A0A075BHV8_DROME Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A075BHV8, Species DROME (Drosophila melanogaster, Fruit fly), Gene fs(1)Yb, Length 1,046 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
1M33.4Very low48.8Very low170 Ų170105.9 Ų105.984%0.83760%0.595SS**  0132.60-75179.1171.100108.9
2E21.9Very low51Low173 Ų173106.4 Ų106.481%0.80859%0.587SS**  trans-73.9159.6153.8-69.4-176.5136.700109.2I4E2-I4 PolarHBondContact O-N 3.45Å; E2-I4 VanDerWaalsContact O-N 3.09Å
3P24.9Very low53.5Low130 Ų130108 Ų10884%0.84458%0.584SS**  trans-64.3111.7174.626.6-34.1000110.3G5P3-G5 PolarHBondContact O-N 2.89Å; P3-G5 VanDerWaalsContact O-N 3.08Å
4I32.4Very low55.3Low110 Ų110104.5 Ų104.556%0.56457%0.568SS**  trans-63.1111.8174.1-59.4173.2000107.9E2 L7E2-I4 PolarHBondContact O-N 3.45Å; E2-I4 VanDerWaalsContact O-N 3.09Å; I4-L7 HydrophobicContact CG2-CD1 3.83Å
5G32.9Very low56.6Low58 Ų58104.4 Ų104.460%0.59857%0.572SS**  trans-58.9152.6175.500000112P3 L7P3-G5 PolarHBondContact O-N 2.89Å; P3-G5 VanDerWaalsContact O-N 3.08Å; G5-L7 PolarHBondContact O-N 2.92Å
6D41.6Very low57.1Low102 Ų102102.5 Ų102.555%0.54557%0.568SS.*  trans-50.3121-174.9-84.3-20.7000112.5Q8 H38 K42D6-Q8 PolarHBondContact O-N 3.43Å; D6-H38 IonicContact OD1-CE1 2.83Å; D6-H38 IonicContact OD1-NE2 2.69Å; D6-H38 PolarHBondContact OD1-NE2 2.77Å; D6-K42 IonicContact OD1-NZ 3.69Å; D6-K42 PolarHBondContact OD1-NZ 3.07Å; D6-K42 IonicContact OD2-NZ 3.96Å; D6-K42 PolarHBondContact OD2-NZ 3.38Å
7L54.3Low57.4Low58 Ų58101.6 Ų101.630%0.30459%0.588SS.*  trans-67.593.1176.7-85.185000109.8I4 G5 V9 D34 F35 H38I4-L7 HydrophobicContact CG2-CD1 3.83Å; G5-L7 PolarHBondContact O-N 2.92Å; L7-V9 PolarHBondContact O-N 2.68Å; L7-D34 HydrophobicContact CD2-CB 4.19Å; L7-F35 HydrophobicContact CD2-CB 4.5Å; L7-H38 HydrophobicContact CD1-CB 4.35Å
8Q59Low57.7Low189 Ų189100 Ų10088%0.88360%0.597SS**  trans-7092.9172.2-68.4-167.2-0.200110.5D6D6-Q8 PolarHBondContact O-N 3.43Å
9V76Confident58.6Low21 Ų2197.4 Ų97.413%0.12758%0.582CS.*  trans-90.9130.8170.3173.20000109.5L7 S11 A24 P26 F35L7-V9 PolarHBondContact O-N 2.68Å; V9-S11 PolarHBondContact O-N 3.1Å; V9-S11 PolarHBondContact O-OG 2.98Å; V9-A24 HydrophobicContact CG1-CB 4.01Å; V9-P26 HydrophobicContact CG1-CB 4.32Å; V9-P26 HydrophobicContact CG1-CG 3.92Å; V9-F35 HydrophobicContact CB-CD2 3.99Å; V9-F35 HydrophobicContact CB-CE2 4.07Å; V9-F35 HydrophobicContact CB-CG 4.44Å; V9-F35 HydrophobicContact CG2-CB 3.95Å; V9-F35 HydrophobicContact CG2-CD2 3.46Å; V9-F35 VanDerWaalsContact CG2-CD2 3.46Å; V9-F35 HydrophobicContact CG2-CE2 4.07Å; V9-F35 HydrophobicContact CG2-CG 3.73Å
10P78.9Confident59.5Low77 Ų7795.4 Ų95.450%0.557%0.57SS.*  trans-52124171.7-26.435000110.8S25P10-S25 PolarHBondContact O-N 2.85Å
11S81.1Confident60.6Low77 Ų7791.5 Ų91.554%0.53855%0.546SS..EExtended strand (participates in β ladder)trans-149.3149.6-175.845.10000112.4V9 Y23V9-S11 PolarHBondContact O-N 3.1Å; V9-S11 PolarHBondContact O-OG 2.98Å; S11-Y23 CarbonylContact C-O 3.57Å; S11-Y23 WeakPolarHBondContact CA-O 3.29Å; S11-Y23 WeakPolarHBondContact CB-O 3.27Å
12F75.3Confident63.1Low112 Ų11284 Ų8449%0.49151%0.51SS..EExtended strand (participates in β ladder)trans-139.9154.5178.263.5-85.4000110V14 Y23F12-V14 HydrophobicContact CD2-CG2 3.75Å; F12-V14 HydrophobicContact CE2-CG2 3.65Å; F12-Y23 HydrophobicContact CD2-CD2 4.33Å; F12-Y23 HydrophobicContact CE1-CG 4.26Å; F12-Y23 AromaticContact CE2-CD2 3.75Å; F12-Y23 HydrophobicContact CE2-CD2 3.75Å; F12-Y23 AromaticContact CE2-CG 3.87Å; F12-Y23 HydrophobicContact CE2-CG 3.87Å; F12-Y23 VanDerWaalsContact CZ-CB 3.46Å; F12-Y23 HydrophobicContact CZ-CD1 4.28Å; F12-Y23 HydrophobicContact CZ-CD2 4.07Å; F12-Y23 AromaticContact CZ-CG 3.68Å; F12-Y23 HydrophobicContact CZ-CG 3.68Å; F12-Y23 PolarHBondContact N-O 2.84Å; F12-Y23 PolarHBondContact O-N 2.91Å
13K83.5Confident66Low127 Ų12778 Ų7855%0.55248%0.48SS*.EExtended strand (participates in β ladder)trans-111.5135.1179.2-60-152.5179.4-152.10111.4T20 F21 T22 E144K13-T20 HydrophobicContact CB-CG2 4.28Å; K13-T20 HydrophobicContact CD-CG2 3.89Å; K13-F21 CarbonylContact C-O 3.54Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.34Å; K13-T22 WeakPolarHBondContact CD-OG1 3.34Å; K13-T22 WeakPolarHBondContact CE-OG1 3.27Å; K13-T22 HydrophobicContact CG-CG2 4.19Å; K13-T22 PolarHBondContact NZ-OG1 2.33Å; K13-E144 IonicContact NZ-OE1 3.5Å; K13-E144 PolarHBondContact NZ-OE1 3.4Å
14V79.4Confident68.9Low59 Ų5971.9 Ų71.936%0.35844%0.44SS..EExtended strand (participates in β ladder)trans-123.7130.9176-176.70000108.3F12 F21 Y23F12-V14 HydrophobicContact CD2-CG2 3.75Å; F12-V14 HydrophobicContact CE2-CG2 3.65Å; V14-F21 PolarHBondContact N-O 3.2Å; V14-F21 PolarHBondContact O-N 2.82Å; V14-Y23 HydrophobicContact CB-CD2 4.49Å; V14-Y23 HydrophobicContact CB-CE2 4.13Å; V14-Y23 HydrophobicContact CG2-CD2 4.03Å; V14-Y23 HydrophobicContact CG2-CE2 3.99Å
15V73.9Confident71.3Confident103 Ų10368.7 Ų68.762%0.62443%0.428SS*.EExtended strand (participates in β ladder)trans-99.7122.2173.4-177.10000108.7T19V15-T19 WeakPolarHBondContact CA-O 3.41Å
16S65.1Low73.7Confident74 Ų7466 Ų6652%0.51740%0.4SS..EExtended strand (participates in β ladder)trans-139.8133.7177.3-1730000110.2G18 T19S16-G18 PolarHBondContact O-N 2.99Å; S16-G18 VanDerWaalsContact O-N 3.11Å; S16-T19 PolarHBondContact N-O 3.12Å; S16-T19 PolarHBondContact O-N 3.47Å
17G61.5Low75.3Confident87 Ų8769.2 Ų69.290%0.89741%0.409SS*.THydrogen-bonded Turntrans57.724.2-17800000114.8T19G17-T19 VanDerWaalsContact C-N 3.27Å; G17-T19 PolarHBondContact O-N 3.46Å
18G64.3Low76.5Confident73 Ų7368.4 Ų68.475%0.75341%0.408SS*.THydrogen-bonded Turntrans79.3-0.2-173.100000115.1S16S16-G18 PolarHBondContact O-N 2.99Å; S16-G18 VanDerWaalsContact O-N 3.11Å
19T73.1Confident77.3Confident50 Ų5061.9 Ų61.931%0.30739%0.392SS..EExtended strand (participates in β ladder)trans-100.6138.3175.6-55.50000110.4V15 S16 G17 F21 M145V15-T19 WeakPolarHBondContact CA-O 3.41Å; S16-T19 PolarHBondContact N-O 3.12Å; S16-T19 PolarHBondContact O-N 3.47Å; G17-T19 VanDerWaalsContact C-N 3.27Å; G17-T19 PolarHBondContact O-N 3.46Å; T19-F21 HydrophobicContact CG2-CD2 4.49Å; T19-F21 HydrophobicContact CG2-CE2 3.95Å; T19-F21 HydrophobicContact CG2-CZ 4.09Å; T19-M145 HydrophobicContact CG2-CB 4.41Å; T19-M145 HydrophobicContact CG2-CE 4.28Å; T19-M145 HydrophobicContact CG2-CG 3.46Å; T19-M145 VanDerWaalsContact CG2-CG 3.46Å
20T76.8Confident77.4Confident58 Ų5863.3 Ų63.336%0.35641%0.406SS..EExtended strand (participates in β ladder)trans-95117.4177-58.10000110.3K13 M145K13-T20 HydrophobicContact CB-CG2 4.28Å; K13-T20 HydrophobicContact CD-CG2 3.89Å; T20-M145 PolarHBondContact O-N 3.13Å
21F82.8Confident77.5Confident13 Ų1360.9 Ų60.96%0.05739%0.392CS..EExtended strand (participates in β ladder)trans-98.6119173.3-65.2-92.4000109.8K13 V14 T19 Y23 F129 L133 M145 V147K13-F21 CarbonylContact C-O 3.54Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.34Å; V14-F21 PolarHBondContact N-O 3.2Å; V14-F21 PolarHBondContact O-N 2.82Å; T19-F21 HydrophobicContact CG2-CD2 4.49Å; T19-F21 HydrophobicContact CG2-CE2 3.95Å; T19-F21 HydrophobicContact CG2-CZ 4.09Å; F21-Y23 HydrophobicContact CB-CD2 4.14Å; F21-Y23 HydrophobicContact CB-CE2 3.56Å; F21-Y23 HydrophobicContact CG-CE2 4.43Å; F21-F129 HydrophobicContact CE1-CZ 4.39Å; F21-L133 HydrophobicContact CE1-CD1 4.38Å; F21-L133 HydrophobicContact CE1-CD2 3.71Å; F21-L133 HydrophobicContact CZ-CD1 3.93Å; F21-L133 HydrophobicContact CZ-CD2 3.7Å; F21-L133 HydrophobicContact CZ-CG 4.49Å; F21-M145 CarbonylContact C-O 3.59Å; F21-M145 WeakPolarHBondContact CA-O 3.46Å; F21-M145 HydrophobicContact CD1-CB 3.38Å; F21-M145 HydrophobicContact CD1-CG 3.95Å; F21-M145 HydrophobicContact CE1-CB 3.58Å; F21-M145 HydrophobicContact CE1-CG 3.62Å; F21-M145 HydrophobicContact CE1-SD 4.36Å; F21-M145 HydrophobicContact CG-CB 4.03Å; F21-M145 HydrophobicContact CZ-CB 4.39Å; F21-M145 HydrophobicContact CZ-CG 4.06Å; F21-V147 HydrophobicContact CD1-CG2 4.2Å
22T86.9Confident77.5Confident14 Ų1457.9 Ų57.99%0.08637%0.371CS..EExtended strand (participates in β ladder)trans-90.2115165.2-50.50000107.8K13 M145 L146 V147K13-T22 WeakPolarHBondContact CD-OG1 3.34Å; K13-T22 WeakPolarHBondContact CE-OG1 3.27Å; K13-T22 HydrophobicContact CG-CG2 4.19Å; K13-T22 PolarHBondContact NZ-OG1 2.33Å; T22-M145 PolarHBondContact N-O 2.97Å; T22-L146 HydrophobicContact CG2-CD1 4.11Å; T22-L146 CarbonylContact O-C 3.51Å; T22-L146 WeakPolarHBondContact O-CA 3.38Å; T22-V147 PolarHBondContact O-N 3.27Å
23Y82.9Confident78.1Confident47 Ų4753.8 Ų53.818%0.18435%0.354CS..EExtended strand (participates in β ladder)trans-90.5132.4169.8-70.9-97.7000108.4S11 F12 V14 F21 V147 T149S11-Y23 CarbonylContact C-O 3.57Å; S11-Y23 WeakPolarHBondContact CA-O 3.29Å; S11-Y23 WeakPolarHBondContact CB-O 3.27Å; F12-Y23 HydrophobicContact CD2-CD2 4.33Å; F12-Y23 HydrophobicContact CE1-CG 4.26Å; F12-Y23 AromaticContact CE2-CD2 3.75Å; F12-Y23 HydrophobicContact CE2-CD2 3.75Å; F12-Y23 AromaticContact CE2-CG 3.87Å; F12-Y23 HydrophobicContact CE2-CG 3.87Å; F12-Y23 VanDerWaalsContact CZ-CB 3.46Å; F12-Y23 HydrophobicContact CZ-CD1 4.28Å; F12-Y23 HydrophobicContact CZ-CD2 4.07Å; F12-Y23 AromaticContact CZ-CG 3.68Å; F12-Y23 HydrophobicContact CZ-CG 3.68Å; F12-Y23 PolarHBondContact N-O 2.84Å; F12-Y23 PolarHBondContact O-N 2.91Å; V14-Y23 HydrophobicContact CB-CD2 4.49Å; V14-Y23 HydrophobicContact CB-CE2 4.13Å; V14-Y23 HydrophobicContact CG2-CD2 4.03Å; V14-Y23 HydrophobicContact CG2-CE2 3.99Å; F21-Y23 HydrophobicContact CB-CD2 4.14Å; F21-Y23 HydrophobicContact CB-CE2 3.56Å; F21-Y23 HydrophobicContact CG-CE2 4.43Å; Y23-V147 WeakPolarHBondContact CA-O 3.32Å; Y23-V147 HydrophobicContact CD1-CB 3.67Å; Y23-V147 HydrophobicContact CD1-CG1 3.6Å; Y23-V147 HydrophobicContact CD1-CG2 4.26Å; Y23-V147 HydrophobicContact CE1-CB 3.82Å; Y23-V147 HydrophobicContact CE1-CG1 3.62Å; Y23-V147 HydrophobicContact CE1-CG2 3.94Å; Y23-V147 HydrophobicContact CG-CB 4.22Å; Y23-T149 HydrophobicContact CD1-CG2 4.26Å
24A85.5Confident78.2Confident1 Ų151 Ų511%0.00835%0.346CS..EExtended strand (participates in β ladder)trans-124.8134.8175.700000109.4V9 P26 F35 L146 V147 T149V9-A24 HydrophobicContact CG1-CB 4.01Å; A24-P26 WeakPolarHBondContact O-CD 3.38Å; A24-F35 HydrophobicContact CB-CE1 3.76Å; A24-F35 HydrophobicContact CB-CZ 3.98Å; A24-L146 HydrophobicContact CB-CD1 4.16Å; A24-V147 PolarHBondContact N-O 3.17Å; A24-T149 PolarHBondContact O-N 3.13Å; A24-T149 PolarHBondContact O-OG1 2.86Å
25S83.3Confident78.5Confident43 Ų4349.6 Ų49.630%0.30133%0.334SS..  trans-122.581-176.1-53.10000110.9P10 T149P10-S25 PolarHBondContact O-N 2.85Å; S25-T149 WeakPolarHBondContact CA-OG1 3.41Å; S25-T149 WeakPolarHBondContact CB-OG1 3.44Å; S25-T149 PolarHBondContact OG-OG1 3.41Å
26P83.4Confident79.1Confident2 Ų244.8 Ų44.81%0.01331%0.305CS..  trans-65.7146.7175-16.331.1000111.1V9 A24 S28 A31 S32 F35 I148V9-P26 HydrophobicContact CG1-CB 4.32Å; V9-P26 HydrophobicContact CG1-CG 3.92Å; A24-P26 WeakPolarHBondContact O-CD 3.38Å; P26-S28 PolarHBondContact O-N 2.86Å; P26-A31 HydrophobicContact CB-CB 4.03Å; P26-S32 WeakPolarHBondContact CB-OG 3.44Å; P26-S32 WeakPolarHBondContact CG-OG 3.3Å; P26-F35 HydrophobicContact CG-CD1 4.4Å; P26-I148 HydrophobicContact CG-CG2 4.13Å
27K75Confident80.2Confident168 Ų16841.3 Ų41.373%0.7328%0.281SS*.SBendtrans-69-14.3-172-61.4-174.1179.4-176.40115.2
28S78.1Confident81.3Confident42 Ų4238.8 Ų38.829%0.29425%0.246SC..SBendtrans-161.3164.217971.80000110.7P26 A30 A31 S32P26-S28 PolarHBondContact O-N 2.86Å; S28-A30 PolarHBondContact O-N 3.43Å; S28-A31 PolarHBondContact O-N 3.27Å; S28-A31 VanDerWaalsContact O-N 3.08Å; S28-A31 PolarHBondContact OG-N 2.89Å; S28-S32 PolarHBondContact O-N 2.81Å; S28-S32 PolarHBondContact O-OG 3.5Å
29G76.5Confident82.2Confident52 Ų5236.2 Ų36.254%0.53622%0.216SC..Hα-helixtrans-58.7-30.9177.700000114.3L33G29-L33 WeakPolarHBondContact O-CG 2.99Å; G29-L33 PolarHBondContact O-N 3.45Å
30A78.6Confident82.8Confident50 Ų5034.8 Ų34.841%0.41321%0.206SC..Hα-helixtrans-68.5-48.6172.700000111.1S28 S32 L33 D34S28-A30 PolarHBondContact O-N 3.43Å; A30-S32 PolarHBondContact O-N 3.17Å; A30-L33 PolarHBondContact O-N 2.83Å; A30-D34 VanDerWaalsContact O-CG 3.24Å; A30-D34 PolarHBondContact O-N 3.24Å
31A79.6Confident83Confident26 Ų2638 Ų3822%0.21521%0.211CC..Hα-helixtrans-60-31.5176.500000112.5P26 S28 F35P26-A31 HydrophobicContact CB-CB 4.03Å; S28-A31 PolarHBondContact O-N 3.27Å; S28-A31 VanDerWaalsContact O-N 3.08Å; S28-A31 PolarHBondContact OG-N 2.89Å; A31-F35 WeakPolarHBondContact O-CB 3.32Å; A31-F35 PolarHBondContact O-N 3.24Å
32S83.1Confident82.6Confident14 Ų1443.4 Ų43.410%0.09824%0.235CC..Hα-helixtrans-62.5-43172.1-62.30000113.1P26 S28 A30 L36P26-S32 WeakPolarHBondContact CB-OG 3.44Å; P26-S32 WeakPolarHBondContact CG-OG 3.3Å; S28-S32 PolarHBondContact O-N 2.81Å; S28-S32 PolarHBondContact O-OG 3.5Å; A30-S32 PolarHBondContact O-N 3.17Å; S32-L36 WeakPolarHBondContact O-CB 3.35Å; S32-L36 PolarHBondContact O-N 3.18Å
33L87.7Confident81.6Confident26 Ų2645.9 Ų45.914%0.13624%0.243CC..Hα-helixtrans-73.8-34.4179.4-67.2163.8000111.9G29 A30 L36 A37 L63 E66 R70G29-L33 WeakPolarHBondContact O-CG 2.99Å; G29-L33 PolarHBondContact O-N 3.45Å; A30-L33 PolarHBondContact O-N 2.83Å; L33-L36 PolarHBondContact O-N 2.79Å; L33-A37 WeakPolarHBondContact O-CB 3.46Å; L33-A37 PolarHBondContact O-N 3.34Å; L33-L63 HydrophobicContact CD2-CD1 3.71Å; L33-E66 HydrophobicContact CD1-CB 4.04Å; L33-E66 HydrophobicContact CD1-CG 4.09Å; L33-E66 VanDerWaalsContact CD1-OE2 3.32Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.48Å; L33-E66 HydrophobicContact CD2-CB 3.93Å; L33-R70 VanDerWaalsContact CB-CZ 3.49Å
34D83.9Confident80.2Confident70 Ų7050.4 Ų50.437%0.37427%0.266SS..Hα-helixtrans-71.9-42176.8-58.6-23.6000111.4L7 A30 L36 A37 H38 R70L7-D34 HydrophobicContact CD2-CB 4.19Å; A30-D34 VanDerWaalsContact O-CG 3.24Å; A30-D34 PolarHBondContact O-N 3.24Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-A37 PolarHBondContact O-N 3.29Å; D34-H38 WeakPolarHBondContact O-CB 3.5Å; D34-H38 PolarHBondContact O-N 3.36Å; D34-R70 IonicContact OD1-CZ 2.66Å; D34-R70 IonicContact OD1-NE 3.27Å; D34-R70 PolarHBondContact OD1-NE 3.04Å; D34-R70 IonicContact OD1-NH2 3.66Å; D34-R70 PolarHBondContact OD1-NH2 3.05Å
35F85.8Confident78.7Confident28 Ų2853.8 Ų53.812%0.12329%0.293CS..Hα-helixtrans-61-42.2170.2171.2-108.2000111.6L7 V9 A24 P26 A31 H38 T39 L146 I148L7-F35 HydrophobicContact CD2-CB 4.5Å; V9-F35 HydrophobicContact CB-CD2 3.99Å; V9-F35 HydrophobicContact CB-CE2 4.07Å; V9-F35 HydrophobicContact CB-CG 4.44Å; V9-F35 HydrophobicContact CG2-CB 3.95Å; V9-F35 HydrophobicContact CG2-CD2 3.46Å; V9-F35 VanDerWaalsContact CG2-CD2 3.46Å; V9-F35 HydrophobicContact CG2-CE2 4.07Å; V9-F35 HydrophobicContact CG2-CG 3.73Å; A24-F35 HydrophobicContact CB-CE1 3.76Å; A24-F35 HydrophobicContact CB-CZ 3.98Å; P26-F35 HydrophobicContact CG-CD1 4.4Å; A31-F35 WeakPolarHBondContact O-CB 3.32Å; A31-F35 PolarHBondContact O-N 3.24Å; F35-H38 PolarHBondContact O-N 2.86Å; F35-T39 WeakPolarHBondContact O-CB 3.28Å; F35-T39 PolarHBondContact O-N 2.98Å; F35-T39 PolarHBondContact O-OG1 2.76Å; F35-L146 HydrophobicContact CE1-CD2 4.27Å; F35-I148 HydrophobicContact CD1-CD1 4.24Å; F35-I148 HydrophobicContact CE1-CD1 4.47Å; F35-I148 HydrophobicContact CE1-CG1 4.45Å
36L88.1Confident77.2Confident3 Ų357.9 Ų57.92%0.01631%0.312CS..Hα-helixtrans-65.4-44.4177.5-173.960.2000111.9S32 L33 D34 T39 L40 L52 L63 L67 I119 T121 I148S32-L36 WeakPolarHBondContact O-CB 3.35Å; S32-L36 PolarHBondContact O-N 3.18Å; L33-L36 PolarHBondContact O-N 2.79Å; D34-L36 VanDerWaalsContact C-N 3.34Å; L36-T39 PolarHBondContact O-N 3.35Å; L36-L40 HydrophobicContact CD1-CD1 4.28Å; L36-L40 HydrophobicContact CG-CD1 4.09Å; L36-L40 WeakPolarHBondContact O-CB 3.5Å; L36-L40 VanDerWaalsContact O-CG 3.28Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 3.06Å; L36-L52 HydrophobicContact CD1-CD2 3.74Å; L36-L52 HydrophobicContact CD2-CD2 3.99Å; L36-L52 HydrophobicContact CG-CD2 4.23Å; L36-L63 HydrophobicContact CD2-CD1 3.72Å; L36-L67 HydrophobicContact CD2-CD1 4.19Å; L36-L67 HydrophobicContact CD2-CD2 4.19Å; L36-L67 HydrophobicContact CG-CD2 4.13Å; L36-I119 HydrophobicContact CD1-CD1 3.56Å; L36-I119 HydrophobicContact CD1-CG2 3.87Å; L36-T121 HydrophobicContact CD2-CG2 3.9Å; L36-I148 HydrophobicContact CB-CD1 4.29Å; L36-I148 HydrophobicContact CD1-CD1 4.03Å
37A87.1Confident75.9Confident1 Ų162.1 Ų62.11%0.00834%0.338CS..Hα-helixtrans-63.6-43.9175.500000111.6L33 D34 L40 R41 L67 R70 V72L33-A37 WeakPolarHBondContact O-CB 3.46Å; L33-A37 PolarHBondContact O-N 3.34Å; D34-A37 PolarHBondContact O-N 3.29Å; A37-L40 PolarHBondContact O-N 2.94Å; A37-R41 WeakPolarHBondContact O-CG 3.12Å; A37-R41 PolarHBondContact O-N 3.41Å; A37-L67 HydrophobicContact CB-CD2 4.14Å; A37-R70 HydrophobicContact CB-CB 3.79Å; A37-R70 HydrophobicContact CB-CG 4.45Å; A37-V72 HydrophobicContact CB-CG2 3.87Å
38H84.4Confident75.7Confident34 Ų3457.3 Ų57.316%0.15732%0.318CS..Hα-helixtrans-58.7-46.9172.6179.295.6000111.8D6 L7 D34 F35 L40 R41 K42D6-H38 IonicContact OD1-CE1 2.83Å; D6-H38 IonicContact OD1-NE2 2.69Å; D6-H38 PolarHBondContact OD1-NE2 2.77Å; L7-H38 HydrophobicContact CD1-CB 4.35Å; D34-H38 WeakPolarHBondContact O-CB 3.5Å; D34-H38 PolarHBondContact O-N 3.36Å; F35-H38 PolarHBondContact O-N 2.86Å; H38-L40 VanDerWaalsContact C-N 3.31Å; H38-L40 PolarHBondContact O-N 2.78Å; H38-R41 PolarHBondContact O-N 3.35Å; H38-K42 WeakPolarHBondContact NE2-CD 3.4Å; H38-K42 VanDerWaalsContact O-CB 3.29Å; H38-K42 WeakPolarHBondContact O-CB 3.09Å; H38-K42 PolarHBondContact O-N 2.83Å
39T84.2Confident75.9Confident19 Ų1957.1 Ų57.112%0.11731%0.312CS..Hα-helixtrans-56.9-43176.7-58.10000112F35 L36 R43 L117 I119 L146F35-T39 WeakPolarHBondContact O-CB 3.28Å; F35-T39 PolarHBondContact O-N 2.98Å; F35-T39 PolarHBondContact O-OG1 2.76Å; L36-T39 PolarHBondContact O-N 3.35Å; T39-R43 PolarHBondContact O-N 3.49Å; T39-L117 HydrophobicContact CG2-CD2 4.41Å; T39-I119 HydrophobicContact CG2-CD1 4.46Å; T39-L146 HydrophobicContact CG2-CD2 4.18Å
40L85.3Confident76.5Confident19 Ų1955 Ų5510%0.09929%0.289CS..Hα-helixtrans-76.9-22.5-179.8-67.4169.5000113.8L36 A37 H38 T50 L52 L67 V72 A99 I119L36-L40 HydrophobicContact CD1-CD1 4.28Å; L36-L40 HydrophobicContact CG-CD1 4.09Å; L36-L40 WeakPolarHBondContact O-CB 3.5Å; L36-L40 VanDerWaalsContact O-CG 3.28Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 3.06Å; A37-L40 PolarHBondContact O-N 2.94Å; H38-L40 VanDerWaalsContact C-N 3.31Å; H38-L40 PolarHBondContact O-N 2.78Å; L40-T50 HydrophobicContact CD2-CG2 3.73Å; L40-L52 HydrophobicContact CD1-CD1 4.04Å; L40-L52 HydrophobicContact CD1-CD2 4.28Å; L40-L67 HydrophobicContact CD1-CD1 3.93Å; L40-L67 HydrophobicContact CD1-CD2 4.2Å; L40-V72 HydrophobicContact CB-CG1 3.76Å; L40-V72 HydrophobicContact CD1-CG1 3.83Å; L40-V72 HydrophobicContact CG-CG1 4.43Å; L40-A99 HydrophobicContact CD2-CB 3.92Å; L40-I119 HydrophobicContact CD2-CD1 4.26Å
41R80.6Confident77Confident125 Ų12552.7 Ų52.747%0.47227%0.269SS..Hα-helixtrans-87.1-26.7173.2-68.2-169.1-135.2123.5-6.3113.5A37 H38 R70 V72A37-R41 WeakPolarHBondContact O-CG 3.12Å; A37-R41 PolarHBondContact O-N 3.41Å; H38-R41 PolarHBondContact O-N 3.35Å; R41-R70 PolarHBondContact NE-O 3.18Å; R41-R70 PolarHBondContact NH2-O 3.05Å; R41-V72 HydrophobicContact CG-CG2 3.91Å
42K73.9Confident77.6Confident128 Ų12851.4 Ų51.456%0.55726%0.259SS*.Hα-helixtrans-81.5-21.1-177.7-171.3166.3-176.3173.20113.3D6 H38D6-K42 IonicContact OD1-NZ 3.69Å; D6-K42 PolarHBondContact OD1-NZ 3.07Å; D6-K42 IonicContact OD2-NZ 3.96Å; D6-K42 PolarHBondContact OD2-NZ 3.38Å; H38-K42 WeakPolarHBondContact NE2-CD 3.4Å; H38-K42 VanDerWaalsContact O-CB 3.29Å; H38-K42 WeakPolarHBondContact O-CB 3.09Å; H38-K42 PolarHBondContact O-N 2.83Å
43R67.1Low78.1Confident65 Ų6550.8 Ų50.825%0.24525%0.254CS..SBendtrans-89.1138.1169.5-71.5166.4178.8-104.79.1109.3T39 A45 E48 E144T39-R43 PolarHBondContact O-N 3.49Å; R43-A45 PolarHBondContact O-N 3.2Å; R43-E48 WeakPolarHBondContact CD-OE2 3.23Å; R43-E48 VanDerWaalsContact CG-OE2 3.3Å; R43-E48 WeakPolarHBondContact CG-OE2 3.34Å; R43-E48 IonicContact CZ-OE2 3.15Å; R43-E48 IonicContact NE-OE2 3.85Å; R43-E48 IonicContact NH1-OE1 3.54Å; R43-E48 IonicContact NH1-OE2 3.87Å; R43-E48 PolarHBondContact NH1-OE2 2.86Å; R43-E144 IonicContact CZ-OE2 2.93Å; R43-E144 IonicContact NH2-OE2 2.65Å; R43-E144 PolarHBondContact NH2-OE2 2.8Å
44E52.9Low78.2Confident142 Ų14249.6 Ų49.666%0.66425%0.248SC*.  trans-65.9114.7-176-77.7-176.9168.600111.6N46 T47 E48E44-N46 PolarHBondContact O-N 3.35Å; E44-T47 WeakPolarHBondContact CB-OG1 3.42Å; E44-T47 PolarHBondContact O-N 3.41Å; E44-T47 VanDerWaalsContact O-N 3.12Å; E44-T47 PolarHBondContact O-OG1 3.02Å; E44-T47 PolarHBondContact OE2-OG1 3.15Å; E44-E48 PolarHBondContact O-N 3.48Å
45A53.3Low78.4Confident72 Ų7249 Ų4960%0.59524%0.243SC*.THydrogen-bonded Turntrans-69.521.6-175.600000115.4R43 N97R43-A45 PolarHBondContact O-N 3.2Å; A45-N97 WeakPolarHBondContact O-CB 3.46Å
46N52.3Low78.5Confident130 Ų13052.1 Ų52.170%0.69526%0.258SS*.THydrogen-bonded Turntrans-132.5-6.9175-79.3-38.2000113.9E44 N97E44-N46 PolarHBondContact O-N 3.35Å; N46-N97 PolarHBondContact OD1-ND2 3.28Å
47T56.8Low78.3Confident90 Ų9053.9 Ų53.955%0.55227%0.268SS*.THydrogen-bonded Turntrans-125.4-27.6-173.648.20000113.9E44E44-T47 WeakPolarHBondContact CB-OG1 3.42Å; E44-T47 PolarHBondContact O-N 3.41Å; E44-T47 VanDerWaalsContact O-N 3.12Å; E44-T47 PolarHBondContact O-OG1 3.02Å; E44-T47 PolarHBondContact OE2-OG1 3.15Å
48E70Confident78.1Confident68 Ų6859.8 Ų59.832%0.31829%0.294SS..  trans-110.2122.2179.1-67.1-166.9173.200114.2R43 E44 T50 N116R43-E48 WeakPolarHBondContact CD-OE2 3.23Å; R43-E48 VanDerWaalsContact CG-OE2 3.3Å; R43-E48 WeakPolarHBondContact CG-OE2 3.34Å; R43-E48 IonicContact CZ-OE2 3.15Å; R43-E48 IonicContact NE-OE2 3.85Å; R43-E48 IonicContact NH1-OE1 3.54Å; R43-E48 IonicContact NH1-OE2 3.87Å; R43-E48 PolarHBondContact NH1-OE2 2.86Å; E44-E48 PolarHBondContact O-N 3.48Å; E48-T50 PolarHBondContact O-N 2.87Å; E48-N116 HydrophobicContact CB-CB 4.17Å; E48-N116 HydrophobicContact CG-CB 4.31Å
49K83.2Confident78.3Confident37 Ų3759.6 Ų59.616%0.16129%0.293CS..  trans-83.3108.2174-72.6172.2-170.8162.70110.4W91 S92 E114 A115 N116 L117K49-W91 HydrophobicContact CB-CH2 3.74Å; K49-W91 HydrophobicContact CB-CZ2 3.79Å; K49-W91 HydrophobicContact CB-CZ3 4.47Å; K49-W91 HydrophobicContact CG-CH2 4.39Å; K49-W91 HydrophobicContact CG-CZ2 4.3Å; K49-S92 PolarHBondContact NZ-O 3.06Å; K49-E114 WeakPolarHBondContact CD-O 3.26Å; K49-A115 CarbonylContact O-C 3.6Å; K49-N116 PolarHBondContact N-OD1 2.94Å; K49-N116 PolarHBondContact O-N 2.87Å; K49-L117 PolarHBondContact O-N 3.05Å
50T87.9Confident78.5Confident9 Ų958.7 Ų58.76%0.05529%0.287CS..EExtended strand (participates in β ladder)trans-104.7134.7178.7-59.90000112.6L40 E48 A99 L100 L117 I119L40-T50 HydrophobicContact CD2-CG2 3.73Å; E48-T50 PolarHBondContact O-N 2.87Å; T50-A99 HydrophobicContact CG2-CB 4.41Å; T50-A99 WeakPolarHBondContact O-CA 3.4Å; T50-L100 PolarHBondContact O-N 3.3Å; T50-L117 WeakPolarHBondContact CA-O 3.43Å; T50-L117 HydrophobicContact CG2-CB 4.18Å; T50-L117 HydrophobicContact CG2-CD2 3.88Å; T50-L117 HydrophobicContact CG2-CG 4.13Å; T50-I119 HydrophobicContact CG2-CD1 3.88Å; T50-I119 HydrophobicContact CG2-CG1 4.07Å
51I90.7Very high78.6Confident0 Ų062.6 Ų62.60%031%0.305CS..EExtended strand (participates in β ladder)trans-109.1139.1172.4-59172.5000109.6I53 W91 L100 L102 L110 V113 A115 L117 V118 I119I51-I53 HydrophobicContact CG2-CD1 4.25Å; I51-I53 HydrophobicContact CG2-CG1 3.78Å; I51-W91 HydrophobicContact CD1-CH2 4.04Å; I51-W91 HydrophobicContact CD1-CZ3 4.44Å; I51-W91 HydrophobicContact CG1-CH2 3.58Å; I51-W91 HydrophobicContact CG1-CZ2 4.15Å; I51-W91 HydrophobicContact CG1-CZ3 4.37Å; I51-L100 CarbonylContact C-O 3.53Å; I51-L100 WeakPolarHBondContact CA-O 3.27Å; I51-L102 HydrophobicContact CG2-CD2 3.72Å; I51-L102 HydrophobicContact CG2-CG 4.24Å; I51-L110 HydrophobicContact CD1-CD2 3.72Å; I51-V113 HydrophobicContact CD1-CG2 4.22Å; I51-A115 HydrophobicContact CD1-CB 3.53Å; I51-A115 HydrophobicContact CG1-CB 3.96Å; I51-L117 PolarHBondContact N-O 3.38Å; I51-V118 HydrophobicContact CB-CG2 4.32Å; I51-V118 HydrophobicContact CD1-CG2 4.45Å; I51-I119 PolarHBondContact O-N 3.47Å
52L92.4Very high78.9Confident0 Ų064.3 Ų64.30%031%0.311CS..EExtended strand (participates in β ladder)trans-119.3118.3178.8-70.9148.3000108.4L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121L36-L52 HydrophobicContact CD1-CD2 3.74Å; L36-L52 HydrophobicContact CD2-CD2 3.99Å; L36-L52 HydrophobicContact CG-CD2 4.23Å; L40-L52 HydrophobicContact CD1-CD1 4.04Å; L40-L52 HydrophobicContact CD1-CD2 4.28Å; L52-L63 HydrophobicContact CB-CD2 4.35Å; L52-L63 HydrophobicContact CD2-CD2 4.46Å; L52-L67 HydrophobicContact CD1-CD1 4.26Å; L52-T74 HydrophobicContact CD1-CG2 4.26Å; L52-A99 HydrophobicContact CD1-CB 3.69Å; L52-L100 PolarHBondContact N-O 3.4Å; L52-I101 HydrophobicContact CB-CB 4.29Å; L52-I101 HydrophobicContact CB-CG1 3.8Å; L52-I101 HydrophobicContact CB-CG2 4.47Å; L52-I101 HydrophobicContact CD1-CD1 4.34Å; L52-I101 HydrophobicContact CD1-CG1 3.56Å; L52-I101 HydrophobicContact CG-CG1 4.3Å; L52-I101 WeakPolarHBondContact O-CA 3.49Å; L52-L102 PolarHBondContact O-N 2.88Å; L52-I119 HydrophobicContact CD2-CB 4.06Å; L52-I119 HydrophobicContact CD2-CD1 4.01Å; L52-I119 HydrophobicContact CD2-CG1 4.47Å; L52-I119 HydrophobicContact CD2-CG2 4.45Å; L52-T121 HydrophobicContact CD2-CG2 4.03Å
53I91.7Very high79.6Confident0 Ų058.9 Ų58.90%029%0.288CS..EExtended strand (participates in β ladder)trans-116116.2-172.1-51.2179.5000110.8I51 L102 L107 V118 I119 T121 L136I51-I53 HydrophobicContact CG2-CD1 4.25Å; I51-I53 HydrophobicContact CG2-CG1 3.78Å; I53-L102 WeakPolarHBondContact CA-O 3.44Å; I53-L102 HydrophobicContact CG1-CD1 4.19Å; I53-L102 HydrophobicContact CG2-CD1 4.31Å; I53-L107 HydrophobicContact CD1-CD2 4.17Å; I53-V118 HydrophobicContact CD1-CG1 3.43Å; I53-V118 VanDerWaalsContact CD1-CG1 3.43Å; I53-V118 HydrophobicContact CG1-CG1 4.13Å; I53-I119 PolarHBondContact N-O 2.96Å; I53-T121 PolarHBondContact O-N 3.43Å; I53-T121 PolarHBondContact O-OG1 3.37Å; I53-L136 HydrophobicContact CD1-CD1 3.72Å; I53-L136 HydrophobicContact CD1-CD2 3.82Å; I53-L136 HydrophobicContact CD1-CG 4.3Å
54C91.2Very high80.8Confident1 Ų159.7 Ų59.71%0.00729%0.294CS..EExtended strand (participates in β ladder)trans-101.6166.9169.5-43.10000110.9E59 A60 L102 C103 D104 T121 T122C54-E59 HydrophobicContact CB-CB 3.69Å; C54-A60 HydrophobicContact CB-CB 4.25Å; C54-L102 PolarHBondContact N-O 3.43Å; C54-C103 CarbonylContact O-C 3.51Å; C54-C103 VanDerWaalsContact O-CA 3.26Å; C54-C103 WeakPolarHBondContact O-CA 3.28Å; C54-D104 PolarHBondContact O-N 3.05Å; C54-D104 VanDerWaalsContact O-N 3.12Å; C54-T121 PolarHBondContact SG-OG1 2.95Å; C54-T122 WeakPolarHBondContact CA-OG1 3.49Å
55Q88.6Confident82.4Confident58 Ų5858.9 Ų58.927%0.27129%0.288SS..SBendtrans-77.2-49.1174.5-170.3-176.148.100110.4E59 D104 T122 P124Q55-E59 PolarHBondContact N-OE2 3.49Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.44Å; Q55-D104 PolarHBondContact O-N 3.33Å; Q55-T122 PolarHBondContact N-OG1 2.93Å; Q55-P124 HydrophobicContact CG-CB 4.29Å; Q55-P124 VanDerWaalsContact NE2-CB 3.35Å
56Q86.1Confident84.1Confident93 Ų9356.8 Ų56.844%0.43527%0.266SS..SBendtrans-118.6156-174.1-54.8-173.954.600113.4F58 E59 A60Q56-F58 VanDerWaalsContact C-N 3.3Å; Q56-F58 HydrophobicContact CB-CD1 3.8Å; Q56-F58 HydrophobicContact CB-CE1 3.76Å; Q56-F58 HydrophobicContact CG-CE1 4.24Å; Q56-F58 PolarHBondContact O-N 3.47Å; Q56-E59 HydrophobicContact CB-CG 4.4Å; Q56-E59 VanDerWaalsContact CB-OE1 3.25Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.28Å; Q56-E59 VanDerWaalsContact CG-OE1 3.31Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.32Å; Q56-E59 PolarHBondContact N-OE1 2.94Å; Q56-E59 VanDerWaalsContact N-OE1 3.11Å; Q56-E59 PolarHBondContact N-OE2 2.87Å; Q56-E59 WeakPolarHBondContact O-CB 3.34Å; Q56-E59 PolarHBondContact O-N 3.35Å; Q56-E59 VanDerWaalsContact O-N 3.17Å; Q56-A60 PolarHBondContact O-N 3.04Å
57N85.5Confident85.7Confident41 Ų4150.6 Ų50.622%0.21923%0.233CC..Hα-helixtrans-63.3-32.4-178.3-179.969.9000113.3E59 A60 E61 P79N57-E59 VanDerWaalsContact C-N 3.29Å; N57-E59 PolarHBondContact O-N 3.28Å; N57-A60 WeakPolarHBondContact O-CB 3.44Å; N57-A60 PolarHBondContact O-N 2.89Å; N57-E61 VanDerWaalsContact ND2-CD 3.3Å; N57-E61 PolarHBondContact ND2-OE1 3.19Å; N57-E61 WeakPolarHBondContact O-CG 3.25Å; N57-E61 PolarHBondContact O-N 2.63Å; N57-P79 HydrophobicContact CB-CG 4.01Å; N57-P79 WeakPolarHBondContact OD1-CD 3.32Å
58F82.8Confident87Confident125 Ų12548.8 Ų48.855%0.54823%0.227SC..Hα-helixtrans-68.5-30.9177.880.9-98.3000112.1Q56 R62Q56-F58 VanDerWaalsContact C-N 3.3Å; Q56-F58 HydrophobicContact CB-CD1 3.8Å; Q56-F58 HydrophobicContact CB-CE1 3.76Å; Q56-F58 HydrophobicContact CG-CE1 4.24Å; Q56-F58 PolarHBondContact O-N 3.47Å; F58-R62 WeakPolarHBondContact O-CB 3.28Å; F58-R62 PolarHBondContact O-N 3.16Å
59E88Confident87.6Confident29 Ų2951.5 Ų51.514%0.13624%0.24CC..Hα-helixtrans-66.6-44172.2-62158.8-137.700109.8C54 Q55 Q56 N57 R62 L63 T122C54-E59 HydrophobicContact CB-CB 3.69Å; Q55-E59 PolarHBondContact N-OE2 3.49Å; Q56-E59 HydrophobicContact CB-CG 4.4Å; Q56-E59 VanDerWaalsContact CB-OE1 3.25Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.28Å; Q56-E59 VanDerWaalsContact CG-OE1 3.31Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.32Å; Q56-E59 PolarHBondContact N-OE1 2.94Å; Q56-E59 VanDerWaalsContact N-OE1 3.11Å; Q56-E59 PolarHBondContact N-OE2 2.87Å; Q56-E59 WeakPolarHBondContact O-CB 3.34Å; Q56-E59 PolarHBondContact O-N 3.35Å; Q56-E59 VanDerWaalsContact O-N 3.17Å; N57-E59 VanDerWaalsContact C-N 3.29Å; N57-E59 PolarHBondContact O-N 3.28Å; E59-R62 PolarHBondContact O-N 2.74Å; E59-L63 WeakPolarHBondContact O-CB 3.43Å; E59-L63 PolarHBondContact O-N 3.36Å; E59-T122 WeakPolarHBondContact OE2-CB 3.3Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.27Å; E59-T122 PolarHBondContact OE2-OG1 3.17Å
60A87.4Confident87.8Confident0 Ų051.8 Ų51.80%024%0.24CC..Hα-helixtrans-64.6-39.4178.200000112.7C54 Q56 N57 K64 L76 I101C54-A60 HydrophobicContact CB-CB 4.25Å; Q56-A60 PolarHBondContact O-N 3.04Å; N57-A60 WeakPolarHBondContact O-CB 3.44Å; N57-A60 PolarHBondContact O-N 2.89Å; A60-K64 PolarHBondContact O-N 3.08Å; A60-K64 VanDerWaalsContact O-N 3.12Å; A60-L76 HydrophobicContact CB-CD1 3.53Å; A60-I101 HydrophobicContact CB-CG2 3.77Å
61E87.1Confident87.4Confident102 Ų10257 Ų5748%0.47727%0.268SS..Hα-helixtrans-65.4-44.6171.7-75.9175.9-17500112.2N57 F65 L76N57-E61 VanDerWaalsContact ND2-CD 3.3Å; N57-E61 PolarHBondContact ND2-OE1 3.19Å; N57-E61 WeakPolarHBondContact O-CG 3.25Å; N57-E61 PolarHBondContact O-N 2.63Å; E61-F65 PolarHBondContact O-N 3.46Å; E61-L76 HydrophobicContact CB-CD2 4.4Å; E61-L76 HydrophobicContact CG-CD2 3.49Å; E61-L76 VanDerWaalsContact CG-CD2 3.49Å
62R87.9Confident87Confident161 Ų16157.6 Ų57.661%0.60827%0.271SS*.Hα-helixtrans-63.2-46.9175.2179.6179.7175.6-173.2-2.2111.4F58 E59 K64 F65 E66F58-R62 WeakPolarHBondContact O-CB 3.28Å; F58-R62 PolarHBondContact O-N 3.16Å; E59-R62 PolarHBondContact O-N 2.74Å; R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.24Å; R62-F65 WeakPolarHBondContact O-CB 3.14Å; R62-F65 PolarHBondContact O-N 3.42Å; R62-E66 HydrophobicContact CG-CG 3.89Å; R62-E66 IonicContact CZ-OE1 3.93Å; R62-E66 VanDerWaalsContact CZ-OE1 3.25Å; R62-E66 IonicContact NE-OE1 3.39Å; R62-E66 PolarHBondContact NE-OE1 2.9Å; R62-E66 IonicContact NH2-OE1 2.94Å; R62-E66 PolarHBondContact NH2-OE1 2.87Å; R62-E66 VanDerWaalsContact O-CG 3.26Å; R62-E66 WeakPolarHBondContact O-CG 3.1Å; R62-E66 PolarHBondContact O-N 3.47Å
63L88.9Confident86.5Confident13 Ų1363.1 Ų63.17%0.06830%0.301CS..Hα-helixtrans-59.5-41.1-178.8-178.265.2000111.4L33 L36 L52 E59 F65 E66 L67 I101 T121L33-L63 HydrophobicContact CD2-CD1 3.71Å; L36-L63 HydrophobicContact CD2-CD1 3.72Å; L52-L63 HydrophobicContact CB-CD2 4.35Å; L52-L63 HydrophobicContact CD2-CD2 4.46Å; E59-L63 WeakPolarHBondContact O-CB 3.43Å; E59-L63 PolarHBondContact O-N 3.36Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 3.36Å; L63-E66 PolarHBondContact O-N 2.77Å; L63-L67 HydrophobicContact CD1-CD1 4.06Å; L63-L67 HydrophobicContact CD1-CG 4.2Å; L63-L67 HydrophobicContact CG-CD1 3.98Å; L63-L67 HydrophobicContact CG-CG 4.48Å; L63-L67 WeakPolarHBondContact O-CB 3.36Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 2.96Å; L63-I101 HydrophobicContact CD2-CD1 4.4Å; L63-I101 HydrophobicContact CD2-CG1 4.44Å; L63-I101 HydrophobicContact CD2-CG2 4.1Å; L63-I101 HydrophobicContact CG-CD1 4.28Å; L63-T121 HydrophobicContact CD2-CG2 3.81Å
64K91.1Very high86.3Confident82 Ų8263.3 Ų63.336%0.35730%0.302SS..Hα-helixtrans-59.5-41.9173.7175.3162.1176.2155.30112.1A60 R62 A68 T74 L76 I101A60-K64 PolarHBondContact O-N 3.08Å; A60-K64 VanDerWaalsContact O-N 3.12Å; R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.24Å; K64-A68 WeakPolarHBondContact O-CB 3.47Å; K64-A68 PolarHBondContact O-N 3.26Å; K64-T74 VanDerWaalsContact CE-O 3.28Å; K64-T74 WeakPolarHBondContact CE-O 3.49Å; K64-T74 PolarHBondContact NZ-O 3.28Å; K64-L76 HydrophobicContact CD-CB 3.75Å; K64-I101 HydrophobicContact CB-CD1 3.78Å
65F86.9Confident86.3Confident126 Ų12664.9 Ų64.955%0.55331%0.31SS*.Hα-helixtrans-67.7-50.1178.5-174.7-91.7000111.5E61 R62 L63 L67 A68 E69E61-F65 PolarHBondContact O-N 3.46Å; R62-F65 WeakPolarHBondContact O-CB 3.14Å; R62-F65 PolarHBondContact O-N 3.42Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 3.36Å; F65-L67 VanDerWaalsContact C-N 3.26Å; F65-L67 PolarHBondContact O-N 2.78Å; F65-A68 WeakPolarHBondContact O-CB 3.4Å; F65-A68 PolarHBondContact O-N 3.13Å; F65-E69 HydrophobicContact CD1-CG 4.33Å; F65-E69 HydrophobicContact CE1-CG 3.92Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.28Å; F65-E69 WeakPolarHBondContact CE1-OE2 3.26Å; F65-E69 HydrophobicContact CZ-CG 4.23Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.49Å; F65-E69 PolarHBondContact O-N 2.85Å
66E89.4Confident86.3Confident27 Ų2763.6 Ų63.613%0.12631%0.305CS..Hα-helixtrans-61.1-31179.5-65-96.3-162.100113.1L33 R62 L63 R70L33-E66 HydrophobicContact CD1-CB 4.04Å; L33-E66 HydrophobicContact CD1-CG 4.09Å; L33-E66 VanDerWaalsContact CD1-OE2 3.32Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.48Å; L33-E66 HydrophobicContact CD2-CB 3.93Å; R62-E66 HydrophobicContact CG-CG 3.89Å; R62-E66 IonicContact CZ-OE1 3.93Å; R62-E66 VanDerWaalsContact CZ-OE1 3.25Å; R62-E66 IonicContact NE-OE1 3.39Å; R62-E66 PolarHBondContact NE-OE1 2.9Å; R62-E66 IonicContact NH2-OE1 2.94Å; R62-E66 PolarHBondContact NH2-OE1 2.87Å; R62-E66 VanDerWaalsContact O-CG 3.26Å; R62-E66 WeakPolarHBondContact O-CG 3.1Å; R62-E66 PolarHBondContact O-N 3.47Å; L63-E66 PolarHBondContact O-N 2.77Å; E66-R70 VanDerWaalsContact O-CD 3.29Å; E66-R70 WeakPolarHBondContact O-CD 3.33Å; E66-R70 WeakPolarHBondContact O-CG 3.36Å; E66-R70 PolarHBondContact O-NH1 3.1Å; E66-R70 IonicContact OE2-CZ 2.74Å; E66-R70 IonicContact OE2-NH1 3.25Å; E66-R70 PolarHBondContact OE2-NH1 2.8Å
67L86Confident86.2Confident0 Ų059.2 Ų59.20%028%0.284CS..Hα-helixtrans-79.9-32.2173.2-74.5176000112.7L36 A37 L40 L52 L63 F65 R70 D71 V72 T74 I101L36-L67 HydrophobicContact CD2-CD1 4.19Å; L36-L67 HydrophobicContact CD2-CD2 4.19Å; L36-L67 HydrophobicContact CG-CD2 4.13Å; A37-L67 HydrophobicContact CB-CD2 4.14Å; L40-L67 HydrophobicContact CD1-CD1 3.93Å; L40-L67 HydrophobicContact CD1-CD2 4.2Å; L52-L67 HydrophobicContact CD1-CD1 4.26Å; L63-L67 HydrophobicContact CD1-CD1 4.06Å; L63-L67 HydrophobicContact CD1-CG 4.2Å; L63-L67 HydrophobicContact CG-CD1 3.98Å; L63-L67 HydrophobicContact CG-CG 4.48Å; L63-L67 WeakPolarHBondContact O-CB 3.36Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 2.96Å; F65-L67 VanDerWaalsContact C-N 3.26Å; F65-L67 PolarHBondContact O-N 2.78Å; L67-R70 CarbonylContact O-C 3.4Å; L67-R70 WeakPolarHBondContact O-CA 3.41Å; L67-R70 PolarHBondContact O-N 2.74Å; L67-R70 VanDerWaalsContact O-N 3.08Å; L67-D71 PolarHBondContact O-N 3.19Å; L67-V72 HydrophobicContact CB-CB 4.25Å; L67-V72 HydrophobicContact CD2-CB 4.46Å; L67-V72 PolarHBondContact O-N 3.32Å; L67-T74 HydrophobicContact CB-CG2 4.45Å; L67-T74 HydrophobicContact CD1-CG2 3.97Å; L67-I101 HydrophobicContact CD1-CD1 4.3Å
68A83.9Confident85.7Confident53 Ų5359.8 Ų59.844%0.43829%0.29SS..Hα-helixtrans-69.2-36.8174.600000112.3K64 F65 R70 D71K64-A68 WeakPolarHBondContact O-CB 3.47Å; K64-A68 PolarHBondContact O-N 3.26Å; F65-A68 WeakPolarHBondContact O-CB 3.4Å; F65-A68 PolarHBondContact O-N 3.13Å; A68-R70 PolarHBondContact O-N 3.42Å; A68-R70 VanDerWaalsContact O-N 3.15Å; A68-D71 PolarHBondContact O-N 3.02Å; A68-D71 VanDerWaalsContact O-N 3.17Å
69E83.3Confident84.9Confident125 Ų12555.8 Ų55.858%0.58428%0.277SS*.THydrogen-bonded Turntrans-65.1-9.8169-69.1-171.3139.300113.2F65F65-E69 HydrophobicContact CD1-CG 4.33Å; F65-E69 HydrophobicContact CE1-CG 3.92Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.28Å; F65-E69 WeakPolarHBondContact CE1-OE2 3.26Å; F65-E69 HydrophobicContact CZ-CG 4.23Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.49Å; F65-E69 PolarHBondContact O-N 2.85Å
70R86Confident83.8Confident43 Ų4363.2 Ų63.216%0.16231%0.311CS..THydrogen-bonded Turntrans-112.724.2176.6-65171.1171.984.4-2112.1L33 D34 A37 R41 E66 L67 A68 V72L33-R70 VanDerWaalsContact CB-CZ 3.49Å; D34-R70 IonicContact OD1-CZ 2.66Å; D34-R70 IonicContact OD1-NE 3.27Å; D34-R70 PolarHBondContact OD1-NE 3.04Å; D34-R70 IonicContact OD1-NH2 3.66Å; D34-R70 PolarHBondContact OD1-NH2 3.05Å; A37-R70 HydrophobicContact CB-CB 3.79Å; A37-R70 HydrophobicContact CB-CG 4.45Å; R41-R70 PolarHBondContact NE-O 3.18Å; R41-R70 PolarHBondContact NH2-O 3.05Å; E66-R70 VanDerWaalsContact O-CD 3.29Å; E66-R70 WeakPolarHBondContact O-CD 3.33Å; E66-R70 WeakPolarHBondContact O-CG 3.36Å; E66-R70 PolarHBondContact O-NH1 3.1Å; E66-R70 IonicContact OE2-CZ 2.74Å; E66-R70 IonicContact OE2-NH1 3.25Å; E66-R70 PolarHBondContact OE2-NH1 2.8Å; L67-R70 CarbonylContact O-C 3.4Å; L67-R70 WeakPolarHBondContact O-CA 3.41Å; L67-R70 PolarHBondContact O-N 2.74Å; L67-R70 VanDerWaalsContact O-N 3.08Å; A68-R70 PolarHBondContact O-N 3.42Å; A68-R70 VanDerWaalsContact O-N 3.15Å; R70-V72 WeakPolarHBondContact O-CG2 3.49Å; R70-V72 PolarHBondContact O-N 3.03Å; R70-V72 VanDerWaalsContact O-N 3.14Å
71D80.6Confident82.8Confident118 Ų11864.4 Ų64.463%0.63132%0.323SS*.THydrogen-bonded Turntrans58.220179.1-61-51.3000115.3L67 A68L67-D71 PolarHBondContact O-N 3.19Å; A68-D71 PolarHBondContact O-N 3.02Å; A68-D71 VanDerWaalsContact O-N 3.17Å
72V82Confident81.7Confident12 Ų1264.5 Ų64.57%0.07334%0.342CS..  trans-102.3102.8178.1-173.90000110.8A37 L40 R41 L67 R70 T74A37-V72 HydrophobicContact CB-CG2 3.87Å; L40-V72 HydrophobicContact CB-CG1 3.76Å; L40-V72 HydrophobicContact CD1-CG1 3.83Å; L40-V72 HydrophobicContact CG-CG1 4.43Å; R41-V72 HydrophobicContact CG-CG2 3.91Å; L67-V72 HydrophobicContact CB-CB 4.25Å; L67-V72 HydrophobicContact CD2-CB 4.46Å; L67-V72 PolarHBondContact O-N 3.32Å; R70-V72 WeakPolarHBondContact O-CG2 3.49Å; R70-V72 PolarHBondContact O-N 3.03Å; R70-V72 VanDerWaalsContact O-N 3.14Å; V72-T74 HydrophobicContact CG1-CG2 4Å; V72-T74 PolarHBondContact O-N 3.4Å
73N81.2Confident80.8Confident117 Ų11762.2 Ų62.263%0.62634%0.339SS*.  trans-69.9116.8177.4-76.8-67000111.7Q98N73-Q98 HydrophobicContact CB-CG 4.32Å
74T89.3Confident80.4Confident4 Ų462.3 Ų62.33%0.02534%0.34CS..EExtended strand (participates in β ladder)trans-131.6151.7-176.655.70000113L52 K64 L67 V72 A99 I101L52-T74 HydrophobicContact CD1-CG2 4.26Å; K64-T74 VanDerWaalsContact CE-O 3.28Å; K64-T74 WeakPolarHBondContact CE-O 3.49Å; K64-T74 PolarHBondContact NZ-O 3.28Å; L67-T74 HydrophobicContact CB-CG2 4.45Å; L67-T74 HydrophobicContact CD1-CG2 3.97Å; V72-T74 HydrophobicContact CG1-CG2 4Å; V72-T74 PolarHBondContact O-N 3.4Å; T74-A99 HydrophobicContact CG2-CB 4.3Å; T74-I101 HydrophobicContact CG2-CD1 4.08Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.43Å
75I89.3Confident79.7Confident33 Ų3361 Ų6117%0.16935%0.349CS..EExtended strand (participates in β ladder)trans-109.5114.3177.2-71169.4000109.3V87 I96 Q98 A99 L100 I101I75-V87 HydrophobicContact CG2-CG1 3.83Å; I75-I96 HydrophobicContact CD1-CD1 4.47Å; I75-I96 HydrophobicContact CD1-CG2 3.24Å; I75-Q98 HydrophobicContact CD1-CB 4.11Å; I75-Q98 HydrophobicContact CG1-CB 4.25Å; I75-A99 PolarHBondContact N-O 2.9Å; I75-L100 HydrophobicContact CG2-CD1 4.15Å; I75-L100 CarbonylContact O-C 3.49Å; I75-L100 WeakPolarHBondContact O-CA 3.48Å; I75-I101 PolarHBondContact O-N 3.1Å
76L89.3Confident79.4Confident31 Ų3160.3 Ų60.316%0.16235%0.348CS..EExtended strand (participates in β ladder)trans-75.6134.5166.3175.965.1000109.5A60 E61 K64 P78 I101A60-L76 HydrophobicContact CB-CD1 3.53Å; E61-L76 HydrophobicContact CB-CD2 4.4Å; E61-L76 HydrophobicContact CG-CD2 3.49Å; E61-L76 VanDerWaalsContact CG-CD2 3.49Å; K64-L76 HydrophobicContact CD-CB 3.75Å; L76-P78 WeakPolarHBondContact O-CD 3.32Å; L76-I101 CarbonylContact C-O 3.59Å; L76-I101 WeakPolarHBondContact CA-O 3.38Å; L76-I101 HydrophobicContact CD1-CB 4.34Å; L76-I101 HydrophobicContact CD1-CG2 4.09Å
77L84.8Confident79.1Confident1 Ų160.9 Ų60.91%0.00535%0.353CS..  trans-100.291.4171.6-166.378000109.5V84 V87 L88 L100 I101 L102 M106L77-V84 HydrophobicContact CD1-CB 4.33Å; L77-V84 HydrophobicContact CD1-CG1 4.1Å; L77-V84 HydrophobicContact CD1-CG2 4.11Å; L77-V84 HydrophobicContact CD2-CG1 4.32Å; L77-V84 HydrophobicContact CG-CG1 4.27Å; L77-V84 HydrophobicContact CG-CG2 4.19Å; L77-V87 HydrophobicContact CD1-CB 4.28Å; L77-V87 HydrophobicContact CD1-CG1 4.13Å; L77-L88 HydrophobicContact CD1-CD2 4.34Å; L77-L88 HydrophobicContact CD1-CG 3.97Å; L77-L88 HydrophobicContact CD2-CD1 4.08Å; L77-L88 HydrophobicContact CD2-CD2 3.97Å; L77-L88 HydrophobicContact CD2-CG 4.1Å; L77-L100 HydrophobicContact CB-CD1 4.16Å; L77-L100 HydrophobicContact CD1-CD1 4.43Å; L77-I101 PolarHBondContact N-O 3.06Å; L77-L102 HydrophobicContact CB-CB 4.25Å; L77-M106 HydrophobicContact CD2-CB 4.41Å; L77-M106 HydrophobicContact CD2-CE 3.8Å; L77-M106 HydrophobicContact CG-CE 3.94Å
78P74.4Confident79Confident54 Ų5461.4 Ų61.435%0.35136%0.356SS..  trans-74.7141.2-170.229.8-36.3000112.2L76 H80 G81 V84L76-P78 WeakPolarHBondContact O-CD 3.32Å; P78-H80 PolarHBondContact O-N 3.04Å; P78-G81 PolarHBondContact O-N 3.19Å; P78-G81 VanDerWaalsContact O-N 3.11Å; P78-V84 WeakPolarHBondContact O-CG2 2.98Å
79P66.2Low78.9Confident40 Ų4063.2 Ų63.226%0.2636%0.358SS..THydrogen-bonded Turntrans-58.6133.5171.426.4-33000110.6N57 G81 M106N57-P79 HydrophobicContact CB-CG 4.01Å; N57-P79 WeakPolarHBondContact OD1-CD 3.32Å; P79-G81 PolarHBondContact O-N 3.23Å; P79-M106 VanDerWaalsContact CA-SD 3.51Å; P79-M106 HydrophobicContact CB-SD 3.96Å
80H65.8Low78.8Confident186 Ų18661 Ų6186%0.86135%0.35SS*.THydrogen-bonded Turntrans65.314.9-177.1-33.9-55.7000115.6P78 A82P78-H80 PolarHBondContact O-N 3.04Å; H80-A82 PolarHBondContact O-N 2.91Å
81G66.1Low78.9Confident24 Ų2459 Ų5925%0.24734%0.342CS..  trans-63.6121172.100000112.5P78 P79 M83 V84P78-G81 PolarHBondContact O-N 3.19Å; P78-G81 VanDerWaalsContact O-N 3.11Å; P79-G81 PolarHBondContact O-N 3.23Å; G81-M83 PolarHBondContact O-N 2.81Å; G81-V84 WeakPolarHBondContact O-CB 3.32Å; G81-V84 WeakPolarHBondContact O-CG2 3.44Å; G81-V84 PolarHBondContact O-N 2.89Å
82A64.1Low78.8Confident105 Ų10555 Ų5587%0.86832%0.324SS*.THydrogen-bonded Turntrans-61.1-13.7-177.700000115H80H80-A82 PolarHBondContact O-N 2.91Å
83M69.2Low78.7Confident113 Ų11361 Ų6156%0.55735%0.349SS*.THydrogen-bonded Turntrans-104.1-0.3-179.9-52.4-64.6-79.200113.3G81 G85 Q86 V87G81-M83 PolarHBondContact O-N 2.81Å; M83-G85 PolarHBondContact O-N 2.91Å; M83-Q86 WeakPolarHBondContact O-CA 3.3Å; M83-Q86 WeakPolarHBondContact O-CB 3.37Å; M83-Q86 PolarHBondContact O-N 3.12Å; M83-V87 HydrophobicContact CB-CG2 4.36Å; M83-V87 PolarHBondContact O-N 3.13Å
84V79.3Confident78.3Confident15 Ų1557 Ų579%0.09133%0.334CS..Hα-helixtrans-48.9-51.7-172.5158.20000112.6L77 P78 G81 Q86 V87 L88 M106 H109L77-V84 HydrophobicContact CD1-CB 4.33Å; L77-V84 HydrophobicContact CD1-CG1 4.1Å; L77-V84 HydrophobicContact CD1-CG2 4.11Å; L77-V84 HydrophobicContact CD2-CG1 4.32Å; L77-V84 HydrophobicContact CG-CG1 4.27Å; L77-V84 HydrophobicContact CG-CG2 4.19Å; P78-V84 WeakPolarHBondContact O-CG2 2.98Å; G81-V84 WeakPolarHBondContact O-CB 3.32Å; G81-V84 WeakPolarHBondContact O-CG2 3.44Å; G81-V84 PolarHBondContact O-N 2.89Å; V84-Q86 VanDerWaalsContact C-N 3.28Å; V84-Q86 PolarHBondContact O-N 3.07Å; V84-V87 PolarHBondContact O-N 3.43Å; V84-L88 HydrophobicContact CG1-CD1 3.91Å; V84-L88 WeakPolarHBondContact O-CB 3.33Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 2.89Å; V84-M106 HydrophobicContact CB-CE 4.48Å; V84-M106 HydrophobicContact CG1-CE 3.76Å; V84-M106 HydrophobicContact CG2-CE 3.85Å; V84-H109 HydrophobicContact CG1-CB 4.46Å
85G77.6Confident77.7Confident53 Ų5365.1 Ų65.155%0.54637%0.366SS..Hα-helixtrans-66.3-24.5179.100000114.5M83 L89M83-G85 PolarHBondContact O-N 2.91Å; G85-L89 WeakPolarHBondContact O-CB 3.48Å; G85-L89 PolarHBondContact O-N 3.35Å; G85-L89 VanDerWaalsContact O-N 3.16Å
86Q80.2Confident77.4Confident113 Ų11365.2 Ų65.253%0.52837%0.366SS..Hα-helixtrans-80.1-40.2174.1-68.6-175.9-15.900111.6M83 V84 L89 L90M83-Q86 WeakPolarHBondContact O-CA 3.3Å; M83-Q86 WeakPolarHBondContact O-CB 3.37Å; M83-Q86 PolarHBondContact O-N 3.12Å; V84-Q86 VanDerWaalsContact C-N 3.28Å; V84-Q86 PolarHBondContact O-N 3.07Å; Q86-L89 PolarHBondContact O-N 3.28Å; Q86-L90 WeakPolarHBondContact O-CB 3.43Å; Q86-L90 VanDerWaalsContact O-CG 3.3Å; Q86-L90 WeakPolarHBondContact O-CG 3.02Å; Q86-L90 PolarHBondContact O-N 3.13Å
87V82.8Confident76.8Confident38 Ų3866.5 Ų66.523%0.2337%0.373CS..Hα-helixtrans-61.9-47.9174.7174.90000110.2I75 L77 M83 V84 L89 L90 W91I75-V87 HydrophobicContact CG2-CG1 3.83Å; L77-V87 HydrophobicContact CD1-CB 4.28Å; L77-V87 HydrophobicContact CD1-CG1 4.13Å; M83-V87 HydrophobicContact CB-CG2 4.36Å; M83-V87 PolarHBondContact O-N 3.13Å; V84-V87 PolarHBondContact O-N 3.43Å; V87-L89 PolarHBondContact O-N 3.23Å; V87-L90 PolarHBondContact O-N 2.85Å; V87-W91 VanDerWaalsContact O-CB 3.28Å; V87-W91 WeakPolarHBondContact O-CB 3.35Å; V87-W91 PolarHBondContact O-N 2.86Å
88L84.6Confident76.8Confident12 Ų1270.3 Ų70.36%0.06339%0.391CS..Hα-helixtrans-60.5-40.9175.5-74.6169.6000112.7L77 V84 W91 S92 L100 H109L77-L88 HydrophobicContact CD1-CD2 4.34Å; L77-L88 HydrophobicContact CD1-CG 3.97Å; L77-L88 HydrophobicContact CD2-CD1 4.08Å; L77-L88 HydrophobicContact CD2-CD2 3.97Å; L77-L88 HydrophobicContact CD2-CG 4.1Å; V84-L88 HydrophobicContact CG1-CD1 3.91Å; V84-L88 WeakPolarHBondContact O-CB 3.33Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 2.89Å; L88-W91 PolarHBondContact O-N 3.36Å; L88-S92 VanDerWaalsContact O-CB 3.28Å; L88-S92 WeakPolarHBondContact O-CB 3.4Å; L88-S92 PolarHBondContact O-N 3.2Å; L88-S92 PolarHBondContact O-OG 2.92Å; L88-L100 HydrophobicContact CD2-CD2 3.85Å; L88-H109 WeakPolarHBondContact CD1-O 3.35Å
89L80.8Confident77.5Confident91 Ų9168.3 Ų68.348%0.47638%0.379SS..Hα-helixtrans-68.1-34.1178.1-17963.2000113.3G85 Q86 V87 S92 K93G85-L89 WeakPolarHBondContact O-CB 3.48Å; G85-L89 PolarHBondContact O-N 3.35Å; G85-L89 VanDerWaalsContact O-N 3.16Å; Q86-L89 PolarHBondContact O-N 3.28Å; V87-L89 PolarHBondContact O-N 3.23Å; L89-S92 PolarHBondContact O-OG 2.75Å; L89-K93 HydrophobicContact CD1-CD 4.28Å; L89-K93 WeakPolarHBondContact O-CB 3.19Å; L89-K93 WeakPolarHBondContact O-CG 3.01Å; L89-K93 PolarHBondContact O-N 2.82Å
90L81.5Confident78.6Confident78 Ų7866.4 Ų66.441%0.40837%0.367SS..Hα-helixtrans-75.7-38.8176.2-70.8170.2000111.5Q86 V87 G94 Y95 I96Q86-L90 WeakPolarHBondContact O-CB 3.43Å; Q86-L90 VanDerWaalsContact O-CG 3.3Å; Q86-L90 WeakPolarHBondContact O-CG 3.02Å; Q86-L90 PolarHBondContact O-N 3.13Å; V87-L90 PolarHBondContact O-N 2.85Å; L90-G94 PolarHBondContact O-N 2.86Å; L90-Y95 HydrophobicContact CD2-CD2 3.82Å; L90-Y95 HydrophobicContact CD2-CG 4.18Å; L90-Y95 PolarHBondContact O-N 2.86Å; L90-I96 HydrophobicContact CB-CD1 3.54Å; L90-I96 HydrophobicContact CB-CG1 3.95Å; L90-I96 HydrophobicContact CD1-CD1 4.28Å
91W87.1Confident79.9Confident1 Ų157.5 Ų57.50%0.00433%0.326CS..Hα-helixtrans-68.2-48.1176.5-170.986.6000112.5K49 I51 V87 L88 K93 G94 I96 Q98 L100 V113 A115K49-W91 HydrophobicContact CB-CH2 3.74Å; K49-W91 HydrophobicContact CB-CZ2 3.79Å; K49-W91 HydrophobicContact CB-CZ3 4.47Å; K49-W91 HydrophobicContact CG-CH2 4.39Å; K49-W91 HydrophobicContact CG-CZ2 4.3Å; I51-W91 HydrophobicContact CD1-CH2 4.04Å; I51-W91 HydrophobicContact CD1-CZ3 4.44Å; I51-W91 HydrophobicContact CG1-CH2 3.58Å; I51-W91 HydrophobicContact CG1-CZ2 4.15Å; I51-W91 HydrophobicContact CG1-CZ3 4.37Å; V87-W91 VanDerWaalsContact O-CB 3.28Å; V87-W91 WeakPolarHBondContact O-CB 3.35Å; V87-W91 PolarHBondContact O-N 2.86Å; L88-W91 PolarHBondContact O-N 3.36Å; W91-K93 PolarHBondContact O-N 3.39Å; W91-G94 PolarHBondContact O-N 3.4Å; W91-I96 HydrophobicContact CB-CB 4.35Å; W91-I96 VanDerWaalsContact CD1-O 3.3Å; W91-Q98 PolarHBondContact NE1-O 2.9Å; W91-L100 HydrophobicContact CD2-CB 4.37Å; W91-L100 HydrophobicContact CD2-CD2 4.17Å; W91-L100 HydrophobicContact CE3-CD2 4.19Å; W91-L100 HydrophobicContact CZ2-CB 3.9Å; W91-L100 HydrophobicContact CZ3-CD2 4.4Å; W91-V113 HydrophobicContact CZ3-CB 4.21Å; W91-V113 HydrophobicContact CZ3-CG2 4.17Å; W91-A115 HydrophobicContact CH2-CB 4.27Å
92S79.8Confident81.1Confident35 Ų3556.4 Ų56.425%0.24531%0.314CS..Hα-helixtrans-61.6-32.5177.966.80000112.4K49 L88 L89K49-S92 PolarHBondContact NZ-O 3.06Å; L88-S92 VanDerWaalsContact O-CB 3.28Å; L88-S92 WeakPolarHBondContact O-CB 3.4Å; L88-S92 PolarHBondContact O-N 3.2Å; L88-S92 PolarHBondContact O-OG 2.92Å; L89-S92 PolarHBondContact O-OG 2.75Å
93K79.7Confident82.4Confident138 Ų13851.8 Ų51.860%0.628%0.275SS*.THydrogen-bonded Turntrans-82.5-1.3173.9-71.5-171.6173.8-168.40115.7L89 W91 Y95L89-K93 HydrophobicContact CD1-CD 4.28Å; L89-K93 WeakPolarHBondContact O-CB 3.19Å; L89-K93 WeakPolarHBondContact O-CG 3.01Å; L89-K93 PolarHBondContact O-N 2.82Å; W91-K93 PolarHBondContact O-N 3.39Å; K93-Y95 HydrophobicContact CB-CD2 3.68Å; K93-Y95 HydrophobicContact CB-CE2 3.7Å; K93-Y95 HydrophobicContact CD-CE2 3.99Å; K93-Y95 PolarHBondContact O-N 2.98Å
94G73Confident83.3Confident31 Ų3148 Ų4832%0.3226%0.257SS..THydrogen-bonded Turntrans72.922.1178.600000115L90 W91 N97L90-G94 PolarHBondContact O-N 2.86Å; W91-G94 PolarHBondContact O-N 3.4Å; G94-N97 PolarHBondContact O-OD1 2.9Å
95Y77.4Confident83.4Confident175 Ų17549.7 Ų49.769%0.68628%0.278SS*.SBendtrans-80.8-6.9165.2-63.2-70.1000112.3L90 K93L90-Y95 HydrophobicContact CD2-CD2 3.82Å; L90-Y95 HydrophobicContact CD2-CG 4.18Å; L90-Y95 PolarHBondContact O-N 2.86Å; K93-Y95 HydrophobicContact CB-CD2 3.68Å; K93-Y95 HydrophobicContact CB-CE2 3.7Å; K93-Y95 HydrophobicContact CD-CE2 3.99Å; K93-Y95 PolarHBondContact O-N 2.98Å
96I81Confident83.8Confident36 Ų3647.2 Ų47.219%0.18525%0.252CS..  trans-141.9111.9-178-60.3178.7000107.1I75 L90 W91 Q98I75-I96 HydrophobicContact CD1-CD1 4.47Å; I75-I96 HydrophobicContact CD1-CG2 3.24Å; L90-I96 HydrophobicContact CB-CD1 3.54Å; L90-I96 HydrophobicContact CB-CG1 3.95Å; L90-I96 HydrophobicContact CD1-CD1 4.28Å; W91-I96 HydrophobicContact CB-CB 4.35Å; W91-I96 VanDerWaalsContact CD1-O 3.3Å; I96-Q98 HydrophobicContact CG2-CB 4.48Å
97N77.1Confident84Confident57 Ų5742.2 Ų42.231%0.30523%0.229SC..  trans-102.61.6-175.4-55.3-18.7000113.2A45 N46 G94A45-N97 WeakPolarHBondContact O-CB 3.46Å; N46-N97 PolarHBondContact OD1-ND2 3.28Å; G94-N97 PolarHBondContact O-OD1 2.9Å
98Q86Confident83.8Confident81 Ų8146.3 Ų46.338%0.37925%0.245SC..SBendtrans-70.8145.7176.5-66.4-179.67.200111N73 I75 W91 I96N73-Q98 HydrophobicContact CB-CG 4.32Å; I75-Q98 HydrophobicContact CD1-CB 4.11Å; I75-Q98 HydrophobicContact CG1-CB 4.25Å; W91-Q98 PolarHBondContact NE1-O 2.9Å; I96-Q98 HydrophobicContact CG2-CB 4.48Å
99A88.2Confident83.5Confident12 Ų1250 Ų5010%0.09926%0.262CS..EExtended strand (participates in β ladder)trans-65139.2178.300000111.8L40 T50 L52 T74 I75L40-A99 HydrophobicContact CD2-CB 3.92Å; T50-A99 HydrophobicContact CG2-CB 4.41Å; T50-A99 WeakPolarHBondContact O-CA 3.4Å; L52-A99 HydrophobicContact CD1-CB 3.69Å; T74-A99 HydrophobicContact CG2-CB 4.3Å; I75-A99 PolarHBondContact N-O 2.9Å
100L90.5Very high83.3Confident0 Ų046.1 Ų46.10%024%0.242CC..EExtended strand (participates in β ladder)trans-98.2110.8-171.5-175.170.7000110.9T50 I51 L52 I75 L77 L88 W91 L102T50-L100 PolarHBondContact O-N 3.3Å; I51-L100 CarbonylContact C-O 3.53Å; I51-L100 WeakPolarHBondContact CA-O 3.27Å; L52-L100 PolarHBondContact N-O 3.4Å; I75-L100 HydrophobicContact CG2-CD1 4.15Å; I75-L100 CarbonylContact O-C 3.49Å; I75-L100 WeakPolarHBondContact O-CA 3.48Å; L77-L100 HydrophobicContact CB-CD1 4.16Å; L77-L100 HydrophobicContact CD1-CD1 4.43Å; L88-L100 HydrophobicContact CD2-CD2 3.85Å; W91-L100 HydrophobicContact CD2-CB 4.37Å; W91-L100 HydrophobicContact CD2-CD2 4.17Å; W91-L100 HydrophobicContact CE3-CD2 4.19Å; W91-L100 HydrophobicContact CZ2-CB 3.9Å; W91-L100 HydrophobicContact CZ3-CD2 4.4Å; L100-L102 HydrophobicContact CD2-CD2 4.15Å; L100-L102 HydrophobicContact CG-CD2 4.38Å
101I92.2Very high82.8Confident0 Ų044.3 Ų44.30%024%0.242CC..EExtended strand (participates in β ladder)trans-90.7132175-55.5168.3000110L52 A60 L63 K64 L67 T74 I75 L76 L77L52-I101 HydrophobicContact CB-CB 4.29Å; L52-I101 HydrophobicContact CB-CG1 3.8Å; L52-I101 HydrophobicContact CB-CG2 4.47Å; L52-I101 HydrophobicContact CD1-CD1 4.34Å; L52-I101 HydrophobicContact CD1-CG1 3.56Å; L52-I101 HydrophobicContact CG-CG1 4.3Å; L52-I101 WeakPolarHBondContact O-CA 3.49Å; A60-I101 HydrophobicContact CB-CG2 3.77Å; L63-I101 HydrophobicContact CD2-CD1 4.4Å; L63-I101 HydrophobicContact CD2-CG1 4.44Å; L63-I101 HydrophobicContact CD2-CG2 4.1Å; L63-I101 HydrophobicContact CG-CD1 4.28Å; K64-I101 HydrophobicContact CB-CD1 3.78Å; L67-I101 HydrophobicContact CD1-CD1 4.3Å; T74-I101 HydrophobicContact CG2-CD1 4.08Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.43Å; I75-I101 PolarHBondContact O-N 3.1Å; L76-I101 CarbonylContact C-O 3.59Å; L76-I101 WeakPolarHBondContact CA-O 3.38Å; L76-I101 HydrophobicContact CD1-CB 4.34Å; L76-I101 HydrophobicContact CD1-CG2 4.09Å; L77-I101 PolarHBondContact N-O 3.06Å
102L91.6Very high82Confident0 Ų050 Ų500%028%0.276CS..EExtended strand (participates in β ladder)trans-149.3160.7176.562.793.9000111.9I51 L52 I53 C54 L77 L100 M106 L107 L110I51-L102 HydrophobicContact CG2-CD2 3.72Å; I51-L102 HydrophobicContact CG2-CG 4.24Å; L52-L102 PolarHBondContact O-N 2.88Å; I53-L102 WeakPolarHBondContact CA-O 3.44Å; I53-L102 HydrophobicContact CG1-CD1 4.19Å; I53-L102 HydrophobicContact CG2-CD1 4.31Å; C54-L102 PolarHBondContact N-O 3.43Å; L77-L102 HydrophobicContact CB-CB 4.25Å; L100-L102 HydrophobicContact CD2-CD2 4.15Å; L100-L102 HydrophobicContact CG-CD2 4.38Å; L102-M106 HydrophobicContact CB-CB 4.14Å; L102-M106 HydrophobicContact CD1-CB 4.46Å; L102-L107 HydrophobicContact CD1-CD2 3.79Å; L102-L107 HydrophobicContact CD1-CG 4.36Å; L102-L110 HydrophobicContact CD1-CD1 4.26Å; L102-L110 HydrophobicContact CD2-CD1 3.81Å; L102-L110 HydrophobicContact CD2-CD2 4.01Å; L102-L110 HydrophobicContact CD2-CG 4.15Å
103C91.3Very high81.7Confident8 Ų848.7 Ų48.75%0.05427%0.267CS..EExtended strand (participates in β ladder)trans-103.8165.5172.761.40000111.9C54 G105 M106C54-C103 CarbonylContact O-C 3.51Å; C54-C103 VanDerWaalsContact O-CA 3.26Å; C54-C103 WeakPolarHBondContact O-CA 3.28Å; C103-G105 PolarHBondContact O-N 3.41Å; C103-G105 VanDerWaalsContact O-N 3.09Å; C103-M106 WeakPolarHBondContact O-CB 3.46Å; C103-M106 PolarHBondContact O-N 3.48Å
104D86.8Confident81.3Confident33 Ų3349.2 Ų49.218%0.17627%0.272CS..G310 helixtrans-50.3-39.2-179-76.4-36.2000113.9C54 Q55 M106 L107 R132C54-D104 PolarHBondContact O-N 3.05Å; C54-D104 VanDerWaalsContact O-N 3.12Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.44Å; Q55-D104 PolarHBondContact O-N 3.33Å; D104-M106 PolarHBondContact O-N 2.97Å; D104-L107 HydrophobicContact CB-CD1 4.24Å; D104-L107 WeakPolarHBondContact O-CB 3.2Å; D104-L107 WeakPolarHBondContact O-CG 3.44Å; D104-L107 PolarHBondContact O-N 2.87Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.27Å; D104-R132 IonicContact OD1-CZ 3.44Å; D104-R132 IonicContact OD1-NE 3.35Å; D104-R132 PolarHBondContact OD1-NE 3.42Å; D104-R132 IonicContact OD1-NH2 2.67Å; D104-R132 PolarHBondContact OD1-NH2 3.45Å; D104-R132 IonicContact OD2-CZ 2.98Å; D104-R132 IonicContact OD2-NE 3.25Å; D104-R132 IonicContact OD2-NH2 2.76Å; D104-R132 PolarHBondContact OD2-NH2 3.32Å
105G83.2Confident81.7Confident51 Ų5148.1 Ų48.153%0.52626%0.259SS..G310 helixtrans-64.2-1175.800000115.9C103C103-G105 PolarHBondContact O-N 3.41Å; C103-G105 VanDerWaalsContact O-N 3.09Å
106M86Confident82Confident2 Ų243.3 Ų43.31%0.0125%0.246CC..G310 helixtrans-109.6-2.2174.1-63.7-56.2-71.100113.4L77 P79 V84 L102 C103 D104 E108 H109L77-M106 HydrophobicContact CD2-CB 4.41Å; L77-M106 HydrophobicContact CD2-CE 3.8Å; L77-M106 HydrophobicContact CG-CE 3.94Å; P79-M106 VanDerWaalsContact CA-SD 3.51Å; P79-M106 HydrophobicContact CB-SD 3.96Å; V84-M106 HydrophobicContact CB-CE 4.48Å; V84-M106 HydrophobicContact CG1-CE 3.76Å; V84-M106 HydrophobicContact CG2-CE 3.85Å; L102-M106 HydrophobicContact CB-CB 4.14Å; L102-M106 HydrophobicContact CD1-CB 4.46Å; C103-M106 WeakPolarHBondContact O-CB 3.46Å; C103-M106 PolarHBondContact O-N 3.48Å; D104-M106 PolarHBondContact O-N 2.97Å; M106-E108 VanDerWaalsContact C-N 3.35Å; M106-E108 PolarHBondContact O-N 3.01Å; M106-H109 HydrophobicContact CE-CB 4.06Å; M106-H109 WeakPolarHBondContact O-CB 3.37Å; M106-H109 PolarHBondContact O-N 3.11Å
107L83.7Confident82.2Confident7 Ų741.6 Ų41.64%0.03724%0.237CC..G310 helixtrans-62.4-40-177.1-68.5169.7000112.8I53 L102 D104 H109 L110 R132 W135 L136I53-L107 HydrophobicContact CD1-CD2 4.17Å; L102-L107 HydrophobicContact CD1-CD2 3.79Å; L102-L107 HydrophobicContact CD1-CG 4.36Å; D104-L107 HydrophobicContact CB-CD1 4.24Å; D104-L107 WeakPolarHBondContact O-CB 3.2Å; D104-L107 WeakPolarHBondContact O-CG 3.44Å; D104-L107 PolarHBondContact O-N 2.87Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.27Å; L107-H109 PolarHBondContact O-N 3.39Å; L107-H109 VanDerWaalsContact O-N 3.17Å; L107-L110 HydrophobicContact CD2-CD1 4.14Å; L107-L110 WeakPolarHBondContact O-CD1 3.42Å; L107-L110 PolarHBondContact O-N 3.19Å; L107-R132 HydrophobicContact CD1-CB 3.97Å; L107-R132 HydrophobicContact CD1-CG 3.79Å; L107-W135 HydrophobicContact CB-CB 4.01Å; L107-W135 HydrophobicContact CB-CG 4.07Å; L107-L136 HydrophobicContact CD2-CD2 4.42Å
108E79.4Confident82.7Confident124 Ų12438.9 Ų38.958%0.57922%0.222SC*.G310 helixtrans-61.3-21.4173.470.1179.6-176.600113.3M106 W135M106-E108 VanDerWaalsContact C-N 3.35Å; M106-E108 PolarHBondContact O-N 3.01Å; E108-W135 HydrophobicContact CB-CH2 3.91Å; E108-W135 HydrophobicContact CB-CZ2 3.99Å; E108-W135 HydrophobicContact CB-CZ3 4.27Å
109H77Confident83Confident90 Ų9035 Ų3542%0.41720%0.204SC..G310 helixtrans-89.8-15.1-174.9-72.782000114V84 L88 M106 L107 G111V84-H109 HydrophobicContact CG1-CB 4.46Å; L88-H109 WeakPolarHBondContact CD1-O 3.35Å; M106-H109 HydrophobicContact CE-CB 4.06Å; M106-H109 WeakPolarHBondContact O-CB 3.37Å; M106-H109 PolarHBondContact O-N 3.11Å; L107-H109 PolarHBondContact O-N 3.39Å; L107-H109 VanDerWaalsContact O-N 3.17Å; H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 3.09Å
110L76.4Confident83.1Confident10 Ų1034.5 Ų34.55%0.05220%0.2CC..SBendtrans-63.5-35.8-178.8-80103.1000112.9I51 L102 L107 V113I51-L110 HydrophobicContact CD1-CD2 3.72Å; L102-L110 HydrophobicContact CD1-CD1 4.26Å; L102-L110 HydrophobicContact CD2-CD1 3.81Å; L102-L110 HydrophobicContact CD2-CD2 4.01Å; L102-L110 HydrophobicContact CD2-CG 4.15Å; L107-L110 HydrophobicContact CD2-CD1 4.14Å; L107-L110 WeakPolarHBondContact O-CD1 3.42Å; L107-L110 PolarHBondContact O-N 3.19Å; L110-V113 HydrophobicContact CD2-CG2 3.89Å
111G71.8Confident82.9Confident40 Ų4035.7 Ų35.741%0.41221%0.207SC..  trans65.2-147.1-165.300000111.2H109 S139H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 3.09Å; G111-S139 VanDerWaalsContact O-CA 3.24Å; G111-S139 WeakPolarHBondContact O-CA 3.49Å; G111-S139 WeakPolarHBondContact O-CB 3.44Å; G111-S139 PolarHBondContact O-OG 3.43Å
112V69.5Low82.5Confident119 Ų11937.9 Ų37.972%0.72122%0.22SC*.SBendtrans-94.1118173.1-178.30000108.8
113V74.1Confident82Confident9 Ų941.1 Ų41.16%0.05524%0.238CC..  trans-128.8152.5173.3-63.10000111I51 W91 L110 S139I51-V113 HydrophobicContact CD1-CG2 4.22Å; W91-V113 HydrophobicContact CZ3-CB 4.21Å; W91-V113 HydrophobicContact CZ3-CG2 4.17Å; L110-V113 HydrophobicContact CD2-CG2 3.89Å; V113-S139 CarbonylContact C-O 3.56Å; V113-S139 WeakPolarHBondContact CG2-O 3.17Å; V113-S139 PolarHBondContact N-O 3.15Å
114E72.1Confident81.4Confident149 Ų14941.5 Ų41.570%0.69624%0.24SC*.  trans-89.1119.1167-67.4175.6157.700108K49K49-E114 WeakPolarHBondContact CD-O 3.26Å
115A80.5Confident80.9Confident7 Ų746 Ų466%0.05826%0.26CS..  trans-129.5136.7173.700000108.6K49 I51 W91 A140 A143K49-A115 CarbonylContact O-C 3.6Å; I51-A115 HydrophobicContact CD1-CB 3.53Å; I51-A115 HydrophobicContact CG1-CB 3.96Å; W91-A115 HydrophobicContact CH2-CB 4.27Å; A115-A140 HydrophobicContact CB-CB 4.27Å; A115-A143 VanDerWaalsContact O-CB 3.29Å; A115-A143 WeakPolarHBondContact O-CB 3.2Å
116N82.9Confident80.5Confident75 Ų7549.2 Ų49.240%0.40126%0.264SS..SBendtrans-87.4-32.6-178.2-57.686.6000111.3E48 K49 E144E48-N116 HydrophobicContact CB-CB 4.17Å; E48-N116 HydrophobicContact CG-CB 4.31Å; K49-N116 PolarHBondContact N-OD1 2.94Å; K49-N116 PolarHBondContact O-N 2.87Å; N116-E144 PolarHBondContact O-N 3.41Å
117L85.4Confident79.9Confident0 Ų055 Ų550%030%0.295CS..EExtended strand (participates in β ladder)trans-139133.9-177.6-179.668.5000110.1T39 K49 T50 I51 I119 E144 L146T39-L117 HydrophobicContact CG2-CD2 4.41Å; K49-L117 PolarHBondContact O-N 3.05Å; T50-L117 WeakPolarHBondContact CA-O 3.43Å; T50-L117 HydrophobicContact CG2-CB 4.18Å; T50-L117 HydrophobicContact CG2-CD2 3.88Å; T50-L117 HydrophobicContact CG2-CG 4.13Å; I51-L117 PolarHBondContact N-O 3.38Å; L117-I119 HydrophobicContact CD1-CG1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 3.74Å; L117-I119 HydrophobicContact CD2-CG1 3.81Å; L117-I119 HydrophobicContact CG-CD1 4.33Å; L117-I119 HydrophobicContact CG-CG1 3.82Å; L117-E144 WeakPolarHBondContact CA-O 3.34Å; L117-E144 HydrophobicContact CD1-CB 4.02Å; L117-E144 HydrophobicContact CD1-CG 4.17Å; L117-L146 HydrophobicContact CD1-CB 4.12Å
118V88.9Confident79.5Confident0 Ų059.1 Ų59.10%031%0.313CS..EExtended strand (participates in β ladder)trans-119122.2169.4175.70000108.2I51 I53 L136 A140 A143 E144 M145 L146I51-V118 HydrophobicContact CB-CG2 4.32Å; I51-V118 HydrophobicContact CD1-CG2 4.45Å; I53-V118 HydrophobicContact CD1-CG1 3.43Å; I53-V118 VanDerWaalsContact CD1-CG1 3.43Å; I53-V118 HydrophobicContact CG1-CG1 4.13Å; V118-L136 HydrophobicContact CG1-CD1 4.1Å; V118-L136 HydrophobicContact CG1-CD2 4.33Å; V118-L136 HydrophobicContact CG2-CD2 4.4Å; V118-A140 HydrophobicContact CG2-CB 4.24Å; V118-A143 HydrophobicContact CG2-CB 3.86Å; V118-E144 PolarHBondContact N-O 3Å; V118-M145 HydrophobicContact CB-CE 4.38Å; V118-M145 HydrophobicContact CB-SD 3.69Å; V118-M145 HydrophobicContact CG1-SD 3.98Å; V118-M145 HydrophobicContact CG2-CE 4.34Å; V118-M145 HydrophobicContact CG2-SD 4.3Å; V118-L146 PolarHBondContact O-N 3.4Å
119I90.8Very high79.7Confident0 Ų054.2 Ų54.20%029%0.29CS..EExtended strand (participates in β ladder)trans-109.6116.1180-47.4-178.9000109.4L36 T39 L40 T50 I51 L52 I53 L117 T121 L146 I148L36-I119 HydrophobicContact CD1-CD1 3.56Å; L36-I119 HydrophobicContact CD1-CG2 3.87Å; T39-I119 HydrophobicContact CG2-CD1 4.46Å; L40-I119 HydrophobicContact CD2-CD1 4.26Å; T50-I119 HydrophobicContact CG2-CD1 3.88Å; T50-I119 HydrophobicContact CG2-CG1 4.07Å; I51-I119 PolarHBondContact O-N 3.47Å; L52-I119 HydrophobicContact CD2-CB 4.06Å; L52-I119 HydrophobicContact CD2-CD1 4.01Å; L52-I119 HydrophobicContact CD2-CG1 4.47Å; L52-I119 HydrophobicContact CD2-CG2 4.45Å; I53-I119 PolarHBondContact N-O 2.96Å; L117-I119 HydrophobicContact CD1-CG1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 3.74Å; L117-I119 HydrophobicContact CD2-CG1 3.81Å; L117-I119 HydrophobicContact CG-CD1 4.33Å; L117-I119 HydrophobicContact CG-CG1 3.82Å; I119-T121 HydrophobicContact CG2-CG2 4.11Å; I119-T121 PolarHBondContact O-N 3.38Å; I119-L146 CarbonylContact C-O 3.59Å; I119-L146 WeakPolarHBondContact CA-O 3.2Å; I119-L146 HydrophobicContact CD1-CD2 4.17Å; I119-L146 HydrophobicContact CG1-CB 4.27Å; I119-L146 HydrophobicContact CG1-CD2 4.15Å; I119-L146 HydrophobicContact CG2-CB 4.35Å; I119-L146 HydrophobicContact CG2-CD2 4.08Å; I119-L146 HydrophobicContact CG2-CG 4.19Å; I119-I148 HydrophobicContact CG2-CD1 4.12Å; I119-I148 HydrophobicContact CG2-CG1 4.43Å
120H90.9Very high79.8Confident0 Ų055.5 Ų55.50%030%0.296CS..EExtended strand (participates in β ladder)trans-84.8106.2169.4-56.9-65.9000108.9R132 L146 V147 I148H120-R132 WeakPolarHBondContact ND1-CD 3.42Å; H120-R132 PolarHBondContact ND1-NH1 2.9Å; H120-L146 PolarHBondContact N-O 3.17Å; H120-V147 HydrophobicContact CB-CG2 4.35Å; H120-I148 PolarHBondContact O-N 2.94Å
121T86.6Confident79.9Confident25 Ų2560.8 Ų60.815%0.15332%0.32CS..SBendtrans-89.1-21.1-178.761.80000112.9L36 L52 I53 C54 L63 I119L36-T121 HydrophobicContact CD2-CG2 3.9Å; L52-T121 HydrophobicContact CD2-CG2 4.03Å; I53-T121 PolarHBondContact O-N 3.43Å; I53-T121 PolarHBondContact O-OG1 3.37Å; C54-T121 PolarHBondContact SG-OG1 2.95Å; L63-T121 HydrophobicContact CD2-CG2 3.81Å; I119-T121 HydrophobicContact CG2-CG2 4.11Å; I119-T121 PolarHBondContact O-N 3.38Å
122T83.7Confident80.7Confident46 Ų4659 Ų5928%0.28230%0.301SS..SBendtrans-138.2137169.247.40000109.7C54 Q55 E59 R132C54-T122 WeakPolarHBondContact CA-OG1 3.49Å; Q55-T122 PolarHBondContact N-OG1 2.93Å; E59-T122 WeakPolarHBondContact OE2-CB 3.3Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.27Å; E59-T122 PolarHBondContact OE2-OG1 3.17Å; T122-R132 PolarHBondContact O-NH1 3.02Å; T122-R132 PolarHBondContact O-NH2 3.37Å
123L80.6Confident81.4Confident69 Ų6955.5 Ų55.536%0.36128%0.278SS..PPolyproline II helixtrans-97.1127.5-179.8-76.9174.1000110.7F129 V147 T149L123-F129 HydrophobicContact CD2-CD2 3.95Å; L123-F129 HydrophobicContact CD2-CE2 3.66Å; L123-F129 HydrophobicContact CD2-CZ 4.1Å; L123-V147 HydrophobicContact CD1-CG1 3.71Å; L123-V147 HydrophobicContact CD2-CG1 3.76Å; L123-V147 HydrophobicContact CG-CG1 3.91Å; L123-T149 HydrophobicContact CD1-CG2 4.29Å
124P78.4Confident81.7Confident15 Ų1562.1 Ų62.110%0.09731%0.306CS..PPolyproline II helixtrans-87.6171.8171.438.5-35.4000110.9Q55 K128 F129Q55-P124 HydrophobicContact CG-CB 4.29Å; Q55-P124 VanDerWaalsContact NE2-CB 3.35Å; P124-K128 HydrophobicContact CB-CB 3.87Å; P124-K128 HydrophobicContact CG-CB 4.1Å; P124-F129 HydrophobicContact CG-CB 4.01Å; P124-F129 HydrophobicContact CG-CD2 4.36Å
125E77.3Confident82.1Confident129 Ų12960.1 Ų60.160%0.60329%0.292SS*.PPolyproline II helixtrans-51146.5170.5-59.9160.8136.300111.8N127 K128 F129E125-N127 VanDerWaalsContact C-N 3.32Å; E125-N127 PolarHBondContact O-N 3.33Å; E125-N127 VanDerWaalsContact O-N 3.1Å; E125-K128 WeakPolarHBondContact O-CA 3.42Å; E125-K128 WeakPolarHBondContact O-CB 3.3Å; E125-K128 PolarHBondContact O-N 3.17Å; E125-K128 WeakPolarHBondContact OE2-CE 3.5Å; E125-K128 IonicContact OE2-NZ 2.64Å; E125-K128 PolarHBondContact OE2-NZ 2.83Å; E125-F129 PolarHBondContact O-N 3.39Å
126L74.2Confident82.2Confident118 Ų11859.9 Ų59.962%0.61829%0.29SS*.Hα-helixtrans-45.4-49.8-170.7-175.964.9000113.9K128 F129 E130L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 3.18Å; L126-F129 CarbonylContact O-C 3.57Å; L126-F129 WeakPolarHBondContact O-CA 3.33Å; L126-F129 WeakPolarHBondContact O-CB 3.49Å; L126-F129 PolarHBondContact O-N 3.21Å; L126-E130 PolarHBondContact O-N 2.89Å
127N73.3Confident81.8Confident122 Ų12260.1 Ų60.165%0.65230%0.298SS*.Hα-helixtrans-58.2-40-179.5-56.8-1.1000112.7E125 E131E125-N127 VanDerWaalsContact C-N 3.32Å; E125-N127 PolarHBondContact O-N 3.33Å; E125-N127 VanDerWaalsContact O-N 3.1Å; N127-E131 WeakPolarHBondContact O-CG 3.42Å; N127-E131 PolarHBondContact O-N 3.24Å; N127-E131 VanDerWaalsContact O-N 3.08Å
128K76.3Confident81Confident94 Ų9464.2 Ų64.241%0.40932%0.318SS..Hα-helixtrans-75.7-29.4176.6-71.1169.5-177.4153.50111.6P124 E125 L126 E131 R132P124-K128 HydrophobicContact CB-CB 3.87Å; P124-K128 HydrophobicContact CG-CB 4.1Å; E125-K128 WeakPolarHBondContact O-CA 3.42Å; E125-K128 WeakPolarHBondContact O-CB 3.3Å; E125-K128 PolarHBondContact O-N 3.17Å; E125-K128 WeakPolarHBondContact OE2-CE 3.5Å; E125-K128 IonicContact OE2-NZ 2.64Å; E125-K128 PolarHBondContact OE2-NZ 2.83Å; L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 3.18Å; K128-E131 PolarHBondContact O-N 2.85Å; K128-R132 WeakPolarHBondContact O-CB 3.36Å; K128-R132 PolarHBondContact O-N 3.28Å
129F82.3Confident80Confident22 Ų2264.4 Ų64.410%0.09632%0.32CS..Hα-helixtrans-68.6-39.9172.4-169.7-117.8000110.9F21 L123 P124 E125 L126 R132 L133F21-F129 HydrophobicContact CE1-CZ 4.39Å; L123-F129 HydrophobicContact CD2-CD2 3.95Å; L123-F129 HydrophobicContact CD2-CE2 3.66Å; L123-F129 HydrophobicContact CD2-CZ 4.1Å; P124-F129 HydrophobicContact CG-CB 4.01Å; P124-F129 HydrophobicContact CG-CD2 4.36Å; E125-F129 PolarHBondContact O-N 3.39Å; L126-F129 CarbonylContact O-C 3.57Å; L126-F129 WeakPolarHBondContact O-CA 3.33Å; L126-F129 WeakPolarHBondContact O-CB 3.49Å; L126-F129 PolarHBondContact O-N 3.21Å; F129-R132 WeakPolarHBondContact O-CB 3.17Å; F129-R132 PolarHBondContact O-N 2.84Å; F129-L133 HydrophobicContact CD1-CD1 4.05Å; F129-L133 HydrophobicContact CD1-CG 4.46Å; F129-L133 HydrophobicContact CE1-CD1 3.72Å; F129-L133 HydrophobicContact CE1-CG 4.23Å; F129-L133 HydrophobicContact CE2-CD2 4.49Å; F129-L133 HydrophobicContact CZ-CD1 4.17Å; F129-L133 HydrophobicContact CZ-CD2 4.2Å; F129-L133 HydrophobicContact CZ-CG 4.28Å; F129-L133 WeakPolarHBondContact O-CG 3.4Å; F129-L133 PolarHBondContact O-N 2.82Å
130E79.6Confident78.7Confident116 Ų11664.5 Ų64.554%0.54232%0.321SS..Hα-helixtrans-62.6-42.6171.6-70.3-179.8-176.800112.2L126 L133 K134L126-E130 PolarHBondContact O-N 2.89Å; E130-L133 PolarHBondContact O-N 2.69Å; E130-K134 WeakPolarHBondContact O-CB 3.34Å; E130-K134 PolarHBondContact O-N 3.3Å
131E79.6Confident77.4Confident122 Ų12273.4 Ų73.457%0.5736%0.355SS*.Hα-helixtrans-60.2-43.9171.4-73.4-178.1154.500112.2N127 K128 K134 W135N127-E131 WeakPolarHBondContact O-CG 3.42Å; N127-E131 PolarHBondContact O-N 3.24Å; N127-E131 VanDerWaalsContact O-N 3.08Å; K128-E131 PolarHBondContact O-N 2.85Å; E131-K134 WeakPolarHBondContact O-CB 3.09Å; E131-K134 PolarHBondContact O-N 3.31Å; E131-W135 PolarHBondContact O-N 3.08Å
132R87.8Confident76.4Confident2 Ų280.3 Ų80.31%0.00839%0.39CS..Hα-helixtrans-58.7-47.1175.1175.4-170.8-69.1-173.9-4.6111.5D104 L107 H120 T122 K128 F129 W135 L136D104-R132 IonicContact OD1-CZ 3.44Å; D104-R132 IonicContact OD1-NE 3.35Å; D104-R132 PolarHBondContact OD1-NE 3.42Å; D104-R132 IonicContact OD1-NH2 2.67Å; D104-R132 PolarHBondContact OD1-NH2 3.45Å; D104-R132 IonicContact OD2-CZ 2.98Å; D104-R132 IonicContact OD2-NE 3.25Å; D104-R132 IonicContact OD2-NH2 2.76Å; D104-R132 PolarHBondContact OD2-NH2 3.32Å; L107-R132 HydrophobicContact CD1-CB 3.97Å; L107-R132 HydrophobicContact CD1-CG 3.79Å; H120-R132 WeakPolarHBondContact ND1-CD 3.42Å; H120-R132 PolarHBondContact ND1-NH1 2.9Å; T122-R132 PolarHBondContact O-NH1 3.02Å; T122-R132 PolarHBondContact O-NH2 3.37Å; K128-R132 WeakPolarHBondContact O-CB 3.36Å; K128-R132 PolarHBondContact O-N 3.28Å; F129-R132 WeakPolarHBondContact O-CB 3.17Å; F129-R132 PolarHBondContact O-N 2.84Å; R132-W135 PolarHBondContact O-N 3.24Å; R132-L136 HydrophobicContact CG-CD1 3.93Å; R132-L136 WeakPolarHBondContact O-CG 3.33Å; R132-L136 PolarHBondContact O-N 3.04Å
133L83.5Confident76.1Confident46 Ų4678.4 Ų78.424%0.24138%0.38CS..Hα-helixtrans-66.3-36.1177.7-68-177.9000112.4F21 F129 E130 L136 S137F21-L133 HydrophobicContact CE1-CD1 4.38Å; F21-L133 HydrophobicContact CE1-CD2 3.71Å; F21-L133 HydrophobicContact CZ-CD1 3.93Å; F21-L133 HydrophobicContact CZ-CD2 3.7Å; F21-L133 HydrophobicContact CZ-CG 4.49Å; F129-L133 HydrophobicContact CD1-CD1 4.05Å; F129-L133 HydrophobicContact CD1-CG 4.46Å; F129-L133 HydrophobicContact CE1-CD1 3.72Å; F129-L133 HydrophobicContact CE1-CG 4.23Å; F129-L133 HydrophobicContact CE2-CD2 4.49Å; F129-L133 HydrophobicContact CZ-CD1 4.17Å; F129-L133 HydrophobicContact CZ-CD2 4.2Å; F129-L133 HydrophobicContact CZ-CG 4.28Å; F129-L133 WeakPolarHBondContact O-CG 3.4Å; F129-L133 PolarHBondContact O-N 2.82Å; E130-L133 PolarHBondContact O-N 2.69Å; L133-L136 HydrophobicContact CD2-CD1 4.49Å; L133-L136 PolarHBondContact O-N 3.02Å; L133-S137 PolarHBondContact O-N 3.43Å
134K80.9Confident76.2Confident147 Ų14778 Ų7864%0.63938%0.376SS*.Hα-helixtrans-59.6-47.4173.8-174178.3-180-179.70111.3E130 E131 S137E130-K134 WeakPolarHBondContact O-CB 3.34Å; E130-K134 PolarHBondContact O-N 3.3Å; E131-K134 WeakPolarHBondContact O-CB 3.09Å; E131-K134 PolarHBondContact O-N 3.31Å; K134-S137 PolarHBondContact O-N 3.28Å; K134-S137 PolarHBondContact O-OG 3.08Å
135W81.7Confident76.6Confident108 Ų10877.7 Ų77.741%0.40937%0.373SS..Hα-helixtrans-61.3-44.7173.5-75.4111.6000112.1L107 E108 E131 R132 S137 I138 S139L107-W135 HydrophobicContact CB-CB 4.01Å; L107-W135 HydrophobicContact CB-CG 4.07Å; E108-W135 HydrophobicContact CB-CH2 3.91Å; E108-W135 HydrophobicContact CB-CZ2 3.99Å; E108-W135 HydrophobicContact CB-CZ3 4.27Å; E131-W135 PolarHBondContact O-N 3.08Å; R132-W135 PolarHBondContact O-N 3.24Å; W135-S137 PolarHBondContact O-N 3.13Å; W135-I138 WeakPolarHBondContact O-CB 3.45Å; W135-I138 PolarHBondContact O-N 3.32Å; W135-I138 VanDerWaalsContact O-N 3.13Å; W135-S139 VanDerWaalsContact O-CB 3.28Å; W135-S139 WeakPolarHBondContact O-CB 3.47Å; W135-S139 PolarHBondContact O-N 3.39Å; W135-S139 PolarHBondContact O-OG 3.2Å
136L81.2Confident77Confident2 Ų272.1 Ų72.11%0.0135%0.348CS..Hα-helixtrans-66.5-33.4-179.6-68.4165.1000113.7I53 L107 V118 R132 L133 I138 S139 A140 M145I53-L136 HydrophobicContact CD1-CD1 3.72Å; I53-L136 HydrophobicContact CD1-CD2 3.82Å; I53-L136 HydrophobicContact CD1-CG 4.3Å; L107-L136 HydrophobicContact CD2-CD2 4.42Å; V118-L136 HydrophobicContact CG1-CD1 4.1Å; V118-L136 HydrophobicContact CG1-CD2 4.33Å; V118-L136 HydrophobicContact CG2-CD2 4.4Å; R132-L136 HydrophobicContact CG-CD1 3.93Å; R132-L136 WeakPolarHBondContact O-CG 3.33Å; R132-L136 PolarHBondContact O-N 3.04Å; L133-L136 HydrophobicContact CD2-CD1 4.49Å; L133-L136 PolarHBondContact O-N 3.02Å; L136-I138 PolarHBondContact O-N 3.4Å; L136-S139 PolarHBondContact O-N 3.24Å; L136-S139 VanDerWaalsContact O-N 3.17Å; L136-A140 HydrophobicContact CD2-CB 4.21Å; L136-A140 CarbonylContact O-C 3.56Å; L136-A140 WeakPolarHBondContact O-CA 3.37Å; L136-A140 PolarHBondContact O-N 3.29Å; L136-M145 HydrophobicContact CB-CE 4.42Å
137S74.3Confident77.7Confident80 Ų8066.5 Ų66.556%0.55932%0.318SS*.Hα-helixtrans-64.3-25.5174.172.20000113.5L133 K134 W135L133-S137 PolarHBondContact O-N 3.43Å; K134-S137 PolarHBondContact O-N 3.28Å; K134-S137 PolarHBondContact O-OG 3.08Å; W135-S137 PolarHBondContact O-N 3.13Å
138I70.3Confident78.3Confident85 Ų8561 Ų6144%0.43629%0.289SS..Hα-helixtrans-82.2-44.1171.2-60.2167000110.1W135 L136W135-I138 WeakPolarHBondContact O-CB 3.45Å; W135-I138 PolarHBondContact O-N 3.32Å; W135-I138 VanDerWaalsContact O-N 3.13Å; L136-I138 PolarHBondContact O-N 3.4Å
139S66.9Low78.3Confident4 Ų458.2 Ų58.23%0.02828%0.279CS..Hα-helixtrans-95.2-21.6-163-67.50000116.7G111 V113 W135 L136G111-S139 VanDerWaalsContact O-CA 3.24Å; G111-S139 WeakPolarHBondContact O-CA 3.49Å; G111-S139 WeakPolarHBondContact O-CB 3.44Å; G111-S139 PolarHBondContact O-OG 3.43Å; V113-S139 CarbonylContact C-O 3.56Å; V113-S139 WeakPolarHBondContact CG2-O 3.17Å; V113-S139 PolarHBondContact N-O 3.15Å; W135-S139 VanDerWaalsContact O-CB 3.28Å; W135-S139 WeakPolarHBondContact O-CB 3.47Å; W135-S139 PolarHBondContact O-N 3.39Å; W135-S139 PolarHBondContact O-OG 3.2Å; L136-S139 PolarHBondContact O-N 3.24Å; L136-S139 VanDerWaalsContact O-N 3.17Å
140A64Low77.2Confident3 Ų361 Ų613%0.02530%0.299CS..SBendtrans-146.466.7-170.700000110.8A115 V118 L136A115-A140 HydrophobicContact CB-CB 4.27Å; V118-A140 HydrophobicContact CG2-CB 4.24Å; L136-A140 HydrophobicContact CD2-CB 4.21Å; L136-A140 CarbonylContact O-C 3.56Å; L136-A140 WeakPolarHBondContact O-CA 3.37Å; L136-A140 PolarHBondContact O-N 3.29Å
141R63.8Low75.9Confident187 Ų18758.9 Ų58.971%0.70630%0.297SS*.THydrogen-bonded Turntrans-64.9138.1-176.5-67.6-175.7176.7-170.3-0.9111.8A143R141-A143 PolarHBondContact O-N 3.07Å
142N65.9Low74.2Confident169 Ų16958 Ų5890%0.90430%0.296SS*.THydrogen-bonded Turntrans61.715.7175.5-53.2-11.4000116
143A76.8Confident71.9Confident7 Ų764.9 Ų64.96%0.05833%0.328CS..PPolyproline II helixtrans-66.4143.5173.200000111.9A115 V118 R141 M145A115-A143 VanDerWaalsContact O-CB 3.29Å; A115-A143 WeakPolarHBondContact O-CB 3.2Å; V118-A143 HydrophobicContact CG2-CB 3.86Å; R141-A143 PolarHBondContact O-N 3.07Å; A143-M145 HydrophobicContact CB-CE 4.31Å
144E82.2Confident69.6Low59 Ų5971.5 Ų71.528%0.27636%0.358SS..EExtended strand (participates in β ladder)trans-67.3135.3163.1-176.6172.1-147.200108.9K13 R43 N116 L117 V118K13-E144 IonicContact NZ-OE1 3.5Å; K13-E144 PolarHBondContact NZ-OE1 3.4Å; R43-E144 IonicContact CZ-OE2 2.93Å; R43-E144 IonicContact NH2-OE2 2.65Å; R43-E144 PolarHBondContact NH2-OE2 2.8Å; N116-E144 PolarHBondContact O-N 3.41Å; L117-E144 WeakPolarHBondContact CA-O 3.34Å; L117-E144 HydrophobicContact CD1-CB 4.02Å; L117-E144 HydrophobicContact CD1-CG 4.17Å; V118-E144 PolarHBondContact N-O 3Å
145M86.3Confident67.2Low9 Ų970.5 Ų70.54%0.04436%0.36CS..EExtended strand (participates in β ladder)trans-102.4121.9176.8-60.8-73.1166.600109.3T19 T20 F21 T22 V118 L136 A143T19-M145 HydrophobicContact CG2-CB 4.41Å; T19-M145 HydrophobicContact CG2-CE 4.28Å; T19-M145 HydrophobicContact CG2-CG 3.46Å; T19-M145 VanDerWaalsContact CG2-CG 3.46Å; T20-M145 PolarHBondContact O-N 3.13Å; F21-M145 CarbonylContact C-O 3.59Å; F21-M145 WeakPolarHBondContact CA-O 3.46Å; F21-M145 HydrophobicContact CD1-CB 3.38Å; F21-M145 HydrophobicContact CD1-CG 3.95Å; F21-M145 HydrophobicContact CE1-CB 3.58Å; F21-M145 HydrophobicContact CE1-CG 3.62Å; F21-M145 HydrophobicContact CE1-SD 4.36Å; F21-M145 HydrophobicContact CG-CB 4.03Å; F21-M145 HydrophobicContact CZ-CB 4.39Å; F21-M145 HydrophobicContact CZ-CG 4.06Å; T22-M145 PolarHBondContact N-O 2.97Å; V118-M145 HydrophobicContact CB-CE 4.38Å; V118-M145 HydrophobicContact CB-SD 3.69Å; V118-M145 HydrophobicContact CG1-SD 3.98Å; V118-M145 HydrophobicContact CG2-CE 4.34Å; V118-M145 HydrophobicContact CG2-SD 4.3Å; L136-M145 HydrophobicContact CB-CE 4.42Å; A143-M145 HydrophobicContact CB-CE 4.31Å
146L87.4Confident64.8Low13 Ų1374 Ų747%0.06838%0.381CS..EExtended strand (participates in β ladder)trans-111.3128.7172.1178.462.7000108.8T22 A24 F35 T39 L117 V118 I119 H120T22-L146 HydrophobicContact CG2-CD1 4.11Å; T22-L146 CarbonylContact O-C 3.51Å; T22-L146 WeakPolarHBondContact O-CA 3.38Å; A24-L146 HydrophobicContact CB-CD1 4.16Å; F35-L146 HydrophobicContact CE1-CD2 4.27Å; T39-L146 HydrophobicContact CG2-CD2 4.18Å; L117-L146 HydrophobicContact CD1-CB 4.12Å; V118-L146 PolarHBondContact O-N 3.4Å; I119-L146 CarbonylContact C-O 3.59Å; I119-L146 WeakPolarHBondContact CA-O 3.2Å; I119-L146 HydrophobicContact CD1-CD2 4.17Å; I119-L146 HydrophobicContact CG1-CB 4.27Å; I119-L146 HydrophobicContact CG1-CD2 4.15Å; I119-L146 HydrophobicContact CG2-CB 4.35Å; I119-L146 HydrophobicContact CG2-CD2 4.08Å; I119-L146 HydrophobicContact CG2-CG 4.19Å; H120-L146 PolarHBondContact N-O 3.17Å
147V87.5Confident62.5Low0 Ų083.2 Ų83.20%042%0.42CS..EExtended strand (participates in β ladder)trans-116.5122.2177.6177.40000108.5F21 T22 Y23 A24 H120 L123 T149F21-V147 HydrophobicContact CD1-CG2 4.2Å; T22-V147 PolarHBondContact O-N 3.27Å; Y23-V147 WeakPolarHBondContact CA-O 3.32Å; Y23-V147 HydrophobicContact CD1-CB 3.67Å; Y23-V147 HydrophobicContact CD1-CG1 3.6Å; Y23-V147 HydrophobicContact CD1-CG2 4.26Å; Y23-V147 HydrophobicContact CE1-CB 3.82Å; Y23-V147 HydrophobicContact CE1-CG1 3.62Å; Y23-V147 HydrophobicContact CE1-CG2 3.94Å; Y23-V147 HydrophobicContact CG-CB 4.22Å; A24-V147 PolarHBondContact N-O 3.17Å; H120-V147 HydrophobicContact CB-CG2 4.35Å; L123-V147 HydrophobicContact CD1-CG1 3.71Å; L123-V147 HydrophobicContact CD2-CG1 3.76Å; L123-V147 HydrophobicContact CG-CG1 3.91Å; V147-T149 HydrophobicContact CG1-CG2 4.45Å
148I86.5Confident60.6Low7 Ų788.8 Ų88.84%0.03644%0.438CS..EExtended strand (participates in β ladder)trans-96.6112.6171.4-63.4175.7000107.8P26 F35 L36 I119 H120P26-I148 HydrophobicContact CG-CG2 4.13Å; F35-I148 HydrophobicContact CD1-CD1 4.24Å; F35-I148 HydrophobicContact CE1-CD1 4.47Å; F35-I148 HydrophobicContact CE1-CG1 4.45Å; L36-I148 HydrophobicContact CB-CD1 4.29Å; L36-I148 HydrophobicContact CD1-CD1 4.03Å; I119-I148 HydrophobicContact CG2-CD1 4.12Å; I119-I148 HydrophobicContact CG2-CG1 4.43Å; H120-I148 PolarHBondContact O-N 2.94Å
149T76.4Confident58.5Low34 Ų3488 Ų8821%0.20945%0.451CS..  trans-85.1126.517056.20000108.9Y23 A24 S25 L123 V147Y23-T149 HydrophobicContact CD1-CG2 4.26Å; A24-T149 PolarHBondContact O-N 3.13Å; A24-T149 PolarHBondContact O-OG1 2.86Å; S25-T149 WeakPolarHBondContact CA-OG1 3.41Å; S25-T149 WeakPolarHBondContact CB-OG1 3.44Å; S25-T149 PolarHBondContact OG-OG1 3.41Å; L123-T149 HydrophobicContact CD1-CG2 4.29Å; V147-T149 HydrophobicContact CG1-CG2 4.45Å
150P58.9Low56.8Low80 Ų8098.6 Ų98.652%0.51950%0.496SS..  trans-63.1156.5168.929.7-34.4000110.6
151C52Low55Low73 Ų73101.6 Ų101.649%0.49353%0.528SS..  trans-105.2106.6170.1-1600000107.4E153C151-E153 PolarHBondContact O-N 2.66Å
152D43.8Very low53.6Low102 Ų102102 Ų10255%0.54554%0.538SS..  trans-87.388.3-172.5-61.1-32.1000110.7E154 N155D152-E154 PolarHBondContact O-N 3.23Å; D152-N155 PolarHBondContact O-N 3Å
153E39.6Very low51.7Low148 Ų148100.7 Ų100.769%0.69254%0.536SS*.THydrogen-bonded Turntrans-60.6-5.9178.8-66.5-175.417600114.3C151C151-E153 PolarHBondContact O-N 2.66Å
154E35.2Very low49.4Very low185 Ų185109.2 Ų109.286%0.86458%0.575SS**THydrogen-bonded Turntrans-77.7-18.7177.5-61.1-165.6140.800113.6D152D152-E154 PolarHBondContact O-N 3.23Å
155N29.9Very low47Very low125 Ų125111.8 Ų111.867%0.66860%0.596SS**G310 helixtrans-87.8-11.9-174.5-76.3-55.1000115.7D152 K157D152-N155 PolarHBondContact O-N 3Å; N155-K157 VanDerWaalsContact C-N 3.27Å; N155-K157 PolarHBondContact O-N 3.2Å
156E33Very low43.9Very low183 Ų183119.6 Ų119.686%0.85563%0.633SS**G310 helixtrans-82.410.1-178-69.5-159.3150.200114.9
157K32.8Very low40.8Very low194 Ų194126 Ų12684%0.84367%0.666SS**G310 helixtrans-107.4-2.4-176.4-76.9178.5-179164.30116.5N155N155-K157 VanDerWaalsContact C-N 3.27Å; N155-K157 PolarHBondContact O-N 3.2Å
158E32.9Very low37.8Very low197 Ų197131.5 Ų131.592%0.92170%0.699SS**SBendtrans-118.580.8168.2-66.6-160.6148.600110.7
159G27.3Very low34.9Very low70 Ų70139.4 Ų139.472%0.72274%0.736SS**  trans-179.920.7-175.400000120G161G159-G161 PolarHBondContact O-N 3.18Å
160K30.1Very low32.2Very low225 Ų225146 Ų14698%0.97876%0.764SS**  trans-79.587.9171-84.4-159172.2-167.60111.8
161G27.4Very low30.4Very low67 Ų67153.5 Ų153.569%0.69178%0.782SS**  trans-141.7117.8166.300000110.5G159G159-G161 PolarHBondContact O-N 3.18Å
162E34.6Very low29.2Very low196 Ų196158.1 Ų158.192%0.91680%0.798SS**  trans-84.7119.6-177.9-63.8174.6142.400110.9
163T24.4Very low28.4Very low140 Ų140158.3 Ų158.386%0.85981%0.805SS**  trans-168.7131.31513.10000111.9
164E30.2Very low27.6Very low187 Ų187159.2 Ų159.287%0.87481%0.814SS**  trans-71.4151.4151.8-57.9-176.2119.400108.3
165P29.9Very low26.9Very low112 Ų112160 Ų16073%0.72782%0.815SS**  -155.3163.278.841.3-21.1000118.9
166E21.3Very low26.7Very low173 Ų173160 Ų16081%0.80882%0.819SS**  trans36.6114.2135.6-58.6-171.9129.400123.4
167I23.7Very low26.2Very low149 Ų149158.7 Ų158.776%0.76482%0.818SS**  51.299.4110.5-62.1176.6000119.3
168V23.6Very low25.8Very low114 Ų114153.1 Ų153.169%0.69181%0.808SS**  85.3137.1129.2172.40000122.5
169Q24.9Very low25.4Very low173 Ų173151.1 Ų151.181%0.80880%0.803SS**  trans71.6128.1165.7-80.7167.366.700117.6
170Q21.3Very low25.2Very low172 Ų172154.6 Ų154.680%0.80481%0.805SS**  -153.9142.257.7-73.8-178.715.600116.5
171R20.7Very low25Very low238 Ų238148.4 Ų148.490%0.89879%0.79SS**  trans34.1123.9142.5-67.7-178.9172.1163.4-1.5123.1
172M25.8Very low24.8Very low170 Ų170153 Ų15384%0.83780%0.795SS**  trans-32158.2139.8-75.4-178.980.300115.4
173P26.9Very low24.2Very low106 Ų106152.1 Ų152.169%0.68879%0.791SS**  cis-148166.839.442.1-22.8000119.5
174L22.8Very low24.3Very low168 Ų168152.6 Ų152.688%0.8879%0.788SS**  trans-108136.3146.7-85.6165.8000108.7
175K21.8Very low23.9Very low201 Ų201153.6 Ų153.687%0.87479%0.785SS**  trans-90.6145.7178.6-84.2-173.2170.7-172.90111.5
176V25.5Very low23.6Very low125 Ų125156.5 Ų156.576%0.75879%0.789SS**  trans-91.4147.5158177.80000108.3
177D23.1Very low23.8Very low156 Ų156154.5 Ų154.583%0.83478%0.782SS**  trans148.9140.6153.8-81.3-19.1000110
178A24.6Very low23.8Very low77 Ų77156.6 Ų156.664%0.63679%0.786SS**  cis-163.1-167.8-1000000109.8
179L23Very low23.9Very low155 Ų155158.9 Ų158.981%0.81279%0.789SS**  trans77.8136.7-178.4-69.573.7000114.9
180N23.4Very low23.8Very low143 Ų143158.3 Ų158.377%0.76579%0.792SS**  cis-139.3165.54.1-127.7-4.5000114.6
181S25.3Very low23.9Very low95 Ų95156.4 Ų156.466%0.66479%0.792SS**  trans-87.7156.4-160.1400000116.6
182M23.7Very low25.3Very low164 Ų164150.6 Ų150.681%0.80879%0.785SS**  trans25.8129.4142.2-59.4170.559.500119.5
183Q23.2Very low26.1Very low177 Ų177147.7 Ų147.783%0.82778%0.779SS**  -167.6151.788.3-99.4-178.2-1.900111.9
184L25.2Very low26.1Very low150 Ų150148.8 Ų148.879%0.78578%0.784SS**  trans-140.7123.2174.3-157.9162.4000106.2
185Y22.9Very low26.3Very low208 Ų208145.3 Ų145.382%0.81677%0.773SS**  trans-152.5146.2171.7-107.4-74000110.7
186E23.4Very low26.5Very low172 Ų172139.5 Ų139.580%0.80476%0.758SS**  trans-104.5-149.7-174.1-53.1175.4106.700111.7
187I25.5Very low26.7Very low131 Ų131141.6 Ų141.667%0.67276%0.76SS**  trans82.796.4159-33.1176.4000115.7
188K22.5Very low26.8Very low194 Ų194141.1 Ų141.184%0.84376%0.757SS**  -168.3153.896.4-97.3-168.8179.7-173.20114.7
189E25.8Very low26.9Very low161 Ų161146.5 Ų146.575%0.75276%0.762SS**  trans-77.8163.3178.5-54.7137.3107.600112.8
190N23Very low27.1Very low162 Ų162146.8 Ų146.887%0.86676%0.757SS**  -175.3145.2121.1-94.8-35.9000113.1
191T24.9Very low27.3Very low132 Ų132143.7 Ų143.781%0.8175%0.751SS**  trans-163.8164176.833.90000110.2
192P48.7Very low27.5Very low115 Ų115147 Ų14775%0.74776%0.756SS**  cis-106.8-107.4-26.133.9-15.1000106.7
193P43.5Very low27.8Very low109 Ų109143.5 Ų143.571%0.70875%0.753SS**  cis-78.9-160-2735.8-27.4000110.3
194T25.6Very low28Very low130 Ų130141.5 Ų141.580%0.79875%0.748SS**  cis-156.3174.712.8-14.10000106.2
195S27.3Very low28Very low94 Ų94140 Ų14066%0.65775%0.745SS**  cis-155.8-160.9958.90000111.7
196S27.1Very low28.2Very low80 Ų80136.8 Ų136.856%0.55974%0.741SS**  trans-36.9161.7155.140.40000117.4
197E28.2Very low28.3Very low169 Ų169135.2 Ų135.279%0.7974%0.738SS**  cis-157.8171.5-7.1-105.8140.2-168.100106.2
198D26.6Very low28.4Very low145 Ų145134.2 Ų134.278%0.77574%0.742SS**  cis-165.3-168.542.5-149.9-25.1000112.5
199Y26.9Very low28.4Very low190 Ų190129.6 Ų129.675%0.74574%0.74SS**  trans-100145.7-158.8-83-101.3000120
200K26Very low28.4Very low161 Ų161126 Ų12670%0.774%0.738SS**  trans29.6130.3137.3-72.9-168.5172.3-160.80124.3
201A28.3Very low28.5Very low79 Ų79124.6 Ų124.665%0.65374%0.736SS**  56.7-176113.900000120.8
202E30.2Very low28.4Very low164 Ų164122.6 Ų122.677%0.76673%0.732SS**  cis-162.8155.7-0.1-131.9136.9-119.400106.5
203A28.4Very low27.2Very low90 Ų90121.6 Ų121.674%0.74473%0.733SS**  cis-118.1-101.7-8.400000111
204D27.4Very low26.2Very low136 Ų136122.4 Ų122.473%0.72774%0.737SS**  cis-162.7169.6-15.6-1476.6000106.3
205V25.5Very low26.2Very low118 Ų118123.3 Ų123.372%0.71574%0.735SS**  cis-139158.416178.20000112.1
206L27.4Very low26.2Very low140 Ų140124.3 Ų124.373%0.73374%0.74SS**  trans-38.6172.6165.5-46.3169.8000118.5
207L26.2Very low26.1Very low140 Ų140127.3 Ų127.373%0.73375%0.749SS**  cis-164.4135.921.2-167.280000115
208S26.3Very low25.9Very low110 Ų110126.9 Ų126.977%0.76975%0.752SS**  trans61.2166.5153.173.10000120
209A23.9Very low25.9Very low96 Ų96126.6 Ų126.679%0.79375%0.751SS**  cis-147.91762.900000112.1
210A25.5Very low25.7Very low85 Ų85127.2 Ų127.270%0.70276%0.757SS**  trans-99.7-175.4173.300000111.6
211T24.7Very low25.6Very low134 Ų134128.6 Ų128.682%0.82277%0.766SS**  cis-166.6160.222.3-23.10000112.5
212A22.4Very low25.4Very low90 Ų90133.9 Ų133.974%0.74478%0.777SS**  trans69.8135.1140.600000125
213A22.8Very low25.2Very low93 Ų93134 Ų13477%0.76978%0.778SS**  trans61.3128.514400000120.6
214T23.2Very low25Very low126 Ų126136.8 Ų136.877%0.77378%0.779SS**  -169.5154.870.9-64.60000111.3
215I26.2Very low24.8Very low149 Ų149136.9 Ų136.976%0.76478%0.78SS**  trans-110.1133.9168.1-57.9171.4000109.1
216P26.1Very low24.8Very low116 Ų116138.8 Ų138.875%0.75379%0.785SS**  -125.1153.5128.81.519.9000112.3
217N25.8Very low24.7Very low143 Ų143135.5 Ų135.577%0.76577%0.774SS**  trans-66.3152.9162.8-69.7-21.2000110.2
218D23.9Very low24.9Very low159 Ų159134.8 Ų134.885%0.8578%0.775SS**  -152.3157.9120.9-133.7-28.6000112.4
219N25.9Very low25.1Very low139 Ų139136.5 Ų136.574%0.74377%0.77SS**  trans-89.5136.9-171.8-64.4-73000113
220K23.4Very low25.3Very low204 Ų204137.3 Ų137.389%0.88776%0.762SS**  -174.9126.9125-103.4158.1-173174.40113.3
221E24.1Very low25.5Very low189 Ų189136.5 Ų136.588%0.88376%0.755SS**  trans-76.2140.3160.6-60.5165.2131.200109.4
222Q24.3Very low25.8Very low190 Ų190134.5 Ų134.589%0.88874%0.742SS**  trans-144.8100.3158.2-98.2-170.8-24.200109.4
223E24.6Very low26.2Very low167 Ų167137.7 Ų137.778%0.7874%0.742SS**  trans-68.1135.3166.1-59.5-174129.900110.1
224I24.2Very low26.5Very low149 Ų149140.7 Ų140.776%0.76474%0.738SS**  trans-10389.9170.5-58.3-179000108.5L226I224-L226 HydrophobicContact CG2-CG 4.37Å; I224-L226 PolarHBondContact O-N 3.28Å
225N23.8Very low26.9Very low138 Ų138140.5 Ų140.574%0.73873%0.731SS**  trans-76.3114167.4-82.2-74.4000109.5
226L25.2Very low27.1Very low157 Ų157140.5 Ų140.582%0.82273%0.732SS**  trans-89.8107.9173.7-78.7164.4000110.1I224I224-L226 HydrophobicContact CG2-CG 4.37Å; I224-L226 PolarHBondContact O-N 3.28Å
227S26.1Very low27.1Very low72 Ų72139.5 Ų139.550%0.50373%0.734SS.*  trans-70.5152.4169.7-169.20000111.3E229S227-E229 VanDerWaalsContact C-N 3.29Å; S227-E229 PolarHBondContact OG-OE2 2.99Å
228V30.5Very low27.2Very low124 Ų124136.4 Ų136.475%0.75272%0.723SS**SBendtrans-80.5-11.6-179.3178.20000112.1D230V228-D230 PolarHBondContact O-N 3.05Å
229E30.7Very low27.4Very low146 Ų146137.6 Ų137.668%0.68272%0.721SS**THydrogen-bonded Turntrans-69-35.2-171.1-68.1155.4139.400113.3S227 A231 T232S227-E229 VanDerWaalsContact C-N 3.29Å; S227-E229 PolarHBondContact OG-OE2 2.99Å; E229-A231 PolarHBondContact O-N 3.13Å; E229-A231 VanDerWaalsContact O-N 3.14Å; E229-T232 PolarHBondContact O-N 2.74Å; E229-T232 VanDerWaalsContact O-N 3.12Å; E229-T232 PolarHBondContact O-OG1 3.38Å
230D28.8Very low27.5Very low114 Ų114139.8 Ų139.861%0.6173%0.727SS**Hα-helixtrans-63.5-18.8-178.5-118.848.6000114.4V228 T232V228-D230 PolarHBondContact O-N 3.05Å; D230-T232 VanDerWaalsContact C-N 3.35Å
231A29.3Very low27.5Very low68 Ų68139 Ų13956%0.56273%0.732SS**Hα-helixtrans-77.1-22.617800000112.8E229E229-A231 PolarHBondContact O-N 3.13Å; E229-A231 VanDerWaalsContact O-N 3.14Å
232T31.3Very low27.5Very low91 Ų91133.4 Ų133.456%0.55872%0.724SS**Hα-helixtrans-84-37.2-169.5-4.90000113.6E229 D230 L235E229-T232 PolarHBondContact O-N 2.74Å; E229-T232 VanDerWaalsContact O-N 3.12Å; E229-T232 PolarHBondContact O-OG1 3.38Å; D230-T232 VanDerWaalsContact C-N 3.35Å; T232-L235 PolarHBondContact O-N 3.47Å
233E30.1Very low27.5Very low157 Ų157130.1 Ų130.173%0.73472%0.722SS**Hα-helixtrans-68.1-37.8-177.9-63.8-161.5133.900112.6L235 L236E233-L235 PolarHBondContact O-N 3.05Å; E233-L235 VanDerWaalsContact O-N 3.13Å; E233-L236 PolarHBondContact O-N 3.17Å; E233-L236 VanDerWaalsContact O-N 3.16Å
234K29Very low27.4Very low156 Ų156128 Ų12868%0.67872%0.721SS**THydrogen-bonded Turntrans-67-13.1-179.9-72169.3-177.41510114
235L32.2Very low27.5Very low123 Ų123128.2 Ų128.264%0.64472%0.724SS**THydrogen-bonded Turntrans-91.2-14.2176-81.4166.5000114.2T232 E233T232-L235 PolarHBondContact O-N 3.47Å; E233-L235 PolarHBondContact O-N 3.05Å; E233-L235 VanDerWaalsContact O-N 3.13Å
236L29.7Very low27.5Very low148 Ų148127.1 Ų127.178%0.77573%0.727SS**THydrogen-bonded Turntrans-91.4-26.9177.6-73.7167.7000112.9E233 S238E233-L236 PolarHBondContact O-N 3.17Å; E233-L236 VanDerWaalsContact O-N 3.16Å; L236-S238 PolarHBondContact O-N 2.95Å; L236-S238 VanDerWaalsContact O-N 3.15Å
237A27Very low27.5Very low96 Ų96124.5 Ų124.579%0.79373%0.728SS**THydrogen-bonded Turntrans-78.212.1-177.400000115.5
238S27.9Very low27.3Very low78 Ų78125.9 Ų125.955%0.54574%0.744SS.*THydrogen-bonded Turntrans-123.712-171.951.20000115.4L236L236-S238 PolarHBondContact O-N 2.95Å; L236-S238 VanDerWaalsContact O-N 3.15Å
239F28.1Very low27.1Very low183 Ų183127.1 Ų127.180%0.80375%0.751SS**SBendtrans-123.326.9-177.9-85.1-74.4000115.5
240E26.4Very low26.7Very low186 Ų186127.3 Ų127.387%0.86976%0.757SS**  trans-128.1104.8167.6-69.4-164.3157.900112
241L24.2Very low26.6Very low187 Ų187130.1 Ų130.198%0.97977%0.766SS**  trans-176.1135.2151.1-108.4161.1000111.4
242G23.5Very low26.4Very low71 Ų71131.8 Ų131.873%0.73277%0.774SS**  trans100.768150.300000119.4
243S24.1Very low26.1Very low121 Ų121132.9 Ų132.985%0.84679%0.785SS**  -170.1125.1120.850.50000111.4
244T24Very low26.4Very low122 Ų122131.1 Ų131.175%0.74879%0.787SS**  trans-80.6155.2163.951.90000109.9
245D25Very low26.2Very low154 Ų154128.8 Ų128.882%0.82480%0.798SS**  -173.8167.9108.3-91.91.6000112.4
246S24.5Very low25.8Very low116 Ų116127.9 Ų127.981%0.81181%0.808SS**  trans-70.7142.6-164.655.90000116
247A24.4Very low25.5Very low102 Ų102125.9 Ų125.984%0.84381%0.813SS**  -160134.3120.100000110.3
248A23Very low25.4Very low101 Ų101130.3 Ų130.384%0.83581%0.814SS**  trans-116.5133.5170.200000109.5
249V25.8Very low25.1Very low150 Ų150136.1 Ų136.191%0.90983%0.83SS**  trans-140.7138.5161.2-175.10000106.6
250D23.4Very low24.9Very low150 Ų150134 Ų13480%0.80283%0.827SS**  trans-106.6-155.6-174.8-155.5-27.9000110
251E25.5Very low24.7Very low172 Ų172129.2 Ų129.280%0.80482%0.819SS**  trans86.871.7165.8-54.4-161.4153.400118.5
252S25.1Very low24.7Very low103 Ų103126.4 Ų126.472%0.7281%0.812SS**  30.9113116.859.30000122
253S25.9Very low24.7Very low114 Ų114128.9 Ų128.980%0.79781%0.813SS**  77.1-176.1123.9-132.90000117.9
254P36.8Very low24.7Very low120 Ų120134.2 Ų134.278%0.77982%0.816SS**  -131.4166.2-108.740.1-21.5000116.5
255A24.3Very low24.7Very low108 Ų108133 Ų13389%0.89381%0.812SS**  trans-139.9142.1165.100000111.3
256A23.4Very low25.1Very low104 Ų104130.5 Ų130.586%0.8681%0.805SS**  trans-116.9143.6-177.400000111.9
257A24.5Very low25Very low106 Ų106135.3 Ų135.388%0.87681%0.811SS**  trans-133.7110.9167.200000109.6
258K22.8Very low25Very low189 Ų189136.2 Ų136.282%0.82281%0.806SS**  trans-88.2141.7166.9-64.9175177.7176.90108.3
259F23.2Very low25.2Very low200 Ų200137.3 Ų137.388%0.87780%0.803SS**  trans-150.6118.7139.5-111.4-70.6000113.1
260N23.6Very low25.1Very low137 Ų137139.3 Ų139.373%0.73380%0.802SS**  trans-11.8138.2170.8-51.6-15.6000120.3
261A22.7Very low25.3Very low86 Ų86139.3 Ų139.371%0.71180%0.802SS**  trans-81.4160.6149.500000111.3
262P24Very low25.4Very low129 Ų129137.2 Ų137.284%0.83880%0.804SS**  trans-88.1138.1158.933.9-29.2000111
263V22.9Very low25.9Very low122 Ų122138 Ų13874%0.73980%0.804SS**  trans-114.4132.9168.1172.70000108
264Y23.3Very low26.3Very low234 Ų234141.8 Ų141.892%0.91881%0.806SS**  trans-140.5147.9153.2-103.9-80.3000110
265S24.1Very low26.2Very low96 Ų96140.6 Ų140.667%0.67180%0.8SS**  trans-126.3-157.7-165.851.90000110.9
266P33.9Very low26.5Very low102 Ų102142 Ų14266%0.66279%0.792SS**  -108.9166.9-97.238.3-26.5000113
267F23.1Very low27.1Very low217 Ų217143 Ų14395%0.95278%0.783SS**  trans-133162.1161.4-94.5-81.2000112
268V24.1Very low27.4Very low121 Ų121141.3 Ų141.373%0.73377%0.769SS**  trans-121.2140.5-1541660000111.1
269T26.3Very low27.9Very low124 Ų124138.8 Ų138.876%0.76176%0.76SS**  trans12.8133.4167.560.50000120.5
270E23.6Very low28.5Very low191 Ų191136.4 Ų136.489%0.89375%0.75SS**  -153.9152.8119.8-118.8168.1-152.300111.8
271N28.2Very low29Very low150 Ų150136.3 Ų136.380%0.80275%0.745SS**  trans-94151.7173.1-80.6-44.4000109.6
272P28.1Very low29.4Very low129 Ų129139 Ų13984%0.83874%0.743SS**  -136.912811934.3-23.1000113.6
273T34.2Very low29.7Very low119 Ų119138.8 Ų138.873%0.7373%0.734SS**  trans-94.2166.5160.8440000110.6
274K34.2Very low30.2Very low194 Ų194137.5 Ų137.584%0.84373%0.726SS**  trans7991179.8-52175.9-179.5178.30116
275S34.7Very low30.5Very low94 Ų94133.8 Ų133.866%0.65772%0.715SS**SBendtrans-157.3-41.3151.8-171.80000112D277 A278S275-D277 PolarHBondContact O-N 3.28Å; S275-A278 PolarHBondContact O-N 3.24Å
276L32.3Very low30.6Very low137 Ų137133.1 Ų133.172%0.71771%0.71SS**Hα-helixtrans-67.8-26.2-171.3-76157000116.2A278L276-A278 PolarHBondContact O-N 2.96Å
277D35Very low30.2Very low127 Ų127137.3 Ų137.368%0.67972%0.718SS**Hα-helixtrans-67.5-20.3179.3-62-56.2000113.4S275 Q281S275-D277 PolarHBondContact O-N 3.28Å; D277-Q281 PolarHBondContact O-N 2.81Å
278A31.2Very low30.2Very low70 Ų70135.7 Ų135.758%0.57971%0.711SS**Hα-helixtrans-76.6-52-177.800000112.1S275 L276 F280 Q281 E282S275-A278 PolarHBondContact O-N 3.24Å; L276-A278 PolarHBondContact O-N 2.96Å; A278-F280 VanDerWaalsContact C-N 3.3Å; A278-F280 PolarHBondContact O-N 2.84Å; A278-Q281 PolarHBondContact O-N 2.87Å; A278-E282 PolarHBondContact O-N 2.85Å
279E34.1Very low30.2Very low136 Ų136135.8 Ų135.864%0.63671%0.711SS**Hα-helixtrans-62.5-38.1-180-65.6-177.4122.500111.5Q281 E282 L283E279-Q281 PolarHBondContact O-N 2.82Å; E279-E282 PolarHBondContact O-N 3.18Å; E279-L283 PolarHBondContact O-N 3.42Å; E279-L283 VanDerWaalsContact O-N 3.11Å
280F34.4Very low30.1Very low149 Ų149138.4 Ų138.465%0.65472%0.715SS**Hα-helixtrans-65.7-37.8178.8-161.6-103000112.6A278 V284A278-F280 VanDerWaalsContact C-N 3.3Å; A278-F280 PolarHBondContact O-N 2.84Å; F280-V284 HydrophobicContact CE1-CG2 4.48Å; F280-V284 WeakPolarHBondContact O-CG2 3.22Å; F280-V284 PolarHBondContact O-N 3.41Å
281Q33.8Very low30.3Very low135 Ų135137.2 Ų137.263%0.63172%0.715SS**Hα-helixtrans-75.7-20.1176.1-74.1-160.21600114.2D277 A278 E279D277-Q281 PolarHBondContact O-N 2.81Å; A278-Q281 PolarHBondContact O-N 2.87Å; E279-Q281 PolarHBondContact O-N 2.82Å
282E31.5Very low30Very low144 Ų144136 Ų13667%0.67371%0.712SS**Hα-helixtrans-77.6-41.8172.7-166.9150.3-119.100111.1A278 E279 V284 K285A278-E282 PolarHBondContact O-N 2.85Å; E279-E282 PolarHBondContact O-N 3.18Å; E282-V284 VanDerWaalsContact C-N 3.28Å; E282-V284 PolarHBondContact O-N 2.97Å; E282-K285 WeakPolarHBondContact O-CB 3.14Å; E282-K285 PolarHBondContact O-N 2.88Å
283L31.8Very low29.8Very low124 Ų124140.2 Ų140.265%0.64972%0.718SS**Hα-helixtrans-59.2-38176.2-150.2112.5000112.4E279 K285 S286E279-L283 PolarHBondContact O-N 3.42Å; E279-L283 VanDerWaalsContact O-N 3.11Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 2.95Å; L283-S286 PolarHBondContact O-N 2.92Å; L283-S286 PolarHBondContact O-OG 3.47Å
284V33Very low29.3Very low95 Ų95143.2 Ų143.258%0.57672%0.721SS**THydrogen-bonded Turntrans-66.3-20.3177169.80000113.9F280 E282F280-V284 HydrophobicContact CE1-CG2 4.48Å; F280-V284 WeakPolarHBondContact O-CG2 3.22Å; F280-V284 PolarHBondContact O-N 3.41Å; E282-V284 VanDerWaalsContact C-N 3.28Å; E282-V284 PolarHBondContact O-N 2.97Å
285K28.4Very low28.8Very low156 Ų156140.9 Ų140.968%0.67872%0.718SS**THydrogen-bonded Turntrans-78.8-18.8179-71.5170.4-173.3165.80113.9E282 L283E282-K285 WeakPolarHBondContact O-CB 3.14Å; E282-K285 PolarHBondContact O-N 2.88Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 2.95Å
286S27Very low28.2Very low82 Ų82145.2 Ų145.257%0.57373%0.73SS**SBendtrans-76-23.8-177.165.90000114.6L283 K288L283-S286 PolarHBondContact O-N 2.92Å; L283-S286 PolarHBondContact O-OG 3.47Å; S286-K288 PolarHBondContact O-N 3.07Å
287F25.1Very low27.8Very low189 Ų189146.1 Ų146.183%0.82974%0.735SS**SBendtrans-94.752-173.8-92.9-85.4000114
288K23.6Very low27.2Very low184 Ų184148 Ų14880%0.875%0.745SS**  trans-139.3145.3169.4-77.5-170.8174178.30112.7S286S286-K288 PolarHBondContact O-N 3.07Å
289V24.7Very low26.9Very low122 Ų122149.9 Ų149.974%0.73975%0.751SS**  trans94.596.4164.8-173.40000118.2
290Q24Very low26.6Very low180 Ų180149 Ų14984%0.84176%0.757SS**  trans67.8144.6131.9-64.7173.4-14.200123.6
291N26.6Very low26.1Very low166 Ų166147.5 Ų147.589%0.88876%0.762SS**  trans-69117.8164.7-64.2-41.4000112.3
292V22.3Very low25.6Very low124 Ų124147.2 Ų147.275%0.75277%0.772SS**  trans-148.8122.6139-1770000108.9
293F24Very low25.3Very low218 Ų218145.8 Ų145.896%0.95678%0.778SS**  trans-137.1115.9158-91.3-74.5000110.9
294K23.9Very low24.9Very low181 Ų181146.4 Ų146.479%0.78779%0.787SS**  trans-139.6128.5165.3-111-175.6178.9178.30107.7
295N23.4Very low24.4Very low146 Ų146147 Ų14778%0.78180%0.795SS**  trans40.5117.7159.3-54.7-0.9000118.6
296M21.6Very low24.2Very low185 Ų185147 Ų14791%0.91180%0.801SS**  -161.2169.5102.2-104.6-176.7-171.900112.2
297N24.1Very low24.1Very low156 Ų156152.5 Ų152.583%0.83482%0.817SS**  trans-87.3156.3-162.9-55.1-45.8000113.6
298L23.4Very low24Very low167 Ų167151.9 Ų151.987%0.87482%0.817SS**  trans-128.7163.1164.3-80.2169.5000110.3
299P25.2Very low24.4Very low109 Ų109148.5 Ų148.571%0.70881%0.814SS**PPolyproline II helixtrans-78.3165.9-159.8-14.931.4000115
300P25.9Very low24.3Very low118 Ų118149.6 Ų149.677%0.76682%0.82SS**PPolyproline II helixtrans-69.4146.1174.930.1-35.3000112.1
301P25.6Very low24.4Very low117 Ų117146 Ų14676%0.7682%0.815SS**PPolyproline II helixtrans-74.6156.4173.932.4-35.5000111.9
302P23.1Very low24.2Very low129 Ų129144.1 Ų144.184%0.83882%0.815SS**PPolyproline II helixtrans-68151.1170.430.4-34.9000111.7
303S23.9Very low24.3Very low113 Ų113143 Ų14379%0.7982%0.819SS**PPolyproline II helixtrans-96.8172.5173.353.40000112
304V23.4Very low24.3Very low138 Ų138138.8 Ų138.884%0.83682%0.816SS**  trans115.9130.2-176.4166.60000110.6
305S22.3Very low24.3Very low108 Ų108134.5 Ų134.576%0.75582%0.815SS**  cis-156.2164.7-19.9-93.50000108.6
306I25.9Very low24.3Very low156 Ų156132.7 Ų132.780%0.881%0.814SS**  trans-95.8130.1178.7-60.4166.6000110.4
307E23.2Very low24.4Very low196 Ų196131.2 Ų131.292%0.91681%0.81SS**  trans-138.5125152.1-69.6-165.8150.700110
308E23.7Very low24.5Very low177 Ų177134.4 Ų134.483%0.82781%0.811SS**  trans-89.1155.1157.2-60.5-173.5140.300107.9
309P32.3Very low24.4Very low112 Ų112138.1 Ų138.173%0.72781%0.814SS**  -156.515191.338.2-18.4000118.7
310V22.8Very low24.4Very low145 Ų145141.1 Ų141.188%0.87982%0.818SS**  trans74.9158.5137.2169.90000119.5
311S25Very low24.3Very low104 Ų104144.8 Ų144.873%0.72783%0.825SS**  trans-108.3163-164.257.40000114.5
312S23.8Very low24.3Very low128 Ų128145.6 Ų145.690%0.89582%0.822SS**  trans-175.8174.1130.643.40000110.2
313A23.5Very low24.3Very low100 Ų100147.2 Ų147.283%0.82682%0.823SS**  trans-123.9143.2-173.200000112.5
314S24.2Very low24.4Very low129 Ų129147 Ų14790%0.90282%0.817SS**  trans-164.8172154.148.40000109.6
315A23.4Very low24.4Very low91 Ų91147.5 Ų147.575%0.75282%0.821SS**  trans-119.9-179.3-171.100000112.8
316S23.9Very low24.6Very low109 Ų109147.8 Ų147.876%0.76282%0.823SS**  trans102140.3161.874.70000119.7
317D24.7Very low24.7Very low154 Ų154148.6 Ų148.682%0.82483%0.828SS**  trans79.7144.5152-69.28.6000124.1
318Y24.3Very low24.7Very low223 Ų223146.7 Ų146.788%0.87582%0.824SS**  trans-91.2147.6-170.8-73.3-115.1000111.6
319R23.1Very low24.8Very low244 Ų244143.2 Ų143.292%0.92182%0.819SS**  -168.8161.5115.9-103.5159.4-168.1-158.32.6112.9
320H25.1Very low24.4Very low173 Ų173146.6 Ų146.680%0.80183%0.829SS**  trans-67.7144.2178-71.9-97.3000112.3
321Q23.2Very low24.5Very low194 Ų194150.3 Ų150.391%0.90783%0.827SS**  -140.3142.5124.5-122.8164.4-16.600109.3
322I24.5Very low24.5Very low135 Ų135151.8 Ų151.869%0.69283%0.832SS**  trans-103133.9172.3-63.3169.1000105.4T324I322-T324 HydrophobicContact CG2-CG2 4.36Å
323D23.4Very low24.6Very low162 Ų162152 Ų15287%0.86683%0.828SS**  trans-144.2149155.9-123.6-37.2000111
324T26.1Very low24.8Very low109 Ų109155.8 Ų155.867%0.66983%0.826SS**  trans-122.3120-166.252.90000111.8I322I322-T324 HydrophobicContact CG2-CG2 4.36Å
325T24Very low25.4Very low148 Ų148153.6 Ų153.691%0.90880%0.804SS**  trans177.2121.1142.231.30000110.8
326S25.6Very low26Very low114 Ų114153.6 Ų153.680%0.79780%0.798SS**  trans-179.6101.6133.5-1710000109.5D328S326-D328 PolarHBondContact O-N 3.25Å
327L28.6Very low26.9Very low173 Ų173151.7 Ų151.791%0.90678%0.783SS**  trans-85.591.5170.2-87.5155.8000108.6
328D24.1Very low27.9Very low157 Ų157144.5 Ų144.584%0.8475%0.745SS**  trans-176.982.4153.2-103.6-22.2000112.9S326S326-D328 PolarHBondContact O-N 3.25Å
329S24.8Very low28.6Very low104 Ų104137.9 Ų137.973%0.72773%0.732SS**  trans-17459.1159.355.20000114.4R331S329-R331 PolarHBondContact O-N 3.03Å
330I25Very low29.9Very low183 Ų183127.2 Ų127.294%0.93869%0.693SS**  trans-75.378.7161.9-55.2-178.8000108.4
331R24Very low30.4Very low223 Ų223121 Ų12184%0.84267%0.671SS**  trans-88.4140161-75.2-174.6173.5178.4-0.5108.6S329 V333S329-R331 PolarHBondContact O-N 3.03Å; R331-V333 PolarHBondContact O-N 3.4Å
332T25.8Very low31.3Very low135 Ų135115 Ų11583%0.82865%0.648SS**  trans-55.8122.3177.535.80000110.7K334T332-K334 PolarHBondContact O-N 3.06Å
333V24.6Very low32Very low132 Ų132113.8 Ų113.880%0.865%0.647SS**  trans-62.4111.3168.8177.30000106.8R331 D335R331-V333 PolarHBondContact O-N 3.4Å; V333-D335 PolarHBondContact O-N 3.14Å
334K28.8Very low32.7Very low180 Ų180106.7 Ų106.778%0.78361%0.609SS**  trans-64.8121.7167.7-74.3-175.2174.4-177.60107.7T332 S336T332-K334 PolarHBondContact O-N 3.06Å; K334-S336 PolarHBondContact O-N 3.4Å; K334-S336 PolarHBondContact O-OG 3.35Å
335D36.8Very low33.7Very low82 Ų82104.8 Ų104.844%0.43959%0.592SS.*  trans-50.6106.4171.4-73.9-53.6000108.6V333V333-D335 PolarHBondContact O-N 3.14Å
336S35.2Very low34.6Very low91 Ų91104.3 Ų104.364%0.63659%0.594SS**  trans-81.7142.5-176.7-65.20000109.3K334 A338K334-S336 PolarHBondContact O-N 3.4Å; K334-S336 PolarHBondContact O-OG 3.35Å; S336-A338 PolarHBondContact O-N 2.6Å
337P44.5Very low35.6Very low69 Ų69100.8 Ų100.845%0.44857%0.572SS.*  trans-56.7124-170.821.5-33.3000111.4S339P337-S339 PolarHBondContact O-N 3.1Å; P337-S339 VanDerWaalsContact O-N 3.1Å
338A44.4Very low37.1Very low3 Ų399.4 Ų99.43%0.02557%0.571CS.*BIsolated β-bridgetrans-67.3113-170.300000110.6S336 L340 L611 Y760 L765S336-A338 PolarHBondContact O-N 2.6Å; A338-L340 PolarHBondContact O-N 3.36Å; A338-L611 PolarHBondContact N-O 2.89Å; A338-Y760 HydrophobicContact CB-CE1 4.17Å; A338-L765 HydrophobicContact CB-CB 4.47Å; A338-L765 HydrophobicContact CB-CD1 4.4Å
339S39.3Very low39.5Very low85 Ų8593.2 Ų93.259%0.59454%0.544SS*.  trans-74.798.6177.2-171.10000110.7P337 A341P337-S339 PolarHBondContact O-N 3.1Å; P337-S339 VanDerWaalsContact O-N 3.1Å; S339-A341 PolarHBondContact O-N 3.44Å
340L50.4Low42.3Very low19 Ų1991.9 Ų91.910%0.09953%0.528CS..  trans-7714.4175.7-87.7151.3000113.5A338 V342 V605 G608 V609 L611 L765A338-L340 PolarHBondContact O-N 3.36Å; L340-V342 PolarHBondContact O-N 2.94Å; L340-V605 HydrophobicContact CD2-CB 4.09Å; L340-V605 HydrophobicContact CD2-CG1 3.7Å; L340-V605 HydrophobicContact CD2-CG2 3.93Å; L340-G608 WeakPolarHBondContact O-CA 3.29Å; L340-V609 WeakPolarHBondContact CB-O 3.49Å; L340-V609 WeakPolarHBondContact CD1-O 3.42Å; L340-L611 HydrophobicContact CD1-CB 4.05Å; L340-L765 HydrophobicContact CD1-CD1 4.2Å; L340-L765 HydrophobicContact CD2-CD1 4.2Å; L340-L765 HydrophobicContact CD2-CD2 3.57Å; L340-L765 HydrophobicContact CD2-CG 4.44Å; L340-L765 HydrophobicContact CG-CD1 4.29Å; L340-L765 HydrophobicContact CG-CD2 3.78Å
341A36Very low45.1Very low43 Ų4384.2 Ų84.236%0.35549%0.49SS..  trans-97.586.4-167.900000114S339S339-A341 PolarHBondContact O-N 3.44Å
342V41.3Very low48Very low68 Ų6875.1 Ų75.141%0.41246%0.455SS..  trans-100138.1154.9-178.60000108.3L340 P344 T579 R736L340-V342 PolarHBondContact O-N 2.94Å; V342-P344 WeakPolarHBondContact O-CD 3.49Å; V342-T579 HydrophobicContact CB-CG2 3.81Å; V342-T579 HydrophobicContact CG1-CG2 4.21Å; V342-T579 HydrophobicContact CG2-CG2 4.29Å; V342-R736 PolarHBondContact O-NH1 3.09Å
343V38.5Very low50.8Low110 Ų11071.2 Ų71.267%0.66743%0.43SS*.  trans-97.5104.9-173.4-1780000112.4
344P39.4Very low53.6Low12 Ų1268.5 Ų68.58%0.07841%0.411CS..  trans-97.5156.7151.735.7-35.6000112V342 V583 R736V342-P344 WeakPolarHBondContact O-CD 3.49Å; P344-V583 HydrophobicContact CB-CG1 3.93Å; P344-V583 HydrophobicContact CB-CG2 3.76Å; P344-V583 HydrophobicContact CG-CG2 3.79Å; P344-R736 PolarHBondContact O-NH2 3.44Å
345F47.8Very low56.4Low70 Ų7065.6 Ų65.631%0.30740%0.395SS..  trans66.7100.7169.4-52.1-62.9000118.1A347 W360 L587 Y606F345-A347 VanDerWaalsContact C-N 3.34Å; F345-W360 AromaticContact CD1-CH2 3.98Å; F345-W360 HydrophobicContact CD1-CH2 3.98Å; F345-W360 HydrophobicContact CD1-CZ2 4.44Å; F345-W360 HydrophobicContact CE1-CH2 4.03Å; F345-W360 HydrophobicContact CE1-CZ3 4.32Å; F345-W360 HydrophobicContact CE2-CZ3 4.49Å; F345-W360 HydrophobicContact CG-CH2 4.26Å; F345-W360 HydrophobicContact CG-CZ2 4.35Å; F345-W360 HydrophobicContact CZ-CH2 4.34Å; F345-W360 HydrophobicContact CZ-CZ3 4.24Å; F345-L587 HydrophobicContact CE2-CD1 3.73Å; F345-L587 HydrophobicContact CZ-CB 4.22Å; F345-L587 HydrophobicContact CZ-CD1 3.52Å; F345-L587 HydrophobicContact CZ-CD2 4.07Å; F345-L587 HydrophobicContact CZ-CG 4.14Å; F345-Y606 HydrophobicContact CE2-CE2 4.37Å
346S41.2Very low58.7Low137 Ų13763.7 Ų63.796%0.95840%0.396SS*.  trans-88.34.3158.553.20000113.6
347A46.3Very low61.3Low40 Ų4059.4 Ų59.433%0.33137%0.365SS..SBendtrans-101138.3-170.300000112.8F345 G349 R362F345-A347 VanDerWaalsContact C-N 3.34Å; A347-G349 PolarHBondContact O-N 3.18Å; A347-R362 VanDerWaalsContact CB-NH1 3.34Å
348V62Low63.6Low145 Ų14556.2 Ų56.288%0.87935%0.345SS*.  trans-59.3134.5174.1-176.50000110.4
349G72.8Confident65.9Low27 Ų2756.1 Ų56.128%0.27834%0.344SS..  trans-161.5165.4178.700000111.1A347A347-G349 PolarHBondContact O-N 3.18Å
350I83.5Confident68.4Low76 Ų7652.9 Ų52.939%0.3932%0.319SS..EExtended strand (participates in β ladder)trans-101.8125.3-173-54173.9000109.6Y352 W360 S361 A364I350-Y352 HydrophobicContact CB-CE2 4.15Å; I350-Y352 HydrophobicContact CG2-CD1 4.42Å; I350-Y352 HydrophobicContact CG2-CE1 3.73Å; I350-Y352 HydrophobicContact CG2-CE2 3.99Å; I350-Y352 VanDerWaalsContact CG2-CZ 3.47Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.39Å; I350-Y352 WeakPolarHBondContact O-CE2 3.36Å; I350-W360 WeakPolarHBondContact O-CA 3.43Å; I350-S361 PolarHBondContact N-O 2.85Å; I350-S361 PolarHBondContact O-N 3.17Å; I350-S361 VanDerWaalsContact O-N 3.13Å; I350-A364 HydrophobicContact CD1-CB 4.37Å
351T85.1Confident70.3Confident22 Ų2252 Ų5214%0.13531%0.314CS..EExtended strand (participates in β ladder)trans-102.9119.8175.9-54.20000112.1L358 G359 L730 K731T351-L358 HydrophobicContact CG2-CD1 3.63Å; T351-L358 HydrophobicContact CG2-CG 4.35Å; T351-G359 CarbonylContact C-O 3.56Å; T351-G359 VanDerWaalsContact CA-O 3.3Å; T351-G359 WeakPolarHBondContact CA-O 3.36Å; T351-L730 PolarHBondContact OG1-O 2.74Å; T351-K731 HydrophobicContact CG2-CG 3.98Å; T351-K731 WeakPolarHBondContact O-CE 3.5Å
352Y85.4Confident72.6Confident31 Ų3155 Ų5512%0.12232%0.316CS..EExtended strand (participates in β ladder)trans-97.2146.5176.8-49.1-85.7000110.1I350 L358 G359 H363 A364 V365 F401I350-Y352 HydrophobicContact CB-CE2 4.15Å; I350-Y352 HydrophobicContact CG2-CD1 4.42Å; I350-Y352 HydrophobicContact CG2-CE1 3.73Å; I350-Y352 HydrophobicContact CG2-CE2 3.99Å; I350-Y352 VanDerWaalsContact CG2-CZ 3.47Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.39Å; I350-Y352 WeakPolarHBondContact O-CE2 3.36Å; Y352-L358 WeakPolarHBondContact O-CA 3.49Å; Y352-G359 PolarHBondContact N-O 2.7Å; Y352-G359 PolarHBondContact O-N 2.86Å; Y352-H363 PolarHBondContact OH-O 2.92Å; Y352-A364 VanDerWaalsContact OH-CA 3.28Å; Y352-A364 WeakPolarHBondContact OH-CA 3.4Å; Y352-V365 HydrophobicContact CE2-CB 4.34Å; Y352-V365 PolarHBondContact OH-N 2.96Å; Y352-F401 HydrophobicContact CD1-CE1 4.41Å; Y352-F401 HydrophobicContact CG-CE1 4.19Å
353N83.3Confident74.6Confident54 Ų5454.4 Ų54.429%0.28931%0.309SS..  trans-144.645.6176.572.1-29000112.6V357 L358 Y727 K731N353-V357 CarbonylContact C-O 3.27Å; N353-V357 WeakPolarHBondContact CA-O 3.46Å; N353-L358 HydrophobicContact CB-CD1 4.37Å; N353-Y727 HydrophobicContact CB-CD2 4.07Å; N353-Y727 HydrophobicContact CB-CG 4.4Å; N353-K731 WeakPolarHBondContact OD1-CE 3.47Å; N353-K731 PolarHBondContact OD1-NZ 3.41Å
354N84.6Confident77Confident75 Ų7553.2 Ų53.240%0.40131%0.31SS..  trans-108.2151.3-173.3-54.635.2000110.4G356 V357 F401N354-G356 PolarHBondContact O-N 3.32Å; N354-V357 PolarHBondContact N-O 3.27Å; N354-V357 PolarHBondContact O-N 3.47Å; N354-F401 HydrophobicContact CB-CZ 4.12Å
355Y85.9Confident79.3Confident118 Ų11853.2 Ų53.246%0.46331%0.31SS..THydrogen-bonded Turntrans59.422179.1-42.4-66.6000115.5P367 A397 R400 F401Y355-P367 HydrophobicContact CE2-CB 4.11Å; Y355-P367 HydrophobicContact CE2-CG 4Å; Y355-A397 WeakPolarHBondContact O-CB 3.48Å; Y355-R400 VanDerWaalsContact CD1-NH1 3.31Å; Y355-F401 HydrophobicContact CD2-CE2 4.17Å; Y355-F401 HydrophobicContact CD2-CZ 4.22Å
356G85.4Confident81.4Confident43 Ų4355.7 Ų55.744%0.44333%0.33SS..THydrogen-bonded Turntrans89.7-8.3-17900000115N354 Y727N354-G356 PolarHBondContact O-N 3.32Å; G356-Y727 VanDerWaalsContact O-CE2 3.31Å; G356-Y727 WeakPolarHBondContact O-CE2 3.48Å; G356-Y727 PolarHBondContact O-OH 2.94Å
357V90.6Very high83.8Confident0 Ų050.8 Ų50.80%030%0.296CS..  trans-98132.7-179.3164.70000110.8N353 N354 A397 V398 F401 L596 F597 D598N353-V357 CarbonylContact C-O 3.27Å; N353-V357 WeakPolarHBondContact CA-O 3.46Å; N354-V357 PolarHBondContact N-O 3.27Å; N354-V357 PolarHBondContact O-N 3.47Å; V357-A397 HydrophobicContact CG2-CB 3.5Å; V357-A397 VanDerWaalsContact CG2-CB 3.5Å; V357-V398 HydrophobicContact CG1-CG1 4.24Å; V357-V398 HydrophobicContact CG2-CG1 3.61Å; V357-F401 HydrophobicContact CB-CE2 4.16Å; V357-F401 HydrophobicContact CG1-CD2 4.18Å; V357-F401 HydrophobicContact CG1-CE2 4.12Å; V357-L596 HydrophobicContact CG1-CB 4.35Å; V357-L596 HydrophobicContact CG1-CD2 4Å; V357-F597 VanDerWaalsContact CA-O 3.32Å; V357-F597 WeakPolarHBondContact CA-O 3.42Å; V357-D598 HydrophobicContact CG2-CB 4.42Å
358L92.8Very high85.9Confident3 Ų349.2 Ų49.22%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-85.2126161.4-173.280.1000108.5T351 Y352 N353 F597 A603 Y727 L730T351-L358 HydrophobicContact CG2-CD1 3.63Å; T351-L358 HydrophobicContact CG2-CG 4.35Å; Y352-L358 WeakPolarHBondContact O-CA 3.49Å; N353-L358 HydrophobicContact CB-CD1 4.37Å; L358-F597 HydrophobicContact CB-CB 4.33Å; L358-F597 HydrophobicContact CD2-CD2 4.21Å; L358-F597 PolarHBondContact N-O 3.5Å; L358-F597 PolarHBondContact O-N 3.35Å; L358-A603 HydrophobicContact CB-CB 4.41Å; L358-A603 HydrophobicContact CD2-CB 3.89Å; L358-Y727 HydrophobicContact CB-CD1 4.04Å; L358-Y727 HydrophobicContact CB-CE1 3.77Å; L358-Y727 HydrophobicContact CB-CE2 4.29Å; L358-Y727 HydrophobicContact CB-CG 4.39Å; L358-Y727 HydrophobicContact CD1-CD1 4.04Å; L358-Y727 HydrophobicContact CD1-CG 4.03Å; L358-Y727 HydrophobicContact CG-CD1 4.44Å; L358-L730 HydrophobicContact CD1-CB 4.22Å; L358-L730 HydrophobicContact CD1-CD1 4.41Å; L358-L730 HydrophobicContact CD2-CB 4.26Å; L358-L730 HydrophobicContact CD2-CD1 3.57Å; L358-L730 HydrophobicContact CD2-CG 4.49Å
359G92.6Very high87.2Confident0 Ų047.4 Ų47.40%026%0.26CS..EExtended strand (participates in β ladder)trans-121.1146.8173.700000111.6T351 Y352 V595T351-G359 CarbonylContact C-O 3.56Å; T351-G359 VanDerWaalsContact CA-O 3.3Å; T351-G359 WeakPolarHBondContact CA-O 3.36Å; Y352-G359 PolarHBondContact N-O 2.7Å; Y352-G359 PolarHBondContact O-N 2.86Å; G359-V595 CarbonylContact C-O 3.58Å; G359-V595 VanDerWaalsContact CA-O 3.29Å; G359-V595 WeakPolarHBondContact CA-O 3.29Å
360W91.9Very high87.8Confident18 Ų1846.5 Ų46.57%0.06825%0.25CS..EExtended strand (participates in β ladder)trans-135.3132.6170-179.889.1000110.6F345 I350 R362 V593 L594 V595F345-W360 AromaticContact CD1-CH2 3.98Å; F345-W360 HydrophobicContact CD1-CH2 3.98Å; F345-W360 HydrophobicContact CD1-CZ2 4.44Å; F345-W360 HydrophobicContact CE1-CH2 4.03Å; F345-W360 HydrophobicContact CE1-CZ3 4.32Å; F345-W360 HydrophobicContact CE2-CZ3 4.49Å; F345-W360 HydrophobicContact CG-CH2 4.26Å; F345-W360 HydrophobicContact CG-CZ2 4.35Å; F345-W360 HydrophobicContact CZ-CH2 4.34Å; F345-W360 HydrophobicContact CZ-CZ3 4.24Å; I350-W360 WeakPolarHBondContact O-CA 3.43Å; W360-R362 HydrophobicContact CH2-CG 4.19Å; W360-V593 HydrophobicContact CE3-CG1 4.42Å; W360-V593 HydrophobicContact CZ3-CG1 3.87Å; W360-L594 WeakPolarHBondContact O-CA 3.26Å; W360-V595 HydrophobicContact CE3-CG2 4.21Å; W360-V595 PolarHBondContact N-O 2.73Å; W360-V595 PolarHBondContact O-N 2.97Å
361S90.4Very high87.8Confident0 Ų043.3 Ų43.30%023%0.234CC..EExtended strand (participates in β ladder)trans-152.4158169.3-168.70000111.5I350 H363 V593I350-S361 PolarHBondContact N-O 2.85Å; I350-S361 PolarHBondContact O-N 3.17Å; I350-S361 VanDerWaalsContact O-N 3.13Å; S361-H363 PolarHBondContact O-N 2.82Å; S361-H363 PolarHBondContact OG-N 3.03Å; S361-V593 WeakPolarHBondContact CB-O 3.42Å; S361-V593 PolarHBondContact OG-O 3.39Å
362R83.6Confident87.7Confident107 Ų10747.6 Ų47.640%0.40426%0.261SS..SBendtrans-65.5-24.9167.8-58.7-177.4-171.4-843112.7A347 W360 P591A347-R362 VanDerWaalsContact CB-NH1 3.34Å; W360-R362 HydrophobicContact CH2-CG 4.19Å; R362-P591 WeakPolarHBondContact CD-O 3.33Å; R362-P591 PolarHBondContact NE-O 2.87Å
363H84.4Confident87.7Confident55 Ų5551.2 Ų51.226%0.25528%0.278SS..SBendtrans-104.8155.2-172.7-64.4-88.6000112.1Y352 S361 V365 K410 D592Y352-H363 PolarHBondContact OH-O 2.92Å; S361-H363 PolarHBondContact O-N 2.82Å; S361-H363 PolarHBondContact OG-N 3.03Å; H363-V365 PolarHBondContact O-N 3.33Å; H363-K410 PolarHBondContact CE1-NZ 3.28Å; H363-K410 PolarHBondContact ND1-NZ 3.38Å; H363-D592 IonicContact CD2-OD1 3.67Å; H363-D592 IonicContact CE1-OD1 2.68Å; H363-D592 IonicContact NE2-OD1 3.05Å; H363-D592 PolarHBondContact NE2-OD1 3.03Å
364A87.4Confident87.7Confident85 Ų8548.7 Ų48.770%0.70227%0.265SS*.  trans-66.4126.2166.900000110.1I350 Y352I350-A364 HydrophobicContact CD1-CB 4.37Å; Y352-A364 VanDerWaalsContact OH-CA 3.28Å; Y352-A364 WeakPolarHBondContact OH-CA 3.4Å
365V89.3Confident87.4Confident11 Ų1147.4 Ų47.47%0.06726%0.261CS..  trans-122.7113.4177.3-179.30000108.7Y352 H363 F401 L594Y352-V365 HydrophobicContact CE2-CB 4.34Å; Y352-V365 PolarHBondContact OH-N 2.96Å; H363-V365 PolarHBondContact O-N 3.33Å; V365-F401 HydrophobicContact CG1-CB 4.26Å; V365-F401 HydrophobicContact CG1-CD1 4.3Å; V365-L594 HydrophobicContact CG1-CD2 4.36Å; V365-L594 HydrophobicContact CG2-CD1 4.33Å; V365-L594 HydrophobicContact CG2-CD2 4.44Å
366V90.1Very high87.3Confident122 Ų12246.7 Ų46.774%0.73927%0.265SS*.PPolyproline II helixtrans-88.5118.1173.9-178.20000108.2P404V366-P404 WeakPolarHBondContact O-CG 3.4Å
367P91.9Very high87.4Confident35 Ų3544.8 Ų44.823%0.22725%0.245CC..PPolyproline II helixtrans-77.9134.3-177.629.1-33000112.4Y355 R400 F401Y355-P367 HydrophobicContact CE2-CB 4.11Å; Y355-P367 HydrophobicContact CE2-CG 4Å; P367-R400 CarbonylContact C-O 3.53Å; P367-R400 WeakPolarHBondContact CA-O 3.42Å; P367-R400 HydrophobicContact CB-CB 4.09Å; P367-F401 HydrophobicContact CB-CD1 3.85Å; P367-F401 HydrophobicContact CB-CE1 3.84Å; P367-F401 HydrophobicContact CB-CG 4.3Å; P367-F401 HydrophobicContact CB-CZ 4.29Å; P367-F401 HydrophobicContact CG-CD1 4.39Å; P367-F401 HydrophobicContact CG-CE1 3.98Å
368C91.5Very high87.4Confident6 Ų646.3 Ų46.34%0.04126%0.255CS..PPolyproline II helixtrans-84.2141.3171.762.80000111.5E373 R400C368-E373 HydrophobicContact CB-CB 3.69Å; C368-R400 PolarHBondContact N-O 3.03Å; C368-R400 WeakPolarHBondContact O-CA 3.22Å; C368-R400 VanDerWaalsContact O-CB 3.23Å; C368-R400 WeakPolarHBondContact O-CB 3.4Å; C368-R400 VanDerWaalsContact O-CG 3.22Å; C368-R400 WeakPolarHBondContact O-CG 3.34Å; C368-R400 PolarHBondContact SG-O 2.96Å
369Y88.3Confident87.2Confident108 Ų10851.3 Ų51.342%0.42429%0.286SS..SBendtrans-79.3-33177.1-172.1-93.1000113E373 R394 A395 R400Y369-E373 VanDerWaalsContact CB-OE2 3.24Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.46Å; Y369-E373 PolarHBondContact N-OE2 2.9Å; Y369-R394 HydrophobicContact CD1-CB 4.43Å; Y369-R394 HydrophobicContact CE1-CB 3.94Å; Y369-A395 WeakPolarHBondContact O-CB 3.28Å; Y369-A395 PolarHBondContact O-N 3.11Å; Y369-R400 VanDerWaalsContact CD2-NH2 3.34Å; Y369-R400 PolarHBondContact O-NH2 3.04Å; Y369-R400 VanDerWaalsContact O-NH2 3.13Å
370G86.2Confident87.1Confident7 Ų754.2 Ų54.27%0.07230%0.301CS..SBendtrans-153.1-179.7-177.700000114.1T372 E373 A374G370-T372 PolarHBondContact O-N 2.9Å; G370-E373 PolarHBondContact O-N 2.97Å; G370-E373 VanDerWaalsContact O-N 3.14Å; G370-A374 PolarHBondContact O-N 3.08Å
371L84Confident87.2Confident10 Ų1053.3 Ų53.35%0.05230%0.298CS..THydrogen-bonded Turntrans-63.6-17.6-177.7-78.3171.1000114.5R382 M385 Q386 A391 W403L371-R382 HydrophobicContact CB-CG 4.43Å; L371-R382 VanDerWaalsContact O-CD 3.32Å; L371-R382 WeakPolarHBondContact O-CD 3.42Å; L371-R382 VanDerWaalsContact O-CZ 3.27Å; L371-R382 PolarHBondContact O-NE 2.93Å; L371-R382 PolarHBondContact O-NH1 2.86Å; L371-M385 HydrophobicContact CD1-CB 4.08Å; L371-M385 HydrophobicContact CD2-CE 3.64Å; L371-M385 HydrophobicContact CD2-SD 3.71Å; L371-Q386 HydrophobicContact CD1-CG 4.28Å; L371-A391 HydrophobicContact CD1-CB 4.01Å; L371-A391 HydrophobicContact CG-CB 4.04Å; L371-W403 HydrophobicContact CD2-CE3 4.18Å; L371-W403 HydrophobicContact CD2-CH2 3.51Å; L371-W403 HydrophobicContact CD2-CZ2 4.21Å; L371-W403 HydrophobicContact CD2-CZ3 3.48Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.48Å; L371-W403 HydrophobicContact CG-CH2 3.94Å; L371-W403 HydrophobicContact CG-CZ3 3.88Å
372T82.9Confident87.2Confident112 Ų11256 Ų5669%0.68731%0.308SS*.THydrogen-bonded Turntrans-68.3-40.3173.238.40000112.2G370 R382G370-T372 PolarHBondContact O-N 2.9Å; T372-R382 VanDerWaalsContact C-NH1 3.32Å; T372-R382 PolarHBondContact O-NH1 3Å
373E84.6Confident87.4Confident106 Ų10658.1 Ų58.150%0.49532%0.316SS..THydrogen-bonded Turntrans-91.8-8.2-174.1-68.2153.1-123.600113.6C368 Y369 G370 P375C368-E373 HydrophobicContact CB-CB 3.69Å; Y369-E373 VanDerWaalsContact CB-OE2 3.24Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.46Å; Y369-E373 PolarHBondContact N-OE2 2.9Å; G370-E373 PolarHBondContact O-N 2.97Å; G370-E373 VanDerWaalsContact O-N 3.14Å; E373-P375 WeakPolarHBondContact O-CD 3.42Å
374A83.6Confident87.8Confident1 Ų155.5 Ų55.51%0.00830%0.304CS..  trans-69.6118.1176.200000110.1G370 I377 R382 W403G370-A374 PolarHBondContact O-N 3.08Å; A374-I377 HydrophobicContact CB-CD1 3.8Å; A374-I377 HydrophobicContact CB-CG1 4.23Å; A374-R382 PolarHBondContact O-NH2 3.34Å; A374-W403 HydrophobicContact CB-CB 4.3Å; A374-W403 HydrophobicContact CB-CE3 4.01Å
375P77.3Confident88Confident48 Ų4851.5 Ų51.531%0.31227%0.27SS..SBendtrans-72.1149179.529.4-32.7000111E373 I377 P404 S407E373-P375 WeakPolarHBondContact O-CD 3.42Å; P375-I377 PolarHBondContact O-N 3.29Å; P375-P404 HydrophobicContact CG-CB 3.77Å; P375-S407 WeakPolarHBondContact O-CB 3.39Å; P375-S407 PolarHBondContact O-OG 3.04Å
376D83.7Confident88Confident103 Ų10355.9 Ų55.955%0.55129%0.29SS*.SBendtrans59.1-0.5173.1-42.7-39.6000117.6S378 Q432D376-S378 PolarHBondContact O-N 3.07Å; D376-Q432 PolarHBondContact O-NE2 2.57Å
377I88.1Confident87.8Confident4 Ų455.7 Ų55.72%0.02128%0.281CS..  trans-73.8121.1163.1-53.4-173.1000108.6A374 P375 I381 R382 W403A374-I377 HydrophobicContact CB-CD1 3.8Å; A374-I377 HydrophobicContact CB-CG1 4.23Å; P375-I377 PolarHBondContact O-N 3.29Å; I377-I381 HydrophobicContact CG2-CB 4.04Å; I377-I381 HydrophobicContact CG2-CG2 3.57Å; I377-R382 HydrophobicContact CG2-CG 3.98Å; I377-R382 PolarHBondContact O-NE 2.88Å; I377-R382 PolarHBondContact O-NH2 3.33Å; I377-W403 HydrophobicContact CD1-CB 4.22Å; I377-W403 HydrophobicContact CD1-CD2 4.26Å; I377-W403 HydrophobicContact CD1-CG 4.06Å
378S90.1Very high87.7Confident32 Ų3256.7 Ų56.722%0.22428%0.283CS..  trans-65.4155-179.363.10000113.4D376 I380 I381 R382 Q432D376-S378 PolarHBondContact O-N 3.07Å; S378-I380 PolarHBondContact O-N 3.32Å; S378-I381 PolarHBondContact O-N 2.86Å; S378-I381 WeakPolarHBondContact OG-CB 3.45Å; S378-I381 VanDerWaalsContact OG-CG1 3.31Å; S378-I381 WeakPolarHBondContact OG-CG1 3.36Å; S378-I381 PolarHBondContact OG-N 3.32Å; S378-R382 VanDerWaalsContact O-CG 3.29Å; S378-R382 WeakPolarHBondContact O-CG 3.32Å; S378-R382 PolarHBondContact O-N 3Å; S378-Q432 VanDerWaalsContact CB-OE1 3.24Å; S378-Q432 PolarHBondContact OG-OE1 2.61Å
379T89.7Confident87.4Confident108 Ų10857.7 Ų57.766%0.66330%0.295SS*.Hα-helixtrans-60.4-32.4175.749.90000112.8R383T379-R383 PolarHBondContact O-N 3.04Å
380I91.2Very high87.3Confident60 Ų6053.4 Ų53.431%0.30828%0.28SS..Hα-helixtrans-64-51.9175.3-61.3176.1000110.5S378 R382 R383 A384 L473 L474S378-I380 PolarHBondContact O-N 3.32Å; I380-R382 VanDerWaalsContact C-N 3.35Å; I380-R382 PolarHBondContact O-N 3.42Å; I380-R383 WeakPolarHBondContact O-CB 3.37Å; I380-R383 PolarHBondContact O-N 3.34Å; I380-R383 VanDerWaalsContact O-N 3.13Å; I380-A384 PolarHBondContact O-N 3.42Å; I380-L473 VanDerWaalsContact CG2-C 3.46Å; I380-L473 HydrophobicContact CG2-CB 3.81Å; I380-L473 WeakPolarHBondContact CG2-O 3.4Å; I380-L474 HydrophobicContact CB-CD2 4.11Å; I380-L474 HydrophobicContact CD1-CD2 4.26Å; I380-L474 HydrophobicContact CG2-CD2 3.86Å; I380-L474 HydrophobicContact CG2-CG 4.31Å
381I92.4Very high87.1Confident0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-64.4-38.8178.4-70.7-75.5000111.3I377 S378 R383 A384 M385 P428 Q432 L470 L474I377-I381 HydrophobicContact CG2-CB 4.04Å; I377-I381 HydrophobicContact CG2-CG2 3.57Å; S378-I381 PolarHBondContact O-N 2.86Å; S378-I381 WeakPolarHBondContact OG-CB 3.45Å; S378-I381 VanDerWaalsContact OG-CG1 3.31Å; S378-I381 WeakPolarHBondContact OG-CG1 3.36Å; S378-I381 PolarHBondContact OG-N 3.32Å; I381-R383 VanDerWaalsContact C-N 3.31Å; I381-R383 PolarHBondContact O-N 3.21Å; I381-A384 PolarHBondContact O-N 2.82Å; I381-M385 HydrophobicContact CG2-CG 4.36Å; I381-M385 HydrophobicContact CG2-SD 3.98Å; I381-M385 WeakPolarHBondContact O-CB 3.47Å; I381-M385 VanDerWaalsContact O-CG 3.24Å; I381-M385 WeakPolarHBondContact O-CG 3.32Å; I381-M385 PolarHBondContact O-N 3.46Å; I381-P428 HydrophobicContact CG2-CB 3.68Å; I381-Q432 HydrophobicContact CG1-CB 4.1Å; I381-Q432 HydrophobicContact CG1-CG 4.23Å; I381-L470 HydrophobicContact CD1-CB 3.93Å; I381-L470 HydrophobicContact CD1-CD2 4.02Å; I381-L470 WeakPolarHBondContact CD1-O 3.13Å; I381-L470 HydrophobicContact CG2-CD2 4.23Å; I381-L474 HydrophobicContact CD1-CD1 4.16Å; I381-L474 HydrophobicContact CD1-CG 4.43Å; I381-L474 HydrophobicContact CG1-CD2 4.32Å
382R90.8Very high86.6Confident55 Ų5562.7 Ų62.721%0.20832%0.317CS..Hα-helixtrans-57.1-42.9172.4-67.3171.7-154.4-142.76.6111.6L371 T372 A374 I377 S378 I380 M385 Q386L371-R382 HydrophobicContact CB-CG 4.43Å; L371-R382 VanDerWaalsContact O-CD 3.32Å; L371-R382 WeakPolarHBondContact O-CD 3.42Å; L371-R382 VanDerWaalsContact O-CZ 3.27Å; L371-R382 PolarHBondContact O-NE 2.93Å; L371-R382 PolarHBondContact O-NH1 2.86Å; T372-R382 VanDerWaalsContact C-NH1 3.32Å; T372-R382 PolarHBondContact O-NH1 3Å; A374-R382 PolarHBondContact O-NH2 3.34Å; I377-R382 HydrophobicContact CG2-CG 3.98Å; I377-R382 PolarHBondContact O-NE 2.88Å; I377-R382 PolarHBondContact O-NH2 3.33Å; S378-R382 VanDerWaalsContact O-CG 3.29Å; S378-R382 WeakPolarHBondContact O-CG 3.32Å; S378-R382 PolarHBondContact O-N 3Å; I380-R382 VanDerWaalsContact C-N 3.35Å; I380-R382 PolarHBondContact O-N 3.42Å; R382-M385 PolarHBondContact O-N 2.75Å; R382-Q386 VanDerWaalsContact O-CG 3.28Å; R382-Q386 WeakPolarHBondContact O-CG 3.44Å; R382-Q386 PolarHBondContact O-N 2.79Å
383R88.9Confident86.4Confident153 Ų15362.5 Ų62.558%0.57732%0.32SS*.Hα-helixtrans-64.9-45176.4-175.2-175.7-68.1154.5-2.7112T379 I380 I381 M385 Q386 Q387T379-R383 PolarHBondContact O-N 3.04Å; I380-R383 WeakPolarHBondContact O-CB 3.37Å; I380-R383 PolarHBondContact O-N 3.34Å; I380-R383 VanDerWaalsContact O-N 3.13Å; I381-R383 VanDerWaalsContact C-N 3.31Å; I381-R383 PolarHBondContact O-N 3.21Å; R383-M385 VanDerWaalsContact C-N 3.34Å; R383-M385 PolarHBondContact O-N 2.98Å; R383-Q386 PolarHBondContact O-N 3.42Å; R383-Q387 WeakPolarHBondContact O-CG 3.38Å; R383-Q387 PolarHBondContact O-N 3.28Å
384A91.1Very high86.4Confident0 Ų064.7 Ų64.70%032%0.323CS..Hα-helixtrans-58.2-46175.800000111.7I380 I381 Q386 Q387 M388 L470 L473I380-A384 PolarHBondContact O-N 3.42Å; I381-A384 PolarHBondContact O-N 2.82Å; A384-Q386 PolarHBondContact O-N 2.95Å; A384-Q387 PolarHBondContact O-N 3.19Å; A384-M388 HydrophobicContact CB-CE 4.26Å; A384-M388 WeakPolarHBondContact O-CE 3.44Å; A384-M388 PolarHBondContact O-N 3.39Å; A384-M388 VanDerWaalsContact O-N 3.15Å; A384-L470 HydrophobicContact CB-CD2 4.02Å; A384-L473 HydrophobicContact CB-CD1 3.65Å
385M91.9Very high86.8Confident0 Ų064.7 Ų64.70%032%0.323CS..Hα-helixtrans-60.1-44.1175.8-71.6177.378.700112.4L371 I381 R382 R383 M388 G389 V390 W403 W424 P428 L470L371-M385 HydrophobicContact CD1-CB 4.08Å; L371-M385 HydrophobicContact CD2-CE 3.64Å; L371-M385 HydrophobicContact CD2-SD 3.71Å; I381-M385 HydrophobicContact CG2-CG 4.36Å; I381-M385 HydrophobicContact CG2-SD 3.98Å; I381-M385 WeakPolarHBondContact O-CB 3.47Å; I381-M385 VanDerWaalsContact O-CG 3.24Å; I381-M385 WeakPolarHBondContact O-CG 3.32Å; I381-M385 PolarHBondContact O-N 3.46Å; R382-M385 PolarHBondContact O-N 2.75Å; R383-M385 VanDerWaalsContact C-N 3.34Å; R383-M385 PolarHBondContact O-N 2.98Å; M385-M388 CarbonylContact O-C 3.59Å; M385-M388 PolarHBondContact O-N 2.82Å; M385-G389 PolarHBondContact O-N 3.21Å; M385-V390 HydrophobicContact CB-CB 4.11Å; M385-V390 HydrophobicContact CE-CB 4.36Å; M385-V390 HydrophobicContact CE-CG1 3.63Å; M385-V390 WeakPolarHBondContact O-CB 3.37Å; M385-V390 PolarHBondContact O-N 2.93Å; M385-W403 HydrophobicContact CE-CH2 3.98Å; M385-W403 HydrophobicContact CE-CZ2 3.51Å; M385-W424 HydrophobicContact CE-CE3 4.2Å; M385-W424 HydrophobicContact CE-CZ3 4.47Å; M385-W424 HydrophobicContact CG-CZ3 4.09Å; M385-P428 HydrophobicContact CE-CB 4.18Å; M385-P428 HydrophobicContact CE-CG 3.41Å; M385-P428 VanDerWaalsContact CE-CG 3.41Å; M385-P428 HydrophobicContact CG-CG 4.34Å; M385-P428 HydrophobicContact SD-CB 3.56Å; M385-P428 VanDerWaalsContact SD-CB 3.56Å; M385-P428 HydrophobicContact SD-CG 3.47Å; M385-P428 WeakPolarHBondContact SD-CG 3.38Å; M385-L470 HydrophobicContact CG-CD2 3.97Å
386Q88.8Confident87.4Confident104 Ų10468.5 Ų68.549%0.48633%0.332SS..Hα-helixtrans-62.6-41.1177.6-75.2168.8-23.800112.7L371 R382 R383 A384 G389L371-Q386 HydrophobicContact CD1-CG 4.28Å; R382-Q386 VanDerWaalsContact O-CG 3.28Å; R382-Q386 WeakPolarHBondContact O-CG 3.44Å; R382-Q386 PolarHBondContact O-N 2.79Å; R383-Q386 PolarHBondContact O-N 3.42Å; A384-Q386 PolarHBondContact O-N 2.95Å; Q386-G389 WeakPolarHBondContact O-CA 3.4Å; Q386-G389 PolarHBondContact O-N 3.26Å
387Q87.7Confident87.8Confident117 Ų11764.6 Ų64.655%0.54731%0.314SS..Hα-helixtrans-60.4-45.3175.1-73174.8-15.400111.6R383 A384 G389R383-Q387 WeakPolarHBondContact O-CG 3.38Å; R383-Q387 PolarHBondContact O-N 3.28Å; A384-Q387 PolarHBondContact O-N 3.19Å; Q387-G389 PolarHBondContact O-N 3.2Å; Q387-G389 VanDerWaalsContact O-N 3.1Å
388M88.3Confident88Confident56 Ų5664.4 Ų64.428%0.27631%0.313SS..THydrogen-bonded Turntrans-70.43.7172.4-71.7178.6-79.700114.4A384 M385 V390 W424 T469 L470A384-M388 HydrophobicContact CB-CE 4.26Å; A384-M388 WeakPolarHBondContact O-CE 3.44Å; A384-M388 PolarHBondContact O-N 3.39Å; A384-M388 VanDerWaalsContact O-N 3.15Å; M385-M388 CarbonylContact O-C 3.59Å; M385-M388 PolarHBondContact O-N 2.82Å; M388-V390 VanDerWaalsContact C-N 3.25Å; M388-V390 HydrophobicContact CB-CG2 4.19Å; M388-V390 PolarHBondContact O-N 2.98Å; M388-W424 HydrophobicContact CE-CH2 3.7Å; M388-W424 HydrophobicContact CE-CZ3 4.45Å; M388-W424 HydrophobicContact SD-CH2 3.75Å; M388-W424 HydrophobicContact SD-CZ2 4.11Å; M388-T469 HydrophobicContact CE-CG2 3.72Å; M388-T469 HydrophobicContact CG-CG2 3.87Å; M388-T469 HydrophobicContact SD-CG2 3.67Å; M388-L470 HydrophobicContact CE-CD2 3.74Å; M388-L470 HydrophobicContact CE-CG 3.93Å
389G86.1Confident88.2Confident28 Ų2863 Ų6329%0.28930%0.303SS..THydrogen-bonded Turntrans74.98.217900000115.3M385 Q386 Q387 A391M385-G389 PolarHBondContact O-N 3.21Å; Q386-G389 WeakPolarHBondContact O-CA 3.4Å; Q386-G389 PolarHBondContact O-N 3.26Å; Q387-G389 PolarHBondContact O-N 3.2Å; Q387-G389 VanDerWaalsContact O-N 3.1Å; G389-A391 PolarHBondContact O-N 3.28Å
390V86.1Confident88.4Confident18 Ų1858.4 Ų58.411%0.10927%0.273CS..THydrogen-bonded Turntrans-72.5123.5179.2-174.60000109.5M385 M388 R392 W424M385-V390 HydrophobicContact CB-CB 4.11Å; M385-V390 HydrophobicContact CE-CB 4.36Å; M385-V390 HydrophobicContact CE-CG1 3.63Å; M385-V390 WeakPolarHBondContact O-CB 3.37Å; M385-V390 PolarHBondContact O-N 2.93Å; M388-V390 VanDerWaalsContact C-N 3.25Å; M388-V390 HydrophobicContact CB-CG2 4.19Å; M388-V390 PolarHBondContact O-N 2.98Å; V390-R392 VanDerWaalsContact C-N 3.29Å; V390-R392 PolarHBondContact O-N 2.91Å; V390-W424 HydrophobicContact CG1-CD2 4.27Å; V390-W424 HydrophobicContact CG1-CE3 4.11Å; V390-W424 HydrophobicContact CG2-CD2 3.9Å; V390-W424 HydrophobicContact CG2-CE3 3.98Å; V390-W424 HydrophobicContact CG2-CH2 3.98Å; V390-W424 HydrophobicContact CG2-CZ2 3.86Å; V390-W424 HydrophobicContact CG2-CZ3 4.03Å
391A80.9Confident88.5Confident20 Ų2055.6 Ų55.617%0.16526%0.259CS..THydrogen-bonded Turntrans53.235.5175.500000115.9L371 G389 S393 R394 W403L371-A391 HydrophobicContact CD1-CB 4.01Å; L371-A391 HydrophobicContact CG-CB 4.04Å; G389-A391 PolarHBondContact O-N 3.28Å; A391-S393 PolarHBondContact O-N 3.1Å; A391-R394 WeakPolarHBondContact CA-O 3.32Å; A391-R394 WeakPolarHBondContact CB-O 3.48Å; A391-W403 HydrophobicContact CB-CH2 3.78Å; A391-W403 HydrophobicContact CB-CZ3 4.49Å
392R75.6Confident88.7Confident192 Ų19255.6 Ų55.673%0.72526%0.259SS*.SBendtrans-45.6-36.1177.5-76.8-177.3176.3161.85.7114.9V390V390-R392 VanDerWaalsContact C-N 3.29Å; V390-R392 PolarHBondContact O-N 2.91Å
393S76.7Confident88.9Confident108 Ų10853 Ų5376%0.75525%0.249SC*.SBendtrans-121.2-27.9179.757.70000114.7A391A391-S393 PolarHBondContact O-N 3.1Å
394R86.3Confident89Confident151 Ų15146.4 Ų46.457%0.5723%0.226SC*.  trans-164153.8178.262.8-174.4-179.1-172.1-0.1111.9Y369 A391Y369-R394 HydrophobicContact CD1-CB 4.43Å; Y369-R394 HydrophobicContact CE1-CB 3.94Å; A391-R394 WeakPolarHBondContact CA-O 3.32Å; A391-R394 WeakPolarHBondContact CB-O 3.48Å
395A90.4Very high89.1Confident1 Ų146.6 Ų46.61%0.00823%0.227CC..  trans-69.5143.1169.600000111Y369 Q399 R400 W403Y369-A395 WeakPolarHBondContact O-CB 3.28Å; Y369-A395 PolarHBondContact O-N 3.11Å; A395-Q399 HydrophobicContact CB-CB 4.45Å; A395-R400 HydrophobicContact CB-CG 3.93Å; A395-R400 PolarHBondContact O-NE 3.25Å; A395-R400 PolarHBondContact O-NH2 2.63Å; A395-W403 HydrophobicContact CB-CE3 4.13Å; A395-W403 HydrophobicContact CB-CH2 3.98Å; A395-W403 HydrophobicContact CB-CZ3 3.51Å
396R91.5Very high89.2Confident128 Ų12846.6 Ų46.648%0.48323%0.227SC..  trans-74155.4175.9-58.7-179.4171.4-169.6-8.1110.9V398 Q399 R400 Q419 I420R396-V398 PolarHBondContact O-N 2.89Å; R396-Q399 HydrophobicContact CB-CG 4.28Å; R396-Q399 VanDerWaalsContact N-OE1 3.16Å; R396-Q399 WeakPolarHBondContact O-CA 3.4Å; R396-Q399 VanDerWaalsContact O-CB 3.3Å; R396-Q399 WeakPolarHBondContact O-CB 3.41Å; R396-Q399 PolarHBondContact O-N 3.27Å; R396-R400 WeakPolarHBondContact O-CG 3.18Å; R396-R400 PolarHBondContact O-N 2.82Å; R396-Q419 PolarHBondContact NH1-O 2.77Å; R396-I420 WeakPolarHBondContact CD-O 3.49Å; R396-I420 VanDerWaalsContact NH1-C 3.27Å; R396-I420 PolarHBondContact NH1-O 2.79Å
397A90.7Very high89.2Confident22 Ų2241.8 Ų41.818%0.18221%0.205CC..Hα-helixtrans-49.1-53.2-164.600000114.5Y355 V357 Q399 R400 F401Y355-A397 WeakPolarHBondContact O-CB 3.48Å; V357-A397 HydrophobicContact CG2-CB 3.5Å; V357-A397 VanDerWaalsContact CG2-CB 3.5Å; A397-Q399 PolarHBondContact O-N 3.25Å; A397-R400 WeakPolarHBondContact O-CB 3.45Å; A397-R400 PolarHBondContact O-N 2.73Å; A397-F401 WeakPolarHBondContact O-CD2 3.42Å
398V93.4Very high89.3Confident0 Ų040.5 Ų40.50%020%0.201CC..Hα-helixtrans-65.4-33.8176.7-690000114V357 R396 R400 F401 A402 V414 I420 L596 D598V357-V398 HydrophobicContact CG1-CG1 4.24Å; V357-V398 HydrophobicContact CG2-CG1 3.61Å; R396-V398 PolarHBondContact O-N 2.89Å; V398-R400 VanDerWaalsContact C-N 3.26Å; V398-R400 PolarHBondContact O-N 3.42Å; V398-F401 PolarHBondContact O-N 3.05Å; V398-A402 WeakPolarHBondContact O-CB 3.47Å; V398-A402 PolarHBondContact O-N 3.31Å; V398-V414 HydrophobicContact CB-CG1 4.04Å; V398-V414 HydrophobicContact CG1-CG1 4.04Å; V398-V414 HydrophobicContact CG2-CG1 4.17Å; V398-I420 HydrophobicContact CG2-CD1 4.46Å; V398-L596 HydrophobicContact CB-CD1 4.17Å; V398-L596 HydrophobicContact CG1-CB 4.25Å; V398-L596 WeakPolarHBondContact O-CD1 3.38Å; V398-D598 HydrophobicContact CG1-CB 3.79Å
399Q94.1Very high89.3Confident2 Ų238 Ų381%0.00919%0.19CC..Hα-helixtrans-65.4-32-179.2-63.5170.5-18.500111.7A395 R396 A397 F401 A402 W403 G421 W424 S425A395-Q399 HydrophobicContact CB-CB 4.45Å; R396-Q399 HydrophobicContact CB-CG 4.28Å; R396-Q399 VanDerWaalsContact N-OE1 3.16Å; R396-Q399 WeakPolarHBondContact O-CA 3.4Å; R396-Q399 VanDerWaalsContact O-CB 3.3Å; R396-Q399 WeakPolarHBondContact O-CB 3.41Å; R396-Q399 PolarHBondContact O-N 3.27Å; A397-Q399 PolarHBondContact O-N 3.25Å; Q399-F401 VanDerWaalsContact C-N 3.25Å; Q399-F401 PolarHBondContact O-N 2.79Å; Q399-A402 PolarHBondContact O-N 3.2Å; Q399-W403 HydrophobicContact CB-CD2 4.11Å; Q399-W403 HydrophobicContact CB-CH2 4.34Å; Q399-W403 HydrophobicContact CB-CZ2 3.87Å; Q399-W403 HydrophobicContact CG-CZ2 4.13Å; Q399-W403 WeakPolarHBondContact O-CB 3.22Å; Q399-W403 PolarHBondContact O-N 3.32Å; Q399-G421 PolarHBondContact NE2-O 3.14Å; Q399-W424 VanDerWaalsContact NE2-CB 3.32Å; Q399-S425 WeakPolarHBondContact CG-OG 3.34Å
400R93.5Very high89.5Confident12 Ų1238 Ų385%0.04518%0.182CC..Hα-helixtrans-55.4-39.3177.9-60.3-178.6170.2-127-28.2112.8Y355 P367 C368 Y369 A395 R396 A397 V398 P404Y355-R400 VanDerWaalsContact CD1-NH1 3.31Å; P367-R400 CarbonylContact C-O 3.53Å; P367-R400 WeakPolarHBondContact CA-O 3.42Å; P367-R400 HydrophobicContact CB-CB 4.09Å; C368-R400 PolarHBondContact N-O 3.03Å; C368-R400 WeakPolarHBondContact O-CA 3.22Å; C368-R400 VanDerWaalsContact O-CB 3.23Å; C368-R400 WeakPolarHBondContact O-CB 3.4Å; C368-R400 VanDerWaalsContact O-CG 3.22Å; C368-R400 WeakPolarHBondContact O-CG 3.34Å; C368-R400 PolarHBondContact SG-O 2.96Å; Y369-R400 VanDerWaalsContact CD2-NH2 3.34Å; Y369-R400 PolarHBondContact O-NH2 3.04Å; Y369-R400 VanDerWaalsContact O-NH2 3.13Å; A395-R400 HydrophobicContact CB-CG 3.93Å; A395-R400 PolarHBondContact O-NE 3.25Å; A395-R400 PolarHBondContact O-NH2 2.63Å; R396-R400 WeakPolarHBondContact O-CG 3.18Å; R396-R400 PolarHBondContact O-N 2.82Å; A397-R400 WeakPolarHBondContact O-CB 3.45Å; A397-R400 PolarHBondContact O-N 2.73Å; V398-R400 VanDerWaalsContact C-N 3.26Å; V398-R400 PolarHBondContact O-N 3.42Å; R400-P404 WeakPolarHBondContact O-CD 3.49Å; R400-P404 WeakPolarHBondContact O-CG 3.42Å
401F94.5Very high89.9Confident1 Ų137.5 Ų37.50%0.00418%0.179CC..Hα-helixtrans-92.2-37.1178.5-58.8-87.4000112.1Y352 N354 Y355 V357 V365 P367 A397 V398 Q399 L594 L596Y352-F401 HydrophobicContact CD1-CE1 4.41Å; Y352-F401 HydrophobicContact CG-CE1 4.19Å; N354-F401 HydrophobicContact CB-CZ 4.12Å; Y355-F401 HydrophobicContact CD2-CE2 4.17Å; Y355-F401 HydrophobicContact CD2-CZ 4.22Å; V357-F401 HydrophobicContact CB-CE2 4.16Å; V357-F401 HydrophobicContact CG1-CD2 4.18Å; V357-F401 HydrophobicContact CG1-CE2 4.12Å; V365-F401 HydrophobicContact CG1-CB 4.26Å; V365-F401 HydrophobicContact CG1-CD1 4.3Å; P367-F401 HydrophobicContact CB-CD1 3.85Å; P367-F401 HydrophobicContact CB-CE1 3.84Å; P367-F401 HydrophobicContact CB-CG 4.3Å; P367-F401 HydrophobicContact CB-CZ 4.29Å; P367-F401 HydrophobicContact CG-CD1 4.39Å; P367-F401 HydrophobicContact CG-CE1 3.98Å; A397-F401 WeakPolarHBondContact O-CD2 3.42Å; V398-F401 PolarHBondContact O-N 3.05Å; Q399-F401 VanDerWaalsContact C-N 3.25Å; Q399-F401 PolarHBondContact O-N 2.79Å; F401-L594 HydrophobicContact CB-CD2 4.08Å; F401-L594 WeakPolarHBondContact O-CD2 3.24Å; F401-L596 HydrophobicContact CB-CD1 4.07Å; F401-L596 HydrophobicContact CB-CD2 3.8Å; F401-L596 HydrophobicContact CD2-CD2 4.36Å; F401-L596 HydrophobicContact CG-CD2 4.19Å
402A95.1Very high90.7Very high0 Ų036.5 Ų36.50%017%0.171CC..Hα-helixtrans-69.3-46-174.800000112.9V398 Q399 H405 V406 V412 L596V398-A402 WeakPolarHBondContact O-CB 3.47Å; V398-A402 PolarHBondContact O-N 3.31Å; Q399-A402 PolarHBondContact O-N 3.2Å; A402-H405 PolarHBondContact O-N 3.05Å; A402-V406 VanDerWaalsContact O-CB 3.28Å; A402-V406 WeakPolarHBondContact O-CB 3.4Å; A402-V406 WeakPolarHBondContact O-CG2 3.3Å; A402-V406 PolarHBondContact O-N 3.35Å; A402-V412 HydrophobicContact CB-CG2 4.38Å; A402-L596 HydrophobicContact CB-CD1 3.88Å
403W94.5Very high91.7Very high0 Ų027.4 Ų27.40%014%0.137CC..Hα-helixtrans-54.4-54.8-179.1-67.9-18.8000113.2L371 A374 I377 M385 A391 A395 Q399 H405 V406 S407 W424L371-W403 HydrophobicContact CD2-CE3 4.18Å; L371-W403 HydrophobicContact CD2-CH2 3.51Å; L371-W403 HydrophobicContact CD2-CZ2 4.21Å; L371-W403 HydrophobicContact CD2-CZ3 3.48Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.48Å; L371-W403 HydrophobicContact CG-CH2 3.94Å; L371-W403 HydrophobicContact CG-CZ3 3.88Å; A374-W403 HydrophobicContact CB-CB 4.3Å; A374-W403 HydrophobicContact CB-CE3 4.01Å; I377-W403 HydrophobicContact CD1-CB 4.22Å; I377-W403 HydrophobicContact CD1-CD2 4.26Å; I377-W403 HydrophobicContact CD1-CG 4.06Å; M385-W403 HydrophobicContact CE-CH2 3.98Å; M385-W403 HydrophobicContact CE-CZ2 3.51Å; A391-W403 HydrophobicContact CB-CH2 3.78Å; A391-W403 HydrophobicContact CB-CZ3 4.49Å; A395-W403 HydrophobicContact CB-CE3 4.13Å; A395-W403 HydrophobicContact CB-CH2 3.98Å; A395-W403 HydrophobicContact CB-CZ3 3.51Å; Q399-W403 HydrophobicContact CB-CD2 4.11Å; Q399-W403 HydrophobicContact CB-CH2 4.34Å; Q399-W403 HydrophobicContact CB-CZ2 3.87Å; Q399-W403 HydrophobicContact CG-CZ2 4.13Å; Q399-W403 WeakPolarHBondContact O-CB 3.22Å; Q399-W403 PolarHBondContact O-N 3.32Å; W403-H405 PolarHBondContact O-N 3.1Å; W403-V406 PolarHBondContact O-N 3.4Å; W403-S407 VanDerWaalsContact O-CB 3.3Å; W403-S407 WeakPolarHBondContact O-CB 3.37Å; W403-S407 PolarHBondContact O-N 3.36Å; W403-S407 PolarHBondContact O-OG 3.41Å; W403-W424 PolarHBondContact NE1-O 3.29Å
404P92.8Very high92.6Very high14 Ų1422.2 Ų22.29%0.09110%0.101CC..Hα-helixtrans-67.8-15.9179.725.7-34.8000115.1V366 P375 R400 L408V366-P404 WeakPolarHBondContact O-CG 3.4Å; P375-P404 HydrophobicContact CG-CB 3.77Å; R400-P404 WeakPolarHBondContact O-CD 3.49Å; R400-P404 WeakPolarHBondContact O-CG 3.42Å; P404-L408 WeakPolarHBondContact O-CD1 3.3Å; P404-L408 WeakPolarHBondContact O-CG 3.21Å
405H92.8Very high93.1Very high4 Ų415 Ų152%0.0197%0.074CC..Hα-helixtrans-91.5-42.7175.9-175.990.3000111.9A402 W403 L408 K410 S411 D592 L594A402-H405 PolarHBondContact O-N 3.05Å; W403-H405 PolarHBondContact O-N 3.1Å; H405-L408 PolarHBondContact O-N 3.07Å; H405-K410 WeakPolarHBondContact NE2-CB 3.39Å; H405-K410 PolarHBondContact O-N 2.84Å; H405-S411 PolarHBondContact CD2-O 2.94Å; H405-S411 PolarHBondContact NE2-O 3.39Å; H405-D592 PolarHBondContact CE1-O 3.18Å; H405-D592 PolarHBondContact NE2-O 3.21Å; H405-L594 HydrophobicContact CB-CB 4.48Å; H405-L594 HydrophobicContact CB-CD2 3.62Å; H405-L594 VanDerWaalsContact CD2-CB 3.42Å; H405-L594 WeakPolarHBondContact CD2-CB 3.41Å; H405-L594 VanDerWaalsContact NE2-CB 3.33Å; H405-L594 WeakPolarHBondContact NE2-CB 3.02Å; H405-L594 PolarHBondContact NE2-N 3.03Å
406V93.1Very high93.2Very high1 Ų115 Ų151%0.0067%0.073CC..Hα-helixtrans-70.4-36179.21740000111.2A402 W403 L408 G409 V412 T429 Q569 L571A402-V406 VanDerWaalsContact O-CB 3.28Å; A402-V406 WeakPolarHBondContact O-CB 3.4Å; A402-V406 WeakPolarHBondContact O-CG2 3.3Å; A402-V406 PolarHBondContact O-N 3.35Å; W403-V406 PolarHBondContact O-N 3.4Å; V406-L408 PolarHBondContact O-N 3.02Å; V406-G409 PolarHBondContact O-N 3.49Å; V406-V412 HydrophobicContact CG2-CB 3.78Å; V406-V412 HydrophobicContact CG2-CG1 3.58Å; V406-V412 HydrophobicContact CG2-CG2 4.34Å; V406-T429 HydrophobicContact CG1-CG2 4.08Å; V406-Q569 PolarHBondContact O-NE2 2.63Å; V406-L571 HydrophobicContact CG1-CD2 4.03Å; V406-L571 HydrophobicContact CG2-CD2 4.17Å
407S89.7Confident92.9Very high3 Ų312 Ų122%0.0217%0.066CC..THydrogen-bonded Turntrans-67.8-20.2177.470.20000114P375 W403 G409 R433P375-S407 WeakPolarHBondContact O-CB 3.39Å; P375-S407 PolarHBondContact O-OG 3.04Å; W403-S407 VanDerWaalsContact O-CB 3.3Å; W403-S407 WeakPolarHBondContact O-CB 3.37Å; W403-S407 PolarHBondContact O-N 3.36Å; W403-S407 PolarHBondContact O-OG 3.41Å; S407-G409 VanDerWaalsContact C-N 3.3Å; S407-R433 PolarHBondContact O-NH2 3.37Å
408L88.6Confident92.5Very high90 Ų9015.5 Ų15.547%0.4718%0.082SC..THydrogen-bonded Turntrans-83.43.2167.6-62.4176.6000113.9P404 H405 V406P404-L408 WeakPolarHBondContact O-CD1 3.3Å; P404-L408 WeakPolarHBondContact O-CG 3.21Å; H405-L408 PolarHBondContact O-N 3.07Å; V406-L408 PolarHBondContact O-N 3.02Å
409G88.8Confident91.8Very high4 Ų424 Ų244%0.04112%0.122CC..THydrogen-bonded Turntrans79.115.3178.100000115.2V406 S407 Q569V406-G409 PolarHBondContact O-N 3.49Å; S407-G409 VanDerWaalsContact C-N 3.3Å; G409-Q569 VanDerWaalsContact C-CD 3.47Å; G409-Q569 VanDerWaalsContact C-NE2 3.27Å
410K91.7Very high91.3Very high28 Ų2825 Ų2512%0.12213%0.127CC..  trans-91.4145.5178.6-60.7-176178.8-178.90111.6H363 H405 Q565 Q569H363-K410 PolarHBondContact CE1-NZ 3.28Å; H363-K410 PolarHBondContact ND1-NZ 3.38Å; H405-K410 WeakPolarHBondContact NE2-CB 3.39Å; H405-K410 PolarHBondContact O-N 2.84Å; K410-Q565 HydrophobicContact CG-CG 4.28Å; K410-Q569 PolarHBondContact O-NE2 2.95Å
411S94.4Very high91Very high6 Ų624.9 Ų24.94%0.04213%0.129CC..  trans-67.2148.1-176-61.30000112.3H405 L570 V593 L594H405-S411 PolarHBondContact CD2-O 2.94Å; H405-S411 PolarHBondContact NE2-O 3.39Å; S411-L570 WeakPolarHBondContact CA-O 3.4Å; S411-L570 WeakPolarHBondContact CB-O 3.39Å; S411-L570 PolarHBondContact OG-N 3.03Å; S411-L570 VanDerWaalsContact OG-N 3.17Å; S411-L570 PolarHBondContact OG-O 3.45Å; S411-V593 WeakPolarHBondContact O-CA 3.39Å; S411-L594 PolarHBondContact O-N 3.22Å
412V95.8Very high91Very high0 Ų025.3 Ų25.30%013%0.131CC..EExtended strand (participates in β ladder)trans-136.8140.2-178.879.10000111.8A402 V406 V414 Y426 L570 L571 V572 M590 L594 L596A402-V412 HydrophobicContact CB-CG2 4.38Å; V406-V412 HydrophobicContact CG2-CB 3.78Å; V406-V412 HydrophobicContact CG2-CG1 3.58Å; V406-V412 HydrophobicContact CG2-CG2 4.34Å; V412-V414 HydrophobicContact CG1-CG2 4.33Å; V412-V414 HydrophobicContact CG2-CG2 3.94Å; V412-Y426 HydrophobicContact CG1-CD1 4.02Å; V412-L570 PolarHBondContact N-O 3.28Å; V412-L571 HydrophobicContact CG1-CD2 3.76Å; V412-V572 PolarHBondContact O-N 3.1Å; V412-M590 VanDerWaalsContact O-CE 3.26Å; V412-M590 WeakPolarHBondContact O-CE 3.41Å; V412-L594 WeakPolarHBondContact CA-O 3.26Å; V412-L594 HydrophobicContact CG2-CB 4.22Å; V412-L594 HydrophobicContact CG2-CD2 4.32Å; V412-L594 HydrophobicContact CG2-CG 4.31Å; V412-L594 VanDerWaalsContact CG2-O 3.32Å; V412-L594 WeakPolarHBondContact CG2-O 3.45Å; V412-L596 HydrophobicContact CG2-CD1 4.47Å
413L96.7Very high91Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-123.1111.5173.8171.856.9000109.1V415 V572 W577 M582 I586 L587 M590 V593 L594 V595 L596L413-V415 HydrophobicContact CD1-CG2 4.19Å; L413-V415 HydrophobicContact CG-CG2 4.39Å; L413-V572 WeakPolarHBondContact CA-O 3.35Å; L413-V572 HydrophobicContact CD1-CB 3.74Å; L413-V572 HydrophobicContact CD1-CG1 3.61Å; L413-W577 HydrophobicContact CD2-CH2 4.18Å; L413-W577 HydrophobicContact CD2-CZ3 3.65Å; L413-M582 HydrophobicContact CD1-CE 4.48Å; L413-M582 HydrophobicContact CD1-SD 4.06Å; L413-M582 HydrophobicContact CD2-SD 4.07Å; L413-I586 HydrophobicContact CD2-CG2 4.47Å; L413-L587 HydrophobicContact CD2-CD2 4.06Å; L413-M590 HydrophobicContact CB-CE 4.19Å; L413-V593 HydrophobicContact CB-CG2 4.02Å; L413-L594 PolarHBondContact N-O 2.7Å; L413-V595 HydrophobicContact CB-CG2 4.48Å; L413-V595 HydrophobicContact CD2-CG1 4.29Å; L413-V595 HydrophobicContact CD2-CG2 4.45Å; L413-V595 HydrophobicContact CG-CG1 4.33Å; L413-V595 CarbonylContact O-C 3.59Å; L413-V595 WeakPolarHBondContact O-CA 3.32Å; L413-L596 PolarHBondContact O-N 3.18Å
414V96.9Very high91Very high0 Ų027.1 Ų27.10%014%0.139CC..EExtended strand (participates in β ladder)trans-111.5116.1-176.4-169.70000110.7V398 V412 K422 V572 S573 G574 L596V398-V414 HydrophobicContact CB-CG1 4.04Å; V398-V414 HydrophobicContact CG1-CG1 4.04Å; V398-V414 HydrophobicContact CG2-CG1 4.17Å; V412-V414 HydrophobicContact CG1-CG2 4.33Å; V412-V414 HydrophobicContact CG2-CG2 3.94Å; V414-K422 HydrophobicContact CB-CD 4.48Å; V414-K422 HydrophobicContact CB-CG 4.48Å; V414-K422 HydrophobicContact CG1-CB 4.25Å; V414-K422 HydrophobicContact CG1-CD 4.16Å; V414-K422 HydrophobicContact CG1-CG 3.87Å; V414-K422 WeakPolarHBondContact O-CD 3.28Å; V414-V572 PolarHBondContact N-O 3.02Å; V414-S573 CarbonylContact O-C 3.55Å; V414-S573 WeakPolarHBondContact O-CA 3.44Å; V414-G574 PolarHBondContact O-N 3.46Å; V414-L596 HydrophobicContact CG1-CB 4.43Å; V414-L596 HydrophobicContact CG2-CD1 4.36Å
415V95.7Very high91.1Very high0 Ų026.4 Ų26.40%014%0.135CC..EExtended strand (participates in β ladder)trans-115.3135.1179.8179.40000110.7L413 W577 L596 F597 D598 E602L413-V415 HydrophobicContact CD1-CG2 4.19Å; L413-V415 HydrophobicContact CG-CG2 4.39Å; V415-W577 HydrophobicContact CG2-CE3 4.17Å; V415-L596 PolarHBondContact N-O 2.67Å; V415-F597 HydrophobicContact CB-CD1 4.03Å; V415-F597 HydrophobicContact CB-CE1 4.27Å; V415-F597 HydrophobicContact CG1-CD1 4.21Å; V415-F597 HydrophobicContact CG1-CE1 4.43Å; V415-F597 WeakPolarHBondContact O-CA 3.23Å; V415-D598 PolarHBondContact O-N 3.07Å; V415-E602 HydrophobicContact CG1-CB 4.21Å
416G92.2Very high91.2Very high0 Ų026.2 Ų26.20%013%0.134CC..  trans155.9-174.7174.600000112.6K422 G574 R575G416-K422 PolarHBondContact O-NZ 2.74Å; G416-G574 PolarHBondContact N-O 2.95Å; G416-G574 VanDerWaalsContact N-O 3.16Å; G416-G574 VanDerWaalsContact O-O 3.13Å; G416-R575 WeakPolarHBondContact O-CA 3.5Å
417N86.8Confident91.3Very high64 Ų6426.2 Ų26.234%0.34213%0.134SC..  trans-59173-167.3-65.9-76.1000115.2I420 K422 D599 K720N417-I420 HydrophobicContact CB-CG2 3.96Å; N417-K422 PolarHBondContact O-NZ 3.06Å; N417-D599 PolarHBondContact ND2-OD2 2.87Å; N417-D599 PolarHBondContact OD1-OD2 3.04Å; N417-K720 PolarHBondContact OD1-NZ 3.06Å
418L81Confident91.6Very high97 Ų9726 Ų2651%0.50813%0.133SC..THydrogen-bonded Turntrans-59.6156.2165.9-86.9179.7000110.9I420L418-I420 PolarHBondContact O-N 3.04Å
419Q80.4Confident91.7Very high178 Ų17822.1 Ų22.183%0.83211%0.113SC*.THydrogen-bonded Turntrans58.52.3172.3-59.5-1792.400117.4R396 G421R396-Q419 PolarHBondContact NH1-O 2.77Å; Q419-G421 PolarHBondContact O-N 3.44Å; Q419-G421 VanDerWaalsContact O-N 3.14Å
420I83.1Confident92Very high24 Ų2422.2 Ų22.212%0.12311%0.112CC..SBendtrans-64.6-18.3176.370.4171.8000113.2R396 V398 N417 L418 K422 D598R396-I420 WeakPolarHBondContact CD-O 3.49Å; R396-I420 VanDerWaalsContact NH1-C 3.27Å; R396-I420 PolarHBondContact NH1-O 2.79Å; V398-I420 HydrophobicContact CG2-CD1 4.46Å; N417-I420 HydrophobicContact CB-CG2 3.96Å; L418-I420 PolarHBondContact O-N 3.04Å; I420-K422 HydrophobicContact CD1-CD 4.11Å; I420-K422 HydrophobicContact CD1-CG 3.62Å; I420-K422 HydrophobicContact CG1-CD 4.34Å; I420-K422 HydrophobicContact CG1-CG 3.49Å; I420-K422 VanDerWaalsContact CG1-CG 3.49Å; I420-D598 HydrophobicContact CD1-CB 3.42Å; I420-D598 VanDerWaalsContact CD1-CB 3.42Å; I420-D598 VanDerWaalsContact CG2-OD2 3.28Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.19Å
421G87.4Confident92.2Very high8 Ų820.9 Ų20.98%0.08211%0.106CC..  trans100.330.3177.300000114.3Q399 Q419 W424 S425Q399-G421 PolarHBondContact NE2-O 3.14Å; Q419-G421 PolarHBondContact O-N 3.44Å; Q419-G421 VanDerWaalsContact O-N 3.14Å; G421-W424 CarbonylContact O-C 3.57Å; G421-W424 WeakPolarHBondContact O-CB 3.35Å; G421-W424 PolarHBondContact O-N 3.38Å; G421-S425 PolarHBondContact O-N 2.95Å; G421-S425 VanDerWaalsContact O-N 3.14Å; G421-S425 PolarHBondContact O-OG 3.07Å; G421-S425 VanDerWaalsContact O-OG 3.07Å
422K93.8Very high92.1Very high10 Ų1021.4 Ų21.44%0.04311%0.108CC..SBendtrans-55.9-53.7-179.5-58.6-165.9-70.4-97.70113.3V414 G416 N417 I420 W424 S425 N538 G574V414-K422 HydrophobicContact CB-CD 4.48Å; V414-K422 HydrophobicContact CB-CG 4.48Å; V414-K422 HydrophobicContact CG1-CB 4.25Å; V414-K422 HydrophobicContact CG1-CD 4.16Å; V414-K422 HydrophobicContact CG1-CG 3.87Å; V414-K422 WeakPolarHBondContact O-CD 3.28Å; G416-K422 PolarHBondContact O-NZ 2.74Å; N417-K422 PolarHBondContact O-NZ 3.06Å; I420-K422 HydrophobicContact CD1-CD 4.11Å; I420-K422 HydrophobicContact CD1-CG 3.62Å; I420-K422 HydrophobicContact CG1-CD 4.34Å; I420-K422 HydrophobicContact CG1-CG 3.49Å; I420-K422 VanDerWaalsContact CG1-CG 3.49Å; K422-W424 VanDerWaalsContact C-N 3.25Å; K422-W424 PolarHBondContact O-N 2.83Å; K422-S425 WeakPolarHBondContact O-CA 3.4Å; K422-S425 WeakPolarHBondContact O-CB 3.21Å; K422-S425 PolarHBondContact O-N 3.45Å; K422-S425 PolarHBondContact O-OG 2.75Å; K422-N538 WeakPolarHBondContact CE-OD1 3.33Å; K422-G574 WeakPolarHBondContact CD-O 3.26Å; K422-G574 WeakPolarHBondContact CE-O 3.42Å; K422-G574 PolarHBondContact NZ-O 2.92Å
423T94.9Very high91.9Very high16 Ų1625.5 Ų25.510%0.09812%0.124CC..G310 helixtrans-55.6-43.7177.6-31.80000110.8S425 Y426 L427 F452 I463 D537T423-S425 PolarHBondContact O-N 3.37Å; T423-S425 VanDerWaalsContact O-N 3.15Å; T423-Y426 PolarHBondContact O-N 3.23Å; T423-L427 WeakPolarHBondContact O-CB 3.38Å; T423-L427 PolarHBondContact O-N 3.47Å; T423-F452 HydrophobicContact CG2-CZ 3.89Å; T423-I463 HydrophobicContact CG2-CD1 4.13Å; T423-I463 HydrophobicContact CG2-CG1 4.25Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.4Å; T423-D537 PolarHBondContact OG1-OD1 3.14Å; T423-D537 PolarHBondContact OG1-OD2 3.38Å
424W94.4Very high91.8Very high22 Ų2225.7 Ų25.78%0.08313%0.125CC..G310 helixtrans-66.3-9.2174.6-76.2104.7000115.3M385 M388 V390 Q399 W403 G421 K422 Y426 L427 P428 W466 L470M385-W424 HydrophobicContact CE-CE3 4.2Å; M385-W424 HydrophobicContact CE-CZ3 4.47Å; M385-W424 HydrophobicContact CG-CZ3 4.09Å; M388-W424 HydrophobicContact CE-CH2 3.7Å; M388-W424 HydrophobicContact CE-CZ3 4.45Å; M388-W424 HydrophobicContact SD-CH2 3.75Å; M388-W424 HydrophobicContact SD-CZ2 4.11Å; V390-W424 HydrophobicContact CG1-CD2 4.27Å; V390-W424 HydrophobicContact CG1-CE3 4.11Å; V390-W424 HydrophobicContact CG2-CD2 3.9Å; V390-W424 HydrophobicContact CG2-CE3 3.98Å; V390-W424 HydrophobicContact CG2-CH2 3.98Å; V390-W424 HydrophobicContact CG2-CZ2 3.86Å; V390-W424 HydrophobicContact CG2-CZ3 4.03Å; Q399-W424 VanDerWaalsContact NE2-CB 3.32Å; W403-W424 PolarHBondContact NE1-O 3.29Å; G421-W424 CarbonylContact O-C 3.57Å; G421-W424 WeakPolarHBondContact O-CB 3.35Å; G421-W424 PolarHBondContact O-N 3.38Å; K422-W424 VanDerWaalsContact C-N 3.25Å; K422-W424 PolarHBondContact O-N 2.83Å; W424-Y426 PolarHBondContact O-N 3.02Å; W424-L427 HydrophobicContact CH2-CD2 4.44Å; W424-L427 HydrophobicContact CZ2-CD2 4.48Å; W424-P428 HydrophobicContact CE3-CG 3.9Å; W424-P428 HydrophobicContact CZ3-CG 4.13Å; W424-W466 HydrophobicContact CH2-CB 4.15Å; W424-W466 HydrophobicContact CH2-CG 4.3Å; W424-W466 HydrophobicContact CZ2-CB 3.86Å; W424-W466 AromaticContact CZ2-CD1 3.77Å; W424-W466 AromaticContact CZ2-CD2 3.8Å; W424-W466 HydrophobicContact CZ2-CD2 3.8Å; W424-W466 HydrophobicContact CZ2-CE3 4.39Å; W424-W466 AromaticContact CZ2-CG 3.55Å; W424-W466 HydrophobicContact CZ2-CG 3.55Å; W424-W466 AromaticContact NE1-CD2 3.87Å; W424-W466 AromaticContact NE1-CE2 3.86Å; W424-W466 AromaticContact NE1-CE3 3.92Å; W424-W466 AromaticContact NE1-CZ2 3.93Å; W424-L470 HydrophobicContact CH2-CD1 4.17Å; W424-L470 HydrophobicContact CH2-CD2 4.44Å; W424-L470 HydrophobicContact CH2-CG 4.44Å; W424-L470 HydrophobicContact CZ3-CD1 4.01Å; W424-L470 HydrophobicContact CZ3-CD2 4.18Å; W424-L470 HydrophobicContact CZ3-CG 4.47Å
425S94.9Very high91.6Very high0 Ų026.5 Ų26.50%013%0.129CC..G310 helixtrans-75.3-12.4173.8-55.70000112.8Q399 G421 K422 T423Q399-S425 WeakPolarHBondContact CG-OG 3.34Å; G421-S425 PolarHBondContact O-N 2.95Å; G421-S425 VanDerWaalsContact O-N 3.14Å; G421-S425 PolarHBondContact O-OG 3.07Å; G421-S425 VanDerWaalsContact O-OG 3.07Å; K422-S425 WeakPolarHBondContact O-CA 3.4Å; K422-S425 WeakPolarHBondContact O-CB 3.21Å; K422-S425 PolarHBondContact O-N 3.45Å; K422-S425 PolarHBondContact O-OG 2.75Å; T423-S425 PolarHBondContact O-N 3.37Å; T423-S425 VanDerWaalsContact O-N 3.15Å
426Y95.4Very high91.4Very high0 Ų029.5 Ų29.50%014%0.143CC..THydrogen-bonded Turntrans-143.3-24.417751.3-104.4000115.1V412 T423 W424 P428 T429 V430 F452 A535 D537 L571V412-Y426 HydrophobicContact CG1-CD1 4.02Å; T423-Y426 PolarHBondContact O-N 3.23Å; W424-Y426 PolarHBondContact O-N 3.02Å; Y426-P428 VanDerWaalsContact C-N 3.35Å; Y426-T429 PolarHBondContact O-N 2.78Å; Y426-V430 HydrophobicContact CD2-CG2 4.16Å; Y426-V430 WeakPolarHBondContact O-CG2 3.37Å; Y426-V430 PolarHBondContact O-N 3.46Å; Y426-F452 AromaticContact CE2-CE2 3.92Å; Y426-F452 HydrophobicContact CE2-CE2 3.92Å; Y426-F452 AromaticContact CE2-CZ 3.96Å; Y426-F452 HydrophobicContact CE2-CZ 3.96Å; Y426-A535 HydrophobicContact CE2-CB 4.21Å; Y426-D537 PolarHBondContact OH-OD1 3.18Å; Y426-L571 HydrophobicContact CD1-CB 4.31Å; Y426-L571 HydrophobicContact CD2-CB 4.28Å; Y426-L571 HydrophobicContact CD2-CD1 3.79Å; Y426-L571 HydrophobicContact CE1-CB 4.44Å; Y426-L571 HydrophobicContact CE2-CB 4.42Å; Y426-L571 HydrophobicContact CG-CB 4.22Å; Y426-L571 HydrophobicContact CG-CD1 3.92Å; Y426-L571 HydrophobicContact CG-CD2 4.5Å; Y426-L571 HydrophobicContact CG-CG 4.46Å
427L95.7Very high91.4Very high0 Ų031.6 Ų31.60%015%0.154CC..Hα-helixtrans-49-41.7-178.6-175.566.2000115T423 W424 T429 V430 C431 F452 I463 W466 M467 L470T423-L427 WeakPolarHBondContact O-CB 3.38Å; T423-L427 PolarHBondContact O-N 3.47Å; W424-L427 HydrophobicContact CH2-CD2 4.44Å; W424-L427 HydrophobicContact CZ2-CD2 4.48Å; L427-T429 PolarHBondContact O-N 2.72Å; L427-V430 PolarHBondContact O-N 2.77Å; L427-C431 PolarHBondContact O-N 2.84Å; L427-C431 PolarHBondContact O-SG 3.04Å; L427-F452 HydrophobicContact CD1-CE2 3.98Å; L427-I463 HydrophobicContact CD1-CG2 4.33Å; L427-W466 HydrophobicContact CD2-CB 3.76Å; L427-W466 HydrophobicContact CD2-CE3 3.98Å; L427-M467 HydrophobicContact CD1-CE 3.67Å; L427-M467 HydrophobicContact CD1-CG 3.82Å; L427-L470 HydrophobicContact CD2-CD1 4.22Å; L427-L470 HydrophobicContact CG-CD1 3.89Å
428P94.3Very high91.6Very high0 Ų028.6 Ų28.60%014%0.138CC..Hα-helixtrans-59.9-46.4177.3-21.933.4000112.7I381 M385 W424 Y426 C431 Q432I381-P428 HydrophobicContact CG2-CB 3.68Å; M385-P428 HydrophobicContact CE-CB 4.18Å; M385-P428 HydrophobicContact CE-CG 3.41Å; M385-P428 VanDerWaalsContact CE-CG 3.41Å; M385-P428 HydrophobicContact CG-CG 4.34Å; M385-P428 HydrophobicContact SD-CB 3.56Å; M385-P428 VanDerWaalsContact SD-CB 3.56Å; M385-P428 HydrophobicContact SD-CG 3.47Å; M385-P428 WeakPolarHBondContact SD-CG 3.38Å; W424-P428 HydrophobicContact CE3-CG 3.9Å; W424-P428 HydrophobicContact CZ3-CG 4.13Å; Y426-P428 VanDerWaalsContact C-N 3.35Å; P428-C431 PolarHBondContact O-N 2.87Å; P428-Q432 WeakPolarHBondContact O-CB 3.33Å; P428-Q432 PolarHBondContact O-N 3.21Å
429T92.6Very high92Very high8 Ų826.9 Ų26.95%0.04913%0.127CC..Hα-helixtrans-67.2-38.8178.5-45.80000111.5V406 Y426 L427 R433V406-T429 HydrophobicContact CG1-CG2 4.08Å; Y426-T429 PolarHBondContact O-N 2.78Å; L427-T429 PolarHBondContact O-N 2.72Å; T429-R433 HydrophobicContact CG2-CG 4.25Å; T429-R433 WeakPolarHBondContact O-CB 3.38Å; T429-R433 WeakPolarHBondContact O-CG 3.23Å; T429-R433 PolarHBondContact O-N 3.26Å
430V94.6Very high92.5Very high5 Ų526.1 Ų26.13%0.0312%0.117CC..Hα-helixtrans-59.8-50.8174.7171.20000110.6Y426 L427 S434 C450 F452 I505 L571Y426-V430 HydrophobicContact CD2-CG2 4.16Å; Y426-V430 WeakPolarHBondContact O-CG2 3.37Å; Y426-V430 PolarHBondContact O-N 3.46Å; L427-V430 PolarHBondContact O-N 2.77Å; V430-S434 WeakPolarHBondContact O-CB 3.42Å; V430-S434 PolarHBondContact O-N 3.46Å; V430-S434 PolarHBondContact O-OG 2.94Å; V430-C450 HydrophobicContact CG1-CB 4.37Å; V430-C450 VanDerWaalsContact CG1-SG 3.57Å; V430-F452 HydrophobicContact CG1-CD2 4.47Å; V430-I505 HydrophobicContact CG1-CD1 4.22Å; V430-L571 HydrophobicContact CG2-CD1 3.29Å
431C95Very high92.7Very high0 Ų026.7 Ų26.70%012%0.117CC..Hα-helixtrans-60.3-49.6179.2-66.80000111.5L427 P428 H435 L470 L471L427-C431 PolarHBondContact O-N 2.84Å; L427-C431 PolarHBondContact O-SG 3.04Å; P428-C431 PolarHBondContact O-N 2.87Å; C431-H435 WeakPolarHBondContact O-CB 3.22Å; C431-H435 PolarHBondContact O-N 2.97Å; C431-L470 HydrophobicContact CB-CB 3.91Å; C431-L470 HydrophobicContact CB-CD1 4.08Å; C431-L470 VanDerWaalsContact SG-CD1 3.52Å; C431-L471 HydrophobicContact CB-CD2 3.92Å; C431-L471 HydrophobicContact CB-CG 4.09Å; C431-L471 WeakPolarHBondContact O-CD2 3.33Å
432Q93.4Very high92.5Very high17 Ų1730.5 Ų30.58%0.07914%0.141CC..Hα-helixtrans-60.1-52.3-179.2-165.2-174.4-61.800112.3D376 S378 I381 P428 H435 E436D376-Q432 PolarHBondContact O-NE2 2.57Å; S378-Q432 VanDerWaalsContact CB-OE1 3.24Å; S378-Q432 PolarHBondContact OG-OE1 2.61Å; I381-Q432 HydrophobicContact CG1-CB 4.1Å; I381-Q432 HydrophobicContact CG1-CG 4.23Å; P428-Q432 WeakPolarHBondContact O-CB 3.33Å; P428-Q432 PolarHBondContact O-N 3.21Å; Q432-H435 PolarHBondContact O-N 3.04Å; Q432-E436 HydrophobicContact CG-CG 4.45Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.42Å; Q432-E436 PolarHBondContact NE2-OE1 3.15Å; Q432-E436 WeakPolarHBondContact O-CB 3.24Å; Q432-E436 WeakPolarHBondContact O-CG 3.26Å; Q432-E436 PolarHBondContact O-N 3.17Å
433R91.9Very high91.9Very high87 Ų8736.1 Ų36.133%0.32817%0.171SC..Hα-helixtrans-65.5-42.1-178.2-72.7-178.9164.5-135.8-10.1112.3S407 T429 H435 E436 D437S407-R433 PolarHBondContact O-NH2 3.37Å; T429-R433 HydrophobicContact CG2-CG 4.25Å; T429-R433 WeakPolarHBondContact O-CB 3.38Å; T429-R433 WeakPolarHBondContact O-CG 3.23Å; T429-R433 PolarHBondContact O-N 3.26Å; R433-H435 VanDerWaalsContact C-N 3.27Å; R433-H435 PolarHBondContact O-N 3.46Å; R433-E436 PolarHBondContact O-N 2.71Å; R433-D437 WeakPolarHBondContact O-CB 3.45Å; R433-D437 PolarHBondContact O-N 3.4Å
434S93.5Very high91.3Very high4 Ų441.5 Ų41.53%0.02820%0.204CC..Hα-helixtrans-63-36.8178.9-51.90000111.5V430 L438 C450V430-S434 WeakPolarHBondContact O-CB 3.42Å; V430-S434 PolarHBondContact O-N 3.46Å; V430-S434 PolarHBondContact O-OG 2.94Å; S434-L438 WeakPolarHBondContact O-CB 3.4Å; S434-L438 PolarHBondContact O-N 3.43Å; S434-C450 WeakPolarHBondContact OG-CB 3.45Å
435H93.1Very high90.8Very high17 Ų1741.3 Ų41.38%0.07921%0.209CC..Hα-helixtrans-71.1-50.6173.8178.782.9000112.1C431 Q432 R433 D437 L438 Q439 L471 L474 G475 D482C431-H435 WeakPolarHBondContact O-CB 3.22Å; C431-H435 PolarHBondContact O-N 2.97Å; Q432-H435 PolarHBondContact O-N 3.04Å; R433-H435 VanDerWaalsContact C-N 3.27Å; R433-H435 PolarHBondContact O-N 3.46Å; H435-D437 VanDerWaalsContact C-N 3.31Å; H435-D437 PolarHBondContact O-N 3.05Å; H435-L438 WeakPolarHBondContact O-CA 3.34Å; H435-L438 WeakPolarHBondContact O-CB 3.45Å; H435-L438 PolarHBondContact O-N 3.01Å; H435-L438 VanDerWaalsContact O-N 3.09Å; H435-Q439 PolarHBondContact CE1-NE2 3.34Å; H435-Q439 VanDerWaalsContact CE1-NE2 3.26Å; H435-Q439 WeakPolarHBondContact O-CG 3.35Å; H435-Q439 PolarHBondContact O-N 3.2Å; H435-L471 HydrophobicContact CB-CD2 3.83Å; H435-L474 HydrophobicContact CB-CD1 3.88Å; H435-G475 PolarHBondContact CE1-O 3.07Å; H435-D482 IonicContact CE1-OD1 3.51Å; H435-D482 IonicContact CG-OD1 3.21Å; H435-D482 IonicContact ND1-OD1 2.7Å; H435-D482 PolarHBondContact ND1-OD1 3.41Å
436E91.7Very high90.6Very high63 Ų6346.9 Ų46.929%0.29423%0.23SC..Hα-helixtrans-55-44.9178-80.4-175.7-135.200112.4Q432 R433 Q439 R440Q432-E436 HydrophobicContact CG-CG 4.45Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.42Å; Q432-E436 PolarHBondContact NE2-OE1 3.15Å; Q432-E436 WeakPolarHBondContact O-CB 3.24Å; Q432-E436 WeakPolarHBondContact O-CG 3.26Å; Q432-E436 PolarHBondContact O-N 3.17Å; R433-E436 PolarHBondContact O-N 2.71Å; E436-Q439 PolarHBondContact O-N 2.74Å; E436-R440 WeakPolarHBondContact O-CD 3.41Å; E436-R440 VanDerWaalsContact O-CG 3.31Å; E436-R440 WeakPolarHBondContact O-CG 3.27Å; E436-R440 PolarHBondContact O-N 2.88Å; E436-R440 IonicContact OE2-CZ 3.07Å; E436-R440 IonicContact OE2-NH1 3.85Å; E436-R440 PolarHBondContact OE2-NH1 3.04Å; E436-R440 IonicContact OE2-NH2 3.03Å; E436-R440 PolarHBondContact OE2-NH2 3.33Å
437D91.3Very high90.5Very high44 Ų4446.9 Ų46.924%0.23523%0.23CC..Hα-helixtrans-74.1-30178-74.9-20.8000112R433 H435 R440 R441 T449R433-D437 WeakPolarHBondContact O-CB 3.45Å; R433-D437 PolarHBondContact O-N 3.4Å; H435-D437 VanDerWaalsContact C-N 3.31Å; H435-D437 PolarHBondContact O-N 3.05Å; D437-R440 PolarHBondContact O-N 2.73Å; D437-R440 VanDerWaalsContact O-N 3.13Å; D437-R440 IonicContact OD1-CZ 2.6Å; D437-R440 IonicContact OD1-NH1 3.2Å; D437-R440 PolarHBondContact OD1-NH1 3.06Å; D437-R441 WeakPolarHBondContact O-CG 3.32Å; D437-R441 PolarHBondContact O-N 2.83Å; D437-T449 HydrophobicContact CB-CG2 3.59Å
438L92.1Very high90.4Very high0 Ų046.9 Ų46.90%023%0.23CC..Hα-helixtrans-61.2-43.6169.7-178.762.8000111.8S434 H435 R440 R441 F480 P502S434-L438 WeakPolarHBondContact O-CB 3.4Å; S434-L438 PolarHBondContact O-N 3.43Å; H435-L438 WeakPolarHBondContact O-CA 3.34Å; H435-L438 WeakPolarHBondContact O-CB 3.45Å; H435-L438 PolarHBondContact O-N 3.01Å; H435-L438 VanDerWaalsContact O-N 3.09Å; L438-R440 PolarHBondContact O-N 3.37Å; L438-R441 PolarHBondContact O-N 3.38Å; L438-F480 HydrophobicContact CD1-CB 3.85Å; L438-F480 HydrophobicContact CD1-CD2 3.9Å; L438-F480 HydrophobicContact CD1-CG 4.22Å; L438-F480 HydrophobicContact CD2-CB 4.02Å; L438-F480 HydrophobicContact CG-CB 4.17Å; L438-F480 HydrophobicContact CG-CD2 4.35Å; L438-P502 HydrophobicContact CD1-CB 3.7Å
439Q89.6Confident90.5Very high62 Ų6247 Ų4729%0.2923%0.231SC..Hα-helixtrans-65.5-18175.4-57.6-46.1-64.700112.9H435 E436 S478H435-Q439 PolarHBondContact CE1-NE2 3.34Å; H435-Q439 VanDerWaalsContact CE1-NE2 3.26Å; H435-Q439 WeakPolarHBondContact O-CG 3.35Å; H435-Q439 PolarHBondContact O-N 3.2Å; E436-Q439 PolarHBondContact O-N 2.74Å; Q439-S478 PolarHBondContact NE2-OG 3.15Å; Q439-S478 VanDerWaalsContact OE1-CB 3.32Å; Q439-S478 PolarHBondContact OE1-OG 2.88Å
440R89.4Confident90.7Very high161 Ų16146.6 Ų46.661%0.60823%0.228SC*.THydrogen-bonded Turntrans-94.1-6.7177.1-64.9165.6-170.4136.38.5113.5E436 D437 L438E436-R440 WeakPolarHBondContact O-CD 3.41Å; E436-R440 VanDerWaalsContact O-CG 3.31Å; E436-R440 WeakPolarHBondContact O-CG 3.27Å; E436-R440 PolarHBondContact O-N 2.88Å; E436-R440 IonicContact OE2-CZ 3.07Å; E436-R440 IonicContact OE2-NH1 3.85Å; E436-R440 PolarHBondContact OE2-NH1 3.04Å; E436-R440 IonicContact OE2-NH2 3.03Å; E436-R440 PolarHBondContact OE2-NH2 3.33Å; D437-R440 PolarHBondContact O-N 2.73Å; D437-R440 VanDerWaalsContact O-N 3.13Å; D437-R440 IonicContact OD1-CZ 2.6Å; D437-R440 IonicContact OD1-NH1 3.2Å; D437-R440 PolarHBondContact OD1-NH1 3.06Å; L438-R440 PolarHBondContact O-N 3.37Å
441R87.8Confident90.8Very high36 Ų3646.4 Ų46.414%0.13623%0.227CC..SBendtrans-84143.8-175.8-61-137.7-36.816418.6112.3D437 L438 G445 R446D437-R441 WeakPolarHBondContact O-CG 3.32Å; D437-R441 PolarHBondContact O-N 2.83Å; L438-R441 PolarHBondContact O-N 3.38Å; R441-G445 PolarHBondContact NH2-O 2.97Å; R441-G445 VanDerWaalsContact NH2-O 3.08Å; R441-R446 PolarHBondContact NH1-O 3.45Å; R441-R446 VanDerWaalsContact NH2-C 3.25Å; R441-R446 PolarHBondContact NH2-O 2.82Å; R441-R446 VanDerWaalsContact NH2-O 3.15Å
442P83.9Confident91Very high88 Ų8846.4 Ų46.457%0.57123%0.227SC*.  trans-74.2148.4170.232.2-35.1000111.6V444 G445P442-V444 PolarHBondContact O-N 2.93Å; P442-V444 VanDerWaalsContact O-N 3.08Å; P442-G445 PolarHBondContact O-N 2.85Å
443D80.4Confident91.2Very high128 Ų12845.6 Ų45.668%0.68422%0.223SC*.THydrogen-bonded Turntrans-54.7-29179.9-54.9-0.8000114.3G445 F480D443-G445 VanDerWaalsContact C-N 3.29Å; D443-F480 HydrophobicContact CB-CZ 4.32Å
444V82.7Confident91.4Very high129 Ų12941.5 Ų41.578%0.78221%0.208SC*.THydrogen-bonded Turntrans-77-16.5180-165.60000112.1P442P442-V444 PolarHBondContact O-N 2.93Å; P442-V444 VanDerWaalsContact O-N 3.08Å
445G84.1Confident91.2Very high19 Ų1941.8 Ų41.820%0.19621%0.209CC..  trans-68.3151.4178.200000112.3R441 P442 D443 K501 P502R441-G445 PolarHBondContact NH2-O 2.97Å; R441-G445 VanDerWaalsContact NH2-O 3.08Å; P442-G445 PolarHBondContact O-N 2.85Å; D443-G445 VanDerWaalsContact C-N 3.29Å; G445-K501 CarbonylContact O-C 3.6Å; G445-P502 WeakPolarHBondContact O-CD 3.35Å; G445-P502 WeakPolarHBondContact O-CG 3.31Å
446R90.1Very high91Very high117 Ų11744.2 Ų44.244%0.44222%0.223SC..  trans-117.8151.3-177-51.2-168.5-177173.14.2112.4R441 K500R441-R446 PolarHBondContact NH1-O 3.45Å; R441-R446 VanDerWaalsContact NH2-C 3.25Å; R441-R446 PolarHBondContact NH2-O 2.82Å; R441-R446 VanDerWaalsContact NH2-O 3.15Å; R446-K500 WeakPolarHBondContact CG-O 3.24Å
447G92.6Very high91Very high0 Ų045.2 Ų45.20%023%0.228CC..EExtended strand (participates in β ladder)trans84.3-177.2167.400000117.7L499 K501 V503 F526G447-L499 VanDerWaalsContact CA-O 3.26Å; G447-L499 WeakPolarHBondContact CA-O 3.42Å; G447-L499 PolarHBondContact N-O 3.01Å; G447-K501 PolarHBondContact N-O 2.86Å; G447-V503 PolarHBondContact O-N 2.96Å; G447-F526 VanDerWaalsContact CA-CB 3.41Å
448P95.3Very high90.9Very high0 Ų045.6 Ų45.60%024%0.242CC..EExtended strand (participates in β ladder)trans-80.2155.6-178.435.9-32.1000111.2I451 V503 L506 V531P448-I451 HydrophobicContact CG-CD1 4.43Å; P448-I451 HydrophobicContact CG-CG1 3.86Å; P448-V503 CarbonylContact C-O 3.54Å; P448-V503 VanDerWaalsContact CA-O 3.32Å; P448-V503 WeakPolarHBondContact CA-O 3.45Å; P448-V503 HydrophobicContact CB-CB 4.48Å; P448-V503 HydrophobicContact CB-CG1 4.33Å; P448-L506 HydrophobicContact CB-CB 3.7Å; P448-L506 HydrophobicContact CG-CB 3.86Å; P448-L506 HydrophobicContact CG-CD2 4.36Å; P448-V531 HydrophobicContact CG-CG2 4.46Å
449T94.9Very high90.8Very high2 Ų247.6 Ų47.61%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-91.8-26.8172.8-50.70000111.2D437 V503 G504 V531 K532D437-T449 HydrophobicContact CB-CG2 3.59Å; T449-V503 PolarHBondContact N-O 2.88Å; T449-V503 PolarHBondContact OG1-O 3Å; T449-V503 VanDerWaalsContact OG1-O 3.12Å; T449-G504 CarbonylContact C-O 3.52Å; T449-G504 WeakPolarHBondContact CA-O 3.46Å; T449-G504 WeakPolarHBondContact CB-O 3.29Å; T449-G504 PolarHBondContact N-O 2.75Å; T449-V531 WeakPolarHBondContact O-CA 2.99Å; T449-K532 HydrophobicContact CG2-CG 4.16Å; T449-K532 PolarHBondContact O-N 2.77Å
450C96.7Very high91Very high0 Ų044.6 Ų44.60%024%0.238CC..EExtended strand (participates in β ladder)trans-131.2140.7169.2177.10000111.5V430 S434 G504 I505 L506 C533V430-C450 HydrophobicContact CG1-CB 4.37Å; V430-C450 VanDerWaalsContact CG1-SG 3.57Å; S434-C450 WeakPolarHBondContact OG-CB 3.45Å; C450-G504 PolarHBondContact N-O 2.89Å; C450-I505 HydrophobicContact CB-CG1 4.32Å; C450-I505 HydrophobicContact CB-CG2 4.47Å; C450-I505 CarbonylContact O-C 3.57Å; C450-I505 WeakPolarHBondContact O-CA 3.34Å; C450-L506 PolarHBondContact O-N 2.9Å; C450-C533 CarbonylContact C-O 3.57Å; C450-C533 VanDerWaalsContact CA-O 3.29Å; C450-C533 WeakPolarHBondContact CA-O 3.24Å; C450-C533 HydrophobicContact CB-CB 4.06Å; C450-C533 VanDerWaalsContact SG-SG 3.64Å
451I97.8Very high91.2Very high1 Ų141.2 Ų41.21%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-106.8124.4168.9-57.7175.8000108.7P448 V453 L513 F526 V531 C533 I534 A535 F561P448-I451 HydrophobicContact CG-CD1 4.43Å; P448-I451 HydrophobicContact CG-CG1 3.86Å; I451-V453 HydrophobicContact CG2-CG2 4.17Å; I451-L513 HydrophobicContact CD1-CD1 4.46Å; I451-L513 HydrophobicContact CG2-CD1 4.05Å; I451-L513 HydrophobicContact CG2-CD2 3.85Å; I451-F526 HydrophobicContact CD1-CE2 4.07Å; I451-F526 HydrophobicContact CD1-CZ 4.01Å; I451-V531 HydrophobicContact CD1-CG1 4.25Å; I451-V531 HydrophobicContact CD1-CG2 4.12Å; I451-V531 HydrophobicContact CG1-CG1 4.12Å; I451-V531 HydrophobicContact CG1-CG2 4.34Å; I451-C533 PolarHBondContact N-O 3.32Å; I451-I534 HydrophobicContact CB-CG1 4.37Å; I451-I534 CarbonylContact O-C 3.54Å; I451-I534 VanDerWaalsContact O-CA 3.3Å; I451-I534 WeakPolarHBondContact O-CA 3.19Å; I451-A535 PolarHBondContact O-N 3.33Å; I451-F561 HydrophobicContact CD1-CE1 4.27Å; I451-F561 HydrophobicContact CD1-CZ 3.8Å
452F98.3Very high91.5Very high0 Ų044.4 Ų44.40%024%0.244CC..EExtended strand (participates in β ladder)trans-117.3118.8179.5-156.4-64.6000109.7T423 Y426 L427 V430 I463 M467 I505 L506 L507 T508 A535 D537T423-F452 HydrophobicContact CG2-CZ 3.89Å; Y426-F452 AromaticContact CE2-CE2 3.92Å; Y426-F452 HydrophobicContact CE2-CE2 3.92Å; Y426-F452 AromaticContact CE2-CZ 3.96Å; Y426-F452 HydrophobicContact CE2-CZ 3.96Å; L427-F452 HydrophobicContact CD1-CE2 3.98Å; V430-F452 HydrophobicContact CG1-CD2 4.47Å; F452-I463 HydrophobicContact CD1-CG2 4.46Å; F452-I463 HydrophobicContact CE1-CD1 3.84Å; F452-I463 HydrophobicContact CE1-CG2 4.05Å; F452-I463 HydrophobicContact CZ-CD1 4.32Å; F452-I463 HydrophobicContact CZ-CG2 4.08Å; F452-M467 HydrophobicContact CB-CE 4.01Å; F452-M467 HydrophobicContact CD1-CE 4.36Å; F452-M467 HydrophobicContact CD2-CE 3.28Å; F452-M467 HydrophobicContact CE2-CE 3.76Å; F452-M467 HydrophobicContact CG-CE 3.62Å; F452-M467 HydrophobicContact CZ-CE 4.49Å; F452-I505 HydrophobicContact CB-CG2 4Å; F452-L506 PolarHBondContact N-O 3.01Å; F452-L507 HydrophobicContact CB-CD1 3.88Å; F452-L507 HydrophobicContact CD1-CD1 3.54Å; F452-L507 HydrophobicContact CE1-CD1 4.42Å; F452-L507 HydrophobicContact CG-CD1 3.96Å; F452-L507 WeakPolarHBondContact O-CA 3.48Å; F452-T508 PolarHBondContact O-N 2.94Å; F452-A535 HydrophobicContact CD1-CB 4.41Å; F452-A535 HydrophobicContact CD2-CB 3.55Å; F452-A535 HydrophobicContact CE2-CB 3.71Å; F452-A535 HydrophobicContact CG-CB 3.93Å; F452-A535 HydrophobicContact CZ-CB 4.2Å; F452-D537 HydrophobicContact CE1-CB 3.7Å; F452-D537 HydrophobicContact CZ-CB 4.03Å
453V98Very high92.1Very high0 Ų040.4 Ų40.40%022%0.218CC..EExtended strand (participates in β ladder)trans-111.5134.3-179.1-167.70000109.3I451 T508 V510 L513 A535 L536 D537 M542I451-V453 HydrophobicContact CG2-CG2 4.17Å; V453-T508 WeakPolarHBondContact CA-O 3.46Å; V453-V510 HydrophobicContact CG1-CG2 3.79Å; V453-L513 HydrophobicContact CG2-CD2 3.55Å; V453-A535 PolarHBondContact N-O 3.1Å; V453-L536 HydrophobicContact CB-CD2 3.86Å; V453-L536 HydrophobicContact CG2-CD2 3.86Å; V453-D537 PolarHBondContact O-N 3.46Å; V453-M542 HydrophobicContact CB-CE 4.06Å; V453-M542 HydrophobicContact CG1-CE 3.93Å; V453-M542 HydrophobicContact CG1-SD 4.04Å; V453-M542 VanDerWaalsContact O-CE 3.23Å; V453-M542 WeakPolarHBondContact O-CE 3.5Å
454C95.4Very high92.8Very high0 Ų036.6 Ų36.60%020%0.196CC..  trans-134.4166.7173.374.10000110.9N456 G460 I463 W487 T508C454-N456 PolarHBondContact O-N 2.75Å; C454-N456 PolarHBondContact SG-O 2.95Å; C454-N456 VanDerWaalsContact SG-O 3.38Å; C454-G460 WeakPolarHBondContact SG-CA 3.5Å; C454-I463 HydrophobicContact CB-CD1 4.26Å; C454-W487 WeakPolarHBondContact SG-CH2 3.49Å; C454-T508 PolarHBondContact N-O 3.06Å
455P90.7Very high93.3Very high10 Ų1039.2 Ų39.27%0.06519%0.191CC..SBendtrans-74.5-21.4-169.6-16.331.4000114.9D537 N538 D541 M542P455-D537 WeakPolarHBondContact CD-O 3.43Å; P455-N538 HydrophobicContact CG-CB 3.92Å; P455-D541 HydrophobicContact CB-CB 3.75Å; P455-D541 HydrophobicContact CG-CB 3.53Å; P455-M542 HydrophobicContact CB-CG 4.23Å; P455-M542 HydrophobicContact CG-CG 4.06Å
456N88.8Confident93.8Very high68 Ų6841.2 Ų41.236%0.36419%0.193SC..SBendtrans-165.5160.8-178.65774.1000112.1C454 G458 Q459 G460C454-N456 PolarHBondContact O-N 2.75Å; C454-N456 PolarHBondContact SG-O 2.95Å; C454-N456 VanDerWaalsContact SG-O 3.38Å; N456-G458 PolarHBondContact O-N 2.73Å; N456-G458 VanDerWaalsContact O-N 3.15Å; N456-G458 WeakPolarHBondContact OD1-CA 3.26Å; N456-G458 PolarHBondContact OD1-N 3.43Å; N456-G458 VanDerWaalsContact OD1-N 3.09Å; N456-Q459 PolarHBondContact O-N 2.81Å; N456-Q459 PolarHBondContact OD1-N 3.3Å; N456-G460 PolarHBondContact O-N 2.77Å
457Q91Very high94.1Very high84 Ų8435.7 Ų35.739%0.39317%0.172SC..Hα-helixtrans-55.2-30.7177.2-174.9-1698400113.6G460 K461 W487Q457-G460 PolarHBondContact O-N 3.46Å; Q457-K461 VanDerWaalsContact CD-CE 3.45Å; Q457-K461 VanDerWaalsContact CD-NZ 3.27Å; Q457-K461 HydrophobicContact CG-CD 3.89Å; Q457-K461 HydrophobicContact CG-CG 4.12Å; Q457-K461 WeakPolarHBondContact O-CB 3.29Å; Q457-K461 WeakPolarHBondContact O-CG 3.44Å; Q457-K461 PolarHBondContact O-N 3.47Å; Q457-W487 HydrophobicContact CB-CB 4.39Å; Q457-W487 HydrophobicContact CB-CD2 4.04Å; Q457-W487 HydrophobicContact CB-CE3 4.03Å; Q457-W487 HydrophobicContact CB-CG 4.21Å; Q457-W487 HydrophobicContact CG-CB 3.95Å; Q457-W487 HydrophobicContact CG-CD2 3.84Å; Q457-W487 HydrophobicContact CG-CE3 4.35Å; Q457-W487 HydrophobicContact CG-CG 3.63Å
458G90.3Very high94Very high52 Ų5238.6 Ų38.654%0.53619%0.192SC..Hα-helixtrans-64.6-49-18000000112.5N456 G460 Q462N456-G458 PolarHBondContact O-N 2.73Å; N456-G458 VanDerWaalsContact O-N 3.15Å; N456-G458 WeakPolarHBondContact OD1-CA 3.26Å; N456-G458 PolarHBondContact OD1-N 3.43Å; N456-G458 VanDerWaalsContact OD1-N 3.09Å; G458-G460 VanDerWaalsContact C-N 3.34Å; G458-Q462 PolarHBondContact O-N 3.14Å
459Q89.3Confident93.8Very high42 Ų4241.2 Ų41.220%0.19621%0.208CC..Hα-helixtrans-66-39.8171-65.1-174.416.800110.9N456 K461 Q462 I463 N538N456-Q459 PolarHBondContact O-N 2.81Å; N456-Q459 PolarHBondContact OD1-N 3.3Å; Q459-K461 PolarHBondContact O-N 3.21Å; Q459-Q462 WeakPolarHBondContact O-CB 3.45Å; Q459-Q462 PolarHBondContact O-N 2.94Å; Q459-Q462 VanDerWaalsContact O-N 3.13Å; Q459-I463 WeakPolarHBondContact O-CG1 3.37Å; Q459-I463 PolarHBondContact O-N 3.17Å; Q459-N538 PolarHBondContact OE1-ND2 2.74Å; Q459-N538 VanDerWaalsContact OE1-ND2 3.14Å
460G94.1Very high93.8Very high0 Ų041.1 Ų41.10%021%0.208CC..Hα-helixtrans-53.1-54.6176.100000113.8C454 N456 Q457 G458 Q462 I463 E464 W487C454-G460 WeakPolarHBondContact SG-CA 3.5Å; N456-G460 PolarHBondContact O-N 2.77Å; Q457-G460 PolarHBondContact O-N 3.46Å; G458-G460 VanDerWaalsContact C-N 3.34Å; G460-Q462 PolarHBondContact O-N 2.79Å; G460-I463 PolarHBondContact O-N 2.73Å; G460-E464 WeakPolarHBondContact O-CB 3.26Å; G460-E464 PolarHBondContact O-N 2.8Å; G460-W487 VanDerWaalsContact CA-CH2 3.47Å; G460-W487 VanDerWaalsContact CA-CZ2 3.43Å
461K94.1Very high93.5Very high90 Ų9041.5 Ų41.539%0.39121%0.21SC..Hα-helixtrans-61-25.2177.3-76.6173.2170.61700113.5Q457 Q459 R465Q457-K461 VanDerWaalsContact CD-CE 3.45Å; Q457-K461 VanDerWaalsContact CD-NZ 3.27Å; Q457-K461 HydrophobicContact CG-CD 3.89Å; Q457-K461 HydrophobicContact CG-CG 4.12Å; Q457-K461 WeakPolarHBondContact O-CB 3.29Å; Q457-K461 WeakPolarHBondContact O-CG 3.44Å; Q457-K461 PolarHBondContact O-N 3.47Å; Q459-K461 PolarHBondContact O-N 3.21Å; K461-R465 WeakPolarHBondContact O-CD 3.38Å; K461-R465 VanDerWaalsContact O-CG 3.29Å; K461-R465 WeakPolarHBondContact O-CG 3.44Å; K461-R465 PolarHBondContact O-N 2.84Å
462Q93.4Very high93Very high103 Ų10346.3 Ų46.348%0.48124%0.242SC..Hα-helixtrans-75.5-43.3172.5-173.6174.732.600111.5G458 Q459 G460 R465 W466G458-Q462 PolarHBondContact O-N 3.14Å; Q459-Q462 WeakPolarHBondContact O-CB 3.45Å; Q459-Q462 PolarHBondContact O-N 2.94Å; Q459-Q462 VanDerWaalsContact O-N 3.13Å; G460-Q462 PolarHBondContact O-N 2.79Å; Q462-R465 PolarHBondContact O-N 3.16Å; Q462-W466 HydrophobicContact CG-CD2 4.46Å; Q462-W466 HydrophobicContact CG-CH2 3.82Å; Q462-W466 HydrophobicContact CG-CZ2 3.63Å; Q462-W466 HydrophobicContact CG-CZ3 4.32Å; Q462-W466 PolarHBondContact O-N 3.48Å
463I95.5Very high92.2Very high4 Ų449.7 Ų49.72%0.02126%0.26CS..Hα-helixtrans-67.8-40.5178.4-65.4169.8000110.8T423 L427 F452 C454 Q459 G460 R465 W466 M467 L507T423-I463 HydrophobicContact CG2-CD1 4.13Å; T423-I463 HydrophobicContact CG2-CG1 4.25Å; L427-I463 HydrophobicContact CD1-CG2 4.33Å; F452-I463 HydrophobicContact CD1-CG2 4.46Å; F452-I463 HydrophobicContact CE1-CD1 3.84Å; F452-I463 HydrophobicContact CE1-CG2 4.05Å; F452-I463 HydrophobicContact CZ-CD1 4.32Å; F452-I463 HydrophobicContact CZ-CG2 4.08Å; C454-I463 HydrophobicContact CB-CD1 4.26Å; Q459-I463 WeakPolarHBondContact O-CG1 3.37Å; Q459-I463 PolarHBondContact O-N 3.17Å; G460-I463 PolarHBondContact O-N 2.73Å; I463-R465 PolarHBondContact O-N 3.17Å; I463-W466 HydrophobicContact CG1-CE3 4.1Å; I463-W466 HydrophobicContact CG1-CZ3 4.05Å; I463-W466 WeakPolarHBondContact O-CB 2.96Å; I463-W466 PolarHBondContact O-N 3.02Å; I463-W466 VanDerWaalsContact O-N 3.13Å; I463-M467 HydrophobicContact CG2-CE 3.7Å; I463-M467 HydrophobicContact CG2-CG 4.31Å; I463-M467 HydrophobicContact CG2-SD 4.13Å; I463-M467 WeakPolarHBondContact O-CG 3.33Å; I463-M467 PolarHBondContact O-N 3.04Å; I463-L507 HydrophobicContact CB-CD2 4.48Å; I463-L507 HydrophobicContact CG2-CD1 4.37Å; I463-L507 HydrophobicContact CG2-CD2 4.29Å
464E95.5Very high91.5Very high48 Ų4851.6 Ų51.622%0.22427%0.27CS..Hα-helixtrans-52.6-49172.9-177.3173-142.600111.5G460 W466 M467 S468 T485 L507G460-E464 WeakPolarHBondContact O-CB 3.26Å; G460-E464 PolarHBondContact O-N 2.8Å; E464-W466 VanDerWaalsContact C-N 3.34Å; E464-W466 PolarHBondContact O-N 2.67Å; E464-M467 WeakPolarHBondContact O-CB 3.19Å; E464-M467 PolarHBondContact O-N 3.44Å; E464-S468 PolarHBondContact O-N 3.36Å; E464-S468 PolarHBondContact O-OG 3.47Å; E464-S468 VanDerWaalsContact O-OG 3.12Å; E464-T485 HydrophobicContact CB-CG2 4.48Å; E464-T485 HydrophobicContact CG-CG2 4.11Å; E464-T485 WeakPolarHBondContact OE1-CB 3.13Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.4Å; E464-T485 PolarHBondContact OE1-OG1 3.34Å; E464-L507 HydrophobicContact CB-CD2 3.87Å
465R93.9Very high90.4Very high183 Ų18353.4 Ų53.469%0.69129%0.289SS*.Hα-helixtrans-59.9-41.3176.5-70.3167.2-176.5-172.8-0.4112.7K461 Q462 I463 T469K461-R465 WeakPolarHBondContact O-CD 3.38Å; K461-R465 VanDerWaalsContact O-CG 3.29Å; K461-R465 WeakPolarHBondContact O-CG 3.44Å; K461-R465 PolarHBondContact O-N 2.84Å; Q462-R465 PolarHBondContact O-N 3.16Å; I463-R465 PolarHBondContact O-N 3.17Å; R465-T469 PolarHBondContact O-N 3.45Å; R465-T469 VanDerWaalsContact O-N 3.13Å; R465-T469 PolarHBondContact O-OG1 2.7Å
466W94.6Very high89.2Confident62 Ų6255.9 Ų55.924%0.23531%0.306CS..Hα-helixtrans-66.9-43.2175.4-62.5-29.9000111.9W424 L427 Q462 I463 E464 T469 L470W424-W466 HydrophobicContact CH2-CB 4.15Å; W424-W466 HydrophobicContact CH2-CG 4.3Å; W424-W466 HydrophobicContact CZ2-CB 3.86Å; W424-W466 AromaticContact CZ2-CD1 3.77Å; W424-W466 AromaticContact CZ2-CD2 3.8Å; W424-W466 HydrophobicContact CZ2-CD2 3.8Å; W424-W466 HydrophobicContact CZ2-CE3 4.39Å; W424-W466 AromaticContact CZ2-CG 3.55Å; W424-W466 HydrophobicContact CZ2-CG 3.55Å; W424-W466 AromaticContact NE1-CD2 3.87Å; W424-W466 AromaticContact NE1-CE2 3.86Å; W424-W466 AromaticContact NE1-CE3 3.92Å; W424-W466 AromaticContact NE1-CZ2 3.93Å; L427-W466 HydrophobicContact CD2-CB 3.76Å; L427-W466 HydrophobicContact CD2-CE3 3.98Å; Q462-W466 HydrophobicContact CG-CD2 4.46Å; Q462-W466 HydrophobicContact CG-CH2 3.82Å; Q462-W466 HydrophobicContact CG-CZ2 3.63Å; Q462-W466 HydrophobicContact CG-CZ3 4.32Å; Q462-W466 PolarHBondContact O-N 3.48Å; I463-W466 HydrophobicContact CG1-CE3 4.1Å; I463-W466 HydrophobicContact CG1-CZ3 4.05Å; I463-W466 WeakPolarHBondContact O-CB 2.96Å; I463-W466 PolarHBondContact O-N 3.02Å; I463-W466 VanDerWaalsContact O-N 3.13Å; E464-W466 VanDerWaalsContact C-N 3.34Å; E464-W466 PolarHBondContact O-N 2.67Å; W466-T469 PolarHBondContact O-N 3.38Å; W466-L470 VanDerWaalsContact O-CG 3.29Å; W466-L470 WeakPolarHBondContact O-CG 3.18Å; W466-L470 PolarHBondContact O-N 2.95Å
467M95.3Very high87.9Confident0 Ų057.2 Ų57.20%033%0.327CS..Hα-helixtrans-57.8-52.9174.8-72.5177.1169.800110.9L427 F452 I463 E464 T469 L470 L471 V483 I505 L507L427-M467 HydrophobicContact CD1-CE 3.67Å; L427-M467 HydrophobicContact CD1-CG 3.82Å; F452-M467 HydrophobicContact CB-CE 4.01Å; F452-M467 HydrophobicContact CD1-CE 4.36Å; F452-M467 HydrophobicContact CD2-CE 3.28Å; F452-M467 HydrophobicContact CE2-CE 3.76Å; F452-M467 HydrophobicContact CG-CE 3.62Å; F452-M467 HydrophobicContact CZ-CE 4.49Å; I463-M467 HydrophobicContact CG2-CE 3.7Å; I463-M467 HydrophobicContact CG2-CG 4.31Å; I463-M467 HydrophobicContact CG2-SD 4.13Å; I463-M467 WeakPolarHBondContact O-CG 3.33Å; I463-M467 PolarHBondContact O-N 3.04Å; E464-M467 WeakPolarHBondContact O-CB 3.19Å; E464-M467 PolarHBondContact O-N 3.44Å; M467-T469 VanDerWaalsContact C-N 3.26Å; M467-T469 PolarHBondContact O-N 2.88Å; M467-L470 WeakPolarHBondContact O-CB 3.27Å; M467-L470 PolarHBondContact O-N 2.55Å; M467-L471 HydrophobicContact CB-CD1 4.08Å; M467-L471 WeakPolarHBondContact O-CB 3.27Å; M467-L471 WeakPolarHBondContact O-CD1 3.22Å; M467-L471 VanDerWaalsContact O-CG 3.25Å; M467-L471 WeakPolarHBondContact O-CG 3.4Å; M467-L471 PolarHBondContact O-N 2.98Å; M467-V483 HydrophobicContact CB-CG2 4.12Å; M467-V483 HydrophobicContact SD-CG1 4.38Å; M467-I505 HydrophobicContact CE-CD1 4.03Å; M467-I505 HydrophobicContact CE-CG2 3.92Å; M467-I505 HydrophobicContact CG-CD1 4.37Å; M467-I505 HydrophobicContact SD-CD1 3.97Å; M467-I505 HydrophobicContact SD-CG2 4.13Å; M467-L507 HydrophobicContact SD-CD2 3.98Å
468S92.1Very high86.7Confident61 Ų6154.9 Ų54.943%0.42732%0.32SS..Hα-helixtrans-59-35.6179.5-58.40000112.7E464 C472E464-S468 PolarHBondContact O-N 3.36Å; E464-S468 PolarHBondContact O-OG 3.47Å; E464-S468 VanDerWaalsContact O-OG 3.12Å; S468-C472 WeakPolarHBondContact O-CB 3.38Å; S468-C472 PolarHBondContact O-N 3.19Å
469T91.2Very high85.9Confident55 Ų5555.9 Ų55.934%0.33733%0.33SS..Hα-helixtrans-72.2-35175.9-52.40000112.6M388 R465 W466 M467M388-T469 HydrophobicContact CE-CG2 3.72Å; M388-T469 HydrophobicContact CG-CG2 3.87Å; M388-T469 HydrophobicContact SD-CG2 3.67Å; R465-T469 PolarHBondContact O-N 3.45Å; R465-T469 VanDerWaalsContact O-N 3.13Å; R465-T469 PolarHBondContact O-OG1 2.7Å; W466-T469 PolarHBondContact O-N 3.38Å; M467-T469 VanDerWaalsContact C-N 3.26Å; M467-T469 PolarHBondContact O-N 2.88Å
470L93.1Very high85.8Confident0 Ų055.4 Ų55.40%033%0.327CS..Hα-helixtrans-69.5-40.8174.6-69.9167.6000112.2I381 A384 M385 M388 W424 L427 C431 W466 M467I381-L470 HydrophobicContact CD1-CB 3.93Å; I381-L470 HydrophobicContact CD1-CD2 4.02Å; I381-L470 WeakPolarHBondContact CD1-O 3.13Å; I381-L470 HydrophobicContact CG2-CD2 4.23Å; A384-L470 HydrophobicContact CB-CD2 4.02Å; M385-L470 HydrophobicContact CG-CD2 3.97Å; M388-L470 HydrophobicContact CE-CD2 3.74Å; M388-L470 HydrophobicContact CE-CG 3.93Å; W424-L470 HydrophobicContact CH2-CD1 4.17Å; W424-L470 HydrophobicContact CH2-CD2 4.44Å; W424-L470 HydrophobicContact CH2-CG 4.44Å; W424-L470 HydrophobicContact CZ3-CD1 4.01Å; W424-L470 HydrophobicContact CZ3-CD2 4.18Å; W424-L470 HydrophobicContact CZ3-CG 4.47Å; L427-L470 HydrophobicContact CD2-CD1 4.22Å; L427-L470 HydrophobicContact CG-CD1 3.89Å; C431-L470 HydrophobicContact CB-CB 3.91Å; C431-L470 HydrophobicContact CB-CD1 4.08Å; C431-L470 VanDerWaalsContact SG-CD1 3.52Å; W466-L470 VanDerWaalsContact O-CG 3.29Å; W466-L470 WeakPolarHBondContact O-CG 3.18Å; W466-L470 PolarHBondContact O-N 2.95Å; M467-L470 WeakPolarHBondContact O-CB 3.27Å; M467-L470 PolarHBondContact O-N 2.55Å
471L91.6Very high85.6Confident8 Ų858.9 Ų58.94%0.04234%0.343CS..Hα-helixtrans-82.1-39.6-172.6-66.5160.4000112.3C431 H435 M467 L473 L474 D482 V483 I505C431-L471 HydrophobicContact CB-CD2 3.92Å; C431-L471 HydrophobicContact CB-CG 4.09Å; C431-L471 WeakPolarHBondContact O-CD2 3.33Å; H435-L471 HydrophobicContact CB-CD2 3.83Å; M467-L471 HydrophobicContact CB-CD1 4.08Å; M467-L471 WeakPolarHBondContact O-CB 3.27Å; M467-L471 WeakPolarHBondContact O-CD1 3.22Å; M467-L471 VanDerWaalsContact O-CG 3.25Å; M467-L471 WeakPolarHBondContact O-CG 3.4Å; M467-L471 PolarHBondContact O-N 2.98Å; L471-L473 PolarHBondContact O-N 2.97Å; L471-L473 VanDerWaalsContact O-N 3.1Å; L471-L474 HydrophobicContact CD2-CD1 4.36Å; L471-L474 WeakPolarHBondContact O-CB 3.45Å; L471-L474 PolarHBondContact O-N 3.28Å; L471-D482 HydrophobicContact CD1-CB 4.22Å; L471-V483 HydrophobicContact CD1-CG2 3.4Å; L471-I505 HydrophobicContact CD1-CD1 4.28Å
472C86.9Confident85.5Confident102 Ų10256 Ų5669%0.68933%0.332SS*.Hα-helixtrans-52.4-37179.2177.70000113.2S468 G475S468-C472 WeakPolarHBondContact O-CB 3.38Å; S468-C472 PolarHBondContact O-N 3.19Å; C472-G475 PolarHBondContact O-N 2.85Å
473L80.9Confident85.6Confident71 Ų7152.4 Ų52.437%0.37232%0.317SS..THydrogen-bonded Turntrans-79-13.7-179.8-72171.2000114.6I380 A384 L471 G475I380-L473 VanDerWaalsContact CG2-C 3.46Å; I380-L473 HydrophobicContact CG2-CB 3.81Å; I380-L473 WeakPolarHBondContact CG2-O 3.4Å; A384-L473 HydrophobicContact CB-CD1 3.65Å; L471-L473 PolarHBondContact O-N 2.97Å; L471-L473 VanDerWaalsContact O-N 3.1Å; L473-G475 VanDerWaalsContact C-N 3.33Å
474L83.4Confident85.6Confident41 Ų4152.2 Ų52.222%0.21532%0.316CS..THydrogen-bonded Turntrans-78.4-20.4169.5-66.2170000111.9I380 I381 H435 L471I380-L474 HydrophobicContact CB-CD2 4.11Å; I380-L474 HydrophobicContact CD1-CD2 4.26Å; I380-L474 HydrophobicContact CG2-CD2 3.86Å; I380-L474 HydrophobicContact CG2-CG 4.31Å; I381-L474 HydrophobicContact CD1-CD1 4.16Å; I381-L474 HydrophobicContact CD1-CG 4.43Å; I381-L474 HydrophobicContact CG1-CD2 4.32Å; H435-L474 HydrophobicContact CB-CD1 3.88Å; L471-L474 HydrophobicContact CD2-CD1 4.36Å; L471-L474 WeakPolarHBondContact O-CB 3.45Å; L471-L474 PolarHBondContact O-N 3.28Å
475G71.8Confident85.6Confident37 Ų3751.1 Ų51.138%0.38131%0.313SS..  trans76.9-174.3-168.500000112H435 C472 L473H435-G475 PolarHBondContact CE1-O 3.07Å; C472-G475 PolarHBondContact O-N 2.85Å; L473-G475 VanDerWaalsContact C-N 3.33Å
476S66.3Low85.7Confident62 Ų6242.4 Ų42.443%0.43428%0.28SS..  trans-147.2114.3171.6-165.90000109.2D482S476-D482 PolarHBondContact OG-OD2 2.78Å
477A61.7Low85.6Confident97 Ų9741.2 Ų41.280%0.80228%0.275SS*.SBendtrans-99.8-25.2-178.200000112.5
478S65.6Low85.2Confident35 Ų3544.4 Ų44.425%0.24529%0.293CS..SBendtrans-84.1-9.3-177.565.60000115.2Q439 F480Q439-S478 PolarHBondContact NE2-OG 3.15Å; Q439-S478 VanDerWaalsContact OE1-CB 3.32Å; Q439-S478 PolarHBondContact OE1-OG 2.88Å; S478-F480 PolarHBondContact O-N 3.14Å; S478-F480 VanDerWaalsContact O-N 3.15Å; S478-F480 WeakPolarHBondContact OG-CD2 3.42Å
479G74.3Confident84.9Confident72 Ų7246.6 Ų46.674%0.74229%0.294SS*.  trans65.314.2-179.200000115.2
480F86.3Confident84.6Confident32 Ų3249.2 Ų49.214%0.1431%0.311CS..SBendtrans-92.7162.1177.3-62.9-46.9000111.8L438 D443 S478 D482 P502L438-F480 HydrophobicContact CD1-CB 3.85Å; L438-F480 HydrophobicContact CD1-CD2 3.9Å; L438-F480 HydrophobicContact CD1-CG 4.22Å; L438-F480 HydrophobicContact CD2-CB 4.02Å; L438-F480 HydrophobicContact CG-CB 4.17Å; L438-F480 HydrophobicContact CG-CD2 4.35Å; D443-F480 HydrophobicContact CB-CZ 4.32Å; S478-F480 PolarHBondContact O-N 3.14Å; S478-F480 VanDerWaalsContact O-N 3.15Å; S478-F480 WeakPolarHBondContact OG-CD2 3.42Å; F480-D482 PolarHBondContact O-N 2.94Å; F480-P502 HydrophobicContact CB-CB 4.44Å; F480-P502 HydrophobicContact CD1-CB 4.06Å; F480-P502 HydrophobicContact CD1-CG 4.11Å; F480-P502 HydrophobicContact CD2-CB 3.66Å; F480-P502 HydrophobicContact CD2-CG 4.04Å; F480-P502 HydrophobicContact CE1-CB 4.29Å; F480-P502 HydrophobicContact CE1-CG 3.84Å; F480-P502 HydrophobicContact CE2-CB 3.91Å; F480-P502 HydrophobicContact CE2-CG 3.76Å; F480-P502 HydrophobicContact CG-CB 3.79Å; F480-P502 HydrophobicContact CG-CG 4.25Å; F480-P502 HydrophobicContact CZ-CB 4.24Å; F480-P502 HydrophobicContact CZ-CG 3.68Å
481E91Very high84.3Confident73 Ų7353.7 Ų53.734%0.34133%0.331SS..EExtended strand (participates in β ladder)trans-76.8110.1178.8-59.2-169.1-110.200110.5V483 V484 R498 V503 G504E481-V483 VanDerWaalsContact C-N 3.27Å; E481-V483 PolarHBondContact O-N 3.44Å; E481-V484 HydrophobicContact CB-CG2 3.94Å; E481-R498 WeakPolarHBondContact OE1-CG 3.37Å; E481-R498 IonicContact OE1-CZ 2.69Å; E481-R498 IonicContact OE1-NE 3.33Å; E481-R498 PolarHBondContact OE1-NE 2.9Å; E481-R498 IonicContact OE2-CZ 2.69Å; E481-R498 VanDerWaalsContact OE2-CZ 3.25Å; E481-R498 IonicContact OE2-NE 3.17Å; E481-R498 PolarHBondContact OE2-NE 3.13Å; E481-R498 IonicContact OE2-NH2 3.65Å; E481-R498 PolarHBondContact OE2-NH2 3.08Å; E481-V503 WeakPolarHBondContact O-CA 3.4Å; E481-G504 PolarHBondContact O-N 3.14Å
482D91.7Very high84.1Confident30 Ų3054.5 Ų54.516%0.1634%0.336CS..EExtended strand (participates in β ladder)trans-62.7-31.7176.8-72.8-82000112.9H435 L471 S476 F480 G504 I505H435-D482 IonicContact CE1-OD1 3.51Å; H435-D482 IonicContact CG-OD1 3.21Å; H435-D482 IonicContact ND1-OD1 2.7Å; H435-D482 PolarHBondContact ND1-OD1 3.41Å; L471-D482 HydrophobicContact CD1-CB 4.22Å; S476-D482 PolarHBondContact OG-OD2 2.78Å; F480-D482 PolarHBondContact O-N 2.94Å; D482-G504 CarbonylContact O-C 3.58Å; D482-G504 WeakPolarHBondContact O-CA 3.36Å; D482-I505 PolarHBondContact O-N 3.02Å
483V94.9Very high84.2Confident27 Ų2755.3 Ų55.316%0.16434%0.337CS..EExtended strand (participates in β ladder)trans-139.3130.2175.5-171.30000110.9M467 L471 E481 I505 L507M467-V483 HydrophobicContact CB-CG2 4.12Å; M467-V483 HydrophobicContact SD-CG1 4.38Å; L471-V483 HydrophobicContact CD1-CG2 3.4Å; E481-V483 VanDerWaalsContact C-N 3.27Å; E481-V483 PolarHBondContact O-N 3.44Å; V483-I505 CarbonylContact C-O 3.56Å; V483-I505 WeakPolarHBondContact CA-O 3.48Å; V483-L507 HydrophobicContact CG1-CB 4.45Å
484V95.4Very high84.7Confident0 Ų054.8 Ų54.80%034%0.335CS..EExtended strand (participates in β ladder)trans-116.5119.2167.4172.30000108.6E481 I495 V503 I505 L506 L507E481-V484 HydrophobicContact CB-CG2 3.94Å; V484-I495 HydrophobicContact CG1-CD1 3.91Å; V484-I495 HydrophobicContact CG1-CG2 4.45Å; V484-V503 HydrophobicContact CB-CG1 4.02Å; V484-V503 HydrophobicContact CG2-CB 4.41Å; V484-V503 HydrophobicContact CG2-CG1 3.63Å; V484-V503 HydrophobicContact CG2-CG2 3.82Å; V484-I505 PolarHBondContact N-O 3.17Å; V484-L506 HydrophobicContact CG1-CD1 4.39Å; V484-L506 WeakPolarHBondContact O-CA 3.07Å; V484-L507 PolarHBondContact O-N 3.49Å
485T96.1Very high85.2Confident25 Ų2552.9 Ų52.915%0.15333%0.325CS..EExtended strand (participates in β ladder)trans-96.2139173.6310000112.4E464 W487 I495 L507E464-T485 HydrophobicContact CB-CG2 4.48Å; E464-T485 HydrophobicContact CG-CG2 4.11Å; E464-T485 WeakPolarHBondContact OE1-CB 3.13Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.4Å; E464-T485 PolarHBondContact OE1-OG1 3.34Å; T485-W487 HydrophobicContact CG2-CZ2 3.91Å; T485-I495 VanDerWaalsContact O-CD1 3.28Å; T485-I495 WeakPolarHBondContact O-CD1 3.41Å; T485-L507 WeakPolarHBondContact CA-O 3.47Å; T485-L507 HydrophobicContact CG2-CB 3.84Å; T485-L507 HydrophobicContact CG2-CD2 3.78Å; T485-L507 HydrophobicContact CG2-CG 3.92Å
486H95.1Very high86.2Confident0 Ų052.3 Ų52.30%031%0.314CS..EExtended strand (participates in β ladder)trans-130.8111.7175.5178.231000109.7D488 I495 L506 L507 T508 L512H486-D488 PolarHBondContact CE1-O 3.25Å; H486-D488 PolarHBondContact ND1-O 2.95Å; H486-I495 HydrophobicContact CB-CD1 4.12Å; H486-I495 HydrophobicContact CB-CG1 3.94Å; H486-I495 HydrophobicContact CB-CG2 4.09Å; H486-L506 HydrophobicContact CB-CD1 4.39Å; H486-L507 PolarHBondContact N-O 3.01Å; H486-T508 WeakPolarHBondContact O-CB 3.29Å; H486-T508 PolarHBondContact O-OG1 3.31Å; H486-L512 VanDerWaalsContact O-CD1 3.23Å; H486-L512 WeakPolarHBondContact O-CD1 3.5Å
487W92.9Very high87.3Confident37 Ų3756.5 Ų56.514%0.1432%0.32CS..  trans-129.6-9.3-175.3-57.5123.4000115.4C454 Q457 G460 T485 L507 T508 L512C454-W487 WeakPolarHBondContact SG-CH2 3.49Å; Q457-W487 HydrophobicContact CB-CB 4.39Å; Q457-W487 HydrophobicContact CB-CD2 4.04Å; Q457-W487 HydrophobicContact CB-CE3 4.03Å; Q457-W487 HydrophobicContact CB-CG 4.21Å; Q457-W487 HydrophobicContact CG-CB 3.95Å; Q457-W487 HydrophobicContact CG-CD2 3.84Å; Q457-W487 HydrophobicContact CG-CE3 4.35Å; Q457-W487 HydrophobicContact CG-CG 3.63Å; G460-W487 VanDerWaalsContact CA-CH2 3.47Å; G460-W487 VanDerWaalsContact CA-CZ2 3.43Å; T485-W487 HydrophobicContact CG2-CZ2 3.91Å; W487-L507 HydrophobicContact CH2-CD1 4.21Å; W487-L507 HydrophobicContact CH2-CG 3.95Å; W487-L507 HydrophobicContact CZ2-CD1 4.45Å; W487-L507 HydrophobicContact CZ2-CD2 4.14Å; W487-L507 HydrophobicContact CZ2-CG 3.75Å; W487-T508 VanDerWaalsContact CZ3-C 3.41Å; W487-L512 VanDerWaalsContact C-CD1 3.43Å; W487-L512 VanDerWaalsContact CA-CD1 3.41Å
488D88Confident88.8Confident67 Ų6754.3 Ų54.336%0.35829%0.291SS..  trans-131.6138.7179.7-178.36.4000110.2H486 T490 Q491H486-D488 PolarHBondContact CE1-O 3.25Å; H486-D488 PolarHBondContact ND1-O 2.95Å; D488-T490 VanDerWaalsContact C-N 3.32Å; D488-T490 PolarHBondContact OD1-N 3.1Å; D488-T490 PolarHBondContact OD2-OG1 3.08Å; D488-Q491 HydrophobicContact CB-CG 4.13Å; D488-Q491 PolarHBondContact O-N 3.06Å
489K83.9Confident90.1Very high107 Ų10752.7 Ų52.747%0.46528%0.28SS..SBendtrans-70-27.2179.2-64.4-176.2174.6162.20112.3Q491 L492 D511 L512K489-Q491 PolarHBondContact O-N 2.75Å; K489-L492 PolarHBondContact O-N 3.39Å; K489-D511 WeakPolarHBondContact CE-OD2 3.05Å; K489-D511 IonicContact NZ-OD2 3.41Å; K489-D511 PolarHBondContact NZ-OD2 2.75Å; K489-L512 HydrophobicContact CB-CD2 4.47Å; K489-L512 HydrophobicContact CD-CD2 4.21Å; K489-L512 HydrophobicContact CG-CD2 3.36Å
490T85.9Confident90.9Very high111 Ų11154.8 Ų54.868%0.68127%0.269SS*.THydrogen-bonded Turntrans-61.9-32.8173.972.40000111.7D488 L492D488-T490 VanDerWaalsContact C-N 3.32Å; D488-T490 PolarHBondContact OD1-N 3.1Å; D488-T490 PolarHBondContact OD2-OG1 3.08Å; T490-L492 VanDerWaalsContact C-N 3.27Å; T490-L492 PolarHBondContact O-N 2.83Å
491Q87.5Confident91.1Very high93 Ų9360 Ų6044%0.43529%0.291SS..THydrogen-bonded Turntrans-81.10.8-174.3-61177.8-1100113.8D488 K489 V493 D494 I495D488-Q491 HydrophobicContact CB-CG 4.13Å; D488-Q491 PolarHBondContact O-N 3.06Å; K489-Q491 PolarHBondContact O-N 2.75Å; Q491-V493 VanDerWaalsContact C-N 3.26Å; Q491-V493 PolarHBondContact O-N 2.97Å; Q491-V493 VanDerWaalsContact O-N 3.14Å; Q491-D494 WeakPolarHBondContact O-CB 3.31Å; Q491-D494 PolarHBondContact O-N 2.98Å; Q491-I495 HydrophobicContact CB-CG1 4.45Å; Q491-I495 WeakPolarHBondContact O-CG1 3.22Å; Q491-I495 PolarHBondContact O-N 3.15Å
492L87.4Confident91.2Very high25 Ų2556.6 Ų56.613%0.13128%0.275CS..Hα-helixtrans-49.4-44.9-175.1179.471.5000112.8K489 T490 D494 I495 V496 Q515 L516K489-L492 PolarHBondContact O-N 3.39Å; T490-L492 VanDerWaalsContact C-N 3.27Å; T490-L492 PolarHBondContact O-N 2.83Å; L492-D494 VanDerWaalsContact C-N 3.3Å; L492-D494 PolarHBondContact O-N 2.76Å; L492-I495 PolarHBondContact O-N 3.16Å; L492-V496 HydrophobicContact CD1-CG2 4.18Å; L492-V496 HydrophobicContact CG-CG2 4.34Å; L492-V496 WeakPolarHBondContact O-CB 3.42Å; L492-V496 VanDerWaalsContact O-CG2 3.26Å; L492-V496 WeakPolarHBondContact O-CG2 3.49Å; L492-V496 PolarHBondContact O-N 2.92Å; L492-Q515 HydrophobicContact CD1-CG 4.15Å; L492-Q515 HydrophobicContact CD2-CG 4.27Å; L492-L516 HydrophobicContact CD1-CD2 3.71Å; L492-L516 HydrophobicContact CD1-CG 4.32Å
493V88.7Confident91.3Very high119 Ų11955.2 Ų55.272%0.72127%0.268SS*.Hα-helixtrans-63.1-37.7-178.6-178.10000111.5Q491 R497Q491-V493 VanDerWaalsContact C-N 3.26Å; Q491-V493 PolarHBondContact O-N 2.97Å; Q491-V493 VanDerWaalsContact O-N 3.14Å; V493-R497 VanDerWaalsContact O-CB 3.29Å; V493-R497 WeakPolarHBondContact O-CB 3.32Å; V493-R497 PolarHBondContact O-N 2.84Å
494D91.9Very high91.3Very high61 Ų6154 Ų5433%0.32626%0.261SS..Hα-helixtrans-71.5-43.7177.6-171.667.8000112.3Q491 L492 V496 R497 R498Q491-D494 WeakPolarHBondContact O-CB 3.31Å; Q491-D494 PolarHBondContact O-N 2.98Å; L492-D494 VanDerWaalsContact C-N 3.3Å; L492-D494 PolarHBondContact O-N 2.76Å; D494-V496 PolarHBondContact O-N 3.29Å; D494-R497 WeakPolarHBondContact O-CB 3.32Å; D494-R497 PolarHBondContact O-N 3.17Å; D494-R497 VanDerWaalsContact O-N 3.13Å; D494-R497 IonicContact OD1-CZ 3.33Å; D494-R497 IonicContact OD1-NE 2.62Å; D494-R497 PolarHBondContact OD1-NE 2.96Å; D494-R497 IonicContact OD1-NH2 3.1Å; D494-R497 PolarHBondContact OD1-NH2 3.39Å; D494-R497 IonicContact OD2-NH2 2.67Å; D494-R498 WeakPolarHBondContact O-CG 3.35Å; D494-R498 PolarHBondContact O-N 2.96Å; D494-R498 WeakPolarHBondContact OD2-CD 3.39Å; D494-R498 IonicContact OD2-NH1 2.96Å
495I93.5Very high91.4Very high0 Ų054 Ų540%026%0.261CS..Hα-helixtrans-63-44176.6-59.3-58.5000110.4V484 T485 H486 Q491 L492 R497 R498 L499 L516V484-I495 HydrophobicContact CG1-CD1 3.91Å; V484-I495 HydrophobicContact CG1-CG2 4.45Å; T485-I495 VanDerWaalsContact O-CD1 3.28Å; T485-I495 WeakPolarHBondContact O-CD1 3.41Å; H486-I495 HydrophobicContact CB-CD1 4.12Å; H486-I495 HydrophobicContact CB-CG1 3.94Å; H486-I495 HydrophobicContact CB-CG2 4.09Å; Q491-I495 HydrophobicContact CB-CG1 4.45Å; Q491-I495 WeakPolarHBondContact O-CG1 3.22Å; Q491-I495 PolarHBondContact O-N 3.15Å; L492-I495 PolarHBondContact O-N 3.16Å; I495-R497 VanDerWaalsContact C-N 3.3Å; I495-R497 PolarHBondContact O-N 3Å; I495-R498 PolarHBondContact O-N 3.03Å; I495-L499 HydrophobicContact CG2-CD1 3.88Å; I495-L499 HydrophobicContact CG2-CG 4.21Å; I495-L499 WeakPolarHBondContact O-CB 3.33Å; I495-L499 VanDerWaalsContact O-CG 3.28Å; I495-L499 WeakPolarHBondContact O-CG 3.38Å; I495-L499 PolarHBondContact O-N 3.25Å; I495-L516 HydrophobicContact CG2-CD1 4.15Å; I495-L516 HydrophobicContact CG2-CD2 4.15Å
496V91.7Very high91.4Very high26 Ų2652.8 Ų52.816%0.15825%0.253CS..Hα-helixtrans-61.6-36.7173.5168.30000112L492 D494 K500 L516 I525L492-V496 HydrophobicContact CD1-CG2 4.18Å; L492-V496 HydrophobicContact CG-CG2 4.34Å; L492-V496 WeakPolarHBondContact O-CB 3.42Å; L492-V496 VanDerWaalsContact O-CG2 3.26Å; L492-V496 WeakPolarHBondContact O-CG2 3.49Å; L492-V496 PolarHBondContact O-N 2.92Å; D494-V496 PolarHBondContact O-N 3.29Å; V496-K500 WeakPolarHBondContact O-CG 3.3Å; V496-K500 PolarHBondContact O-N 3.22Å; V496-L516 HydrophobicContact CG2-CD2 3.8Å; V496-I525 HydrophobicContact CG1-CD1 4.43Å; V496-I525 HydrophobicContact CG1-CG1 4.09Å; V496-I525 HydrophobicContact CG1-CG2 4.38Å; V496-I525 HydrophobicContact CG2-CD1 3.81Å; V496-I525 HydrophobicContact CG2-CG1 4.3Å; V496-I525 HydrophobicContact CG2-CG2 4.23Å
497R90.6Very high91.6Very high149 Ų14952.8 Ų52.856%0.56225%0.253SS*.Hα-helixtrans-65.6-40.3174.8179.3-165.767.974.20.1112V493 D494 I495V493-R497 VanDerWaalsContact O-CB 3.29Å; V493-R497 WeakPolarHBondContact O-CB 3.32Å; V493-R497 PolarHBondContact O-N 2.84Å; D494-R497 WeakPolarHBondContact O-CB 3.32Å; D494-R497 PolarHBondContact O-N 3.17Å; D494-R497 VanDerWaalsContact O-N 3.13Å; D494-R497 IonicContact OD1-CZ 3.33Å; D494-R497 IonicContact OD1-NE 2.62Å; D494-R497 PolarHBondContact OD1-NE 2.96Å; D494-R497 IonicContact OD1-NH2 3.1Å; D494-R497 PolarHBondContact OD1-NH2 3.39Å; D494-R497 IonicContact OD2-NH2 2.67Å; I495-R497 VanDerWaalsContact C-N 3.3Å; I495-R497 PolarHBondContact O-N 3Å
498R92.7Very high91.8Very high52 Ų5251 Ų5120%0.19625%0.247CC..Hα-helixtrans-71.4-46.1178-70.4163.471-169.31.7111.8E481 D494 I495 K500 K501E481-R498 WeakPolarHBondContact OE1-CG 3.37Å; E481-R498 IonicContact OE1-CZ 2.69Å; E481-R498 IonicContact OE1-NE 3.33Å; E481-R498 PolarHBondContact OE1-NE 2.9Å; E481-R498 IonicContact OE2-CZ 2.69Å; E481-R498 VanDerWaalsContact OE2-CZ 3.25Å; E481-R498 IonicContact OE2-NE 3.17Å; E481-R498 PolarHBondContact OE2-NE 3.13Å; E481-R498 IonicContact OE2-NH2 3.65Å; E481-R498 PolarHBondContact OE2-NH2 3.08Å; D494-R498 WeakPolarHBondContact O-CG 3.35Å; D494-R498 PolarHBondContact O-N 2.96Å; D494-R498 WeakPolarHBondContact OD2-CD 3.39Å; D494-R498 IonicContact OD2-NH1 2.96Å; I495-R498 PolarHBondContact O-N 3.03Å; R498-K500 PolarHBondContact O-N 2.91Å; R498-K500 VanDerWaalsContact O-N 3.1Å; R498-K501 PolarHBondContact O-N 3.49Å
499L92.9Very high92.1Very high0 Ų048.4 Ų48.40%023%0.234CC..Hα-helixtrans-64.5-13.8178.6-65.6179.6000114.3G447 I495 K501 V503 L506 L516 I525 F526G447-L499 VanDerWaalsContact CA-O 3.26Å; G447-L499 WeakPolarHBondContact CA-O 3.42Å; G447-L499 PolarHBondContact N-O 3.01Å; I495-L499 HydrophobicContact CG2-CD1 3.88Å; I495-L499 HydrophobicContact CG2-CG 4.21Å; I495-L499 WeakPolarHBondContact O-CB 3.33Å; I495-L499 VanDerWaalsContact O-CG 3.28Å; I495-L499 WeakPolarHBondContact O-CG 3.38Å; I495-L499 PolarHBondContact O-N 3.25Å; L499-K501 PolarHBondContact O-N 3.16Å; L499-K501 VanDerWaalsContact O-O 3.13Å; L499-V503 HydrophobicContact CD2-CB 4.46Å; L499-V503 HydrophobicContact CD2-CG2 4.2Å; L499-L506 HydrophobicContact CD1-CD1 4.49Å; L499-L506 HydrophobicContact CD1-CD2 4.11Å; L499-L516 HydrophobicContact CD1-CD1 4.04Å; L499-L516 HydrophobicContact CD1-CD2 4.27Å; L499-I525 CarbonylContact C-O 3.59Å; L499-I525 HydrophobicContact CB-CG2 3.83Å; L499-I525 HydrophobicContact CD1-CG2 4.06Å; L499-F526 HydrophobicContact CD1-CD1 4.47Å
500K89.9Confident92.6Very high117 Ų11743.5 Ų43.551%0.50921%0.213SC..THydrogen-bonded Turntrans-66.3-11.4169.7-78.7171.5-177.8-179.90114.1R446 V496 R498R446-K500 WeakPolarHBondContact CG-O 3.24Å; V496-K500 WeakPolarHBondContact O-CG 3.3Å; V496-K500 PolarHBondContact O-N 3.22Å; R498-K500 PolarHBondContact O-N 2.91Å; R498-K500 VanDerWaalsContact O-N 3.1Å
501K90.8Very high92.9Very high140 Ų14039.8 Ų39.861%0.60919%0.189SC*.SBendtrans-106.2173.1171.5-73.5-168.3174.8-168.30111.2G445 G447 R498 L499G445-K501 CarbonylContact O-C 3.6Å; G447-K501 PolarHBondContact N-O 2.86Å; R498-K501 PolarHBondContact O-N 3.49Å; L499-K501 PolarHBondContact O-N 3.16Å; L499-K501 VanDerWaalsContact O-O 3.13Å
502P93.2Very high93.1Very high2 Ų235.6 Ų35.61%0.01317%0.169CC..EExtended strand (participates in β ladder)trans-61.1138.5164.8-20.533.4000113.1L438 G445 F480L438-P502 HydrophobicContact CD1-CB 3.7Å; G445-P502 WeakPolarHBondContact O-CD 3.35Å; G445-P502 WeakPolarHBondContact O-CG 3.31Å; F480-P502 HydrophobicContact CB-CB 4.44Å; F480-P502 HydrophobicContact CD1-CB 4.06Å; F480-P502 HydrophobicContact CD1-CG 4.11Å; F480-P502 HydrophobicContact CD2-CB 3.66Å; F480-P502 HydrophobicContact CD2-CG 4.04Å; F480-P502 HydrophobicContact CE1-CB 4.29Å; F480-P502 HydrophobicContact CE1-CG 3.84Å; F480-P502 HydrophobicContact CE2-CB 3.91Å; F480-P502 HydrophobicContact CE2-CG 3.76Å; F480-P502 HydrophobicContact CG-CB 3.79Å; F480-P502 HydrophobicContact CG-CG 4.25Å; F480-P502 HydrophobicContact CZ-CB 4.24Å; F480-P502 HydrophobicContact CZ-CG 3.68Å
503V94.1Very high93.5Very high1 Ų134.5 Ų34.51%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-138.8146.2176.7170.30000108.8G447 P448 T449 E481 V484 L499G447-V503 PolarHBondContact O-N 2.96Å; P448-V503 CarbonylContact C-O 3.54Å; P448-V503 VanDerWaalsContact CA-O 3.32Å; P448-V503 WeakPolarHBondContact CA-O 3.45Å; P448-V503 HydrophobicContact CB-CB 4.48Å; P448-V503 HydrophobicContact CB-CG1 4.33Å; T449-V503 PolarHBondContact N-O 2.88Å; T449-V503 PolarHBondContact OG1-O 3Å; T449-V503 VanDerWaalsContact OG1-O 3.12Å; E481-V503 WeakPolarHBondContact O-CA 3.4Å; V484-V503 HydrophobicContact CB-CG1 4.02Å; V484-V503 HydrophobicContact CG2-CB 4.41Å; V484-V503 HydrophobicContact CG2-CG1 3.63Å; V484-V503 HydrophobicContact CG2-CG2 3.82Å; L499-V503 HydrophobicContact CD2-CB 4.46Å; L499-V503 HydrophobicContact CD2-CG2 4.2Å
504G94.3Very high93.6Very high1 Ų129.4 Ų29.41%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-71.3-73.4173.900000111T449 C450 E481 D482T449-G504 CarbonylContact C-O 3.52Å; T449-G504 WeakPolarHBondContact CA-O 3.46Å; T449-G504 WeakPolarHBondContact CB-O 3.29Å; T449-G504 PolarHBondContact N-O 2.75Å; C450-G504 PolarHBondContact N-O 2.89Å; E481-G504 PolarHBondContact O-N 3.14Å; D482-G504 CarbonylContact O-C 3.58Å; D482-G504 WeakPolarHBondContact O-CA 3.36Å
505I97.3Very high93.5Very high0 Ų029 Ų290%013%0.128CC..EExtended strand (participates in β ladder)trans-122128.9-175-49.9178.7000110.8V430 C450 F452 M467 L471 D482 V483 V484V430-I505 HydrophobicContact CG1-CD1 4.22Å; C450-I505 HydrophobicContact CB-CG1 4.32Å; C450-I505 HydrophobicContact CB-CG2 4.47Å; C450-I505 CarbonylContact O-C 3.57Å; C450-I505 WeakPolarHBondContact O-CA 3.34Å; F452-I505 HydrophobicContact CB-CG2 4Å; M467-I505 HydrophobicContact CE-CD1 4.03Å; M467-I505 HydrophobicContact CE-CG2 3.92Å; M467-I505 HydrophobicContact CG-CD1 4.37Å; M467-I505 HydrophobicContact SD-CD1 3.97Å; M467-I505 HydrophobicContact SD-CG2 4.13Å; L471-I505 HydrophobicContact CD1-CD1 4.28Å; D482-I505 PolarHBondContact O-N 3.02Å; V483-I505 CarbonylContact C-O 3.56Å; V483-I505 WeakPolarHBondContact CA-O 3.48Å; V484-I505 PolarHBondContact N-O 3.17Å
506L97.5Very high93.4Very high0 Ų029 Ų290%013%0.128CC..EExtended strand (participates in β ladder)trans-92.7117162.4170.562.4000109P448 C450 F452 V484 H486 L499 T508 L516P448-L506 HydrophobicContact CB-CB 3.7Å; P448-L506 HydrophobicContact CG-CB 3.86Å; P448-L506 HydrophobicContact CG-CD2 4.36Å; C450-L506 PolarHBondContact O-N 2.9Å; F452-L506 PolarHBondContact N-O 3.01Å; V484-L506 HydrophobicContact CG1-CD1 4.39Å; V484-L506 WeakPolarHBondContact O-CA 3.07Å; H486-L506 HydrophobicContact CB-CD1 4.39Å; L499-L506 HydrophobicContact CD1-CD1 4.49Å; L499-L506 HydrophobicContact CD1-CD2 4.11Å; L506-T508 HydrophobicContact CG-CG2 4.38Å; L506-L516 HydrophobicContact CD1-CD1 4.45Å; L506-L516 HydrophobicContact CD2-CD1 3.86Å
507L98.1Very high93.2Very high0 Ų028 Ų280%012%0.122CC..EExtended strand (participates in β ladder)trans-112.3119.7179.9173.862.9000110.9F452 I463 E464 M467 V483 V484 T485 H486 W487F452-L507 HydrophobicContact CB-CD1 3.88Å; F452-L507 HydrophobicContact CD1-CD1 3.54Å; F452-L507 HydrophobicContact CE1-CD1 4.42Å; F452-L507 HydrophobicContact CG-CD1 3.96Å; F452-L507 WeakPolarHBondContact O-CA 3.48Å; I463-L507 HydrophobicContact CB-CD2 4.48Å; I463-L507 HydrophobicContact CG2-CD1 4.37Å; I463-L507 HydrophobicContact CG2-CD2 4.29Å; E464-L507 HydrophobicContact CB-CD2 3.87Å; M467-L507 HydrophobicContact SD-CD2 3.98Å; V483-L507 HydrophobicContact CG1-CB 4.45Å; V484-L507 PolarHBondContact O-N 3.49Å; T485-L507 WeakPolarHBondContact CA-O 3.47Å; T485-L507 HydrophobicContact CG2-CB 3.84Å; T485-L507 HydrophobicContact CG2-CD2 3.78Å; T485-L507 HydrophobicContact CG2-CG 3.92Å; H486-L507 PolarHBondContact N-O 3.01Å; W487-L507 HydrophobicContact CH2-CD1 4.21Å; W487-L507 HydrophobicContact CH2-CG 3.95Å; W487-L507 HydrophobicContact CZ2-CD1 4.45Å; W487-L507 HydrophobicContact CZ2-CD2 4.14Å; W487-L507 HydrophobicContact CZ2-CG 3.75Å
508T97.3Very high92.9Very high0 Ų025.4 Ų25.40%012%0.119CC..EExtended strand (participates in β ladder)trans-158.8-172.9-169.3-165.10000114F452 V453 C454 H486 W487 L506 L512 L513F452-T508 PolarHBondContact O-N 2.94Å; V453-T508 WeakPolarHBondContact CA-O 3.46Å; C454-T508 PolarHBondContact N-O 3.06Å; H486-T508 WeakPolarHBondContact O-CB 3.29Å; H486-T508 PolarHBondContact O-OG1 3.31Å; W487-T508 VanDerWaalsContact CZ3-C 3.41Å; L506-T508 HydrophobicContact CG-CG2 4.38Å; T508-L512 VanDerWaalsContact OG1-CB 3.29Å; T508-L512 WeakPolarHBondContact OG1-CB 3.31Å; T508-L513 HydrophobicContact CG2-CB 3.92Å
509S95.3Very high92.4Very high13 Ų1327.8 Ų27.89%0.09113%0.132CC..  trans-105.8168.317362.10000112.3D511 L512 L513S509-D511 WeakPolarHBondContact CB-OD1 3.37Å; S509-D511 PolarHBondContact O-N 2.82Å; S509-D511 PolarHBondContact OG-OD1 3.42Å; S509-L512 PolarHBondContact O-N 2.63Å; S509-L512 WeakPolarHBondContact OG-CD1 3.3Å; S509-L512 VanDerWaalsContact OG-CG 3.29Å; S509-L512 WeakPolarHBondContact OG-CG 3.45Å; S509-L513 WeakPolarHBondContact O-CB 3.45Å; S509-L513 PolarHBondContact O-N 3.36Å
510V94Very high91.6Very high3 Ų328.1 Ų28.12%0.01813%0.134CC..Hα-helixtrans-57.9-47.9-176.51710000113.3V453 L514 M542 L546 D549 L553V453-V510 HydrophobicContact CG1-CG2 3.79Å; V510-L514 PolarHBondContact O-N 3.09Å; V510-M542 HydrophobicContact CG2-CB 4.04Å; V510-M542 HydrophobicContact CG2-CG 4.08Å; V510-M542 HydrophobicContact CG2-SD 3.6Å; V510-L546 HydrophobicContact CB-CD1 4.32Å; V510-D549 VanDerWaalsContact CG1-C 3.49Å; V510-D549 HydrophobicContact CG1-CB 4.15Å; V510-D549 WeakPolarHBondContact CG1-O 3.39Å; V510-L553 HydrophobicContact CB-CD2 4.35Å; V510-L553 HydrophobicContact CG1-CB 4.21Å; V510-L553 HydrophobicContact CG1-CD2 4.02Å; V510-L553 HydrophobicContact CG2-CD2 4.16Å
511D91.3Very high90.4Very high33 Ų3327.8 Ų27.818%0.17614%0.144CC..Hα-helixtrans-70.8-37.7-176.562.3-41.3000112.6K489 S509 L514 Q515 L546K489-D511 WeakPolarHBondContact CE-OD2 3.05Å; K489-D511 IonicContact NZ-OD2 3.41Å; K489-D511 PolarHBondContact NZ-OD2 2.75Å; S509-D511 WeakPolarHBondContact CB-OD1 3.37Å; S509-D511 PolarHBondContact O-N 2.82Å; S509-D511 PolarHBondContact OG-OD1 3.42Å; D511-L514 PolarHBondContact O-N 2.95Å; D511-Q515 WeakPolarHBondContact O-CB 3.39Å; D511-Q515 PolarHBondContact O-N 2.85Å; D511-L546 HydrophobicContact CB-CD1 3.92Å
512L93.7Very high89.1Confident5 Ų527.4 Ų27.43%0.02615%0.153CC..Hα-helixtrans-70.1-39.4175.3-64.9-178.8000111.9H486 W487 K489 T508 S509 Q515 L516H486-L512 VanDerWaalsContact O-CD1 3.23Å; H486-L512 WeakPolarHBondContact O-CD1 3.5Å; W487-L512 VanDerWaalsContact C-CD1 3.43Å; W487-L512 VanDerWaalsContact CA-CD1 3.41Å; K489-L512 HydrophobicContact CB-CD2 4.47Å; K489-L512 HydrophobicContact CD-CD2 4.21Å; K489-L512 HydrophobicContact CG-CD2 3.36Å; T508-L512 VanDerWaalsContact OG1-CB 3.29Å; T508-L512 WeakPolarHBondContact OG1-CB 3.31Å; S509-L512 PolarHBondContact O-N 2.63Å; S509-L512 WeakPolarHBondContact OG-CD1 3.3Å; S509-L512 VanDerWaalsContact OG-CG 3.29Å; S509-L512 WeakPolarHBondContact OG-CG 3.45Å; L512-Q515 WeakPolarHBondContact O-CB 3.45Å; L512-Q515 PolarHBondContact O-N 3.26Å; L512-L516 PolarHBondContact O-N 3.03Å
513L94.3Very high87.9Confident3 Ų328.9 Ų28.92%0.01617%0.169CC..Hα-helixtrans-62.1-48.5170.4-178.856.8000111I451 V453 T508 S509 Q515 L516 L517 L553I451-L513 HydrophobicContact CD1-CD1 4.46Å; I451-L513 HydrophobicContact CG2-CD1 4.05Å; I451-L513 HydrophobicContact CG2-CD2 3.85Å; V453-L513 HydrophobicContact CG2-CD2 3.55Å; T508-L513 HydrophobicContact CG2-CB 3.92Å; S509-L513 WeakPolarHBondContact O-CB 3.45Å; S509-L513 PolarHBondContact O-N 3.36Å; L513-Q515 PolarHBondContact O-N 2.8Å; L513-L516 WeakPolarHBondContact O-CB 3.33Å; L513-L516 PolarHBondContact O-N 3.19Å; L513-L516 VanDerWaalsContact O-N 3.1Å; L513-L517 HydrophobicContact CD1-CD2 4.09Å; L513-L517 HydrophobicContact CD1-CG 4.09Å; L513-L517 HydrophobicContact CG-CD1 4.26Å; L513-L517 HydrophobicContact CG-CG 4.21Å; L513-L517 WeakPolarHBondContact O-CG 3.43Å; L513-L517 PolarHBondContact O-N 2.87Å; L513-L553 HydrophobicContact CD2-CD1 3.74Å; L513-L553 HydrophobicContact CD2-CD2 4.06Å; L513-L553 HydrophobicContact CG-CD1 4.09Å
514L91.6Very high87Confident12 Ų1231.1 Ų31.16%0.06319%0.185CC..Hα-helixtrans-57-37.9175.3-82-176.1000112.9V510 D511 L517 N518 D549 K552 L553 R556V510-L514 PolarHBondContact O-N 3.09Å; D511-L514 PolarHBondContact O-N 2.95Å; L514-L517 PolarHBondContact O-N 3.38Å; L514-N518 WeakPolarHBondContact O-CB 3.39Å; L514-N518 VanDerWaalsContact O-CG 3.3Å; L514-N518 PolarHBondContact O-N 2.94Å; L514-N518 PolarHBondContact O-ND2 3.25Å; L514-D549 HydrophobicContact CD1-CB 3.79Å; L514-D549 WeakPolarHBondContact CD1-O 3.47Å; L514-K552 HydrophobicContact CD1-CB 4.01Å; L514-K552 HydrophobicContact CD1-CD 4.46Å; L514-K552 HydrophobicContact CD2-CB 4.46Å; L514-L553 HydrophobicContact CD2-CB 4.11Å; L514-L553 HydrophobicContact CD2-CD1 4.24Å; L514-L553 HydrophobicContact CG-CB 4.24Å; L514-R556 HydrophobicContact CD2-CG 4.35Å
515Q89.9Confident86.3Confident51 Ų5131.3 Ų31.324%0.23819%0.185CC..Hα-helixtrans-61.5-48.5174.7-169.4169.1-1.600110.8L492 D511 L512 L513 L517 N518 H519L492-Q515 HydrophobicContact CD1-CG 4.15Å; L492-Q515 HydrophobicContact CD2-CG 4.27Å; D511-Q515 WeakPolarHBondContact O-CB 3.39Å; D511-Q515 PolarHBondContact O-N 2.85Å; L512-Q515 WeakPolarHBondContact O-CB 3.45Å; L512-Q515 PolarHBondContact O-N 3.26Å; L513-Q515 PolarHBondContact O-N 2.8Å; Q515-L517 PolarHBondContact O-N 3.17Å; Q515-N518 PolarHBondContact O-N 3.01Å; Q515-H519 PolarHBondContact O-CD2 2.75Å; Q515-H519 PolarHBondContact O-N 2.99Å
516L90.8Very high85.7Confident0 Ų031.3 Ų31.30%019%0.185CC..Hα-helixtrans-59.5-44.8173.6-72.6172.8000112.9L492 I495 V496 L499 L506 L512 L513 H519 N520L492-L516 HydrophobicContact CD1-CD2 3.71Å; L492-L516 HydrophobicContact CD1-CG 4.32Å; I495-L516 HydrophobicContact CG2-CD1 4.15Å; I495-L516 HydrophobicContact CG2-CD2 4.15Å; V496-L516 HydrophobicContact CG2-CD2 3.8Å; L499-L516 HydrophobicContact CD1-CD1 4.04Å; L499-L516 HydrophobicContact CD1-CD2 4.27Å; L506-L516 HydrophobicContact CD1-CD1 4.45Å; L506-L516 HydrophobicContact CD2-CD1 3.86Å; L512-L516 PolarHBondContact O-N 3.03Å; L513-L516 WeakPolarHBondContact O-CB 3.33Å; L513-L516 PolarHBondContact O-N 3.19Å; L513-L516 VanDerWaalsContact O-N 3.1Å; L516-H519 PolarHBondContact O-N 3.23Å; L516-N520 WeakPolarHBondContact O-CB 3.49Å; L516-N520 PolarHBondContact O-N 3.25Å
517L87.8Confident85.3Confident7 Ų734.8 Ų34.84%0.03720%0.204CC..Hα-helixtrans-63.2-43.9-179.7-63.5-174.6000111.7L513 L514 Q515 H519 N520 F526 L553 R556 M560L513-L517 HydrophobicContact CD1-CD2 4.09Å; L513-L517 HydrophobicContact CD1-CG 4.09Å; L513-L517 HydrophobicContact CG-CD1 4.26Å; L513-L517 HydrophobicContact CG-CG 4.21Å; L513-L517 WeakPolarHBondContact O-CG 3.43Å; L513-L517 PolarHBondContact O-N 2.87Å; L514-L517 PolarHBondContact O-N 3.38Å; Q515-L517 PolarHBondContact O-N 3.17Å; L517-H519 PolarHBondContact O-N 3.37Å; L517-N520 PolarHBondContact O-N 3.48Å; L517-F526 HydrophobicContact CD2-CE1 4.29Å; L517-F526 HydrophobicContact CD2-CZ 3.6Å; L517-L553 HydrophobicContact CD1-CD1 3.85Å; L517-R556 HydrophobicContact CD1-CB 4.44Å; L517-M560 HydrophobicContact CB-SD 4.1Å; L517-M560 HydrophobicContact CD1-SD 4Å; L517-M560 HydrophobicContact CD2-CE 3.88Å; L517-M560 HydrophobicContact CD2-SD 3.8Å; L517-M560 HydrophobicContact CG-SD 4.16Å
518N85.1Confident84.8Confident93 Ų9335.8 Ų35.850%0.49721%0.212SC..Hα-helixtrans-68.1-22.8178.5-70.3-41.1000113L514 Q515 R556L514-N518 WeakPolarHBondContact O-CB 3.39Å; L514-N518 VanDerWaalsContact O-CG 3.3Å; L514-N518 PolarHBondContact O-N 2.94Å; L514-N518 PolarHBondContact O-ND2 3.25Å; Q515-N518 PolarHBondContact O-N 3.01Å; N518-R556 PolarHBondContact OD1-NH2 3.04Å
519H81.9Confident84.3Confident102 Ų10239.9 Ų39.947%0.47223%0.231SC..THydrogen-bonded Turntrans-88.74.1171.1-70-63.5000114.1Q515 L516 L517 P521 I525Q515-H519 PolarHBondContact O-CD2 2.75Å; Q515-H519 PolarHBondContact O-N 2.99Å; L516-H519 PolarHBondContact O-N 3.23Å; L517-H519 PolarHBondContact O-N 3.37Å; H519-P521 WeakPolarHBondContact O-CD 3.25Å; H519-I525 VanDerWaalsContact C-CD1 3.47Å; H519-I525 HydrophobicContact CB-CD1 3.75Å; H519-I525 VanDerWaalsContact O-CD1 3.24Å; H519-I525 WeakPolarHBondContact O-CD1 3.39Å
520N75.7Confident84.1Confident8 Ų839.7 Ų39.74%0.04323%0.231CC..  trans-110.246.4-177.6-162.126.2000114.9L516 L517 V522 G523 S524 I525 F526L516-N520 WeakPolarHBondContact O-CB 3.49Å; L516-N520 PolarHBondContact O-N 3.25Å; L517-N520 PolarHBondContact O-N 3.48Å; N520-V522 PolarHBondContact O-N 2.88Å; N520-G523 PolarHBondContact O-N 3.22Å; N520-G523 VanDerWaalsContact OD1-CA 3.22Å; N520-G523 WeakPolarHBondContact OD1-CA 3.35Å; N520-S524 PolarHBondContact OD1-N 3.42Å; N520-I525 HydrophobicContact CB-CB 4.3Å; N520-I525 HydrophobicContact CB-CD1 4.04Å; N520-I525 HydrophobicContact CB-CG1 4.27Å; N520-I525 PolarHBondContact OD1-N 3.28Å; N520-F526 PolarHBondContact ND2-O 3.3Å; N520-F526 PolarHBondContact OD1-N 3.3Å
521P64.4Low84Confident109 Ų10939.6 Ų39.671%0.70823%0.23SC*.THydrogen-bonded Turntrans-67-13.6-167.228.3-36.9000115.8H519H519-P521 WeakPolarHBondContact O-CD 3.25Å
522V63.5Low84.2Confident132 Ų13242.2 Ų42.280%0.824%0.24SC*.THydrogen-bonded Turntrans-139.330.7-178.9-154.90000111.7N520 S524N520-V522 PolarHBondContact O-N 2.88Å; V522-S524 PolarHBondContact O-N 3.47Å; V522-S524 VanDerWaalsContact O-N 3.15Å
523G68.6Low84.2Confident33 Ų3342.4 Ų42.434%0.3424%0.241SC..SBendtrans63.219.5-173.700000113.9N520 I525 F526N520-G523 PolarHBondContact O-N 3.22Å; N520-G523 VanDerWaalsContact OD1-CA 3.22Å; N520-G523 WeakPolarHBondContact OD1-CA 3.35Å; G523-I525 VanDerWaalsContact C-N 3.32Å; G523-I525 PolarHBondContact O-N 2.95Å; G523-F526 VanDerWaalsContact CA-O 3.32Å; G523-F526 WeakPolarHBondContact CA-O 3.49Å; G523-F526 CarbonylContact O-C 3.58Å
524S73.9Confident84.4Confident49 Ų4942.3 Ų42.334%0.34324%0.241SC..SBendtrans-64.1-32.7-174.650.20000113.5N520 V522N520-S524 PolarHBondContact OD1-N 3.42Å; V522-S524 PolarHBondContact O-N 3.47Å; V522-S524 VanDerWaalsContact O-N 3.15Å
525I81.2Confident84.7Confident5 Ų541.7 Ų41.73%0.02624%0.238CC..SBendtrans-87.7-53174.7-53.7175000109.4V496 L499 H519 N520 G523V496-I525 HydrophobicContact CG1-CD1 4.43Å; V496-I525 HydrophobicContact CG1-CG1 4.09Å; V496-I525 HydrophobicContact CG1-CG2 4.38Å; V496-I525 HydrophobicContact CG2-CD1 3.81Å; V496-I525 HydrophobicContact CG2-CG1 4.3Å; V496-I525 HydrophobicContact CG2-CG2 4.23Å; L499-I525 CarbonylContact C-O 3.59Å; L499-I525 HydrophobicContact CB-CG2 3.83Å; L499-I525 HydrophobicContact CD1-CG2 4.06Å; H519-I525 VanDerWaalsContact C-CD1 3.47Å; H519-I525 HydrophobicContact CB-CD1 3.75Å; H519-I525 VanDerWaalsContact O-CD1 3.24Å; H519-I525 WeakPolarHBondContact O-CD1 3.39Å; N520-I525 HydrophobicContact CB-CB 4.3Å; N520-I525 HydrophobicContact CB-CD1 4.04Å; N520-I525 HydrophobicContact CB-CG1 4.27Å; N520-I525 PolarHBondContact OD1-N 3.28Å; G523-I525 VanDerWaalsContact C-N 3.32Å; G523-I525 PolarHBondContact O-N 2.95Å
526F84.9Confident85Confident0 Ų039.3 Ų39.30%023%0.227CC..  trans-148.2149.9177.562.6-95.4000114G447 I451 L499 L517 N520 G523 V531 F561G447-F526 VanDerWaalsContact CA-CB 3.41Å; I451-F526 HydrophobicContact CD1-CE2 4.07Å; I451-F526 HydrophobicContact CD1-CZ 4.01Å; L499-F526 HydrophobicContact CD1-CD1 4.47Å; L517-F526 HydrophobicContact CD2-CE1 4.29Å; L517-F526 HydrophobicContact CD2-CZ 3.6Å; N520-F526 PolarHBondContact ND2-O 3.3Å; N520-F526 PolarHBondContact OD1-N 3.3Å; G523-F526 VanDerWaalsContact CA-O 3.32Å; G523-F526 WeakPolarHBondContact CA-O 3.49Å; G523-F526 CarbonylContact O-C 3.58Å; F526-V531 HydrophobicContact CD2-CG2 4.42Å; F526-V531 HydrophobicContact CE2-CG2 4.39Å; F526-F561 HydrophobicContact CE2-CE1 4.15Å; F526-F561 AromaticContact CE2-CZ 4Å; F526-F561 HydrophobicContact CE2-CZ 4Å; F526-F561 HydrophobicContact CZ-CZ 4.44Å
527D87.8Confident85.3Confident72 Ų7239.4 Ų39.439%0.38523%0.227SC..  trans-76.6127.1168.7169.132.9000110.6Q529 A530D527-Q529 WeakPolarHBondContact OD1-CB 3.33Å; D527-Q529 PolarHBondContact OD1-N 2.88Å; D527-A530 HydrophobicContact CB-CB 4.34Å; D527-A530 PolarHBondContact OD2-N 3.49Å
528A87.1Confident85.6Confident22 Ų2239.7 Ų39.718%0.18223%0.229CC..SBendtrans-78.2-22177.500000113.4A530 V531 M560 F561A528-A530 VanDerWaalsContact C-N 3.27Å; A528-A530 PolarHBondContact O-N 3.05Å; A528-V531 PolarHBondContact O-N 3.06Å; A528-M560 VanDerWaalsContact CB-O 3.22Å; A528-M560 WeakPolarHBondContact CB-O 3.11Å; A528-F561 HydrophobicContact CB-CD1 3.91Å; A528-F561 HydrophobicContact CB-CE1 3.78Å
529Q88.1Confident86Confident85 Ų8535.3 Ų35.340%0.39721%0.205SC..THydrogen-bonded Turntrans-72.5-22.1175.4-63-63.6-46.300112.4D527 K532D527-Q529 WeakPolarHBondContact OD1-CB 3.33Å; D527-Q529 PolarHBondContact OD1-N 2.88Å; Q529-K532 PolarHBondContact O-NZ 2.96Å
530A89.9Confident86.4Confident9 Ų931.3 Ų31.37%0.07419%0.187CC..THydrogen-bonded Turntrans-72.1-26.7171.800000114.1D527 A528 K532D527-A530 HydrophobicContact CB-CB 4.34Å; D527-A530 PolarHBondContact OD2-N 3.49Å; A528-A530 VanDerWaalsContact C-N 3.27Å; A528-A530 PolarHBondContact O-N 3.05Å; A530-K532 WeakPolarHBondContact O-CG 3.23Å; A530-K532 PolarHBondContact O-N 2.78Å
531V93.5Very high87.1Confident1 Ų131 Ų311%0.00619%0.186CC..  trans-72.4112-179.3-177.90000109.4P448 T449 I451 F526 A528 C533 I534 F561P448-V531 HydrophobicContact CG-CG2 4.46Å; T449-V531 WeakPolarHBondContact O-CA 2.99Å; I451-V531 HydrophobicContact CD1-CG1 4.25Å; I451-V531 HydrophobicContact CD1-CG2 4.12Å; I451-V531 HydrophobicContact CG1-CG1 4.12Å; I451-V531 HydrophobicContact CG1-CG2 4.34Å; F526-V531 HydrophobicContact CD2-CG2 4.42Å; F526-V531 HydrophobicContact CE2-CG2 4.39Å; A528-V531 PolarHBondContact O-N 3.06Å; V531-C533 WeakPolarHBondContact CG1-O 3.16Å; V531-I534 HydrophobicContact CG1-CD1 4.38Å; V531-I534 HydrophobicContact CG1-CG1 3.88Å; V531-F561 HydrophobicContact CB-CD1 4.08Å; V531-F561 HydrophobicContact CB-CE1 3.9Å; V531-F561 HydrophobicContact CG1-CD1 4.35Å; V531-F561 HydrophobicContact CG1-CE1 4.18Å; V531-F561 HydrophobicContact CG2-CD1 4.48Å; V531-F561 HydrophobicContact CG2-CE1 3.81Å
532K94.1Very high88.3Confident89 Ų8926 Ų2639%0.38715%0.153SC..  trans-96.9-14.5-179.4-54-48.3179.7-170.50113.4T449 Q529 A530 C568 Q569T449-K532 HydrophobicContact CG2-CG 4.16Å; T449-K532 PolarHBondContact O-N 2.77Å; Q529-K532 PolarHBondContact O-NZ 2.96Å; A530-K532 WeakPolarHBondContact O-CG 3.23Å; A530-K532 PolarHBondContact O-N 2.78Å; K532-C568 WeakPolarHBondContact O-CA 3.38Å; K532-Q569 PolarHBondContact O-N 3.25Å
533C95.2Very high89.5Confident8 Ų820.8 Ų20.85%0.05412%0.122CC..EExtended strand (participates in β ladder)trans-148.4137.9-176.8179.40000111.4C450 I451 V531 Q569 L571C450-C533 CarbonylContact C-O 3.57Å; C450-C533 VanDerWaalsContact CA-O 3.29Å; C450-C533 WeakPolarHBondContact CA-O 3.24Å; C450-C533 HydrophobicContact CB-CB 4.06Å; C450-C533 VanDerWaalsContact SG-SG 3.64Å; I451-C533 PolarHBondContact N-O 3.32Å; V531-C533 WeakPolarHBondContact CG1-O 3.16Å; C533-Q569 CarbonylContact C-O 3.53Å; C533-Q569 WeakPolarHBondContact CA-O 3.48Å; C533-L571 WeakPolarHBondContact SG-CD1 3.48Å
534I96.9Very high90.1Very high1 Ų126.3 Ų26.31%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-125.4128.2167.1-61.9-179.5000108.3I451 V531 L536 L557 F561 L563 Q569 L570 L571I451-I534 HydrophobicContact CB-CG1 4.37Å; I451-I534 CarbonylContact O-C 3.54Å; I451-I534 VanDerWaalsContact O-CA 3.3Å; I451-I534 WeakPolarHBondContact O-CA 3.19Å; V531-I534 HydrophobicContact CG1-CD1 4.38Å; V531-I534 HydrophobicContact CG1-CG1 3.88Å; I534-L536 HydrophobicContact CG2-CD2 4.23Å; I534-L557 HydrophobicContact CD1-CD2 3.89Å; I534-F561 HydrophobicContact CD1-CB 4.22Å; I534-F561 HydrophobicContact CD1-CD1 4.06Å; I534-F561 HydrophobicContact CD1-CD2 3.42Å; I534-F561 VanDerWaalsContact CD1-CD2 3.42Å; I534-F561 HydrophobicContact CD1-CE1 4.29Å; I534-F561 HydrophobicContact CD1-CE2 3.7Å; I534-F561 HydrophobicContact CD1-CG 3.62Å; I534-F561 HydrophobicContact CD1-CZ 4.12Å; I534-L563 HydrophobicContact CD1-CD2 4.44Å; I534-Q569 PolarHBondContact N-O 3.05Å; I534-L570 HydrophobicContact CB-CD1 4.14Å; I534-L570 HydrophobicContact CG2-CD1 4.06Å; I534-L570 WeakPolarHBondContact O-CA 3.43Å; I534-L571 PolarHBondContact O-N 3.31Å
535A97.8Very high90.5Very high0 Ų027.1 Ų27.10%014%0.135CC..EExtended strand (participates in β ladder)trans-117.2128.5177.900000111.4Y426 I451 F452 V453 L571Y426-A535 HydrophobicContact CE2-CB 4.21Å; I451-A535 PolarHBondContact O-N 3.33Å; F452-A535 HydrophobicContact CD1-CB 4.41Å; F452-A535 HydrophobicContact CD2-CB 3.55Å; F452-A535 HydrophobicContact CE2-CB 3.71Å; F452-A535 HydrophobicContact CG-CB 3.93Å; F452-A535 HydrophobicContact CZ-CB 4.2Å; V453-A535 PolarHBondContact N-O 3.1Å; A535-L571 CarbonylContact C-O 3.52Å; A535-L571 WeakPolarHBondContact CA-O 3.37Å; A535-L571 HydrophobicContact CB-CB 4.18Å; A535-L571 HydrophobicContact CB-CD1 4.37Å
536L97.6Very high90.6Very high1 Ų128.6 Ų28.61%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-115.985.1176.4-54.2-179.4000108.9V453 I534 L539 M542 L554 L557 L570 L571 V572 S573V453-L536 HydrophobicContact CB-CD2 3.86Å; V453-L536 HydrophobicContact CG2-CD2 3.86Å; I534-L536 HydrophobicContact CG2-CD2 4.23Å; L536-L539 HydrophobicContact CD1-CD1 4.47Å; L536-M542 HydrophobicContact CB-CE 4.04Å; L536-L554 HydrophobicContact CD1-CD2 3.79Å; L536-L557 HydrophobicContact CD1-CD1 4.3Å; L536-L570 HydrophobicContact CD1-CD1 4.27Å; L536-L570 HydrophobicContact CG-CD1 4.3Å; L536-L571 PolarHBondContact N-O 2.99Å; L536-V572 HydrophobicContact CB-CG1 4.48Å; L536-V572 HydrophobicContact CB-CG2 4.41Å; L536-V572 HydrophobicContact CD1-CG2 4.38Å; L536-S573 PolarHBondContact O-N 3.28Å
537D96.2Very high90.5Very high2 Ų230.1 Ų30.11%0.01115%0.153CC..THydrogen-bonded Turntrans-82.3129.3-177.5-165.146.7000111.6T423 Y426 F452 V453 P455 M542 S573T423-D537 WeakPolarHBondContact CG2-OD2 3.4Å; T423-D537 PolarHBondContact OG1-OD1 3.14Å; T423-D537 PolarHBondContact OG1-OD2 3.38Å; Y426-D537 PolarHBondContact OH-OD1 3.18Å; F452-D537 HydrophobicContact CE1-CB 3.7Å; F452-D537 HydrophobicContact CZ-CB 4.03Å; V453-D537 PolarHBondContact O-N 3.46Å; P455-D537 WeakPolarHBondContact CD-O 3.43Å; D537-M542 WeakPolarHBondContact O-CE 3.38Å; D537-S573 VanDerWaalsContact OD1-CB 3.31Å; D537-S573 WeakPolarHBondContact OD1-CB 3.44Å; D537-S573 PolarHBondContact OD1-OG 3.31Å
538N93.4Very high90.3Very high13 Ų1328.6 Ų28.67%0.0714%0.144CC..THydrogen-bonded Turntrans54.851.7-175-55-61.8000113.6K422 P455 Q459 N540 D541 M542 S573K422-N538 WeakPolarHBondContact CE-OD1 3.33Å; P455-N538 HydrophobicContact CG-CB 3.92Å; Q459-N538 PolarHBondContact OE1-ND2 2.74Å; Q459-N538 VanDerWaalsContact OE1-ND2 3.14Å; N538-N540 PolarHBondContact O-N 3.44Å; N538-N540 VanDerWaalsContact O-N 3.08Å; N538-D541 HydrophobicContact CB-CB 4.2Å; N538-D541 WeakPolarHBondContact O-CA 3.18Å; N538-D541 WeakPolarHBondContact O-CB 3.42Å; N538-D541 PolarHBondContact O-N 3.45Å; N538-M542 PolarHBondContact O-N 2.73Å; N538-S573 CarbonylContact C-O 3.56Å; N538-S573 VanDerWaalsContact CA-O 3.23Å; N538-S573 WeakPolarHBondContact CA-O 3.49Å; N538-S573 PolarHBondContact N-O 3.42Å; N538-S573 VanDerWaalsContact N-O 3.09Å; N538-S573 PolarHBondContact N-OG 2.94Å
539L94.7Very high90.4Very high1 Ų129.4 Ų29.41%0.00515%0.146CC..Hα-helixtrans-48.2-37.2178.7178.865.2000114L536 D541 M542 V543 T550 V572 S573 L581 M582 I586L536-L539 HydrophobicContact CD1-CD1 4.47Å; L539-D541 VanDerWaalsContact C-N 3.3Å; L539-D541 PolarHBondContact O-N 2.99Å; L539-M542 HydrophobicContact CD1-SD 4.11Å; L539-M542 WeakPolarHBondContact O-CB 3.41Å; L539-M542 PolarHBondContact O-N 3.33Å; L539-M542 VanDerWaalsContact O-N 3.15Å; L539-V543 HydrophobicContact CD1-CG2 4.35Å; L539-V543 WeakPolarHBondContact O-CG2 3.36Å; L539-V543 PolarHBondContact O-N 2.9Å; L539-T550 HydrophobicContact CD1-CG2 3.86Å; L539-V572 HydrophobicContact CB-CG1 4.09Å; L539-V572 HydrophobicContact CD2-CG1 3.81Å; L539-S573 PolarHBondContact N-O 3.18Å; L539-L581 HydrophobicContact CD2-CD2 3.98Å; L539-L581 HydrophobicContact CD2-CG 4.39Å; L539-L581 HydrophobicContact CG-CD2 4.17Å; L539-M582 HydrophobicContact CD2-CE 4.38Å; L539-I586 HydrophobicContact CD2-CD1 3.52Å; L539-I586 HydrophobicContact CD2-CG1 3.7Å
540N90.5Very high90.5Very high18 Ų1825.4 Ų25.410%0.09613%0.127CC..Hα-helixtrans-65.3-31.4176.4-52.1103000113.2N538 R544 G574 R575 I576N538-N540 PolarHBondContact O-N 3.44Å; N538-N540 VanDerWaalsContact O-N 3.08Å; N540-R544 PolarHBondContact O-N 3.48Å; N540-R544 VanDerWaalsContact O-N 3.1Å; N540-G574 WeakPolarHBondContact OD1-CA 3.44Å; N540-R575 PolarHBondContact OD1-N 3.2Å; N540-I576 PolarHBondContact ND2-O 2.78Å; N540-I576 PolarHBondContact OD1-N 3.38Å; N540-I576 PolarHBondContact OD1-O 2.87Å
541D88.9Confident90.6Very high1 Ų127.3 Ų27.31%0.00514%0.135CC..Hα-helixtrans-72.1-35.8173.4-72.3-39.3000110.2P455 N538 L539 R544 V545 R575P455-D541 HydrophobicContact CB-CB 3.75Å; P455-D541 HydrophobicContact CG-CB 3.53Å; N538-D541 HydrophobicContact CB-CB 4.2Å; N538-D541 WeakPolarHBondContact O-CA 3.18Å; N538-D541 WeakPolarHBondContact O-CB 3.42Å; N538-D541 PolarHBondContact O-N 3.45Å; L539-D541 VanDerWaalsContact C-N 3.3Å; L539-D541 PolarHBondContact O-N 2.99Å; D541-R544 PolarHBondContact O-N 2.92Å; D541-R544 IonicContact OD1-CZ 3.8Å; D541-R544 IonicContact OD1-NH1 3.51Å; D541-R544 PolarHBondContact OD1-NH1 2.92Å; D541-R544 IonicContact OD1-NH2 2.74Å; D541-R544 PolarHBondContact OD1-NH2 3.47Å; D541-V545 WeakPolarHBondContact O-CG2 3.31Å; D541-V545 PolarHBondContact O-N 3.27Å; D541-V545 VanDerWaalsContact O-N 3.15Å; D541-R575 IonicContact OD1-CZ 3.6Å; D541-R575 IonicContact OD1-NE 2.72Å; D541-R575 PolarHBondContact OD1-NE 2.88Å; D541-R575 IonicContact OD1-NH2 3.56Å; D541-R575 PolarHBondContact OD1-NH2 3.09Å; D541-R575 IonicContact OD2-CZ 3.66Å; D541-R575 VanDerWaalsContact OD2-CZ 3.23Å; D541-R575 IonicContact OD2-NE 3.84Å; D541-R575 PolarHBondContact OD2-NE 3.14Å; D541-R575 IonicContact OD2-NH2 2.71Å; D541-R575 PolarHBondContact OD2-NH2 2.92Å
542M90.9Very high90.4Very high3 Ų331.9 Ų31.92%0.01516%0.155CC..Hα-helixtrans-60.4-51.7172.2-53.5-177-166.800111.3V453 P455 V510 L536 D537 N538 L539 R544 V545 L546 T550V453-M542 HydrophobicContact CB-CE 4.06Å; V453-M542 HydrophobicContact CG1-CE 3.93Å; V453-M542 HydrophobicContact CG1-SD 4.04Å; V453-M542 VanDerWaalsContact O-CE 3.23Å; V453-M542 WeakPolarHBondContact O-CE 3.5Å; P455-M542 HydrophobicContact CB-CG 4.23Å; P455-M542 HydrophobicContact CG-CG 4.06Å; V510-M542 HydrophobicContact CG2-CB 4.04Å; V510-M542 HydrophobicContact CG2-CG 4.08Å; V510-M542 HydrophobicContact CG2-SD 3.6Å; L536-M542 HydrophobicContact CB-CE 4.04Å; D537-M542 WeakPolarHBondContact O-CE 3.38Å; N538-M542 PolarHBondContact O-N 2.73Å; L539-M542 HydrophobicContact CD1-SD 4.11Å; L539-M542 WeakPolarHBondContact O-CB 3.41Å; L539-M542 PolarHBondContact O-N 3.33Å; L539-M542 VanDerWaalsContact O-N 3.15Å; M542-R544 PolarHBondContact O-N 2.91Å; M542-V545 PolarHBondContact O-N 3.11Å; M542-V545 VanDerWaalsContact O-N 3.14Å; M542-L546 CarbonylContact O-C 3.46Å; M542-L546 PolarHBondContact O-N 2.72Å; M542-T550 HydrophobicContact CB-CG2 4.09Å; M542-T550 PolarHBondContact O-OG1 3.15Å
543V88.1Confident90.4Very high24 Ų2427.7 Ų27.715%0.14514%0.137CC..Hα-helixtrans-64.8-24.3179.6175.60000112.4L539 P547 T550 L581L539-V543 HydrophobicContact CD1-CG2 4.35Å; L539-V543 WeakPolarHBondContact O-CG2 3.36Å; L539-V543 PolarHBondContact O-N 2.9Å; V543-P547 WeakPolarHBondContact O-CA 3.28Å; V543-P547 VanDerWaalsContact O-CB 3.25Å; V543-P547 WeakPolarHBondContact O-CB 3.48Å; V543-P547 WeakPolarHBondContact O-CD 3.28Å; V543-T550 HydrophobicContact CG2-CG2 3.59Å; V543-L581 HydrophobicContact CG2-CD1 4.34Å; V543-L581 HydrophobicContact CG2-CD2 3.86Å
544R81.6Confident90.3Very high148 Ų14827.6 Ų27.656%0.55814%0.136SC*.Hα-helixtrans-75.1-38.7172.4-173.4-179.764-103.4-6.6112.9N540 D541 M542N540-R544 PolarHBondContact O-N 3.48Å; N540-R544 VanDerWaalsContact O-N 3.1Å; D541-R544 PolarHBondContact O-N 2.92Å; D541-R544 IonicContact OD1-CZ 3.8Å; D541-R544 IonicContact OD1-NH1 3.51Å; D541-R544 PolarHBondContact OD1-NH1 2.92Å; D541-R544 IonicContact OD1-NH2 2.74Å; D541-R544 PolarHBondContact OD1-NH2 3.47Å; M542-R544 PolarHBondContact O-N 2.91Å
545V81.4Confident90.1Very high66 Ų6632.9 Ų32.940%0.416%0.16SC..Hα-helixtrans-89.4-36.8-172.8-179.10000112D541 M542D541-V545 WeakPolarHBondContact O-CG2 3.31Å; D541-V545 PolarHBondContact O-N 3.27Å; D541-V545 VanDerWaalsContact O-N 3.15Å; M542-V545 PolarHBondContact O-N 3.11Å; M542-V545 VanDerWaalsContact O-N 3.14Å
546L84Confident89.7Confident36 Ų3637.1 Ų37.119%0.18818%0.176CC..  trans-137.662.5-178.6-65.5173.8000110.6V510 D511 M542 N548 D549 T550 D967V510-L546 HydrophobicContact CB-CD1 4.32Å; D511-L546 HydrophobicContact CB-CD1 3.92Å; M542-L546 CarbonylContact O-C 3.46Å; M542-L546 PolarHBondContact O-N 2.72Å; L546-N548 PolarHBondContact O-N 3.31Å; L546-D549 HydrophobicContact CB-CB 4.43Å; L546-D549 PolarHBondContact O-N 3.26Å; L546-T550 VanDerWaalsContact O-CB 3.29Å; L546-T550 WeakPolarHBondContact O-CB 3.13Å; L546-T550 PolarHBondContact O-N 3.08Å; L546-T550 PolarHBondContact O-OG1 3.18Å; L546-D967 HydrophobicContact CD2-CB 4.35Å
547P83.8Confident89.4Confident33 Ų3337.1 Ų37.121%0.21418%0.176CC..Hα-helixtrans-53.6-51-178.115.6-27.6000112.7V543 D549 T550 M551 D967V543-P547 WeakPolarHBondContact O-CA 3.28Å; V543-P547 VanDerWaalsContact O-CB 3.25Å; V543-P547 WeakPolarHBondContact O-CB 3.48Å; V543-P547 WeakPolarHBondContact O-CD 3.28Å; P547-D549 PolarHBondContact O-N 2.89Å; P547-T550 PolarHBondContact O-N 3.08Å; P547-M551 WeakPolarHBondContact O-CG 3.47Å; P547-M551 PolarHBondContact O-N 3.23Å; P547-D967 WeakPolarHBondContact CD-OD1 3.33Å; P547-D967 WeakPolarHBondContact CD-OD2 3.08Å; P547-D967 WeakPolarHBondContact CG-OD1 3.47Å; P547-D967 WeakPolarHBondContact CG-OD2 3.42Å
548N82.9Confident89.1Confident39 Ų3940.4 Ų40.421%0.20920%0.197CC..Hα-helixtrans-63.5-44.6-174.7-73.4-83.3000112.6L546 M551 K552 D967L546-N548 PolarHBondContact O-N 3.31Å; N548-M551 PolarHBondContact O-N 3.23Å; N548-K552 WeakPolarHBondContact O-CG 3.5Å; N548-K552 PolarHBondContact O-N 3.13Å; N548-K552 VanDerWaalsContact O-N 3.16Å; N548-D967 PolarHBondContact N-OD2 3.37Å; N548-D967 PolarHBondContact ND2-OD2 3.05Å
549D88.3Confident88.9Confident40 Ų4045.7 Ų45.721%0.21422%0.222CC..Hα-helixtrans-76.7-29.6-178.8-72.1-17.3000111.9V510 L514 L546 P547 K552 L553V510-D549 VanDerWaalsContact CG1-C 3.49Å; V510-D549 HydrophobicContact CG1-CB 4.15Å; V510-D549 WeakPolarHBondContact CG1-O 3.39Å; L514-D549 HydrophobicContact CD1-CB 3.79Å; L514-D549 WeakPolarHBondContact CD1-O 3.47Å; L546-D549 HydrophobicContact CB-CB 4.43Å; L546-D549 PolarHBondContact O-N 3.26Å; P547-D549 PolarHBondContact O-N 2.89Å; D549-K552 PolarHBondContact O-N 3.38Å; D549-K552 WeakPolarHBondContact OD1-CE 3.26Å; D549-K552 IonicContact OD1-NZ 2.77Å; D549-K552 PolarHBondContact OD1-NZ 2.94Å; D549-L553 WeakPolarHBondContact O-CB 3.41Å; D549-L553 PolarHBondContact O-N 3.45Å
550T91.4Very high88.4Confident1 Ų147.8 Ų47.81%0.00623%0.232CC..Hα-helixtrans-65.4-41.5171.5-51.90000110.9L539 M542 V543 L546 P547 L553 L554L539-T550 HydrophobicContact CD1-CG2 3.86Å; M542-T550 HydrophobicContact CB-CG2 4.09Å; M542-T550 PolarHBondContact O-OG1 3.15Å; V543-T550 HydrophobicContact CG2-CG2 3.59Å; L546-T550 VanDerWaalsContact O-CB 3.29Å; L546-T550 WeakPolarHBondContact O-CB 3.13Å; L546-T550 PolarHBondContact O-N 3.08Å; L546-T550 PolarHBondContact O-OG1 3.18Å; P547-T550 PolarHBondContact O-N 3.08Å; T550-L553 PolarHBondContact O-N 2.86Å; T550-L554 WeakPolarHBondContact O-CG 3.44Å; T550-L554 PolarHBondContact O-N 3.4Å
551M90.5Very high88.4Confident49 Ų4947.3 Ų47.324%0.24123%0.229CC..Hα-helixtrans-64.7-42.1176.3-65-43.4-57.200112.6P547 N548 L553 L554 Q555 L581 H585P547-M551 WeakPolarHBondContact O-CG 3.47Å; P547-M551 PolarHBondContact O-N 3.23Å; N548-M551 PolarHBondContact O-N 3.23Å; M551-L553 VanDerWaalsContact C-N 3.34Å; M551-L553 PolarHBondContact O-N 2.95Å; M551-L554 HydrophobicContact CE-CD1 4.45Å; M551-L554 PolarHBondContact O-N 3Å; M551-L554 HydrophobicContact SD-CD1 4.43Å; M551-Q555 WeakPolarHBondContact O-CG 3.42Å; M551-Q555 PolarHBondContact O-N 2.93Å; M551-Q555 VanDerWaalsContact O-N 3.07Å; M551-L581 HydrophobicContact CE-CD1 4.25Å; M551-L581 HydrophobicContact SD-CD1 3.84Å; M551-H585 HydrophobicContact CE-CB 4.27Å; M551-H585 WeakPolarHBondContact CE-CD2 3.49Å; M551-H585 WeakPolarHBondContact CE-NE2 3.47Å
552K91.2Very high88.4Confident96 Ų9651.4 Ų51.442%0.41725%0.248SC..Hα-helixtrans-59.5-43.4173.1-67.9168.1-157.2162.90111.7L514 N548 D549 Q555 R556L514-K552 HydrophobicContact CD1-CB 4.01Å; L514-K552 HydrophobicContact CD1-CD 4.46Å; L514-K552 HydrophobicContact CD2-CB 4.46Å; N548-K552 WeakPolarHBondContact O-CG 3.5Å; N548-K552 PolarHBondContact O-N 3.13Å; N548-K552 VanDerWaalsContact O-N 3.16Å; D549-K552 PolarHBondContact O-N 3.38Å; D549-K552 WeakPolarHBondContact OD1-CE 3.26Å; D549-K552 IonicContact OD1-NZ 2.77Å; D549-K552 PolarHBondContact OD1-NZ 2.94Å; K552-Q555 PolarHBondContact O-N 2.76Å; K552-R556 VanDerWaalsContact O-CG 3.3Å; K552-R556 WeakPolarHBondContact O-CG 3.35Å; K552-R556 PolarHBondContact O-N 3.12Å
553L93.3Very high88.2Confident2 Ų252 Ų521%0.0125%0.252CS..Hα-helixtrans-60.2-47.8177.8178.160.9000111V510 L513 L514 L517 D549 T550 M551 Q555 R556 L557V510-L553 HydrophobicContact CB-CD2 4.35Å; V510-L553 HydrophobicContact CG1-CB 4.21Å; V510-L553 HydrophobicContact CG1-CD2 4.02Å; V510-L553 HydrophobicContact CG2-CD2 4.16Å; L513-L553 HydrophobicContact CD2-CD1 3.74Å; L513-L553 HydrophobicContact CD2-CD2 4.06Å; L513-L553 HydrophobicContact CG-CD1 4.09Å; L514-L553 HydrophobicContact CD2-CB 4.11Å; L514-L553 HydrophobicContact CD2-CD1 4.24Å; L514-L553 HydrophobicContact CG-CB 4.24Å; L517-L553 HydrophobicContact CD1-CD1 3.85Å; D549-L553 WeakPolarHBondContact O-CB 3.41Å; D549-L553 PolarHBondContact O-N 3.45Å; T550-L553 PolarHBondContact O-N 2.86Å; M551-L553 VanDerWaalsContact C-N 3.34Å; M551-L553 PolarHBondContact O-N 2.95Å; L553-Q555 VanDerWaalsContact C-N 3.27Å; L553-Q555 PolarHBondContact O-N 2.84Å; L553-R556 PolarHBondContact O-N 3Å; L553-R556 VanDerWaalsContact O-N 3.08Å; L553-L557 HydrophobicContact CD1-CD2 4.19Å; L553-L557 HydrophobicContact CD1-CG 4.45Å; L553-L557 WeakPolarHBondContact O-CG 3.33Å; L553-L557 PolarHBondContact O-N 2.85Å
554L93.5Very high87.8Confident6 Ų654.1 Ų54.13%0.03126%0.264CS..Hα-helixtrans-62-32.6178.7-66.3179000113.2L536 T550 M551 L557 P558 L581 H585 I586L536-L554 HydrophobicContact CD1-CD2 3.79Å; T550-L554 WeakPolarHBondContact O-CG 3.44Å; T550-L554 PolarHBondContact O-N 3.4Å; M551-L554 HydrophobicContact CE-CD1 4.45Å; M551-L554 PolarHBondContact O-N 3Å; M551-L554 HydrophobicContact SD-CD1 4.43Å; L554-L557 HydrophobicContact CD2-CD1 4.16Å; L554-P558 VanDerWaalsContact O-CD 3.26Å; L554-P558 WeakPolarHBondContact O-CD 3.32Å; L554-L581 HydrophobicContact CD1-CD1 3.68Å; L554-H585 HydrophobicContact CD1-CB 4.18Å; L554-I586 HydrophobicContact CD1-CD1 3.77Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.29Å
555Q91.8Very high87.3Confident111 Ų11150.2 Ų50.252%0.51925%0.252SS..Hα-helixtrans-69.2-40.7171.9-70.5168.2-2500112.2M551 K552 L553 P558M551-Q555 WeakPolarHBondContact O-CG 3.42Å; M551-Q555 PolarHBondContact O-N 2.93Å; M551-Q555 VanDerWaalsContact O-N 3.07Å; K552-Q555 PolarHBondContact O-N 2.76Å; L553-Q555 VanDerWaalsContact C-N 3.27Å; L553-Q555 PolarHBondContact O-N 2.84Å; Q555-P558 WeakPolarHBondContact O-CD 3.31Å; Q555-P558 WeakPolarHBondContact O-CG 3.17Å
556R90.3Very high87Confident90 Ų9053.5 Ų53.534%0.3427%0.268SS..Hα-helixtrans-70.3-30178.9-71.8-64.6-138.6172.17.2114.4L514 L517 N518 K552 L553 E559 M560L514-R556 HydrophobicContact CD2-CG 4.35Å; L517-R556 HydrophobicContact CD1-CB 4.44Å; N518-R556 PolarHBondContact OD1-NH2 3.04Å; K552-R556 VanDerWaalsContact O-CG 3.3Å; K552-R556 WeakPolarHBondContact O-CG 3.35Å; K552-R556 PolarHBondContact O-N 3.12Å; L553-R556 PolarHBondContact O-N 3Å; L553-R556 VanDerWaalsContact O-N 3.08Å; R556-E559 WeakPolarHBondContact CD-OE2 3.05Å; R556-E559 IonicContact CZ-OE2 3.29Å; R556-E559 IonicContact NE-OE2 2.66Å; R556-E559 IonicContact NH1-OE2 3.04Å; R556-E559 PolarHBondContact NH1-OE2 3.09Å; R556-E559 WeakPolarHBondContact O-CB 3.4Å; R556-E559 PolarHBondContact O-N 3.36Å; R556-E559 VanDerWaalsContact O-N 3.15Å; R556-M560 PolarHBondContact O-N 3.25Å
557L91.1Very high87.1Confident1 Ų156.4 Ų56.41%0.00528%0.279CS..Hα-helixtrans-54.3-52.2-177.1-74-176000113.9I534 L536 L553 L554 E559 M560 F561 L563I534-L557 HydrophobicContact CD1-CD2 3.89Å; L536-L557 HydrophobicContact CD1-CD1 4.3Å; L553-L557 HydrophobicContact CD1-CD2 4.19Å; L553-L557 HydrophobicContact CD1-CG 4.45Å; L553-L557 WeakPolarHBondContact O-CG 3.33Å; L553-L557 PolarHBondContact O-N 2.85Å; L554-L557 HydrophobicContact CD2-CD1 4.16Å; L557-E559 VanDerWaalsContact C-N 3.31Å; L557-E559 PolarHBondContact O-N 3.18Å; L557-M560 PolarHBondContact O-N 3.27Å; L557-F561 HydrophobicContact CD2-CD2 3.88Å; L557-F561 HydrophobicContact CD2-CE2 3.89Å; L557-F561 WeakPolarHBondContact O-CD2 3.46Å; L557-F561 PolarHBondContact O-N 2.96Å; L557-L563 HydrophobicContact CB-CD1 4.18Å
558P90.1Very high87.5Confident70 Ų7055 Ų5546%0.45527%0.27SS..Hα-helixtrans-69.8-19.8176.927.5-36.5000114.7L554 Q555 M560 L589L554-P558 VanDerWaalsContact O-CD 3.26Å; L554-P558 WeakPolarHBondContact O-CD 3.32Å; Q555-P558 WeakPolarHBondContact O-CD 3.31Å; Q555-P558 WeakPolarHBondContact O-CG 3.17Å; P558-M560 VanDerWaalsContact C-N 3.27Å; P558-M560 PolarHBondContact O-N 3.46Å; P558-L589 HydrophobicContact CB-CD2 3.92Å; P558-L589 HydrophobicContact CG-CD2 3.9Å
559E88.8Confident88Confident124 Ų12453.7 Ų53.758%0.57926%0.262SS*.Hα-helixtrans-67.2-31.5172.8-60175.4-172.700111.6R556 L557R556-E559 WeakPolarHBondContact CD-OE2 3.05Å; R556-E559 IonicContact CZ-OE2 3.29Å; R556-E559 IonicContact NE-OE2 2.66Å; R556-E559 IonicContact NH1-OE2 3.04Å; R556-E559 PolarHBondContact NH1-OE2 3.09Å; R556-E559 WeakPolarHBondContact O-CB 3.4Å; R556-E559 PolarHBondContact O-N 3.36Å; R556-E559 VanDerWaalsContact O-N 3.15Å; L557-E559 VanDerWaalsContact C-N 3.31Å; L557-E559 PolarHBondContact O-N 3.18Å
560M84.7Confident88.4Confident45 Ų4551.8 Ų51.822%0.22225%0.252CS..Hα-helixtrans-109.1-30.7-169.3-59.5-172.474.100113.8L517 A528 R556 L557 P558L517-M560 HydrophobicContact CB-SD 4.1Å; L517-M560 HydrophobicContact CD1-SD 4Å; L517-M560 HydrophobicContact CD2-CE 3.88Å; L517-M560 HydrophobicContact CD2-SD 3.8Å; L517-M560 HydrophobicContact CG-SD 4.16Å; A528-M560 VanDerWaalsContact CB-O 3.22Å; A528-M560 WeakPolarHBondContact CB-O 3.11Å; R556-M560 PolarHBondContact O-N 3.25Å; L557-M560 PolarHBondContact O-N 3.27Å; P558-M560 VanDerWaalsContact C-N 3.27Å; P558-M560 PolarHBondContact O-N 3.46Å
561F89.6Confident88.7Confident8 Ų851.7 Ų51.74%0.03525%0.252CS..  trans-122.1136.4-170.1-54.9-73.5000112.9I451 F526 A528 V531 I534 L557 L563I451-F561 HydrophobicContact CD1-CE1 4.27Å; I451-F561 HydrophobicContact CD1-CZ 3.8Å; F526-F561 HydrophobicContact CE2-CE1 4.15Å; F526-F561 AromaticContact CE2-CZ 4Å; F526-F561 HydrophobicContact CE2-CZ 4Å; F526-F561 HydrophobicContact CZ-CZ 4.44Å; A528-F561 HydrophobicContact CB-CD1 3.91Å; A528-F561 HydrophobicContact CB-CE1 3.78Å; V531-F561 HydrophobicContact CB-CD1 4.08Å; V531-F561 HydrophobicContact CB-CE1 3.9Å; V531-F561 HydrophobicContact CG1-CD1 4.35Å; V531-F561 HydrophobicContact CG1-CE1 4.18Å; V531-F561 HydrophobicContact CG2-CD1 4.48Å; V531-F561 HydrophobicContact CG2-CE1 3.81Å; I534-F561 HydrophobicContact CD1-CB 4.22Å; I534-F561 HydrophobicContact CD1-CD1 4.06Å; I534-F561 HydrophobicContact CD1-CD2 3.42Å; I534-F561 VanDerWaalsContact CD1-CD2 3.42Å; I534-F561 HydrophobicContact CD1-CE1 4.29Å; I534-F561 HydrophobicContact CD1-CE2 3.7Å; I534-F561 HydrophobicContact CD1-CG 3.62Å; I534-F561 HydrophobicContact CD1-CZ 4.12Å; L557-F561 HydrophobicContact CD2-CD2 3.88Å; L557-F561 HydrophobicContact CD2-CE2 3.89Å; L557-F561 WeakPolarHBondContact O-CD2 3.46Å; L557-F561 PolarHBondContact O-N 2.96Å; F561-L563 HydrophobicContact CB-CD2 3.91Å; F561-L563 HydrophobicContact CB-CG 4.17Å; F561-L563 PolarHBondContact O-N 3.49Å
562Q88.7Confident89Confident88 Ų8849.4 Ų49.441%0.41124%0.24SC..  trans-79.382.8174.3-70.2177.98.700110.1T564 K567 C568Q562-T564 PolarHBondContact O-N 3.41Å; Q562-K567 HydrophobicContact CB-CB 3.99Å; Q562-K567 HydrophobicContact CB-CG 4.32Å; Q562-K567 WeakPolarHBondContact O-CB 3.41Å; Q562-C568 WeakPolarHBondContact O-CB 3.44Å; Q562-C568 PolarHBondContact O-N 2.84Å; Q562-C568 VanDerWaalsContact O-N 3.11Å
563L87.8Confident89.2Confident16 Ų1644.8 Ų44.88%0.08422%0.221CC..  trans-76.865.6-175.4-59.3177.3000112.6I534 L557 F561 C568 L570 L589I534-L563 HydrophobicContact CD1-CD2 4.44Å; L557-L563 HydrophobicContact CB-CD1 4.18Å; F561-L563 HydrophobicContact CB-CD2 3.91Å; F561-L563 HydrophobicContact CB-CG 4.17Å; F561-L563 PolarHBondContact O-N 3.49Å; L563-C568 HydrophobicContact CD2-CB 4.06Å; L563-L570 HydrophobicContact CD1-CD2 4.43Å; L563-L589 HydrophobicContact CD1-CB 3.89Å; L563-L589 HydrophobicContact CD1-CD1 4.11Å; L563-L589 HydrophobicContact CD1-CD2 4.23Å; L563-L589 HydrophobicContact CD1-CG 4.3Å
564T79.7Confident89.3Confident67 Ų6744.7 Ų44.741%0.41122%0.22SC..SBendtrans-133.4161.4178.858.20000111.4Q562 N566 K567 C568Q562-T564 PolarHBondContact O-N 3.41Å; T564-N566 PolarHBondContact O-N 2.89Å; T564-K567 PolarHBondContact O-N 2.94Å; T564-K567 VanDerWaalsContact O-N 3.09Å; T564-K567 WeakPolarHBondContact OG1-CB 3.47Å; T564-K567 WeakPolarHBondContact OG1-CG 3.4Å; T564-C568 PolarHBondContact O-N 3.34Å
565Q71.3Confident89.2Confident66 Ų6647.9 Ų47.931%0.30823%0.231SC..THydrogen-bonded Turntrans-54.9138.3177.1-162-169.4-35.400110.5K410 K567K410-Q565 HydrophobicContact CG-CG 4.28Å; Q565-K567 PolarHBondContact O-N 2.89Å
566N74.6Confident89.2Confident136 Ų13644.2 Ų44.273%0.72722%0.215SC*.THydrogen-bonded Turntrans64.67.4-177.3-47.5-26.9000115.6T564T564-N566 PolarHBondContact O-N 2.89Å
567K86.3Confident89.3Confident97 Ų9740 Ų4042%0.42220%0.199SC..THydrogen-bonded Turntrans-111-77.4173.6-71.9-68.5-166.8146.40111.6Q562 T564 Q565Q562-K567 HydrophobicContact CB-CB 3.99Å; Q562-K567 HydrophobicContact CB-CG 4.32Å; Q562-K567 WeakPolarHBondContact O-CB 3.41Å; T564-K567 PolarHBondContact O-N 2.94Å; T564-K567 VanDerWaalsContact O-N 3.09Å; T564-K567 WeakPolarHBondContact OG1-CB 3.47Å; T564-K567 WeakPolarHBondContact OG1-CG 3.4Å; Q565-K567 PolarHBondContact O-N 2.89Å
568C91.9Very high89.2Confident3 Ų340.6 Ų40.62%0.0220%0.202CC..  trans-134.7113.4173.4-178.80000109.9K532 Q562 L563 T564K532-C568 WeakPolarHBondContact O-CA 3.38Å; Q562-C568 WeakPolarHBondContact O-CB 3.44Å; Q562-C568 PolarHBondContact O-N 2.84Å; Q562-C568 VanDerWaalsContact O-N 3.11Å; L563-C568 HydrophobicContact CD2-CB 4.06Å; T564-C568 PolarHBondContact O-N 3.34Å
569Q93.4Very high89.1Confident11 Ų1138.3 Ų38.35%0.05119%0.187CC..EExtended strand (participates in β ladder)trans-72.7136.5176.8-171.8174.913.800110.1V406 G409 K410 K532 C533 I534 L571V406-Q569 PolarHBondContact O-NE2 2.63Å; G409-Q569 VanDerWaalsContact C-CD 3.47Å; G409-Q569 VanDerWaalsContact C-NE2 3.27Å; K410-Q569 PolarHBondContact O-NE2 2.95Å; K532-Q569 PolarHBondContact O-N 3.25Å; C533-Q569 CarbonylContact C-O 3.53Å; C533-Q569 WeakPolarHBondContact CA-O 3.48Å; I534-Q569 PolarHBondContact N-O 3.05Å; Q569-L571 HydrophobicContact CG-CD2 3.93Å; Q569-L571 HydrophobicContact CG-CG 4.36Å
570L96.1Very high88.9Confident0 Ų034.2 Ų34.20%017%0.169CC..EExtended strand (participates in β ladder)trans-109.7127173.4-177.356.1000109.9S411 V412 I534 L536 L563 V572 L589 M590S411-L570 WeakPolarHBondContact CA-O 3.4Å; S411-L570 WeakPolarHBondContact CB-O 3.39Å; S411-L570 PolarHBondContact OG-N 3.03Å; S411-L570 VanDerWaalsContact OG-N 3.17Å; S411-L570 PolarHBondContact OG-O 3.45Å; V412-L570 PolarHBondContact N-O 3.28Å; I534-L570 HydrophobicContact CB-CD1 4.14Å; I534-L570 HydrophobicContact CG2-CD1 4.06Å; I534-L570 WeakPolarHBondContact O-CA 3.43Å; L536-L570 HydrophobicContact CD1-CD1 4.27Å; L536-L570 HydrophobicContact CG-CD1 4.3Å; L563-L570 HydrophobicContact CD1-CD2 4.43Å; L570-V572 HydrophobicContact CD1-CG2 4.21Å; L570-V572 HydrophobicContact CD2-CG2 4.46Å; L570-V572 HydrophobicContact CG-CG2 3.98Å; L570-L589 HydrophobicContact CD2-CB 3.71Å; L570-L589 HydrophobicContact CD2-CD1 4.28Å; L570-M590 HydrophobicContact CB-CG 4.23Å; L570-M590 HydrophobicContact CD2-CG 3.73Å; L570-M590 HydrophobicContact CD2-SD 4.26Å; L570-M590 HydrophobicContact CG-CE 4.34Å; L570-M590 HydrophobicContact CG-CG 4.16Å; L570-M590 HydrophobicContact CG-SD 4.43Å; L570-M590 WeakPolarHBondContact O-CE 3.4Å
571L97.2Very high89.1Confident0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-119.9125.3-179.3-53171.1000108.1V406 V412 Y426 V430 C533 I534 A535 L536 Q569V406-L571 HydrophobicContact CG1-CD2 4.03Å; V406-L571 HydrophobicContact CG2-CD2 4.17Å; V412-L571 HydrophobicContact CG1-CD2 3.76Å; Y426-L571 HydrophobicContact CD1-CB 4.31Å; Y426-L571 HydrophobicContact CD2-CB 4.28Å; Y426-L571 HydrophobicContact CD2-CD1 3.79Å; Y426-L571 HydrophobicContact CE1-CB 4.44Å; Y426-L571 HydrophobicContact CE2-CB 4.42Å; Y426-L571 HydrophobicContact CG-CB 4.22Å; Y426-L571 HydrophobicContact CG-CD1 3.92Å; Y426-L571 HydrophobicContact CG-CD2 4.5Å; Y426-L571 HydrophobicContact CG-CG 4.46Å; V430-L571 HydrophobicContact CG2-CD1 3.29Å; C533-L571 WeakPolarHBondContact SG-CD1 3.48Å; I534-L571 PolarHBondContact O-N 3.31Å; A535-L571 CarbonylContact C-O 3.52Å; A535-L571 WeakPolarHBondContact CA-O 3.37Å; A535-L571 HydrophobicContact CB-CB 4.18Å; A535-L571 HydrophobicContact CB-CD1 4.37Å; L536-L571 PolarHBondContact N-O 2.99Å; Q569-L571 HydrophobicContact CG-CD2 3.93Å; Q569-L571 HydrophobicContact CG-CG 4.36Å
572V97.3Very high89.2Confident0 Ų032 Ų320%016%0.159CC..EExtended strand (participates in β ladder)trans-131.4136.3-176.8-174.10000109.7V412 L413 V414 L536 L539 L570 I586 M590V412-V572 PolarHBondContact O-N 3.1Å; L413-V572 WeakPolarHBondContact CA-O 3.35Å; L413-V572 HydrophobicContact CD1-CB 3.74Å; L413-V572 HydrophobicContact CD1-CG1 3.61Å; V414-V572 PolarHBondContact N-O 3.02Å; L536-V572 HydrophobicContact CB-CG1 4.48Å; L536-V572 HydrophobicContact CB-CG2 4.41Å; L536-V572 HydrophobicContact CD1-CG2 4.38Å; L539-V572 HydrophobicContact CB-CG1 4.09Å; L539-V572 HydrophobicContact CD2-CG1 3.81Å; L570-V572 HydrophobicContact CD1-CG2 4.21Å; L570-V572 HydrophobicContact CD2-CG2 4.46Å; L570-V572 HydrophobicContact CG-CG2 3.98Å; V572-I586 HydrophobicContact CG1-CG2 4.45Å; V572-I586 HydrophobicContact CG2-CG2 4.03Å; V572-M590 HydrophobicContact CB-CE 4.47Å; V572-M590 HydrophobicContact CG2-CE 3.98Å; V572-M590 HydrophobicContact CG2-SD 4.08Å
573S96.5Very high89.1Confident0 Ų029.3 Ų29.30%015%0.148CC..EExtended strand (participates in β ladder)trans-126144.9171.4109.90000111.5V414 L536 D537 N538 L539V414-S573 CarbonylContact O-C 3.55Å; V414-S573 WeakPolarHBondContact O-CA 3.44Å; L536-S573 PolarHBondContact O-N 3.28Å; D537-S573 VanDerWaalsContact OD1-CB 3.31Å; D537-S573 WeakPolarHBondContact OD1-CB 3.44Å; D537-S573 PolarHBondContact OD1-OG 3.31Å; N538-S573 CarbonylContact C-O 3.56Å; N538-S573 VanDerWaalsContact CA-O 3.23Å; N538-S573 WeakPolarHBondContact CA-O 3.49Å; N538-S573 PolarHBondContact N-O 3.42Å; N538-S573 VanDerWaalsContact N-O 3.09Å; N538-S573 PolarHBondContact N-OG 2.94Å; L539-S573 PolarHBondContact N-O 3.18Å
574G94.6Very high89.1Confident0 Ų034 Ų340%017%0.169CC..EExtended strand (participates in β ladder)trans-145.2162.1-175.500000113V414 G416 K422 N540V414-G574 PolarHBondContact O-N 3.46Å; G416-G574 PolarHBondContact N-O 2.95Å; G416-G574 VanDerWaalsContact N-O 3.16Å; G416-G574 VanDerWaalsContact O-O 3.13Å; K422-G574 WeakPolarHBondContact CD-O 3.26Å; K422-G574 WeakPolarHBondContact CE-O 3.42Å; K422-G574 PolarHBondContact NZ-O 2.92Å; N540-G574 WeakPolarHBondContact OD1-CA 3.44Å
575R91.3Very high89.6Confident72 Ų7233.6 Ų33.627%0.27216%0.162SC..SBendtrans-94.8-31.1167.7-57.3-170.3-162.1-161.27.9112.6G416 N540 D541G416-R575 WeakPolarHBondContact O-CA 3.5Å; N540-R575 PolarHBondContact OD1-N 3.2Å; D541-R575 IonicContact OD1-CZ 3.6Å; D541-R575 IonicContact OD1-NE 2.72Å; D541-R575 PolarHBondContact OD1-NE 2.88Å; D541-R575 IonicContact OD1-NH2 3.56Å; D541-R575 PolarHBondContact OD1-NH2 3.09Å; D541-R575 IonicContact OD2-CZ 3.66Å; D541-R575 VanDerWaalsContact OD2-CZ 3.23Å; D541-R575 IonicContact OD2-NE 3.84Å; D541-R575 PolarHBondContact OD2-NE 3.14Å; D541-R575 IonicContact OD2-NH2 2.71Å; D541-R575 PolarHBondContact OD2-NH2 2.92Å
576I91.8Very high90.7Very high34 Ų3430.4 Ų30.417%0.17415%0.148CC..SBendtrans-136.1135.4-164.2-61.2165.7000109N540 H578 E602 K762 H763N540-I576 PolarHBondContact ND2-O 2.78Å; N540-I576 PolarHBondContact OD1-N 3.38Å; N540-I576 PolarHBondContact OD1-O 2.87Å; I576-H578 VanDerWaalsContact C-N 3.33Å; I576-H578 PolarHBondContact O-N 2.91Å; I576-E602 VanDerWaalsContact CA-OE2 3.27Å; I576-E602 WeakPolarHBondContact CA-OE2 3.48Å; I576-K762 HydrophobicContact CD1-CB 4.42Å; I576-K762 HydrophobicContact CD1-CD 3.88Å; I576-K762 HydrophobicContact CD1-CG 4.24Å; I576-H763 WeakPolarHBondContact CG2-CE1 3.16Å
577W92.4Very high91.5Very high1 Ų124.7 Ų24.70%0.00412%0.117CC..  trans-77.979.7170.4-174.9-94.3000110.6L413 V415 T579 M582 V583 L587 V595 F597 E602 Y606 H763L413-W577 HydrophobicContact CD2-CH2 4.18Å; L413-W577 HydrophobicContact CD2-CZ3 3.65Å; V415-W577 HydrophobicContact CG2-CE3 4.17Å; W577-T579 VanDerWaalsContact CD1-OG1 3.26Å; W577-T579 PolarHBondContact NE1-OG1 3.38Å; W577-T579 PolarHBondContact O-N 3.26Å; W577-T579 VanDerWaalsContact O-N 3.08Å; W577-M582 HydrophobicContact CD2-CB 4.33Å; W577-M582 HydrophobicContact CD2-CG 4.09Å; W577-M582 HydrophobicContact CE3-CB 4.27Å; W577-M582 HydrophobicContact CE3-CG 3.92Å; W577-M582 HydrophobicContact CH2-CB 3.54Å; W577-M582 HydrophobicContact CH2-CG 4.1Å; W577-M582 HydrophobicContact CZ2-CB 3.56Å; W577-M582 HydrophobicContact CZ2-CG 4.23Å; W577-M582 HydrophobicContact CZ3-CB 3.92Å; W577-M582 HydrophobicContact CZ3-CG 3.95Å; W577-V583 HydrophobicContact CZ2-CG2 4.29Å; W577-L587 HydrophobicContact CH2-CD1 3.78Å; W577-L587 HydrophobicContact CZ2-CD1 4.19Å; W577-V595 HydrophobicContact CZ3-CG1 3.96Å; W577-F597 HydrophobicContact CB-CE1 4.12Å; W577-F597 AromaticContact CD2-CE1 3.86Å; W577-F597 HydrophobicContact CD2-CE1 3.86Å; W577-F597 AromaticContact CD2-CZ 3.92Å; W577-F597 HydrophobicContact CD2-CZ 3.92Å; W577-F597 AromaticContact CE3-CE1 3.45Å; W577-F597 HydrophobicContact CE3-CE1 3.45Å; W577-F597 VanDerWaalsContact CE3-CE1 3.45Å; W577-F597 AromaticContact CE3-CZ 3.41Å; W577-F597 HydrophobicContact CE3-CZ 3.41Å; W577-F597 VanDerWaalsContact CE3-CZ 3.41Å; W577-F597 HydrophobicContact CG-CE1 4.11Å; W577-F597 HydrophobicContact CH2-CZ 4.49Å; W577-F597 HydrophobicContact CZ3-CE1 4.2Å; W577-F597 AromaticContact CZ3-CZ 3.72Å; W577-F597 HydrophobicContact CZ3-CZ 3.72Å; W577-E602 HydrophobicContact CB-CB 4.49Å; W577-E602 PolarHBondContact N-OE2 3.3Å; W577-Y606 HydrophobicContact CD2-CD2 4.31Å; W577-Y606 AromaticContact CE2-CD2 3.7Å; W577-Y606 AromaticContact CH2-CD2 3.88Å; W577-Y606 HydrophobicContact CH2-CD2 3.88Å; W577-Y606 HydrophobicContact CH2-CE2 4.21Å; W577-Y606 AromaticContact CZ2-CD2 3.5Å; W577-Y606 HydrophobicContact CZ2-CD2 3.5Å; W577-Y606 HydrophobicContact CZ2-CE2 4.1Å; W577-Y606 HydrophobicContact CZ3-CD2 4.42Å; W577-H763 PolarHBondContact O-CE1 2.96Å; W577-H763 VanDerWaalsContact O-CE1 3.27Å; W577-H763 PolarHBondContact O-ND1 3.44Å
578H88.8Confident91.6Very high15 Ų1524.3 Ų24.37%0.06912%0.124CC..  trans-77.396173.3-177.1-81.3000110I576 D580 L581 M582 R1022I576-H578 VanDerWaalsContact C-N 3.33Å; I576-H578 PolarHBondContact O-N 2.91Å; H578-D580 IonicContact CE1-OD2 2.9Å; H578-D580 PolarHBondContact CE1-OD2 2.95Å; H578-D580 IonicContact NE2-OD2 3.86Å; H578-D580 PolarHBondContact O-N 3.26Å; H578-L581 HydrophobicContact CB-CB 4.24Å; H578-L581 VanDerWaalsContact ND1-CB 3.26Å; H578-L581 WeakPolarHBondContact ND1-CB 3.41Å; H578-L581 PolarHBondContact ND1-N 3.04Å; H578-L581 WeakPolarHBondContact O-CB 3.09Å; H578-L581 PolarHBondContact O-N 3.45Å; H578-L581 VanDerWaalsContact O-N 3.08Å; H578-M582 WeakPolarHBondContact O-CG 3.14Å; H578-M582 PolarHBondContact O-N 3.49Å; H578-R1022 PolarHBondContact CD2-NH1 3.08Å; H578-R1022 PolarHBondContact CE1-NH2 3.33Å; H578-R1022 VanDerWaalsContact NE2-CZ 3.34Å; H578-R1022 PolarHBondContact NE2-NH1 2.95Å; H578-R1022 PolarHBondContact NE2-NH2 3.18Å
579T87.9Confident91.6Very high22 Ų2225.1 Ų25.114%0.13513%0.128CC..Hα-helixtrans-51-53.1-164.8-55.50000114.5V342 W577 L581 M582 V583V342-T579 HydrophobicContact CB-CG2 3.81Å; V342-T579 HydrophobicContact CG1-CG2 4.21Å; V342-T579 HydrophobicContact CG2-CG2 4.29Å; W577-T579 VanDerWaalsContact CD1-OG1 3.26Å; W577-T579 PolarHBondContact NE1-OG1 3.38Å; W577-T579 PolarHBondContact O-N 3.26Å; W577-T579 VanDerWaalsContact O-N 3.08Å; T579-L581 VanDerWaalsContact C-N 3.28Å; T579-L581 PolarHBondContact O-N 3.47Å; T579-M582 PolarHBondContact O-N 3.03Å; T579-V583 HydrophobicContact CG2-CG2 3.97Å; T579-V583 WeakPolarHBondContact O-CB 3.24Å; T579-V583 WeakPolarHBondContact O-CG2 3.32Å; T579-V583 PolarHBondContact O-N 3Å
580D85.3Confident91.4Very high38 Ų3824.7 Ų24.720%0.20313%0.127CC..Hα-helixtrans-59.9-40.2-178.1-35.5-34.9000112.1H578 Q584 K764H578-D580 IonicContact CE1-OD2 2.9Å; H578-D580 PolarHBondContact CE1-OD2 2.95Å; H578-D580 IonicContact NE2-OD2 3.86Å; H578-D580 PolarHBondContact O-N 3.26Å; D580-Q584 WeakPolarHBondContact O-CA 3.43Å; D580-Q584 WeakPolarHBondContact O-CB 3.37Å; D580-Q584 WeakPolarHBondContact O-CG 3.17Å; D580-Q584 PolarHBondContact O-N 2.96Å; D580-K764 WeakPolarHBondContact OD2-CE 3.37Å; D580-K764 IonicContact OD2-NZ 2.99Å; D580-K764 PolarHBondContact OD2-NZ 2.92Å
581L89.3Confident90.7Very high7 Ų727 Ų274%0.03714%0.142CC..Hα-helixtrans-64.7-49-179.6175.770.2000109.9L539 V543 M551 L554 H578 T579 H585 I586L539-L581 HydrophobicContact CD2-CD2 3.98Å; L539-L581 HydrophobicContact CD2-CG 4.39Å; L539-L581 HydrophobicContact CG-CD2 4.17Å; V543-L581 HydrophobicContact CG2-CD1 4.34Å; V543-L581 HydrophobicContact CG2-CD2 3.86Å; M551-L581 HydrophobicContact CE-CD1 4.25Å; M551-L581 HydrophobicContact SD-CD1 3.84Å; L554-L581 HydrophobicContact CD1-CD1 3.68Å; H578-L581 HydrophobicContact CB-CB 4.24Å; H578-L581 VanDerWaalsContact ND1-CB 3.26Å; H578-L581 WeakPolarHBondContact ND1-CB 3.41Å; H578-L581 PolarHBondContact ND1-N 3.04Å; H578-L581 WeakPolarHBondContact O-CB 3.09Å; H578-L581 PolarHBondContact O-N 3.45Å; H578-L581 VanDerWaalsContact O-N 3.08Å; T579-L581 VanDerWaalsContact C-N 3.28Å; T579-L581 PolarHBondContact O-N 3.47Å; L581-H585 HydrophobicContact CD1-CB 4.5Å; L581-H585 WeakPolarHBondContact O-CB 3.5Å; L581-H585 PolarHBondContact O-N 2.88Å; L581-I586 HydrophobicContact CG-CG1 4.43Å; L581-I586 PolarHBondContact O-N 3.5Å
582M91.2Very high90.1Very high0 Ų028.6 Ų28.60%015%0.15CC..Iπ-helixtrans-67-46-178-60.4-57.5175.100110.9L413 L539 W577 H578 T579 I586 L587L413-M582 HydrophobicContact CD1-CE 4.48Å; L413-M582 HydrophobicContact CD1-SD 4.06Å; L413-M582 HydrophobicContact CD2-SD 4.07Å; L539-M582 HydrophobicContact CD2-CE 4.38Å; W577-M582 HydrophobicContact CD2-CB 4.33Å; W577-M582 HydrophobicContact CD2-CG 4.09Å; W577-M582 HydrophobicContact CE3-CB 4.27Å; W577-M582 HydrophobicContact CE3-CG 3.92Å; W577-M582 HydrophobicContact CH2-CB 3.54Å; W577-M582 HydrophobicContact CH2-CG 4.1Å; W577-M582 HydrophobicContact CZ2-CB 3.56Å; W577-M582 HydrophobicContact CZ2-CG 4.23Å; W577-M582 HydrophobicContact CZ3-CB 3.92Å; W577-M582 HydrophobicContact CZ3-CG 3.95Å; H578-M582 WeakPolarHBondContact O-CG 3.14Å; H578-M582 PolarHBondContact O-N 3.49Å; T579-M582 PolarHBondContact O-N 3.03Å; M582-I586 PolarHBondContact O-N 3.32Å; M582-I586 HydrophobicContact SD-CB 4.41Å; M582-I586 HydrophobicContact SD-CG1 4.23Å; M582-L587 WeakPolarHBondContact O-CB 3.37Å; M582-L587 WeakPolarHBondContact O-CG 3.43Å; M582-L587 PolarHBondContact O-N 3.37Å
583V87.8Confident89.8Confident30 Ų3028.7 Ų28.718%0.18215%0.151CC..Iπ-helixtrans-76.4-42.3-174.4174.90000113.1P344 W577 T579 L587 P588P344-V583 HydrophobicContact CB-CG1 3.93Å; P344-V583 HydrophobicContact CB-CG2 3.76Å; P344-V583 HydrophobicContact CG-CG2 3.79Å; W577-V583 HydrophobicContact CZ2-CG2 4.29Å; T579-V583 HydrophobicContact CG2-CG2 3.97Å; T579-V583 WeakPolarHBondContact O-CB 3.24Å; T579-V583 WeakPolarHBondContact O-CG2 3.32Å; T579-V583 PolarHBondContact O-N 3Å; V583-L587 HydrophobicContact CG2-CD1 4.3Å; V583-P588 WeakPolarHBondContact O-CD 3.26Å; V583-P588 WeakPolarHBondContact O-CG 3.32Å
584Q87.3Confident89.7Confident116 Ų11628.7 Ų28.754%0.54215%0.151SC..Iπ-helixtrans-90.6-25.2-172.6-55.2174.7-0.200113.2D580D580-Q584 WeakPolarHBondContact O-CA 3.43Å; D580-Q584 WeakPolarHBondContact O-CB 3.37Å; D580-Q584 WeakPolarHBondContact O-CG 3.17Å; D580-Q584 PolarHBondContact O-N 2.96Å
585H89.8Confident89.8Confident57 Ų5728.7 Ų28.726%0.26415%0.151SC..Iπ-helixtrans-126.6-21.1-170.2-58-73.4000115.9M551 L554 L581 L589M551-H585 HydrophobicContact CE-CB 4.27Å; M551-H585 WeakPolarHBondContact CE-CD2 3.49Å; M551-H585 WeakPolarHBondContact CE-NE2 3.47Å; L554-H585 HydrophobicContact CD1-CB 4.18Å; L581-H585 HydrophobicContact CD1-CB 4.5Å; L581-H585 WeakPolarHBondContact O-CB 3.5Å; L581-H585 PolarHBondContact O-N 2.88Å; H585-L589 VanDerWaalsContact O-CD1 3.3Å; H585-L589 WeakPolarHBondContact O-CD1 3.36Å; H585-L589 WeakPolarHBondContact O-CG 3.22Å
586I93.4Very high90Very high0 Ų025.3 Ų25.30%014%0.138CC..Iπ-helixtrans-105.7-57.2-177.7-60.7-62.1000111.9L413 L539 L554 V572 L581 M582 P588 L589 M590L413-I586 HydrophobicContact CD2-CG2 4.47Å; L539-I586 HydrophobicContact CD2-CD1 3.52Å; L539-I586 HydrophobicContact CD2-CG1 3.7Å; L554-I586 HydrophobicContact CD1-CD1 3.77Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.29Å; V572-I586 HydrophobicContact CG1-CG2 4.45Å; V572-I586 HydrophobicContact CG2-CG2 4.03Å; L581-I586 HydrophobicContact CG-CG1 4.43Å; L581-I586 PolarHBondContact O-N 3.5Å; M582-I586 PolarHBondContact O-N 3.32Å; M582-I586 HydrophobicContact SD-CB 4.41Å; M582-I586 HydrophobicContact SD-CG1 4.23Å; I586-P588 VanDerWaalsContact C-CD 3.42Å; I586-L589 WeakPolarHBondContact O-CA 3.15Å; I586-L589 WeakPolarHBondContact O-CB 3.29Å; I586-L589 PolarHBondContact O-N 2.92Å; I586-M590 HydrophobicContact CG2-SD 3.46Å; I586-M590 WeakPolarHBondContact CG2-SD 3.31Å; I586-M590 WeakPolarHBondContact O-CG 3.43Å
587L91.3Very high90.2Very high16 Ų1623.7 Ų23.78%0.08413%0.13CC..G310 helixtrans-59.4-33.5-177.6-68.5167.8000114.6F345 L413 W577 M582 V583 L589 M590 V593 V595F345-L587 HydrophobicContact CE2-CD1 3.73Å; F345-L587 HydrophobicContact CZ-CB 4.22Å; F345-L587 HydrophobicContact CZ-CD1 3.52Å; F345-L587 HydrophobicContact CZ-CD2 4.07Å; F345-L587 HydrophobicContact CZ-CG 4.14Å; L413-L587 HydrophobicContact CD2-CD2 4.06Å; W577-L587 HydrophobicContact CH2-CD1 3.78Å; W577-L587 HydrophobicContact CZ2-CD1 4.19Å; M582-L587 WeakPolarHBondContact O-CB 3.37Å; M582-L587 WeakPolarHBondContact O-CG 3.43Å; M582-L587 PolarHBondContact O-N 3.37Å; V583-L587 HydrophobicContact CG2-CD1 4.3Å; L587-L589 PolarHBondContact O-N 3.39Å; L587-M590 PolarHBondContact O-N 3.09Å; L587-M590 VanDerWaalsContact O-N 3.08Å; L587-V593 HydrophobicContact CD2-CG1 4.07Å; L587-V593 HydrophobicContact CD2-CG2 4.46Å; L587-V595 HydrophobicContact CD2-CG2 4.08Å
588P90Very high90.2Very high88 Ų8826 Ų2657%0.57114%0.142SC*.G310 helixtrans-62-23.3172.5-25.236.9000113.8V583 I586 M590V583-P588 WeakPolarHBondContact O-CD 3.26Å; V583-P588 WeakPolarHBondContact O-CG 3.32Å; I586-P588 VanDerWaalsContact C-CD 3.42Å; P588-M590 VanDerWaalsContact C-N 3.31Å
589L90.4Very high90.4Very high21 Ų2125.5 Ų25.511%0.1114%0.14CC..G310 helixtrans-88.55.6177.3-49.6-177.3000112.9P558 L563 L570 H585 I586 L587P558-L589 HydrophobicContact CB-CD2 3.92Å; P558-L589 HydrophobicContact CG-CD2 3.9Å; L563-L589 HydrophobicContact CD1-CB 3.89Å; L563-L589 HydrophobicContact CD1-CD1 4.11Å; L563-L589 HydrophobicContact CD1-CD2 4.23Å; L563-L589 HydrophobicContact CD1-CG 4.3Å; L570-L589 HydrophobicContact CD2-CB 3.71Å; L570-L589 HydrophobicContact CD2-CD1 4.28Å; H585-L589 VanDerWaalsContact O-CD1 3.3Å; H585-L589 WeakPolarHBondContact O-CD1 3.36Å; H585-L589 WeakPolarHBondContact O-CG 3.22Å; I586-L589 WeakPolarHBondContact O-CA 3.15Å; I586-L589 WeakPolarHBondContact O-CB 3.29Å; I586-L589 PolarHBondContact O-N 2.92Å; L587-L589 PolarHBondContact O-N 3.39Å
590M90.9Very high90.7Very high2 Ų224.6 Ų24.61%0.0114%0.135CC..  trans-138.967.8-169.5-53.6175.586.100111.6V412 L413 L570 V572 I586 L587 P588 D592 V593V412-M590 VanDerWaalsContact O-CE 3.26Å; V412-M590 WeakPolarHBondContact O-CE 3.41Å; L413-M590 HydrophobicContact CB-CE 4.19Å; L570-M590 HydrophobicContact CB-CG 4.23Å; L570-M590 HydrophobicContact CD2-CG 3.73Å; L570-M590 HydrophobicContact CD2-SD 4.26Å; L570-M590 HydrophobicContact CG-CE 4.34Å; L570-M590 HydrophobicContact CG-CG 4.16Å; L570-M590 HydrophobicContact CG-SD 4.43Å; L570-M590 WeakPolarHBondContact O-CE 3.4Å; V572-M590 HydrophobicContact CB-CE 4.47Å; V572-M590 HydrophobicContact CG2-CE 3.98Å; V572-M590 HydrophobicContact CG2-SD 4.08Å; I586-M590 HydrophobicContact CG2-SD 3.46Å; I586-M590 WeakPolarHBondContact CG2-SD 3.31Å; I586-M590 WeakPolarHBondContact O-CG 3.43Å; L587-M590 PolarHBondContact O-N 3.09Å; L587-M590 VanDerWaalsContact O-N 3.08Å; P588-M590 VanDerWaalsContact C-N 3.31Å; M590-D592 VanDerWaalsContact C-N 3.32Å; M590-D592 PolarHBondContact O-N 3.26Å; M590-V593 HydrophobicContact CB-CB 3.85Å; M590-V593 HydrophobicContact CB-CG2 4.22Å; M590-V593 HydrophobicContact CE-CG2 3.89Å; M590-V593 WeakPolarHBondContact O-CB 3.5Å; M590-V593 PolarHBondContact O-N 3.22Å; M590-V593 HydrophobicContact SD-CG2 4.25Å
591P81Confident91.1Very high49 Ų4923 Ų2332%0.31813%0.126SC..THydrogen-bonded Turntrans-55.7-43.2-17520.2-32.3000113.4R362R362-P591 WeakPolarHBondContact CD-O 3.33Å; R362-P591 PolarHBondContact NE-O 2.87Å
592D83.8Confident91.4Very high32 Ų3223.1 Ų23.117%0.17113%0.127CC..THydrogen-bonded Turntrans-102.436.7-176.8-61.4-75.8000113.3H363 H405 M590H363-D592 IonicContact CD2-OD1 3.67Å; H363-D592 IonicContact CE1-OD1 2.68Å; H363-D592 IonicContact NE2-OD1 3.05Å; H363-D592 PolarHBondContact NE2-OD1 3.03Å; H405-D592 PolarHBondContact CE1-O 3.18Å; H405-D592 PolarHBondContact NE2-O 3.21Å; M590-D592 VanDerWaalsContact C-N 3.32Å; M590-D592 PolarHBondContact O-N 3.26Å
593V92.1Very high91.4Very high3 Ų323.1 Ų23.12%0.01813%0.127CC..  trans-62.8143-176.968.90000113.5W360 S361 S411 L413 L587 M590 V595W360-V593 HydrophobicContact CE3-CG1 4.42Å; W360-V593 HydrophobicContact CZ3-CG1 3.87Å; S361-V593 WeakPolarHBondContact CB-O 3.42Å; S361-V593 PolarHBondContact OG-O 3.39Å; S411-V593 WeakPolarHBondContact O-CA 3.39Å; L413-V593 HydrophobicContact CB-CG2 4.02Å; L587-V593 HydrophobicContact CD2-CG1 4.07Å; L587-V593 HydrophobicContact CD2-CG2 4.46Å; M590-V593 HydrophobicContact CB-CB 3.85Å; M590-V593 HydrophobicContact CB-CG2 4.22Å; M590-V593 HydrophobicContact CE-CG2 3.89Å; M590-V593 WeakPolarHBondContact O-CB 3.5Å; M590-V593 PolarHBondContact O-N 3.22Å; M590-V593 HydrophobicContact SD-CG2 4.25Å; V593-V595 HydrophobicContact CG1-CG2 3.95Å; V593-V595 HydrophobicContact CG2-CG2 3.83Å
594L94.8Very high91.6Very high0 Ų021.9 Ų21.90%012%0.119CC..EExtended strand (participates in β ladder)trans-104.7115.7152.8169.465.5000107.8W360 V365 F401 H405 S411 V412 L413 L596W360-L594 WeakPolarHBondContact O-CA 3.26Å; V365-L594 HydrophobicContact CG1-CD2 4.36Å; V365-L594 HydrophobicContact CG2-CD1 4.33Å; V365-L594 HydrophobicContact CG2-CD2 4.44Å; F401-L594 HydrophobicContact CB-CD2 4.08Å; F401-L594 WeakPolarHBondContact O-CD2 3.24Å; H405-L594 HydrophobicContact CB-CB 4.48Å; H405-L594 HydrophobicContact CB-CD2 3.62Å; H405-L594 VanDerWaalsContact CD2-CB 3.42Å; H405-L594 WeakPolarHBondContact CD2-CB 3.41Å; H405-L594 VanDerWaalsContact NE2-CB 3.33Å; H405-L594 WeakPolarHBondContact NE2-CB 3.02Å; H405-L594 PolarHBondContact NE2-N 3.03Å; S411-L594 PolarHBondContact O-N 3.22Å; V412-L594 WeakPolarHBondContact CA-O 3.26Å; V412-L594 HydrophobicContact CG2-CB 4.22Å; V412-L594 HydrophobicContact CG2-CD2 4.32Å; V412-L594 HydrophobicContact CG2-CG 4.31Å; V412-L594 VanDerWaalsContact CG2-O 3.32Å; V412-L594 WeakPolarHBondContact CG2-O 3.45Å; L413-L594 PolarHBondContact N-O 2.7Å; L594-L596 HydrophobicContact CD1-CD2 3.76Å; L594-L596 HydrophobicContact CD1-CG 4.33Å; L594-L596 HydrophobicContact CD2-CD1 4.16Å; L594-L596 HydrophobicContact CD2-CD2 4.13Å; L594-L596 HydrophobicContact CD2-CG 4.21Å; L594-L596 HydrophobicContact CG-CD1 4.41Å; L594-L596 HydrophobicContact CG-CD2 3.9Å; L594-L596 HydrophobicContact CG-CG 3.94Å
595V95.1Very high91.8Very high0 Ų016.5 Ų16.50%09%0.094CC..EExtended strand (participates in β ladder)trans-94.2131.2173.1-1710000108.1G359 W360 L413 W577 L587 V593 F597G359-V595 CarbonylContact C-O 3.58Å; G359-V595 VanDerWaalsContact CA-O 3.29Å; G359-V595 WeakPolarHBondContact CA-O 3.29Å; W360-V595 HydrophobicContact CE3-CG2 4.21Å; W360-V595 PolarHBondContact N-O 2.73Å; W360-V595 PolarHBondContact O-N 2.97Å; L413-V595 HydrophobicContact CB-CG2 4.48Å; L413-V595 HydrophobicContact CD2-CG1 4.29Å; L413-V595 HydrophobicContact CD2-CG2 4.45Å; L413-V595 HydrophobicContact CG-CG1 4.33Å; L413-V595 CarbonylContact O-C 3.59Å; L413-V595 WeakPolarHBondContact O-CA 3.32Å; W577-V595 HydrophobicContact CZ3-CG1 3.96Å; L587-V595 HydrophobicContact CD2-CG2 4.08Å; V593-V595 HydrophobicContact CG1-CG2 3.95Å; V593-V595 HydrophobicContact CG2-CG2 3.83Å; V595-F597 HydrophobicContact CB-CE2 4.49Å; V595-F597 HydrophobicContact CG1-CD2 4.22Å; V595-F597 HydrophobicContact CG1-CE2 3.46Å; V595-F597 VanDerWaalsContact CG1-CE2 3.46Å; V595-F597 HydrophobicContact CG1-CZ 3.78Å
596L95.9Very high91.8Very high0 Ų015.3 Ų15.30%09%0.088CC..EExtended strand (participates in β ladder)trans-127.7130.5179.4-62.4177.3000110.9V357 V398 F401 A402 V412 L413 V414 V415 L594V357-L596 HydrophobicContact CG1-CB 4.35Å; V357-L596 HydrophobicContact CG1-CD2 4Å; V398-L596 HydrophobicContact CB-CD1 4.17Å; V398-L596 HydrophobicContact CG1-CB 4.25Å; V398-L596 WeakPolarHBondContact O-CD1 3.38Å; F401-L596 HydrophobicContact CB-CD1 4.07Å; F401-L596 HydrophobicContact CB-CD2 3.8Å; F401-L596 HydrophobicContact CD2-CD2 4.36Å; F401-L596 HydrophobicContact CG-CD2 4.19Å; A402-L596 HydrophobicContact CB-CD1 3.88Å; V412-L596 HydrophobicContact CG2-CD1 4.47Å; L413-L596 PolarHBondContact O-N 3.18Å; V414-L596 HydrophobicContact CG1-CB 4.43Å; V414-L596 HydrophobicContact CG2-CD1 4.36Å; V415-L596 PolarHBondContact N-O 2.67Å; L594-L596 HydrophobicContact CD1-CD2 3.76Å; L594-L596 HydrophobicContact CD1-CG 4.33Å; L594-L596 HydrophobicContact CD2-CD1 4.16Å; L594-L596 HydrophobicContact CD2-CD2 4.13Å; L594-L596 HydrophobicContact CD2-CG 4.21Å; L594-L596 HydrophobicContact CG-CD1 4.41Å; L594-L596 HydrophobicContact CG-CD2 3.9Å; L594-L596 HydrophobicContact CG-CG 3.94Å
597F95.3Very high91.3Very high1 Ų115.5 Ų15.50%0.0049%0.089CC..EExtended strand (participates in β ladder)trans-116.5117171.7-57.7-95.9000110.1V357 L358 V415 W577 V595 E602 A603 Y606V357-F597 VanDerWaalsContact CA-O 3.32Å; V357-F597 WeakPolarHBondContact CA-O 3.42Å; L358-F597 HydrophobicContact CB-CB 4.33Å; L358-F597 HydrophobicContact CD2-CD2 4.21Å; L358-F597 PolarHBondContact N-O 3.5Å; L358-F597 PolarHBondContact O-N 3.35Å; V415-F597 HydrophobicContact CB-CD1 4.03Å; V415-F597 HydrophobicContact CB-CE1 4.27Å; V415-F597 HydrophobicContact CG1-CD1 4.21Å; V415-F597 HydrophobicContact CG1-CE1 4.43Å; V415-F597 WeakPolarHBondContact O-CA 3.23Å; W577-F597 HydrophobicContact CB-CE1 4.12Å; W577-F597 AromaticContact CD2-CE1 3.86Å; W577-F597 HydrophobicContact CD2-CE1 3.86Å; W577-F597 AromaticContact CD2-CZ 3.92Å; W577-F597 HydrophobicContact CD2-CZ 3.92Å; W577-F597 AromaticContact CE3-CE1 3.45Å; W577-F597 HydrophobicContact CE3-CE1 3.45Å; W577-F597 VanDerWaalsContact CE3-CE1 3.45Å; W577-F597 AromaticContact CE3-CZ 3.41Å; W577-F597 HydrophobicContact CE3-CZ 3.41Å; W577-F597 VanDerWaalsContact CE3-CZ 3.41Å; W577-F597 HydrophobicContact CG-CE1 4.11Å; W577-F597 HydrophobicContact CH2-CZ 4.49Å; W577-F597 HydrophobicContact CZ3-CE1 4.2Å; W577-F597 AromaticContact CZ3-CZ 3.72Å; W577-F597 HydrophobicContact CZ3-CZ 3.72Å; V595-F597 HydrophobicContact CB-CE2 4.49Å; V595-F597 HydrophobicContact CG1-CD2 4.22Å; V595-F597 HydrophobicContact CG1-CE2 3.46Å; V595-F597 VanDerWaalsContact CG1-CE2 3.46Å; V595-F597 HydrophobicContact CG1-CZ 3.78Å; F597-E602 HydrophobicContact CD1-CB 4.36Å; F597-A603 HydrophobicContact CB-CB 3.71Å; F597-A603 HydrophobicContact CD1-CB 4.11Å; F597-A603 HydrophobicContact CD2-CB 4.35Å; F597-A603 HydrophobicContact CG-CB 3.82Å; F597-Y606 HydrophobicContact CE1-CG 4.27Å; F597-Y606 AromaticContact CE2-CD1 3.59Å; F597-Y606 HydrophobicContact CE2-CD1 3.59Å; F597-Y606 HydrophobicContact CE2-CD2 4.37Å; F597-Y606 HydrophobicContact CE2-CE1 4.05Å; F597-Y606 AromaticContact CE2-CG 3.77Å; F597-Y606 HydrophobicContact CE2-CG 3.77Å; F597-Y606 AromaticContact CZ-CD1 3.72Å; F597-Y606 HydrophobicContact CZ-CD1 3.72Å; F597-Y606 AromaticContact CZ-CD2 3.88Å; F597-Y606 HydrophobicContact CZ-CD2 3.88Å; F597-Y606 HydrophobicContact CZ-CE1 4.47Å; F597-Y606 AromaticContact CZ-CG 3.37Å; F597-Y606 HydrophobicContact CZ-CG 3.37Å
598D92.7Very high91.1Very high49 Ų4914.8 Ų14.826%0.2629%0.086SC..SBendtrans-86.6-19.6167.4-161.583.6000111.4V357 V398 V415 I420V357-D598 HydrophobicContact CG2-CB 4.42Å; V398-D598 HydrophobicContact CG1-CB 3.79Å; V415-D598 PolarHBondContact O-N 3.07Å; I420-D598 HydrophobicContact CD1-CB 3.42Å; I420-D598 VanDerWaalsContact CD1-CB 3.42Å; I420-D598 VanDerWaalsContact CG2-OD2 3.28Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.19Å
599D93.7Very high91.1Very high4 Ų410.7 Ų10.72%0.0216%0.06CC..  trans-104.3114.5178.6-163.7-56.6000111.1N417 L601 E602 A603 K720N417-D599 PolarHBondContact ND2-OD2 2.87Å; N417-D599 PolarHBondContact OD1-OD2 3.04Å; D599-L601 VanDerWaalsContact C-N 3.32Å; D599-L601 PolarHBondContact O-N 3.14Å; D599-L601 WeakPolarHBondContact OD1-CB 3.47Å; D599-L601 PolarHBondContact OD1-N 3.37Å; D599-E602 HydrophobicContact CB-CB 4.06Å; D599-E602 HydrophobicContact CB-CG 3.85Å; D599-E602 PolarHBondContact O-N 3.37Å; D599-E602 PolarHBondContact OD1-N 3.09Å; D599-A603 WeakPolarHBondContact O-CB 3.46Å; D599-A603 PolarHBondContact O-N 3.43Å; D599-K720 WeakPolarHBondContact OD2-CE 3.36Å; D599-K720 IonicContact OD2-NZ 2.79Å; D599-K720 PolarHBondContact OD2-NZ 3.03Å
600A93.7Very high91Very high4 Ų411.8 Ų11.83%0.0336%0.064CC..Hα-helixtrans-72.7-21.4-174.200000114.2S604 F723 S724 Y727A600-S604 WeakPolarHBondContact O-CB 3.45Å; A600-S604 PolarHBondContact O-N 2.78Å; A600-S604 VanDerWaalsContact O-N 3.13Å; A600-S604 PolarHBondContact O-OG 3.17Å; A600-F723 HydrophobicContact CB-CB 4.07Å; A600-F723 WeakPolarHBondContact O-CB 3.43Å; A600-S724 VanDerWaalsContact CB-N 3.34Å; A600-Y727 HydrophobicContact CB-CE1 3.67Å; A600-Y727 WeakPolarHBondContact CB-OH 3.41Å
601L94.8Very high91.1Very high4 Ų411.9 Ų11.92%0.0216%0.064CC..Hα-helixtrans-74.4-44.4173.3175.858.5000109.9D599 A603 S604 V605 W716 K720 F723 F759D599-L601 VanDerWaalsContact C-N 3.32Å; D599-L601 PolarHBondContact O-N 3.14Å; D599-L601 WeakPolarHBondContact OD1-CB 3.47Å; D599-L601 PolarHBondContact OD1-N 3.37Å; L601-A603 VanDerWaalsContact C-N 3.29Å; L601-A603 PolarHBondContact O-N 3Å; L601-S604 WeakPolarHBondContact O-CA 3.35Å; L601-S604 WeakPolarHBondContact O-CB 3.15Å; L601-S604 PolarHBondContact O-N 2.72Å; L601-V605 PolarHBondContact O-N 3.33Å; L601-V605 VanDerWaalsContact O-N 3.07Å; L601-W716 HydrophobicContact CD2-CH2 4.37Å; L601-W716 HydrophobicContact CD2-CZ2 4.16Å; L601-K720 HydrophobicContact CB-CB 4.02Å; L601-K720 HydrophobicContact CB-CD 4.08Å; L601-K720 HydrophobicContact CB-CG 3.89Å; L601-K720 HydrophobicContact CD2-CD 3.9Å; L601-K720 HydrophobicContact CD2-CG 3.75Å; L601-K720 HydrophobicContact CG-CG 4.48Å; L601-F723 HydrophobicContact CB-CD2 4.17Å; L601-F723 HydrophobicContact CB-CG 4.33Å; L601-F723 HydrophobicContact CD1-CD1 3.88Å; L601-F723 HydrophobicContact CD1-CD2 3.97Å; L601-F723 HydrophobicContact CD1-CE1 3.68Å; L601-F723 HydrophobicContact CD1-CE2 3.79Å; L601-F723 HydrophobicContact CD1-CG 4.03Å; L601-F723 HydrophobicContact CD1-CZ 3.65Å; L601-F759 HydrophobicContact CD1-CE1 4.11Å; L601-F759 HydrophobicContact CD1-CE2 4.07Å; L601-F759 HydrophobicContact CD1-CZ 3.57Å; L601-F759 HydrophobicContact CD2-CD2 3.71Å; L601-F759 HydrophobicContact CD2-CE1 4.27Å; L601-F759 HydrophobicContact CD2-CE2 3.41Å; L601-F759 VanDerWaalsContact CD2-CE2 3.41Å; L601-F759 HydrophobicContact CD2-CG 4.26Å; L601-F759 HydrophobicContact CD2-CZ 3.72Å; L601-F759 HydrophobicContact CG-CD2 4.24Å; L601-F759 HydrophobicContact CG-CE1 4.33Å; L601-F759 HydrophobicContact CG-CE2 3.42Å; L601-F759 VanDerWaalsContact CG-CE2 3.42Å; L601-F759 HydrophobicContact CG-CZ 3.47Å; L601-F759 VanDerWaalsContact CG-CZ 3.47Å
602E94.4Very high91.6Very high10 Ų1010.4 Ų10.45%0.0475%0.054CC..Hα-helixtrans-61.9-37.2173.1-60.1-63.9142.700111.9V415 I576 W577 F597 D599 S604 V605 Y606 H763V415-E602 HydrophobicContact CG1-CB 4.21Å; I576-E602 VanDerWaalsContact CA-OE2 3.27Å; I576-E602 WeakPolarHBondContact CA-OE2 3.48Å; W577-E602 HydrophobicContact CB-CB 4.49Å; W577-E602 PolarHBondContact N-OE2 3.3Å; F597-E602 HydrophobicContact CD1-CB 4.36Å; D599-E602 HydrophobicContact CB-CB 4.06Å; D599-E602 HydrophobicContact CB-CG 3.85Å; D599-E602 PolarHBondContact O-N 3.37Å; D599-E602 PolarHBondContact OD1-N 3.09Å; E602-S604 PolarHBondContact O-N 3.27Å; E602-V605 WeakPolarHBondContact O-CB 3.44Å; E602-V605 PolarHBondContact O-N 2.92Å; E602-Y606 PolarHBondContact O-N 2.84Å; E602-Y606 VanDerWaalsContact O-N 3.13Å; E602-H763 IonicContact OE1-CE1 3.69Å; E602-H763 IonicContact OE1-NE2 2.74Å; E602-H763 PolarHBondContact OE1-NE2 3.11Å; E602-H763 IonicContact OE2-CE1 3.71Å; E602-H763 PolarHBondContact OE2-CE1 3.03Å; E602-H763 IonicContact OE2-NE2 2.63Å; E602-H763 PolarHBondContact OE2-NE2 3.29Å; E602-H763 VanDerWaalsContact OE2-NE2 3.1Å
603A92.4Very high92Very high0 Ų09.7 Ų9.70%05%0.051CC..Hα-helixtrans-63.2-29.9171.700000113.2L358 F597 D599 L601 G607 Y727L358-A603 HydrophobicContact CB-CB 4.41Å; L358-A603 HydrophobicContact CD2-CB 3.89Å; F597-A603 HydrophobicContact CB-CB 3.71Å; F597-A603 HydrophobicContact CD1-CB 4.11Å; F597-A603 HydrophobicContact CD2-CB 4.35Å; F597-A603 HydrophobicContact CG-CB 3.82Å; D599-A603 WeakPolarHBondContact O-CB 3.46Å; D599-A603 PolarHBondContact O-N 3.43Å; L601-A603 VanDerWaalsContact C-N 3.29Å; L601-A603 PolarHBondContact O-N 3Å; A603-G607 PolarHBondContact O-N 3.14Å; A603-Y727 HydrophobicContact CB-CE1 3.92Å
604S91.8Very high92.1Very high3 Ų311.9 Ų11.92%0.0216%0.059CC..Hα-helixtrans-78.6-29.8178-62.90000112.4A600 L601 E602 G607 G608 V609A600-S604 WeakPolarHBondContact O-CB 3.45Å; A600-S604 PolarHBondContact O-N 2.78Å; A600-S604 VanDerWaalsContact O-N 3.13Å; A600-S604 PolarHBondContact O-OG 3.17Å; L601-S604 WeakPolarHBondContact O-CA 3.35Å; L601-S604 WeakPolarHBondContact O-CB 3.15Å; L601-S604 PolarHBondContact O-N 2.72Å; E602-S604 PolarHBondContact O-N 3.27Å; S604-G607 PolarHBondContact O-N 3.15Å; S604-G608 PolarHBondContact O-N 3.35Å; S604-G608 VanDerWaalsContact O-N 3.1Å; S604-V609 PolarHBondContact O-N 2.72Å
605V90.9Very high92Very high4 Ų413.3 Ų13.32%0.0247%0.067CC..Hα-helixtrans-62.8-51.7166.71780000110.3L340 L601 E602 G607 G608 F759L340-V605 HydrophobicContact CD2-CB 4.09Å; L340-V605 HydrophobicContact CD2-CG1 3.7Å; L340-V605 HydrophobicContact CD2-CG2 3.93Å; L601-V605 PolarHBondContact O-N 3.33Å; L601-V605 VanDerWaalsContact O-N 3.07Å; E602-V605 WeakPolarHBondContact O-CB 3.44Å; E602-V605 PolarHBondContact O-N 2.92Å; V605-G607 PolarHBondContact O-N 3.26Å; V605-G608 PolarHBondContact O-N 3.26Å; V605-F759 HydrophobicContact CG2-CE1 4.43Å; V605-F759 HydrophobicContact CG2-CE2 4.17Å; V605-F759 HydrophobicContact CG2-CZ 3.51Å
606Y89.1Confident91.8Very high31 Ų3113.3 Ų13.312%0.1227%0.067CC..Hα-helixtrans-53.6-37.1173.5166.8-108.4000112.5F345 W577 F597 E602F345-Y606 HydrophobicContact CE2-CE2 4.37Å; W577-Y606 HydrophobicContact CD2-CD2 4.31Å; W577-Y606 AromaticContact CE2-CD2 3.7Å; W577-Y606 AromaticContact CH2-CD2 3.88Å; W577-Y606 HydrophobicContact CH2-CD2 3.88Å; W577-Y606 HydrophobicContact CH2-CE2 4.21Å; W577-Y606 AromaticContact CZ2-CD2 3.5Å; W577-Y606 HydrophobicContact CZ2-CD2 3.5Å; W577-Y606 HydrophobicContact CZ2-CE2 4.1Å; W577-Y606 HydrophobicContact CZ3-CD2 4.42Å; F597-Y606 HydrophobicContact CE1-CG 4.27Å; F597-Y606 AromaticContact CE2-CD1 3.59Å; F597-Y606 HydrophobicContact CE2-CD1 3.59Å; F597-Y606 HydrophobicContact CE2-CD2 4.37Å; F597-Y606 HydrophobicContact CE2-CE1 4.05Å; F597-Y606 AromaticContact CE2-CG 3.77Å; F597-Y606 HydrophobicContact CE2-CG 3.77Å; F597-Y606 AromaticContact CZ-CD1 3.72Å; F597-Y606 HydrophobicContact CZ-CD1 3.72Å; F597-Y606 AromaticContact CZ-CD2 3.88Å; F597-Y606 HydrophobicContact CZ-CD2 3.88Å; F597-Y606 HydrophobicContact CZ-CE1 4.47Å; F597-Y606 AromaticContact CZ-CG 3.37Å; F597-Y606 HydrophobicContact CZ-CG 3.37Å; E602-Y606 PolarHBondContact O-N 2.84Å; E602-Y606 VanDerWaalsContact O-N 3.13Å
607G84.5Confident91.3Very high4 Ų415.5 Ų15.54%0.0419%0.085CC..Hα-helixtrans-71.9-21.5176.900000116.7A603 S604 V605 V738A603-G607 PolarHBondContact O-N 3.14Å; S604-G607 PolarHBondContact O-N 3.15Å; V605-G607 PolarHBondContact O-N 3.26Å; G607-V738 WeakPolarHBondContact O-CB 3.42Å; G607-V738 WeakPolarHBondContact O-CG2 3.46Å
608G86.1Confident90.9Very high1 Ų120.6 Ų20.61%0.0111%0.113CC..THydrogen-bonded Turntrans65.742-167.500000113.1L340 S604 V605 V738L340-G608 WeakPolarHBondContact O-CA 3.29Å; S604-G608 PolarHBondContact O-N 3.35Å; S604-G608 VanDerWaalsContact O-N 3.1Å; V605-G608 PolarHBondContact O-N 3.26Å; G608-V738 PolarHBondContact O-N 3.33Å
609V89Confident90.6Very high3 Ų321.6 Ų21.62%0.01812%0.116CC..  trans-73.9129.3163.8174.80000107.9L340 S604 F726 G739L340-V609 WeakPolarHBondContact CB-O 3.49Å; L340-V609 WeakPolarHBondContact CD1-O 3.42Å; S604-V609 PolarHBondContact O-N 2.72Å; V609-F726 HydrophobicContact CG1-CD2 3.99Å; V609-F726 HydrophobicContact CG1-CE1 4.25Å; V609-F726 HydrophobicContact CG1-CE2 3.61Å; V609-F726 HydrophobicContact CG1-CG 4.46Å; V609-F726 HydrophobicContact CG1-CZ 3.75Å; V609-F726 HydrophobicContact CG2-CB 4.29Å; V609-F726 HydrophobicContact CG2-CD1 4.34Å; V609-F726 HydrophobicContact CG2-CD2 4.15Å; V609-F726 HydrophobicContact CG2-CG 4.02Å; V609-G739 CarbonylContact C-O 3.35Å; V609-G739 WeakPolarHBondContact CA-O 3.38Å
610Q89.9Confident90.3Very high43 Ų4325.9 Ų25.920%0.20114%0.144CC..EExtended strand (participates in β ladder)trans-73146.1177-71174.4-19.900111.4P737 G739 Q740 S741Q610-P737 HydrophobicContact CG-CB 4.02Å; Q610-G739 PolarHBondContact N-O 3.46Å; Q610-Q740 HydrophobicContact CB-CG 4.33Å; Q610-S741 PolarHBondContact O-N 2.73Å
611L91.9Very high90Very high4 Ų429.7 Ų29.72%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-121.5125.3175.6-174.958.5000110.6A338 L340 V613 F723 V743 F759 Y760A338-L611 PolarHBondContact N-O 2.89Å; L340-L611 HydrophobicContact CD1-CB 4.05Å; L611-V613 HydrophobicContact CG-CG2 4.43Å; L611-F723 HydrophobicContact CD1-CZ 4.27Å; L611-V743 HydrophobicContact CD1-CG2 4.01Å; L611-F759 HydrophobicContact CD2-CD1 4.3Å; L611-F759 HydrophobicContact CD2-CE1 3.97Å; L611-Y760 HydrophobicContact CD2-CD2 4.44Å; L611-Y760 HydrophobicContact CD2-CE2 3.59Å; L611-Y760 HydrophobicContact CG-CE2 4.15Å; L611-Y760 PolarHBondContact O-OH 3.1Å
612D91.4Very high89.8Confident19 Ų1929.6 Ų29.610%0.10216%0.161CC..EExtended strand (participates in β ladder)trans-121.6136.4176.4173.711.7000108.1R614 S741 V742 V743D612-R614 WeakPolarHBondContact OD1-CG 3.39Å; D612-R614 IonicContact OD1-NE 3.07Å; D612-R614 IonicContact OD2-CZ 2.71Å; D612-R614 IonicContact OD2-NE 3.8Å; D612-R614 PolarHBondContact OD2-NE 2.96Å; D612-R614 IonicContact OD2-NH2 3.93Å; D612-R614 PolarHBondContact OD2-NH2 3.14Å; D612-S741 PolarHBondContact N-O 3.17Å; D612-V742 HydrophobicContact CB-CG1 4.36Å; D612-V742 HydrophobicContact CB-CG2 4.15Å; D612-V742 CarbonylContact O-C 3.31Å; D612-V742 WeakPolarHBondContact O-CA 3.2Å; D612-V743 PolarHBondContact O-N 3.13Å
613V93.3Very high89.5Confident16 Ų1630.1 Ų30.110%0.09716%0.163CC..EExtended strand (participates in β ladder)trans-131.3108-179.7-177.10000108.2L611 V743 A745 L756 Y760 L771L611-V613 HydrophobicContact CG-CG2 4.43Å; V613-V743 HydrophobicContact CG1-CB 4.46Å; V613-V743 HydrophobicContact CG2-CB 4.28Å; V613-V743 HydrophobicContact CG2-CG2 4.49Å; V613-A745 HydrophobicContact CG1-CB 4.31Å; V613-L756 HydrophobicContact CG1-CD1 4.07Å; V613-L756 HydrophobicContact CG2-CD1 4.13Å; V613-Y760 HydrophobicContact CG2-CE2 4.24Å; V613-L771 HydrophobicContact CB-CD1 4.37Å; V613-L771 HydrophobicContact CG1-CD1 4.01Å; V613-L771 HydrophobicContact CG1-CD2 4.23Å
614R92.9Very high89.3Confident49 Ų4935 Ų3519%0.18519%0.186CC..EExtended strand (participates in β ladder)trans-99.9120.2178.9-54-173.8-169.8-173.6-1.8108.2D612 V616 V742 V743 F744 A745D612-R614 WeakPolarHBondContact OD1-CG 3.39Å; D612-R614 IonicContact OD1-NE 3.07Å; D612-R614 IonicContact OD2-CZ 2.71Å; D612-R614 IonicContact OD2-NE 3.8Å; D612-R614 PolarHBondContact OD2-NE 2.96Å; D612-R614 IonicContact OD2-NH2 3.93Å; D612-R614 PolarHBondContact OD2-NH2 3.14Å; R614-V616 HydrophobicContact CB-CG2 4.08Å; R614-V742 HydrophobicContact CG-CG1 4.33Å; R614-V743 PolarHBondContact N-O 2.83Å; R614-F744 HydrophobicContact CB-CD1 4.22Å; R614-F744 WeakPolarHBondContact O-CA 3.39Å; R614-A745 PolarHBondContact O-N 3.14Å
615V92.5Very high89.1Confident30 Ų3037.8 Ų37.818%0.18220%0.199CC..EExtended strand (participates in β ladder)trans-83125.3170.9-1780000107.8A745 P747 L771 I774V615-A745 CarbonylContact C-O 3.54Å; V615-A745 VanDerWaalsContact CA-O 3.27Å; V615-A745 WeakPolarHBondContact CA-O 3.28Å; V615-P747 HydrophobicContact CG1-CG 3.77Å; V615-L771 HydrophobicContact CG2-CD2 3.36Å; V615-I774 HydrophobicContact CB-CD1 4.31Å; V615-I774 HydrophobicContact CG1-CD1 3.73Å; V615-I774 HydrophobicContact CG2-CD1 3.72Å
616V91.5Very high88.9Confident0 Ų037.6 Ų37.60%020%0.198CC..  trans-142.6122.6-171.9-167.70000107.8R614 E621 K622 A745 K746R614-V616 HydrophobicContact CB-CG2 4.08Å; V616-E621 HydrophobicContact CG1-CB 3.65Å; V616-E621 HydrophobicContact CG1-CG 3.65Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.2Å; V616-K622 HydrophobicContact CB-CG 3.93Å; V616-K622 HydrophobicContact CG1-CB 4.19Å; V616-K622 HydrophobicContact CG1-CG 3.51Å; V616-K622 VanDerWaalsContact CG1-N 3.34Å; V616-K622 HydrophobicContact CG2-CG 4.49Å; V616-A745 PolarHBondContact N-O 2.98Å; V616-K746 WeakPolarHBondContact O-CA 3.24Å
617A85.4Confident88.7Confident46 Ų4639.6 Ų39.638%0.3821%0.207SC..  trans-80.5-52.9-176.200000110.9E621A617-E621 PolarHBondContact N-OE2 2.69Å
618D87Confident88.7Confident108 Ų10841.9 Ų41.958%0.57823%0.226SC*.SBendtrans-105.9148.3-165.6-65.3-51.2000112.7E621 K622D618-E621 HydrophobicContact CB-CB 4.46Å; D618-E621 WeakPolarHBondContact O-CB 3.43Å; D618-E621 PolarHBondContact O-N 3.18Å; D618-K622 PolarHBondContact O-N 3.31Å; D618-K622 VanDerWaalsContact O-N 3.07Å
619E86.5Confident88.7Confident70 Ų7042 Ų4233%0.32723%0.226SC..Hα-helixtrans-64.5-36.7-179.9-64.9-64.1133.300113.6E621 K622 I623 Y710 K746E619-E621 VanDerWaalsContact C-N 3.31Å; E619-E621 PolarHBondContact O-N 2.65Å; E619-K622 WeakPolarHBondContact O-CB 3.38Å; E619-K622 PolarHBondContact O-N 3.45Å; E619-K622 WeakPolarHBondContact OE1-CE 3.35Å; E619-K622 IonicContact OE1-NZ 3.1Å; E619-K622 PolarHBondContact OE1-NZ 2.88Å; E619-K622 IonicContact OE2-NZ 3.76Å; E619-I623 WeakPolarHBondContact O-CG1 3.47Å; E619-I623 PolarHBondContact O-N 2.92Å; E619-Y710 VanDerWaalsContact OE2-CE1 3.28Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.34Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.31Å; E619-Y710 PolarHBondContact OE2-OH 2.97Å; E619-K746 WeakPolarHBondContact OE1-CE 3.41Å; E619-K746 IonicContact OE1-NZ 2.69Å; E619-K746 PolarHBondContact OE1-NZ 2.87Å
620P87.3Confident88.2Confident95 Ų9543.2 Ų43.262%0.61723%0.232SC*.Hα-helixtrans-58.1-40169.9-26.636.3000113.3I623 E624P620-I623 PolarHBondContact O-N 3.19Å; P620-I623 VanDerWaalsContact O-N 3.14Å; P620-E624 PolarHBondContact O-N 2.99Å
621E88.4Confident87.6Confident84 Ų8443.7 Ų43.739%0.39324%0.244SC..Hα-helixtrans-65.4-39.1177.4-168.5-173.1-145.900111.1V616 A617 D618 E619 I623 E624 H625V616-E621 HydrophobicContact CG1-CB 3.65Å; V616-E621 HydrophobicContact CG1-CG 3.65Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.2Å; A617-E621 PolarHBondContact N-OE2 2.69Å; D618-E621 HydrophobicContact CB-CB 4.46Å; D618-E621 WeakPolarHBondContact O-CB 3.43Å; D618-E621 PolarHBondContact O-N 3.18Å; E619-E621 VanDerWaalsContact C-N 3.31Å; E619-E621 PolarHBondContact O-N 2.65Å; E621-I623 VanDerWaalsContact C-N 3.3Å; E621-I623 PolarHBondContact O-N 2.81Å; E621-E624 PolarHBondContact O-N 3.29Å; E621-H625 PolarHBondContact O-CD2 2.92Å; E621-H625 PolarHBondContact O-N 2.64Å
622K89.6Confident86.8Confident2 Ų248.9 Ų48.91%0.00927%0.268CS..Hα-helixtrans-59.4-40.7170.9-74.9-171.8179.9177.10111.9V616 D618 E619 L626 Y710 S711 F744V616-K622 HydrophobicContact CB-CG 3.93Å; V616-K622 HydrophobicContact CG1-CB 4.19Å; V616-K622 HydrophobicContact CG1-CG 3.51Å; V616-K622 VanDerWaalsContact CG1-N 3.34Å; V616-K622 HydrophobicContact CG2-CG 4.49Å; D618-K622 PolarHBondContact O-N 3.31Å; D618-K622 VanDerWaalsContact O-N 3.07Å; E619-K622 WeakPolarHBondContact O-CB 3.38Å; E619-K622 PolarHBondContact O-N 3.45Å; E619-K622 WeakPolarHBondContact OE1-CE 3.35Å; E619-K622 IonicContact OE1-NZ 3.1Å; E619-K622 PolarHBondContact OE1-NZ 2.88Å; E619-K622 IonicContact OE2-NZ 3.76Å; K622-L626 WeakPolarHBondContact O-CB 3.43Å; K622-L626 PolarHBondContact O-N 3.16Å; K622-Y710 HydrophobicContact CB-CE2 4.17Å; K622-Y710 HydrophobicContact CD-CE1 3.92Å; K622-Y710 HydrophobicContact CD-CE2 4.12Å; K622-Y710 WeakPolarHBondContact CE-O 3.46Å; K622-Y710 PolarHBondContact NZ-O 3.25Å; K622-S711 PolarHBondContact NZ-OG 2.89Å; K622-F744 HydrophobicContact CB-CD2 4.18Å; K622-F744 HydrophobicContact CB-CE2 4.38Å; K622-F744 HydrophobicContact CD-CB 4.43Å; K622-F744 HydrophobicContact CD-CD2 4.14Å; K622-F744 HydrophobicContact CG-CD2 4.04Å
623I88.1Confident85.7Confident20 Ų2050.8 Ų50.810%0.10327%0.274CS..Hα-helixtrans-68.3-38178.6-63.9-63.1000111.5E619 P620 E621 L626 K627 L654 I661 Y710E619-I623 WeakPolarHBondContact O-CG1 3.47Å; E619-I623 PolarHBondContact O-N 2.92Å; P620-I623 PolarHBondContact O-N 3.19Å; P620-I623 VanDerWaalsContact O-N 3.14Å; E621-I623 VanDerWaalsContact C-N 3.3Å; E621-I623 PolarHBondContact O-N 2.81Å; I623-L626 HydrophobicContact CD1-CD2 4.44Å; I623-L626 PolarHBondContact O-N 2.95Å; I623-K627 HydrophobicContact CG2-CD 4.47Å; I623-K627 WeakPolarHBondContact O-CG 3.36Å; I623-K627 PolarHBondContact O-N 3.48Å; I623-L654 HydrophobicContact CD1-CD1 3.5Å; I623-I661 HydrophobicContact CG2-CD1 4.09Å; I623-Y710 HydrophobicContact CD1-CE2 4.49Å
624E87.3Confident84.3Confident102 Ų10258 Ų5848%0.47730%0.299SS..Hα-helixtrans-68.5-41.5173.4-61.5-43.6124.900112.7P620 E621 L626 K627 A628P620-E624 PolarHBondContact O-N 2.99Å; E621-E624 PolarHBondContact O-N 3.29Å; E624-L626 VanDerWaalsContact C-N 3.28Å; E624-L626 PolarHBondContact O-N 2.64Å; E624-K627 WeakPolarHBondContact O-CB 3.35Å; E624-K627 PolarHBondContact O-N 2.99Å; E624-K627 IonicContact OE1-NZ 3.5Å; E624-K627 PolarHBondContact OE1-NZ 3.39Å; E624-K627 WeakPolarHBondContact OE2-CD 3.45Å; E624-K627 IonicContact OE2-NZ 3.63Å; E624-K627 PolarHBondContact OE2-NZ 3.33Å; E624-A628 PolarHBondContact O-N 3.19Å
625H87.8Confident82.4Confident62 Ų6262.1 Ų62.129%0.28733%0.325SS..Hα-helixtrans-62.4-36172.4-79.7-45.4000112.8E621 L629 F744E621-H625 PolarHBondContact O-CD2 2.92Å; E621-H625 PolarHBondContact O-N 2.64Å; H625-L629 VanDerWaalsContact O-CB 3.25Å; H625-L629 WeakPolarHBondContact O-CB 3.16Å; H625-L629 PolarHBondContact O-N 2.86Å; H625-F744 HydrophobicContact CB-CE1 4.49Å; H625-F744 HydrophobicContact CB-CZ 4.25Å
626L88.3Confident80.4Confident0 Ų066.7 Ų66.70%034%0.342CS..Hα-helixtrans-68.6-42.3174.6178.656.5000112.1K622 I623 E624 L629 I630 M643 L654 L658 I708 Y710 F744K622-L626 WeakPolarHBondContact O-CB 3.43Å; K622-L626 PolarHBondContact O-N 3.16Å; I623-L626 HydrophobicContact CD1-CD2 4.44Å; I623-L626 PolarHBondContact O-N 2.95Å; E624-L626 VanDerWaalsContact C-N 3.28Å; E624-L626 PolarHBondContact O-N 2.64Å; L626-L629 PolarHBondContact O-N 2.86Å; L626-I630 HydrophobicContact CD1-CD1 3.71Å; L626-I630 HydrophobicContact CD1-CG1 4.07Å; L626-I630 HydrophobicContact CG-CD1 3.89Å; L626-I630 WeakPolarHBondContact O-CB 3.48Å; L626-I630 VanDerWaalsContact O-CG1 3.28Å; L626-I630 WeakPolarHBondContact O-CG1 3.28Å; L626-I630 PolarHBondContact O-N 2.87Å; L626-M643 HydrophobicContact CD1-CE 3.35Å; L626-M643 HydrophobicContact CD2-CE 3.65Å; L626-M643 HydrophobicContact CG-CE 4.15Å; L626-L654 HydrophobicContact CD2-CD1 4.36Å; L626-L658 HydrophobicContact CD2-CD2 3.68Å; L626-L658 HydrophobicContact CG-CD2 4.35Å; L626-I708 HydrophobicContact CD1-CD1 3.88Å; L626-Y710 HydrophobicContact CD2-CE2 4.46Å; L626-F744 HydrophobicContact CB-CE2 4.23Å; L626-F744 HydrophobicContact CB-CZ 4.32Å
627K83.7Confident78.5Confident73 Ų7370.8 Ų70.832%0.31738%0.376SS..Hα-helixtrans-57.1-49.6171.7-79.3164171.4177.50111.4I623 E624 L629 I630 A631 I661I623-K627 HydrophobicContact CG2-CD 4.47Å; I623-K627 WeakPolarHBondContact O-CG 3.36Å; I623-K627 PolarHBondContact O-N 3.48Å; E624-K627 WeakPolarHBondContact O-CB 3.35Å; E624-K627 PolarHBondContact O-N 2.99Å; E624-K627 IonicContact OE1-NZ 3.5Å; E624-K627 PolarHBondContact OE1-NZ 3.39Å; E624-K627 WeakPolarHBondContact OE2-CD 3.45Å; E624-K627 IonicContact OE2-NZ 3.63Å; E624-K627 PolarHBondContact OE2-NZ 3.33Å; K627-L629 PolarHBondContact O-N 3.47Å; K627-I630 PolarHBondContact O-N 3.43Å; K627-A631 VanDerWaalsContact O-CB 3.28Å; K627-A631 WeakPolarHBondContact O-CB 3.45Å; K627-A631 PolarHBondContact O-N 2.67Å; K627-I661 HydrophobicContact CD-CD1 4.21Å; K627-I661 HydrophobicContact CG-CD1 3.59Å
628A85.4Confident77.3Confident53 Ų5373.7 Ų73.744%0.43839%0.386SS..Hα-helixtrans-59.3-47.2-18000000111.5E624 I630 A631 E632E624-A628 PolarHBondContact O-N 3.19Å; A628-I630 PolarHBondContact O-N 3Å; A628-A631 PolarHBondContact O-N 3.33Å; A628-E632 VanDerWaalsContact O-CB 3.3Å; A628-E632 WeakPolarHBondContact O-CB 3.22Å; A628-E632 PolarHBondContact O-N 3.3Å
629L84.8Confident76.7Confident2 Ų271.5 Ų71.51%0.0137%0.372CS..Hα-helixtrans-63-40.6178.4-175.4162.4000112.4H625 L626 K627 R633 L706 I708 V742H625-L629 VanDerWaalsContact O-CB 3.25Å; H625-L629 WeakPolarHBondContact O-CB 3.16Å; H625-L629 PolarHBondContact O-N 2.86Å; L626-L629 PolarHBondContact O-N 2.86Å; K627-L629 PolarHBondContact O-N 3.47Å; L629-R633 WeakPolarHBondContact O-CB 3.29Å; L629-R633 WeakPolarHBondContact O-CG 3.26Å; L629-R633 PolarHBondContact O-N 2.83Å; L629-R633 VanDerWaalsContact O-N 3.17Å; L629-L706 HydrophobicContact CD2-CD1 4.36Å; L629-L706 HydrophobicContact CD2-CD2 3.59Å; L629-I708 HydrophobicContact CD1-CD1 4.49Å; L629-I708 HydrophobicContact CD2-CD1 3.76Å; L629-I708 HydrophobicContact CD2-CG1 4.42Å; L629-V742 HydrophobicContact CD1-CB 4.07Å; L629-V742 HydrophobicContact CD1-CG1 3.86Å; L629-V742 HydrophobicContact CD1-CG2 3.91Å
630I78.8Confident76.5Confident29 Ų2969.1 Ų69.115%0.14936%0.363CS..Hα-helixtrans-68.8-39.7174.3-69.5169.7000111.2L626 K627 A628 R633 R634 V663L626-I630 HydrophobicContact CD1-CD1 3.71Å; L626-I630 HydrophobicContact CD1-CG1 4.07Å; L626-I630 HydrophobicContact CG-CD1 3.89Å; L626-I630 WeakPolarHBondContact O-CB 3.48Å; L626-I630 VanDerWaalsContact O-CG1 3.28Å; L626-I630 WeakPolarHBondContact O-CG1 3.28Å; L626-I630 PolarHBondContact O-N 2.87Å; K627-I630 PolarHBondContact O-N 3.43Å; A628-I630 PolarHBondContact O-N 3Å; I630-R633 PolarHBondContact O-N 2.62Å; I630-R634 HydrophobicContact CG2-CG 4.39Å; I630-R634 WeakPolarHBondContact O-CB 3.44Å; I630-R634 WeakPolarHBondContact O-CG 3.44Å; I630-R634 PolarHBondContact O-N 3.36Å; I630-V663 HydrophobicContact CD1-CG1 4.08Å; I630-V663 HydrophobicContact CD1-CG2 4.33Å
631A77.6Confident76.5Confident54 Ų5465.2 Ų65.245%0.44634%0.338SS..Hα-helixtrans-68.4-43.7-18000000112.2K627 A628 R633 R634K627-A631 VanDerWaalsContact O-CB 3.28Å; K627-A631 WeakPolarHBondContact O-CB 3.45Å; K627-A631 PolarHBondContact O-N 2.67Å; A628-A631 PolarHBondContact O-N 3.33Å; A631-R633 VanDerWaalsContact C-N 3.32Å; A631-R633 PolarHBondContact O-N 3.48Å; A631-R634 PolarHBondContact O-N 2.76Å
632E75.4Confident76.7Confident113 Ų11361.2 Ų61.253%0.52832%0.32SS..Hα-helixtrans-55.3-46.7171.8-179.7177.9-155.900111.1A628 N635A628-E632 VanDerWaalsContact O-CB 3.3Å; A628-E632 WeakPolarHBondContact O-CB 3.22Å; A628-E632 PolarHBondContact O-N 3.3Å; E632-N635 PolarHBondContact O-ND2 2.67Å
633R69.2Low77Confident59 Ų5961.1 Ų61.122%0.22332%0.319CS..Hα-helixtrans-72.4-27.6178.4-73.3-77.9175.7179.4-4.8114.3L629 I630 A631 N635 F636 E639 L706L629-R633 WeakPolarHBondContact O-CB 3.29Å; L629-R633 WeakPolarHBondContact O-CG 3.26Å; L629-R633 PolarHBondContact O-N 2.83Å; L629-R633 VanDerWaalsContact O-N 3.17Å; I630-R633 PolarHBondContact O-N 2.62Å; A631-R633 VanDerWaalsContact C-N 3.32Å; A631-R633 PolarHBondContact O-N 3.48Å; R633-N635 PolarHBondContact O-N 2.85Å; R633-N635 VanDerWaalsContact O-N 3.12Å; R633-F636 PolarHBondContact O-N 3.12Å; R633-F636 VanDerWaalsContact O-O 3.13Å; R633-E639 VanDerWaalsContact CD-OE2 3.27Å; R633-E639 WeakPolarHBondContact CD-OE2 3.44Å; R633-E639 IonicContact CZ-OE2 3.25Å; R633-E639 IonicContact NE-OE2 2.98Å; R633-E639 IonicContact NH1-OE1 2.67Å; R633-E639 IonicContact NH1-OE2 3.94Å; R633-E639 PolarHBondContact NH1-OE2 3.5Å; R633-L706 HydrophobicContact CG-CD2 4.19Å
634R62.4Low77.4Confident166 Ų16660.2 Ų60.263%0.62631%0.314SS*.Hα-helixtrans-61.2-19.5177-86.6175.8178.6-172.40.4113.8I630 A631 F636I630-R634 HydrophobicContact CG2-CG 4.39Å; I630-R634 WeakPolarHBondContact O-CB 3.44Å; I630-R634 WeakPolarHBondContact O-CG 3.44Å; I630-R634 PolarHBondContact O-N 3.36Å; A631-R634 PolarHBondContact O-N 2.76Å; R634-F636 PolarHBondContact O-N 3.31Å
635N52.6Low77.7Confident137 Ų13755.3 Ų55.373%0.73329%0.292SS*.THydrogen-bonded Turntrans-71.3-17.4172-61.1-37.2000113E632 R633E632-N635 PolarHBondContact O-ND2 2.67Å; R633-N635 PolarHBondContact O-N 2.85Å; R633-N635 VanDerWaalsContact O-N 3.12Å
636F52.5Low77.8Confident125 Ų12554.4 Ų54.455%0.54829%0.292SS..SBendtrans-106.4101.6176.3-57.1-86.6000109R633 R634 E639R633-F636 PolarHBondContact O-N 3.12Å; R633-F636 VanDerWaalsContact O-O 3.13Å; R634-F636 PolarHBondContact O-N 3.31Å; F636-E639 HydrophobicContact CB-CG 4.5Å
637A51Low77.9Confident86 Ų8657.5 Ų57.571%0.71131%0.309SS*.THydrogen-bonded Turntrans-64.3137.9-170.800000113.2
638N60.7Low78.3Confident108 Ų10856.9 Ų56.958%0.57831%0.313SS*.THydrogen-bonded Turntrans65.731.8171.1-57.7-32000117P640 P685N638-P640 WeakPolarHBondContact O-CD 3.25Å; N638-P685 HydrophobicContact CB-CB 4.48Å
639E73.2Confident78.7Confident61 Ų6158.5 Ų58.529%0.28532%0.318SS..  trans-87.7118.2169.1-73.6-157.5144.200113.1R633 F636 P685 P705R633-E639 VanDerWaalsContact CD-OE2 3.27Å; R633-E639 WeakPolarHBondContact CD-OE2 3.44Å; R633-E639 IonicContact CZ-OE2 3.25Å; R633-E639 IonicContact NE-OE2 2.98Å; R633-E639 IonicContact NH1-OE1 2.67Å; R633-E639 IonicContact NH1-OE2 3.94Å; R633-E639 PolarHBondContact NH1-OE2 3.5Å; F636-E639 HydrophobicContact CB-CG 4.5Å; E639-P685 CarbonylContact C-O 3.57Å; E639-P705 HydrophobicContact CB-CG 3.63Å; E639-P705 HydrophobicContact CG-CB 4.4Å; E639-P705 HydrophobicContact CG-CG 3.85Å
640P82.1Confident79.1Confident21 Ų2159.9 Ų59.914%0.13632%0.324CS..  trans-80.7139177.427.9-31.6000112.2N638 W680 P685 P705N638-P640 WeakPolarHBondContact O-CD 3.25Å; P640-W680 HydrophobicContact CB-CH2 4.05Å; P640-W680 HydrophobicContact CB-CZ2 3.6Å; P640-P685 VanDerWaalsContact CA-O 3.27Å; P640-P685 WeakPolarHBondContact CA-O 3.46Å; P640-P685 WeakPolarHBondContact CB-O 3.29Å; P640-P685 WeakPolarHBondContact CD-O 3.48Å; P640-P685 VanDerWaalsContact N-O 3.08Å; P640-P705 VanDerWaalsContact O-CD 3.28Å; P640-P705 WeakPolarHBondContact O-CD 3.46Å
641A88.2Confident79.9Confident13 Ų1358.5 Ų58.511%0.10732%0.317CS..EExtended strand (participates in β ladder)trans-118137.6178.700000111.8G687 L688 L689 L706A641-G687 PolarHBondContact N-O 3.08Å; A641-L688 HydrophobicContact CB-CD1 3.73Å; A641-L689 PolarHBondContact O-N 3.31Å; A641-L706 HydrophobicContact CB-CB 4.29Å; A641-L706 HydrophobicContact CB-CD2 3.83Å; A641-L706 HydrophobicContact CB-CG 4.13Å
642V93Very high80.6Confident0 Ų060.5 Ų60.50%032%0.32CS..EExtended strand (participates in β ladder)trans-112.5136.2171.3-177.50000109.4W680 L689 V691 C701 I704 L706 L707 I708 L725V642-W680 HydrophobicContact CG2-CH2 3.63Å; V642-W680 HydrophobicContact CG2-CZ2 4.17Å; V642-W680 HydrophobicContact CG2-CZ3 4.44Å; V642-L689 HydrophobicContact CG2-CB 4.5Å; V642-L689 HydrophobicContact CG2-CD2 4.47Å; V642-V691 HydrophobicContact CG1-CG1 4.44Å; V642-V691 HydrophobicContact CG1-CG2 3.91Å; V642-C701 HydrophobicContact CG2-CB 4.27Å; V642-I704 HydrophobicContact CB-CD1 4.4Å; V642-I704 HydrophobicContact CG2-CD1 4.33Å; V642-I704 HydrophobicContact CG2-CG2 3.78Å; V642-L706 PolarHBondContact N-O 3.49Å; V642-L706 VanDerWaalsContact N-O 3.12Å; V642-L707 HydrophobicContact CB-CD1 4.25Å; V642-L707 HydrophobicContact CG1-CD1 4.33Å; V642-L707 CarbonylContact O-C 3.51Å; V642-L707 WeakPolarHBondContact O-CA 3.49Å; V642-I708 PolarHBondContact O-N 2.93Å; V642-L725 HydrophobicContact CB-CD1 4.5Å; V642-L725 HydrophobicContact CG1-CD1 3.92Å
643M94.6Very high81.4Confident0 Ų059.7 Ų59.70%032%0.319CS..EExtended strand (participates in β ladder)trans-124.7125.3177.7178.9-175.6-68.200110.6L626 L654 L688 L689 L690 V691 I708 Y710L626-M643 HydrophobicContact CD1-CE 3.35Å; L626-M643 HydrophobicContact CD2-CE 3.65Å; L626-M643 HydrophobicContact CG-CE 4.15Å; M643-L654 HydrophobicContact SD-CD2 3.4Å; M643-L654 WeakPolarHBondContact SD-CD2 3.34Å; M643-L654 HydrophobicContact SD-CG 4.45Å; M643-L688 HydrophobicContact CB-CD1 4.01Å; M643-L688 HydrophobicContact CE-CD1 4.3Å; M643-L688 HydrophobicContact CE-CD2 3.91Å; M643-L689 PolarHBondContact N-O 3.33Å; M643-L690 HydrophobicContact CB-CD2 4Å; M643-L690 HydrophobicContact CG-CD2 4.24Å; M643-L690 HydrophobicContact SD-CD2 3.62Å; M643-V691 PolarHBondContact O-N 3.03Å; M643-I708 CarbonylContact C-O 3.51Å; M643-I708 VanDerWaalsContact CA-O 3.28Å; M643-I708 WeakPolarHBondContact CA-O 3.42Å; M643-I708 HydrophobicContact CB-CB 4.16Å; M643-I708 HydrophobicContact CE-CB 4.17Å; M643-I708 HydrophobicContact CE-CD1 3.74Å; M643-I708 HydrophobicContact CE-CG2 3.98Å; M643-I708 HydrophobicContact CG-CB 4.08Å; M643-I708 HydrophobicContact CG-CG2 4.25Å; M643-Y710 HydrophobicContact CE-CD2 4.5Å; M643-Y710 HydrophobicContact SD-CD2 3.98Å; M643-Y710 HydrophobicContact SD-CG 4.3Å
644V96.4Very high82.5Confident0 Ų057.1 Ų57.10%031%0.31CS..EExtended strand (participates in β ladder)trans-103.6118-179.7-163.90000110.2V691 V696 L707 I708 Y710 R722V644-V691 WeakPolarHBondContact CA-O 3.47Å; V644-V691 HydrophobicContact CB-CG2 4.26Å; V644-V691 HydrophobicContact CG1-CG2 4.23Å; V644-V691 HydrophobicContact CG2-CG2 3.83Å; V644-V696 HydrophobicContact CG1-CG2 4.3Å; V644-V696 HydrophobicContact CG2-CG2 4.44Å; V644-L707 HydrophobicContact CG2-CD1 3.89Å; V644-I708 PolarHBondContact N-O 2.75Å; V644-Y710 PolarHBondContact O-N 2.92Å; V644-R722 HydrophobicContact CB-CG 4.33Å; V644-R722 HydrophobicContact CG1-CG 4.09Å; V644-R722 VanDerWaalsContact CG1-NE 3.33Å; V644-R722 HydrophobicContact CG2-CB 4.4Å; V644-R722 HydrophobicContact CG2-CG 4.14Å; V644-R722 PolarHBondContact O-NH1 3.38Å
645C94.6Very high83.9Confident0 Ų053.6 Ų53.60%030%0.296CS..EExtended strand (participates in β ladder)trans-96.2162.7170.1-62.30000110.4E650 V651 V691C645-E650 HydrophobicContact CB-CB 4.26Å; C645-E650 HydrophobicContact CB-CG 3.99Å; C645-E650 WeakPolarHBondContact CB-OE2 3.32Å; C645-V651 HydrophobicContact CB-CG2 3.57Å; C645-V691 PolarHBondContact N-O 2.82Å
646S89.3Confident85.7Confident42 Ų4255.3 Ų55.329%0.29429%0.292SS..SBendtrans-70.2-35.817865.50000113.2E650S646-E650 WeakPolarHBondContact CB-OE2 3.38Å; S646-E650 PolarHBondContact N-OE2 2.89Å; S646-E650 PolarHBondContact OG-OE2 2.92Å
647N90.4Very high87.4Confident66 Ų6651.8 Ų51.835%0.35328%0.283SS..SBendtrans-152.9168.5-173.670.378.8000112.9T649 E650 V651 T692N647-T649 WeakPolarHBondContact OD1-CA 3.42Å; N647-T649 VanDerWaalsContact OD1-CB 3.26Å; N647-T649 WeakPolarHBondContact OD1-CB 3.38Å; N647-T649 PolarHBondContact OD1-N 2.94Å; N647-E650 PolarHBondContact O-N 2.81Å; N647-E650 PolarHBondContact OD1-N 3Å; N647-V651 PolarHBondContact O-N 3.19Å; N647-T692 VanDerWaalsContact C-CG2 3.4Å
648S92.7Very high89.2Confident59 Ų5947.7 Ų47.741%0.41325%0.25SC..Hα-helixtrans-70.3-30.4-176.150.60000114.2V651 L652S648-V651 PolarHBondContact O-N 3.49Å; S648-L652 WeakPolarHBondContact O-CG 3.02Å; S648-L652 PolarHBondContact O-N 3.44Å
649T93.6Very high90.5Very high88 Ų8846.9 Ų46.954%0.5424%0.242SC..Hα-helixtrans-65.6-43.7175.1-52.50000110.8N647 V651 L652 L653N647-T649 WeakPolarHBondContact OD1-CA 3.42Å; N647-T649 VanDerWaalsContact OD1-CB 3.26Å; N647-T649 WeakPolarHBondContact OD1-CB 3.38Å; N647-T649 PolarHBondContact OD1-N 2.94Å; T649-V651 VanDerWaalsContact C-N 3.34Å; T649-V651 PolarHBondContact O-N 3.37Å; T649-L652 PolarHBondContact O-N 2.77Å; T649-L653 HydrophobicContact CG2-CD1 4.24Å; T649-L653 WeakPolarHBondContact O-CG 3.34Å; T649-L653 PolarHBondContact O-N 3.34Å
650E93.2Very high91.2Very high31 Ų3148.2 Ų48.215%0.14526%0.264CS..Hα-helixtrans-59.1-43.4173.8-175.6175.8-142.300111.4C645 S646 N647 L652 L653 L654 Y710 S711C645-E650 HydrophobicContact CB-CB 4.26Å; C645-E650 HydrophobicContact CB-CG 3.99Å; C645-E650 WeakPolarHBondContact CB-OE2 3.32Å; S646-E650 WeakPolarHBondContact CB-OE2 3.38Å; S646-E650 PolarHBondContact N-OE2 2.89Å; S646-E650 PolarHBondContact OG-OE2 2.92Å; N647-E650 PolarHBondContact O-N 2.81Å; N647-E650 PolarHBondContact OD1-N 3Å; E650-L652 PolarHBondContact O-N 2.66Å; E650-L653 PolarHBondContact O-N 3.36Å; E650-L654 WeakPolarHBondContact O-CB 3.33Å; E650-L654 PolarHBondContact O-N 3.46Å; E650-Y710 HydrophobicContact CG-CD1 4.4Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.46Å; E650-S711 VanDerWaalsContact OE1-CB 3.22Å; E650-S711 WeakPolarHBondContact OE1-CB 3.34Å; E650-S711 PolarHBondContact OE1-OG 3.28Å
651V94.6Very high91.1Very high0 Ų049.8 Ų49.80%027%0.271CS..Hα-helixtrans-59.1-43.2173.81720000112.2C645 N647 S648 T649 R655 I667 V669 L690 T692C645-V651 HydrophobicContact CB-CG2 3.57Å; N647-V651 PolarHBondContact O-N 3.19Å; S648-V651 PolarHBondContact O-N 3.49Å; T649-V651 VanDerWaalsContact C-N 3.34Å; T649-V651 PolarHBondContact O-N 3.37Å; V651-R655 WeakPolarHBondContact O-CB 3.36Å; V651-R655 PolarHBondContact O-N 3.06Å; V651-I667 HydrophobicContact CG1-CB 4.47Å; V651-I667 HydrophobicContact CG1-CD1 3.91Å; V651-I667 HydrophobicContact CG1-CG1 3.94Å; V651-I667 HydrophobicContact CG1-CG2 3.8Å; V651-V669 HydrophobicContact CB-CG1 4.07Å; V651-V669 HydrophobicContact CG1-CG1 3.87Å; V651-V669 HydrophobicContact CG2-CG1 4.11Å; V651-L690 HydrophobicContact CG1-CB 3.71Å; V651-L690 HydrophobicContact CG1-CD1 4.13Å; V651-L690 HydrophobicContact CG2-CB 4.49Å; V651-T692 HydrophobicContact CG2-CG2 4.12Å
652L92.8Very high90.8Very high95 Ų9551.9 Ų51.950%0.49729%0.293SS..Hα-helixtrans-70.2-39.2-179.4-71.4173.4000113S648 T649 E650 R656 I667S648-L652 WeakPolarHBondContact O-CG 3.02Å; S648-L652 PolarHBondContact O-N 3.44Å; T649-L652 PolarHBondContact O-N 2.77Å; E650-L652 PolarHBondContact O-N 2.66Å; L652-R656 WeakPolarHBondContact O-CG 3.33Å; L652-R656 PolarHBondContact O-N 3.2Å; L652-I667 HydrophobicContact CD2-CD1 4.41Å
653L92.3Very high90.3Very high96 Ų9652.5 Ų52.550%0.50330%0.297SS..Hα-helixtrans-65.7-49.4174.4-69.5173.1000110.7T649 E650 R655 R656 S657T649-L653 HydrophobicContact CG2-CD1 4.24Å; T649-L653 WeakPolarHBondContact O-CG 3.34Å; T649-L653 PolarHBondContact O-N 3.34Å; E650-L653 PolarHBondContact O-N 3.36Å; L653-R655 VanDerWaalsContact C-N 3.31Å; L653-R655 PolarHBondContact O-N 3.33Å; L653-R656 WeakPolarHBondContact O-CB 3.49Å; L653-R656 PolarHBondContact O-N 3.06Å; L653-S657 PolarHBondContact O-N 3.39Å; L653-S657 VanDerWaalsContact O-N 3.1Å; L653-S657 PolarHBondContact O-OG 3.26Å
654L91.9Very high89.7Confident6 Ų658.6 Ų58.63%0.03133%0.33CS..Hα-helixtrans-63.1-35.7-179.4-175.153.4000112.3I623 L626 M643 E650 R656 S657 L658 Y710I623-L654 HydrophobicContact CD1-CD1 3.5Å; L626-L654 HydrophobicContact CD2-CD1 4.36Å; M643-L654 HydrophobicContact SD-CD2 3.4Å; M643-L654 WeakPolarHBondContact SD-CD2 3.34Å; M643-L654 HydrophobicContact SD-CG 4.45Å; E650-L654 WeakPolarHBondContact O-CB 3.33Å; E650-L654 PolarHBondContact O-N 3.46Å; L654-R656 VanDerWaalsContact C-N 3.32Å; L654-R656 PolarHBondContact O-N 3.22Å; L654-S657 PolarHBondContact O-N 3.28Å; L654-L658 HydrophobicContact CD1-CD1 4.25Å; L654-L658 HydrophobicContact CD1-CG 4.21Å; L654-L658 HydrophobicContact CG-CD1 3.95Å; L654-L658 HydrophobicContact CG-CG 4.41Å; L654-L658 WeakPolarHBondContact O-CB 3.47Å; L654-L658 VanDerWaalsContact O-CG 3.27Å; L654-L658 WeakPolarHBondContact O-CG 3.22Å; L654-L658 PolarHBondContact O-N 3.39Å; L654-Y710 HydrophobicContact CD1-CD2 4.32Å; L654-Y710 HydrophobicContact CD1-CE2 3.69Å; L654-Y710 HydrophobicContact CD2-CD1 3.95Å; L654-Y710 HydrophobicContact CD2-CD2 3.5Å; L654-Y710 VanDerWaalsContact CD2-CD2 3.5Å; L654-Y710 HydrophobicContact CD2-CE1 4.15Å; L654-Y710 HydrophobicContact CD2-CE2 3.69Å; L654-Y710 HydrophobicContact CD2-CG 3.64Å; L654-Y710 HydrophobicContact CG-CE2 4.37Å
655R91.4Very high89.2Confident91 Ų9158.9 Ų58.934%0.34333%0.332SS..Hα-helixtrans-57.4-43.9171.7-164.2-145-169.7135.17.3112V651 L653 L658 Q659 I667 L690V651-R655 WeakPolarHBondContact O-CB 3.36Å; V651-R655 PolarHBondContact O-N 3.06Å; L653-R655 VanDerWaalsContact C-N 3.31Å; L653-R655 PolarHBondContact O-N 3.33Å; R655-L658 PolarHBondContact O-N 3.15Å; R655-Q659 WeakPolarHBondContact O-CB 3.5Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.42Å; R655-Q659 PolarHBondContact O-N 3.39Å; R655-Q659 PolarHBondContact O-OE1 3.3Å; R655-I667 HydrophobicContact CB-CD1 3.99Å; R655-I667 HydrophobicContact CG-CD1 3.86Å; R655-L690 HydrophobicContact CB-CD1 4.04Å
656R91.3Very high89Confident173 Ų17360.6 Ų60.665%0.65334%0.34SS*.Hα-helixtrans-64.6-45.8178.6-65.7171-177.9175.90.9110.9L652 L653 L654 L658 Q659 A660L652-R656 WeakPolarHBondContact O-CG 3.33Å; L652-R656 PolarHBondContact O-N 3.2Å; L653-R656 WeakPolarHBondContact O-CB 3.49Å; L653-R656 PolarHBondContact O-N 3.06Å; L654-R656 VanDerWaalsContact C-N 3.32Å; L654-R656 PolarHBondContact O-N 3.22Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.37Å; R656-Q659 PolarHBondContact O-N 2.91Å; R656-A660 WeakPolarHBondContact O-CB 3.36Å; R656-A660 PolarHBondContact O-N 3.37Å
657S89.2Confident89.1Confident52 Ų5259.4 Ų59.436%0.36433%0.33SS..Hα-helixtrans-59.2-42.4176-56.10000112.1L653 L654 A660 I661L653-S657 PolarHBondContact O-N 3.39Å; L653-S657 VanDerWaalsContact O-N 3.1Å; L653-S657 PolarHBondContact O-OG 3.26Å; L654-S657 PolarHBondContact O-N 3.28Å; S657-A660 PolarHBondContact O-N 3.03Å; S657-I661 WeakPolarHBondContact O-CG1 3.41Å; S657-I661 PolarHBondContact O-N 3.23Å
658L87.4Confident89.2Confident0 Ų056.2 Ų56.20%031%0.313CS..Hα-helixtrans-66.5-42.6176.6-74.3167000112.6L626 L654 R655 R656 A660 I661 G662 V663 A665 L688 L690L626-L658 HydrophobicContact CD2-CD2 3.68Å; L626-L658 HydrophobicContact CG-CD2 4.35Å; L654-L658 HydrophobicContact CD1-CD1 4.25Å; L654-L658 HydrophobicContact CD1-CG 4.21Å; L654-L658 HydrophobicContact CG-CD1 3.95Å; L654-L658 HydrophobicContact CG-CG 4.41Å; L654-L658 WeakPolarHBondContact O-CB 3.47Å; L654-L658 VanDerWaalsContact O-CG 3.27Å; L654-L658 WeakPolarHBondContact O-CG 3.22Å; L654-L658 PolarHBondContact O-N 3.39Å; R655-L658 PolarHBondContact O-N 3.15Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.37Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 3.1Å; L658-I661 HydrophobicContact CD2-CD1 4.16Å; L658-I661 CarbonylContact O-C 3.51Å; L658-I661 WeakPolarHBondContact O-CG1 3.28Å; L658-I661 PolarHBondContact O-N 2.88Å; L658-I661 VanDerWaalsContact O-N 3.17Å; L658-G662 PolarHBondContact O-N 3.21Å; L658-V663 CarbonylContact C-O 3.56Å; L658-V663 VanDerWaalsContact C-O 3.27Å; L658-V663 HydrophobicContact CB-CB 4.13Å; L658-V663 HydrophobicContact CB-CG1 4.32Å; L658-V663 HydrophobicContact CD2-CB 3.97Å; L658-V663 HydrophobicContact CD2-CG1 3.84Å; L658-V663 HydrophobicContact CD2-CG2 4.46Å; L658-V663 WeakPolarHBondContact O-CA 3.34Å; L658-V663 PolarHBondContact O-N 3.26Å; L658-A665 HydrophobicContact CD1-CB 4.22Å; L658-L688 HydrophobicContact CD1-CD2 3.76Å; L658-L690 HydrophobicContact CD1-CD1 4.19Å; L658-L690 HydrophobicContact CD1-CD2 4.02Å
659Q88.1Confident89.1Confident90 Ų9055.5 Ų55.542%0.42131%0.306SS..Hα-helixtrans-63.8-39.3176.6-74.5175.5-58.300111.9R655 R656 I661 G662R655-Q659 WeakPolarHBondContact O-CB 3.5Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.42Å; R655-Q659 PolarHBondContact O-N 3.39Å; R655-Q659 PolarHBondContact O-OE1 3.3Å; R656-Q659 PolarHBondContact O-N 2.91Å; Q659-I661 PolarHBondContact O-N 2.78Å; Q659-G662 PolarHBondContact O-N 3.28Å; Q659-G662 VanDerWaalsContact O-N 3.16Å
660A87.4Confident89Confident89 Ų8953.7 Ų53.774%0.73630%0.297SS*.Hα-helixtrans-62.9-19.9175.900000113.9R656 S657 L658R656-A660 WeakPolarHBondContact O-CB 3.36Å; R656-A660 PolarHBondContact O-N 3.37Å; S657-A660 PolarHBondContact O-N 3.03Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 3.1Å
661I81.8Confident88.5Confident55 Ų5556.7 Ų56.728%0.28231%0.311SS..THydrogen-bonded Turntrans-108.616.5177.866.2168.9000113.2I623 K627 S657 L658 Q659 V663I623-I661 HydrophobicContact CG2-CD1 4.09Å; K627-I661 HydrophobicContact CD-CD1 4.21Å; K627-I661 HydrophobicContact CG-CD1 3.59Å; S657-I661 WeakPolarHBondContact O-CG1 3.41Å; S657-I661 PolarHBondContact O-N 3.23Å; L658-I661 HydrophobicContact CD2-CD1 4.16Å; L658-I661 CarbonylContact O-C 3.51Å; L658-I661 WeakPolarHBondContact O-CG1 3.28Å; L658-I661 PolarHBondContact O-N 2.88Å; L658-I661 VanDerWaalsContact O-N 3.17Å; Q659-I661 PolarHBondContact O-N 2.78Å; I661-V663 HydrophobicContact CD1-CG2 4.25Å; I661-V663 HydrophobicContact CG1-CB 4.45Å; I661-V663 HydrophobicContact CG1-CG2 4.14Å
662G81.4Confident88.1Confident57 Ų5760.9 Ų60.959%0.58835%0.346SS*.THydrogen-bonded Turntrans73.126.4176.700000114.7L658 Q659L658-G662 PolarHBondContact O-N 3.21Å; Q659-G662 PolarHBondContact O-N 3.28Å; Q659-G662 VanDerWaalsContact O-N 3.16Å
663V81.7Confident87.7Confident13 Ų1357.6 Ų57.68%0.07933%0.331CS..  trans-110.3107.7174177.70000109.5I630 L658 I661I630-V663 HydrophobicContact CD1-CG1 4.08Å; I630-V663 HydrophobicContact CD1-CG2 4.33Å; L658-V663 CarbonylContact C-O 3.56Å; L658-V663 VanDerWaalsContact C-O 3.27Å; L658-V663 HydrophobicContact CB-CB 4.13Å; L658-V663 HydrophobicContact CB-CG1 4.32Å; L658-V663 HydrophobicContact CD2-CB 3.97Å; L658-V663 HydrophobicContact CD2-CG1 3.84Å; L658-V663 HydrophobicContact CD2-CG2 4.46Å; L658-V663 WeakPolarHBondContact O-CA 3.34Å; L658-V663 PolarHBondContact O-N 3.26Å; I661-V663 HydrophobicContact CD1-CG2 4.25Å; I661-V663 HydrophobicContact CG1-CB 4.45Å; I661-V663 HydrophobicContact CG1-CG2 4.14Å
664N81.6Confident87.4Confident128 Ų12856.2 Ų56.268%0.68432%0.319SS*.  trans-76.4129.9170.2-76.4-36.1000110.3
665A87.1Confident87Confident6 Ų659.7 Ų59.75%0.0534%0.344CS..EExtended strand (participates in β ladder)trans-130.7137.1176.900000111.2L658 L688 L690L658-A665 HydrophobicContact CD1-CB 4.22Å; A665-L688 CarbonylContact C-O 3.24Å; A665-L688 VanDerWaalsContact CA-O 3.3Å; A665-L688 WeakPolarHBondContact CA-O 3.33Å; A665-L688 HydrophobicContact CB-CB 4.12Å; A665-L688 HydrophobicContact CB-CD2 4.29Å; A665-L688 HydrophobicContact CB-CG 4.37Å; A665-L690 HydrophobicContact CB-CD1 4.11Å; A665-L690 HydrophobicContact CB-CD2 4.41Å; A665-L690 HydrophobicContact CB-CG 3.95Å
666H89.8Confident86.7Confident36 Ų3657.7 Ų57.717%0.16734%0.34CS..EExtended strand (participates in β ladder)trans-83.9160.3171.1-69.6-99.3000109.8E679 W680 Q683 S684 L688 L689 L690H666-E679 VanDerWaalsContact CE1-CG 3.44Å; H666-E679 WeakPolarHBondContact CE1-CG 3.38Å; H666-W680 HydrophobicContact CB-CB 3.95Å; H666-W680 HydrophobicContact CB-CG 4.29Å; H666-W680 AromaticContact CD2-CD1 3.69Å; H666-Q683 PolarHBondContact CE1-OE1 3.21Å; H666-S684 WeakPolarHBondContact NE2-CB 3.48Å; H666-S684 PolarHBondContact NE2-OG 3.46Å; H666-L688 PolarHBondContact N-O 2.99Å; H666-L689 HydrophobicContact CB-CD1 3.84Å; H666-L690 PolarHBondContact O-N 3.25Å
667I92.4Very high86.5Confident16 Ų1649.8 Ų49.88%0.08231%0.311CS..EExtended strand (participates in β ladder)trans-131.8134.3-174.9-67.3180000111V651 L652 R655 V669 N676 L690V651-I667 HydrophobicContact CG1-CB 4.47Å; V651-I667 HydrophobicContact CG1-CD1 3.91Å; V651-I667 HydrophobicContact CG1-CG1 3.94Å; V651-I667 HydrophobicContact CG1-CG2 3.8Å; L652-I667 HydrophobicContact CD2-CD1 4.41Å; R655-I667 HydrophobicContact CB-CD1 3.99Å; R655-I667 HydrophobicContact CG-CD1 3.86Å; I667-V669 HydrophobicContact CG2-CG1 3.77Å; I667-V669 HydrophobicContact CG2-CG2 4.43Å; I667-N676 WeakPolarHBondContact O-CB 3.43Å; I667-N676 PolarHBondContact O-ND2 3.02Å; I667-L690 WeakPolarHBondContact CA-O 3.41Å; I667-L690 HydrophobicContact CG1-CB 4.35Å; I667-L690 HydrophobicContact CG1-CD1 4.39Å
668C92Very high86.1Confident0 Ų050.4 Ų50.40%032%0.319CS..EExtended strand (participates in β ladder)trans-136.3101.8165.4-169.30000110.2C673 V677 L689 L690 V691 V695C668-C673 HydrophobicContact CB-CB 4.27Å; C668-C673 PolarHBondContact SG-O 2.83Å; C668-V677 HydrophobicContact CB-CG2 4Å; C668-L689 HydrophobicContact CB-CD1 4.33Å; C668-L690 PolarHBondContact N-O 3.02Å; C668-V691 HydrophobicContact CB-CG1 4.08Å; C668-V691 VanDerWaalsContact O-CA 3.32Å; C668-V691 WeakPolarHBondContact O-CA 3.36Å; C668-V695 WeakPolarHBondContact O-CG2 3.39Å
669V90.8Very high85.9Confident43 Ų4353.5 Ų53.526%0.26133%0.334SS..SBendtrans-110.8-7.3-179.3-650000114V651 I667 T692V651-V669 HydrophobicContact CB-CG1 4.07Å; V651-V669 HydrophobicContact CG1-CG1 3.87Å; V651-V669 HydrophobicContact CG2-CG1 4.11Å; I667-V669 HydrophobicContact CG2-CG1 3.77Å; I667-V669 HydrophobicContact CG2-CG2 4.43Å; V669-T692 HydrophobicContact CB-CG2 4.45Å; V669-T692 HydrophobicContact CG1-CG2 4.13Å; V669-T692 PolarHBondContact O-OG1 3.38Å
670S89.9Confident85.8Confident51 Ų5149.2 Ų49.236%0.35731%0.314SS..SBendtrans-153.3167.5176.970.90000110.4A672 C673S670-A672 PolarHBondContact O-N 3.31Å; S670-C673 WeakPolarHBondContact O-CB 3.36Å; S670-C673 PolarHBondContact O-N 3.07Å
671E84.4Confident85.5Confident93 Ų9348.6 Ų48.644%0.43530%0.298SS..G310 helixtrans-61.7-29.2-179.2-52.3-144.7108.200113.1C673 Y674 R698E671-C673 PolarHBondContact O-N 2.88Å; E671-Y674 VanDerWaalsContact CA-CE2 3.49Å; E671-Y674 HydrophobicContact CB-CD2 3.96Å; E671-Y674 HydrophobicContact CB-CE2 3.45Å; E671-Y674 VanDerWaalsContact CB-CE2 3.45Å; E671-Y674 HydrophobicContact CG-CE2 3.7Å; E671-Y674 WeakPolarHBondContact CG-OH 3.26Å; E671-Y674 WeakPolarHBondContact O-CD2 3.28Å; E671-Y674 PolarHBondContact O-N 2.85Å; E671-Y674 VanDerWaalsContact O-N 3.13Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.36Å; E671-Y674 PolarHBondContact OE1-OH 3.1Å; E671-R698 WeakPolarHBondContact OE1-CD 3.08Å; E671-R698 IonicContact OE1-CZ 2.75Å; E671-R698 IonicContact OE1-NE 3.22Å; E671-R698 IonicContact OE1-NH1 2.69Å; E671-R698 PolarHBondContact OE1-NH1 3.13Å; E671-R698 IonicContact OE2-CZ 3.69Å; E671-R698 IonicContact OE2-NH1 2.82Å; E671-R698 PolarHBondContact OE2-NH1 3.34Å
672A84.6Confident85.4Confident89 Ų8953.7 Ų53.774%0.73631%0.313SS*.G310 helixtrans-62.8-19.3174.100000112.9S670S670-A672 PolarHBondContact O-N 3.31Å
673C85.5Confident84.8Confident26 Ų2655.8 Ų55.818%0.17631%0.308CS..G310 helixtrans-948.5177-57.50000113.8C668 S670 E671 S675 N676C668-C673 HydrophobicContact CB-CB 4.27Å; C668-C673 PolarHBondContact SG-O 2.83Å; S670-C673 WeakPolarHBondContact O-CB 3.36Å; S670-C673 PolarHBondContact O-N 3.07Å; E671-C673 PolarHBondContact O-N 2.88Å; C673-S675 PolarHBondContact O-N 2.94Å; C673-N676 VanDerWaalsContact O-CB 3.27Å; C673-N676 WeakPolarHBondContact O-CB 3.44Å; C673-N676 PolarHBondContact O-N 3Å
674Y86.4Confident84Confident66 Ų6656.6 Ų56.626%0.25931%0.314SS..Hα-helixtrans-64.6-24.2179.4-70.4-37.4000113.5E671 N676 V677 V695 R698 L699E671-Y674 VanDerWaalsContact CA-CE2 3.49Å; E671-Y674 HydrophobicContact CB-CD2 3.96Å; E671-Y674 HydrophobicContact CB-CE2 3.45Å; E671-Y674 VanDerWaalsContact CB-CE2 3.45Å; E671-Y674 HydrophobicContact CG-CE2 3.7Å; E671-Y674 WeakPolarHBondContact CG-OH 3.26Å; E671-Y674 WeakPolarHBondContact O-CD2 3.28Å; E671-Y674 PolarHBondContact O-N 2.85Å; E671-Y674 VanDerWaalsContact O-N 3.13Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.36Å; E671-Y674 PolarHBondContact OE1-OH 3.1Å; Y674-N676 PolarHBondContact O-N 2.9Å; Y674-V677 WeakPolarHBondContact O-CB 3.38Å; Y674-V677 PolarHBondContact O-N 2.87Å; Y674-V677 VanDerWaalsContact O-N 3.13Å; Y674-V695 HydrophobicContact CE1-CB 4.13Å; Y674-V695 HydrophobicContact CE1-CG1 4.36Å; Y674-R698 WeakPolarHBondContact OH-CB 3.41Å; Y674-L699 HydrophobicContact CD1-CD1 4.12Å; Y674-L699 HydrophobicContact CE1-CD1 4.05Å
675S83.7Confident82.9Confident79 Ų7953.1 Ų53.155%0.55230%0.299SS*.Hα-helixtrans-54.5-39.9168.946.20000112.4C673 V677 A678 E679C673-S675 PolarHBondContact O-N 2.94Å; S675-V677 PolarHBondContact O-N 2.76Å; S675-A678 PolarHBondContact O-N 3.25Å; S675-A678 VanDerWaalsContact O-N 3.15Å; S675-E679 PolarHBondContact O-N 2.97Å
676N84.1Confident81.8Confident49 Ų4956.7 Ų56.726%0.26232%0.323SS..Hα-helixtrans-64.2-24-179-53.4-0.6000111.9I667 C673 Y674 E679 W680I667-N676 WeakPolarHBondContact O-CB 3.43Å; I667-N676 PolarHBondContact O-ND2 3.02Å; C673-N676 VanDerWaalsContact O-CB 3.27Å; C673-N676 WeakPolarHBondContact O-CB 3.44Å; C673-N676 PolarHBondContact O-N 3Å; Y674-N676 PolarHBondContact O-N 2.9Å; N676-E679 PolarHBondContact O-N 3.13Å; N676-W680 VanDerWaalsContact O-CB 3.27Å; N676-W680 WeakPolarHBondContact O-CB 3.25Å; N676-W680 PolarHBondContact O-N 2.66Å
677V86.4Confident81.1Confident8 Ų855.4 Ų55.45%0.04832%0.32CS..Hα-helixtrans-74.4-42.5176.8-171.20000110.5C668 Y674 S675 E679 W680 L681 L689 L699C668-V677 HydrophobicContact CB-CG2 4Å; Y674-V677 WeakPolarHBondContact O-CB 3.38Å; Y674-V677 PolarHBondContact O-N 2.87Å; Y674-V677 VanDerWaalsContact O-N 3.13Å; S675-V677 PolarHBondContact O-N 2.76Å; V677-E679 PolarHBondContact O-N 3.05Å; V677-W680 HydrophobicContact CG1-CE3 3.99Å; V677-W680 HydrophobicContact CG1-CZ3 4.27Å; V677-W680 PolarHBondContact O-N 3.01Å; V677-L681 HydrophobicContact CG1-CD1 4.42Å; V677-L681 VanDerWaalsContact O-CG 3.32Å; V677-L681 WeakPolarHBondContact O-CG 3.43Å; V677-L681 PolarHBondContact O-N 2.65Å; V677-L681 VanDerWaalsContact O-N 3.07Å; V677-L689 HydrophobicContact CG1-CD2 4.32Å; V677-L689 HydrophobicContact CG2-CD2 4.31Å; V677-L699 HydrophobicContact CG2-CD1 3.75Å
678A82.3Confident80.9Confident65 Ų6555.1 Ų55.154%0.53732%0.318SS..Hα-helixtrans-71.5-17.9173.600000112.9S675 R682S675-A678 PolarHBondContact O-N 3.25Å; S675-A678 VanDerWaalsContact O-N 3.15Å; A678-R682 VanDerWaalsContact O-CB 3.29Å; A678-R682 WeakPolarHBondContact O-CB 3.38Å; A678-R682 PolarHBondContact O-NE 3.06Å
679E82.6Confident80.9Confident64 Ų6455.1 Ų55.130%0.29932%0.318SS..Hα-helixtrans-80.8-50.3169.2-178146.1-101.800112.6H666 S675 N676 V677 L681 R682 Q683H666-E679 VanDerWaalsContact CE1-CG 3.44Å; H666-E679 WeakPolarHBondContact CE1-CG 3.38Å; S675-E679 PolarHBondContact O-N 2.97Å; N676-E679 PolarHBondContact O-N 3.13Å; V677-E679 PolarHBondContact O-N 3.05Å; E679-L681 PolarHBondContact O-N 2.84Å; E679-R682 PolarHBondContact O-N 3.13Å; E679-R682 IonicContact OE1-CZ 2.68Å; E679-R682 IonicContact OE1-NH2 3.84Å; E679-R682 PolarHBondContact OE1-NH2 3.03Å; E679-Q683 HydrophobicContact CG-CG 4.2Å; E679-Q683 PolarHBondContact O-N 3.32Å; E679-Q683 PolarHBondContact OE1-NE2 2.86Å
680W86.6Confident81.1Confident0 Ų053 Ų530%031%0.306CS..Hα-helixtrans-49.9-52.3173.516660.7000112.1P640 V642 H666 N676 V677 R682 S684 G687 L689 C701 I704P640-W680 HydrophobicContact CB-CH2 4.05Å; P640-W680 HydrophobicContact CB-CZ2 3.6Å; V642-W680 HydrophobicContact CG2-CH2 3.63Å; V642-W680 HydrophobicContact CG2-CZ2 4.17Å; V642-W680 HydrophobicContact CG2-CZ3 4.44Å; H666-W680 HydrophobicContact CB-CB 3.95Å; H666-W680 HydrophobicContact CB-CG 4.29Å; H666-W680 AromaticContact CD2-CD1 3.69Å; N676-W680 VanDerWaalsContact O-CB 3.27Å; N676-W680 WeakPolarHBondContact O-CB 3.25Å; N676-W680 PolarHBondContact O-N 2.66Å; V677-W680 HydrophobicContact CG1-CE3 3.99Å; V677-W680 HydrophobicContact CG1-CZ3 4.27Å; V677-W680 PolarHBondContact O-N 3.01Å; W680-R682 PolarHBondContact O-N 3.43Å; W680-R682 VanDerWaalsContact O-N 3.1Å; W680-S684 CarbonylContact O-C 3.26Å; W680-S684 VanDerWaalsContact O-C 3.24Å; W680-S684 WeakPolarHBondContact O-CA 3.09Å; W680-S684 PolarHBondContact O-N 3.45Å; W680-G687 VanDerWaalsContact NE1-C 3.33Å; W680-G687 PolarHBondContact NE1-O 3.48Å; W680-L689 HydrophobicContact CD2-CB 3.81Å; W680-L689 HydrophobicContact CD2-CD1 4.47Å; W680-L689 HydrophobicContact CD2-CD2 4.26Å; W680-L689 HydrophobicContact CD2-CG 4.4Å; W680-L689 HydrophobicContact CE3-CB 4.17Å; W680-L689 HydrophobicContact CE3-CD2 3.78Å; W680-L689 HydrophobicContact CE3-CG 4.4Å; W680-L689 HydrophobicContact CG-CB 4.29Å; W680-L689 HydrophobicContact CG-CD1 4.48Å; W680-L689 HydrophobicContact CH2-CB 4.2Å; W680-L689 HydrophobicContact CH2-CD2 4.28Å; W680-L689 HydrophobicContact CZ2-CB 3.82Å; W680-L689 HydrophobicContact CZ3-CB 4.37Å; W680-L689 HydrophobicContact CZ3-CD2 3.81Å; W680-C701 HydrophobicContact CH2-CB 4.13Å; W680-C701 HydrophobicContact CZ3-CB 3.85Å; W680-I704 HydrophobicContact CH2-CG2 4.27Å
681L81Confident81.4Confident76 Ų7650.6 Ų50.640%0.39829%0.289SS..Hα-helixtrans-61.9-18.2178.3-70.3172.4000114.5V677 E679 C701V677-L681 HydrophobicContact CG1-CD1 4.42Å; V677-L681 VanDerWaalsContact O-CG 3.32Å; V677-L681 WeakPolarHBondContact O-CG 3.43Å; V677-L681 PolarHBondContact O-N 2.65Å; V677-L681 VanDerWaalsContact O-N 3.07Å; E679-L681 PolarHBondContact O-N 2.84Å; L681-C701 WeakPolarHBondContact CD2-O 3.34Å
682R78.3Confident81.9Confident163 Ų16346.4 Ų46.462%0.61527%0.269SS*.Hα-helixtrans-104.5-34.9-174.3170.6175.151.190.84.7113A678 E679 W680A678-R682 VanDerWaalsContact O-CB 3.29Å; A678-R682 WeakPolarHBondContact O-CB 3.38Å; A678-R682 PolarHBondContact O-NE 3.06Å; E679-R682 PolarHBondContact O-N 3.13Å; E679-R682 IonicContact OE1-CZ 2.68Å; E679-R682 IonicContact OE1-NH2 3.84Å; E679-R682 PolarHBondContact OE1-NH2 3.03Å; W680-R682 PolarHBondContact O-N 3.43Å; W680-R682 VanDerWaalsContact O-N 3.1Å
683Q70Confident82.3Confident101 Ų10142.4 Ų42.447%0.47224%0.236SC..Hα-helixtrans-101.5-25.9-177.3-70.9174.1-4.700113.3H666 E679H666-Q683 PolarHBondContact CE1-OE1 3.21Å; E679-Q683 HydrophobicContact CG-CG 4.2Å; E679-Q683 PolarHBondContact O-N 3.32Å; E679-Q683 PolarHBondContact OE1-NE2 2.86Å
684S64.6Low82.6Confident30 Ų3045.7 Ų45.721%0.2125%0.251CS..  trans-144.369.1-170-54.70000111H666 W680 S686 G687H666-S684 WeakPolarHBondContact NE2-CB 3.48Å; H666-S684 PolarHBondContact NE2-OG 3.46Å; W680-S684 CarbonylContact O-C 3.26Å; W680-S684 VanDerWaalsContact O-C 3.24Å; W680-S684 WeakPolarHBondContact O-CA 3.09Å; W680-S684 PolarHBondContact O-N 3.45Å; S684-S686 PolarHBondContact O-N 3.15Å; S684-G687 WeakPolarHBondContact O-CA 3.44Å; S684-G687 PolarHBondContact O-N 3.35Å
685P58.2Low82.9Confident55 Ų5542.7 Ų42.736%0.35724%0.24SC..THydrogen-bonded Turntrans-62.7-21.4177.726.4-35000113.5N638 E639 P640N638-P685 HydrophobicContact CB-CB 4.48Å; E639-P685 CarbonylContact C-O 3.57Å; P640-P685 VanDerWaalsContact CA-O 3.27Å; P640-P685 WeakPolarHBondContact CA-O 3.46Å; P640-P685 WeakPolarHBondContact CB-O 3.29Å; P640-P685 WeakPolarHBondContact CD-O 3.48Å; P640-P685 VanDerWaalsContact N-O 3.08Å
686S63.6Low83.3Confident80 Ų8039 Ų3956%0.55921%0.214SC*.THydrogen-bonded Turntrans-97.612.2168.851.60000113.8S684S684-S686 PolarHBondContact O-N 3.15Å
687G76.5Confident83.4Confident10 Ų1040.5 Ų40.510%0.10323%0.227CC..  trans-85.6159.3-174.200000113.5A641 W680 S684A641-G687 PolarHBondContact N-O 3.08Å; W680-G687 VanDerWaalsContact NE1-C 3.33Å; W680-G687 PolarHBondContact NE1-O 3.48Å; S684-G687 WeakPolarHBondContact O-CA 3.44Å; S684-G687 PolarHBondContact O-N 3.35Å
688L87.6Confident83.4Confident9 Ų948 Ų485%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-91.9133.7173.2-174.364.4000110.9A641 M643 L658 A665 H666 L690A641-L688 HydrophobicContact CB-CD1 3.73Å; M643-L688 HydrophobicContact CB-CD1 4.01Å; M643-L688 HydrophobicContact CE-CD1 4.3Å; M643-L688 HydrophobicContact CE-CD2 3.91Å; L658-L688 HydrophobicContact CD1-CD2 3.76Å; A665-L688 CarbonylContact C-O 3.24Å; A665-L688 VanDerWaalsContact CA-O 3.3Å; A665-L688 WeakPolarHBondContact CA-O 3.33Å; A665-L688 HydrophobicContact CB-CB 4.12Å; A665-L688 HydrophobicContact CB-CD2 4.29Å; A665-L688 HydrophobicContact CB-CG 4.37Å; H666-L688 PolarHBondContact N-O 2.99Å; L688-L690 HydrophobicContact CD2-CD2 3.79Å; L688-L690 HydrophobicContact CG-CD2 4.02Å
689L92.2Very high83.7Confident0 Ų045.7 Ų45.70%023%0.233CC..EExtended strand (participates in β ladder)trans-108.8118169.5-178.871.2000110.3A641 V642 M643 H666 C668 V677 W680 V691 L699A641-L689 PolarHBondContact O-N 3.31Å; V642-L689 HydrophobicContact CG2-CB 4.5Å; V642-L689 HydrophobicContact CG2-CD2 4.47Å; M643-L689 PolarHBondContact N-O 3.33Å; H666-L689 HydrophobicContact CB-CD1 3.84Å; C668-L689 HydrophobicContact CB-CD1 4.33Å; V677-L689 HydrophobicContact CG1-CD2 4.32Å; V677-L689 HydrophobicContact CG2-CD2 4.31Å; W680-L689 HydrophobicContact CD2-CB 3.81Å; W680-L689 HydrophobicContact CD2-CD1 4.47Å; W680-L689 HydrophobicContact CD2-CD2 4.26Å; W680-L689 HydrophobicContact CD2-CG 4.4Å; W680-L689 HydrophobicContact CE3-CB 4.17Å; W680-L689 HydrophobicContact CE3-CD2 3.78Å; W680-L689 HydrophobicContact CE3-CG 4.4Å; W680-L689 HydrophobicContact CG-CB 4.29Å; W680-L689 HydrophobicContact CG-CD1 4.48Å; W680-L689 HydrophobicContact CH2-CB 4.2Å; W680-L689 HydrophobicContact CH2-CD2 4.28Å; W680-L689 HydrophobicContact CZ2-CB 3.82Å; W680-L689 HydrophobicContact CZ3-CB 4.37Å; W680-L689 HydrophobicContact CZ3-CD2 3.81Å; L689-V691 HydrophobicContact CD2-CG1 3.84Å; L689-V691 HydrophobicContact CG-CG1 3.78Å; L689-L699 HydrophobicContact CD2-CD2 4.43Å
690L94.3Very high83.8Confident0 Ų051.3 Ų51.30%026%0.256CS..EExtended strand (participates in β ladder)trans-89.5129.3173.1-50.4-179.7000110.3M643 V651 R655 L658 A665 H666 I667 C668 L688M643-L690 HydrophobicContact CB-CD2 4Å; M643-L690 HydrophobicContact CG-CD2 4.24Å; M643-L690 HydrophobicContact SD-CD2 3.62Å; V651-L690 HydrophobicContact CG1-CB 3.71Å; V651-L690 HydrophobicContact CG1-CD1 4.13Å; V651-L690 HydrophobicContact CG2-CB 4.49Å; R655-L690 HydrophobicContact CB-CD1 4.04Å; L658-L690 HydrophobicContact CD1-CD1 4.19Å; L658-L690 HydrophobicContact CD1-CD2 4.02Å; A665-L690 HydrophobicContact CB-CD1 4.11Å; A665-L690 HydrophobicContact CB-CD2 4.41Å; A665-L690 HydrophobicContact CB-CG 3.95Å; H666-L690 PolarHBondContact O-N 3.25Å; I667-L690 WeakPolarHBondContact CA-O 3.41Å; I667-L690 HydrophobicContact CG1-CB 4.35Å; I667-L690 HydrophobicContact CG1-CD1 4.39Å; C668-L690 PolarHBondContact N-O 3.02Å; L688-L690 HydrophobicContact CD2-CD2 3.79Å; L688-L690 HydrophobicContact CG-CD2 4.02Å
691V95.7Very high83.6Confident0 Ų051.5 Ų51.50%026%0.257CS..EExtended strand (participates in β ladder)trans-137.8163-179.6-550000113.1V642 M643 V644 C645 C668 L689 V695 V696 L699V642-V691 HydrophobicContact CG1-CG1 4.44Å; V642-V691 HydrophobicContact CG1-CG2 3.91Å; M643-V691 PolarHBondContact O-N 3.03Å; V644-V691 WeakPolarHBondContact CA-O 3.47Å; V644-V691 HydrophobicContact CB-CG2 4.26Å; V644-V691 HydrophobicContact CG1-CG2 4.23Å; V644-V691 HydrophobicContact CG2-CG2 3.83Å; C645-V691 PolarHBondContact N-O 2.82Å; C668-V691 HydrophobicContact CB-CG1 4.08Å; C668-V691 VanDerWaalsContact O-CA 3.32Å; C668-V691 WeakPolarHBondContact O-CA 3.36Å; L689-V691 HydrophobicContact CD2-CG1 3.84Å; L689-V691 HydrophobicContact CG-CG1 3.78Å; V691-V695 HydrophobicContact CB-CG2 3.78Å; V691-V695 HydrophobicContact CG1-CG2 4.21Å; V691-V696 HydrophobicContact CG2-CG2 4.33Å; V691-L699 HydrophobicContact CG1-CD2 3.87Å; V691-L699 HydrophobicContact CG2-CD2 4.44Å
692T94.9Very high83.8Confident4 Ų449.8 Ų49.83%0.02526%0.258CS..EExtended strand (participates in β ladder)trans-102160.316751.10000111.2N647 V651 V669 D694 V695N647-T692 VanDerWaalsContact C-CG2 3.4Å; V651-T692 HydrophobicContact CG2-CG2 4.12Å; V669-T692 HydrophobicContact CB-CG2 4.45Å; V669-T692 HydrophobicContact CG1-CG2 4.13Å; V669-T692 PolarHBondContact O-OG1 3.38Å; T692-D694 PolarHBondContact O-N 3.29Å; T692-V695 WeakPolarHBondContact O-CG2 3.5Å; T692-V695 PolarHBondContact O-N 2.67Å
693D93.6Very high84.1Confident5 Ų547 Ų473%0.02725%0.25CS..THydrogen-bonded Turntrans-56.1-20.2174.8-81.3-60000114.5A713 R718 R722D693-A713 WeakPolarHBondContact OD2-CB 3.42Å; D693-R718 HydrophobicContact CB-CB 4.47Å; D693-R722 VanDerWaalsContact OD1-CG 3.27Å; D693-R722 WeakPolarHBondContact OD1-CG 3.44Å; D693-R722 IonicContact OD1-CZ 3.43Å; D693-R722 IonicContact OD1-NE 3.64Å; D693-R722 PolarHBondContact OD1-NE 3.44Å; D693-R722 IonicContact OD1-NH2 3.57Å; D693-R722 IonicContact OD2-CZ 3.96Å; D693-R722 IonicContact OD2-NE 2.73Å; D693-R722 PolarHBondContact OD2-NE 3.49Å; D693-R722 IonicContact OD2-NH2 3.17Å; D693-R722 PolarHBondContact OD2-NH2 3.15Å
694D91.7Very high85Confident95 Ų9542.1 Ų42.151%0.50823%0.228SC..THydrogen-bonded Turntrans-75.6-31-176.6-60.9-68.5000114.1T692 P697 R718T692-D694 PolarHBondContact O-N 3.29Å; D694-P697 WeakPolarHBondContact O-CD 3.5Å; D694-R718 IonicContact OD1-CZ 3.5Å; D694-R718 VanDerWaalsContact OD1-CZ 3.24Å; D694-R718 IonicContact OD1-NH1 2.75Å; D694-R718 PolarHBondContact OD1-NH1 3.05Å; D694-R718 IonicContact OD1-NH2 3.45Å; D694-R718 PolarHBondContact OD1-NH2 3.08Å; D694-R718 IonicContact OD2-NH2 3.6Å; D694-R718 PolarHBondContact OD2-NH2 3.13Å
695V92.5Very high86Confident3 Ų342 Ų422%0.01823%0.226CC..THydrogen-bonded Turntrans-84.7-26.3177.1-640000112.6C668 Y674 V691 T692 R698 L699C668-V695 WeakPolarHBondContact O-CG2 3.39Å; Y674-V695 HydrophobicContact CE1-CB 4.13Å; Y674-V695 HydrophobicContact CE1-CG1 4.36Å; V691-V695 HydrophobicContact CB-CG2 3.78Å; V691-V695 HydrophobicContact CG1-CG2 4.21Å; T692-V695 WeakPolarHBondContact O-CG2 3.5Å; T692-V695 PolarHBondContact O-N 2.67Å; V695-R698 PolarHBondContact O-N 3.32Å; V695-R698 VanDerWaalsContact O-N 3.13Å; V695-L699 HydrophobicContact CG2-CD1 4.33Å; V695-L699 WeakPolarHBondContact O-CB 3.46Å; V695-L699 PolarHBondContact O-N 3.45Å
696V92Very high87.5Confident1 Ų139.7 Ų39.71%0.00621%0.211CC..G310 helixtrans-45.5-46.8-177.1169.90000114.2V644 V691 R698 L699 N721 L725V644-V696 HydrophobicContact CG1-CG2 4.3Å; V644-V696 HydrophobicContact CG2-CG2 4.44Å; V691-V696 HydrophobicContact CG2-CG2 4.33Å; V696-R698 PolarHBondContact O-N 2.99Å; V696-L699 PolarHBondContact O-N 3.41Å; V696-N721 WeakPolarHBondContact CG1-O 3.29Å; V696-L725 HydrophobicContact CG1-CG 4.48Å
697P86.9Confident89Confident82 Ų8235.9 Ų35.953%0.53218%0.184SC..G310 helixtrans-62.4-14.2-174.8-19.630.6000115.5D694D694-P697 WeakPolarHBondContact O-CD 3.5Å
698R86.1Confident89.8Confident164 Ų16435.5 Ų35.562%0.61918%0.18SC*.G310 helixtrans-127.5-5.8-177.9-70.7173.7175.2-169.42.6113.2E671 Y674 V695 V696E671-R698 WeakPolarHBondContact OE1-CD 3.08Å; E671-R698 IonicContact OE1-CZ 2.75Å; E671-R698 IonicContact OE1-NE 3.22Å; E671-R698 IonicContact OE1-NH1 2.69Å; E671-R698 PolarHBondContact OE1-NH1 3.13Å; E671-R698 IonicContact OE2-CZ 3.69Å; E671-R698 IonicContact OE2-NH1 2.82Å; E671-R698 PolarHBondContact OE2-NH1 3.34Å; Y674-R698 WeakPolarHBondContact OH-CB 3.41Å; V695-R698 PolarHBondContact O-N 3.32Å; V695-R698 VanDerWaalsContact O-N 3.13Å; V696-R698 PolarHBondContact O-N 2.99Å
699L88.4Confident90.2Very high17 Ų1735 Ų359%0.08918%0.177CC..  trans-65.8136-177.1-162.669.9000111.2Y674 V677 L689 V691 V695 V696 C701 L725Y674-L699 HydrophobicContact CD1-CD1 4.12Å; Y674-L699 HydrophobicContact CE1-CD1 4.05Å; V677-L699 HydrophobicContact CG2-CD1 3.75Å; L689-L699 HydrophobicContact CD2-CD2 4.43Å; V691-L699 HydrophobicContact CG1-CD2 3.87Å; V691-L699 HydrophobicContact CG2-CD2 4.44Å; V695-L699 HydrophobicContact CG2-CD1 4.33Å; V695-L699 WeakPolarHBondContact O-CB 3.46Å; V695-L699 PolarHBondContact O-N 3.45Å; V696-L699 PolarHBondContact O-N 3.41Å; L699-C701 WeakPolarHBondContact CD2-SG 3.23Å; L699-L725 HydrophobicContact CB-CD2 4.06Å; L699-L725 HydrophobicContact CD2-CD2 3.9Å; L699-L725 HydrophobicContact CG-CD2 4.36Å
700K85.6Confident90.4Very high183 Ų18335.4 Ų35.480%0.79618%0.179SC*.  trans-122.975.7-177.3-67.7178.7-176.6174.20111.1G702K700-G702 VanDerWaalsContact C-N 3.28Å; K700-G702 PolarHBondContact O-N 3.08Å
701C82.3Confident90.3Very high3 Ų336.4 Ų36.42%0.0219%0.186CC..  trans-76.9-1.7-178.2-65.20000115.4V642 W680 L681 L699 I704V642-C701 HydrophobicContact CG2-CB 4.27Å; W680-C701 HydrophobicContact CH2-CB 4.13Å; W680-C701 HydrophobicContact CZ3-CB 3.85Å; L681-C701 WeakPolarHBondContact CD2-O 3.34Å; L699-C701 WeakPolarHBondContact CD2-SG 3.23Å; C701-I704 HydrophobicContact CB-CG2 3.69Å
702G84.3Confident90.1Very high41 Ų4137 Ų3742%0.42319%0.188SC..  trans67.3-150-165.400000110.9K700 A728K700-G702 VanDerWaalsContact C-N 3.28Å; K700-G702 PolarHBondContact O-N 3.08Å; G702-A728 WeakPolarHBondContact O-CB 3.21Å
703K85.9Confident89.8Confident103 Ų10337 Ų3745%0.44819%0.189SC..  trans-79134.3174.7-65.2-168.5179.5-174.20110.4A728 N729 S732K703-A728 HydrophobicContact CG-CB 4.34Å; K703-N729 VanDerWaalsContact CA-OD1 3.23Å; K703-N729 WeakPolarHBondContact CA-OD1 3.42Å; K703-S732 PolarHBondContact NZ-O 3.25Å
704I87.5Confident89.5Confident0 Ų041.8 Ų41.80%022%0.222CC..  trans-124.2114177.554.3147.2000111.5V642 W680 C701 L706 L707 L725 F726 N729V642-I704 HydrophobicContact CB-CD1 4.4Å; V642-I704 HydrophobicContact CG2-CD1 4.33Å; V642-I704 HydrophobicContact CG2-CG2 3.78Å; W680-I704 HydrophobicContact CH2-CG2 4.27Å; C701-I704 HydrophobicContact CB-CG2 3.69Å; I704-L706 PolarHBondContact O-N 2.96Å; I704-L707 HydrophobicContact CD1-CB 4.23Å; I704-L707 HydrophobicContact CD1-CD1 4.39Å; I704-L725 HydrophobicContact CD1-CB 3.59Å; I704-L725 HydrophobicContact CD1-CD1 4.49Å; I704-L725 HydrophobicContact CG1-CB 4.27Å; I704-F726 HydrophobicContact CD1-CD1 4.27Å; I704-F726 HydrophobicContact CD1-CE1 4.14Å; I704-F726 HydrophobicContact CG1-CD1 4.15Å; I704-F726 HydrophobicContact CG1-CE1 4.29Å; I704-F726 WeakPolarHBondContact O-CE1 3.29Å; I704-N729 PolarHBondContact N-OD1 2.74Å; I704-N729 PolarHBondContact O-ND2 3.24Å
705P86.3Confident89.5Confident27 Ų2742.5 Ų42.518%0.17522%0.224CC..SBendtrans-67.1-24.6175.924.4-33.7000113.2E639 P640 G739 Q740E639-P705 HydrophobicContact CB-CG 3.63Å; E639-P705 HydrophobicContact CG-CB 4.4Å; E639-P705 HydrophobicContact CG-CG 3.85Å; P640-P705 VanDerWaalsContact O-CD 3.28Å; P640-P705 WeakPolarHBondContact O-CD 3.46Å; P705-G739 CarbonylContact O-C 3.54Å; P705-G739 WeakPolarHBondContact O-CA 3.49Å; P705-Q740 PolarHBondContact O-N 3.36Å
706L89.6Confident89.5Confident7 Ų744.9 Ų44.94%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-137.3128.1-170.6173.760.8000112.8L629 R633 A641 V642 I704 I708 Q740 V742L629-L706 HydrophobicContact CD2-CD1 4.36Å; L629-L706 HydrophobicContact CD2-CD2 3.59Å; R633-L706 HydrophobicContact CG-CD2 4.19Å; A641-L706 HydrophobicContact CB-CB 4.29Å; A641-L706 HydrophobicContact CB-CD2 3.83Å; A641-L706 HydrophobicContact CB-CG 4.13Å; V642-L706 PolarHBondContact N-O 3.49Å; V642-L706 VanDerWaalsContact N-O 3.12Å; I704-L706 PolarHBondContact O-N 2.96Å; L706-I708 HydrophobicContact CD1-CG1 4.02Å; L706-I708 HydrophobicContact CD2-CD1 4.29Å; L706-I708 HydrophobicContact CD2-CG1 4.44Å; L706-I708 HydrophobicContact CG-CD1 4.46Å; L706-I708 HydrophobicContact CG-CG1 4.09Å; L706-Q740 WeakPolarHBondContact CA-O 3.5Å; L706-V742 HydrophobicContact CD1-CG2 4.1Å
707L94.4Very high89.4Confident0 Ų048.2 Ų48.20%026%0.26CS..EExtended strand (participates in β ladder)trans-120.6123.5171.8-17862.2000110.1V642 V644 I704 H709 R722 L725 F726 Q740 S741 V742V642-L707 HydrophobicContact CB-CD1 4.25Å; V642-L707 HydrophobicContact CG1-CD1 4.33Å; V642-L707 CarbonylContact O-C 3.51Å; V642-L707 WeakPolarHBondContact O-CA 3.49Å; V644-L707 HydrophobicContact CG2-CD1 3.89Å; I704-L707 HydrophobicContact CD1-CB 4.23Å; I704-L707 HydrophobicContact CD1-CD1 4.39Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.28Å; L707-R722 HydrophobicContact CD2-CB 4.32Å; L707-R722 WeakPolarHBondContact CD2-O 3.49Å; L707-L725 HydrophobicContact CD1-CD1 3.74Å; L707-F726 HydrophobicContact CB-CE1 4.3Å; L707-F726 HydrophobicContact CB-CE2 3.82Å; L707-F726 HydrophobicContact CB-CZ 3.44Å; L707-F726 VanDerWaalsContact CB-CZ 3.44Å; L707-F726 HydrophobicContact CD2-CD2 4.34Å; L707-F726 HydrophobicContact CD2-CE2 3.65Å; L707-F726 HydrophobicContact CD2-CZ 4.19Å; L707-F726 HydrophobicContact CG-CE2 4.4Å; L707-F726 HydrophobicContact CG-CZ 4.47Å; L707-Q740 PolarHBondContact N-O 2.87Å; L707-S741 CarbonylContact O-C 3.6Å; L707-S741 WeakPolarHBondContact O-CA 3.35Å; L707-V742 PolarHBondContact O-N 2.98Å
708I95Very high89.7Confident1 Ų147.5 Ų47.51%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-110.8128.1178.3-52.8170.4000109.6L626 L629 V642 M643 V644 L706 V742 F744L626-I708 HydrophobicContact CD1-CD1 3.88Å; L629-I708 HydrophobicContact CD1-CD1 4.49Å; L629-I708 HydrophobicContact CD2-CD1 3.76Å; L629-I708 HydrophobicContact CD2-CG1 4.42Å; V642-I708 PolarHBondContact O-N 2.93Å; M643-I708 CarbonylContact C-O 3.51Å; M643-I708 VanDerWaalsContact CA-O 3.28Å; M643-I708 WeakPolarHBondContact CA-O 3.42Å; M643-I708 HydrophobicContact CB-CB 4.16Å; M643-I708 HydrophobicContact CE-CB 4.17Å; M643-I708 HydrophobicContact CE-CD1 3.74Å; M643-I708 HydrophobicContact CE-CG2 3.98Å; M643-I708 HydrophobicContact CG-CB 4.08Å; M643-I708 HydrophobicContact CG-CG2 4.25Å; V644-I708 PolarHBondContact N-O 2.75Å; L706-I708 HydrophobicContact CD1-CG1 4.02Å; L706-I708 HydrophobicContact CD2-CD1 4.29Å; L706-I708 HydrophobicContact CD2-CG1 4.44Å; L706-I708 HydrophobicContact CG-CD1 4.46Å; L706-I708 HydrophobicContact CG-CG1 4.09Å; I708-V742 CarbonylContact C-O 3.58Å; I708-V742 WeakPolarHBondContact CA-O 3.17Å; I708-F744 HydrophobicContact CG2-CE2 4.46Å; I708-F744 HydrophobicContact CG2-CZ 4.41Å
709H96Very high90.1Very high0 Ų039.8 Ų39.80%022%0.218CC..EExtended strand (participates in β ladder)trans-102.990.4174.8-56-129.7000107L707 S711 F719 R722 F723 S741 V742 V743 F744L707-H709 WeakPolarHBondContact CD2-NE2 3.28Å; H709-S711 VanDerWaalsContact C-N 3.3Å; H709-S711 PolarHBondContact O-N 2.88Å; H709-F719 HydrophobicContact CB-CE2 4.36Å; H709-F719 AromaticContact CE1-CE2 3.84Å; H709-F719 AromaticContact ND1-CD2 3.63Å; H709-F719 AromaticContact ND1-CE2 3.19Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.17Å; H709-F719 AromaticContact ND1-CZ 3.84Å; H709-R722 VanDerWaalsContact ND1-CD 3.33Å; H709-R722 WeakPolarHBondContact ND1-CD 3.4Å; H709-F723 AromaticContact CE1-CE2 3.4Å; H709-F723 VanDerWaalsContact CE1-CE2 3.4Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.32Å; H709-F723 AromaticContact CE1-CZ 3.74Å; H709-F723 AromaticContact NE2-CE2 3.9Å; H709-F723 AromaticContact NE2-CZ 3.79Å; H709-S741 PolarHBondContact CD2-OG 3.32Å; H709-S741 PolarHBondContact NE2-OG 3.07Å; H709-V742 PolarHBondContact N-O 2.9Å; H709-V743 HydrophobicContact CB-CB 4.4Å; H709-V743 HydrophobicContact CB-CG1 4.25Å; H709-V743 HydrophobicContact CB-CG2 4.22Å; H709-F744 PolarHBondContact O-N 3.48Å
710Y94.6Very high90.4Very high8 Ų839.8 Ų39.83%0.03122%0.218CC..SBendtrans-67-33.5-172.2-173.6-88.9000112.9E619 K622 I623 L626 M643 V644 E650 L654 F744E619-Y710 VanDerWaalsContact OE2-CE1 3.28Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.34Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.31Å; E619-Y710 PolarHBondContact OE2-OH 2.97Å; K622-Y710 HydrophobicContact CB-CE2 4.17Å; K622-Y710 HydrophobicContact CD-CE1 3.92Å; K622-Y710 HydrophobicContact CD-CE2 4.12Å; K622-Y710 WeakPolarHBondContact CE-O 3.46Å; K622-Y710 PolarHBondContact NZ-O 3.25Å; I623-Y710 HydrophobicContact CD1-CE2 4.49Å; L626-Y710 HydrophobicContact CD2-CE2 4.46Å; M643-Y710 HydrophobicContact CE-CD2 4.5Å; M643-Y710 HydrophobicContact SD-CD2 3.98Å; M643-Y710 HydrophobicContact SD-CG 4.3Å; V644-Y710 PolarHBondContact O-N 2.92Å; E650-Y710 HydrophobicContact CG-CD1 4.4Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.46Å; L654-Y710 HydrophobicContact CD1-CD2 4.32Å; L654-Y710 HydrophobicContact CD1-CE2 3.69Å; L654-Y710 HydrophobicContact CD2-CD1 3.95Å; L654-Y710 HydrophobicContact CD2-CD2 3.5Å; L654-Y710 VanDerWaalsContact CD2-CD2 3.5Å; L654-Y710 HydrophobicContact CD2-CE1 4.15Å; L654-Y710 HydrophobicContact CD2-CE2 3.69Å; L654-Y710 HydrophobicContact CD2-CG 3.64Å; L654-Y710 HydrophobicContact CG-CE2 4.37Å; Y710-F744 AromaticContact CD2-CD2 3.98Å; Y710-F744 HydrophobicContact CD2-CD2 3.98Å; Y710-F744 HydrophobicContact CD2-CE2 4.14Å; Y710-F744 HydrophobicContact CE2-CD2 4.33Å; Y710-F744 HydrophobicContact CE2-CE2 4.39Å
711S92Very high90.8Very high20 Ų2033.5 Ų33.514%0.1419%0.193CC..SBendtrans-143.9154.3169.5-69.20000108.4K622 E650 H709 R722K622-S711 PolarHBondContact NZ-OG 2.89Å; E650-S711 VanDerWaalsContact OE1-CB 3.22Å; E650-S711 WeakPolarHBondContact OE1-CB 3.34Å; E650-S711 PolarHBondContact OE1-OG 3.28Å; H709-S711 VanDerWaalsContact C-N 3.3Å; H709-S711 PolarHBondContact O-N 2.88Å; S711-R722 PolarHBondContact O-NH1 3.19Å; S711-R722 PolarHBondContact O-NH2 2.96Å
712F91.6Very high91.4Very high13 Ų1333.4 Ų33.46%0.05719%0.192CC..  trans-60.4161.8177.2-77.4-75.9000112.8F719 R722 V743 A745 D749 N752 L756F712-F719 AromaticContact CD1-CD2 3.78Å; F712-F719 HydrophobicContact CD1-CD2 3.78Å; F712-F719 AromaticContact CD1-CE2 3.79Å; F712-F719 HydrophobicContact CD1-CE2 3.79Å; F712-F719 HydrophobicContact CE1-CD2 4.28Å; F712-F719 AromaticContact CE1-CE2 3.86Å; F712-F719 HydrophobicContact CE1-CE2 3.86Å; F712-F719 HydrophobicContact CE1-CZ 4.33Å; F712-R722 PolarHBondContact O-NH2 3.01Å; F712-V743 HydrophobicContact CE1-CG1 3.82Å; F712-V743 HydrophobicContact CZ-CG1 3.81Å; F712-A745 HydrophobicContact CE2-CB 3.55Å; F712-A745 HydrophobicContact CZ-CB 3.86Å; F712-D749 HydrophobicContact CD2-CB 3.75Å; F712-D749 VanDerWaalsContact CD2-CG 3.43Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.4Å; F712-D749 HydrophobicContact CE2-CB 3.59Å; F712-N752 HydrophobicContact CD1-CB 3.67Å; F712-N752 HydrophobicContact CD2-CB 3.99Å; F712-N752 HydrophobicContact CE1-CB 3.64Å; F712-N752 HydrophobicContact CE2-CB 3.94Å; F712-N752 HydrophobicContact CG-CB 3.85Å; F712-N752 HydrophobicContact CZ-CB 3.78Å; F712-L756 HydrophobicContact CE1-CD1 3.81Å; F712-L756 HydrophobicContact CZ-CD1 3.67Å
713A90.3Very high91.9Very high4 Ų431.6 Ų31.63%0.03317%0.172CC..  trans-82.2151.1168.600000109.9D693 M715 R718 F719D693-A713 WeakPolarHBondContact OD2-CB 3.42Å; A713-M715 PolarHBondContact O-N 3.02Å; A713-R718 HydrophobicContact CB-CB 3.81Å; A713-F719 HydrophobicContact CB-CB 3.89Å
714S86.7Confident92.3Very high105 Ų10527.5 Ų27.573%0.73416%0.157SC*.SBendtrans-58.8-18.7175.155.20000114.4
715M90.8Very high92.5Very high111 Ų11128 Ų2855%0.54716%0.159SC..SBendtrans-139.9140.3176.8-67.3-174.5-7700111A713 A717 R718 F719A713-M715 PolarHBondContact O-N 3.02Å; M715-A717 PolarHBondContact O-N 2.86Å; M715-R718 HydrophobicContact CE-CG 4.33Å; M715-R718 PolarHBondContact O-N 2.95Å; M715-F719 PolarHBondContact O-N 3.3Å
716W92.3Very high92.8Very high52 Ų5226.7 Ų26.720%0.19715%0.151CC..Hα-helixtrans-55.7-35177.6-174.1-126.6000113.1L601 R718 F719 K720 K755 L756L601-W716 HydrophobicContact CD2-CH2 4.37Å; L601-W716 HydrophobicContact CD2-CZ2 4.16Å; W716-R718 PolarHBondContact O-N 3.04Å; W716-F719 HydrophobicContact CD2-CD1 4.49Å; W716-F719 HydrophobicContact CE3-CB 4.21Å; W716-F719 AromaticContact CE3-CD1 3.64Å; W716-F719 HydrophobicContact CE3-CD1 3.64Å; W716-F719 HydrophobicContact CE3-CE1 4.33Å; W716-F719 HydrophobicContact CE3-CG 4.12Å; W716-F719 AromaticContact CH2-CD1 3.84Å; W716-F719 HydrophobicContact CH2-CD1 3.84Å; W716-F719 AromaticContact CH2-CE1 3.78Å; W716-F719 HydrophobicContact CH2-CE1 3.78Å; W716-F719 AromaticContact CZ3-CD1 3.25Å; W716-F719 HydrophobicContact CZ3-CD1 3.25Å; W716-F719 AromaticContact CZ3-CE1 3.49Å; W716-F719 HydrophobicContact CZ3-CE1 3.49Å; W716-F719 VanDerWaalsContact CZ3-CE1 3.49Å; W716-F719 HydrophobicContact CZ3-CG 4.03Å; W716-F719 HydrophobicContact CZ3-CZ 4.4Å; W716-F719 PolarHBondContact O-N 2.88Å; W716-K720 HydrophobicContact CD2-CG 4.28Å; W716-K720 HydrophobicContact CZ2-CD 4.17Å; W716-K720 HydrophobicContact CZ2-CG 4.24Å; W716-K720 WeakPolarHBondContact O-CG 3.22Å; W716-K720 PolarHBondContact O-N 2.9Å; W716-K755 HydrophobicContact CB-CD 4.01Å; W716-K755 HydrophobicContact CD2-CB 4.05Å; W716-K755 HydrophobicContact CD2-CD 3.84Å; W716-K755 HydrophobicContact CD2-CG 4.4Å; W716-K755 HydrophobicContact CE3-CB 3.99Å; W716-K755 HydrophobicContact CE3-CD 4Å; W716-K755 HydrophobicContact CG-CD 3.84Å; W716-K755 HydrophobicContact CH2-CB 3.96Å; W716-K755 HydrophobicContact CZ2-CB 4Å; W716-K755 HydrophobicContact CZ3-CB 3.94Å; W716-L756 HydrophobicContact CH2-CD2 4.11Å; W716-L756 HydrophobicContact CH2-CG 4.39Å; W716-L756 HydrophobicContact CZ3-CD2 4.48Å; W716-L756 HydrophobicContact CZ3-CG 4.5Å
717A91.1Very high92.8Very high71 Ų7126.8 Ų26.859%0.58715%0.151SC*.Hα-helixtrans-62.8-39.1174.600000112.9M715 N721M715-A717 PolarHBondContact O-N 2.86Å; A717-N721 WeakPolarHBondContact O-CB 3.2Å; A717-N721 PolarHBondContact O-N 3.44Å
718R92.9Very high92.5Very high67 Ų6728 Ų2825%0.25316%0.16SC..Hα-helixtrans-69.5-43.8175-74.417367.3116-14.3110.8D693 D694 A713 M715 W716 K720 N721 R722D693-R718 HydrophobicContact CB-CB 4.47Å; D694-R718 IonicContact OD1-CZ 3.5Å; D694-R718 VanDerWaalsContact OD1-CZ 3.24Å; D694-R718 IonicContact OD1-NH1 2.75Å; D694-R718 PolarHBondContact OD1-NH1 3.05Å; D694-R718 IonicContact OD1-NH2 3.45Å; D694-R718 PolarHBondContact OD1-NH2 3.08Å; D694-R718 IonicContact OD2-NH2 3.6Å; D694-R718 PolarHBondContact OD2-NH2 3.13Å; A713-R718 HydrophobicContact CB-CB 3.81Å; M715-R718 HydrophobicContact CE-CG 4.33Å; M715-R718 PolarHBondContact O-N 2.95Å; W716-R718 PolarHBondContact O-N 3.04Å; R718-K720 PolarHBondContact O-N 2.84Å; R718-N721 WeakPolarHBondContact O-CB 3.46Å; R718-N721 PolarHBondContact O-N 3.37Å; R718-N721 VanDerWaalsContact O-N 3.07Å; R718-R722 PolarHBondContact O-N 2.84Å
719F95.3Very high92Very high2 Ų228.4 Ų28.41%0.00916%0.163CC..Hα-helixtrans-55.3-48.7174.5176.4-92000112.1H709 F712 A713 M715 W716 N721 R722 F723 V743 L756H709-F719 HydrophobicContact CB-CE2 4.36Å; H709-F719 AromaticContact CE1-CE2 3.84Å; H709-F719 AromaticContact ND1-CD2 3.63Å; H709-F719 AromaticContact ND1-CE2 3.19Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.17Å; H709-F719 AromaticContact ND1-CZ 3.84Å; F712-F719 AromaticContact CD1-CD2 3.78Å; F712-F719 HydrophobicContact CD1-CD2 3.78Å; F712-F719 AromaticContact CD1-CE2 3.79Å; F712-F719 HydrophobicContact CD1-CE2 3.79Å; F712-F719 HydrophobicContact CE1-CD2 4.28Å; F712-F719 AromaticContact CE1-CE2 3.86Å; F712-F719 HydrophobicContact CE1-CE2 3.86Å; F712-F719 HydrophobicContact CE1-CZ 4.33Å; A713-F719 HydrophobicContact CB-CB 3.89Å; M715-F719 PolarHBondContact O-N 3.3Å; W716-F719 HydrophobicContact CD2-CD1 4.49Å; W716-F719 HydrophobicContact CE3-CB 4.21Å; W716-F719 AromaticContact CE3-CD1 3.64Å; W716-F719 HydrophobicContact CE3-CD1 3.64Å; W716-F719 HydrophobicContact CE3-CE1 4.33Å; W716-F719 HydrophobicContact CE3-CG 4.12Å; W716-F719 AromaticContact CH2-CD1 3.84Å; W716-F719 HydrophobicContact CH2-CD1 3.84Å; W716-F719 AromaticContact CH2-CE1 3.78Å; W716-F719 HydrophobicContact CH2-CE1 3.78Å; W716-F719 AromaticContact CZ3-CD1 3.25Å; W716-F719 HydrophobicContact CZ3-CD1 3.25Å; W716-F719 AromaticContact CZ3-CE1 3.49Å; W716-F719 HydrophobicContact CZ3-CE1 3.49Å; W716-F719 VanDerWaalsContact CZ3-CE1 3.49Å; W716-F719 HydrophobicContact CZ3-CG 4.03Å; W716-F719 HydrophobicContact CZ3-CZ 4.4Å; W716-F719 PolarHBondContact O-N 2.88Å; F719-N721 VanDerWaalsContact C-N 3.32Å; F719-N721 PolarHBondContact O-N 3.22Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.43Å; F719-R722 WeakPolarHBondContact O-CG 3.21Å; F719-R722 PolarHBondContact O-N 2.69Å; F719-F723 HydrophobicContact CD1-CE2 4.33Å; F719-F723 AromaticContact CE1-CE2 3.79Å; F719-F723 HydrophobicContact CE1-CE2 3.79Å; F719-F723 HydrophobicContact CE1-CZ 4.43Å; F719-F723 HydrophobicContact CZ-CE2 4.07Å; F719-F723 HydrophobicContact CZ-CZ 4.46Å; F719-V743 HydrophobicContact CE2-CG1 4.24Å; F719-V743 HydrophobicContact CE2-CG2 4.19Å; F719-V743 HydrophobicContact CZ-CG2 3.94Å; F719-L756 HydrophobicContact CE1-CD2 4.3Å; F719-L756 HydrophobicContact CZ-CD2 4.25Å
720K94.8Very high91.3Very high18 Ų1829 Ų298%0.07817%0.166CC..Hα-helixtrans-63.9-36.3176.3-68.1-165.5-66.9173.70112.3N417 D599 L601 W716 R718 R722 F723N417-K720 PolarHBondContact OD1-NZ 3.06Å; D599-K720 WeakPolarHBondContact OD2-CE 3.36Å; D599-K720 IonicContact OD2-NZ 2.79Å; D599-K720 PolarHBondContact OD2-NZ 3.03Å; L601-K720 HydrophobicContact CB-CB 4.02Å; L601-K720 HydrophobicContact CB-CD 4.08Å; L601-K720 HydrophobicContact CB-CG 3.89Å; L601-K720 HydrophobicContact CD2-CD 3.9Å; L601-K720 HydrophobicContact CD2-CG 3.75Å; L601-K720 HydrophobicContact CG-CG 4.48Å; W716-K720 HydrophobicContact CD2-CG 4.28Å; W716-K720 HydrophobicContact CZ2-CD 4.17Å; W716-K720 HydrophobicContact CZ2-CG 4.24Å; W716-K720 WeakPolarHBondContact O-CG 3.22Å; W716-K720 PolarHBondContact O-N 2.9Å; R718-K720 PolarHBondContact O-N 2.84Å; K720-R722 PolarHBondContact O-N 2.87Å; K720-F723 WeakPolarHBondContact O-CB 3.44Å; K720-F723 PolarHBondContact O-N 3.37Å
721N93.4Very high90.4Very high51 Ų5132.7 Ų32.727%0.27318%0.182SC..Hα-helixtrans-64.7-23176.7-170.664.6000113.7V696 A717 R718 F719 F723 S724V696-N721 WeakPolarHBondContact CG1-O 3.29Å; A717-N721 WeakPolarHBondContact O-CB 3.2Å; A717-N721 PolarHBondContact O-N 3.44Å; R718-N721 WeakPolarHBondContact O-CB 3.46Å; R718-N721 PolarHBondContact O-N 3.37Å; R718-N721 VanDerWaalsContact O-N 3.07Å; F719-N721 VanDerWaalsContact C-N 3.32Å; F719-N721 PolarHBondContact O-N 3.22Å; N721-F723 PolarHBondContact O-N 2.81Å; N721-S724 VanDerWaalsContact O-CB 3.26Å; N721-S724 WeakPolarHBondContact O-CB 3.43Å; N721-S724 PolarHBondContact O-N 2.71Å; N721-S724 PolarHBondContact O-OG 3.37Å
722R95.3Very high89.1Confident0 Ų034.5 Ų34.50%020%0.195CC..G310 helixtrans-55.3-33172.1-61.7178.2177.4-169.80.5112.8V644 D693 L707 H709 S711 F712 R718 F719 K720 S724 L725V644-R722 HydrophobicContact CB-CG 4.33Å; V644-R722 HydrophobicContact CG1-CG 4.09Å; V644-R722 VanDerWaalsContact CG1-NE 3.33Å; V644-R722 HydrophobicContact CG2-CB 4.4Å; V644-R722 HydrophobicContact CG2-CG 4.14Å; V644-R722 PolarHBondContact O-NH1 3.38Å; D693-R722 VanDerWaalsContact OD1-CG 3.27Å; D693-R722 WeakPolarHBondContact OD1-CG 3.44Å; D693-R722 IonicContact OD1-CZ 3.43Å; D693-R722 IonicContact OD1-NE 3.64Å; D693-R722 PolarHBondContact OD1-NE 3.44Å; D693-R722 IonicContact OD1-NH2 3.57Å; D693-R722 IonicContact OD2-CZ 3.96Å; D693-R722 IonicContact OD2-NE 2.73Å; D693-R722 PolarHBondContact OD2-NE 3.49Å; D693-R722 IonicContact OD2-NH2 3.17Å; D693-R722 PolarHBondContact OD2-NH2 3.15Å; L707-R722 HydrophobicContact CD2-CB 4.32Å; L707-R722 WeakPolarHBondContact CD2-O 3.49Å; H709-R722 VanDerWaalsContact ND1-CD 3.33Å; H709-R722 WeakPolarHBondContact ND1-CD 3.4Å; S711-R722 PolarHBondContact O-NH1 3.19Å; S711-R722 PolarHBondContact O-NH2 2.96Å; F712-R722 PolarHBondContact O-NH2 3.01Å; R718-R722 PolarHBondContact O-N 2.84Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.43Å; F719-R722 WeakPolarHBondContact O-CG 3.21Å; F719-R722 PolarHBondContact O-N 2.69Å; K720-R722 PolarHBondContact O-N 2.87Å; R722-S724 PolarHBondContact O-N 3.31Å; R722-L725 WeakPolarHBondContact O-CG 3.22Å; R722-L725 PolarHBondContact O-N 3.29Å
723F94.7Very high87.5Confident3 Ų337.8 Ų37.81%0.01322%0.217CC..G310 helixtrans-69.4-12.3178.6-69.3-96.6000113.7A600 L601 L611 H709 F719 K720 N721 L725 F726 S741A600-F723 HydrophobicContact CB-CB 4.07Å; A600-F723 WeakPolarHBondContact O-CB 3.43Å; L601-F723 HydrophobicContact CB-CD2 4.17Å; L601-F723 HydrophobicContact CB-CG 4.33Å; L601-F723 HydrophobicContact CD1-CD1 3.88Å; L601-F723 HydrophobicContact CD1-CD2 3.97Å; L601-F723 HydrophobicContact CD1-CE1 3.68Å; L601-F723 HydrophobicContact CD1-CE2 3.79Å; L601-F723 HydrophobicContact CD1-CG 4.03Å; L601-F723 HydrophobicContact CD1-CZ 3.65Å; L611-F723 HydrophobicContact CD1-CZ 4.27Å; H709-F723 AromaticContact CE1-CE2 3.4Å; H709-F723 VanDerWaalsContact CE1-CE2 3.4Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.32Å; H709-F723 AromaticContact CE1-CZ 3.74Å; H709-F723 AromaticContact NE2-CE2 3.9Å; H709-F723 AromaticContact NE2-CZ 3.79Å; F719-F723 HydrophobicContact CD1-CE2 4.33Å; F719-F723 AromaticContact CE1-CE2 3.79Å; F719-F723 HydrophobicContact CE1-CE2 3.79Å; F719-F723 HydrophobicContact CE1-CZ 4.43Å; F719-F723 HydrophobicContact CZ-CE2 4.07Å; F719-F723 HydrophobicContact CZ-CZ 4.46Å; K720-F723 WeakPolarHBondContact O-CB 3.44Å; K720-F723 PolarHBondContact O-N 3.37Å; N721-F723 PolarHBondContact O-N 2.81Å; F723-L725 PolarHBondContact O-N 2.69Å; F723-L725 VanDerWaalsContact O-N 3.13Å; F723-F726 HydrophobicContact CB-CD2 4.46Å; F723-F726 HydrophobicContact CD1-CD2 4.08Å; F723-F726 AromaticContact CD1-CE2 3.97Å; F723-F726 HydrophobicContact CD1-CE2 3.97Å; F723-F726 HydrophobicContact CE1-CE2 4.45Å; F723-F726 PolarHBondContact O-N 2.83Å; F723-S741 WeakPolarHBondContact CE1-OG 3.47Å; F723-S741 WeakPolarHBondContact CZ-OG 3.22Å
724S93.6Very high85.8Confident18 Ų1843.3 Ų43.313%0.12625%0.251CS..G310 helixtrans-62.1-20.8175.7640000112.9A600 N721 R722 F726 Y727A600-S724 VanDerWaalsContact CB-N 3.34Å; N721-S724 VanDerWaalsContact O-CB 3.26Å; N721-S724 WeakPolarHBondContact O-CB 3.43Å; N721-S724 PolarHBondContact O-N 2.71Å; N721-S724 PolarHBondContact O-OG 3.37Å; R722-S724 PolarHBondContact O-N 3.31Å; S724-F726 PolarHBondContact O-N 2.9Å; S724-Y727 WeakPolarHBondContact O-CB 3.25Å; S724-Y727 PolarHBondContact O-N 2.96Å
725L92.9Very high84.2Confident9 Ų943.6 Ų43.65%0.04725%0.248CC..G310 helixtrans-61.3-27.3173.7-59.4174.3000112.5V642 V696 L699 I704 L707 R722 F723 Y727V642-L725 HydrophobicContact CB-CD1 4.5Å; V642-L725 HydrophobicContact CG1-CD1 3.92Å; V696-L725 HydrophobicContact CG1-CG 4.48Å; L699-L725 HydrophobicContact CB-CD2 4.06Å; L699-L725 HydrophobicContact CD2-CD2 3.9Å; L699-L725 HydrophobicContact CG-CD2 4.36Å; I704-L725 HydrophobicContact CD1-CB 3.59Å; I704-L725 HydrophobicContact CD1-CD1 4.49Å; I704-L725 HydrophobicContact CG1-CB 4.27Å; L707-L725 HydrophobicContact CD1-CD1 3.74Å; R722-L725 WeakPolarHBondContact O-CG 3.22Å; R722-L725 PolarHBondContact O-N 3.29Å; F723-L725 PolarHBondContact O-N 2.69Å; F723-L725 VanDerWaalsContact O-N 3.13Å; L725-Y727 VanDerWaalsContact C-N 3.28Å; L725-Y727 PolarHBondContact O-N 3.47Å
726F91.5Very high82.5Confident0 Ų042.2 Ų42.20%024%0.237CC..G310 helixtrans-75.6-9174.3-66-63.5000114.2V609 I704 L707 F723 S724 A728 N729 L730V609-F726 HydrophobicContact CG1-CD2 3.99Å; V609-F726 HydrophobicContact CG1-CE1 4.25Å; V609-F726 HydrophobicContact CG1-CE2 3.61Å; V609-F726 HydrophobicContact CG1-CG 4.46Å; V609-F726 HydrophobicContact CG1-CZ 3.75Å; V609-F726 HydrophobicContact CG2-CB 4.29Å; V609-F726 HydrophobicContact CG2-CD1 4.34Å; V609-F726 HydrophobicContact CG2-CD2 4.15Å; V609-F726 HydrophobicContact CG2-CG 4.02Å; I704-F726 HydrophobicContact CD1-CD1 4.27Å; I704-F726 HydrophobicContact CD1-CE1 4.14Å; I704-F726 HydrophobicContact CG1-CD1 4.15Å; I704-F726 HydrophobicContact CG1-CE1 4.29Å; I704-F726 WeakPolarHBondContact O-CE1 3.29Å; L707-F726 HydrophobicContact CB-CE1 4.3Å; L707-F726 HydrophobicContact CB-CE2 3.82Å; L707-F726 HydrophobicContact CB-CZ 3.44Å; L707-F726 VanDerWaalsContact CB-CZ 3.44Å; L707-F726 HydrophobicContact CD2-CD2 4.34Å; L707-F726 HydrophobicContact CD2-CE2 3.65Å; L707-F726 HydrophobicContact CD2-CZ 4.19Å; L707-F726 HydrophobicContact CG-CE2 4.4Å; L707-F726 HydrophobicContact CG-CZ 4.47Å; F723-F726 HydrophobicContact CB-CD2 4.46Å; F723-F726 HydrophobicContact CD1-CD2 4.08Å; F723-F726 AromaticContact CD1-CE2 3.97Å; F723-F726 HydrophobicContact CD1-CE2 3.97Å; F723-F726 HydrophobicContact CE1-CE2 4.45Å; F723-F726 PolarHBondContact O-N 2.83Å; S724-F726 PolarHBondContact O-N 2.9Å; F726-A728 PolarHBondContact O-N 3.29Å; F726-N729 WeakPolarHBondContact O-CB 3.41Å; F726-N729 PolarHBondContact O-N 3.43Å; F726-L730 WeakPolarHBondContact O-CG 3.39Å; F726-L730 PolarHBondContact O-N 3.36Å
727Y90.3Very high81Confident10 Ų1043 Ų434%0.03925%0.249CC..G310 helixtrans-58-24.8-178.1-73.6-2.3000114N353 G356 L358 A600 A603 S724 L725 L730N353-Y727 HydrophobicContact CB-CD2 4.07Å; N353-Y727 HydrophobicContact CB-CG 4.4Å; G356-Y727 VanDerWaalsContact O-CE2 3.31Å; G356-Y727 WeakPolarHBondContact O-CE2 3.48Å; G356-Y727 PolarHBondContact O-OH 2.94Å; L358-Y727 HydrophobicContact CB-CD1 4.04Å; L358-Y727 HydrophobicContact CB-CE1 3.77Å; L358-Y727 HydrophobicContact CB-CE2 4.29Å; L358-Y727 HydrophobicContact CB-CG 4.39Å; L358-Y727 HydrophobicContact CD1-CD1 4.04Å; L358-Y727 HydrophobicContact CD1-CG 4.03Å; L358-Y727 HydrophobicContact CG-CD1 4.44Å; A600-Y727 HydrophobicContact CB-CE1 3.67Å; A600-Y727 WeakPolarHBondContact CB-OH 3.41Å; A603-Y727 HydrophobicContact CB-CE1 3.92Å; S724-Y727 WeakPolarHBondContact O-CB 3.25Å; S724-Y727 PolarHBondContact O-N 2.96Å; L725-Y727 VanDerWaalsContact C-N 3.28Å; L725-Y727 PolarHBondContact O-N 3.47Å; Y727-L730 HydrophobicContact CD1-CD1 4.37Å
728A86.9Confident80.4Confident24 Ų2440.3 Ų40.320%0.19823%0.225CC..G310 helixtrans-74.2-35.6174.600000112.7G702 K703 F726 L730 K731G702-A728 WeakPolarHBondContact O-CB 3.21Å; K703-A728 HydrophobicContact CG-CB 4.34Å; F726-A728 PolarHBondContact O-N 3.29Å; A728-L730 VanDerWaalsContact C-N 3.31Å; A728-K731 PolarHBondContact O-N 2.93Å
729N85.6Confident80.1Confident10 Ų1037.5 Ų37.55%0.05322%0.217CC..G310 helixtrans-63.8-42.6177.3-52.827.1000109.7K703 I704 F726 K731 S732 V738K703-N729 VanDerWaalsContact CA-OD1 3.23Å; K703-N729 WeakPolarHBondContact CA-OD1 3.42Å; I704-N729 PolarHBondContact N-OD1 2.74Å; I704-N729 PolarHBondContact O-ND2 3.24Å; F726-N729 WeakPolarHBondContact O-CB 3.41Å; F726-N729 PolarHBondContact O-N 3.43Å; N729-K731 PolarHBondContact O-N 3.36Å; N729-S732 PolarHBondContact O-N 2.99Å; N729-V738 HydrophobicContact CB-CG1 3.45Å; N729-V738 VanDerWaalsContact CB-CG1 3.45Å; N729-V738 PolarHBondContact ND2-O 2.91Å
730L81.1Confident79.9Confident13 Ų1338.4 Ų38.47%0.06822%0.221CC..G310 helixtrans-66.1-5.4-179.1-59.2170.3000114.5T351 L358 F726 Y727 A728 V738T351-L730 PolarHBondContact OG1-O 2.74Å; L358-L730 HydrophobicContact CD1-CB 4.22Å; L358-L730 HydrophobicContact CD1-CD1 4.41Å; L358-L730 HydrophobicContact CD2-CB 4.26Å; L358-L730 HydrophobicContact CD2-CD1 3.57Å; L358-L730 HydrophobicContact CD2-CG 4.49Å; F726-L730 WeakPolarHBondContact O-CG 3.39Å; F726-L730 PolarHBondContact O-N 3.36Å; Y727-L730 HydrophobicContact CD1-CD1 4.37Å; A728-L730 VanDerWaalsContact C-N 3.31Å; L730-V738 HydrophobicContact CD2-CG1 3.82Å; L730-V738 HydrophobicContact CG-CG1 4.43Å
731K76.4Confident79.9Confident86 Ų8637.5 Ų37.537%0.37422%0.217SC..G310 helixtrans-80.3-18.5172.3-64.7-154.3174.3-1710114.9T351 N353 A728 N729T351-K731 HydrophobicContact CG2-CG 3.98Å; T351-K731 WeakPolarHBondContact O-CE 3.5Å; N353-K731 WeakPolarHBondContact OD1-CE 3.47Å; N353-K731 PolarHBondContact OD1-NZ 3.41Å; A728-K731 PolarHBondContact O-N 2.93Å; N729-K731 PolarHBondContact O-N 3.36Å
732S63.4Low79.9Confident57 Ų5735.1 Ų35.140%0.39920%0.204SC..  trans-152.882.1178.7-36.20000109.9K703 N729 T734K703-S732 PolarHBondContact NZ-O 3.25Å; N729-S732 PolarHBondContact O-N 2.99Å; S732-T734 PolarHBondContact O-N 3.41Å
733P59.2Low79.9Confident82 Ų8235.1 Ų35.153%0.53220%0.204SC..  trans-77.367.617833.5-35.8000110.6T735P733-T735 VanDerWaalsContact C-N 3.32Å
734T53.2Low80Confident121 Ų12135 Ų3574%0.74220%0.204SC*.SBendtrans-73.8-24.6178.545.10000113S732S732-T734 PolarHBondContact O-N 3.41Å
735T53.5Low80Confident111 Ų11134.1 Ų34.168%0.68120%0.198SC*.SBendtrans-143.8160.3171.845.40000109.1P733P733-T735 VanDerWaalsContact C-N 3.32Å
736R56.3Low80Confident81 Ų8136.2 Ų36.231%0.30621%0.207SC..SBendtrans-125153.2170.4-63.6-167.4-177.1-158.36.5109.1V342 P344 V738V342-R736 PolarHBondContact O-NH1 3.09Å; P344-R736 PolarHBondContact O-NH2 3.44Å; R736-V738 HydrophobicContact CG-CG2 4.11Å
737P59.3Low79.9Confident68 Ų6838.1 Ų38.144%0.44222%0.219SC..  cis-65.5154.40.529.7-36.9000112.6Q610 G739Q610-P737 HydrophobicContact CG-CB 4.02Å; P737-G739 VanDerWaalsContact C-N 3.34Å
738V77.9Confident80Confident15 Ų1542.1 Ų42.19%0.09125%0.245CC..  trans-85.3-12.1-175.1-179.90000112.3G607 G608 N729 L730 R736G607-V738 WeakPolarHBondContact O-CB 3.42Å; G607-V738 WeakPolarHBondContact O-CG2 3.46Å; G608-V738 PolarHBondContact O-N 3.33Å; N729-V738 HydrophobicContact CB-CG1 3.45Å; N729-V738 VanDerWaalsContact CB-CG1 3.45Å; N729-V738 PolarHBondContact ND2-O 2.91Å; L730-V738 HydrophobicContact CD2-CG1 3.82Å; L730-V738 HydrophobicContact CG-CG1 4.43Å; R736-V738 HydrophobicContact CG-CG2 4.11Å
739G86.9Confident80.2Confident8 Ų843 Ų438%0.08225%0.246CC..  trans171.4175.8172.700000110.9V609 Q610 P705 P737V609-G739 CarbonylContact C-O 3.35Å; V609-G739 WeakPolarHBondContact CA-O 3.38Å; Q610-G739 PolarHBondContact N-O 3.46Å; P705-G739 CarbonylContact O-C 3.54Å; P705-G739 WeakPolarHBondContact O-CA 3.49Å; P737-G739 VanDerWaalsContact C-N 3.34Å
740Q91.1Very high80.4Confident21 Ų2143.5 Ų43.510%0.09825%0.249CC..EExtended strand (participates in β ladder)trans-125.7130.7173.5-172.7-177.114.300110.4Q610 P705 L706 L707 V742Q610-Q740 HydrophobicContact CB-CG 4.33Å; P705-Q740 PolarHBondContact O-N 3.36Å; L706-Q740 WeakPolarHBondContact CA-O 3.5Å; L707-Q740 PolarHBondContact N-O 2.87Å; Q740-V742 HydrophobicContact CG-CG2 3.98Å
741S94.5Very high81Confident0 Ų047 Ų470%027%0.266CS..EExtended strand (participates in β ladder)trans-103.7128.3166.7172.90000109.1Q610 D612 L707 H709 F723Q610-S741 PolarHBondContact O-N 2.73Å; D612-S741 PolarHBondContact N-O 3.17Å; L707-S741 CarbonylContact O-C 3.6Å; L707-S741 WeakPolarHBondContact O-CA 3.35Å; H709-S741 PolarHBondContact CD2-OG 3.32Å; H709-S741 PolarHBondContact NE2-OG 3.07Å; F723-S741 WeakPolarHBondContact CE1-OG 3.47Å; F723-S741 WeakPolarHBondContact CZ-OG 3.22Å
742V94.9Very high81.8Confident0 Ų044 Ų440%025%0.254CS..EExtended strand (participates in β ladder)trans-120123.4175.3-1740000109.2D612 R614 L629 L706 L707 I708 H709 Q740 F744D612-V742 HydrophobicContact CB-CG1 4.36Å; D612-V742 HydrophobicContact CB-CG2 4.15Å; D612-V742 CarbonylContact O-C 3.31Å; D612-V742 WeakPolarHBondContact O-CA 3.2Å; R614-V742 HydrophobicContact CG-CG1 4.33Å; L629-V742 HydrophobicContact CD1-CB 4.07Å; L629-V742 HydrophobicContact CD1-CG1 3.86Å; L629-V742 HydrophobicContact CD1-CG2 3.91Å; L706-V742 HydrophobicContact CD1-CG2 4.1Å; L707-V742 PolarHBondContact O-N 2.98Å; I708-V742 CarbonylContact C-O 3.58Å; I708-V742 WeakPolarHBondContact CA-O 3.17Å; H709-V742 PolarHBondContact N-O 2.9Å; Q740-V742 HydrophobicContact CG-CG2 3.98Å; V742-F744 HydrophobicContact CG1-CD1 4.28Å; V742-F744 HydrophobicContact CG1-CE1 3.92Å
743V95.8Very high83.3Confident0 Ų041.3 Ų41.30%024%0.235CC..EExtended strand (participates in β ladder)trans-108.4126.2-178.9-174.70000110.2L611 D612 V613 R614 H709 F712 F719 L756L611-V743 HydrophobicContact CD1-CG2 4.01Å; D612-V743 PolarHBondContact O-N 3.13Å; V613-V743 HydrophobicContact CG1-CB 4.46Å; V613-V743 HydrophobicContact CG2-CB 4.28Å; V613-V743 HydrophobicContact CG2-CG2 4.49Å; R614-V743 PolarHBondContact N-O 2.83Å; H709-V743 HydrophobicContact CB-CB 4.4Å; H709-V743 HydrophobicContact CB-CG1 4.25Å; H709-V743 HydrophobicContact CB-CG2 4.22Å; F712-V743 HydrophobicContact CE1-CG1 3.82Å; F712-V743 HydrophobicContact CZ-CG1 3.81Å; F719-V743 HydrophobicContact CE2-CG1 4.24Å; F719-V743 HydrophobicContact CE2-CG2 4.19Å; F719-V743 HydrophobicContact CZ-CG2 3.94Å; V743-L756 HydrophobicContact CG1-CD1 4.48Å
744F95.1Very high85Confident0 Ų038.7 Ų38.70%021%0.214CC..EExtended strand (participates in β ladder)trans-94.7114.5168.1-63.9-10.1000108.6R614 K622 H625 L626 I708 H709 Y710 V742R614-F744 HydrophobicContact CB-CD1 4.22Å; R614-F744 WeakPolarHBondContact O-CA 3.39Å; K622-F744 HydrophobicContact CB-CD2 4.18Å; K622-F744 HydrophobicContact CB-CE2 4.38Å; K622-F744 HydrophobicContact CD-CB 4.43Å; K622-F744 HydrophobicContact CD-CD2 4.14Å; K622-F744 HydrophobicContact CG-CD2 4.04Å; H625-F744 HydrophobicContact CB-CE1 4.49Å; H625-F744 HydrophobicContact CB-CZ 4.25Å; L626-F744 HydrophobicContact CB-CE2 4.23Å; L626-F744 HydrophobicContact CB-CZ 4.32Å; I708-F744 HydrophobicContact CG2-CE2 4.46Å; I708-F744 HydrophobicContact CG2-CZ 4.41Å; H709-F744 PolarHBondContact O-N 3.48Å; Y710-F744 AromaticContact CD2-CD2 3.98Å; Y710-F744 HydrophobicContact CD2-CD2 3.98Å; Y710-F744 HydrophobicContact CD2-CE2 4.14Å; Y710-F744 HydrophobicContact CE2-CD2 4.33Å; Y710-F744 HydrophobicContact CE2-CE2 4.39Å; V742-F744 HydrophobicContact CG1-CD1 4.28Å; V742-F744 HydrophobicContact CG1-CE1 3.92Å
745A94.1Very high87Confident0 Ų035 Ų350%019%0.188CC..EExtended strand (participates in β ladder)trans-114.7139.7-178.800000110.4V613 R614 V615 V616 F712 I753V613-A745 HydrophobicContact CG1-CB 4.31Å; R614-A745 PolarHBondContact O-N 3.14Å; V615-A745 CarbonylContact C-O 3.54Å; V615-A745 VanDerWaalsContact CA-O 3.27Å; V615-A745 WeakPolarHBondContact CA-O 3.28Å; V616-A745 PolarHBondContact N-O 2.98Å; F712-A745 HydrophobicContact CE2-CB 3.55Å; F712-A745 HydrophobicContact CZ-CB 3.86Å; A745-I753 HydrophobicContact CB-CG1 4.39Å
746K92.1Very high88.9Confident53 Ų5329.7 Ų29.723%0.2316%0.155CC..  trans-90.2151.4170.7-57.7-158.3176.5-152.60110.6V616 E619 T748 D749 I753V616-K746 WeakPolarHBondContact O-CA 3.24Å; E619-K746 WeakPolarHBondContact OE1-CE 3.41Å; E619-K746 IonicContact OE1-NZ 2.69Å; E619-K746 PolarHBondContact OE1-NZ 2.87Å; K746-T748 WeakPolarHBondContact CB-OG1 3.34Å; K746-T748 PolarHBondContact O-N 2.96Å; K746-D749 WeakPolarHBondContact CB-OD2 3.34Å; K746-D749 PolarHBondContact N-OD2 2.67Å; K746-D749 WeakPolarHBondContact O-CB 3.29Å; K746-D749 PolarHBondContact O-N 3.14Å; K746-I753 WeakPolarHBondContact O-CD1 3.12Å
747P91.2Very high90.8Very high40 Ų4025.8 Ų25.826%0.2614%0.141SC..THydrogen-bonded Turntrans-59.1-6.7170.6-23.933.8000115V615 R778V615-P747 HydrophobicContact CG1-CG 3.77Å; P747-R778 PolarHBondContact O-NE 3.05Å; P747-R778 PolarHBondContact O-NH2 3.4Å
748T90.6Very high92.3Very high95 Ų9524.1 Ų24.158%0.58313%0.128SC*.THydrogen-bonded Turntrans-93.9-11.917347.30000113.8K746 V750K746-T748 WeakPolarHBondContact CB-OG1 3.34Å; K746-T748 PolarHBondContact O-N 2.96Å; T748-V750 PolarHBondContact O-N 3.4Å
749D91.2Very high93Very high42 Ų4223.9 Ų23.923%0.22513%0.125CC..  trans-78.136.3-178.1-71.4-51.5000113.2F712 K746 E751 N752 I753F712-D749 HydrophobicContact CD2-CB 3.75Å; F712-D749 VanDerWaalsContact CD2-CG 3.43Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.4Å; F712-D749 HydrophobicContact CE2-CB 3.59Å; K746-D749 WeakPolarHBondContact CB-OD2 3.34Å; K746-D749 PolarHBondContact N-OD2 2.67Å; K746-D749 WeakPolarHBondContact O-CB 3.29Å; K746-D749 PolarHBondContact O-N 3.14Å; D749-E751 VanDerWaalsContact C-N 3.26Å; D749-E751 PolarHBondContact O-N 3.37Å; D749-E751 VanDerWaalsContact O-N 3.09Å; D749-N752 PolarHBondContact O-N 3.3Å; D749-I753 HydrophobicContact CB-CD1 4.36Å; D749-I753 HydrophobicContact CB-CG1 4.32Å; D749-I753 WeakPolarHBondContact O-CG1 3.43Å; D749-I753 PolarHBondContact O-N 3.35Å
750V91.4Very high93.2Very high20 Ų2024.2 Ų24.212%0.12112%0.124CC..Hα-helixtrans-48.1-45.2-168.9-1700000112.7T748 N752 I753 W754 L775 R778T748-V750 PolarHBondContact O-N 3.4Å; V750-N752 VanDerWaalsContact C-N 3.33Å; V750-N752 PolarHBondContact O-N 3.03Å; V750-I753 PolarHBondContact O-N 3.32Å; V750-W754 WeakPolarHBondContact O-CB 3.36Å; V750-W754 PolarHBondContact O-N 3.08Å; V750-L775 HydrophobicContact CG1-CD2 3.76Å; V750-R778 HydrophobicContact CG1-CB 4.3Å; V750-R778 HydrophobicContact CG2-CB 4.19Å; V750-R778 HydrophobicContact CG2-CG 3.71Å
751E92.3Very high93.1Very high88 Ų8823.9 Ų23.941%0.41112%0.123SC..Hα-helixtrans-62.1-34.1179.5176.860.2-16400113.7D749 K755 H806D749-E751 VanDerWaalsContact C-N 3.26Å; D749-E751 PolarHBondContact O-N 3.37Å; D749-E751 VanDerWaalsContact O-N 3.09Å; E751-K755 WeakPolarHBondContact O-CD 3.5Å; E751-K755 WeakPolarHBondContact O-CG 3.48Å; E751-K755 WeakPolarHBondContact OE1-CE 3.28Å; E751-K755 IonicContact OE1-NZ 3.94Å; E751-K755 PolarHBondContact OE1-NZ 2.88Å; E751-H806 IonicContact OE1-CE1 3.73Å; E751-H806 IonicContact OE1-NE2 3.4Å; E751-H806 PolarHBondContact OE1-NE2 2.96Å; E751-H806 IonicContact OE2-CD2 3.42Å; E751-H806 IonicContact OE2-CE1 2.7Å; E751-H806 IonicContact OE2-NE2 2.74Å; E751-H806 PolarHBondContact OE2-NE2 2.85Å
752N93.4Very high92.7Very high23 Ų2328.1 Ų28.112%0.12314%0.142CC..Hα-helixtrans-91.1-33.5179.3-68.4-44.3000111.9F712 D749 V750 W754 K755 L756F712-N752 HydrophobicContact CD1-CB 3.67Å; F712-N752 HydrophobicContact CD2-CB 3.99Å; F712-N752 HydrophobicContact CE1-CB 3.64Å; F712-N752 HydrophobicContact CE2-CB 3.94Å; F712-N752 HydrophobicContact CG-CB 3.85Å; F712-N752 HydrophobicContact CZ-CB 3.78Å; D749-N752 PolarHBondContact O-N 3.3Å; V750-N752 VanDerWaalsContact C-N 3.33Å; V750-N752 PolarHBondContact O-N 3.03Å; N752-W754 VanDerWaalsContact C-N 3.3Å; N752-W754 PolarHBondContact O-N 3.26Å; N752-K755 PolarHBondContact O-N 2.69Å; N752-L756 PolarHBondContact O-N 3.38Å
753I95.2Very high92.4Very high0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-59.9-42.7169.5-67.5174.3000110A745 K746 D749 V750 K755 L756 C757 L771 I774 L775A745-I753 HydrophobicContact CB-CG1 4.39Å; K746-I753 WeakPolarHBondContact O-CD1 3.12Å; D749-I753 HydrophobicContact CB-CD1 4.36Å; D749-I753 HydrophobicContact CB-CG1 4.32Å; D749-I753 WeakPolarHBondContact O-CG1 3.43Å; D749-I753 PolarHBondContact O-N 3.35Å; V750-I753 PolarHBondContact O-N 3.32Å; I753-K755 PolarHBondContact O-N 3.12Å; I753-L756 PolarHBondContact O-N 3.21Å; I753-C757 PolarHBondContact O-N 3.32Å; I753-C757 PolarHBondContact O-SG 3.5Å; I753-L771 HydrophobicContact CG2-CB 3.92Å; I753-L771 HydrophobicContact CG2-CD2 4.29Å; I753-I774 HydrophobicContact CD1-CD1 4.46Å; I753-I774 HydrophobicContact CD1-CG2 4.13Å; I753-L775 HydrophobicContact CB-CD2 4.28Å; I753-L775 HydrophobicContact CG2-CD1 4.35Å; I753-L775 HydrophobicContact CG2-CD2 3.95Å; I753-L775 HydrophobicContact CG2-CG 3.98Å
754W95.1Very high91.7Very high26 Ų2633.9 Ų33.910%0.09817%0.167CC..Hα-helixtrans-59.8-44.7176.1-166.795000111.8V750 N752 L756 C757 D758 L775 L804 H806 L960V750-W754 WeakPolarHBondContact O-CB 3.36Å; V750-W754 PolarHBondContact O-N 3.08Å; N752-W754 VanDerWaalsContact C-N 3.3Å; N752-W754 PolarHBondContact O-N 3.26Å; W754-L756 VanDerWaalsContact C-N 3.35Å; W754-L756 PolarHBondContact O-N 3.13Å; W754-C757 PolarHBondContact O-N 3.47Å; W754-D758 HydrophobicContact CE3-CB 4.1Å; W754-D758 HydrophobicContact CH2-CB 4.24Å; W754-D758 HydrophobicContact CZ3-CB 3.81Å; W754-D758 VanDerWaalsContact O-CB 3.31Å; W754-D758 WeakPolarHBondContact O-CB 3.42Å; W754-D758 PolarHBondContact O-N 2.82Å; W754-L775 HydrophobicContact CB-CD1 4.31Å; W754-L775 HydrophobicContact CB-CD2 3.91Å; W754-L775 HydrophobicContact CG-CD1 4.44Å; W754-L804 PolarHBondContact NE1-O 2.87Å; W754-H806 HydrophobicContact CD2-CB 4.1Å; W754-H806 AromaticContact CD2-CD2 3.65Å; W754-H806 HydrophobicContact CE3-CB 4.48Å; W754-H806 AromaticContact CE3-CD2 3.77Å; W754-H806 AromaticContact CG-CD2 3.91Å; W754-H806 HydrophobicContact CH2-CB 4.19Å; W754-H806 HydrophobicContact CZ2-CB 3.74Å; W754-L960 HydrophobicContact CD2-CD1 3.9Å; W754-L960 VanDerWaalsContact CE2-CD1 3.5Å; W754-L960 HydrophobicContact CG-CD1 4.2Å; W754-L960 HydrophobicContact CH2-CD1 4.44Å; W754-L960 HydrophobicContact CZ2-CB 3.89Å; W754-L960 HydrophobicContact CZ2-CD1 3.81Å; W754-L960 HydrophobicContact CZ2-CG 4.44Å
755K94.5Very high91.2Very high43 Ų4334.7 Ų34.719%0.18717%0.171CC..Hα-helixtrans-65.4-34.2177.1-70164.7-1731560113.2W716 E751 N752 I753 F759W716-K755 HydrophobicContact CB-CD 4.01Å; W716-K755 HydrophobicContact CD2-CB 4.05Å; W716-K755 HydrophobicContact CD2-CD 3.84Å; W716-K755 HydrophobicContact CD2-CG 4.4Å; W716-K755 HydrophobicContact CE3-CB 3.99Å; W716-K755 HydrophobicContact CE3-CD 4Å; W716-K755 HydrophobicContact CG-CD 3.84Å; W716-K755 HydrophobicContact CH2-CB 3.96Å; W716-K755 HydrophobicContact CZ2-CB 4Å; W716-K755 HydrophobicContact CZ3-CB 3.94Å; E751-K755 WeakPolarHBondContact O-CD 3.5Å; E751-K755 WeakPolarHBondContact O-CG 3.48Å; E751-K755 WeakPolarHBondContact OE1-CE 3.28Å; E751-K755 IonicContact OE1-NZ 3.94Å; E751-K755 PolarHBondContact OE1-NZ 2.88Å; N752-K755 PolarHBondContact O-N 2.69Å; I753-K755 PolarHBondContact O-N 3.12Å; K755-F759 VanDerWaalsContact O-CB 3.26Å; K755-F759 WeakPolarHBondContact O-CB 3.11Å; K755-F759 PolarHBondContact O-N 2.82Å
756L94.8Very high90.9Very high0 Ų038.7 Ų38.70%020%0.197CC..Hα-helixtrans-68-47.5171.7-75.7171000111.3V613 F712 W716 F719 V743 N752 I753 W754 D758 F759 Y760V613-L756 HydrophobicContact CG1-CD1 4.07Å; V613-L756 HydrophobicContact CG2-CD1 4.13Å; F712-L756 HydrophobicContact CE1-CD1 3.81Å; F712-L756 HydrophobicContact CZ-CD1 3.67Å; W716-L756 HydrophobicContact CH2-CD2 4.11Å; W716-L756 HydrophobicContact CH2-CG 4.39Å; W716-L756 HydrophobicContact CZ3-CD2 4.48Å; W716-L756 HydrophobicContact CZ3-CG 4.5Å; F719-L756 HydrophobicContact CE1-CD2 4.3Å; F719-L756 HydrophobicContact CZ-CD2 4.25Å; V743-L756 HydrophobicContact CG1-CD1 4.48Å; N752-L756 PolarHBondContact O-N 3.38Å; I753-L756 PolarHBondContact O-N 3.21Å; W754-L756 VanDerWaalsContact C-N 3.35Å; W754-L756 PolarHBondContact O-N 3.13Å; L756-D758 VanDerWaalsContact C-N 3.31Å; L756-D758 PolarHBondContact O-N 3.22Å; L756-F759 WeakPolarHBondContact O-CB 3.34Å; L756-F759 PolarHBondContact O-N 3.33Å; L756-Y760 VanDerWaalsContact O-CD2 3.26Å; L756-Y760 WeakPolarHBondContact O-CD2 3.4Å; L756-Y760 PolarHBondContact O-N 3.44Å
757C94.7Very high90.7Very high0 Ų038.8 Ų38.80%020%0.196CC..Hα-helixtrans-58.7-43176-68.70000112I753 W754 Y760 M761 P768 L771 L772 L775 L960I753-C757 PolarHBondContact O-N 3.32Å; I753-C757 PolarHBondContact O-SG 3.5Å; W754-C757 PolarHBondContact O-N 3.47Å; C757-Y760 PolarHBondContact O-N 2.89Å; C757-M761 WeakPolarHBondContact O-CG 3.29Å; C757-M761 PolarHBondContact O-N 3.09Å; C757-P768 HydrophobicContact CB-CG 4.48Å; C757-L771 WeakPolarHBondContact SG-CB 3.05Å; C757-L772 HydrophobicContact CB-CD2 3.84Å; C757-L775 HydrophobicContact CB-CD1 4.09Å; C757-L960 HydrophobicContact CB-CD1 3.82Å; C757-L960 HydrophobicContact CB-CD2 4.21Å
758D92.5Very high90.7Very high32 Ų3237.1 Ų37.117%0.17119%0.185CC..Hα-helixtrans-60-45.6175.7-18057.7000111.6W754 L756 K762 L960W754-D758 HydrophobicContact CE3-CB 4.1Å; W754-D758 HydrophobicContact CH2-CB 4.24Å; W754-D758 HydrophobicContact CZ3-CB 3.81Å; W754-D758 VanDerWaalsContact O-CB 3.31Å; W754-D758 WeakPolarHBondContact O-CB 3.42Å; W754-D758 PolarHBondContact O-N 2.82Å; L756-D758 VanDerWaalsContact C-N 3.31Å; L756-D758 PolarHBondContact O-N 3.22Å; D758-K762 WeakPolarHBondContact O-CB 3.43Å; D758-K762 WeakPolarHBondContact O-CD 3.23Å; D758-K762 WeakPolarHBondContact O-CG 3.42Å; D758-K762 PolarHBondContact O-N 2.99Å; D758-K762 WeakPolarHBondContact OD1-CE 3Å; D758-K762 IonicContact OD1-NZ 2.73Å; D758-K762 PolarHBondContact OD1-NZ 2.81Å; D758-K762 IonicContact OD2-NZ 3.37Å; D758-K762 PolarHBondContact OD2-NZ 2.68Å; D758-L960 HydrophobicContact CB-CD1 3.96Å
759F92.4Very high90.7Very high10 Ų1034.8 Ų34.84%0.04418%0.18CC..Hα-helixtrans-62.4-47175.6177.4-94.6000112.4L601 V605 L611 K755 L756 M761 K762 H763 L765L601-F759 HydrophobicContact CD1-CE1 4.11Å; L601-F759 HydrophobicContact CD1-CE2 4.07Å; L601-F759 HydrophobicContact CD1-CZ 3.57Å; L601-F759 HydrophobicContact CD2-CD2 3.71Å; L601-F759 HydrophobicContact CD2-CE1 4.27Å; L601-F759 HydrophobicContact CD2-CE2 3.41Å; L601-F759 VanDerWaalsContact CD2-CE2 3.41Å; L601-F759 HydrophobicContact CD2-CG 4.26Å; L601-F759 HydrophobicContact CD2-CZ 3.72Å; L601-F759 HydrophobicContact CG-CD2 4.24Å; L601-F759 HydrophobicContact CG-CE1 4.33Å; L601-F759 HydrophobicContact CG-CE2 3.42Å; L601-F759 VanDerWaalsContact CG-CE2 3.42Å; L601-F759 HydrophobicContact CG-CZ 3.47Å; L601-F759 VanDerWaalsContact CG-CZ 3.47Å; V605-F759 HydrophobicContact CG2-CE1 4.43Å; V605-F759 HydrophobicContact CG2-CE2 4.17Å; V605-F759 HydrophobicContact CG2-CZ 3.51Å; L611-F759 HydrophobicContact CD2-CD1 4.3Å; L611-F759 HydrophobicContact CD2-CE1 3.97Å; K755-F759 VanDerWaalsContact O-CB 3.26Å; K755-F759 WeakPolarHBondContact O-CB 3.11Å; K755-F759 PolarHBondContact O-N 2.82Å; L756-F759 WeakPolarHBondContact O-CB 3.34Å; L756-F759 PolarHBondContact O-N 3.33Å; F759-M761 PolarHBondContact O-N 3.48Å; F759-K762 PolarHBondContact O-N 3.08Å; F759-H763 AromaticContact CD2-CD2 3.45Å; F759-H763 VanDerWaalsContact CD2-CD2 3.45Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.39Å; F759-H763 AromaticContact CD2-NE2 3.74Å; F759-H763 AromaticContact CE2-CD2 3.19Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.36Å; F759-H763 AromaticContact CE2-NE2 3.24Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.49Å; F759-H763 AromaticContact CG-CD2 3.95Å; F759-H763 AromaticContact CZ-CD2 3.51Å; F759-H763 AromaticContact CZ-NE2 3.82Å; F759-H763 WeakPolarHBondContact O-CB 3.21Å; F759-H763 PolarHBondContact O-CD2 3.31Å; F759-H763 PolarHBondContact O-N 2.87Å; F759-L765 HydrophobicContact CE1-CD1 4.32Å
760Y91.6Very high90.7Very high16 Ų1637.8 Ų37.86%0.06319%0.192CC..Hα-helixtrans-57.5-50177.2-92.1-117.1000111.5A338 L611 V613 L756 C757 K762 H763 K764 L765 P766 P768A338-Y760 HydrophobicContact CB-CE1 4.17Å; L611-Y760 HydrophobicContact CD2-CD2 4.44Å; L611-Y760 HydrophobicContact CD2-CE2 3.59Å; L611-Y760 HydrophobicContact CG-CE2 4.15Å; L611-Y760 PolarHBondContact O-OH 3.1Å; V613-Y760 HydrophobicContact CG2-CE2 4.24Å; L756-Y760 VanDerWaalsContact O-CD2 3.26Å; L756-Y760 WeakPolarHBondContact O-CD2 3.4Å; L756-Y760 PolarHBondContact O-N 3.44Å; C757-Y760 PolarHBondContact O-N 2.89Å; Y760-K762 PolarHBondContact O-N 2.8Å; Y760-H763 PolarHBondContact O-N 3.45Å; Y760-K764 PolarHBondContact O-N 3.26Å; Y760-L765 HydrophobicContact CD1-CB 3.47Å; Y760-L765 VanDerWaalsContact CD1-CB 3.47Å; Y760-L765 HydrophobicContact CD1-CD1 4.07Å; Y760-L765 HydrophobicContact CD1-CG 4.39Å; Y760-L765 HydrophobicContact CD2-CD1 4.17Å; Y760-L765 HydrophobicContact CE1-CB 4.1Å; Y760-L765 HydrophobicContact CE1-CD1 4.27Å; Y760-L765 HydrophobicContact CE2-CD1 4.38Å; Y760-L765 HydrophobicContact CG-CB 3.89Å; Y760-L765 HydrophobicContact CG-CD1 4.02Å; Y760-L765 HydrophobicContact CG-CG 4.49Å; Y760-L765 PolarHBondContact O-N 2.92Å; Y760-P766 WeakPolarHBondContact CD1-O 3.43Å; Y760-P768 HydrophobicContact CD1-CB 4.29Å; Y760-P768 HydrophobicContact CD1-CG 4.17Å; Y760-P768 HydrophobicContact CG-CG 4.22Å
761M88.1Confident90.8Very high14 Ų1437 Ų377%0.06919%0.187CC..Hα-helixtrans-62.5-43.1178.5-65.6-59.9-53.200111.8C757 F759 H763 K764 R767 E958 L960C757-M761 WeakPolarHBondContact O-CG 3.29Å; C757-M761 PolarHBondContact O-N 3.09Å; F759-M761 PolarHBondContact O-N 3.48Å; M761-H763 VanDerWaalsContact C-N 3.26Å; M761-H763 PolarHBondContact O-N 3.2Å; M761-K764 PolarHBondContact O-N 2.89Å; M761-R767 HydrophobicContact SD-CB 4.32Å; M761-R767 HydrophobicContact SD-CG 3.99Å; M761-E958 HydrophobicContact CE-CB 3.75Å; M761-E958 HydrophobicContact CE-CG 4.08Å; M761-L960 HydrophobicContact CG-CD2 4.16Å
762K86.8Confident90.9Very high89 Ų8933.3 Ų33.339%0.38717%0.17SC..Hα-helixtrans-63.3-29178.4-82.9163.1164.81420113.9I576 D758 F759 Y760I576-K762 HydrophobicContact CD1-CB 4.42Å; I576-K762 HydrophobicContact CD1-CD 3.88Å; I576-K762 HydrophobicContact CD1-CG 4.24Å; D758-K762 WeakPolarHBondContact O-CB 3.43Å; D758-K762 WeakPolarHBondContact O-CD 3.23Å; D758-K762 WeakPolarHBondContact O-CG 3.42Å; D758-K762 PolarHBondContact O-N 2.99Å; D758-K762 WeakPolarHBondContact OD1-CE 3Å; D758-K762 IonicContact OD1-NZ 2.73Å; D758-K762 PolarHBondContact OD1-NZ 2.81Å; D758-K762 IonicContact OD2-NZ 3.37Å; D758-K762 PolarHBondContact OD2-NZ 2.68Å; F759-K762 PolarHBondContact O-N 3.08Å; Y760-K762 PolarHBondContact O-N 2.8Å
763H86.8Confident90.9Very high18 Ų1833.8 Ų33.88%0.08318%0.18CC..THydrogen-bonded Turntrans-100.39.4-179.3-76.9-66.8000114.6I576 W577 E602 F759 Y760 M761 L765I576-H763 WeakPolarHBondContact CG2-CE1 3.16Å; W577-H763 PolarHBondContact O-CE1 2.96Å; W577-H763 VanDerWaalsContact O-CE1 3.27Å; W577-H763 PolarHBondContact O-ND1 3.44Å; E602-H763 IonicContact OE1-CE1 3.69Å; E602-H763 IonicContact OE1-NE2 2.74Å; E602-H763 PolarHBondContact OE1-NE2 3.11Å; E602-H763 IonicContact OE2-CE1 3.71Å; E602-H763 PolarHBondContact OE2-CE1 3.03Å; E602-H763 IonicContact OE2-NE2 2.63Å; E602-H763 PolarHBondContact OE2-NE2 3.29Å; E602-H763 VanDerWaalsContact OE2-NE2 3.1Å; F759-H763 AromaticContact CD2-CD2 3.45Å; F759-H763 VanDerWaalsContact CD2-CD2 3.45Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.39Å; F759-H763 AromaticContact CD2-NE2 3.74Å; F759-H763 AromaticContact CE2-CD2 3.19Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.36Å; F759-H763 AromaticContact CE2-NE2 3.24Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.49Å; F759-H763 AromaticContact CG-CD2 3.95Å; F759-H763 AromaticContact CZ-CD2 3.51Å; F759-H763 AromaticContact CZ-NE2 3.82Å; F759-H763 WeakPolarHBondContact O-CB 3.21Å; F759-H763 PolarHBondContact O-CD2 3.31Å; F759-H763 PolarHBondContact O-N 2.87Å; Y760-H763 PolarHBondContact O-N 3.45Å; M761-H763 VanDerWaalsContact C-N 3.26Å; M761-H763 PolarHBondContact O-N 3.2Å; H763-L765 HydrophobicContact CB-CD1 4.45Å; H763-L765 HydrophobicContact CB-CD2 4.38Å; H763-L765 HydrophobicContact CB-CG 3.98Å; H763-L765 PolarHBondContact O-N 2.71Å
764K82.5Confident90.9Very high102 Ų10234.5 Ų34.544%0.44318%0.184SC..THydrogen-bonded Turntrans54.733-175.8-60.2-179.8165.3-171.90113.9D580 Y760 M761D580-K764 WeakPolarHBondContact OD2-CE 3.37Å; D580-K764 IonicContact OD2-NZ 2.99Å; D580-K764 PolarHBondContact OD2-NZ 2.92Å; Y760-K764 PolarHBondContact O-N 3.26Å; M761-K764 PolarHBondContact O-N 2.89Å
765L84.8Confident90.8Very high17 Ų1733.3 Ų33.39%0.08918%0.18CC..  trans-75.7158.7173.6-55.1-171.6000110.1A338 L340 F759 Y760 H763 R767A338-L765 HydrophobicContact CB-CB 4.47Å; A338-L765 HydrophobicContact CB-CD1 4.4Å; L340-L765 HydrophobicContact CD1-CD1 4.2Å; L340-L765 HydrophobicContact CD2-CD1 4.2Å; L340-L765 HydrophobicContact CD2-CD2 3.57Å; L340-L765 HydrophobicContact CD2-CG 4.44Å; L340-L765 HydrophobicContact CG-CD1 4.29Å; L340-L765 HydrophobicContact CG-CD2 3.78Å; F759-L765 HydrophobicContact CE1-CD1 4.32Å; Y760-L765 HydrophobicContact CD1-CB 3.47Å; Y760-L765 VanDerWaalsContact CD1-CB 3.47Å; Y760-L765 HydrophobicContact CD1-CD1 4.07Å; Y760-L765 HydrophobicContact CD1-CG 4.39Å; Y760-L765 HydrophobicContact CD2-CD1 4.17Å; Y760-L765 HydrophobicContact CE1-CB 4.1Å; Y760-L765 HydrophobicContact CE1-CD1 4.27Å; Y760-L765 HydrophobicContact CE2-CD1 4.38Å; Y760-L765 HydrophobicContact CG-CB 3.89Å; Y760-L765 HydrophobicContact CG-CD1 4.02Å; Y760-L765 HydrophobicContact CG-CG 4.49Å; Y760-L765 PolarHBondContact O-N 2.92Å; H763-L765 HydrophobicContact CB-CD1 4.45Å; H763-L765 HydrophobicContact CB-CD2 4.38Å; H763-L765 HydrophobicContact CB-CG 3.98Å; H763-L765 PolarHBondContact O-N 2.71Å; L765-R767 PolarHBondContact O-N 2.87Å; L765-R767 VanDerWaalsContact O-N 3.17Å
766P86.4Confident90.7Very high85 Ų8532.6 Ų32.655%0.55218%0.18SC*.  trans-49.2124.8176.3-28.135.9000110.9Y760 P768Y760-P766 WeakPolarHBondContact CD1-O 3.43Å; P766-P768 WeakPolarHBondContact O-CD 3.36Å; P766-P768 VanDerWaalsContact O-N 3.11Å
767R88.1Confident90.6Very high55 Ų5537.9 Ų37.921%0.20821%0.205CC..  trans-58.4114.8-173.7177.1174.4170.992-14.6109.5M761 L765 G769 L772 H1024 D1026M761-R767 HydrophobicContact SD-CB 4.32Å; M761-R767 HydrophobicContact SD-CG 3.99Å; L765-R767 PolarHBondContact O-N 2.87Å; L765-R767 VanDerWaalsContact O-N 3.17Å; R767-G769 VanDerWaalsContact C-N 3.31Å; R767-G769 PolarHBondContact O-N 3.37Å; R767-L772 HydrophobicContact CG-CD1 3.76Å; R767-H1024 WeakPolarHBondContact CD-NE2 3.48Å; R767-H1024 VanDerWaalsContact CZ-CD2 3.46Å; R767-H1024 PolarHBondContact NE-CD2 3.12Å; R767-H1024 PolarHBondContact NE-NE2 2.84Å; R767-H1024 VanDerWaalsContact NE-NE2 3.14Å; R767-D1026 IonicContact NH2-OD2 2.93Å
768P91Very high90.3Very high5 Ų540.9 Ų40.93%0.03222%0.216CC..  trans-80.578.4-166.332-36.3000110.9C757 Y760 P766 H770 L771 L772C757-P768 HydrophobicContact CB-CG 4.48Å; Y760-P768 HydrophobicContact CD1-CB 4.29Å; Y760-P768 HydrophobicContact CD1-CG 4.17Å; Y760-P768 HydrophobicContact CG-CG 4.22Å; P766-P768 WeakPolarHBondContact O-CD 3.36Å; P766-P768 VanDerWaalsContact O-N 3.11Å; P768-H770 VanDerWaalsContact C-N 3.3Å; P768-H770 PolarHBondContact O-N 2.89Å; P768-L771 HydrophobicContact CB-CB 4.1Å; P768-L771 HydrophobicContact CB-CD1 3.91Å; P768-L771 HydrophobicContact CB-CG 4.06Å; P768-L771 HydrophobicContact CG-CB 4.4Å; P768-L771 HydrophobicContact CG-CD1 4.36Å; P768-L771 PolarHBondContact O-N 2.93Å; P768-L772 WeakPolarHBondContact O-CG 3.02Å; P768-L772 PolarHBondContact O-N 3.34Å
769G90.5Very high90.1Very high45 Ų4540.3 Ų40.346%0.46421%0.211SC..Hα-helixtrans-55.1-40.9-169.300000113.8R767 L772 G773R767-G769 VanDerWaalsContact C-N 3.31Å; R767-G769 PolarHBondContact O-N 3.37Å; G769-L772 PolarHBondContact O-N 3.39Å; G769-G773 PolarHBondContact O-N 2.86Å
770H91.1Very high89.8Confident105 Ų10543.2 Ų43.249%0.48623%0.227SC..Hα-helixtrans-63.9-44177.2-178.1-137.5000112.5P768 L772 G773 I774P768-H770 VanDerWaalsContact C-N 3.3Å; P768-H770 PolarHBondContact O-N 2.89Å; H770-L772 PolarHBondContact O-N 2.66Å; H770-G773 PolarHBondContact O-N 3Å; H770-I774 PolarHBondContact O-N 3.04Å; H770-I774 VanDerWaalsContact O-N 3.14Å
771L94.9Very high89.6Confident4 Ų445.7 Ų45.72%0.02124%0.239CC..Hα-helixtrans-65.1-38.6177.1-59.5-172.8000112V613 V615 I753 C757 P768 G773 I774 L775V613-L771 HydrophobicContact CB-CD1 4.37Å; V613-L771 HydrophobicContact CG1-CD1 4.01Å; V613-L771 HydrophobicContact CG1-CD2 4.23Å; V615-L771 HydrophobicContact CG2-CD2 3.36Å; I753-L771 HydrophobicContact CG2-CB 3.92Å; I753-L771 HydrophobicContact CG2-CD2 4.29Å; C757-L771 WeakPolarHBondContact SG-CB 3.05Å; P768-L771 HydrophobicContact CB-CB 4.1Å; P768-L771 HydrophobicContact CB-CD1 3.91Å; P768-L771 HydrophobicContact CB-CG 4.06Å; P768-L771 HydrophobicContact CG-CB 4.4Å; P768-L771 HydrophobicContact CG-CD1 4.36Å; P768-L771 PolarHBondContact O-N 2.93Å; L771-G773 VanDerWaalsContact C-N 3.31Å; L771-I774 HydrophobicContact CD2-CD1 4.44Å; L771-I774 PolarHBondContact O-N 2.9Å; L771-L775 WeakPolarHBondContact O-CG 3.44Å; L771-L775 PolarHBondContact O-N 2.83Å
772L94.1Very high89.3Confident11 Ų1148.8 Ų48.86%0.05825%0.254CS..Hα-helixtrans-64.6-36.6173.6-62.7179.6000111.8C757 R767 P768 G769 H770 L775 S776 L804 L960C757-L772 HydrophobicContact CB-CD2 3.84Å; R767-L772 HydrophobicContact CG-CD1 3.76Å; P768-L772 WeakPolarHBondContact O-CG 3.02Å; P768-L772 PolarHBondContact O-N 3.34Å; G769-L772 PolarHBondContact O-N 3.39Å; H770-L772 PolarHBondContact O-N 2.66Å; L772-L775 HydrophobicContact CD2-CD1 4.28Å; L772-L775 PolarHBondContact O-N 3.17Å; L772-S776 PolarHBondContact O-N 2.77Å; L772-S776 PolarHBondContact O-OG 2.9Å; L772-L804 HydrophobicContact CB-CD2 4.22Å; L772-L804 HydrophobicContact CD2-CD1 4.19Å; L772-L804 HydrophobicContact CD2-CD2 4.25Å; L772-L960 HydrophobicContact CD2-CD2 3.65Å
773G93.4Very high88.8Confident32 Ų3245.7 Ų45.733%0.3324%0.24SC..Hα-helixtrans-55-52.9171.600000112.1G769 H770 L771 L775 S776 Q777G769-G773 PolarHBondContact O-N 2.86Å; H770-G773 PolarHBondContact O-N 3Å; L771-G773 VanDerWaalsContact C-N 3.31Å; G773-L775 VanDerWaalsContact C-N 3.31Å; G773-L775 PolarHBondContact O-N 3.4Å; G773-S776 PolarHBondContact O-N 3.01Å; G773-S776 VanDerWaalsContact O-N 3.08Å; G773-S776 PolarHBondContact O-OG 3.28Å; G773-Q777 PolarHBondContact O-N 3.13Å
774I94Very high88.1Confident16 Ų1651 Ų518%0.08227%0.265CS..Hα-helixtrans-56.3-44.2178.1-63.1165.7000111.4V615 I753 H770 L771 S776 R778V615-I774 HydrophobicContact CB-CD1 4.31Å; V615-I774 HydrophobicContact CG1-CD1 3.73Å; V615-I774 HydrophobicContact CG2-CD1 3.72Å; I753-I774 HydrophobicContact CD1-CD1 4.46Å; I753-I774 HydrophobicContact CD1-CG2 4.13Å; H770-I774 PolarHBondContact O-N 3.04Å; H770-I774 VanDerWaalsContact O-N 3.14Å; L771-I774 HydrophobicContact CD2-CD1 4.44Å; L771-I774 PolarHBondContact O-N 2.9Å; I774-S776 PolarHBondContact O-N 3.34Å; I774-R778 HydrophobicContact CG2-CG 4.44Å; I774-R778 WeakPolarHBondContact O-CB 3.24Å; I774-R778 WeakPolarHBondContact O-CG 3.29Å; I774-R778 PolarHBondContact O-N 3.46Å
775L94Very high87.6Confident1 Ų153 Ų531%0.00528%0.28CS..Hα-helixtrans-61.9-43.3177.1-64.7173.6000111.9V750 I753 W754 C757 L771 L772 G773 R779 L804V750-L775 HydrophobicContact CG1-CD2 3.76Å; I753-L775 HydrophobicContact CB-CD2 4.28Å; I753-L775 HydrophobicContact CG2-CD1 4.35Å; I753-L775 HydrophobicContact CG2-CD2 3.95Å; I753-L775 HydrophobicContact CG2-CG 3.98Å; W754-L775 HydrophobicContact CB-CD1 4.31Å; W754-L775 HydrophobicContact CB-CD2 3.91Å; W754-L775 HydrophobicContact CG-CD1 4.44Å; C757-L775 HydrophobicContact CB-CD1 4.09Å; L771-L775 WeakPolarHBondContact O-CG 3.44Å; L771-L775 PolarHBondContact O-N 2.83Å; L772-L775 HydrophobicContact CD2-CD1 4.28Å; L772-L775 PolarHBondContact O-N 3.17Å; G773-L775 VanDerWaalsContact C-N 3.31Å; G773-L775 PolarHBondContact O-N 3.4Å; L775-R779 WeakPolarHBondContact O-CG 3.38Å; L775-R779 PolarHBondContact O-N 2.89Å; L775-L804 HydrophobicContact CB-CD2 4.32Å
776S92.9Very high86.6Confident27 Ų2758.3 Ų58.319%0.18930%0.304CS..Hα-helixtrans-68.2-40.9-179.868.10000113.1L772 G773 I774 R779 L780L772-S776 PolarHBondContact O-N 2.77Å; L772-S776 PolarHBondContact O-OG 2.9Å; G773-S776 PolarHBondContact O-N 3.01Å; G773-S776 VanDerWaalsContact O-N 3.08Å; G773-S776 PolarHBondContact O-OG 3.28Å; I774-S776 PolarHBondContact O-N 3.34Å; S776-R779 PolarHBondContact O-N 3.32Å; S776-L780 PolarHBondContact O-N 3.42Å
777Q91.2Very high85.5Confident111 Ų11162 Ų6252%0.51931%0.314SS..Hα-helixtrans-64.4-45.5177.2180179.8-24.200111.1G773 R779 L780 E781G773-Q777 PolarHBondContact O-N 3.13Å; Q777-R779 PolarHBondContact O-N 3.09Å; Q777-L780 WeakPolarHBondContact O-CB 3.26Å; Q777-L780 PolarHBondContact O-N 2.79Å; Q777-E781 HydrophobicContact CG-CG 4.45Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.48Å; Q777-E781 PolarHBondContact NE2-OE1 2.81Å; Q777-E781 PolarHBondContact O-N 3.28Å; Q777-E781 VanDerWaalsContact O-N 3.09Å
778R89.5Confident84.1Confident64 Ų6461 Ų6124%0.24232%0.315CS..Hα-helixtrans-59.7-33.9178.7-72.5-76.9-176.2-147.35112.9P747 V750 I774 L780 E781 E782P747-R778 PolarHBondContact O-NE 3.05Å; P747-R778 PolarHBondContact O-NH2 3.4Å; V750-R778 HydrophobicContact CG1-CB 4.3Å; V750-R778 HydrophobicContact CG2-CB 4.19Å; V750-R778 HydrophobicContact CG2-CG 3.71Å; I774-R778 HydrophobicContact CG2-CG 4.44Å; I774-R778 WeakPolarHBondContact O-CB 3.24Å; I774-R778 WeakPolarHBondContact O-CG 3.29Å; I774-R778 PolarHBondContact O-N 3.46Å; R778-L780 VanDerWaalsContact C-N 3.28Å; R778-L780 PolarHBondContact O-N 3.13Å; R778-E781 WeakPolarHBondContact CD-OE2 3.25Å; R778-E781 IonicContact CZ-OE2 2.82Å; R778-E781 IonicContact NE-OE2 2.63Å; R778-E781 IonicContact NH1-OE2 3.82Å; R778-E781 PolarHBondContact NH1-OE2 3.11Å; R778-E781 PolarHBondContact O-N 2.72Å; R778-E782 WeakPolarHBondContact O-CB 3.45Å; R778-E782 WeakPolarHBondContact O-CG 3.44Å; R778-E782 PolarHBondContact O-N 2.69Å
779R87.9Confident82.4Confident19 Ų1967 Ų677%0.07235%0.351CS..Hα-helixtrans-69.7-20.2175.3-68.9-73.5176-97.5-14.4114.3L775 S776 Q777 E782 C803 R805 H806 H812L775-R779 WeakPolarHBondContact O-CG 3.38Å; L775-R779 PolarHBondContact O-N 2.89Å; S776-R779 PolarHBondContact O-N 3.32Å; Q777-R779 PolarHBondContact O-N 3.09Å; R779-E782 WeakPolarHBondContact CD-OE2 3.34Å; R779-E782 IonicContact CZ-OE2 2.67Å; R779-E782 IonicContact NE-OE2 3.7Å; R779-E782 IonicContact NH1-OE1 2.72Å; R779-E782 PolarHBondContact NH1-OE1 3.49Å; R779-E782 IonicContact NH1-OE2 3.23Å; R779-E782 PolarHBondContact NH1-OE2 3.46Å; R779-C803 HydrophobicContact CB-CB 4.47Å; R779-R805 PolarHBondContact NE-O 3.23Å; R779-R805 PolarHBondContact NH2-O 3.44Å; R779-H806 PolarHBondContact NH2-O 3.4Å; R779-H812 PolarHBondContact O-ND1 2.96Å; R779-H812 VanDerWaalsContact O-ND1 3.09Å
780L86.1Confident81.2Confident72 Ų7266.2 Ų66.238%0.37734%0.338SS..Hα-helixtrans-80.2-53.2169.8-63.2171.2000109.5S776 Q777 R778 E782 Q783 E784 M797 H812S776-L780 PolarHBondContact O-N 3.42Å; Q777-L780 WeakPolarHBondContact O-CB 3.26Å; Q777-L780 PolarHBondContact O-N 2.79Å; R778-L780 VanDerWaalsContact C-N 3.28Å; R778-L780 PolarHBondContact O-N 3.13Å; L780-E782 PolarHBondContact O-N 3.05Å; L780-Q783 CarbonylContact O-C 3.55Å; L780-Q783 WeakPolarHBondContact O-CA 3.17Å; L780-Q783 PolarHBondContact O-N 3.17Å; L780-E784 PolarHBondContact O-N 2.97Å; L780-M797 HydrophobicContact CD2-CE 3.82Å; L780-H812 HydrophobicContact CD2-CB 3.99Å
781E86.6Confident80.1Confident67 Ų6769.5 Ų69.531%0.31335%0.347SS..Hα-helixtrans-56.1-45.3-179.2-66.1171.9179.800112.9Q777 R778 Q783 E784 L785Q777-E781 HydrophobicContact CG-CG 4.45Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.48Å; Q777-E781 PolarHBondContact NE2-OE1 2.81Å; Q777-E781 PolarHBondContact O-N 3.28Å; Q777-E781 VanDerWaalsContact O-N 3.09Å; R778-E781 WeakPolarHBondContact CD-OE2 3.25Å; R778-E781 IonicContact CZ-OE2 2.82Å; R778-E781 IonicContact NE-OE2 2.63Å; R778-E781 IonicContact NH1-OE2 3.82Å; R778-E781 PolarHBondContact NH1-OE2 3.11Å; R778-E781 PolarHBondContact O-N 2.72Å; E781-Q783 PolarHBondContact O-N 3.15Å; E781-Q783 VanDerWaalsContact O-N 3.13Å; E781-E784 PolarHBondContact O-N 2.66Å; E781-E784 VanDerWaalsContact O-N 3.15Å; E781-L785 PolarHBondContact O-N 2.93Å
782E82.3Confident79.4Confident80 Ų8071.8 Ų71.837%0.37436%0.363SS..Hα-helixtrans-53.8-32.9175.3-78.4167.5175.700112.7R778 R779 L780 H786R778-E782 WeakPolarHBondContact O-CB 3.45Å; R778-E782 WeakPolarHBondContact O-CG 3.44Å; R778-E782 PolarHBondContact O-N 2.69Å; R779-E782 WeakPolarHBondContact CD-OE2 3.34Å; R779-E782 IonicContact CZ-OE2 2.67Å; R779-E782 IonicContact NE-OE2 3.7Å; R779-E782 IonicContact NH1-OE1 2.72Å; R779-E782 PolarHBondContact NH1-OE1 3.49Å; R779-E782 IonicContact NH1-OE2 3.23Å; R779-E782 PolarHBondContact NH1-OE2 3.46Å; L780-E782 PolarHBondContact O-N 3.05Å; E782-H786 PolarHBondContact O-N 2.6Å; E782-H786 VanDerWaalsContact O-N 3.11Å; E782-H786 PolarHBondContact O-ND1 2.62Å
783Q75.9Confident79.1Confident24 Ų2472.4 Ų72.411%0.11237%0.366CS..Hα-helixtrans-99.5-5-175-164.6-115.3-75.600113.5L780 E781 H786L780-Q783 CarbonylContact O-C 3.55Å; L780-Q783 WeakPolarHBondContact O-CA 3.17Å; L780-Q783 PolarHBondContact O-N 3.17Å; E781-Q783 PolarHBondContact O-N 3.15Å; E781-Q783 VanDerWaalsContact O-N 3.13Å; Q783-H786 CarbonylContact C-O 3.54Å; Q783-H786 VanDerWaalsContact O-O 3.04Å
784E73.6Confident79Confident130 Ų13070.9 Ų70.961%0.60735%0.351SS*.Hα-helixtrans-83.3-31161.1-59.4-152.1123.500111L780 E781 K1041L780-E784 PolarHBondContact O-N 2.97Å; E781-E784 PolarHBondContact O-N 2.66Å; E781-E784 VanDerWaalsContact O-N 3.15Å; E784-K1041 IonicContact OE1-NZ 2.67Å; E784-K1041 PolarHBondContact OE1-NZ 2.93Å
785L71Confident78.8Confident143 Ų14375.5 Ų75.575%0.74937%0.372SS*.Hα-helixtrans-75.1-44.3174.1-166.270.4000112.4E781E781-L785 PolarHBondContact O-N 2.93Å
786H65.2Low78.7Confident128 Ų12875.8 Ų75.859%0.59337%0.373SS*.SBendtrans-100.7112.3176.5-54.982.7000109.7E782 Q783E782-H786 PolarHBondContact O-N 2.6Å; E782-H786 VanDerWaalsContact O-N 3.11Å; E782-H786 PolarHBondContact O-ND1 2.62Å; Q783-H786 CarbonylContact C-O 3.54Å; Q783-H786 VanDerWaalsContact O-O 3.04Å
787Q61.5Low78.7Confident164 Ų16474.8 Ų74.877%0.76637%0.365SS*.  trans-50.3142.8178.3-67.7-172.26.700111.5T789Q787-T789 PolarHBondContact O-N 3.04Å
788P60.3Low78.7Confident34 Ų3470.6 Ų70.622%0.22135%0.35CS..  trans-66.293.5-170.126.1-35.2000112.6S790 R811P788-S790 PolarHBondContact O-N 2.99Å; P788-R811 HydrophobicContact CB-CB 4.46Å; P788-R811 HydrophobicContact CB-CG 4.39Å
789T55.3Low78.8Confident130 Ų13068 Ų6880%0.79834%0.342SS*.  trans-65.1-22.7179.851.60000113.7Q787Q787-T789 PolarHBondContact O-N 3.04Å
790S63.8Low79.1Confident28 Ų2868.2 Ų68.220%0.19634%0.344CS..  trans-103.3130174.1179.40000111.8P788 S792 M809P788-S790 PolarHBondContact O-N 2.99Å; S790-S792 PolarHBondContact O-N 2.93Å; S790-S792 PolarHBondContact OG-N 2.9Å; S790-S792 VanDerWaalsContact OG-N 3.16Å; S790-S792 PolarHBondContact OG-OG 3.24Å; S790-M809 WeakPolarHBondContact CB-O 3.17Å
791R68.9Low79.4Confident174 Ų17465.4 Ų65.466%0.65733%0.332SS*.SBendtrans-65.7-24.6170.6-67-177.9176-174.1-3112.7R811 W815R791-R811 PolarHBondContact O-NE 2.86Å; R791-R811 PolarHBondContact O-NH2 2.84Å; R791-W815 HydrophobicContact CB-CH2 4.36Å
792S81Confident79.8Confident53 Ų5362.7 Ų62.737%0.37132%0.319SS..SBendtrans-91.2130.8-171.557.70000113.5S790 Y810 R811S790-S792 PolarHBondContact O-N 2.93Å; S790-S792 PolarHBondContact OG-N 2.9Å; S790-S792 VanDerWaalsContact OG-N 3.16Å; S790-S792 PolarHBondContact OG-OG 3.24Å; S792-Y810 WeakPolarHBondContact OG-CD1 3.25Å; S792-R811 PolarHBondContact O-N 3.27Å
793L86.9Confident80.3Confident23 Ų2359 Ų5912%0.1230%0.302CS..BIsolated β-bridgetrans-63.9140.1175.2-170.667.1000111H795 M797 A798 R811 M814L793-H795 PolarHBondContact O-N 3.34Å; L793-M797 HydrophobicContact CD1-CG 4.38Å; L793-A798 HydrophobicContact CD2-CB 3.84Å; L793-A798 HydrophobicContact CG-CB 4.23Å; L793-R811 CarbonylContact C-O 3.46Å; L793-R811 WeakPolarHBondContact CA-O 3.11Å; L793-M814 HydrophobicContact CD2-CG 4.47Å
794C90.3Very high81Confident0 Ų057.9 Ų57.90%030%0.297CS..PPolyproline II helixtrans-65.8128.1-177.8177.50000110.6Q796 M797 A798 R811 H812C794-Q796 PolarHBondContact O-N 2.71Å; C794-M797 HydrophobicContact CB-CB 3.89Å; C794-M797 WeakPolarHBondContact O-CB 3.39Å; C794-M797 PolarHBondContact O-N 3.02Å; C794-A798 PolarHBondContact O-N 3.27Å; C794-R811 VanDerWaalsContact CB-O 3.31Å; C794-R811 WeakPolarHBondContact CB-O 3.5Å; C794-R811 PolarHBondContact N-O 2.95Å; C794-H812 WeakPolarHBondContact CB-CD2 3.46Å
795H89.8Confident81.8Confident114 Ų11454.5 Ų54.553%0.52828%0.279SS..THydrogen-bonded Turntrans-63.5-25.9-175.7-72.249000113.8L793 A799L793-H795 PolarHBondContact O-N 3.34Å; H795-A799 WeakPolarHBondContact O-CB 3.31Å; H795-A799 PolarHBondContact O-N 3.27Å
796Q93Very high82.4Confident6 Ų650.5 Ų50.53%0.02826%0.256CS..THydrogen-bonded Turntrans-75.5-43.1170.6-73-162.64.400111.5C794 A798 A799 F800 D802 R805 L960 D961 R962C794-Q796 PolarHBondContact O-N 2.71Å; Q796-A798 PolarHBondContact O-N 2.83Å; Q796-A799 PolarHBondContact O-N 2.67Å; Q796-F800 HydrophobicContact CB-CD2 4.28Å; Q796-F800 WeakPolarHBondContact O-CD2 3.31Å; Q796-F800 PolarHBondContact O-N 3.17Å; Q796-D802 CarbonylContact C-O 3.58Å; Q796-D802 VanDerWaalsContact C-O 3.26Å; Q796-R805 HydrophobicContact CG-CG 4.49Å; Q796-L960 PolarHBondContact NE2-O 3.16Å; Q796-D961 PolarHBondContact NE2-O 2.94Å; Q796-R962 VanDerWaalsContact OE1-NH1 3.11Å
797M92.1Very high83.3Confident7 Ų752.2 Ų52.23%0.03426%0.262CS..Hα-helixtrans-59.1-49.9177.3-178.95479.300110.6L780 L793 C794 A799 F800 G801 D802 H812 M1036L780-M797 HydrophobicContact CD2-CE 3.82Å; L793-M797 HydrophobicContact CD1-CG 4.38Å; C794-M797 HydrophobicContact CB-CB 3.89Å; C794-M797 WeakPolarHBondContact O-CB 3.39Å; C794-M797 PolarHBondContact O-N 3.02Å; M797-A799 PolarHBondContact O-N 3.29Å; M797-F800 PolarHBondContact O-N 2.97Å; M797-G801 WeakPolarHBondContact O-CA 3.46Å; M797-G801 PolarHBondContact O-N 2.9Å; M797-G801 VanDerWaalsContact SD-O 3.38Å; M797-D802 PolarHBondContact N-O 3.01Å; M797-H812 HydrophobicContact CE-CB 3.99Å; M797-M1036 HydrophobicContact CG-CG 4.19Å; M797-M1036 HydrophobicContact CG-SD 3.58Å; M797-M1036 VanDerWaalsContact CG-SD 3.58Å; M797-M1036 HydrophobicContact SD-CB 4.16Å; M797-M1036 HydrophobicContact SD-CG 3.82Å; M797-M1036 HydrophobicContact SD-SD 3.7Å
798A91.3Very high84.5Confident23 Ų2345.7 Ų45.719%0.1923%0.234CC..Hα-helixtrans-66.9-3174.900000115.3L793 C794 Q796 R951L793-A798 HydrophobicContact CD2-CB 3.84Å; L793-A798 HydrophobicContact CG-CB 4.23Å; C794-A798 PolarHBondContact O-N 3.27Å; Q796-A798 PolarHBondContact O-N 2.83Å; A798-R951 PolarHBondContact O-NH1 2.74Å
799A92.5Very high85.6Confident10 Ų1051.1 Ų51.18%0.08326%0.258CS..Hα-helixtrans-112.6-33.8177.700000113.3H795 Q796 M797H795-A799 WeakPolarHBondContact O-CB 3.31Å; H795-A799 PolarHBondContact O-N 3.27Å; Q796-A799 PolarHBondContact O-N 2.67Å; M797-A799 PolarHBondContact O-N 3.29Å
800F93.7Very high87Confident23 Ų2349.4 Ų49.410%0.10124%0.238CC..Hα-helixtrans-135.1-5.2-164.8-51.5-66000114Q796 M797 D802 Q956 R962 K1032Q796-F800 HydrophobicContact CB-CD2 4.28Å; Q796-F800 WeakPolarHBondContact O-CD2 3.31Å; Q796-F800 PolarHBondContact O-N 3.17Å; M797-F800 PolarHBondContact O-N 2.97Å; F800-D802 WeakPolarHBondContact CB-OD1 3.44Å; F800-D802 PolarHBondContact O-N 2.89Å; F800-Q956 HydrophobicContact CE1-CB 3.89Å; F800-Q956 HydrophobicContact CZ-CB 4.04Å; F800-R962 VanDerWaalsContact CD2-CD 3.41Å; F800-R962 HydrophobicContact CE2-CB 4.14Å; F800-R962 HydrophobicContact CE2-CG 4.4Å; F800-K1032 WeakPolarHBondContact O-CB 3.5Å; F800-K1032 WeakPolarHBondContact O-CD 3.12Å
801G92.9Very high88.2Confident12 Ų1248.2 Ų48.212%0.12423%0.229CC..SBendtrans69.310.2-174.700000114.8M797M797-G801 WeakPolarHBondContact O-CA 3.46Å; M797-G801 PolarHBondContact O-N 2.9Å; M797-G801 VanDerWaalsContact SD-O 3.38Å
802D93.7Very high89.3Confident11 Ų1140.3 Ų40.36%0.05920%0.199CC..SBendtrans-149.1165.9176.161.510.8000111.8Q796 M797 F800 R962 K1032Q796-D802 CarbonylContact C-O 3.58Å; Q796-D802 VanDerWaalsContact C-O 3.26Å; M797-D802 PolarHBondContact N-O 3.01Å; F800-D802 WeakPolarHBondContact CB-OD1 3.44Å; F800-D802 PolarHBondContact O-N 2.89Å; D802-R962 PolarHBondContact O-NH1 2.86Å; D802-R962 IonicContact OD1-CZ 3.17Å; D802-R962 IonicContact OD1-NH1 2.67Å; D802-R962 PolarHBondContact OD1-NH1 2.74Å; D802-R962 IonicContact OD1-NH2 3.36Å; D802-R962 PolarHBondContact OD1-NH2 2.84Å; D802-R962 IonicContact OD2-NH2 2.73Å; D802-R962 PolarHBondContact OD2-NH2 3.47Å; D802-K1032 HydrophobicContact CB-CD 4.38Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.3Å; D802-K1032 IonicContact OD2-NZ 3.62Å; D802-K1032 PolarHBondContact OD2-NZ 2.76Å
803C92.7Very high89.6Confident1 Ų138.5 Ų38.51%0.00719%0.186CC..  trans-129.1124.8176.2-172.60000110.7R779 H812R779-C803 HydrophobicContact CB-CB 4.47Å; C803-H812 PolarHBondContact SG-NE2 3.31Å
804L92.6Very high89.7Confident2 Ų237.5 Ų37.51%0.0118%0.181CC..  trans-113.88.8-179-59.8178.8000112.8W754 L772 L775 L960W754-L804 PolarHBondContact NE1-O 2.87Å; L772-L804 HydrophobicContact CB-CD2 4.22Å; L772-L804 HydrophobicContact CD2-CD1 4.19Å; L772-L804 HydrophobicContact CD2-CD2 4.25Å; L775-L804 HydrophobicContact CB-CD2 4.32Å; L804-L960 HydrophobicContact CD1-CD2 4.48Å
805R89.1Confident89.6Confident59 Ų5939 Ų3922%0.22319%0.187CC..  trans-63.7143.6-179.9-68.2178.1166176.9-6.1111.7R779 Q796 K807 C808R779-R805 PolarHBondContact NE-O 3.23Å; R779-R805 PolarHBondContact NH2-O 3.44Å; Q796-R805 HydrophobicContact CG-CG 4.49Å; R805-K807 VanDerWaalsContact C-N 3.29Å; R805-K807 WeakPolarHBondContact CB-O 3.22Å; R805-K807 PolarHBondContact O-N 3.02Å; R805-C808 HydrophobicContact CB-CB 4.3Å
806H84.9Confident89.5Confident58 Ų5840.2 Ų40.227%0.26919%0.186SC..SBendtrans-60.9-36.9178.2-175.8-114.3000112.9E751 W754 R779E751-H806 IonicContact OE1-CE1 3.73Å; E751-H806 IonicContact OE1-NE2 3.4Å; E751-H806 PolarHBondContact OE1-NE2 2.96Å; E751-H806 IonicContact OE2-CD2 3.42Å; E751-H806 IonicContact OE2-CE1 2.7Å; E751-H806 IonicContact OE2-NE2 2.74Å; E751-H806 PolarHBondContact OE2-NE2 2.85Å; W754-H806 HydrophobicContact CD2-CB 4.1Å; W754-H806 AromaticContact CD2-CD2 3.65Å; W754-H806 HydrophobicContact CE3-CB 4.48Å; W754-H806 AromaticContact CE3-CD2 3.77Å; W754-H806 AromaticContact CG-CD2 3.91Å; W754-H806 HydrophobicContact CH2-CB 4.19Å; W754-H806 HydrophobicContact CZ2-CB 3.74Å; R779-H806 PolarHBondContact NH2-O 3.4Å
807K83.7Confident89.1Confident164 Ų16444.1 Ų44.171%0.71321%0.208SC*.SBendtrans-141.7151.3165.4-63.1-173.8179-1750108.5R805R805-K807 VanDerWaalsContact C-N 3.29Å; R805-K807 WeakPolarHBondContact CB-O 3.22Å; R805-K807 PolarHBondContact O-N 3.02Å
808C85.3Confident88.9Confident28 Ų2844.8 Ų44.819%0.18921%0.211CC..  trans-147.1126.4178.5-160.90000111.2R805 H812R805-C808 HydrophobicContact CB-CB 4.3Å; C808-H812 PolarHBondContact SG-NE2 2.97Å
809M83.4Confident88.7Confident147 Ų14745 Ų4572%0.72421%0.21SC*.  trans-99.513.4178.7-49.3-54.1-67.600112.6S790S790-M809 WeakPolarHBondContact CB-O 3.17Å
810Y86.3Confident88.5Confident95 Ų9550.7 Ų50.737%0.37324%0.238SC..SBendtrans-106.5151.3-175.7-64-94.8000110.6S792 H812S792-Y810 WeakPolarHBondContact OG-CD1 3.25Å; Y810-H812 PolarHBondContact O-N 3.09Å
811R88.9Confident88.4Confident3 Ų350.2 Ų50.21%0.01124%0.237CC..BIsolated β-bridgetrans-64.3131175.6170.5169.260.691.1-6.1110.4P788 R791 S792 L793 C794 V813 E818P788-R811 HydrophobicContact CB-CB 4.46Å; P788-R811 HydrophobicContact CB-CG 4.39Å; R791-R811 PolarHBondContact O-NE 2.86Å; R791-R811 PolarHBondContact O-NH2 2.84Å; S792-R811 PolarHBondContact O-N 3.27Å; L793-R811 CarbonylContact C-O 3.46Å; L793-R811 WeakPolarHBondContact CA-O 3.11Å; C794-R811 VanDerWaalsContact CB-O 3.31Å; C794-R811 WeakPolarHBondContact CB-O 3.5Å; C794-R811 PolarHBondContact N-O 2.95Å; R811-V813 VanDerWaalsContact CD-O 3.25Å; R811-V813 WeakPolarHBondContact CD-O 3.42Å; R811-V813 HydrophobicContact CG-CB 4.48Å; R811-V813 WeakPolarHBondContact CG-O 3.26Å; R811-V813 PolarHBondContact NH1-O 3.31Å; R811-E818 IonicContact CZ-OE1 3.67Å; R811-E818 IonicContact CZ-OE2 2.86Å; R811-E818 IonicContact NH1-OE1 2.71Å; R811-E818 IonicContact NH1-OE2 3.21Å; R811-E818 PolarHBondContact NH1-OE2 3.11Å; R811-E818 IonicContact NH2-OE1 3.97Å; R811-E818 PolarHBondContact NH2-OE1 3.41Å; R811-E818 IonicContact NH2-OE2 3.51Å; R811-E818 PolarHBondContact NH2-OE2 3.01Å
812H90.4Very high88.3Confident7 Ų751.4 Ų51.43%0.03224%0.243CC..  trans-103.60.6173.6-53.7119.4000113R779 L780 C794 M797 C803 C808 Y810R779-H812 PolarHBondContact O-ND1 2.96Å; R779-H812 VanDerWaalsContact O-ND1 3.09Å; L780-H812 HydrophobicContact CD2-CB 3.99Å; C794-H812 WeakPolarHBondContact CB-CD2 3.46Å; M797-H812 HydrophobicContact CE-CB 3.99Å; C803-H812 PolarHBondContact SG-NE2 3.31Å; C808-H812 PolarHBondContact SG-NE2 2.97Å; Y810-H812 PolarHBondContact O-N 3.09Å
813V87.6Confident88.1Confident15 Ų1557.8 Ų57.89%0.09128%0.277CS..SBendtrans-104.9122.4176174.50000110R811 K1041R811-V813 VanDerWaalsContact CD-O 3.25Å; R811-V813 WeakPolarHBondContact CD-O 3.42Å; R811-V813 HydrophobicContact CG-CB 4.48Å; R811-V813 WeakPolarHBondContact CG-O 3.26Å; R811-V813 PolarHBondContact NH1-O 3.31Å; V813-K1041 HydrophobicContact CG1-CB 3.98Å; V813-K1041 HydrophobicContact CG1-CD 3.87Å; V813-K1041 HydrophobicContact CG1-CG 3.7Å
814M88.6Confident88Confident2 Ų260 Ų601%0.0129%0.287CS..  trans-74.5143.7175.4-162.4176-158.700111.2L793 E818 V819 I996 H997 M1036 V1037 S1040 K1041L793-M814 HydrophobicContact CD2-CG 4.47Å; M814-E818 HydrophobicContact CE-CB 3.9Å; M814-E818 VanDerWaalsContact CE-O 3.22Å; M814-E818 WeakPolarHBondContact CE-O 3.49Å; M814-E818 HydrophobicContact CG-CB 4.02Å; M814-V819 HydrophobicContact CG-CG2 4.43Å; M814-V819 HydrophobicContact SD-CG2 3.94Å; M814-I996 HydrophobicContact CE-CG2 3.56Å; M814-I996 HydrophobicContact SD-CG2 4.14Å; M814-H997 HydrophobicContact CE-CB 3.79Å; M814-M1036 HydrophobicContact CB-CG 4.18Å; M814-M1036 HydrophobicContact SD-CE 3.8Å; M814-M1036 HydrophobicContact SD-SD 4.49Å; M814-V1037 HydrophobicContact SD-CG2 4.04Å; M814-S1040 VanDerWaalsContact O-CA 3.26Å; M814-S1040 WeakPolarHBondContact O-CA 3.41Å; M814-S1040 WeakPolarHBondContact O-CB 3.21Å; M814-K1041 PolarHBondContact O-N 3.09Å
815W88.8Confident88Confident32 Ų3260.2 Ų60.212%0.12129%0.288CS..BIsolated β-bridgetrans-87.8153.4170.9-61.6-40000111.6R791 D817 E818 V819 K1041 C1043 Y1045R791-W815 HydrophobicContact CB-CH2 4.36Å; W815-D817 VanDerWaalsContact C-N 3.33Å; W815-D817 WeakPolarHBondContact CB-OD1 3.46Å; W815-D817 PolarHBondContact O-N 3.21Å; W815-E818 HydrophobicContact CB-CG 4.11Å; W815-E818 HydrophobicContact CE3-CG 4.32Å; W815-E818 PolarHBondContact N-OE2 3.43Å; W815-E818 WeakPolarHBondContact O-CB 3.46Å; W815-E818 PolarHBondContact O-N 3.17Å; W815-V819 PolarHBondContact O-N 2.95Å; W815-K1041 CarbonylContact C-O 3.54Å; W815-K1041 VanDerWaalsContact CA-O 3.24Å; W815-K1041 WeakPolarHBondContact CA-O 3.46Å; W815-C1043 HydrophobicContact CB-CB 4.41Å; W815-C1043 HydrophobicContact CD2-CB 3.9Å; W815-C1043 HydrophobicContact CE3-CB 4.3Å; W815-C1043 HydrophobicContact CG-CB 3.96Å; W815-Y1045 HydrophobicContact CZ2-CD2 4.38Å
816R88.5Confident88.3Confident139 Ų13958.4 Ų58.453%0.52528%0.284SS..Hα-helixtrans-63.3-34.3-177-69.5-170.3-172.7140.76.5114.1E818 V819 K1041 D1042R816-E818 VanDerWaalsContact C-N 3.27Å; R816-V819 PolarHBondContact O-N 2.88Å; R816-K1041 PolarHBondContact N-O 3.08Å; R816-D1042 WeakPolarHBondContact CD-OD1 3.47Å; R816-D1042 IonicContact CZ-OD1 2.67Å; R816-D1042 IonicContact CZ-OD2 2.94Å; R816-D1042 IonicContact NE-OD1 3Å; R816-D1042 IonicContact NH1-OD1 3.21Å; R816-D1042 PolarHBondContact NH1-OD1 2.65Å; R816-D1042 IonicContact NH1-OD2 3.61Å; R816-D1042 PolarHBondContact NH1-OD2 3.5Å; R816-D1042 IonicContact NH2-OD2 2.71Å; R816-D1042 PolarHBondContact NH2-OD2 2.87Å
817D84.4Confident88.5Confident89 Ų8960.7 Ų60.748%0.47629%0.293SS..Hα-helixtrans-69-26.1173.864.7-47.2000112.4W815 M1046W815-D817 VanDerWaalsContact C-N 3.33Å; W815-D817 WeakPolarHBondContact CB-OD1 3.46Å; W815-D817 PolarHBondContact O-N 3.21Å; D817-M1046 HydrophobicContact CB-CE 4.09Å; D817-M1046 WeakPolarHBondContact OD2-CE 3.3Å
818E86.7Confident88.8Confident21 Ų2159 Ų5910%0.09829%0.291CS..Hα-helixtrans-77.4-23.5175.8-63177.5137.900113.4R811 M814 W815 R816 L820 H997R811-E818 IonicContact CZ-OE1 3.67Å; R811-E818 IonicContact CZ-OE2 2.86Å; R811-E818 IonicContact NH1-OE1 2.71Å; R811-E818 IonicContact NH1-OE2 3.21Å; R811-E818 PolarHBondContact NH1-OE2 3.11Å; R811-E818 IonicContact NH2-OE1 3.97Å; R811-E818 PolarHBondContact NH2-OE1 3.41Å; R811-E818 IonicContact NH2-OE2 3.51Å; R811-E818 PolarHBondContact NH2-OE2 3.01Å; M814-E818 HydrophobicContact CE-CB 3.9Å; M814-E818 VanDerWaalsContact CE-O 3.22Å; M814-E818 WeakPolarHBondContact CE-O 3.49Å; M814-E818 HydrophobicContact CG-CB 4.02Å; W815-E818 HydrophobicContact CB-CG 4.11Å; W815-E818 HydrophobicContact CE3-CG 4.32Å; W815-E818 PolarHBondContact N-OE2 3.43Å; W815-E818 WeakPolarHBondContact O-CB 3.46Å; W815-E818 PolarHBondContact O-N 3.17Å; R816-E818 VanDerWaalsContact C-N 3.27Å; E818-L820 PolarHBondContact O-N 3.12Å; E818-H997 WeakPolarHBondContact CA-ND1 3.12Å; E818-H997 WeakPolarHBondContact O-CA 3.49Å; E818-H997 WeakPolarHBondContact O-CB 3.4Å; E818-H997 PolarHBondContact O-N 2.9Å; E818-H997 PolarHBondContact O-ND1 2.84Å
819V88.6Confident89.2Confident27 Ų2759.1 Ų59.116%0.16430%0.297CS..Hα-helixtrans-57.4-50.8-173.9167.70000112M814 W815 R816 H997 V1037M814-V819 HydrophobicContact CG-CG2 4.43Å; M814-V819 HydrophobicContact SD-CG2 3.94Å; W815-V819 PolarHBondContact O-N 2.95Å; R816-V819 PolarHBondContact O-N 2.88Å; V819-H997 PolarHBondContact O-N 3.45Å; V819-V1037 HydrophobicContact CG1-CG1 3.62Å; V819-V1037 HydrophobicContact CG1-CG2 4.42Å; V819-V1037 HydrophobicContact CG2-CG1 4.29Å
820L88.7Confident89.8Confident130 Ų13057.6 Ų57.668%0.68129%0.292SS*.SBendtrans-76.5133.4-172.3-65.5176.9000111.3E818E818-L820 PolarHBondContact O-N 3.12Å
821P90.4Very high90.3Very high13 Ų1353.6 Ų53.68%0.08428%0.277CS..PPolyproline II helixtrans-74.9150172.633.1-36.3000111K827 A995 H997P821-K827 HydrophobicContact CG-CD 4.45Å; P821-K827 HydrophobicContact CG-CG 4.11Å; P821-A995 HydrophobicContact CB-CB 3.87Å; P821-A995 HydrophobicContact CG-CB 3.9Å; P821-A995 WeakPolarHBondContact CG-O 3.21Å; P821-H997 VanDerWaalsContact CA-O 3.26Å; P821-H997 WeakPolarHBondContact CA-O 3.41Å; P821-H997 WeakPolarHBondContact CB-O 3.44Å
822P90Very high90.6Very high37 Ų3759.2 Ų59.224%0.2430%0.298CS..PPolyproline II helixtrans-56147.6177.7-23.132.8000112.5H824 Y825 H997P822-H824 PolarHBondContact O-N 3.03Å; P822-Y825 HydrophobicContact CB-CD2 3.86Å; P822-Y825 HydrophobicContact CB-CE2 4.21Å; P822-Y825 HydrophobicContact CG-CD2 3.91Å; P822-Y825 HydrophobicContact CG-CE2 3.89Å; P822-Y825 VanDerWaalsContact O-CB 3.29Å; P822-Y825 WeakPolarHBondContact O-CB 3.13Å; P822-Y825 PolarHBondContact O-N 2.98Å; P822-H997 WeakPolarHBondContact CD-O 3.44Å
823D89.4Confident90.8Very high145 Ų14558.9 Ų58.978%0.77530%0.296SS*.THydrogen-bonded Turntrans-63.5-21.5-167.5-65.6-56.1000116.4Y825 K827D823-Y825 VanDerWaalsContact C-N 3.33Å; D823-K827 IonicContact OD1-NZ 2.64Å
824H91.3Very high91Very high47 Ų4759 Ų5922%0.21830%0.296CS..THydrogen-bonded Turntrans-80.5-12.1173.756.4-77.8000113.3P822 Q851P822-H824 PolarHBondContact O-N 3.03Å; H824-Q851 PolarHBondContact O-NE2 3.3Å; H824-Q851 PolarHBondContact O-OE1 3.16Å
825Y93.9Very high91.2Very high6 Ų660.2 Ų60.22%0.02430%0.304CS..SBendtrans-74.5133.4176.3-83.5-128.2000110.9P822 D823 K827 R945 M948 R998 I1000P822-Y825 HydrophobicContact CB-CD2 3.86Å; P822-Y825 HydrophobicContact CB-CE2 4.21Å; P822-Y825 HydrophobicContact CG-CD2 3.91Å; P822-Y825 HydrophobicContact CG-CE2 3.89Å; P822-Y825 VanDerWaalsContact O-CB 3.29Å; P822-Y825 WeakPolarHBondContact O-CB 3.13Å; P822-Y825 PolarHBondContact O-N 2.98Å; D823-Y825 VanDerWaalsContact C-N 3.33Å; Y825-K827 PolarHBondContact O-N 2.72Å; Y825-R945 HydrophobicContact CE2-CG 4.43Å; Y825-M948 HydrophobicContact CD1-SD 4.33Å; Y825-M948 HydrophobicContact CD2-CE 3.81Å; Y825-M948 HydrophobicContact CD2-CG 4.48Å; Y825-M948 HydrophobicContact CD2-SD 4.2Å; Y825-M948 HydrophobicContact CE1-CB 4.06Å; Y825-M948 HydrophobicContact CE1-CG 4.05Å; Y825-M948 HydrophobicContact CE1-SD 4.33Å; Y825-M948 HydrophobicContact CE2-CE 3.97Å; Y825-M948 HydrophobicContact CE2-CG 3.9Å; Y825-M948 HydrophobicContact CE2-SD 4.22Å; Y825-M948 HydrophobicContact CG-CE 4.34Å; Y825-M948 HydrophobicContact CG-SD 4.27Å; Y825-R998 VanDerWaalsContact CE1-C 3.46Å; Y825-R998 VanDerWaalsContact CE1-O 3.24Å; Y825-R998 WeakPolarHBondContact CE1-O 3.38Å; Y825-R998 PolarHBondContact OH-O 3.23Å; Y825-I1000 HydrophobicContact CD1-CD1 3.9Å; Y825-I1000 HydrophobicContact CD1-CG1 3.61Å; Y825-I1000 HydrophobicContact CE1-CD1 4.26Å; Y825-I1000 HydrophobicContact CE1-CG1 3.99Å
826P93.7Very high91.3Very high21 Ų2159.8 Ų59.814%0.13630%0.304CS..  trans-68.1121.817527.5-33000109.8I831 L848 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.77Å; P826-I831 HydrophobicContact CG-CG2 3.67Å; P826-L848 HydrophobicContact CG-CD1 3.76Å; P826-V992 HydrophobicContact CB-CG2 4.35Å; P826-V992 HydrophobicContact CG-CG2 4.24Å; P826-I1000 HydrophobicContact CG-CD1 3.95Å
827K89.9Confident91.4Very high107 Ų10755 Ų5547%0.46529%0.29SS..  trans-85.4-22.3-177.4-62.4174.9-175.6173.50112.4P821 D823 Y825P821-K827 HydrophobicContact CG-CD 4.45Å; P821-K827 HydrophobicContact CG-CG 4.11Å; D823-K827 IonicContact OD1-NZ 2.64Å; Y825-K827 PolarHBondContact O-N 2.72Å
828N90.4Very high91.7Very high127 Ų12751.3 Ų51.368%0.67927%0.271SS*.SBendtrans-158.2179.1173.358.640.5000110.3
829G93.9Very high92Very high31 Ų3152.7 Ų52.732%0.3228%0.275SS..EExtended strand (participates in β ladder)trans93.6-177.5170.700000115.7V991 V992G829-V991 WeakPolarHBondContact O-CA 3.41Å; G829-V992 PolarHBondContact O-N 3.14Å
830L95.6Very high92.2Very high116 Ų11652.1 Ų52.161%0.60727%0.273SS*.EExtended strand (participates in β ladder)trans-82.1131.9176.4-179.171.5000110.1H989 V991L830-H989 HydrophobicContact CD1-CB 4.3Å; L830-V991 HydrophobicContact CD1-CG2 4.07Å
831I96.3Very high92.4Very high10 Ų1046 Ų465%0.05124%0.241CC..EExtended strand (participates in β ladder)trans-121.6142.3176.755.9164.7000111.1P826 F833 L848 L950 H989 A990 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.77Å; P826-I831 HydrophobicContact CG-CG2 3.67Å; I831-F833 HydrophobicContact CD1-CD1 4Å; I831-F833 HydrophobicContact CD1-CE1 4.24Å; I831-F833 HydrophobicContact CG1-CD1 4.13Å; I831-F833 HydrophobicContact CG1-CE1 4.37Å; I831-L848 HydrophobicContact CB-CD2 4.21Å; I831-L848 HydrophobicContact CD1-CD2 4.05Å; I831-L950 HydrophobicContact CD1-CD1 3.64Å; I831-H989 VanDerWaalsContact O-CA 3.22Å; I831-H989 WeakPolarHBondContact O-CA 3.4Å; I831-H989 WeakPolarHBondContact O-CB 3.41Å; I831-A990 HydrophobicContact CG1-CB 4.36Å; I831-A990 VanDerWaalsContact CG1-O 3.29Å; I831-A990 WeakPolarHBondContact CG1-O 3.42Å; I831-A990 PolarHBondContact N-O 2.91Å; I831-A990 PolarHBondContact O-N 3.41Å; I831-A990 VanDerWaalsContact O-N 3.16Å; I831-V992 HydrophobicContact CD1-CG2 3.84Å; I831-V992 HydrophobicContact CG1-CG2 3.99Å; I831-V992 HydrophobicContact CG2-CG2 3.81Å; I831-I1000 HydrophobicContact CD1-CG2 4.39Å
832R95.4Very high92.6Very high121 Ų12145.7 Ų45.746%0.45724%0.24SC..EExtended strand (participates in β ladder)trans-109.2134.6167.7-62.6178-73.4-131.15.3110.2L848 S849 D850 F988 H989R832-L848 WeakPolarHBondContact O-CA 3.5Å; R832-S849 PolarHBondContact O-N 2.79Å; R832-D850 WeakPolarHBondContact CB-OD2 3.45Å; R832-D850 IonicContact CZ-OD1 2.75Å; R832-D850 VanDerWaalsContact CZ-OD1 3.27Å; R832-D850 IonicContact CZ-OD2 3.83Å; R832-D850 IonicContact NE-OD1 3.24Å; R832-D850 PolarHBondContact NE-OD1 3.4Å; R832-D850 IonicContact NE-OD2 2.96Å; R832-D850 PolarHBondContact NE-OD2 3.06Å; R832-D850 IonicContact NH2-OD1 2.78Å; R832-D850 PolarHBondContact NH2-OD1 2.61Å; R832-D850 IonicContact NH2-OD2 2.77Å; R832-F988 WeakPolarHBondContact CA-O 3.31Å; R832-H989 HydrophobicContact CG-CB 4.42Å
833F94.5Very high92.9Very high0 Ų044.7 Ų44.70%023%0.234CC..EExtended strand (participates in β ladder)trans-148.7161.8-173.760.1-90.9000113.7I831 V835 V846 R847 L848 L950 F988 A990 I1005I831-F833 HydrophobicContact CD1-CD1 4Å; I831-F833 HydrophobicContact CD1-CE1 4.24Å; I831-F833 HydrophobicContact CG1-CD1 4.13Å; I831-F833 HydrophobicContact CG1-CE1 4.37Å; F833-V835 HydrophobicContact CD2-CG2 4.2Å; F833-V835 HydrophobicContact CE2-CG2 3.93Å; F833-V846 HydrophobicContact CB-CB 4.18Å; F833-V846 HydrophobicContact CB-CG2 4.5Å; F833-V846 HydrophobicContact CD2-CB 3.67Å; F833-V846 HydrophobicContact CD2-CG1 3.49Å; F833-V846 VanDerWaalsContact CD2-CG1 3.49Å; F833-V846 HydrophobicContact CD2-CG2 4.4Å; F833-V846 HydrophobicContact CE2-CB 4.33Å; F833-V846 HydrophobicContact CE2-CG1 3.65Å; F833-V846 HydrophobicContact CG-CB 4.12Å; F833-V846 HydrophobicContact CG-CG1 4.33Å; F833-V846 HydrophobicContact CG-CG2 4.47Å; F833-R847 CarbonylContact C-O 3.32Å; F833-R847 WeakPolarHBondContact CA-O 3.38Å; F833-R847 WeakPolarHBondContact CB-O 3.22Å; F833-L848 HydrophobicContact CB-CD2 4.15Å; F833-L950 HydrophobicContact CD1-CD1 4.29Å; F833-L950 HydrophobicContact CE1-CD1 3.94Å; F833-L950 HydrophobicContact CZ-CD1 4.05Å; F833-L950 HydrophobicContact CZ-CD2 4.35Å; F833-F988 WeakPolarHBondContact CD1-O 3.36Å; F833-F988 HydrophobicContact CD2-CB 4.07Å; F833-F988 HydrophobicContact CE1-CB 4.43Å; F833-F988 HydrophobicContact CE2-CB 3.65Å; F833-F988 HydrophobicContact CZ-CB 3.86Å; F833-F988 PolarHBondContact N-O 3.41Å; F833-F988 PolarHBondContact O-N 3.07Å; F833-A990 HydrophobicContact CE1-CB 3.77Å; F833-A990 HydrophobicContact CZ-CB 4.34Å; F833-I1005 HydrophobicContact CE2-CG2 4.32Å; F833-I1005 HydrophobicContact CZ-CD1 4.19Å; F833-I1005 HydrophobicContact CZ-CG1 4.18Å; F833-I1005 HydrophobicContact CZ-CG2 3.73Å
834L92.3Very high93.2Very high18 Ų1837.9 Ų37.99%0.09420%0.198CC..EExtended strand (participates in β ladder)trans-107.2130.8170.6-175.759.1000108.5L836 V846 R847 P862 R986L834-L836 PolarHBondContact O-N 2.82Å; L834-V846 WeakPolarHBondContact O-CA 3.38Å; L834-R847 PolarHBondContact N-O 3.21Å; L834-R847 PolarHBondContact O-N 2.69Å; L834-P862 HydrophobicContact CD2-CB 3.59Å; L834-P862 HydrophobicContact CD2-CG 3.54Å; L834-P862 HydrophobicContact CG-CG 4.46Å; L834-R986 WeakPolarHBondContact CD1-O 3.47Å
835V92Very high93.4Very high28 Ų2835.6 Ų35.617%0.1719%0.187CC..EExtended strand (participates in β ladder)trans-78.1119.1175.3178.90000109F833 L844 V846 F977 F988F833-V835 HydrophobicContact CD2-CG2 4.2Å; F833-V835 HydrophobicContact CE2-CG2 3.93Å; V835-L844 HydrophobicContact CG1-CD1 4.49Å; V835-L844 HydrophobicContact CG1-CD2 4.49Å; V835-L844 HydrophobicContact CG2-CD1 4.08Å; V835-V846 HydrophobicContact CG2-CG1 4.41Å; V835-F977 HydrophobicContact CB-CD1 4.48Å; V835-F977 HydrophobicContact CG2-CD1 3.97Å; V835-F977 HydrophobicContact CG2-CE1 3.76Å; V835-F977 HydrophobicContact CG2-CZ 4.29Å; V835-F988 HydrophobicContact CG2-CD2 3.83Å; V835-F988 HydrophobicContact CG2-CE2 4.23Å; V835-F988 HydrophobicContact CG2-CG 4.3Å
836L90.4Very high93.4Very high23 Ų2335.3 Ų35.312%0.1219%0.186CC..EExtended strand (participates in β ladder)trans-87.4-52.3177-56.2176.2000110.2L834 A845 R847 F861 P862 D920 T921 A947L834-L836 PolarHBondContact O-N 2.82Å; L836-A845 HydrophobicContact CB-CB 4.3Å; L836-A845 PolarHBondContact N-O 3.08Å; L836-R847 HydrophobicContact CD1-CB 4.02Å; L836-R847 HydrophobicContact CD2-CB 4.19Å; L836-R847 HydrophobicContact CG-CB 4.18Å; L836-F861 HydrophobicContact CD2-CZ 4.12Å; L836-P862 HydrophobicContact CD2-CG 4.35Å; L836-D920 WeakPolarHBondContact CD1-O 3.49Å; L836-T921 WeakPolarHBondContact CB-O 3.35Å; L836-A947 HydrophobicContact CD1-CB 3.9Å
837V90.8Very high93.5Very high39 Ų3934.5 Ų34.524%0.23618%0.181CC..EExtended strand (participates in β ladder)trans-136.2142.2-179.4-167.80000109.9Y839 L844 A845V837-Y839 HydrophobicContact CB-CD1 4.26Å; V837-Y839 HydrophobicContact CB-CE1 3.77Å; V837-Y839 HydrophobicContact CG1-CD1 3.65Å; V837-Y839 HydrophobicContact CG1-CE1 3.51Å; V837-L844 CarbonylContact O-C 3.54Å; V837-L844 WeakPolarHBondContact O-CA 3.4Å; V837-A845 HydrophobicContact CB-CB 3.99Å; V837-A845 HydrophobicContact CG2-CB 4.28Å; V837-A845 PolarHBondContact N-O 3.4Å; V837-A845 PolarHBondContact O-N 3.04Å
838C92.6Very high93.7Very high10 Ų1029.7 Ų29.77%0.06816%0.16CC..EExtended strand (participates in β ladder)trans-111.897.9174.8167.60000108.5L844 R969 R973 F977C838-L844 HydrophobicContact CB-CD2 3.86Å; C838-R969 VanDerWaalsContact O-CD 3.23Å; C838-R969 WeakPolarHBondContact O-CD 3.31Å; C838-R969 WeakPolarHBondContact O-CG 3.24Å; C838-R973 HydrophobicContact CB-CB 4.44Å; C838-F977 HydrophobicContact CB-CD2 4.14Å; C838-F977 HydrophobicContact CB-CE2 4.03Å
839Y91.7Very high93.7Very high50 Ų5024.4 Ų24.420%0.19613%0.133CC..EExtended strand (participates in β ladder)trans-76.1-36.9-178.8-49.3-49.4000112.3V837 A843 A845 S922 T923 E924 R969V837-Y839 HydrophobicContact CB-CD1 4.26Å; V837-Y839 HydrophobicContact CB-CE1 3.77Å; V837-Y839 HydrophobicContact CG1-CD1 3.65Å; V837-Y839 HydrophobicContact CG1-CE1 3.51Å; Y839-A843 WeakPolarHBondContact CB-O 3.48Å; Y839-A843 PolarHBondContact N-O 2.88Å; Y839-A843 VanDerWaalsContact N-O 3.08Å; Y839-A845 HydrophobicContact CE2-CB 4.18Å; Y839-A845 WeakPolarHBondContact OH-CB 3.33Å; Y839-S922 PolarHBondContact OH-OG 2.9Å; Y839-T923 WeakPolarHBondContact OH-CA 3.46Å; Y839-T923 PolarHBondContact OH-N 3.31Å; Y839-T923 PolarHBondContact OH-OG1 3.36Å; Y839-E924 HydrophobicContact CD1-CG 4.2Å; Y839-E924 HydrophobicContact CE1-CG 3.5Å; Y839-E924 VanDerWaalsContact CE1-CG 3.5Å; Y839-E924 PolarHBondContact OH-N 3.06Å; Y839-R969 WeakPolarHBondContact O-CD 3.47Å; Y839-R969 WeakPolarHBondContact O-CG 3.46Å
840S93.1Very high93.6Very high16 Ų1627.5 Ų27.511%0.11214%0.142CC..EExtended strand (participates in β ladder)trans-156.9169.6176.576.90000110.4A842 A843S840-A842 PolarHBondContact O-N 2.89Å; S840-A842 PolarHBondContact OG-N 2.7Å; S840-A843 PolarHBondContact N-O 3.1Å; S840-A843 PolarHBondContact O-N 3.39Å; S840-A843 PolarHBondContact OG-N 2.81Å; S840-A843 VanDerWaalsContact OG-N 3.13Å
841P93.8Very high93.3Very high0 Ų026 Ų260%013%0.132CC..THydrogen-bonded Turntrans-52.4-16.6169.2-30.438.9000116.1W964 A968 V972 V1017P841-W964 HydrophobicContact CB-CD2 4.15Å; P841-W964 HydrophobicContact CB-CE3 4.02Å; P841-W964 HydrophobicContact CB-CH2 3.95Å; P841-W964 HydrophobicContact CB-CZ2 4.12Å; P841-W964 HydrophobicContact CB-CZ3 3.91Å; P841-W964 HydrophobicContact CG-CD2 3.86Å; P841-W964 HydrophobicContact CG-CE3 3.59Å; P841-W964 HydrophobicContact CG-CG 4.38Å; P841-W964 HydrophobicContact CG-CH2 4.42Å; P841-W964 HydrophobicContact CG-CZ3 3.9Å; P841-A968 HydrophobicContact CG-CB 3.94Å; P841-V972 HydrophobicContact CB-CG2 4.02Å; P841-V972 HydrophobicContact CG-CG2 3.95Å; P841-V1017 HydrophobicContact CB-CG1 3.98Å; P841-V1017 HydrophobicContact CB-CG2 3.8Å
842A94.6Very high93.1Very high8 Ų826.8 Ų26.87%0.06614%0.135CC..THydrogen-bonded Turntrans-121.40.1-177.400000114.9S840 R951 I952 L955 W964S840-A842 PolarHBondContact O-N 2.89Å; S840-A842 PolarHBondContact OG-N 2.7Å; A842-R951 CarbonylContact O-C 3.52Å; A842-R951 VanDerWaalsContact O-CA 3.25Å; A842-R951 WeakPolarHBondContact O-CA 3.5Å; A842-I952 PolarHBondContact O-N 2.8Å; A842-L955 HydrophobicContact CB-CB 4.05Å; A842-L955 HydrophobicContact CB-CD2 3.94Å; A842-L955 HydrophobicContact CB-CG 3.94Å; A842-L955 VanDerWaalsContact CB-O 3.25Å; A842-L955 WeakPolarHBondContact CB-O 3.47Å; A842-W964 HydrophobicContact CB-CZ2 4.12Å
843A95Very high92.9Very high15 Ų1524.2 Ų24.212%0.12413%0.134CC..EExtended strand (participates in β ladder)trans-148.7130.9-176.300000112.4Y839 S840 R951Y839-A843 WeakPolarHBondContact CB-O 3.48Å; Y839-A843 PolarHBondContact N-O 2.88Å; Y839-A843 VanDerWaalsContact N-O 3.08Å; S840-A843 PolarHBondContact N-O 3.1Å; S840-A843 PolarHBondContact O-N 3.39Å; S840-A843 PolarHBondContact OG-N 2.81Å; S840-A843 VanDerWaalsContact OG-N 3.13Å; A843-R951 HydrophobicContact CB-CG 4.01Å
844L95.6Very high92.7Very high2 Ų226.5 Ų26.51%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-137.3152-170.8-49.7175.7000111V835 V837 C838 V846 L950 F977 I1005V835-L844 HydrophobicContact CG1-CD1 4.49Å; V835-L844 HydrophobicContact CG1-CD2 4.49Å; V835-L844 HydrophobicContact CG2-CD1 4.08Å; V837-L844 CarbonylContact O-C 3.54Å; V837-L844 WeakPolarHBondContact O-CA 3.4Å; C838-L844 HydrophobicContact CB-CD2 3.86Å; L844-V846 HydrophobicContact CB-CG1 3.89Å; L844-V846 HydrophobicContact CD1-CG1 4.28Å; L844-L950 HydrophobicContact CD1-CD2 4.47Å; L844-L950 PolarHBondContact N-O 3.29Å; L844-L950 PolarHBondContact O-N 2.9Å; L844-F977 HydrophobicContact CD1-CE1 4.31Å; L844-F977 HydrophobicContact CD1-CE2 4.4Å; L844-F977 HydrophobicContact CD1-CZ 3.65Å; L844-F977 HydrophobicContact CD2-CE2 3.67Å; L844-F977 HydrophobicContact CD2-CZ 3.75Å; L844-F977 HydrophobicContact CG-CZ 4.39Å; L844-I1005 HydrophobicContact CD1-CD1 3.45Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.45Å
845A95.2Very high92.5Very high0 Ų027.9 Ų27.90%016%0.162CC..EExtended strand (participates in β ladder)trans-89.6127.5153.700000109.1L836 V837 Y839 M948L836-A845 HydrophobicContact CB-CB 4.3Å; L836-A845 PolarHBondContact N-O 3.08Å; V837-A845 HydrophobicContact CB-CB 3.99Å; V837-A845 HydrophobicContact CG2-CB 4.28Å; V837-A845 PolarHBondContact N-O 3.4Å; V837-A845 PolarHBondContact O-N 3.04Å; Y839-A845 HydrophobicContact CE2-CB 4.18Å; Y839-A845 WeakPolarHBondContact OH-CB 3.33Å; A845-M948 WeakPolarHBondContact CA-O 3.42Å
846V95.2Very high92.3Very high0 Ų029.6 Ų29.60%017%0.17CC..EExtended strand (participates in β ladder)trans-128.5158.3-179.5-55.90000111F833 L834 V835 L844 M948 L950F833-V846 HydrophobicContact CB-CB 4.18Å; F833-V846 HydrophobicContact CB-CG2 4.5Å; F833-V846 HydrophobicContact CD2-CB 3.67Å; F833-V846 HydrophobicContact CD2-CG1 3.49Å; F833-V846 VanDerWaalsContact CD2-CG1 3.49Å; F833-V846 HydrophobicContact CD2-CG2 4.4Å; F833-V846 HydrophobicContact CE2-CB 4.33Å; F833-V846 HydrophobicContact CE2-CG1 3.65Å; F833-V846 HydrophobicContact CG-CB 4.12Å; F833-V846 HydrophobicContact CG-CG1 4.33Å; F833-V846 HydrophobicContact CG-CG2 4.47Å; L834-V846 WeakPolarHBondContact O-CA 3.38Å; V835-V846 HydrophobicContact CG2-CG1 4.41Å; L844-V846 HydrophobicContact CB-CG1 3.89Å; L844-V846 HydrophobicContact CD1-CG1 4.28Å; V846-M948 HydrophobicContact CG2-CB 4.23Å; V846-M948 PolarHBondContact N-O 3.41Å; V846-M948 PolarHBondContact O-N 2.69Å; V846-L950 HydrophobicContact CB-CB 4.46Å; V846-L950 HydrophobicContact CG1-CB 3.96Å; V846-L950 HydrophobicContact CG1-CD1 4.44Å; V846-L950 HydrophobicContact CG2-CB 3.62Å; V846-L950 HydrophobicContact CG2-CD1 3.92Å; V846-L950 HydrophobicContact CG2-CG 4.4Å
847R94.5Very high92Very high4 Ų432.2 Ų32.22%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-125.7126.4169.4-179.3171.674.5167.55.6110.6F833 L834 L836 S849 F852 T854 M863 S864 E946F833-R847 CarbonylContact C-O 3.32Å; F833-R847 WeakPolarHBondContact CA-O 3.38Å; F833-R847 WeakPolarHBondContact CB-O 3.22Å; L834-R847 PolarHBondContact N-O 3.21Å; L834-R847 PolarHBondContact O-N 2.69Å; L836-R847 HydrophobicContact CD1-CB 4.02Å; L836-R847 HydrophobicContact CD2-CB 4.19Å; L836-R847 HydrophobicContact CG-CB 4.18Å; R847-S849 PolarHBondContact O-N 3.28Å; R847-F852 HydrophobicContact CG-CB 3.65Å; R847-F852 HydrophobicContact CG-CD2 4.31Å; R847-F852 HydrophobicContact CG-CG 4.39Å; R847-F852 PolarHBondContact NE-O 3.28Å; R847-T854 PolarHBondContact NH2-OG1 2.86Å; R847-M863 PolarHBondContact NH2-O 2.89Å; R847-S864 VanDerWaalsContact NH1-CB 3.3Å; R847-E946 WeakPolarHBondContact CD-OE2 3.26Å; R847-E946 HydrophobicContact CG-CB 4.2Å; R847-E946 IonicContact CZ-OE2 3.48Å; R847-E946 IonicContact NE-OE2 3.75Å; R847-E946 IonicContact NH1-OE2 3.97Å; R847-E946 PolarHBondContact NH1-OE2 3.1Å
848L94.8Very high91.6Very high6 Ų633.3 Ų33.33%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-68.2116.2-179.4-57.1-176000110.1P826 I831 R832 F833 D850 Q851 F852 M948P826-L848 HydrophobicContact CG-CD1 3.76Å; I831-L848 HydrophobicContact CB-CD2 4.21Å; I831-L848 HydrophobicContact CD1-CD2 4.05Å; R832-L848 WeakPolarHBondContact O-CA 3.5Å; F833-L848 HydrophobicContact CB-CD2 4.15Å; L848-D850 VanDerWaalsContact C-N 3.28Å; L848-D850 PolarHBondContact O-N 2.97Å; L848-Q851 HydrophobicContact CB-CB 4.28Å; L848-Q851 HydrophobicContact CB-CG 4.39Å; L848-Q851 PolarHBondContact O-N 3.35Å; L848-F852 PolarHBondContact O-N 2.98Å; L848-M948 HydrophobicContact CD1-CE 3.8Å; L848-M948 HydrophobicContact CD1-SD 3.57Å; L848-M948 VanDerWaalsContact CD1-SD 3.57Å; L848-M948 HydrophobicContact CD2-SD 4.38Å; L848-M948 HydrophobicContact CG-CE 4.22Å; L848-M948 HydrophobicContact CG-SD 3.71Å
849S91.5Very high91.1Very high16 Ų1638 Ų3811%0.11220%0.203CC..THydrogen-bonded Turntrans-73.8-21.8-172.1-63.80000113.3R832 R847R832-S849 PolarHBondContact O-N 2.79Å; R847-S849 PolarHBondContact O-N 3.28Å
850D90.2Very high90.5Very high96 Ų9641.6 Ų41.651%0.51323%0.226SC..THydrogen-bonded Turntrans-81.9-20.4176.9-60.6-52.1000113.3R832 L848R832-D850 WeakPolarHBondContact CB-OD2 3.45Å; R832-D850 IonicContact CZ-OD1 2.75Å; R832-D850 VanDerWaalsContact CZ-OD1 3.27Å; R832-D850 IonicContact CZ-OD2 3.83Å; R832-D850 IonicContact NE-OD1 3.24Å; R832-D850 PolarHBondContact NE-OD1 3.4Å; R832-D850 IonicContact NE-OD2 2.96Å; R832-D850 PolarHBondContact NE-OD2 3.06Å; R832-D850 IonicContact NH2-OD1 2.78Å; R832-D850 PolarHBondContact NH2-OD1 2.61Å; R832-D850 IonicContact NH2-OD2 2.77Å; L848-D850 VanDerWaalsContact C-N 3.28Å; L848-D850 PolarHBondContact O-N 2.97Å
851Q90.6Very high90Very high84 Ų8442.5 Ų42.539%0.39323%0.228SC..THydrogen-bonded Turntrans-101.5-41.6176.1-66-177.2-3.700112.1H824 L848 P853H824-Q851 PolarHBondContact O-NE2 3.3Å; H824-Q851 PolarHBondContact O-OE1 3.16Å; L848-Q851 HydrophobicContact CB-CB 4.28Å; L848-Q851 HydrophobicContact CB-CG 4.39Å; L848-Q851 PolarHBondContact O-N 3.35Å; Q851-P853 WeakPolarHBondContact O-CD 3.33Å
852F92.3Very high89.6Confident27 Ų2743.1 Ų43.112%0.11823%0.232CC..SBendtrans-126.877.1-172.8-51.4-68.7000109.5R847 L848 P944 E946 M948R847-F852 HydrophobicContact CG-CB 3.65Å; R847-F852 HydrophobicContact CG-CD2 4.31Å; R847-F852 HydrophobicContact CG-CG 4.39Å; R847-F852 PolarHBondContact NE-O 3.28Å; L848-F852 PolarHBondContact O-N 2.98Å; F852-P944 HydrophobicContact CE1-CG 4Å; F852-P944 HydrophobicContact CZ-CG 4Å; F852-E946 HydrophobicContact CB-CG 4.24Å; F852-E946 HydrophobicContact CD1-CG 3.77Å; F852-E946 HydrophobicContact CD2-CB 4.44Å; F852-E946 HydrophobicContact CD2-CG 4.41Å; F852-E946 HydrophobicContact CE1-CG 4.22Å; F852-E946 HydrophobicContact CG-CB 4.29Å; F852-E946 HydrophobicContact CG-CG 3.88Å; F852-M948 HydrophobicContact CE2-CE 4.07Å
853P91.1Very high89.3Confident67 Ų6743.4 Ų43.444%0.43523%0.232SC..  trans-63163-178.426.7-35000112.1Q851 A855Q851-P853 WeakPolarHBondContact O-CD 3.33Å; P853-A855 PolarHBondContact O-N 3.35Å
854T89.6Confident89.2Confident47 Ų4742.8 Ų42.829%0.28823%0.227SC..  trans-90105.2176.2-55.70000109.9R847 P862 M863R847-T854 PolarHBondContact NH2-OG1 2.86Å; T854-P862 HydrophobicContact CG2-CB 3.64Å; T854-M863 CarbonylContact C-O 3.54Å; T854-M863 VanDerWaalsContact CA-O 3.3Å; T854-M863 WeakPolarHBondContact CA-O 3.45Å
855A88.6Confident89.1Confident47 Ų4747.1 Ų47.139%0.38825%0.25SS..  trans-76.7-48.3178.500000111.8P853 M863 D865P853-A855 PolarHBondContact O-N 3.35Å; A855-M863 PolarHBondContact N-O 2.73Å; A855-D865 WeakPolarHBondContact CB-OD1 3.13Å
856I88Confident89Confident65 Ų6547.6 Ų47.633%0.33325%0.253SS..EExtended strand (participates in β ladder)trans-142163.1-175.3-164.9164.8000111.5M863 E868I856-M863 HydrophobicContact CG2-CB 4.04Å; I856-M863 HydrophobicContact CG2-CE 3.66Å; I856-M863 PolarHBondContact O-N 2.97Å; I856-E868 VanDerWaalsContact CD1-OE1 3.27Å; I856-E868 WeakPolarHBondContact CD1-OE1 3.41Å; I856-E868 HydrophobicContact CG2-CB 3.96Å; I856-E868 HydrophobicContact CG2-CG 4.22Å
857R83.9Confident88.8Confident77 Ų7748.3 Ų48.329%0.29126%0.26SS..EExtended strand (participates in β ladder)trans-116.9112.8168.5-72.7-177.4172.5-79-10.4111N860 F861 R984 N985R857-N860 PolarHBondContact NH1-O 2.75Å; R857-F861 CarbonylContact C-O 3.5Å; R857-F861 VanDerWaalsContact CA-O 3.25Å; R857-F861 WeakPolarHBondContact CA-O 3.41Å; R857-R984 VanDerWaalsContact CZ-O 3.27Å; R857-R984 PolarHBondContact NH2-O 2.8Å; R857-N985 PolarHBondContact NE-OD1 2.91Å; R857-N985 VanDerWaalsContact NE-OD1 3.08Å; R857-N985 PolarHBondContact NH2-OD1 2.77Å
858F82.8Confident88.8Confident62 Ų6249.6 Ų49.627%0.27227%0.266SS..EExtended strand (participates in β ladder)trans-106.9124.9177.8179.3-95.7000109.5N860 F861 M863 Q871 R899F858-N860 PolarHBondContact O-N 2.8Å; F858-F861 PolarHBondContact N-O 2.69Å; F858-F861 WeakPolarHBondContact O-CA 3.44Å; F858-F861 WeakPolarHBondContact O-CB 3.44Å; F858-F861 PolarHBondContact O-N 3.19Å; F858-M863 HydrophobicContact CB-CE 3.59Å; F858-M863 HydrophobicContact CB-CG 4.45Å; F858-M863 HydrophobicContact CB-SD 3.86Å; F858-M863 HydrophobicContact CG-CE 4.26Å; F858-M863 HydrophobicContact CG-SD 4.47Å; F858-Q871 HydrophobicContact CE2-CG 4.44Å; F858-Q871 HydrophobicContact CZ-CG 4.38Å; F858-R899 HydrophobicContact CD1-CG 3.89Å; F858-R899 HydrophobicContact CE1-CG 3.99Å
859L81.5Confident88.8Confident109 Ų10954.9 Ų54.957%0.57129%0.286SS*.THydrogen-bonded Turntrans49.142.2-171.7-55.8177.5000112.5F861 N898L859-F861 PolarHBondContact O-N 3.47Å; L859-F861 VanDerWaalsContact O-N 3.1Å; L859-N898 HydrophobicContact CD1-CB 3.98Å
860N78.9Confident88.9Confident125 Ų12554.2 Ų54.267%0.66828%0.281SS*.THydrogen-bonded Turntrans64.6-11.5-170.1-62.1-72.7000116.9R857 F858R857-N860 PolarHBondContact NH1-O 2.75Å; F858-N860 PolarHBondContact O-N 2.8Å
861F81.9Confident89.1Confident35 Ų3550 Ų5015%0.15426%0.258CS..EExtended strand (participates in β ladder)trans-73.7133.4178.4-167-87.6000111.7L836 R857 F858 L859 M863 T921L836-F861 HydrophobicContact CD2-CZ 4.12Å; R857-F861 CarbonylContact C-O 3.5Å; R857-F861 VanDerWaalsContact CA-O 3.25Å; R857-F861 WeakPolarHBondContact CA-O 3.41Å; F858-F861 PolarHBondContact N-O 2.69Å; F858-F861 WeakPolarHBondContact O-CA 3.44Å; F858-F861 WeakPolarHBondContact O-CB 3.44Å; F858-F861 PolarHBondContact O-N 3.19Å; L859-F861 PolarHBondContact O-N 3.47Å; L859-F861 VanDerWaalsContact O-N 3.1Å; F861-M863 HydrophobicContact CD1-CG 4.3Å; F861-T921 HydrophobicContact CD1-CG2 4.42Å; F861-T921 HydrophobicContact CE1-CG2 3.52Å; F861-T921 HydrophobicContact CZ-CG2 3.8Å
862P85.8Confident89.3Confident14 Ų1453.9 Ų53.99%0.09127%0.269CS..EExtended strand (participates in β ladder)trans-76.3122.8179.530.9-32.9000111.8L834 L836 T854L834-P862 HydrophobicContact CD2-CB 3.59Å; L834-P862 HydrophobicContact CD2-CG 3.54Å; L834-P862 HydrophobicContact CG-CG 4.46Å; L836-P862 HydrophobicContact CD2-CG 4.35Å; T854-P862 HydrophobicContact CG2-CB 3.64Å
863M88.6Confident89.4Confident13 Ų1354.7 Ų54.76%0.06427%0.273CS..EExtended strand (participates in β ladder)trans-113.4163.2175.3-55.3-163.5-48.400111R847 T854 A855 I856 F858 F861 E868 Q871R847-M863 PolarHBondContact NH2-O 2.89Å; T854-M863 CarbonylContact C-O 3.54Å; T854-M863 VanDerWaalsContact CA-O 3.3Å; T854-M863 WeakPolarHBondContact CA-O 3.45Å; A855-M863 PolarHBondContact N-O 2.73Å; I856-M863 HydrophobicContact CG2-CB 4.04Å; I856-M863 HydrophobicContact CG2-CE 3.66Å; I856-M863 PolarHBondContact O-N 2.97Å; F858-M863 HydrophobicContact CB-CE 3.59Å; F858-M863 HydrophobicContact CB-CG 4.45Å; F858-M863 HydrophobicContact CB-SD 3.86Å; F858-M863 HydrophobicContact CG-CE 4.26Å; F858-M863 HydrophobicContact CG-SD 4.47Å; F861-M863 HydrophobicContact CD1-CG 4.3Å; M863-E868 HydrophobicContact CE-CB 4.18Å; M863-Q871 HydrophobicContact CE-CB 4.24Å
864S92.4Very high89.6Confident3 Ų351.5 Ų51.52%0.02125%0.252CS..  trans-98.6-179.6169.955.40000110.2R847 L866 G867 E868 E946R847-S864 VanDerWaalsContact NH1-CB 3.3Å; S864-L866 PolarHBondContact O-N 2.94Å; S864-L866 PolarHBondContact OG-N 3.01Å; S864-G867 PolarHBondContact O-N 2.98Å; S864-G867 PolarHBondContact OG-N 3.19Å; S864-E868 VanDerWaalsContact O-CB 3.31Å; S864-E868 WeakPolarHBondContact O-CB 3.48Å; S864-E868 PolarHBondContact O-N 2.52Å; S864-E946 WeakPolarHBondContact CB-OE1 3.46Å; S864-E946 VanDerWaalsContact CB-OE2 3.3Å; S864-E946 WeakPolarHBondContact CB-OE2 3.48Å; S864-E946 PolarHBondContact OG-OE1 2.84Å; S864-E946 PolarHBondContact OG-OE2 2.87Å
865D92.8Very high89.8Confident93 Ų9352.8 Ų52.850%0.49726%0.255SS..Hα-helixtrans-60.2-24.2166.5-47.8-78.6000112.8A855 R869A855-D865 WeakPolarHBondContact CB-OD1 3.13Å; D865-R869 WeakPolarHBondContact O-CB 3.4Å; D865-R869 WeakPolarHBondContact O-CG 3.06Å; D865-R869 PolarHBondContact O-N 2.76Å; D865-R869 PolarHBondContact O-NE 3.17Å
866L93.3Very high90.1Very high10 Ų1055.7 Ų55.75%0.05226%0.264CS..Hα-helixtrans-78.6-52.1173.2178.261.8000111S864 E868 R869 V870 F940 S943 E946S864-L866 PolarHBondContact O-N 2.94Å; S864-L866 PolarHBondContact OG-N 3.01Å; L866-E868 PolarHBondContact O-N 2.86Å; L866-R869 PolarHBondContact O-N 3.11Å; L866-R869 VanDerWaalsContact O-N 3.1Å; L866-V870 HydrophobicContact CD1-CG2 4.21Å; L866-V870 WeakPolarHBondContact O-CG2 3.2Å; L866-V870 PolarHBondContact O-N 2.89Å; L866-F940 HydrophobicContact CD1-CD1 3.91Å; L866-S943 VanDerWaalsContact CD2-CB 3.49Å; L866-E946 WeakPolarHBondContact CB-OE1 3.36Å
867G92.4Very high90.3Very high14 Ų1459.6 Ų59.614%0.14428%0.28CS..Hα-helixtrans-58.6-37.5177.300000112.5S864 Q871S864-G867 PolarHBondContact O-N 2.98Å; S864-G867 PolarHBondContact OG-N 3.19Å; G867-Q871 WeakPolarHBondContact O-CB 3.3Å; G867-Q871 PolarHBondContact O-N 3.03Å
868E93.3Very high90.8Very high31 Ų3160 Ų6015%0.14530%0.3CS..Hα-helixtrans-66.3-44.9172.5178.2161.1-137.600113I856 M863 S864 L866 V870 Q871 R872I856-E868 VanDerWaalsContact CD1-OE1 3.27Å; I856-E868 WeakPolarHBondContact CD1-OE1 3.41Å; I856-E868 HydrophobicContact CG2-CB 3.96Å; I856-E868 HydrophobicContact CG2-CG 4.22Å; M863-E868 HydrophobicContact CE-CB 4.18Å; S864-E868 VanDerWaalsContact O-CB 3.31Å; S864-E868 WeakPolarHBondContact O-CB 3.48Å; S864-E868 PolarHBondContact O-N 2.52Å; L866-E868 PolarHBondContact O-N 2.86Å; E868-V870 VanDerWaalsContact C-N 3.34Å; E868-V870 PolarHBondContact O-N 2.79Å; E868-Q871 PolarHBondContact O-N 2.84Å; E868-R872 HydrophobicContact CG-CG 4.17Å; E868-R872 VanDerWaalsContact CG-NE 3.32Å; E868-R872 WeakPolarHBondContact O-CB 3.24Å; E868-R872 VanDerWaalsContact O-CG 3.27Å; E868-R872 WeakPolarHBondContact O-CG 3.5Å; E868-R872 PolarHBondContact O-N 3.4Å; E868-R872 IonicContact OE1-CZ 3.49Å; E868-R872 IonicContact OE1-NE 3.59Å; E868-R872 PolarHBondContact OE1-NE 3.4Å; E868-R872 IonicContact OE1-NH2 3.8Å; E868-R872 PolarHBondContact OE1-NH2 3.03Å; E868-R872 IonicContact OE2-NH2 2.78Å
869R94.5Very high91.3Very high118 Ų11858.9 Ų58.945%0.44530%0.297SS..Hα-helixtrans-63.2-39.8176.2-76.1180-58.6139.82.9112.1D865 L866 H873 F940D865-R869 WeakPolarHBondContact O-CB 3.4Å; D865-R869 WeakPolarHBondContact O-CG 3.06Å; D865-R869 PolarHBondContact O-N 2.76Å; D865-R869 PolarHBondContact O-NE 3.17Å; L866-R869 PolarHBondContact O-N 3.11Å; L866-R869 VanDerWaalsContact O-N 3.1Å; R869-H873 WeakPolarHBondContact O-CB 3.25Å; R869-H873 PolarHBondContact O-N 3.27Å; R869-F940 HydrophobicContact CB-CE1 3.85Å; R869-F940 HydrophobicContact CB-CZ 4.24Å
870V94.6Very high91.9Very high2 Ų256.5 Ų56.51%0.01228%0.281CS..Hα-helixtrans-62.9-50.6175.2173.60000110.4L866 E868 R872 H873 Y874 R902 F940L866-V870 HydrophobicContact CD1-CG2 4.21Å; L866-V870 WeakPolarHBondContact O-CG2 3.2Å; L866-V870 PolarHBondContact O-N 2.89Å; E868-V870 VanDerWaalsContact C-N 3.34Å; E868-V870 PolarHBondContact O-N 2.79Å; V870-R872 PolarHBondContact O-N 2.97Å; V870-H873 PolarHBondContact O-N 3.43Å; V870-Y874 HydrophobicContact CG1-CD2 4.02Å; V870-Y874 HydrophobicContact CG1-CE2 4.35Å; V870-Y874 WeakPolarHBondContact O-CD2 3.33Å; V870-Y874 PolarHBondContact O-N 2.71Å; V870-R902 HydrophobicContact CG1-CG 4.41Å; V870-R902 HydrophobicContact CG2-CG 4.1Å; V870-F940 HydrophobicContact CG2-CB 4.37Å; V870-F940 HydrophobicContact CG2-CD1 3.86Å; V870-F940 HydrophobicContact CG2-CD2 3.91Å; V870-F940 HydrophobicContact CG2-CE1 4.07Å; V870-F940 HydrophobicContact CG2-CE2 4.11Å; V870-F940 HydrophobicContact CG2-CG 3.79Å; V870-F940 HydrophobicContact CG2-CZ 4.19Å
871Q94.5Very high92.5Very high8 Ų856.2 Ų56.24%0.03728%0.275CS..Hα-helixtrans-56.5-53.9176.7-172.874.232.300111.4F858 M863 G867 E868 H873 Y874 E875 N898F858-Q871 HydrophobicContact CE2-CG 4.44Å; F858-Q871 HydrophobicContact CZ-CG 4.38Å; M863-Q871 HydrophobicContact CE-CB 4.24Å; G867-Q871 WeakPolarHBondContact O-CB 3.3Å; G867-Q871 PolarHBondContact O-N 3.03Å; E868-Q871 PolarHBondContact O-N 2.84Å; Q871-H873 PolarHBondContact O-N 3.03Å; Q871-Y874 PolarHBondContact O-N 2.89Å; Q871-E875 PolarHBondContact NE2-OE2 2.96Å; Q871-E875 WeakPolarHBondContact O-CB 3.44Å; Q871-E875 PolarHBondContact O-N 3.47Å; Q871-N898 PolarHBondContact NE2-O 3.35Å
872R93.7Very high93Very high165 Ų16559.9 Ų59.962%0.62329%0.294SS*.Hα-helixtrans-60.4-32.8-178.6-71.1177.5-178.4-158.88.3112.6E868 V870E868-R872 HydrophobicContact CG-CG 4.17Å; E868-R872 VanDerWaalsContact CG-NE 3.32Å; E868-R872 WeakPolarHBondContact O-CB 3.24Å; E868-R872 VanDerWaalsContact O-CG 3.27Å; E868-R872 WeakPolarHBondContact O-CG 3.5Å; E868-R872 PolarHBondContact O-N 3.4Å; E868-R872 IonicContact OE1-CZ 3.49Å; E868-R872 IonicContact OE1-NE 3.59Å; E868-R872 PolarHBondContact OE1-NE 3.4Å; E868-R872 IonicContact OE1-NH2 3.8Å; E868-R872 PolarHBondContact OE1-NH2 3.03Å; E868-R872 IonicContact OE2-NH2 2.78Å; V870-R872 PolarHBondContact O-N 2.97Å
873H95.3Very high93.3Very high43 Ų4359.6 Ų59.620%0.19929%0.291CS..Hα-helixtrans-73.1-51.4178.8-17687.9000112.2R869 V870 Q871 L876 N879 F940R869-H873 WeakPolarHBondContact O-CB 3.25Å; R869-H873 PolarHBondContact O-N 3.27Å; V870-H873 PolarHBondContact O-N 3.43Å; Q871-H873 PolarHBondContact O-N 3.03Å; H873-L876 PolarHBondContact O-N 2.97Å; H873-N879 WeakPolarHBondContact O-CB 3.47Å; H873-N879 PolarHBondContact O-ND2 2.76Å; H873-F940 HydrophobicContact CB-CE2 3.78Å; H873-F940 HydrophobicContact CB-CZ 3.81Å; H873-F940 AromaticContact CD2-CE2 3.86Å; H873-F940 AromaticContact CG-CE2 3.77Å
874Y95.5Very high93.1Very high0 Ų064.5 Ų64.50%032%0.324CS..Hα-helixtrans-83.2-11.1-175-71.4-82.6000114.5V870 Q871 L876 R880 V893 Y900 S935 C936 V937 F940V870-Y874 HydrophobicContact CG1-CD2 4.02Å; V870-Y874 HydrophobicContact CG1-CE2 4.35Å; V870-Y874 WeakPolarHBondContact O-CD2 3.33Å; V870-Y874 PolarHBondContact O-N 2.71Å; Q871-Y874 PolarHBondContact O-N 2.89Å; Y874-L876 PolarHBondContact O-N 2.92Å; Y874-R880 VanDerWaalsContact O-CG 3.31Å; Y874-R880 WeakPolarHBondContact O-CG 3.24Å; Y874-R880 PolarHBondContact O-NE 3.24Å; Y874-V893 HydrophobicContact CD1-CG1 4.42Å; Y874-V893 HydrophobicContact CD2-CG1 3.98Å; Y874-V893 HydrophobicContact CD2-CG2 4.43Å; Y874-V893 HydrophobicContact CE1-CB 4.43Å; Y874-V893 HydrophobicContact CE2-CB 4.25Å; Y874-V893 HydrophobicContact CE2-CG1 4.1Å; Y874-V893 HydrophobicContact CE2-CG2 3.75Å; Y874-V893 HydrophobicContact CG-CG1 4.16Å; Y874-Y900 VanDerWaalsContact CB-CD1 3.48Å; Y874-Y900 VanDerWaalsContact CB-CG 3.44Å; Y874-Y900 HydrophobicContact CG-CD1 4.31Å; Y874-Y900 HydrophobicContact CG-CG 4.45Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.43Å; Y874-S935 PolarHBondContact OH-O 3.06Å; Y874-C936 WeakPolarHBondContact OH-CA 3.31Å; Y874-V937 PolarHBondContact OH-N 3.36Å; Y874-V937 VanDerWaalsContact OH-N 3.17Å; Y874-F940 HydrophobicContact CD2-CE2 4.45Å; Y874-F940 AromaticContact CE2-CD2 3.91Å; Y874-F940 HydrophobicContact CE2-CD2 3.91Å; Y874-F940 AromaticContact CE2-CE2 3.86Å; Y874-F940 HydrophobicContact CE2-CE2 3.86Å
875E94.1Very high92.9Very high74 Ų7469.8 Ų69.835%0.34635%0.352SS..THydrogen-bonded Turntrans-64.2-27.2167.3-150.570.6-10800111.8Q871 E877 R880 K895Q871-E875 PolarHBondContact NE2-OE2 2.96Å; Q871-E875 WeakPolarHBondContact O-CB 3.44Å; Q871-E875 PolarHBondContact O-N 3.47Å; E875-E877 PolarHBondContact O-N 3.12Å; E875-R880 PolarHBondContact O-NH2 2.94Å; E875-R880 IonicContact OE1-NH2 2.71Å; E875-K895 IonicContact OE1-NZ 3.02Å; E875-K895 PolarHBondContact OE1-NZ 2.82Å
876L95Very high92.7Very high109 Ų10966 Ų6657%0.57133%0.332SS*.SBendtrans-75119.5171.7-61175.3000110.6H873 Y874 A878 N879H873-L876 PolarHBondContact O-N 2.97Å; Y874-L876 PolarHBondContact O-N 2.92Å; L876-A878 VanDerWaalsContact C-N 3.26Å; L876-A878 PolarHBondContact O-N 3.18Å; L876-N879 PolarHBondContact O-N 2.76Å
877E92.1Very high92.5Very high146 Ų14668.7 Ų68.768%0.68235%0.349SS*.G310 helixtrans-61.2-35.3-172.7-44.4-143118.600112.9E875 N879 R880E875-E877 PolarHBondContact O-N 3.12Å; E877-N879 PolarHBondContact O-N 2.86Å; E877-N879 VanDerWaalsContact O-N 3.08Å; E877-R880 WeakPolarHBondContact O-CB 3.13Å; E877-R880 PolarHBondContact O-N 3.3Å; E877-R880 IonicContact OE1-CZ 3.04Å; E877-R880 IonicContact OE1-NH1 3.51Å; E877-R880 PolarHBondContact OE1-NH1 3.05Å; E877-R880 IonicContact OE1-NH2 2.69Å; E877-R880 PolarHBondContact OE1-NH2 2.71Å
878A93.8Very high92.3Very high86 Ų8671.1 Ų71.171%0.71136%0.363SS*.G310 helixtrans-61.4-14.7176.700000114.4L876 H881L876-A878 VanDerWaalsContact C-N 3.26Å; L876-A878 PolarHBondContact O-N 3.18Å; A878-H881 PolarHBondContact O-CE1 2.98Å
879N93.1Very high91.9Very high39 Ų3972 Ų7221%0.20938%0.38CS..G310 helixtrans-95.9-11.9175.9-65.8-27.1000113.1H873 L876 E877 H881H873-N879 WeakPolarHBondContact O-CB 3.47Å; H873-N879 PolarHBondContact O-ND2 2.76Å; L876-N879 PolarHBondContact O-N 2.76Å; E877-N879 PolarHBondContact O-N 2.86Å; E877-N879 VanDerWaalsContact O-N 3.08Å; N879-H881 PolarHBondContact O-N 3.01Å; N879-H881 PolarHBondContact O-ND1 3.07Å
880R93.4Very high91.8Very high59 Ų5969.4 Ų69.422%0.22337%0.373CS..  trans-79.952.2-172.4-58.7-178.1-165.31555.9113.2Y874 E875 E877 M882 Y900 Y934Y874-R880 VanDerWaalsContact O-CG 3.31Å; Y874-R880 WeakPolarHBondContact O-CG 3.24Å; Y874-R880 PolarHBondContact O-NE 3.24Å; E875-R880 PolarHBondContact O-NH2 2.94Å; E875-R880 IonicContact OE1-NH2 2.71Å; E877-R880 WeakPolarHBondContact O-CB 3.13Å; E877-R880 PolarHBondContact O-N 3.3Å; E877-R880 IonicContact OE1-CZ 3.04Å; E877-R880 IonicContact OE1-NH1 3.51Å; E877-R880 PolarHBondContact OE1-NH1 3.05Å; E877-R880 IonicContact OE1-NH2 2.69Å; E877-R880 PolarHBondContact OE1-NH2 2.71Å; R880-M882 PolarHBondContact O-N 3.28Å; R880-Y900 VanDerWaalsContact CZ-OH 3.3Å; R880-Y900 PolarHBondContact NE-OH 3.02Å; R880-Y934 HydrophobicContact CB-CD1 4Å; R880-Y934 HydrophobicContact CB-CE1 3.76Å; R880-Y934 WeakPolarHBondContact O-CD1 3.27Å
881H93.3Very high91.8Very high118 Ų11871.2 Ų71.255%0.54638%0.382SS..PPolyproline II helixtrans-65.6117.7176.7-59.688.4000110.3A878 N879 Y934 S935A878-H881 PolarHBondContact O-CE1 2.98Å; N879-H881 PolarHBondContact O-N 3.01Å; N879-H881 PolarHBondContact O-ND1 3.07Å; H881-Y934 CarbonylContact O-C 3.55Å; H881-Y934 VanDerWaalsContact O-CA 3.22Å; H881-Y934 WeakPolarHBondContact O-CA 3.46Å; H881-Y934 WeakPolarHBondContact O-CB 3.41Å; H881-S935 PolarHBondContact O-N 3.37Å
882M92.4Very high91.8Very high113 Ų11370.9 Ų70.956%0.55738%0.38SS*.BIsolated β-bridgetrans-59.3143.3174.3-81.6174.746.300111.3R880 P884R880-M882 PolarHBondContact O-N 3.28Å; M882-P884 WeakPolarHBondContact O-CD 3.44Å
883H90.7Very high91.9Very high8 Ų863 Ų634%0.03735%0.35CS..PPolyproline II helixtrans-69.2118.8178.3-158.8-66.4000110.4N885 P886 E890 L933H883-N885 PolarHBondContact CE1-O 2.82Å; H883-P886 HydrophobicContact CB-CG 4.44Å; H883-P886 WeakPolarHBondContact ND1-CA 3.32Å; H883-E890 IonicContact CE1-OE1 3.62Å; H883-E890 IonicContact CE1-OE2 2.78Å; H883-E890 PolarHBondContact CE1-OE2 3.2Å; H883-E890 VanDerWaalsContact NE2-CD 3.29Å; H883-E890 IonicContact NE2-OE1 2.71Å; H883-E890 PolarHBondContact NE2-OE1 3.47Å; H883-E890 IonicContact NE2-OE2 3.75Å; H883-E890 PolarHBondContact NE2-OE2 2.88Å; H883-L933 HydrophobicContact CB-CB 4.21Å; H883-L933 HydrophobicContact CB-CD2 4.13Å; H883-L933 HydrophobicContact CB-CG 4.04Å; H883-L933 PolarHBondContact N-O 3.26Å
884P84.6Confident91.9Very high116 Ų11661 Ų6175%0.75334%0.341SS*.SBendtrans-74.2-35.2-166.927.4-34.9000113.5M882M882-P884 WeakPolarHBondContact O-CD 3.44Å
885N88.1Confident91.8Very high114 Ų11464.4 Ų64.461%0.6136%0.356SS*.SBendtrans-152.994.9175.8-178.135.9000109.2H883H883-N885 PolarHBondContact CE1-O 2.82Å
886P89.2Confident91.6Very high12 Ų1262 Ų628%0.07835%0.345CS..  trans-64134.5-178.8-19.632000111.7H883 I905 V908 V914 T930 L933H883-P886 HydrophobicContact CB-CG 4.44Å; H883-P886 WeakPolarHBondContact ND1-CA 3.32Å; P886-I905 HydrophobicContact CB-CD1 3.82Å; P886-V908 HydrophobicContact CB-CG2 4.21Å; P886-V908 WeakPolarHBondContact O-CG2 3.35Å; P886-V914 HydrophobicContact CB-CG1 4.38Å; P886-V914 HydrophobicContact CB-CG2 4.28Å; P886-V914 HydrophobicContact CG-CG2 4.19Å; P886-T930 HydrophobicContact CG-CG2 3.7Å; P886-L933 HydrophobicContact CB-CD2 3.91Å; P886-L933 HydrophobicContact CG-CD2 3.87Å
887V89.6Confident91.1Very high68 Ų6863 Ų6341%0.41235%0.35SS..  trans-126.2136.5177.6-175.80000110.5G889 E890 I905V887-G889 PolarHBondContact O-N 3.16Å; V887-E890 WeakPolarHBondContact O-CB 3.12Å; V887-E890 PolarHBondContact O-N 3.39Å; V887-E890 VanDerWaalsContact O-N 3.08Å; V887-I905 WeakPolarHBondContact O-CB 3.42Å
888P87.6Confident90.8Very high65 Ų6561.2 Ų61.242%0.42235%0.345SS..THydrogen-bonded Turntrans-54.6129.1173.3-26.436.5000112.4V908P888-V908 HydrophobicContact CG-CG2 4.37Å
889G85.6Confident90.7Very high49 Ų4958.6 Ų58.651%0.50532%0.317SS..THydrogen-bonded Turntrans101.5-22.8-173.400000114.6V887 I905V887-G889 PolarHBondContact O-N 3.16Å; G889-I905 PolarHBondContact N-O 3.12Å
890E90.9Very high90.7Very high64 Ų6457.1 Ų57.130%0.29931%0.308SS..  trans-78.1149.7-179.7179.7168.4-157.200112.7H883 V887 I905H883-E890 IonicContact CE1-OE1 3.62Å; H883-E890 IonicContact CE1-OE2 2.78Å; H883-E890 PolarHBondContact CE1-OE2 3.2Å; H883-E890 VanDerWaalsContact NE2-CD 3.29Å; H883-E890 IonicContact NE2-OE1 2.71Å; H883-E890 PolarHBondContact NE2-OE1 3.47Å; H883-E890 IonicContact NE2-OE2 3.75Å; H883-E890 PolarHBondContact NE2-OE2 2.88Å; V887-E890 WeakPolarHBondContact O-CB 3.12Å; V887-E890 PolarHBondContact O-N 3.39Å; V887-E890 VanDerWaalsContact O-N 3.08Å; E890-I905 HydrophobicContact CB-CD1 4.11Å; E890-I905 PolarHBondContact O-N 2.74Å
891M94.3Very high90.7Very high40 Ų4054.5 Ų54.520%0.19730%0.299CS..EExtended strand (participates in β ladder)trans-95.1129.6175.5-165.8-169.6-56.800111.2R902 V903 L919 C936 K941M891-R902 HydrophobicContact SD-CB 4.39Å; M891-V903 CarbonylContact C-O 3.6Å; M891-V903 VanDerWaalsContact CA-O 3.3Å; M891-V903 WeakPolarHBondContact CA-O 3.41Å; M891-V903 VanDerWaalsContact CG-O 3.31Å; M891-V903 WeakPolarHBondContact CG-O 3.45Å; M891-L919 HydrophobicContact CE-CD1 4.05Å; M891-L919 HydrophobicContact CG-CD1 3.86Å; M891-L919 HydrophobicContact SD-CD1 4Å; M891-C936 HydrophobicContact CG-CB 4.43Å; M891-C936 WeakPolarHBondContact O-CB 3.33Å; M891-K941 HydrophobicContact CB-CG 4.45Å; M891-K941 HydrophobicContact SD-CG 4.4Å
892A95.4Very high90.8Very high0 Ų048.9 Ų48.90%027%0.273CS..EExtended strand (participates in β ladder)trans-133.5-176.4-178.100000110.7R902 V903 I905 L933 Y934A892-R902 WeakPolarHBondContact O-CA 3.42Å; A892-V903 HydrophobicContact CB-CG2 4Å; A892-V903 PolarHBondContact N-O 3.13Å; A892-V903 PolarHBondContact O-N 3.16Å; A892-I905 HydrophobicContact CB-CD1 4.29Å; A892-I905 HydrophobicContact CB-CG1 4.48Å; A892-L933 HydrophobicContact CB-CD1 3.54Å; A892-L933 HydrophobicContact CB-CD2 4.05Å; A892-L933 HydrophobicContact CB-CG 3.72Å; A892-Y934 WeakPolarHBondContact CB-O 3.48Å
893V96.4Very high91Very high0 Ų043.5 Ų43.50%025%0.246CC..EExtended strand (participates in β ladder)trans-131.2141.2176.5175.10000110.5Y874 Y900 E901 R902 Y934 C936Y874-V893 HydrophobicContact CD1-CG1 4.42Å; Y874-V893 HydrophobicContact CD2-CG1 3.98Å; Y874-V893 HydrophobicContact CD2-CG2 4.43Å; Y874-V893 HydrophobicContact CE1-CB 4.43Å; Y874-V893 HydrophobicContact CE2-CB 4.25Å; Y874-V893 HydrophobicContact CE2-CG1 4.1Å; Y874-V893 HydrophobicContact CE2-CG2 3.75Å; Y874-V893 HydrophobicContact CG-CG1 4.16Å; V893-Y900 HydrophobicContact CG1-CD1 4.29Å; V893-E901 WeakPolarHBondContact CA-O 3.46Å; V893-R902 HydrophobicContact CG2-CG 4.38Å; V893-Y934 PolarHBondContact N-O 3.28Å; V893-Y934 PolarHBondContact O-N 3.45Å; V893-C936 HydrophobicContact CG2-CB 4.25Å
894V95.3Very high91.1Very high0 Ų045.1 Ų45.10%025%0.254CS..EExtended strand (participates in β ladder)trans-124.6159173.7-60.60000111.3N896 Y900 E901 V903 V916 L918 Y928 L933V894-N896 HydrophobicContact CG2-CB 4.28Å; V894-Y900 WeakPolarHBondContact O-CA 3.28Å; V894-E901 PolarHBondContact N-O 3.07Å; V894-E901 PolarHBondContact O-N 2.99Å; V894-V903 HydrophobicContact CB-CG1 4.48Å; V894-V903 HydrophobicContact CG1-CG1 4.21Å; V894-V903 HydrophobicContact CG1-CG2 4.14Å; V894-V903 HydrophobicContact CG2-CG1 3.64Å; V894-V916 HydrophobicContact CG1-CG2 4.39Å; V894-L918 HydrophobicContact CG2-CD2 4.47Å; V894-Y928 HydrophobicContact CB-CE1 4.33Å; V894-Y928 HydrophobicContact CB-CE2 4.28Å; V894-Y928 HydrophobicContact CG1-CD2 4.03Å; V894-Y928 HydrophobicContact CG1-CE2 4.17Å; V894-Y928 HydrophobicContact CG1-CG 4.22Å; V894-Y928 HydrophobicContact CG2-CE1 4.47Å; V894-Y928 HydrophobicContact CG2-CE2 3.92Å; V894-L933 HydrophobicContact CG1-CD1 3.46Å; V894-L933 VanDerWaalsContact CG1-CD1 3.46Å
895K93.7Very high91.5Very high73 Ų7339.6 Ų39.632%0.31722%0.218SC..EExtended strand (participates in β ladder)trans-91.9109.7164.6-159.7172.6-160.8150.50109.8E875 R899 Y900E875-K895 IonicContact OE1-NZ 3.02Å; E875-K895 PolarHBondContact OE1-NZ 2.82Å; K895-R899 CarbonylContact C-O 3.52Å; K895-R899 VanDerWaalsContact CA-O 3.28Å; K895-R899 WeakPolarHBondContact CA-O 3.49Å; K895-Y900 HydrophobicContact CB-CD1 4.14Å; K895-Y900 HydrophobicContact CB-CE1 3.83Å; K895-Y900 HydrophobicContact CD-CE1 3.99Å; K895-Y900 HydrophobicContact CD-CE2 4.11Å; K895-Y900 WeakPolarHBondContact CD-OH 3.3Å; K895-Y900 WeakPolarHBondContact CE-OH 3.14Å; K895-Y900 HydrophobicContact CG-CD1 4.31Å; K895-Y900 HydrophobicContact CG-CE1 3.95Å; K895-Y900 HydrophobicContact CG-CE2 4.39Å; K895-Y900 PolarHBondContact NZ-OH 3.45Å
896N88.8Confident91.5Very high22 Ų2237.1 Ų37.112%0.11821%0.207CC..EExtended strand (participates in β ladder)trans-120.6116.7-177.7-175.124.1000110.6V894 N898 R899 E901 Y928V894-N896 HydrophobicContact CG2-CB 4.28Å; N896-N898 VanDerWaalsContact C-N 3.3Å; N896-N898 PolarHBondContact O-N 2.87Å; N896-R899 PolarHBondContact N-O 3.49Å; N896-R899 PolarHBondContact O-N 3.25Å; N896-E901 HydrophobicContact CB-CG 4.41Å; N896-E901 WeakPolarHBondContact CB-OE2 3.47Å; N896-E901 PolarHBondContact ND2-OE2 2.95Å; N896-Y928 WeakPolarHBondContact CB-OH 3.48Å; N896-Y928 VanDerWaalsContact CG-OH 3.28Å; N896-Y928 PolarHBondContact OD1-OH 3.45Å
897I84.4Confident91.4Very high131 Ų13138.5 Ų38.567%0.67222%0.216SC*.THydrogen-bonded Turntrans44.455.5-178.2-46.2173.4000111.1R899I897-R899 PolarHBondContact O-N 2.9Å; I897-R899 VanDerWaalsContact O-N 3.09Å
898N86.4Confident91.1Very high109 Ų10938.4 Ų38.458%0.58322%0.216SC*.THydrogen-bonded Turntrans60.87.1-177.4-62.2-20.7000117.1L859 Q871 N896L859-N898 HydrophobicContact CD1-CB 3.98Å; Q871-N898 PolarHBondContact NE2-O 3.35Å; N896-N898 VanDerWaalsContact C-N 3.3Å; N896-N898 PolarHBondContact O-N 2.87Å
899R90.5Very high90.8Very high30 Ų3039.1 Ų39.111%0.11321%0.214CC..EExtended strand (participates in β ladder)trans-100.1151.3168.9-61.9-168.5-59-88.3-3.2112F858 K895 N896 I897 E901F858-R899 HydrophobicContact CD1-CG 3.89Å; F858-R899 HydrophobicContact CE1-CG 3.99Å; K895-R899 CarbonylContact C-O 3.52Å; K895-R899 VanDerWaalsContact CA-O 3.28Å; K895-R899 WeakPolarHBondContact CA-O 3.49Å; N896-R899 PolarHBondContact N-O 3.49Å; N896-R899 PolarHBondContact O-N 3.25Å; I897-R899 PolarHBondContact O-N 2.9Å; I897-R899 VanDerWaalsContact O-N 3.09Å; R899-E901 HydrophobicContact CB-CG 3.97Å; R899-E901 IonicContact CZ-OE1 2.66Å; R899-E901 IonicContact NE-OE1 3.68Å; R899-E901 PolarHBondContact NE-OE1 2.85Å; R899-E901 IonicContact NH2-OE1 2.76Å; R899-E901 PolarHBondContact NH2-OE1 3.24Å
900Y94.1Very high89.8Confident8 Ų840.9 Ų40.93%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-95.3121.7164.9-68.9-82.2000109.5Y874 R880 V893 V894 K895 Y934Y874-Y900 VanDerWaalsContact CB-CD1 3.48Å; Y874-Y900 VanDerWaalsContact CB-CG 3.44Å; Y874-Y900 HydrophobicContact CG-CD1 4.31Å; Y874-Y900 HydrophobicContact CG-CG 4.45Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.43Å; R880-Y900 VanDerWaalsContact CZ-OH 3.3Å; R880-Y900 PolarHBondContact NE-OH 3.02Å; V893-Y900 HydrophobicContact CG1-CD1 4.29Å; V894-Y900 WeakPolarHBondContact O-CA 3.28Å; K895-Y900 HydrophobicContact CB-CD1 4.14Å; K895-Y900 HydrophobicContact CB-CE1 3.83Å; K895-Y900 HydrophobicContact CD-CE1 3.99Å; K895-Y900 HydrophobicContact CD-CE2 4.11Å; K895-Y900 WeakPolarHBondContact CD-OH 3.3Å; K895-Y900 WeakPolarHBondContact CE-OH 3.14Å; K895-Y900 HydrophobicContact CG-CD1 4.31Å; K895-Y900 HydrophobicContact CG-CE1 3.95Å; K895-Y900 HydrophobicContact CG-CE2 4.39Å; K895-Y900 PolarHBondContact NZ-OH 3.45Å; Y900-Y934 HydrophobicContact CD1-CE2 4.36Å; Y900-Y934 HydrophobicContact CE1-CD2 4.36Å; Y900-Y934 AromaticContact CE1-CE2 3.84Å; Y900-Y934 HydrophobicContact CE1-CE2 3.84Å
901E93.7Very high88.6Confident5 Ų543.1 Ų43.12%0.02323%0.233CC..EExtended strand (participates in β ladder)trans-128.2136.2-170.3-58-172.5145.800110.4V893 V894 N896 R899 L918 T921V893-E901 WeakPolarHBondContact CA-O 3.46Å; V894-E901 PolarHBondContact N-O 3.07Å; V894-E901 PolarHBondContact O-N 2.99Å; N896-E901 HydrophobicContact CB-CG 4.41Å; N896-E901 WeakPolarHBondContact CB-OE2 3.47Å; N896-E901 PolarHBondContact ND2-OE2 2.95Å; R899-E901 HydrophobicContact CB-CG 3.97Å; R899-E901 IonicContact CZ-OE1 2.66Å; R899-E901 IonicContact NE-OE1 3.68Å; R899-E901 PolarHBondContact NE-OE1 2.85Å; R899-E901 IonicContact NH2-OE1 2.76Å; R899-E901 PolarHBondContact NH2-OE1 3.24Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.24Å; E901-T921 HydrophobicContact CG-CG2 4.28Å; E901-T921 VanDerWaalsContact OE1-CB 3.24Å; E901-T921 WeakPolarHBondContact OE1-CB 3.2Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.33Å; E901-T921 PolarHBondContact OE1-OG1 3.26Å; E901-T921 PolarHBondContact OE2-OG1 3.27Å
902R95.9Very high88Confident0 Ų044.1 Ų44.10%025%0.247CC..EExtended strand (participates in β ladder)trans-73138.6174.3-57.2-174.4-55.8150.84.6109.9V870 M891 A892 V893 L919 D920 F940 S943 P944V870-R902 HydrophobicContact CG1-CG 4.41Å; V870-R902 HydrophobicContact CG2-CG 4.1Å; M891-R902 HydrophobicContact SD-CB 4.39Å; A892-R902 WeakPolarHBondContact O-CA 3.42Å; V893-R902 HydrophobicContact CG2-CG 4.38Å; R902-L919 HydrophobicContact CB-CB 4.44Å; R902-L919 HydrophobicContact CB-CD1 4.21Å; R902-L919 WeakPolarHBondContact O-CB 3.22Å; R902-L919 PolarHBondContact O-N 3.06Å; R902-L919 VanDerWaalsContact O-N 3.08Å; R902-D920 IonicContact CZ-OD1 3.26Å; R902-D920 IonicContact CZ-OD2 3.72Å; R902-D920 IonicContact NE-OD1 3.45Å; R902-D920 IonicContact NE-OD2 2.71Å; R902-D920 PolarHBondContact NE-OD2 3.24Å; R902-D920 IonicContact NH2-OD1 3.46Å; R902-D920 PolarHBondContact NH2-OD1 3.38Å; R902-D920 IonicContact NH2-OD2 3.69Å; R902-D920 PolarHBondContact NH2-OD2 3.1Å; R902-F940 WeakPolarHBondContact CD-O 3.27Å; R902-F940 PolarHBondContact NH1-O 2.96Å; R902-S943 PolarHBondContact NH1-O 3.15Å; R902-P944 PolarHBondContact NH2-O 2.78Å
903V95.4Very high87.7Confident0 Ų046.5 Ų46.50%026%0.259CS..EExtended strand (participates in β ladder)trans-135153.8-177.6-49.90000111.3M891 A892 V894 V916 Q917 L918 L933M891-V903 CarbonylContact C-O 3.6Å; M891-V903 VanDerWaalsContact CA-O 3.3Å; M891-V903 WeakPolarHBondContact CA-O 3.41Å; M891-V903 VanDerWaalsContact CG-O 3.31Å; M891-V903 WeakPolarHBondContact CG-O 3.45Å; A892-V903 HydrophobicContact CB-CG2 4Å; A892-V903 PolarHBondContact N-O 3.13Å; A892-V903 PolarHBondContact O-N 3.16Å; V894-V903 HydrophobicContact CB-CG1 4.48Å; V894-V903 HydrophobicContact CG1-CG1 4.21Å; V894-V903 HydrophobicContact CG1-CG2 4.14Å; V894-V903 HydrophobicContact CG2-CG1 3.64Å; V903-V916 HydrophobicContact CB-CB 3.82Å; V903-V916 HydrophobicContact CB-CG2 3.82Å; V903-V916 HydrophobicContact CG1-CB 4.49Å; V903-V916 HydrophobicContact CG1-CG2 3.93Å; V903-V916 HydrophobicContact CG2-CB 3.69Å; V903-V916 HydrophobicContact CG2-CG1 3.99Å; V903-V916 HydrophobicContact CG2-CG2 3.85Å; V903-Q917 CarbonylContact C-O 3.59Å; V903-Q917 WeakPolarHBondContact CA-O 3.32Å; V903-Q917 WeakPolarHBondContact CB-O 3.26Å; V903-L918 HydrophobicContact CG1-CD2 3.53Å; V903-L933 HydrophobicContact CG2-CD1 3.89Å
904H93.3Very high87.4Confident41 Ų4146.5 Ų46.519%0.1926%0.259CS..EExtended strand (participates in β ladder)trans-110.2125.8171.1175.1-58.4000108.6V906 V916 Q917 L919H904-V906 PolarHBondContact O-N 3.38Å; H904-V916 WeakPolarHBondContact O-CA 3.41Å; H904-Q917 PolarHBondContact N-O 3.41Å; H904-Q917 PolarHBondContact O-N 3.3Å; H904-L919 HydrophobicContact CB-CD1 4.34Å; H904-L919 HydrophobicContact CB-CD2 3.96Å; H904-L919 HydrophobicContact CB-CG 4.41Å
905I92.4Very high87.2Confident0 Ų048.6 Ų48.60%027%0.27CS..EExtended strand (participates in β ladder)trans-69123.8179.4-61.4156.7000108.6P886 V887 G889 E890 A892 V908 V914 V916 L933P886-I905 HydrophobicContact CB-CD1 3.82Å; V887-I905 WeakPolarHBondContact O-CB 3.42Å; G889-I905 PolarHBondContact N-O 3.12Å; E890-I905 HydrophobicContact CB-CD1 4.11Å; E890-I905 PolarHBondContact O-N 2.74Å; A892-I905 HydrophobicContact CB-CD1 4.29Å; A892-I905 HydrophobicContact CB-CG1 4.48Å; I905-V908 HydrophobicContact CG2-CG2 4.12Å; I905-V914 HydrophobicContact CB-CG1 4.49Å; I905-V914 HydrophobicContact CG1-CG1 4.23Å; I905-V914 HydrophobicContact CG2-CG1 3.63Å; I905-V916 HydrophobicContact CG1-CG1 4.26Å; I905-L933 HydrophobicContact CD1-CD2 4.07Å; I905-L933 HydrophobicContact CG1-CD2 4.2Å
906V88.9Confident87.2Confident62 Ų6245.1 Ų45.138%0.37626%0.255SS..EExtended strand (participates in β ladder)trans-96.4-46-177.8-178.60000110.2H904 L915 Q917H904-V906 PolarHBondContact O-N 3.38Å; V906-L915 HydrophobicContact CB-CD2 4.29Å; V906-L915 HydrophobicContact CB-CG 4.28Å; V906-L915 WeakPolarHBondContact CB-O 3.49Å; V906-L915 HydrophobicContact CG1-CD2 4.16Å; V906-L915 PolarHBondContact N-O 2.92Å; V906-Q917 HydrophobicContact CG2-CB 3.76Å
907S86.6Confident87.5Confident41 Ų4145.6 Ų45.629%0.28726%0.256SS..EExtended strand (participates in β ladder)trans-155.2152.6175.249.70000110.9L915S907-L915 PolarHBondContact N-O 3.27Å; S907-L915 PolarHBondContact O-N 3.26Å; S907-L915 WeakPolarHBondContact OG-CB 3.44Å
908V84.6Confident87.9Confident66 Ų6639.5 Ų39.540%0.423%0.225SC..EExtended strand (participates in β ladder)trans-108.1127.9171.7-177.60000107.3P886 P888 I905 V914P886-V908 HydrophobicContact CB-CG2 4.21Å; P886-V908 WeakPolarHBondContact O-CG2 3.35Å; P888-V908 HydrophobicContact CG-CG2 4.37Å; I905-V908 HydrophobicContact CG2-CG2 4.12Å; V908-V914 HydrophobicContact CG2-CG1 4.35Å
909E79.9Confident88.3Confident80 Ų8034.5 Ų34.537%0.37420%0.198SC..EExtended strand (participates in β ladder)trans-101.1150.9-175.7-64.6168.1-170.200110.1N911 A912 M913E909-N911 PolarHBondContact O-N 2.67Å; E909-A912 PolarHBondContact O-N 3Å; E909-M913 HydrophobicContact CB-CB 4.23Å; E909-M913 WeakPolarHBondContact CB-O 3.33Å; E909-M913 PolarHBondContact N-O 3.31Å
910S65.5Low88.4Confident87 Ų8733.6 Ų33.661%0.60820%0.195SC*.THydrogen-bonded Turntrans-59.8-13.5-172.252.70000115.6
911N66Low88.1Confident111 Ų11133.9 Ų33.959%0.59420%0.198SC*.THydrogen-bonded Turntrans-104.926.2-169.8-612.6000112.3E909 M913E909-N911 PolarHBondContact O-N 2.67Å; N911-M913 PolarHBondContact O-N 2.9Å
912A80Confident88Confident61 Ų6133.9 Ų33.950%0.50420%0.199SC..THydrogen-bonded Turntrans57.129.1-17400000114E909 K929 T930E909-A912 PolarHBondContact O-N 3Å; A912-K929 WeakPolarHBondContact O-CA 3.35Å; A912-T930 PolarHBondContact O-N 3.02Å; A912-T930 PolarHBondContact O-OG1 3.09Å
913M89.1Confident87.8Confident49 Ų4934.7 Ų34.724%0.24120%0.204CC..EExtended strand (participates in β ladder)trans-103.1147.3170.1-64.7-61-61.900109.3E909 N911 S927 Y928 K929E909-M913 HydrophobicContact CB-CB 4.23Å; E909-M913 WeakPolarHBondContact CB-O 3.33Å; E909-M913 PolarHBondContact N-O 3.31Å; N911-M913 PolarHBondContact O-N 2.9Å; M913-S927 VanDerWaalsContact CE-OG 3.24Å; M913-S927 WeakPolarHBondContact CE-OG 3.47Å; M913-Y928 CarbonylContact C-O 3.56Å; M913-Y928 WeakPolarHBondContact CA-O 3.43Å; M913-Y928 VanDerWaalsContact CE-C 3.42Å; M913-K929 HydrophobicContact CE-CG 4.48Å; M913-K929 HydrophobicContact SD-CB 4.34Å; M913-K929 HydrophobicContact SD-CG 3.58Å; M913-K929 VanDerWaalsContact SD-CG 3.58Å
914V90.4Very high87.5Confident1 Ų138.5 Ų38.51%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-131.4121.1-178.2-169.60000108P886 I905 V908 V916 S927 Y928 T930 L933P886-V914 HydrophobicContact CB-CG1 4.38Å; P886-V914 HydrophobicContact CB-CG2 4.28Å; P886-V914 HydrophobicContact CG-CG2 4.19Å; I905-V914 HydrophobicContact CB-CG1 4.49Å; I905-V914 HydrophobicContact CG1-CG1 4.23Å; I905-V914 HydrophobicContact CG2-CG1 3.63Å; V908-V914 HydrophobicContact CG2-CG1 4.35Å; V914-V916 HydrophobicContact CB-CG1 4.32Å; V914-V916 HydrophobicContact CG1-CG1 3.73Å; V914-S927 WeakPolarHBondContact O-CA 3.38Å; V914-Y928 PolarHBondContact N-O 3.49Å; V914-Y928 PolarHBondContact O-N 2.92Å; V914-T930 WeakPolarHBondContact CG2-OG1 3.4Å; V914-L933 HydrophobicContact CG1-CD2 4.28Å
915L92.3Very high87.4Confident44 Ų4439.5 Ų39.523%0.2323%0.232CC..EExtended strand (participates in β ladder)trans-83118.8172.7-174.668.7000108.4V906 S907 C925V906-L915 HydrophobicContact CB-CD2 4.29Å; V906-L915 HydrophobicContact CB-CG 4.28Å; V906-L915 WeakPolarHBondContact CB-O 3.49Å; V906-L915 HydrophobicContact CG1-CD2 4.16Å; V906-L915 PolarHBondContact N-O 2.92Å; S907-L915 PolarHBondContact N-O 3.27Å; S907-L915 PolarHBondContact O-N 3.26Å; S907-L915 WeakPolarHBondContact OG-CB 3.44Å; L915-C925 HydrophobicContact CD1-CB 3.88Å; L915-C925 HydrophobicContact CG-CB 4.19Å
916V93.4Very high87.3Confident0 Ų042.9 Ų42.90%025%0.247CC..EExtended strand (participates in β ladder)trans-125.4138.7-177.4-50.90000111V894 V903 H904 I905 V914 C925 F926 Y928 L933V894-V916 HydrophobicContact CG1-CG2 4.39Å; V903-V916 HydrophobicContact CB-CB 3.82Å; V903-V916 HydrophobicContact CB-CG2 3.82Å; V903-V916 HydrophobicContact CG1-CB 4.49Å; V903-V916 HydrophobicContact CG1-CG2 3.93Å; V903-V916 HydrophobicContact CG2-CB 3.69Å; V903-V916 HydrophobicContact CG2-CG1 3.99Å; V903-V916 HydrophobicContact CG2-CG2 3.85Å; H904-V916 WeakPolarHBondContact O-CA 3.41Å; I905-V916 HydrophobicContact CG1-CG1 4.26Å; V914-V916 HydrophobicContact CB-CG1 4.32Å; V914-V916 HydrophobicContact CG1-CG1 3.73Å; V916-C925 CarbonylContact O-C 3.56Å; V916-C925 VanDerWaalsContact O-CA 3.24Å; V916-C925 WeakPolarHBondContact O-CA 3.44Å; V916-F926 PolarHBondContact N-O 3.25Å; V916-F926 PolarHBondContact O-N 2.78Å; V916-Y928 HydrophobicContact CG2-CD2 3.68Å; V916-Y928 HydrophobicContact CG2-CE2 3.94Å; V916-L933 HydrophobicContact CG1-CD1 4.22Å
917Q93.8Very high87.4Confident31 Ų3142.6 Ų42.615%0.14525%0.248CC..EExtended strand (participates in β ladder)trans-92.1129.2173.1169.8165.776.800109.5V903 H904 V906 T923 E924V903-Q917 CarbonylContact C-O 3.59Å; V903-Q917 WeakPolarHBondContact CA-O 3.32Å; V903-Q917 WeakPolarHBondContact CB-O 3.26Å; H904-Q917 PolarHBondContact N-O 3.41Å; H904-Q917 PolarHBondContact O-N 3.3Å; V906-Q917 HydrophobicContact CG2-CB 3.76Å; Q917-T923 PolarHBondContact NE2-O 2.95Å; Q917-E924 WeakPolarHBondContact CA-O 3.33Å
918L94.1Very high87.7Confident3 Ų342 Ų422%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-67.4147.7171.8-56.5-172000110.7V894 E901 V903 S922 E924 F926V894-L918 HydrophobicContact CG2-CD2 4.47Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.24Å; V903-L918 HydrophobicContact CG1-CD2 3.53Å; L918-S922 CarbonylContact C-O 3.56Å; L918-S922 VanDerWaalsContact C-O 3.31Å; L918-S922 WeakPolarHBondContact CB-O 3.41Å; L918-E924 PolarHBondContact N-O 3.01Å; L918-F926 HydrophobicContact CD1-CD2 3.91Å; L918-F926 HydrophobicContact CD1-CE2 3.49Å; L918-F926 VanDerWaalsContact CD1-CE2 3.49Å; L918-F926 HydrophobicContact CD1-CZ 4.44Å; L918-F926 HydrophobicContact CD2-CD2 4.28Å; L918-F926 HydrophobicContact CG-CD2 3.82Å; L918-F926 HydrophobicContact CG-CE2 3.83Å
919L94.1Very high88.1Confident4 Ų444.5 Ų44.52%0.02125%0.245CC..SBendtrans-110.9-27.2-175.6-63.8179.1000114.9M891 R902 H904 R945 E946 A947M891-L919 HydrophobicContact CE-CD1 4.05Å; M891-L919 HydrophobicContact CG-CD1 3.86Å; M891-L919 HydrophobicContact SD-CD1 4Å; R902-L919 HydrophobicContact CB-CB 4.44Å; R902-L919 HydrophobicContact CB-CD1 4.21Å; R902-L919 WeakPolarHBondContact O-CB 3.22Å; R902-L919 PolarHBondContact O-N 3.06Å; R902-L919 VanDerWaalsContact O-N 3.08Å; H904-L919 HydrophobicContact CB-CD1 4.34Å; H904-L919 HydrophobicContact CB-CD2 3.96Å; H904-L919 HydrophobicContact CB-CG 4.41Å; L919-R945 HydrophobicContact CB-CB 4.19Å; L919-R945 HydrophobicContact CD2-CB 4.32Å; L919-R945 WeakPolarHBondContact O-CB 3.28Å; L919-E946 PolarHBondContact O-N 2.88Å; L919-A947 WeakPolarHBondContact O-CB 3.28Å; L919-A947 PolarHBondContact O-N 3.33Å
920D92.3Very high88.5Confident11 Ų1142.3 Ų42.36%0.05924%0.238CC..SBendtrans-122.6-22.4-166.6-58.5-41.5000114.9L836 R902 E946L836-D920 WeakPolarHBondContact CD1-O 3.49Å; R902-D920 IonicContact CZ-OD1 3.26Å; R902-D920 IonicContact CZ-OD2 3.72Å; R902-D920 IonicContact NE-OD1 3.45Å; R902-D920 IonicContact NE-OD2 2.71Å; R902-D920 PolarHBondContact NE-OD2 3.24Å; R902-D920 IonicContact NH2-OD1 3.46Å; R902-D920 PolarHBondContact NH2-OD1 3.38Å; R902-D920 IonicContact NH2-OD2 3.69Å; R902-D920 PolarHBondContact NH2-OD2 3.1Å; D920-E946 HydrophobicContact CB-CB 4.28Å; D920-E946 PolarHBondContact OD1-N 2.86Å; D920-E946 VanDerWaalsContact OD1-N 3.11Å
921T88.5Confident89.7Confident15 Ų1541.4 Ų41.49%0.09223%0.231CC..SBendtrans-120.5-17.9-172.562.20000114L836 F861 E901L836-T921 WeakPolarHBondContact CB-O 3.35Å; F861-T921 HydrophobicContact CD1-CG2 4.42Å; F861-T921 HydrophobicContact CE1-CG2 3.52Å; F861-T921 HydrophobicContact CZ-CG2 3.8Å; E901-T921 HydrophobicContact CG-CG2 4.28Å; E901-T921 VanDerWaalsContact OE1-CB 3.24Å; E901-T921 WeakPolarHBondContact OE1-CB 3.2Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.33Å; E901-T921 PolarHBondContact OE1-OG1 3.26Å; E901-T921 PolarHBondContact OE2-OG1 3.27Å
922S91.3Very high90.9Very high4 Ų440.3 Ų40.33%0.02822%0.223CC..  trans-157.7173.9172.1-170.10000107.8Y839 L918 E924 A947Y839-S922 PolarHBondContact OH-OG 2.9Å; L918-S922 CarbonylContact C-O 3.56Å; L918-S922 VanDerWaalsContact C-O 3.31Å; L918-S922 WeakPolarHBondContact CB-O 3.41Å; S922-E924 PolarHBondContact OG-N 3.4Å; S922-E924 PolarHBondContact OG-OE2 3.48Å; S922-A947 VanDerWaalsContact O-CB 3.31Å; S922-A947 WeakPolarHBondContact O-CB 3.28Å
923T91.1Very high91.6Very high17 Ų1737.5 Ų37.510%0.10420%0.199CC..  trans-113.34.1167.261.30000112.7Y839 Q917 A947Y839-T923 WeakPolarHBondContact OH-CA 3.46Å; Y839-T923 PolarHBondContact OH-N 3.31Å; Y839-T923 PolarHBondContact OH-OG1 3.36Å; Q917-T923 PolarHBondContact NE2-O 2.95Å; T923-A947 HydrophobicContact CG2-CB 3.96Å; T923-A947 WeakPolarHBondContact CG2-O 3.15Å
924E90.2Very high91.9Very high80 Ų8037 Ų3737%0.37420%0.195SC..  trans-63.9155.8174.6-78.4159.5139.600113.3Y839 Q917 L918 S922 F926Y839-E924 HydrophobicContact CD1-CG 4.2Å; Y839-E924 HydrophobicContact CE1-CG 3.5Å; Y839-E924 VanDerWaalsContact CE1-CG 3.5Å; Y839-E924 PolarHBondContact OH-N 3.06Å; Q917-E924 WeakPolarHBondContact CA-O 3.33Å; L918-E924 PolarHBondContact N-O 3.01Å; S922-E924 PolarHBondContact OG-N 3.4Å; S922-E924 PolarHBondContact OG-OE2 3.48Å; E924-F926 HydrophobicContact CB-CD2 4.32Å; E924-F926 HydrophobicContact CB-CE2 3.49Å; E924-F926 VanDerWaalsContact CB-CE2 3.49Å; E924-F926 HydrophobicContact CB-CZ 3.83Å
925C90.5Very high92Very high62 Ų6238.6 Ų38.642%0.41921%0.206SC..EExtended strand (participates in β ladder)trans-103.3137.6172.1-57.60000110.8L915 V916L915-C925 HydrophobicContact CD1-CB 3.88Å; L915-C925 HydrophobicContact CG-CB 4.19Å; V916-C925 CarbonylContact O-C 3.56Å; V916-C925 VanDerWaalsContact O-CA 3.24Å; V916-C925 WeakPolarHBondContact O-CA 3.44Å
926F90.6Very high92.1Very high71 Ų7136.8 Ų36.831%0.31120%0.197SC..EExtended strand (participates in β ladder)trans-130.2147.1178.7-62.8-91.1000109.9V916 L918 E924 Y928V916-F926 PolarHBondContact N-O 3.25Å; V916-F926 PolarHBondContact O-N 2.78Å; L918-F926 HydrophobicContact CD1-CD2 3.91Å; L918-F926 HydrophobicContact CD1-CE2 3.49Å; L918-F926 VanDerWaalsContact CD1-CE2 3.49Å; L918-F926 HydrophobicContact CD1-CZ 4.44Å; L918-F926 HydrophobicContact CD2-CD2 4.28Å; L918-F926 HydrophobicContact CG-CD2 3.82Å; L918-F926 HydrophobicContact CG-CE2 3.83Å; E924-F926 HydrophobicContact CB-CD2 4.32Å; E924-F926 HydrophobicContact CB-CE2 3.49Å; E924-F926 VanDerWaalsContact CB-CE2 3.49Å; E924-F926 HydrophobicContact CB-CZ 3.83Å; F926-Y928 HydrophobicContact CB-CD2 4.15Å; F926-Y928 HydrophobicContact CB-CE2 3.61Å
927S92.1Very high92.1Very high57 Ų5738.9 Ų38.940%0.39921%0.209SC..EExtended strand (participates in β ladder)trans-98.5121.9176.1-1700000109.8M913 V914M913-S927 VanDerWaalsContact CE-OG 3.24Å; M913-S927 WeakPolarHBondContact CE-OG 3.47Å; V914-S927 WeakPolarHBondContact O-CA 3.38Å
928Y92Very high91.8Very high27 Ų2742.9 Ų42.911%0.10623%0.228CC..EExtended strand (participates in β ladder)trans-120.4156.3178.6-73.4-88.3000110.5V894 N896 M913 V914 V916 F926 Q932V894-Y928 HydrophobicContact CB-CE1 4.33Å; V894-Y928 HydrophobicContact CB-CE2 4.28Å; V894-Y928 HydrophobicContact CG1-CD2 4.03Å; V894-Y928 HydrophobicContact CG1-CE2 4.17Å; V894-Y928 HydrophobicContact CG1-CG 4.22Å; V894-Y928 HydrophobicContact CG2-CE1 4.47Å; V894-Y928 HydrophobicContact CG2-CE2 3.92Å; N896-Y928 WeakPolarHBondContact CB-OH 3.48Å; N896-Y928 VanDerWaalsContact CG-OH 3.28Å; N896-Y928 PolarHBondContact OD1-OH 3.45Å; M913-Y928 CarbonylContact C-O 3.56Å; M913-Y928 WeakPolarHBondContact CA-O 3.43Å; M913-Y928 VanDerWaalsContact CE-C 3.42Å; V914-Y928 PolarHBondContact N-O 3.49Å; V914-Y928 PolarHBondContact O-N 2.92Å; V916-Y928 HydrophobicContact CG2-CD2 3.68Å; V916-Y928 HydrophobicContact CG2-CE2 3.94Å; F926-Y928 HydrophobicContact CB-CD2 4.15Å; F926-Y928 HydrophobicContact CB-CE2 3.61Å; Y928-Q932 HydrophobicContact CD1-CB 4.29Å
929K92.1Very high91.5Very high119 Ų11947.7 Ų47.752%0.51725%0.253SS..EExtended strand (participates in β ladder)trans-68.6146.6167.6-65.5176.9178.2-179.10109.6A912 M913 S931 Q932A912-K929 WeakPolarHBondContact O-CA 3.35Å; M913-K929 HydrophobicContact CE-CG 4.48Å; M913-K929 HydrophobicContact SD-CB 4.34Å; M913-K929 HydrophobicContact SD-CG 3.58Å; M913-K929 VanDerWaalsContact SD-CG 3.58Å; K929-S931 PolarHBondContact O-N 2.85Å; K929-S931 VanDerWaalsContact O-N 3.08Å; K929-Q932 HydrophobicContact CB-CG 4.2Å; K929-Q932 WeakPolarHBondContact O-CB 3.33Å; K929-Q932 PolarHBondContact O-N 2.99Å
930T89.4Confident91.4Very high35 Ų3547.7 Ų47.722%0.21525%0.253CS..G310 helixtrans-52.3-33.4173.3-60.30000112.7P886 A912 V914 Q932 L933P886-T930 HydrophobicContact CG-CG2 3.7Å; A912-T930 PolarHBondContact O-N 3.02Å; A912-T930 PolarHBondContact O-OG1 3.09Å; V914-T930 WeakPolarHBondContact CG2-OG1 3.4Å; T930-Q932 PolarHBondContact O-N 2.87Å; T930-L933 WeakPolarHBondContact O-CB 3.45Å; T930-L933 PolarHBondContact O-N 2.76Å
931S89.6Confident91.3Very high68 Ų6850 Ų5048%0.47626%0.262SS..G310 helixtrans-71.5-8.7176.855.40000115.6K929K929-S931 PolarHBondContact O-N 2.85Å; K929-S931 VanDerWaalsContact O-N 3.08Å
932Q91.6Very high91.2Very high88 Ų8856 Ų5641%0.41129%0.294SS..G310 helixtrans-99.51.4175.6-61.8172.3-56.500112.3Y928 K929 T930Y928-Q932 HydrophobicContact CD1-CB 4.29Å; K929-Q932 HydrophobicContact CB-CG 4.2Å; K929-Q932 WeakPolarHBondContact O-CB 3.33Å; K929-Q932 PolarHBondContact O-N 2.99Å; T930-Q932 PolarHBondContact O-N 2.87Å
933L94.3Very high91.1Very high1 Ų157.1 Ų57.11%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-103128-177.5-163.666.2000110H883 P886 A892 V894 V903 I905 V914 V916 T930H883-L933 HydrophobicContact CB-CB 4.21Å; H883-L933 HydrophobicContact CB-CD2 4.13Å; H883-L933 HydrophobicContact CB-CG 4.04Å; H883-L933 PolarHBondContact N-O 3.26Å; P886-L933 HydrophobicContact CB-CD2 3.91Å; P886-L933 HydrophobicContact CG-CD2 3.87Å; A892-L933 HydrophobicContact CB-CD1 3.54Å; A892-L933 HydrophobicContact CB-CD2 4.05Å; A892-L933 HydrophobicContact CB-CG 3.72Å; V894-L933 HydrophobicContact CG1-CD1 3.46Å; V894-L933 VanDerWaalsContact CG1-CD1 3.46Å; V903-L933 HydrophobicContact CG2-CD1 3.89Å; I905-L933 HydrophobicContact CD1-CD2 4.07Å; I905-L933 HydrophobicContact CG1-CD2 4.2Å; V914-L933 HydrophobicContact CG1-CD2 4.28Å; V916-L933 HydrophobicContact CG1-CD1 4.22Å; T930-L933 WeakPolarHBondContact O-CB 3.45Å; T930-L933 PolarHBondContact O-N 2.76Å
934Y95.4Very high91.1Very high39 Ų3959 Ų5915%0.15331%0.314CS..EExtended strand (participates in β ladder)trans-107.8148.2178.1-53.3-66.9000111.1R880 H881 A892 V893 Y900 C936R880-Y934 HydrophobicContact CB-CD1 4Å; R880-Y934 HydrophobicContact CB-CE1 3.76Å; R880-Y934 WeakPolarHBondContact O-CD1 3.27Å; H881-Y934 CarbonylContact O-C 3.55Å; H881-Y934 VanDerWaalsContact O-CA 3.22Å; H881-Y934 WeakPolarHBondContact O-CA 3.46Å; H881-Y934 WeakPolarHBondContact O-CB 3.41Å; A892-Y934 WeakPolarHBondContact CB-O 3.48Å; V893-Y934 PolarHBondContact N-O 3.28Å; V893-Y934 PolarHBondContact O-N 3.45Å; Y900-Y934 HydrophobicContact CD1-CE2 4.36Å; Y900-Y934 HydrophobicContact CE1-CD2 4.36Å; Y900-Y934 AromaticContact CE1-CE2 3.84Å; Y900-Y934 HydrophobicContact CE1-CE2 3.84Å; Y934-C936 PolarHBondContact O-N 3.08Å
935S94.1Very high91.3Very high35 Ų3556.7 Ų56.725%0.24530%0.302CS..EExtended strand (participates in β ladder)trans-63126.2173.1-58.40000110.6Y874 H881Y874-S935 PolarHBondContact OH-O 3.06Å; H881-S935 PolarHBondContact O-N 3.37Å
936C94.4Very high91.4Very high5 Ų554.1 Ų54.13%0.03428%0.284CS..PPolyproline II helixtrans-72.9126.3171.4-165.60000109.2Y874 M891 V893 Y934 K941Y874-C936 WeakPolarHBondContact OH-CA 3.31Å; M891-C936 HydrophobicContact CG-CB 4.43Å; M891-C936 WeakPolarHBondContact O-CB 3.33Å; V893-C936 HydrophobicContact CG2-CB 4.25Å; Y934-C936 PolarHBondContact O-N 3.08Å; C936-K941 HydrophobicContact CB-CG 4.09Å; C936-K941 WeakPolarHBondContact O-CE 3.37Å
937V92.4Very high91.6Very high44 Ų4450.8 Ų50.827%0.26727%0.269SS..PPolyproline II helixtrans-76.6144.5174.7-690000110.9Y874 I939 F940 K941Y874-V937 PolarHBondContact OH-N 3.36Å; Y874-V937 VanDerWaalsContact OH-N 3.17Å; V937-I939 HydrophobicContact CB-CG1 4.3Å; V937-I939 HydrophobicContact CG2-CD1 4.11Å; V937-I939 HydrophobicContact CG2-CG1 3.6Å; V937-I939 PolarHBondContact O-N 2.89Å; V937-I939 VanDerWaalsContact O-N 3.07Å; V937-F940 HydrophobicContact CG2-CD2 3.33Å; V937-F940 HydrophobicContact CG2-CE2 3.59Å; V937-F940 HydrophobicContact CG2-CG 4.16Å; V937-F940 PolarHBondContact O-N 3.31Å; V937-K941 PolarHBondContact O-N 3.07Å
938E88Confident91.8Very high116 Ų11648 Ų4854%0.54225%0.25SC..Hα-helixtrans-52-38.5-171-54.9-51.4122.200113.8F940 K941 D942E938-F940 PolarHBondContact O-N 2.97Å; E938-K941 PolarHBondContact O-N 2.87Å; E938-K941 WeakPolarHBondContact OE1-CE 3.43Å; E938-K941 IonicContact OE1-NZ 3.52Å; E938-K941 PolarHBondContact OE1-NZ 2.9Å; E938-K941 WeakPolarHBondContact OE2-CD 3.35Å; E938-K941 IonicContact OE2-NZ 2.76Å; E938-D942 PolarHBondContact O-N 2.74Å
939I88.3Confident91.9Very high104 Ų10447.6 Ų47.653%0.53325%0.249SC..Hα-helixtrans-56.6-13.817662.3166.8000115V937V937-I939 HydrophobicContact CB-CG1 4.3Å; V937-I939 HydrophobicContact CG2-CD1 4.11Å; V937-I939 HydrophobicContact CG2-CG1 3.6Å; V937-I939 PolarHBondContact O-N 2.89Å; V937-I939 VanDerWaalsContact O-N 3.07Å
940F92.3Very high92.2Very high4 Ų442 Ų422%0.01823%0.225CC..Hα-helixtrans-114.2-11.1175-57.7-37.3000113.5L866 R869 V870 H873 Y874 R902 V937 E938L866-F940 HydrophobicContact CD1-CD1 3.91Å; R869-F940 HydrophobicContact CB-CE1 3.85Å; R869-F940 HydrophobicContact CB-CZ 4.24Å; V870-F940 HydrophobicContact CG2-CB 4.37Å; V870-F940 HydrophobicContact CG2-CD1 3.86Å; V870-F940 HydrophobicContact CG2-CD2 3.91Å; V870-F940 HydrophobicContact CG2-CE1 4.07Å; V870-F940 HydrophobicContact CG2-CE2 4.11Å; V870-F940 HydrophobicContact CG2-CG 3.79Å; V870-F940 HydrophobicContact CG2-CZ 4.19Å; H873-F940 HydrophobicContact CB-CE2 3.78Å; H873-F940 HydrophobicContact CB-CZ 3.81Å; H873-F940 AromaticContact CD2-CE2 3.86Å; H873-F940 AromaticContact CG-CE2 3.77Å; Y874-F940 HydrophobicContact CD2-CE2 4.45Å; Y874-F940 AromaticContact CE2-CD2 3.91Å; Y874-F940 HydrophobicContact CE2-CD2 3.91Å; Y874-F940 AromaticContact CE2-CE2 3.86Å; Y874-F940 HydrophobicContact CE2-CE2 3.86Å; R902-F940 WeakPolarHBondContact CD-O 3.27Å; R902-F940 PolarHBondContact NH1-O 2.96Å; V937-F940 HydrophobicContact CG2-CD2 3.33Å; V937-F940 HydrophobicContact CG2-CE2 3.59Å; V937-F940 HydrophobicContact CG2-CG 4.16Å; V937-F940 PolarHBondContact O-N 3.31Å; E938-F940 PolarHBondContact O-N 2.97Å
941K89Confident92.5Very high59 Ų5942.3 Ų42.326%0.25722%0.222SC..Hα-helixtrans-76.3-39.4173-72.6178.1175.3167.70111.9M891 C936 V937 E938 S943M891-K941 HydrophobicContact CB-CG 4.45Å; M891-K941 HydrophobicContact SD-CG 4.4Å; C936-K941 HydrophobicContact CB-CG 4.09Å; C936-K941 WeakPolarHBondContact O-CE 3.37Å; V937-K941 PolarHBondContact O-N 3.07Å; E938-K941 PolarHBondContact O-N 2.87Å; E938-K941 WeakPolarHBondContact OE1-CE 3.43Å; E938-K941 IonicContact OE1-NZ 3.52Å; E938-K941 PolarHBondContact OE1-NZ 2.9Å; E938-K941 WeakPolarHBondContact OE2-CD 3.35Å; E938-K941 IonicContact OE2-NZ 2.76Å; K941-S943 PolarHBondContact O-N 2.76Å; K941-S943 VanDerWaalsContact O-N 3.16Å
942D86.4Confident92.9Very high142 Ų14239.3 Ų39.376%0.75920%0.201SC*.SBendtrans-63.9-18.4-179.5-65.6-27.4000114.2E938E938-D942 PolarHBondContact O-N 2.74Å
943S89.6Confident93Very high27 Ų2736.3 Ų36.319%0.18919%0.187CC..SBendtrans-83.8135.8-176.7-61.90000111.8L866 R902 K941L866-S943 VanDerWaalsContact CD2-CB 3.49Å; R902-S943 PolarHBondContact NH1-O 3.15Å; K941-S943 PolarHBondContact O-N 2.76Å; K941-S943 VanDerWaalsContact O-N 3.16Å
944P91.9Very high93Very high55 Ų5536.3 Ų36.336%0.35719%0.187SC..PPolyproline II helixtrans-62.7166.4176.528.4-36000112.2F852 R902F852-P944 HydrophobicContact CE1-CG 4Å; F852-P944 HydrophobicContact CZ-CG 4Å; R902-P944 PolarHBondContact NH2-O 2.78Å
945R92.6Very high93Very high33 Ų3334.4 Ų34.413%0.12518%0.18CC..PPolyproline II helixtrans-73.9140.4174.665.5178.167-142.1-2.5110.4Y825 L919Y825-R945 HydrophobicContact CE2-CG 4.43Å; L919-R945 HydrophobicContact CB-CB 4.19Å; L919-R945 HydrophobicContact CD2-CB 4.32Å; L919-R945 WeakPolarHBondContact O-CB 3.28Å
946E94Very high92.9Very high8 Ų832.8 Ų32.84%0.03717%0.169CC..  trans-94.3-26.1178.5-61.2-167.8-176.500114.2R847 F852 S864 L866 L919 D920R847-E946 WeakPolarHBondContact CD-OE2 3.26Å; R847-E946 HydrophobicContact CG-CB 4.2Å; R847-E946 IonicContact CZ-OE2 3.48Å; R847-E946 IonicContact NE-OE2 3.75Å; R847-E946 IonicContact NH1-OE2 3.97Å; R847-E946 PolarHBondContact NH1-OE2 3.1Å; F852-E946 HydrophobicContact CB-CG 4.24Å; F852-E946 HydrophobicContact CD1-CG 3.77Å; F852-E946 HydrophobicContact CD2-CB 4.44Å; F852-E946 HydrophobicContact CD2-CG 4.41Å; F852-E946 HydrophobicContact CE1-CG 4.22Å; F852-E946 HydrophobicContact CG-CB 4.29Å; F852-E946 HydrophobicContact CG-CG 3.88Å; S864-E946 WeakPolarHBondContact CB-OE1 3.46Å; S864-E946 VanDerWaalsContact CB-OE2 3.3Å; S864-E946 WeakPolarHBondContact CB-OE2 3.48Å; S864-E946 PolarHBondContact OG-OE1 2.84Å; S864-E946 PolarHBondContact OG-OE2 2.87Å; L866-E946 WeakPolarHBondContact CB-OE1 3.36Å; L919-E946 PolarHBondContact O-N 2.88Å; D920-E946 HydrophobicContact CB-CB 4.28Å; D920-E946 PolarHBondContact OD1-N 2.86Å; D920-E946 VanDerWaalsContact OD1-N 3.11Å
947A94.6Very high92.7Very high0 Ų032.9 Ų32.90%017%0.169CC..  trans-88.3123.6178.400000111L836 L919 S922 T923L836-A947 HydrophobicContact CD1-CB 3.9Å; L919-A947 WeakPolarHBondContact O-CB 3.28Å; L919-A947 PolarHBondContact O-N 3.33Å; S922-A947 VanDerWaalsContact O-CB 3.31Å; S922-A947 WeakPolarHBondContact O-CB 3.28Å; T923-A947 HydrophobicContact CG2-CB 3.96Å; T923-A947 WeakPolarHBondContact CG2-O 3.15Å
948M95.4Very high92.2Very high0 Ų033.9 Ų33.90%017%0.171CC..EExtended strand (participates in β ladder)trans-116.5141178.3-57.5-178.7176.100109.8Y825 A845 V846 L848 F852 I1000Y825-M948 HydrophobicContact CD1-SD 4.33Å; Y825-M948 HydrophobicContact CD2-CE 3.81Å; Y825-M948 HydrophobicContact CD2-CG 4.48Å; Y825-M948 HydrophobicContact CD2-SD 4.2Å; Y825-M948 HydrophobicContact CE1-CB 4.06Å; Y825-M948 HydrophobicContact CE1-CG 4.05Å; Y825-M948 HydrophobicContact CE1-SD 4.33Å; Y825-M948 HydrophobicContact CE2-CE 3.97Å; Y825-M948 HydrophobicContact CE2-CG 3.9Å; Y825-M948 HydrophobicContact CE2-SD 4.22Å; Y825-M948 HydrophobicContact CG-CE 4.34Å; Y825-M948 HydrophobicContact CG-SD 4.27Å; A845-M948 WeakPolarHBondContact CA-O 3.42Å; V846-M948 HydrophobicContact CG2-CB 4.23Å; V846-M948 PolarHBondContact N-O 3.41Å; V846-M948 PolarHBondContact O-N 2.69Å; L848-M948 HydrophobicContact CD1-CE 3.8Å; L848-M948 HydrophobicContact CD1-SD 3.57Å; L848-M948 VanDerWaalsContact CD1-SD 3.57Å; L848-M948 HydrophobicContact CD2-SD 4.38Å; L848-M948 HydrophobicContact CG-CE 4.22Å; L848-M948 HydrophobicContact CG-SD 3.71Å; F852-M948 HydrophobicContact CE2-CE 4.07Å; M948-I1000 HydrophobicContact CB-CD1 4.08Å; M948-I1000 HydrophobicContact CG-CD1 4.47Å; M948-I1000 HydrophobicContact SD-CD1 3.64Å
949D95.6Very high92.1Very high18 Ų1829.9 Ų29.910%0.09616%0.156CC..EExtended strand (participates in β ladder)trans-79.6121170.7-170.5-22.4000108.5R951 T999 I1000D949-R951 VanDerWaalsContact CG-NE 3.34Å; D949-R951 VanDerWaalsContact OD1-CG 3.22Å; D949-R951 WeakPolarHBondContact OD1-CG 3.48Å; D949-R951 IonicContact OD1-CZ 2.8Å; D949-R951 IonicContact OD1-NE 3.77Å; D949-R951 PolarHBondContact OD1-NE 2.81Å; D949-R951 IonicContact OD1-NH2 2.69Å; D949-R951 IonicContact OD2-CZ 3.53Å; D949-R951 VanDerWaalsContact OD2-CZ 3.29Å; D949-R951 IonicContact OD2-NE 3.45Å; D949-R951 PolarHBondContact OD2-NE 2.91Å; D949-R951 VanDerWaalsContact OD2-NE 3.17Å; D949-R951 IonicContact OD2-NH2 3.31Å; D949-R951 PolarHBondContact OD2-NH2 3.41Å; D949-T999 CarbonylContact O-C 3.53Å; D949-T999 WeakPolarHBondContact O-CA 3.39Å; D949-I1000 PolarHBondContact O-N 3.32Å
950L97.1Very high92.1Very high1 Ų125 Ų251%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-123.2127.6179.7-178152.4000109.9I831 F833 L844 V846 I1000 V1002 I1005I831-L950 HydrophobicContact CD1-CD1 3.64Å; F833-L950 HydrophobicContact CD1-CD1 4.29Å; F833-L950 HydrophobicContact CE1-CD1 3.94Å; F833-L950 HydrophobicContact CZ-CD1 4.05Å; F833-L950 HydrophobicContact CZ-CD2 4.35Å; L844-L950 HydrophobicContact CD1-CD2 4.47Å; L844-L950 PolarHBondContact N-O 3.29Å; L844-L950 PolarHBondContact O-N 2.9Å; V846-L950 HydrophobicContact CB-CB 4.46Å; V846-L950 HydrophobicContact CG1-CB 3.96Å; V846-L950 HydrophobicContact CG1-CD1 4.44Å; V846-L950 HydrophobicContact CG2-CB 3.62Å; V846-L950 HydrophobicContact CG2-CD1 3.92Å; V846-L950 HydrophobicContact CG2-CG 4.4Å; L950-I1000 WeakPolarHBondContact CA-O 3.36Å; L950-I1000 HydrophobicContact CD1-CG2 4.38Å; L950-V1002 HydrophobicContact CD1-CG1 4.19Å; L950-V1002 HydrophobicContact CD2-CG2 3.85Å; L950-V1002 HydrophobicContact CG-CG1 4.31Å; L950-V1002 HydrophobicContact CG-CG2 4.44Å; L950-I1005 HydrophobicContact CD2-CD1 3.38Å; L950-I1005 HydrophobicContact CD2-CG1 4.03Å
951R96.5Very high91.8Very high42 Ų4228.2 Ų28.216%0.15815%0.148CC..EExtended strand (participates in β ladder)trans-129.8142.3-170.9-56.6-170.9-177.4-176.6-1.8112.7A798 A842 A843 D949 L953 T999 I1000 F1001 V1002A798-R951 PolarHBondContact O-NH1 2.74Å; A842-R951 CarbonylContact O-C 3.52Å; A842-R951 VanDerWaalsContact O-CA 3.25Å; A842-R951 WeakPolarHBondContact O-CA 3.5Å; A843-R951 HydrophobicContact CB-CG 4.01Å; D949-R951 VanDerWaalsContact CG-NE 3.34Å; D949-R951 VanDerWaalsContact OD1-CG 3.22Å; D949-R951 WeakPolarHBondContact OD1-CG 3.48Å; D949-R951 IonicContact OD1-CZ 2.8Å; D949-R951 IonicContact OD1-NE 3.77Å; D949-R951 PolarHBondContact OD1-NE 2.81Å; D949-R951 IonicContact OD1-NH2 2.69Å; D949-R951 IonicContact OD2-CZ 3.53Å; D949-R951 VanDerWaalsContact OD2-CZ 3.29Å; D949-R951 IonicContact OD2-NE 3.45Å; D949-R951 PolarHBondContact OD2-NE 2.91Å; D949-R951 VanDerWaalsContact OD2-NE 3.17Å; D949-R951 IonicContact OD2-NH2 3.31Å; D949-R951 PolarHBondContact OD2-NH2 3.41Å; R951-L953 PolarHBondContact O-N 3.08Å; R951-T999 HydrophobicContact CB-CG2 4.42Å; R951-T999 HydrophobicContact CG-CG2 3.84Å; R951-I1000 PolarHBondContact N-O 3.15Å; R951-F1001 HydrophobicContact CB-CD1 4.27Å; R951-F1001 HydrophobicContact CB-CE1 4.3Å; R951-V1002 PolarHBondContact O-N 3.17Å
952I96.7Very high91.8Very high5 Ų526.1 Ų26.13%0.02614%0.139CC..EExtended strand (participates in β ladder)trans-81.9116.1172.3-58.7-179.2000108.4A842 G954 L955 V1002 I1005 L1013 L1014A842-I952 PolarHBondContact O-N 2.8Å; I952-G954 PolarHBondContact O-N 2.81Å; I952-L955 HydrophobicContact CB-CB 4.08Å; I952-L955 HydrophobicContact CB-CD2 3.98Å; I952-L955 HydrophobicContact CD1-CD2 3.96Å; I952-L955 HydrophobicContact CG2-CB 3.76Å; I952-L955 HydrophobicContact CG2-CD2 3.83Å; I952-L955 HydrophobicContact CG2-CG 4.44Å; I952-L955 PolarHBondContact O-N 3.17Å; I952-V1002 WeakPolarHBondContact CA-O 3.36Å; I952-V1002 HydrophobicContact CG1-CG2 4.4Å; I952-I1005 HydrophobicContact CD1-CD1 4.33Å; I952-I1005 HydrophobicContact CD1-CG1 4.39Å; I952-I1005 HydrophobicContact CG1-CD1 4.21Å; I952-I1005 HydrophobicContact CG1-CG1 4.31Å; I952-L1013 HydrophobicContact CD1-CD2 4.02Å; I952-L1013 HydrophobicContact CD1-CG 4.16Å; I952-L1014 HydrophobicContact CG2-CD1 4.24Å
953L95.6Very high91.8Very high24 Ų2425.3 Ų25.313%0.12613%0.133CC..THydrogen-bonded Turntrans-57.1127.5-175.2-178.370.6000111.7R951 L955 F1001 V1002 C1029 Q1030 L1033R951-L953 PolarHBondContact O-N 3.08Å; L953-L955 PolarHBondContact O-N 3.28Å; L953-L955 VanDerWaalsContact O-N 3.09Å; L953-F1001 HydrophobicContact CD1-CB 4.43Å; L953-F1001 HydrophobicContact CD1-CD1 4.08Å; L953-F1001 HydrophobicContact CD1-CG 4.49Å; L953-V1002 WeakPolarHBondContact CB-O 3.41Å; L953-V1002 PolarHBondContact N-O 3.32Å; L953-C1029 HydrophobicContact CD1-CB 4.08Å; L953-C1029 HydrophobicContact CG-CB 4.33Å; L953-Q1030 HydrophobicContact CD1-CB 4.43Å; L953-Q1030 HydrophobicContact CD2-CB 4.14Å; L953-L1033 HydrophobicContact CD1-CD1 3.84Å
954G93.8Very high91.7Very high1 Ų125.5 Ų25.51%0.0113%0.13CC..THydrogen-bonded Turntrans72.7-11.4176.300000116.6I952 Q956 D1026 C1029I952-G954 PolarHBondContact O-N 2.81Å; G954-Q956 PolarHBondContact O-N 3.41Å; G954-Q956 PolarHBondContact O-NE2 2.79Å; G954-D1026 PolarHBondContact O-N 3.43Å; G954-C1029 VanDerWaalsContact CA-CB 3.46Å; G954-C1029 PolarHBondContact N-SG 3.15Å; G954-C1029 VanDerWaalsContact N-SG 3.43Å
955L95.5Very high91.3Very high0 Ų024.6 Ų24.60%012%0.124CC..EExtended strand (participates in β ladder)trans-75.5109.4-174.5-178.861.9000111.4A842 I952 L953 W964 L1014 V1017 I1018A842-L955 HydrophobicContact CB-CB 4.05Å; A842-L955 HydrophobicContact CB-CD2 3.94Å; A842-L955 HydrophobicContact CB-CG 3.94Å; A842-L955 VanDerWaalsContact CB-O 3.25Å; A842-L955 WeakPolarHBondContact CB-O 3.47Å; I952-L955 HydrophobicContact CB-CB 4.08Å; I952-L955 HydrophobicContact CB-CD2 3.98Å; I952-L955 HydrophobicContact CD1-CD2 3.96Å; I952-L955 HydrophobicContact CG2-CB 3.76Å; I952-L955 HydrophobicContact CG2-CD2 3.83Å; I952-L955 HydrophobicContact CG2-CG 4.44Å; I952-L955 PolarHBondContact O-N 3.17Å; L953-L955 PolarHBondContact O-N 3.28Å; L953-L955 VanDerWaalsContact O-N 3.09Å; L955-W964 HydrophobicContact CD1-CH2 4.42Å; L955-W964 HydrophobicContact CD1-CZ2 4.47Å; L955-W964 HydrophobicContact CG-CH2 4.42Å; L955-W964 HydrophobicContact CG-CZ2 4.07Å; L955-L1014 HydrophobicContact CD1-CD1 3.88Å; L955-L1014 HydrophobicContact CD2-CD1 3.89Å; L955-L1014 HydrophobicContact CG-CD1 4.3Å; L955-V1017 HydrophobicContact CD1-CG1 4.4Å; L955-V1017 HydrophobicContact CD2-CG1 4.26Å; L955-I1018 HydrophobicContact CD1-CG1 4.48Å
956Q92.1Very high90.8Very high0 Ų027.4 Ų27.40%014%0.141CC..EExtended strand (participates in β ladder)trans-133.9155.1-177.672.9-157.8-97.800111.2F800 G954 R962 S1023 H1024 D1026F800-Q956 HydrophobicContact CE1-CB 3.89Å; F800-Q956 HydrophobicContact CZ-CB 4.04Å; G954-Q956 PolarHBondContact O-N 3.41Å; G954-Q956 PolarHBondContact O-NE2 2.79Å; Q956-R962 HydrophobicContact CB-CG 4.5Å; Q956-S1023 CarbonylContact O-C 3.54Å; Q956-S1023 VanDerWaalsContact O-CA 3.26Å; Q956-S1023 WeakPolarHBondContact O-CA 3.39Å; Q956-S1023 WeakPolarHBondContact O-CB 3.42Å; Q956-H1024 PolarHBondContact N-O 3.48Å; Q956-H1024 PolarHBondContact O-N 3.41Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.28Å
957P89.4Confident90Very high7 Ų727.9 Ų27.95%0.04514%0.144CC..EExtended strand (participates in β ladder)trans-73.9163.317432.2-31000110.4S959 R962 W964 R1022P957-S959 PolarHBondContact O-N 2.88Å; P957-R962 VanDerWaalsContact CG-C 3.47Å; P957-W964 HydrophobicContact CB-CD2 3.93Å; P957-W964 HydrophobicContact CB-CE3 3.97Å; P957-W964 HydrophobicContact CB-CG 4.41Å; P957-W964 HydrophobicContact CB-CZ3 4.33Å; P957-W964 HydrophobicContact CG-CD2 4.08Å; P957-W964 HydrophobicContact CG-CG 4.15Å; P957-R1022 WeakPolarHBondContact CA-O 3.44Å
958E82.9Confident89.6Confident66 Ų6627.9 Ų27.931%0.30814%0.144SC..SBendtrans-7357.1175.8-68.1-177.715900113.1M761 R1022M761-E958 HydrophobicContact CE-CB 3.75Å; M761-E958 HydrophobicContact CE-CG 4.08Å; E958-R1022 HydrophobicContact CB-CB 4.11Å; E958-R1022 HydrophobicContact CG-CB 4.03Å; E958-R1022 PolarHBondContact N-O 2.88Å; E958-R1022 VanDerWaalsContact OE2-CB 3.29Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.24Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.31Å; E958-R1022 WeakPolarHBondContact OE2-CG 3.46Å
959S85.6Confident89.3Confident32 Ų3231.4 Ų31.422%0.22416%0.157CC..SBendtrans-147.2148.2177.169.30000112.3P957 D961 R962P957-S959 PolarHBondContact O-N 2.88Å; S959-D961 VanDerWaalsContact C-N 3.34Å; S959-R962 WeakPolarHBondContact O-CG 3.49Å; S959-R962 PolarHBondContact O-N 2.9Å; S959-R962 PolarHBondContact OG-N 3.13Å
960L87.9Confident88.8Confident2 Ų233.4 Ų33.41%0.0117%0.168CC..THydrogen-bonded Turntrans-70.2-31.1178.4-59.6-172.1000112.8W754 C757 D758 M761 L772 Q796 L804 R962W754-L960 HydrophobicContact CD2-CD1 3.9Å; W754-L960 VanDerWaalsContact CE2-CD1 3.5Å; W754-L960 HydrophobicContact CG-CD1 4.2Å; W754-L960 HydrophobicContact CH2-CD1 4.44Å; W754-L960 HydrophobicContact CZ2-CB 3.89Å; W754-L960 HydrophobicContact CZ2-CD1 3.81Å; W754-L960 HydrophobicContact CZ2-CG 4.44Å; C757-L960 HydrophobicContact CB-CD1 3.82Å; C757-L960 HydrophobicContact CB-CD2 4.21Å; D758-L960 HydrophobicContact CB-CD1 3.96Å; M761-L960 HydrophobicContact CG-CD2 4.16Å; L772-L960 HydrophobicContact CD2-CD2 3.65Å; Q796-L960 PolarHBondContact NE2-O 3.16Å; L804-L960 HydrophobicContact CD1-CD2 4.48Å; L960-R962 PolarHBondContact O-N 3.33Å
961D85.3Confident88.3Confident71 Ų7134.9 Ų34.938%0.3818%0.176SC..THydrogen-bonded Turntrans-70-18.2174-56.2-51.7000112.3Q796 S959 I963Q796-D961 PolarHBondContact NE2-O 2.94Å; S959-D961 VanDerWaalsContact C-N 3.34Å; D961-I963 HydrophobicContact CB-CD1 4.09Å; D961-I963 HydrophobicContact CB-CG1 4.11Å; D961-I963 PolarHBondContact O-N 3.25Å
962R89.4Confident88Confident14 Ų1432.9 Ų32.95%0.05317%0.168CC..  trans57.223.9-178.7-59.6-179.5170.3149.5-26.3114.6Q796 F800 D802 Q956 P957 S959 L960Q796-R962 VanDerWaalsContact OE1-NH1 3.11Å; F800-R962 VanDerWaalsContact CD2-CD 3.41Å; F800-R962 HydrophobicContact CE2-CB 4.14Å; F800-R962 HydrophobicContact CE2-CG 4.4Å; D802-R962 PolarHBondContact O-NH1 2.86Å; D802-R962 IonicContact OD1-CZ 3.17Å; D802-R962 IonicContact OD1-NH1 2.67Å; D802-R962 PolarHBondContact OD1-NH1 2.74Å; D802-R962 IonicContact OD1-NH2 3.36Å; D802-R962 PolarHBondContact OD1-NH2 2.84Å; D802-R962 IonicContact OD2-NH2 2.73Å; D802-R962 PolarHBondContact OD2-NH2 3.47Å; Q956-R962 HydrophobicContact CB-CG 4.5Å; P957-R962 VanDerWaalsContact CG-C 3.47Å; S959-R962 WeakPolarHBondContact O-CG 3.49Å; S959-R962 PolarHBondContact O-N 2.9Å; S959-R962 PolarHBondContact OG-N 3.13Å; L960-R962 PolarHBondContact O-N 3.33Å
963I87.1Confident87.6Confident126 Ų12637.7 Ų37.765%0.64619%0.186SC*.PPolyproline II helixtrans-85125.6177.5-60172.7000109.2D961D961-I963 HydrophobicContact CB-CD1 4.09Å; D961-I963 HydrophobicContact CB-CG1 4.11Å; D961-I963 PolarHBondContact O-N 3.25Å
964W87.6Confident87.1Confident31 Ų3143.4 Ų43.412%0.11721%0.21CC..PPolyproline II helixtrans-81.2141.7171.3-68.994.7000110.8P841 A842 L955 P957 A968 V1017 F1021 S1023P841-W964 HydrophobicContact CB-CD2 4.15Å; P841-W964 HydrophobicContact CB-CE3 4.02Å; P841-W964 HydrophobicContact CB-CH2 3.95Å; P841-W964 HydrophobicContact CB-CZ2 4.12Å; P841-W964 HydrophobicContact CB-CZ3 3.91Å; P841-W964 HydrophobicContact CG-CD2 3.86Å; P841-W964 HydrophobicContact CG-CE3 3.59Å; P841-W964 HydrophobicContact CG-CG 4.38Å; P841-W964 HydrophobicContact CG-CH2 4.42Å; P841-W964 HydrophobicContact CG-CZ3 3.9Å; A842-W964 HydrophobicContact CB-CZ2 4.12Å; L955-W964 HydrophobicContact CD1-CH2 4.42Å; L955-W964 HydrophobicContact CD1-CZ2 4.47Å; L955-W964 HydrophobicContact CG-CH2 4.42Å; L955-W964 HydrophobicContact CG-CZ2 4.07Å; P957-W964 HydrophobicContact CB-CD2 3.93Å; P957-W964 HydrophobicContact CB-CE3 3.97Å; P957-W964 HydrophobicContact CB-CG 4.41Å; P957-W964 HydrophobicContact CB-CZ3 4.33Å; P957-W964 HydrophobicContact CG-CD2 4.08Å; P957-W964 HydrophobicContact CG-CG 4.15Å; W964-A968 HydrophobicContact CE3-CB 4.43Å; W964-V1017 HydrophobicContact CH2-CG1 3.67Å; W964-V1017 HydrophobicContact CZ3-CG1 4.07Å; W964-F1021 HydrophobicContact CZ3-CB 4.11Å; W964-S1023 VanDerWaalsContact CH2-CB 3.49Å
965P82.3Confident86.7Confident36 Ų3645.3 Ų45.323%0.23422%0.22CC..PPolyproline II helixtrans-71.8152.2175.930.4-34.4000112D967 A968 R969P965-D967 WeakPolarHBondContact CB-OD1 3.32Å; P965-D967 WeakPolarHBondContact CG-OD1 3.2Å; P965-D967 PolarHBondContact O-N 2.86Å; P965-A968 HydrophobicContact CG-CB 3.88Å; P965-A968 PolarHBondContact O-N 2.95Å; P965-R969 PolarHBondContact O-N 3.23Å
966D81.8Confident86.3Confident92 Ų9245.7 Ų45.749%0.49222%0.221SC..Hα-helixtrans-59.8-31.4179.8-70.7-64.1000112.8R969 N970D966-R969 IonicContact OD1-CZ 2.81Å; D966-R969 IonicContact OD1-NH1 2.69Å; D966-R969 PolarHBondContact OD1-NH1 3.01Å; D966-R969 IonicContact OD1-NH2 3.2Å; D966-R969 PolarHBondContact OD1-NH2 3.35Å; D966-N970 WeakPolarHBondContact O-CB 3.2Å; D966-N970 VanDerWaalsContact O-CG 3.23Å; D966-N970 PolarHBondContact O-N 3Å; D966-N970 PolarHBondContact O-ND2 2.81Å
967D78.1Confident86Confident18 Ų1846.6 Ų46.610%0.09623%0.225CC..Hα-helixtrans-66.8-39.7178.285.9-44.6000111.5L546 P547 N548 P965 N970 L971L546-D967 HydrophobicContact CD2-CB 4.35Å; P547-D967 WeakPolarHBondContact CD-OD1 3.33Å; P547-D967 WeakPolarHBondContact CD-OD2 3.08Å; P547-D967 WeakPolarHBondContact CG-OD1 3.47Å; P547-D967 WeakPolarHBondContact CG-OD2 3.42Å; N548-D967 PolarHBondContact N-OD2 3.37Å; N548-D967 PolarHBondContact ND2-OD2 3.05Å; P965-D967 WeakPolarHBondContact CB-OD1 3.32Å; P965-D967 WeakPolarHBondContact CG-OD1 3.2Å; P965-D967 PolarHBondContact O-N 2.86Å; D967-N970 PolarHBondContact O-N 3.25Å; D967-L971 WeakPolarHBondContact O-CB 3.3Å; D967-L971 PolarHBondContact O-N 3.35Å
968A85.6Confident85.3Confident0 Ų054.7 Ų54.70%026%0.255CS..Hα-helixtrans-65.2-45175.700000112.2P841 W964 P965 L971 V972 F1021P841-A968 HydrophobicContact CG-CB 3.94Å; W964-A968 HydrophobicContact CE3-CB 4.43Å; P965-A968 HydrophobicContact CG-CB 3.88Å; P965-A968 PolarHBondContact O-N 2.95Å; A968-L971 PolarHBondContact O-N 3.18Å; A968-V972 WeakPolarHBondContact O-CG2 3.43Å; A968-V972 PolarHBondContact O-N 3.02Å; A968-F1021 VanDerWaalsContact CA-CE1 3.41Å; A968-F1021 HydrophobicContact CB-CD1 3.57Å; A968-F1021 HydrophobicContact CB-CE1 3.38Å; A968-F1021 HydrophobicContact CB-CE2 4.38Å; A968-F1021 HydrophobicContact CB-CG 4.15Å; A968-F1021 HydrophobicContact CB-CZ 3.81Å
969R89.2Confident84.1Confident74 Ų7457.3 Ų57.328%0.27926%0.262SS..Hα-helixtrans-59.3-46.8172.1-175.7-170.170.3-129.6-12.1111.2C838 Y839 P965 D966 R973C838-R969 VanDerWaalsContact O-CD 3.23Å; C838-R969 WeakPolarHBondContact O-CD 3.31Å; C838-R969 WeakPolarHBondContact O-CG 3.24Å; Y839-R969 WeakPolarHBondContact O-CD 3.47Å; Y839-R969 WeakPolarHBondContact O-CG 3.46Å; P965-R969 PolarHBondContact O-N 3.23Å; D966-R969 IonicContact OD1-CZ 2.81Å; D966-R969 IonicContact OD1-NH1 2.69Å; D966-R969 PolarHBondContact OD1-NH1 3.01Å; D966-R969 IonicContact OD1-NH2 3.2Å; D966-R969 PolarHBondContact OD1-NH2 3.35Å; R969-R973 WeakPolarHBondContact O-CB 3.44Å; R969-R973 PolarHBondContact O-N 3.14Å
970N85.6Confident82.3Confident59 Ų5958 Ų5832%0.31627%0.265SS..Hα-helixtrans-66.2-38.6-179.1-80.3-43.9000112.7D966 D967 R973 K974D966-N970 WeakPolarHBondContact O-CB 3.2Å; D966-N970 VanDerWaalsContact O-CG 3.23Å; D966-N970 PolarHBondContact O-N 3Å; D966-N970 PolarHBondContact O-ND2 2.81Å; D967-N970 PolarHBondContact O-N 3.25Å; N970-R973 PolarHBondContact O-N 3.48Å; N970-R973 PolarHBondContact OD1-NH2 3.23Å; N970-K974 WeakPolarHBondContact O-CB 3.43Å; N970-K974 PolarHBondContact O-N 2.57Å
971L85.8Confident80.2Confident33 Ų3366.1 Ų66.117%0.17330%0.303CS..Hα-helixtrans-68.5-50.8176.8-166.6159000109.7D967 A968 R973 K974 D975 F1016 F1021D967-L971 WeakPolarHBondContact O-CB 3.3Å; D967-L971 PolarHBondContact O-N 3.35Å; A968-L971 PolarHBondContact O-N 3.18Å; L971-R973 VanDerWaalsContact C-N 3.28Å; L971-R973 PolarHBondContact O-N 3.26Å; L971-K974 PolarHBondContact O-N 3.08Å; L971-K974 VanDerWaalsContact O-N 3.09Å; L971-D975 HydrophobicContact CD2-CB 3.89Å; L971-D975 HydrophobicContact CG-CB 4.34Å; L971-D975 WeakPolarHBondContact O-CA 3.28Å; L971-D975 VanDerWaalsContact O-CB 3.28Å; L971-D975 WeakPolarHBondContact O-CB 3.5Å; L971-D975 PolarHBondContact O-N 2.94Å; L971-F1016 HydrophobicContact CD2-CE1 3.79Å; L971-F1016 HydrophobicContact CD2-CZ 3.52Å; L971-F1021 HydrophobicContact CB-CZ 4.08Å; L971-F1021 HydrophobicContact CD1-CE1 4.5Å; L971-F1021 HydrophobicContact CD1-CZ 4.3Å; L971-F1021 HydrophobicContact CD2-CZ 3.9Å; L971-F1021 HydrophobicContact CG-CZ 4.31Å
972V90Very high78.4Confident0 Ų070.8 Ų70.80%033%0.327CS..Hα-helixtrans-55.4-43.6173.7169.70000111.6P841 A968 K974 F976 F977 L1013 F1016 V1017 F1021P841-V972 HydrophobicContact CB-CG2 4.02Å; P841-V972 HydrophobicContact CG-CG2 3.95Å; A968-V972 WeakPolarHBondContact O-CG2 3.43Å; A968-V972 PolarHBondContact O-N 3.02Å; V972-K974 VanDerWaalsContact C-N 3.34Å; V972-K974 PolarHBondContact O-N 2.81Å; V972-F976 HydrophobicContact CG1-CB 4.43Å; V972-F976 WeakPolarHBondContact O-CB 3.42Å; V972-F976 PolarHBondContact O-N 2.91Å; V972-F977 HydrophobicContact CG1-CD2 3.94Å; V972-F977 HydrophobicContact CG1-CE2 3.52Å; V972-F977 HydrophobicContact CG1-CZ 4.28Å; V972-F977 PolarHBondContact O-N 3.5Å; V972-F977 VanDerWaalsContact O-N 3.14Å; V972-L1013 HydrophobicContact CG1-CD1 3.81Å; V972-L1013 HydrophobicContact CG2-CD1 4.48Å; V972-F1016 HydrophobicContact CG2-CD1 4.24Å; V972-F1016 HydrophobicContact CG2-CE1 3.89Å; V972-V1017 HydrophobicContact CG2-CG2 3.95Å; V972-F1021 HydrophobicContact CG2-CE2 3.93Å; V972-F1021 HydrophobicContact CG2-CZ 4.43Å
973R89.3Confident76.8Confident105 Ų10575.4 Ų75.440%0.39635%0.348SS..Hα-helixtrans-61.3-35.4176.8-175.1172.767146.1-2.1113.9C838 R969 N970 L971 R978C838-R973 HydrophobicContact CB-CB 4.44Å; R969-R973 WeakPolarHBondContact O-CB 3.44Å; R969-R973 PolarHBondContact O-N 3.14Å; N970-R973 PolarHBondContact O-N 3.48Å; N970-R973 PolarHBondContact OD1-NH2 3.23Å; L971-R973 VanDerWaalsContact C-N 3.28Å; L971-R973 PolarHBondContact O-N 3.26Å; R973-R978 WeakPolarHBondContact O-CD 3.29Å; R973-R978 WeakPolarHBondContact O-CG 3.44Å
974K85.1Confident75.4Confident145 Ų14578.8 Ų78.863%0.6335%0.353SS*.Hα-helixtrans-90.1-44.4-178.9-172.4-170.4172.7-166.20112.8N970 L971 V972 R978 R979N970-K974 WeakPolarHBondContact O-CB 3.43Å; N970-K974 PolarHBondContact O-N 2.57Å; L971-K974 PolarHBondContact O-N 3.08Å; L971-K974 VanDerWaalsContact O-N 3.09Å; V972-K974 VanDerWaalsContact C-N 3.34Å; V972-K974 PolarHBondContact O-N 2.81Å; K974-R978 CarbonylContact O-C 3.57Å; K974-R978 WeakPolarHBondContact O-CB 3.45Å; K974-R979 PolarHBondContact O-N 3.28Å
975D84.9Confident74.2Confident40 Ų4082.4 Ų82.421%0.21437%0.374CS..Hα-helixtrans-107.1-3.5-163.6-84.963.7000114L971 R979 F1016L971-D975 HydrophobicContact CD2-CB 3.89Å; L971-D975 HydrophobicContact CG-CB 4.34Å; L971-D975 WeakPolarHBondContact O-CA 3.28Å; L971-D975 VanDerWaalsContact O-CB 3.28Å; L971-D975 WeakPolarHBondContact O-CB 3.5Å; L971-D975 PolarHBondContact O-N 2.94Å; D975-R979 WeakPolarHBondContact O-CD 3.33Å; D975-R979 PolarHBondContact O-NE 3.26Å; D975-R979 PolarHBondContact O-NH1 2.96Å; D975-R979 IonicContact OD2-CZ 4Å; D975-R979 IonicContact OD2-NE 3.72Å; D975-R979 PolarHBondContact OD2-NE 3.27Å; D975-R979 IonicContact OD2-NH2 3.64Å; D975-R979 PolarHBondContact OD2-NH2 3.48Å; D975-F1016 HydrophobicContact CB-CE2 4.41Å; D975-F1016 HydrophobicContact CB-CZ 3.89Å; D975-F1016 WeakPolarHBondContact O-CE2 3.18Å
976F87.8Confident74.1Confident8 Ų881.5 Ų81.54%0.03537%0.366CS..THydrogen-bonded Turntrans-113.8-63.7161.1-168.6-90.6000110.3V972 R978 R986 F988 N1011 L1013 F1016V972-F976 HydrophobicContact CG1-CB 4.43Å; V972-F976 WeakPolarHBondContact O-CB 3.42Å; V972-F976 PolarHBondContact O-N 2.91Å; F976-R978 PolarHBondContact O-N 2.75Å; F976-R986 PolarHBondContact O-NH1 3.26Å; F976-F988 HydrophobicContact CD1-CE1 4.39Å; F976-F988 HydrophobicContact CE1-CD1 4.2Å; F976-F988 HydrophobicContact CE1-CE1 4Å; F976-N1011 HydrophobicContact CE2-CB 3.97Å; F976-N1011 HydrophobicContact CZ-CB 4.4Å; F976-N1011 WeakPolarHBondContact CZ-O 3.29Å; F976-L1013 HydrophobicContact CB-CD1 4.13Å; F976-L1013 HydrophobicContact CD1-CB 4.36Å; F976-L1013 HydrophobicContact CD1-CD1 3.85Å; F976-L1013 HydrophobicContact CD1-CG 4.46Å; F976-L1013 HydrophobicContact CD2-CB 4.49Å; F976-L1013 HydrophobicContact CD2-CD1 4Å; F976-L1013 HydrophobicContact CE1-CB 3.87Å; F976-L1013 HydrophobicContact CE1-CD1 4.25Å; F976-L1013 HydrophobicContact CE1-CD2 4.49Å; F976-L1013 HydrophobicContact CE1-CG 4.42Å; F976-L1013 HydrophobicContact CE2-CB 4.01Å; F976-L1013 HydrophobicContact CE2-CD1 4.39Å; F976-L1013 HydrophobicContact CG-CD1 3.71Å; F976-L1013 HydrophobicContact CZ-CB 3.69Å; F976-F1016 HydrophobicContact CB-CD1 4.26Å; F976-F1016 HydrophobicContact CB-CE1 4.17Å; F976-F1016 HydrophobicContact CB-CE2 4.39Å; F976-F1016 HydrophobicContact CB-CG 4.44Å; F976-F1016 HydrophobicContact CB-CZ 4.23Å; F976-F1016 HydrophobicContact CD2-CB 3.9Å; F976-F1016 HydrophobicContact CD2-CD1 4.34Å; F976-F1016 AromaticContact CD2-CD2 3.93Å; F976-F1016 HydrophobicContact CD2-CD2 3.93Å; F976-F1016 AromaticContact CD2-CG 3.81Å; F976-F1016 HydrophobicContact CD2-CG 3.81Å; F976-F1016 HydrophobicContact CE2-CB 4.26Å
977F86Confident74.3Confident19 Ų1980.6 Ų80.68%0.08336%0.359CS..THydrogen-bonded Turntrans-67.9-33.6-172.6-62.9-54.8000114.2V835 C838 L844 V972 R986 F988 L1013V835-F977 HydrophobicContact CB-CD1 4.48Å; V835-F977 HydrophobicContact CG2-CD1 3.97Å; V835-F977 HydrophobicContact CG2-CE1 3.76Å; V835-F977 HydrophobicContact CG2-CZ 4.29Å; C838-F977 HydrophobicContact CB-CD2 4.14Å; C838-F977 HydrophobicContact CB-CE2 4.03Å; L844-F977 HydrophobicContact CD1-CE1 4.31Å; L844-F977 HydrophobicContact CD1-CE2 4.4Å; L844-F977 HydrophobicContact CD1-CZ 3.65Å; L844-F977 HydrophobicContact CD2-CE2 3.67Å; L844-F977 HydrophobicContact CD2-CZ 3.75Å; L844-F977 HydrophobicContact CG-CZ 4.39Å; V972-F977 HydrophobicContact CG1-CD2 3.94Å; V972-F977 HydrophobicContact CG1-CE2 3.52Å; V972-F977 HydrophobicContact CG1-CZ 4.28Å; V972-F977 PolarHBondContact O-N 3.5Å; V972-F977 VanDerWaalsContact O-N 3.14Å; F977-R986 PolarHBondContact O-NH1 2.88Å; F977-F988 HydrophobicContact CB-CZ 4.45Å; F977-F988 HydrophobicContact CD1-CD1 4.2Å; F977-F988 AromaticContact CD1-CE1 3.67Å; F977-F988 HydrophobicContact CD1-CE1 3.67Å; F977-F988 HydrophobicContact CD1-CE2 4.16Å; F977-F988 AromaticContact CD1-CZ 3.66Å; F977-F988 HydrophobicContact CD1-CZ 3.66Å; F977-F988 HydrophobicContact CE1-CD1 4.29Å; F977-F988 HydrophobicContact CE1-CE1 4.18Å; F977-F988 HydrophobicContact CE1-CZ 4.5Å; F977-L1013 HydrophobicContact CE1-CD2 4.21Å; F977-L1013 HydrophobicContact CZ-CD2 3.64Å
978R75.1Confident75Confident178 Ų17880 Ų8067%0.67236%0.356SS*.THydrogen-bonded Turntrans-106.66.7-176.4-67.4174.9177-160.1-2.6115.7R973 K974 F976 T980R973-R978 WeakPolarHBondContact O-CD 3.29Å; R973-R978 WeakPolarHBondContact O-CG 3.44Å; K974-R978 CarbonylContact O-C 3.57Å; K974-R978 WeakPolarHBondContact O-CB 3.45Å; F976-R978 PolarHBondContact O-N 2.75Å; R978-T980 PolarHBondContact O-N 2.99Å
979R56.7Low75.5Confident120 Ų12082.9 Ų82.945%0.45337%0.369SS..  trans-70.2-27.3-157.7-151.5-175.6-132.4165.54.2116.4K974 D975K974-R979 PolarHBondContact O-N 3.28Å; D975-R979 WeakPolarHBondContact O-CD 3.33Å; D975-R979 PolarHBondContact O-NE 3.26Å; D975-R979 PolarHBondContact O-NH1 2.96Å; D975-R979 IonicContact OD2-CZ 4Å; D975-R979 IonicContact OD2-NE 3.72Å; D975-R979 PolarHBondContact OD2-NE 3.27Å; D975-R979 IonicContact OD2-NH2 3.64Å; D975-R979 PolarHBondContact OD2-NH2 3.48Å
980T47.5Very low75.9Confident46 Ų4679.4 Ų79.428%0.28236%0.356SS..SBendtrans-121.9129.8-167.9430000115.3R978 N982R978-T980 PolarHBondContact O-N 2.99Å; T980-N982 PolarHBondContact O-N 3.41Å
981H45Very low76.4Confident174 Ų17480 Ų8081%0.80636%0.361SS*.THydrogen-bonded Turntrans11.495.4165-58.1-82.6000119.2K983H981-K983 PolarHBondContact O-N 2.98Å
982N47.5Very low77Confident168 Ų16878.6 Ų78.690%0.89835%0.354SS*.THydrogen-bonded Turntrans49.81.5153.8-76.2-7.6000120.2T980 R984T980-N982 PolarHBondContact O-N 3.41Å; N982-R984 VanDerWaalsContact C-N 3.33Å; N982-R984 PolarHBondContact O-N 3.06Å
983K55Low77.2Confident112 Ų11281.8 Ų81.849%0.48737%0.369SS..  trans-65.988.1174.1-71.3177.7-177.5175.30109.1H981 N985 R986 E1009H981-K983 PolarHBondContact O-N 2.98Å; K983-N985 PolarHBondContact O-N 3.24Å; K983-N985 VanDerWaalsContact O-N 3.08Å; K983-R986 HydrophobicContact CB-CG 3.86Å; K983-R986 PolarHBondContact O-N 2.98Å; K983-E1009 IonicContact NZ-OE1 3.85Å; K983-E1009 PolarHBondContact NZ-OE1 2.79Å
984R57.5Low77.4Confident197 Ų19777.6 Ų77.674%0.74336%0.356SS*.THydrogen-bonded Turntrans-55.7-28.2-179.5-69.6-178.6175.6176.2-2.2112.2R857 N982R857-R984 VanDerWaalsContact CZ-O 3.27Å; R857-R984 PolarHBondContact NH2-O 2.8Å; N982-R984 VanDerWaalsContact C-N 3.33Å; N982-R984 PolarHBondContact O-N 3.06Å
985N62.8Low77.8Confident107 Ų10771.4 Ų71.457%0.57233%0.332SS*.THydrogen-bonded Turntrans-116.268.8177.8-61.6-8.6000111.2R857 K983R857-N985 PolarHBondContact NE-OD1 2.91Å; R857-N985 VanDerWaalsContact NE-OD1 3.08Å; R857-N985 PolarHBondContact NH2-OD1 2.77Å; K983-N985 PolarHBondContact O-N 3.24Å; K983-N985 VanDerWaalsContact O-N 3.08Å
986R78.9Confident78.2Confident17 Ų1770.2 Ų70.26%0.06433%0.325CS..  trans-72134.5162.4-62.1-174.380.6-149.57109L834 F976 F977 K983 F988 D1007 E1009L834-R986 WeakPolarHBondContact CD1-O 3.47Å; F976-R986 PolarHBondContact O-NH1 3.26Å; F977-R986 PolarHBondContact O-NH1 2.88Å; K983-R986 HydrophobicContact CB-CG 3.86Å; K983-R986 PolarHBondContact O-N 2.98Å; R986-F988 HydrophobicContact CB-CE2 4.14Å; R986-F988 HydrophobicContact CB-CZ 4.18Å; R986-D1007 IonicContact CZ-OD2 3.04Å; R986-D1007 VanDerWaalsContact NH2-CG 3.34Å; R986-D1007 IonicContact NH2-OD2 2.71Å; R986-D1007 PolarHBondContact NH2-OD2 2.9Å; R986-E1009 IonicContact NH2-OE2 2.66Å
987Q86.2Confident78.2Confident72 Ų7272.3 Ų72.334%0.33634%0.335SS..  trans-102.5163.3168.3-71.3-173.4-8.400110.1D1008Q987-D1008 WeakPolarHBondContact CB-OD1 3.47Å; Q987-D1008 PolarHBondContact N-OD2 3.37Å
988F93.8Very high78.3Confident7 Ų774.8 Ų74.83%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-134.6150.1175.8-59.5-87.1000108.1R832 F833 V835 F976 F977 R986 I1005 Y1006 D1007R832-F988 WeakPolarHBondContact CA-O 3.31Å; F833-F988 WeakPolarHBondContact CD1-O 3.36Å; F833-F988 HydrophobicContact CD2-CB 4.07Å; F833-F988 HydrophobicContact CE1-CB 4.43Å; F833-F988 HydrophobicContact CE2-CB 3.65Å; F833-F988 HydrophobicContact CZ-CB 3.86Å; F833-F988 PolarHBondContact N-O 3.41Å; F833-F988 PolarHBondContact O-N 3.07Å; V835-F988 HydrophobicContact CG2-CD2 3.83Å; V835-F988 HydrophobicContact CG2-CE2 4.23Å; V835-F988 HydrophobicContact CG2-CG 4.3Å; F976-F988 HydrophobicContact CD1-CE1 4.39Å; F976-F988 HydrophobicContact CE1-CD1 4.2Å; F976-F988 HydrophobicContact CE1-CE1 4Å; F977-F988 HydrophobicContact CB-CZ 4.45Å; F977-F988 HydrophobicContact CD1-CD1 4.2Å; F977-F988 AromaticContact CD1-CE1 3.67Å; F977-F988 HydrophobicContact CD1-CE1 3.67Å; F977-F988 HydrophobicContact CD1-CE2 4.16Å; F977-F988 AromaticContact CD1-CZ 3.66Å; F977-F988 HydrophobicContact CD1-CZ 3.66Å; F977-F988 HydrophobicContact CE1-CD1 4.29Å; F977-F988 HydrophobicContact CE1-CE1 4.18Å; F977-F988 HydrophobicContact CE1-CZ 4.5Å; R986-F988 HydrophobicContact CB-CE2 4.14Å; R986-F988 HydrophobicContact CB-CZ 4.18Å; F988-I1005 HydrophobicContact CB-CG2 4.14Å; F988-I1005 HydrophobicContact CD1-CG2 4.49Å; F988-Y1006 CarbonylContact C-O 3.53Å; F988-Y1006 VanDerWaalsContact CA-O 3.28Å; F988-Y1006 WeakPolarHBondContact CA-O 3.39Å; F988-D1007 HydrophobicContact CD1-CB 3.67Å; F988-D1007 HydrophobicContact CE1-CB 3.58Å
989H95.7Very high79.2Confident60 Ų6066.9 Ų66.928%0.27832%0.316SS..EExtended strand (participates in β ladder)trans-135.1149.2-179.563.7-84.3000112.1L830 I831 R832 Y1006 D1007L830-H989 HydrophobicContact CD1-CB 4.3Å; I831-H989 VanDerWaalsContact O-CA 3.22Å; I831-H989 WeakPolarHBondContact O-CA 3.4Å; I831-H989 WeakPolarHBondContact O-CB 3.41Å; R832-H989 HydrophobicContact CG-CB 4.42Å; H989-Y1006 PolarHBondContact N-O 3.45Å; H989-Y1006 PolarHBondContact O-N 2.87Å; H989-D1007 PolarHBondContact CE1-O 2.86Å
990A97.4Very high81.1Confident0 Ų061.2 Ų61.20%029%0.294CS..EExtended strand (participates in β ladder)trans-152.9159-178.900000110.7I831 F833 V1002 N1004 I1005I831-A990 HydrophobicContact CG1-CB 4.36Å; I831-A990 VanDerWaalsContact CG1-O 3.29Å; I831-A990 WeakPolarHBondContact CG1-O 3.42Å; I831-A990 PolarHBondContact N-O 2.91Å; I831-A990 PolarHBondContact O-N 3.41Å; I831-A990 VanDerWaalsContact O-N 3.16Å; F833-A990 HydrophobicContact CE1-CB 3.77Å; F833-A990 HydrophobicContact CZ-CB 4.34Å; A990-V1002 HydrophobicContact CB-CB 3.97Å; A990-V1002 HydrophobicContact CB-CG1 3.69Å; A990-V1002 HydrophobicContact CB-CG2 4.19Å; A990-N1004 VanDerWaalsContact CB-O 3.26Å; A990-N1004 WeakPolarHBondContact CB-O 3.49Å; A990-I1005 HydrophobicContact CB-CG1 4.4Å
991V97.1Very high83.4Confident71 Ų7159.1 Ų59.143%0.4328%0.281SS..EExtended strand (participates in β ladder)trans-103.6116.8173.7-177.20000109.1G829 L830 Q993G829-V991 WeakPolarHBondContact O-CA 3.41Å; L830-V991 HydrophobicContact CD1-CG2 4.07Å; V991-Q993 PolarHBondContact O-N 2.73Å
992V97Very high85.9Confident5 Ų550.9 Ų50.93%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-64.3130176.3-1790000109.4P826 G829 I831 I1000P826-V992 HydrophobicContact CB-CG2 4.35Å; P826-V992 HydrophobicContact CG-CG2 4.24Å; G829-V992 PolarHBondContact O-N 3.14Å; I831-V992 HydrophobicContact CD1-CG2 3.84Å; I831-V992 HydrophobicContact CG1-CG2 3.99Å; I831-V992 HydrophobicContact CG2-CG2 3.81Å; V992-I1000 HydrophobicContact CB-CG2 4.43Å; V992-I1000 HydrophobicContact CG1-CG2 4.01Å; V992-I1000 HydrophobicContact CG2-CG2 3.74Å
993Q95.1Very high88.2Confident66 Ų6650.7 Ų50.731%0.30823%0.23SC..EExtended strand (participates in β ladder)trans-96-45.5172.9-60.3-58.8-88.800111V991 F1001 R1003V991-Q993 PolarHBondContact O-N 2.73Å; Q993-F1001 PolarHBondContact N-O 2.87Å; Q993-R1003 HydrophobicContact CG-CG 3.7Å
994S93.2Very high90.2Very high17 Ų1745.8 Ų45.812%0.11921%0.209CC..EExtended strand (participates in β ladder)trans-154.8155179.754.10000109.2F1001 Q1030S994-F1001 PolarHBondContact O-N 3.43Å; S994-Q1030 PolarHBondContact OG-NE2 2.84Å; S994-Q1030 PolarHBondContact OG-OE1 3.45Å
995A94.2Very high92Very high15 Ų1536.5 Ų36.512%0.12417%0.174CC..EExtended strand (participates in β ladder)trans-128.4123.216800000107.4P821 T999P821-A995 HydrophobicContact CB-CB 3.87Å; P821-A995 HydrophobicContact CG-CB 3.9Å; P821-A995 WeakPolarHBondContact CG-O 3.21Å; A995-T999 WeakPolarHBondContact CA-O 3.35Å
996I92.3Very high93.6Very high16 Ų1635.4 Ų35.48%0.08216%0.162CC..EExtended strand (participates in β ladder)trans-133.5125.2-172.9-59.5172000106.5M814 R998 T999 F1001 L1033 M1036 V1037M814-I996 HydrophobicContact CE-CG2 3.56Å; M814-I996 HydrophobicContact SD-CG2 4.14Å; I996-R998 PolarHBondContact O-N 3.21Å; I996-T999 PolarHBondContact N-O 3.08Å; I996-T999 WeakPolarHBondContact O-CB 3.46Å; I996-T999 PolarHBondContact O-N 3.31Å; I996-T999 VanDerWaalsContact O-N 3.13Å; I996-F1001 HydrophobicContact CB-CE2 4.19Å; I996-F1001 HydrophobicContact CD1-CE2 4.4Å; I996-L1033 HydrophobicContact CD1-CB 3.9Å; I996-M1036 HydrophobicContact CG2-CE 4.19Å; I996-V1037 HydrophobicContact CD1-CG2 4.18Å; I996-V1037 HydrophobicContact CG1-CG2 4.45Å; I996-V1037 HydrophobicContact CG2-CG2 3.82Å
997H87.5Confident94.1Very high52 Ų5234.7 Ų34.724%0.24116%0.16CC..THydrogen-bonded Turntrans49.7-136.7-168.6-162.759.5000111.9M814 E818 V819 P821 P822 T999M814-H997 HydrophobicContact CE-CB 3.79Å; E818-H997 WeakPolarHBondContact CA-ND1 3.12Å; E818-H997 WeakPolarHBondContact O-CA 3.49Å; E818-H997 WeakPolarHBondContact O-CB 3.4Å; E818-H997 PolarHBondContact O-N 2.9Å; E818-H997 PolarHBondContact O-ND1 2.84Å; V819-H997 PolarHBondContact O-N 3.45Å; P821-H997 VanDerWaalsContact CA-O 3.26Å; P821-H997 WeakPolarHBondContact CA-O 3.41Å; P821-H997 WeakPolarHBondContact CB-O 3.44Å; P822-H997 WeakPolarHBondContact CD-O 3.44Å; H997-T999 PolarHBondContact O-N 2.87Å
998R88.1Confident94Very high71 Ų7135.2 Ų35.227%0.26817%0.165SC..THydrogen-bonded Turntrans-82.915.8179.3-60.7172-174.1-166.61.2113.4Y825 I996Y825-R998 VanDerWaalsContact CE1-C 3.46Å; Y825-R998 VanDerWaalsContact CE1-O 3.24Å; Y825-R998 WeakPolarHBondContact CE1-O 3.38Å; Y825-R998 PolarHBondContact OH-O 3.23Å; I996-R998 PolarHBondContact O-N 3.21Å
999T94.4Very high93.5Very high12 Ų1239.2 Ų39.27%0.07418%0.183CC..EExtended strand (participates in β ladder)trans-120.4132.3-171.6-47.20000112.4D949 R951 A995 I996 H997 F1001D949-T999 CarbonylContact O-C 3.53Å; D949-T999 WeakPolarHBondContact O-CA 3.39Å; R951-T999 HydrophobicContact CB-CG2 4.42Å; R951-T999 HydrophobicContact CG-CG2 3.84Å; A995-T999 WeakPolarHBondContact CA-O 3.35Å; I996-T999 PolarHBondContact N-O 3.08Å; I996-T999 WeakPolarHBondContact O-CB 3.46Å; I996-T999 PolarHBondContact O-N 3.31Å; I996-T999 VanDerWaalsContact O-N 3.13Å; H997-T999 PolarHBondContact O-N 2.87Å; T999-F1001 HydrophobicContact CG2-CD2 4.24Å; T999-F1001 HydrophobicContact CG2-CE1 4.23Å; T999-F1001 HydrophobicContact CG2-CE2 3.66Å; T999-F1001 HydrophobicContact CG2-CZ 3.66Å
1000I96.7Very high93.1Very high0 Ų038.8 Ų38.80%020%0.196CC..EExtended strand (participates in β ladder)trans-103.3125174.1-58.7172.6000109.1Y825 P826 I831 M948 D949 L950 R951 V992 V1002Y825-I1000 HydrophobicContact CD1-CD1 3.9Å; Y825-I1000 HydrophobicContact CD1-CG1 3.61Å; Y825-I1000 HydrophobicContact CE1-CD1 4.26Å; Y825-I1000 HydrophobicContact CE1-CG1 3.99Å; P826-I1000 HydrophobicContact CG-CD1 3.95Å; I831-I1000 HydrophobicContact CD1-CG2 4.39Å; M948-I1000 HydrophobicContact CB-CD1 4.08Å; M948-I1000 HydrophobicContact CG-CD1 4.47Å; M948-I1000 HydrophobicContact SD-CD1 3.64Å; D949-I1000 PolarHBondContact O-N 3.32Å; L950-I1000 WeakPolarHBondContact CA-O 3.36Å; L950-I1000 HydrophobicContact CD1-CG2 4.38Å; R951-I1000 PolarHBondContact N-O 3.15Å; V992-I1000 HydrophobicContact CB-CG2 4.43Å; V992-I1000 HydrophobicContact CG1-CG2 4.01Å; V992-I1000 HydrophobicContact CG2-CG2 3.74Å; I1000-V1002 HydrophobicContact CG2-CG1 4.29Å
1001F96.9Very high92.7Very high3 Ų342.6 Ų42.61%0.01322%0.216CC..EExtended strand (participates in β ladder)trans-102.8130177.6-66.8-87.5000111.3R951 L953 Q993 S994 I996 T999 L1033R951-F1001 HydrophobicContact CB-CD1 4.27Å; R951-F1001 HydrophobicContact CB-CE1 4.3Å; L953-F1001 HydrophobicContact CD1-CB 4.43Å; L953-F1001 HydrophobicContact CD1-CD1 4.08Å; L953-F1001 HydrophobicContact CD1-CG 4.49Å; Q993-F1001 PolarHBondContact N-O 2.87Å; S994-F1001 PolarHBondContact O-N 3.43Å; I996-F1001 HydrophobicContact CB-CE2 4.19Å; I996-F1001 HydrophobicContact CD1-CE2 4.4Å; T999-F1001 HydrophobicContact CG2-CD2 4.24Å; T999-F1001 HydrophobicContact CG2-CE1 4.23Å; T999-F1001 HydrophobicContact CG2-CE2 3.66Å; T999-F1001 HydrophobicContact CG2-CZ 3.66Å; F1001-L1033 HydrophobicContact CD1-CD1 4Å; F1001-L1033 HydrophobicContact CD2-CD1 4.46Å; F1001-L1033 HydrophobicContact CE1-CD1 3.68Å; F1001-L1033 HydrophobicContact CE2-CD1 4.19Å; F1001-L1033 HydrophobicContact CG-CD1 4.38Å; F1001-L1033 HydrophobicContact CZ-CD1 3.78Å; F1001-L1033 HydrophobicContact CZ-CD2 4.14Å
1002V97.4Very high92.5Very high0 Ų041.3 Ų41.30%021%0.207CC..EExtended strand (participates in β ladder)trans-127.6151.9178.5-580000110.2L950 R951 I952 L953 A990 I1000 N1004 I1005L950-V1002 HydrophobicContact CD1-CG1 4.19Å; L950-V1002 HydrophobicContact CD2-CG2 3.85Å; L950-V1002 HydrophobicContact CG-CG1 4.31Å; L950-V1002 HydrophobicContact CG-CG2 4.44Å; R951-V1002 PolarHBondContact O-N 3.17Å; I952-V1002 WeakPolarHBondContact CA-O 3.36Å; I952-V1002 HydrophobicContact CG1-CG2 4.4Å; L953-V1002 WeakPolarHBondContact CB-O 3.41Å; L953-V1002 PolarHBondContact N-O 3.32Å; A990-V1002 HydrophobicContact CB-CB 3.97Å; A990-V1002 HydrophobicContact CB-CG1 3.69Å; A990-V1002 HydrophobicContact CB-CG2 4.19Å; I1000-V1002 HydrophobicContact CG2-CG1 4.29Å; V1002-N1004 VanDerWaalsContact C-N 3.34Å; V1002-N1004 WeakPolarHBondContact CG2-O 3.11Å; V1002-I1005 HydrophobicContact CG2-CG1 3.98Å
1003R94.9Very high92.4Very high165 Ų16541.1 Ų41.162%0.62321%0.205SC*.SBendtrans-71.1-32.5171.8-66.9-166.7-171-152.7-1.5112.7Q993Q993-R1003 HydrophobicContact CG-CG 3.7Å
1004N96.1Very high92.3Very high9 Ų939 Ų395%0.04820%0.196CC..  trans-162168.2-172.8-155.5-4.9000111.2A990 V1002 Y1006 D1012 L1014A990-N1004 VanDerWaalsContact CB-O 3.26Å; A990-N1004 WeakPolarHBondContact CB-O 3.49Å; V1002-N1004 VanDerWaalsContact C-N 3.34Å; V1002-N1004 WeakPolarHBondContact CG2-O 3.11Å; N1004-Y1006 HydrophobicContact CB-CE2 4Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.5Å; N1004-Y1006 PolarHBondContact ND2-OH 2.96Å; N1004-D1012 PolarHBondContact ND2-OD1 2.91Å; N1004-D1012 PolarHBondContact ND2-OD2 2.84Å; N1004-D1012 PolarHBondContact OD1-OD1 3.22Å; N1004-D1012 VanDerWaalsContact OD1-OD1 3.14Å; N1004-L1014 HydrophobicContact CB-CB 4.48Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.12Å; N1004-L1014 PolarHBondContact OD1-N 2.88Å
1005I96.6Very high92.3Very high1 Ų140.6 Ų40.61%0.00521%0.207CC..  trans-129.7132.3174.2-59.9176.8000108.4F833 L844 L950 I952 F988 A990 V1002 L1013F833-I1005 HydrophobicContact CE2-CG2 4.32Å; F833-I1005 HydrophobicContact CZ-CD1 4.19Å; F833-I1005 HydrophobicContact CZ-CG1 4.18Å; F833-I1005 HydrophobicContact CZ-CG2 3.73Å; L844-I1005 HydrophobicContact CD1-CD1 3.45Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.45Å; L950-I1005 HydrophobicContact CD2-CD1 3.38Å; L950-I1005 HydrophobicContact CD2-CG1 4.03Å; I952-I1005 HydrophobicContact CD1-CD1 4.33Å; I952-I1005 HydrophobicContact CD1-CG1 4.39Å; I952-I1005 HydrophobicContact CG1-CD1 4.21Å; I952-I1005 HydrophobicContact CG1-CG1 4.31Å; F988-I1005 HydrophobicContact CB-CG2 4.14Å; F988-I1005 HydrophobicContact CD1-CG2 4.49Å; A990-I1005 HydrophobicContact CB-CG1 4.4Å; V1002-I1005 HydrophobicContact CG2-CG1 3.98Å; I1005-L1013 HydrophobicContact CB-CB 4.15Å; I1005-L1013 HydrophobicContact CB-CD2 4.15Å; I1005-L1013 HydrophobicContact CD1-CD2 4.1Å; I1005-L1013 WeakPolarHBondContact O-CB 3.46Å; I1005-L1013 PolarHBondContact O-N 3.39Å
1006Y95.3Very high92.1Very high84 Ų8440.5 Ų40.533%0.32920%0.204SC..EExtended strand (participates in β ladder)trans-118151.9177.6-53.4-79.2000110.8F988 H989 N1004 N1011 D1012F988-Y1006 CarbonylContact C-O 3.53Å; F988-Y1006 VanDerWaalsContact CA-O 3.28Å; F988-Y1006 WeakPolarHBondContact CA-O 3.39Å; H989-Y1006 PolarHBondContact N-O 3.45Å; H989-Y1006 PolarHBondContact O-N 2.87Å; N1004-Y1006 HydrophobicContact CB-CE2 4Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.5Å; N1004-Y1006 PolarHBondContact ND2-OH 2.96Å; Y1006-N1011 VanDerWaalsContact CA-O 3.31Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.46Å; Y1006-D1012 HydrophobicContact CD1-CB 4.21Å; Y1006-D1012 HydrophobicContact CE1-CB 4.05Å
1007D89.8Confident92.1Very high3 Ų339.7 Ų39.72%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-98.1173.9170.571.716.3000112.7R986 F988 H989 E1009 G1010 N1011R986-D1007 IonicContact CZ-OD2 3.04Å; R986-D1007 VanDerWaalsContact NH2-CG 3.34Å; R986-D1007 IonicContact NH2-OD2 2.71Å; R986-D1007 PolarHBondContact NH2-OD2 2.9Å; F988-D1007 HydrophobicContact CD1-CB 3.67Å; F988-D1007 HydrophobicContact CE1-CB 3.58Å; H989-D1007 PolarHBondContact CE1-O 2.86Å; D1007-E1009 PolarHBondContact O-N 2.87Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.28Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.38Å; D1007-E1009 PolarHBondContact OD1-N 2.97Å; D1007-G1010 PolarHBondContact O-N 2.89Å; D1007-G1010 PolarHBondContact OD1-N 2.94Å; D1007-G1010 VanDerWaalsContact OD1-N 3.17Å; D1007-N1011 PolarHBondContact N-O 2.82Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.48Å; D1007-N1011 PolarHBondContact OD1-N 2.82Å; D1007-N1011 PolarHBondContact OD1-ND2 3.44Å; D1007-N1011 PolarHBondContact OD2-ND2 2.9Å; D1007-N1011 VanDerWaalsContact OD2-ND2 3.08Å
1008D84.3Confident92.2Very high82 Ų8240.8 Ų40.844%0.43921%0.207SC..THydrogen-bonded Turntrans-59-13.2178.8-55.2-43.3000114.4Q987Q987-D1008 WeakPolarHBondContact CB-OD1 3.47Å; Q987-D1008 PolarHBondContact N-OD2 3.37Å
1009E84.3Confident92Very high91 Ų9143.5 Ų43.543%0.42523%0.227SC..THydrogen-bonded Turntrans-103.53.1179.4-74.5154.6-155.900111.6K983 R986 D1007 N1011K983-E1009 IonicContact NZ-OE1 3.85Å; K983-E1009 PolarHBondContact NZ-OE1 2.79Å; R986-E1009 IonicContact NH2-OE2 2.66Å; D1007-E1009 PolarHBondContact O-N 2.87Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.28Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.38Å; D1007-E1009 PolarHBondContact OD1-N 2.97Å; E1009-N1011 VanDerWaalsContact C-N 3.34Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.34Å
1010G85.6Confident91.4Very high52 Ų5248.2 Ų48.254%0.53624%0.243SC..  trans80.19.1179.600000114.5D1007D1007-G1010 PolarHBondContact O-N 2.89Å; D1007-G1010 PolarHBondContact OD1-N 2.94Å; D1007-G1010 VanDerWaalsContact OD1-N 3.17Å
1011N89.9Confident90.8Very high79 Ų7949.3 Ų49.342%0.42225%0.248SC..  trans-70.7137.5178.8-57.7-84.4000110.7F976 Y1006 D1007 E1009F976-N1011 HydrophobicContact CE2-CB 3.97Å; F976-N1011 HydrophobicContact CZ-CB 4.4Å; F976-N1011 WeakPolarHBondContact CZ-O 3.29Å; Y1006-N1011 VanDerWaalsContact CA-O 3.31Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.46Å; D1007-N1011 PolarHBondContact N-O 2.82Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.48Å; D1007-N1011 PolarHBondContact OD1-N 2.82Å; D1007-N1011 PolarHBondContact OD1-ND2 3.44Å; D1007-N1011 PolarHBondContact OD2-ND2 2.9Å; D1007-N1011 VanDerWaalsContact OD2-ND2 3.08Å; E1009-N1011 VanDerWaalsContact C-N 3.34Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.34Å
1012D92.9Very high90Very high44 Ų4454 Ų5424%0.23527%0.265CS..BIsolated β-bridgetrans-95.4122.5-175.4172.5-15000111.3N1004 Y1006 L1014 S1015 F1016N1004-D1012 PolarHBondContact ND2-OD1 2.91Å; N1004-D1012 PolarHBondContact ND2-OD2 2.84Å; N1004-D1012 PolarHBondContact OD1-OD1 3.22Å; N1004-D1012 VanDerWaalsContact OD1-OD1 3.14Å; Y1006-D1012 HydrophobicContact CD1-CB 4.21Å; Y1006-D1012 HydrophobicContact CE1-CB 4.05Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.43Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.42Å; D1012-L1014 PolarHBondContact OD1-N 2.83Å; D1012-S1015 VanDerWaalsContact CG-OG 3.25Å; D1012-S1015 PolarHBondContact OD1-N 3Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.24Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.33Å; D1012-S1015 PolarHBondContact OD2-OG 3.46Å; D1012-F1016 WeakPolarHBondContact O-CB 3.44Å; D1012-F1016 PolarHBondContact O-N 3.11Å
1013L93.9Very high89.5Confident1 Ų154.7 Ų54.71%0.00527%0.27CS..Hα-helixtrans-74.6-41.3178.2-179.156.1000113.5I952 V972 F976 F977 I1005 F1016 V1017I952-L1013 HydrophobicContact CD1-CD2 4.02Å; I952-L1013 HydrophobicContact CD1-CG 4.16Å; V972-L1013 HydrophobicContact CG1-CD1 3.81Å; V972-L1013 HydrophobicContact CG2-CD1 4.48Å; F976-L1013 HydrophobicContact CB-CD1 4.13Å; F976-L1013 HydrophobicContact CD1-CB 4.36Å; F976-L1013 HydrophobicContact CD1-CD1 3.85Å; F976-L1013 HydrophobicContact CD1-CG 4.46Å; F976-L1013 HydrophobicContact CD2-CB 4.49Å; F976-L1013 HydrophobicContact CD2-CD1 4Å; F976-L1013 HydrophobicContact CE1-CB 3.87Å; F976-L1013 HydrophobicContact CE1-CD1 4.25Å; F976-L1013 HydrophobicContact CE1-CD2 4.49Å; F976-L1013 HydrophobicContact CE1-CG 4.42Å; F976-L1013 HydrophobicContact CE2-CB 4.01Å; F976-L1013 HydrophobicContact CE2-CD1 4.39Å; F976-L1013 HydrophobicContact CG-CD1 3.71Å; F976-L1013 HydrophobicContact CZ-CB 3.69Å; F977-L1013 HydrophobicContact CE1-CD2 4.21Å; F977-L1013 HydrophobicContact CZ-CD2 3.64Å; I1005-L1013 HydrophobicContact CB-CB 4.15Å; I1005-L1013 HydrophobicContact CB-CD2 4.15Å; I1005-L1013 HydrophobicContact CD1-CD2 4.1Å; I1005-L1013 WeakPolarHBondContact O-CB 3.46Å; I1005-L1013 PolarHBondContact O-N 3.39Å; L1013-F1016 HydrophobicContact CD1-CD1 4.18Å; L1013-F1016 WeakPolarHBondContact O-CB 3.34Å; L1013-F1016 PolarHBondContact O-N 2.67Å; L1013-F1016 VanDerWaalsContact O-N 3.16Å; L1013-V1017 HydrophobicContact CD1-CG2 3.88Å; L1013-V1017 HydrophobicContact CG-CG2 4.37Å; L1013-V1017 WeakPolarHBondContact O-CB 3.19Å; L1013-V1017 VanDerWaalsContact O-CG2 3.28Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.41Å; L1013-V1017 PolarHBondContact O-N 3.44Å
1014L93.9Very high89.3Confident21 Ų2149.6 Ų49.611%0.1125%0.254CS..Hα-helixtrans-59.4-49.1177.6176.765.1000110.6I952 L955 N1004 D1012 F1016 V1017 I1018I952-L1014 HydrophobicContact CG2-CD1 4.24Å; L955-L1014 HydrophobicContact CD1-CD1 3.88Å; L955-L1014 HydrophobicContact CD2-CD1 3.89Å; L955-L1014 HydrophobicContact CG-CD1 4.3Å; N1004-L1014 HydrophobicContact CB-CB 4.48Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.12Å; N1004-L1014 PolarHBondContact OD1-N 2.88Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.43Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.42Å; D1012-L1014 PolarHBondContact OD1-N 2.83Å; L1014-F1016 VanDerWaalsContact C-N 3.34Å; L1014-F1016 PolarHBondContact O-N 2.88Å; L1014-V1017 PolarHBondContact O-N 2.83Å; L1014-I1018 HydrophobicContact CD1-CD1 3.66Å; L1014-I1018 HydrophobicContact CD1-CG1 4.24Å; L1014-I1018 HydrophobicContact CG-CD1 3.9Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.44Å; L1014-I1018 PolarHBondContact O-N 3.38Å
1015S92.5Very high89.1Confident51 Ų5152.4 Ų52.436%0.35727%0.266SS..Hα-helixtrans-65.8-34.5173.5-660000112.2D1012 V1017 N1019D1012-S1015 VanDerWaalsContact CG-OG 3.25Å; D1012-S1015 PolarHBondContact OD1-N 3Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.24Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.33Å; D1012-S1015 PolarHBondContact OD2-OG 3.46Å; S1015-V1017 VanDerWaalsContact C-N 3.28Å; S1015-V1017 PolarHBondContact O-N 2.77Å; S1015-N1019 WeakPolarHBondContact O-CB 3.34Å; S1015-N1019 PolarHBondContact O-N 3.44Å; S1015-N1019 PolarHBondContact O-ND2 3.17Å
1016F91.3Very high88.8Confident13 Ų1353 Ų536%0.05727%0.27CS..Hα-helixtrans-60.9-39.4173.3175.1-84.4000112.1L971 V972 D975 F976 D1012 L1013 L1014 R1020 F1021L971-F1016 HydrophobicContact CD2-CE1 3.79Å; L971-F1016 HydrophobicContact CD2-CZ 3.52Å; V972-F1016 HydrophobicContact CG2-CD1 4.24Å; V972-F1016 HydrophobicContact CG2-CE1 3.89Å; D975-F1016 HydrophobicContact CB-CE2 4.41Å; D975-F1016 HydrophobicContact CB-CZ 3.89Å; D975-F1016 WeakPolarHBondContact O-CE2 3.18Å; F976-F1016 HydrophobicContact CB-CD1 4.26Å; F976-F1016 HydrophobicContact CB-CE1 4.17Å; F976-F1016 HydrophobicContact CB-CE2 4.39Å; F976-F1016 HydrophobicContact CB-CG 4.44Å; F976-F1016 HydrophobicContact CB-CZ 4.23Å; F976-F1016 HydrophobicContact CD2-CB 3.9Å; F976-F1016 HydrophobicContact CD2-CD1 4.34Å; F976-F1016 AromaticContact CD2-CD2 3.93Å; F976-F1016 HydrophobicContact CD2-CD2 3.93Å; F976-F1016 AromaticContact CD2-CG 3.81Å; F976-F1016 HydrophobicContact CD2-CG 3.81Å; F976-F1016 HydrophobicContact CE2-CB 4.26Å; D1012-F1016 WeakPolarHBondContact O-CB 3.44Å; D1012-F1016 PolarHBondContact O-N 3.11Å; L1013-F1016 HydrophobicContact CD1-CD1 4.18Å; L1013-F1016 WeakPolarHBondContact O-CB 3.34Å; L1013-F1016 PolarHBondContact O-N 2.67Å; L1013-F1016 VanDerWaalsContact O-N 3.16Å; L1014-F1016 VanDerWaalsContact C-N 3.34Å; L1014-F1016 PolarHBondContact O-N 2.88Å; F1016-R1020 VanDerWaalsContact CD2-NH1 3.28Å; F1016-R1020 WeakPolarHBondContact O-CD 3.46Å; F1016-R1020 WeakPolarHBondContact O-CG 3.37Å; F1016-R1020 PolarHBondContact O-NH1 3.25Å; F1016-F1021 HydrophobicContact CE1-CE2 4.5Å
1017V91.4Very high88.6Confident0 Ų057.7 Ų57.70%030%0.295CS..Hα-helixtrans-76.8-52.9-177.7169.20000111.6P841 L955 W964 V972 L1013 L1014 S1015 N1019 R1020 F1021P841-V1017 HydrophobicContact CB-CG1 3.98Å; P841-V1017 HydrophobicContact CB-CG2 3.8Å; L955-V1017 HydrophobicContact CD1-CG1 4.4Å; L955-V1017 HydrophobicContact CD2-CG1 4.26Å; W964-V1017 HydrophobicContact CH2-CG1 3.67Å; W964-V1017 HydrophobicContact CZ3-CG1 4.07Å; V972-V1017 HydrophobicContact CG2-CG2 3.95Å; L1013-V1017 HydrophobicContact CD1-CG2 3.88Å; L1013-V1017 HydrophobicContact CG-CG2 4.37Å; L1013-V1017 WeakPolarHBondContact O-CB 3.19Å; L1013-V1017 VanDerWaalsContact O-CG2 3.28Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.41Å; L1013-V1017 PolarHBondContact O-N 3.44Å; L1014-V1017 PolarHBondContact O-N 2.83Å; S1015-V1017 VanDerWaalsContact C-N 3.28Å; S1015-V1017 PolarHBondContact O-N 2.77Å; V1017-N1019 VanDerWaalsContact C-N 3.27Å; V1017-N1019 PolarHBondContact O-N 2.79Å; V1017-R1020 PolarHBondContact O-N 2.71Å; V1017-F1021 HydrophobicContact CB-CD2 4.28Å; V1017-F1021 HydrophobicContact CG1-CD2 3.94Å; V1017-F1021 HydrophobicContact CG2-CD2 4.47Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.49Å; V1017-F1021 PolarHBondContact O-N 2.89Å
1018I88.9Confident88.7Confident75 Ų7560.8 Ų60.839%0.38532%0.316SS..Hα-helixtrans-59.4-38.7-177.7-69.4174000111.3L955 L1014 R1020L955-I1018 HydrophobicContact CD1-CG1 4.48Å; L1014-I1018 HydrophobicContact CD1-CD1 3.66Å; L1014-I1018 HydrophobicContact CD1-CG1 4.24Å; L1014-I1018 HydrophobicContact CG-CD1 3.9Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.44Å; L1014-I1018 PolarHBondContact O-N 3.38Å; I1018-R1020 PolarHBondContact O-N 2.85Å
1019N85.5Confident89.2Confident127 Ų12756.9 Ų56.968%0.67930%0.295SS*.THydrogen-bonded Turntrans-76.64.1178.1-70.1-65.7000114.5S1015 V1017S1015-N1019 WeakPolarHBondContact O-CB 3.34Å; S1015-N1019 PolarHBondContact O-N 3.44Å; S1015-N1019 PolarHBondContact O-ND2 3.17Å; V1017-N1019 VanDerWaalsContact C-N 3.27Å; V1017-N1019 PolarHBondContact O-N 2.79Å
1020R81.5Confident89.7Confident111 Ų11154.3 Ų54.342%0.41928%0.283SS..THydrogen-bonded Turntrans-134.3-24.6-176.4-71.1-178.3178.872.99115.1F1016 V1017 I1018F1016-R1020 VanDerWaalsContact CD2-NH1 3.28Å; F1016-R1020 WeakPolarHBondContact O-CD 3.46Å; F1016-R1020 WeakPolarHBondContact O-CG 3.37Å; F1016-R1020 PolarHBondContact O-NH1 3.25Å; V1017-R1020 PolarHBondContact O-N 2.71Å; I1018-R1020 PolarHBondContact O-N 2.85Å
1021F83.4Confident90.2Very high24 Ų2457.6 Ų57.611%0.10529%0.287CS..SBendtrans-128.6159.5-174.3-52.7-71.7000111.7W964 A968 L971 V972 F1016 V1017 S1023W964-F1021 HydrophobicContact CZ3-CB 4.11Å; A968-F1021 VanDerWaalsContact CA-CE1 3.41Å; A968-F1021 HydrophobicContact CB-CD1 3.57Å; A968-F1021 HydrophobicContact CB-CE1 3.38Å; A968-F1021 HydrophobicContact CB-CE2 4.38Å; A968-F1021 HydrophobicContact CB-CG 4.15Å; A968-F1021 HydrophobicContact CB-CZ 3.81Å; L971-F1021 HydrophobicContact CB-CZ 4.08Å; L971-F1021 HydrophobicContact CD1-CE1 4.5Å; L971-F1021 HydrophobicContact CD1-CZ 4.3Å; L971-F1021 HydrophobicContact CD2-CZ 3.9Å; L971-F1021 HydrophobicContact CG-CZ 4.31Å; V972-F1021 HydrophobicContact CG2-CE2 3.93Å; V972-F1021 HydrophobicContact CG2-CZ 4.43Å; F1016-F1021 HydrophobicContact CE1-CE2 4.5Å; V1017-F1021 HydrophobicContact CB-CD2 4.28Å; V1017-F1021 HydrophobicContact CG1-CD2 3.94Å; V1017-F1021 HydrophobicContact CG2-CD2 4.47Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.49Å; V1017-F1021 PolarHBondContact O-N 2.89Å; F1021-S1023 PolarHBondContact O-N 3.29Å; F1021-S1023 VanDerWaalsContact O-N 3.1Å
1022R79.9Confident90.4Very high100 Ų10056.5 Ų56.538%0.37728%0.279SS..  trans-76.693.9171.1-72.6-172-164.2-1435.1109.9H578 P957 E958H578-R1022 PolarHBondContact CD2-NH1 3.08Å; H578-R1022 PolarHBondContact CE1-NH2 3.33Å; H578-R1022 VanDerWaalsContact NE2-CZ 3.34Å; H578-R1022 PolarHBondContact NE2-NH1 2.95Å; H578-R1022 PolarHBondContact NE2-NH2 3.18Å; P957-R1022 WeakPolarHBondContact CA-O 3.44Å; E958-R1022 HydrophobicContact CB-CB 4.11Å; E958-R1022 HydrophobicContact CG-CB 4.03Å; E958-R1022 PolarHBondContact N-O 2.88Å; E958-R1022 VanDerWaalsContact OE2-CB 3.29Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.24Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.31Å; E958-R1022 WeakPolarHBondContact OE2-CG 3.46Å
1023S88.1Confident90.5Very high15 Ų1554.4 Ų54.411%0.10527%0.268CS..EExtended strand (participates in β ladder)trans-139.1142.9-176.259.40000112Q956 W964 F1021Q956-S1023 CarbonylContact O-C 3.54Å; Q956-S1023 VanDerWaalsContact O-CA 3.26Å; Q956-S1023 WeakPolarHBondContact O-CA 3.39Å; Q956-S1023 WeakPolarHBondContact O-CB 3.42Å; W964-S1023 VanDerWaalsContact CH2-CB 3.49Å; F1021-S1023 PolarHBondContact O-N 3.29Å; F1021-S1023 VanDerWaalsContact O-N 3.1Å
1024H89.5Confident90.5Very high59 Ų5957.2 Ų57.227%0.27328%0.283SS..EExtended strand (participates in β ladder)trans-115.7141.117516866.7000109.1R767 Q956R767-H1024 WeakPolarHBondContact CD-NE2 3.48Å; R767-H1024 VanDerWaalsContact CZ-CD2 3.46Å; R767-H1024 PolarHBondContact NE-CD2 3.12Å; R767-H1024 PolarHBondContact NE-NE2 2.84Å; R767-H1024 VanDerWaalsContact NE-NE2 3.14Å; Q956-H1024 PolarHBondContact N-O 3.48Å; Q956-H1024 PolarHBondContact O-N 3.41Å
1025Q91.8Very high90.5Very high67 Ų6758.6 Ų58.631%0.31330%0.297SS..EExtended strand (participates in β ladder)trans-103.3118170.2-171.6166.520.800108.8E1027Q1025-E1027 PolarHBondContact O-N 2.9Å
1026D91.7Very high90.5Very high14 Ų1456.5 Ų56.58%0.07528%0.282CS..  trans-9097.6179.9-170.5-30.7000108.9R767 G954 Q956 C1028 C1029 K1032R767-D1026 IonicContact NH2-OD2 2.93Å; G954-D1026 PolarHBondContact O-N 3.43Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.28Å; D1026-C1028 PolarHBondContact O-N 3.38Å; D1026-C1028 PolarHBondContact OD1-N 3.2Å; D1026-C1029 HydrophobicContact CB-CB 4.4Å; D1026-C1029 WeakPolarHBondContact O-CB 3.45Å; D1026-C1029 PolarHBondContact O-N 3.35Å; D1026-K1032 IonicContact OD1-NZ 2.74Å; D1026-K1032 PolarHBondContact OD1-NZ 2.95Å; D1026-K1032 IonicContact OD2-NZ 3.71Å; D1026-K1032 PolarHBondContact OD2-NZ 3.49Å
1027E91.1Very high90.5Very high183 Ų18357.6 Ų57.686%0.85529%0.289SS*.THydrogen-bonded Turntrans-60.7-28.7-177.2-60.6-177.9161.400112.3Q1025 C1029Q1025-E1027 PolarHBondContact O-N 2.9Å; E1027-C1029 PolarHBondContact O-N 2.93Å
1028C91.6Very high90.5Very high67 Ų6764.9 Ų64.945%0.45333%0.325SS..THydrogen-bonded Turntrans-77.2-1.3176.5-63.60000113.6D1026 Q1030 L1031 K1032D1026-C1028 PolarHBondContact O-N 3.38Å; D1026-C1028 PolarHBondContact OD1-N 3.2Å; C1028-Q1030 VanDerWaalsContact C-N 3.3Å; C1028-Q1030 PolarHBondContact O-N 3.38Å; C1028-L1031 PolarHBondContact O-N 2.94Å; C1028-L1031 VanDerWaalsContact O-N 3.14Å; C1028-K1032 WeakPolarHBondContact O-CG 3.22Å; C1028-K1032 PolarHBondContact O-N 2.71Å; C1028-K1032 VanDerWaalsContact O-N 3.1Å
1029C94.8Very high90.6Very high0 Ų064.1 Ų64.10%033%0.327CS..Hα-helixtrans-57.6-35.8-175.6-175.20000113.9L953 G954 D1026 E1027 L1033L953-C1029 HydrophobicContact CD1-CB 4.08Å; L953-C1029 HydrophobicContact CG-CB 4.33Å; G954-C1029 VanDerWaalsContact CA-CB 3.46Å; G954-C1029 PolarHBondContact N-SG 3.15Å; G954-C1029 VanDerWaalsContact N-SG 3.43Å; D1026-C1029 HydrophobicContact CB-CB 4.4Å; D1026-C1029 WeakPolarHBondContact O-CB 3.45Å; D1026-C1029 PolarHBondContact O-N 3.35Å; E1027-C1029 PolarHBondContact O-N 2.93Å; C1029-L1033 WeakPolarHBondContact O-CG 3.35Å; C1029-L1033 PolarHBondContact O-N 2.71Å; C1029-L1033 VanDerWaalsContact O-N 3.12Å
1030Q94.6Very high90.8Very high38 Ų3859.2 Ų59.218%0.17830%0.302CS..Hα-helixtrans-66.5-48176.2-170.560.364.400110.6L953 S994 C1028 K1032 L1033 D1034L953-Q1030 HydrophobicContact CD1-CB 4.43Å; L953-Q1030 HydrophobicContact CD2-CB 4.14Å; S994-Q1030 PolarHBondContact OG-NE2 2.84Å; S994-Q1030 PolarHBondContact OG-OE1 3.45Å; C1028-Q1030 VanDerWaalsContact C-N 3.3Å; C1028-Q1030 PolarHBondContact O-N 3.38Å; Q1030-K1032 PolarHBondContact O-N 3.31Å; Q1030-L1033 CarbonylContact O-C 3.56Å; Q1030-L1033 WeakPolarHBondContact O-CA 3.5Å; Q1030-L1033 WeakPolarHBondContact O-CB 3.29Å; Q1030-L1033 PolarHBondContact O-N 3.05Å; Q1030-D1034 PolarHBondContact NE2-OD1 3.36Å; Q1030-D1034 PolarHBondContact O-N 2.78Å
1031L94.9Very high91.1Very high121 Ų12158.2 Ų58.263%0.63430%0.301SS*.Hα-helixtrans-57.8-35178.6-59175000112.6C1028 A1035C1028-L1031 PolarHBondContact O-N 2.94Å; C1028-L1031 VanDerWaalsContact O-N 3.14Å; L1031-A1035 VanDerWaalsContact O-CB 3.28Å; L1031-A1035 WeakPolarHBondContact O-CB 3.21Å; L1031-A1035 PolarHBondContact O-N 2.82Å
1032K94.9Very high91.1Very high55 Ų5561.7 Ų61.724%0.23932%0.321CS..Hα-helixtrans-69.2-42.4174.4-64.4173.2-177.9-177.10112.4F800 D802 D1026 C1028 Q1030 A1035 M1036F800-K1032 WeakPolarHBondContact O-CB 3.5Å; F800-K1032 WeakPolarHBondContact O-CD 3.12Å; D802-K1032 HydrophobicContact CB-CD 4.38Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.3Å; D802-K1032 IonicContact OD2-NZ 3.62Å; D802-K1032 PolarHBondContact OD2-NZ 2.76Å; D1026-K1032 IonicContact OD1-NZ 2.74Å; D1026-K1032 PolarHBondContact OD1-NZ 2.95Å; D1026-K1032 IonicContact OD2-NZ 3.71Å; D1026-K1032 PolarHBondContact OD2-NZ 3.49Å; C1028-K1032 WeakPolarHBondContact O-CG 3.22Å; C1028-K1032 PolarHBondContact O-N 2.71Å; C1028-K1032 VanDerWaalsContact O-N 3.1Å; Q1030-K1032 PolarHBondContact O-N 3.31Å; K1032-A1035 PolarHBondContact O-N 2.94Å; K1032-M1036 WeakPolarHBondContact O-CB 3.35Å; K1032-M1036 PolarHBondContact O-N 2.72Å
1033L94.9Very high91Very high1 Ų158 Ų581%0.00531%0.309CS..Hα-helixtrans-66.8-38.6175.6-70.3166.7000111.5L953 I996 F1001 C1029 Q1030 M1036 V1037L953-L1033 HydrophobicContact CD1-CD1 3.84Å; I996-L1033 HydrophobicContact CD1-CB 3.9Å; F1001-L1033 HydrophobicContact CD1-CD1 4Å; F1001-L1033 HydrophobicContact CD2-CD1 4.46Å; F1001-L1033 HydrophobicContact CE1-CD1 3.68Å; F1001-L1033 HydrophobicContact CE2-CD1 4.19Å; F1001-L1033 HydrophobicContact CG-CD1 4.38Å; F1001-L1033 HydrophobicContact CZ-CD1 3.78Å; F1001-L1033 HydrophobicContact CZ-CD2 4.14Å; C1029-L1033 WeakPolarHBondContact O-CG 3.35Å; C1029-L1033 PolarHBondContact O-N 2.71Å; C1029-L1033 VanDerWaalsContact O-N 3.12Å; Q1030-L1033 CarbonylContact O-C 3.56Å; Q1030-L1033 WeakPolarHBondContact O-CA 3.5Å; Q1030-L1033 WeakPolarHBondContact O-CB 3.29Å; Q1030-L1033 PolarHBondContact O-N 3.05Å; L1033-M1036 HydrophobicContact CD2-CE 3.86Å; L1033-M1036 WeakPolarHBondContact O-CB 3.44Å; L1033-M1036 PolarHBondContact O-N 3.2Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.04Å; L1033-V1037 PolarHBondContact O-N 3.08Å
1034D94.1Very high90.1Very high59 Ų5961.2 Ų61.232%0.31633%0.33SS..Hα-helixtrans-65.6-42.6175-58-25.9000110.8Q1030 V1037 M1038Q1030-D1034 PolarHBondContact NE2-OD1 3.36Å; Q1030-D1034 PolarHBondContact O-N 2.78Å; D1034-V1037 PolarHBondContact O-N 3.01Å; D1034-M1038 HydrophobicContact CB-CE 4.49Å; D1034-M1038 WeakPolarHBondContact O-CG 3.29Å; D1034-M1038 PolarHBondContact O-N 2.87Å
1035A93.1Very high88.9Confident50 Ų5064.6 Ų64.641%0.41334%0.341SS..Hα-helixtrans-62.2-42.9173.500000112.3L1031 K1032 V1037 M1038 S1039L1031-A1035 VanDerWaalsContact O-CB 3.28Å; L1031-A1035 WeakPolarHBondContact O-CB 3.21Å; L1031-A1035 PolarHBondContact O-N 2.82Å; K1032-A1035 PolarHBondContact O-N 2.94Å; A1035-V1037 VanDerWaalsContact C-N 3.35Å; A1035-V1037 PolarHBondContact O-N 3.06Å; A1035-M1038 PolarHBondContact O-N 3.28Å; A1035-S1039 WeakPolarHBondContact O-CB 3.05Å; A1035-S1039 PolarHBondContact O-N 3.14Å; A1035-S1039 PolarHBondContact O-OG 3.16Å
1036M92.6Very high86.8Confident8 Ų870.9 Ų70.94%0.03937%0.373CS..Hα-helixtrans-57.2-47.2172.9176.7-165.165.600111M797 M814 I996 K1032 L1033 S1039 S1040M797-M1036 HydrophobicContact CG-CG 4.19Å; M797-M1036 HydrophobicContact CG-SD 3.58Å; M797-M1036 VanDerWaalsContact CG-SD 3.58Å; M797-M1036 HydrophobicContact SD-CB 4.16Å; M797-M1036 HydrophobicContact SD-CG 3.82Å; M797-M1036 HydrophobicContact SD-SD 3.7Å; M814-M1036 HydrophobicContact CB-CG 4.18Å; M814-M1036 HydrophobicContact SD-CE 3.8Å; M814-M1036 HydrophobicContact SD-SD 4.49Å; I996-M1036 HydrophobicContact CG2-CE 4.19Å; K1032-M1036 WeakPolarHBondContact O-CB 3.35Å; K1032-M1036 PolarHBondContact O-N 2.72Å; L1033-M1036 HydrophobicContact CD2-CE 3.86Å; L1033-M1036 WeakPolarHBondContact O-CB 3.44Å; L1033-M1036 PolarHBondContact O-N 3.2Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.44Å; M1036-S1039 PolarHBondContact O-N 2.99Å; M1036-S1039 PolarHBondContact O-OG 2.85Å; M1036-S1040 PolarHBondContact O-N 3Å
1037V92.9Very high86.5Confident35 Ų3573.8 Ų73.821%0.21239%0.388CS..Hα-helixtrans-62.4-46.2177.5163.80000111.8M814 V819 I996 L1033 D1034 A1035 S1039 S1040M814-V1037 HydrophobicContact SD-CG2 4.04Å; V819-V1037 HydrophobicContact CG1-CG1 3.62Å; V819-V1037 HydrophobicContact CG1-CG2 4.42Å; V819-V1037 HydrophobicContact CG2-CG1 4.29Å; I996-V1037 HydrophobicContact CD1-CG2 4.18Å; I996-V1037 HydrophobicContact CG1-CG2 4.45Å; I996-V1037 HydrophobicContact CG2-CG2 3.82Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.04Å; L1033-V1037 PolarHBondContact O-N 3.08Å; D1034-V1037 PolarHBondContact O-N 3.01Å; A1035-V1037 VanDerWaalsContact C-N 3.35Å; A1035-V1037 PolarHBondContact O-N 3.06Å; V1037-S1039 PolarHBondContact O-N 3.5Å; V1037-S1040 VanDerWaalsContact O-CB 3.24Å; V1037-S1040 WeakPolarHBondContact O-CB 3.07Å; V1037-S1040 PolarHBondContact O-N 3.22Å; V1037-S1040 VanDerWaalsContact O-N 3.17Å; V1037-S1040 PolarHBondContact O-OG 3.06Å
1038M91.7Very high86.3Confident154 Ų15468 Ų6876%0.75936%0.364SS*.Hα-helixtrans-64.1-27.9176.2-72.3-173-72.600113D1034 A1035 S1040D1034-M1038 HydrophobicContact CB-CE 4.49Å; D1034-M1038 WeakPolarHBondContact O-CG 3.29Å; D1034-M1038 PolarHBondContact O-N 2.87Å; A1035-M1038 PolarHBondContact O-N 3.28Å; M1038-S1040 VanDerWaalsContact C-N 3.28Å; M1038-S1040 PolarHBondContact O-N 2.93Å
1039S89.6Confident86Confident59 Ų5968.1 Ų68.141%0.41336%0.359SS..THydrogen-bonded Turntrans-82.33.1176.576.20000114.8A1035 M1036 V1037A1035-S1039 WeakPolarHBondContact O-CB 3.05Å; A1035-S1039 PolarHBondContact O-N 3.14Å; A1035-S1039 PolarHBondContact O-OG 3.16Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.44Å; M1036-S1039 PolarHBondContact O-N 2.99Å; M1036-S1039 PolarHBondContact O-OG 2.85Å; V1037-S1039 PolarHBondContact O-N 3.5Å
1040S90.1Very high85.4Confident23 Ų2372.1 Ų72.116%0.16138%0.38CS..  trans-62.7137.2-173.557.20000113.6M814 M1036 V1037 M1038M814-S1040 VanDerWaalsContact O-CA 3.26Å; M814-S1040 WeakPolarHBondContact O-CA 3.41Å; M814-S1040 WeakPolarHBondContact O-CB 3.21Å; M1036-S1040 PolarHBondContact O-N 3Å; V1037-S1040 VanDerWaalsContact O-CB 3.24Å; V1037-S1040 WeakPolarHBondContact O-CB 3.07Å; V1037-S1040 PolarHBondContact O-N 3.22Å; V1037-S1040 VanDerWaalsContact O-N 3.17Å; V1037-S1040 PolarHBondContact O-OG 3.06Å; M1038-S1040 VanDerWaalsContact C-N 3.28Å; M1038-S1040 PolarHBondContact O-N 2.93Å
1041K87.6Confident84.9Confident91 Ų9174.2 Ų74.240%0.39639%0.393SS..BIsolated β-bridgetrans-113.5162.4-176.3-56.2-169.5-170.9-179.40110.6E784 V813 M814 W815 R816E784-K1041 IonicContact OE1-NZ 2.67Å; E784-K1041 PolarHBondContact OE1-NZ 2.93Å; V813-K1041 HydrophobicContact CG1-CB 3.98Å; V813-K1041 HydrophobicContact CG1-CD 3.87Å; V813-K1041 HydrophobicContact CG1-CG 3.7Å; M814-K1041 PolarHBondContact O-N 3.09Å; W815-K1041 CarbonylContact C-O 3.54Å; W815-K1041 VanDerWaalsContact CA-O 3.24Å; W815-K1041 WeakPolarHBondContact CA-O 3.46Å; R816-K1041 PolarHBondContact N-O 3.08Å
1042D84.4Confident84.2Confident97 Ų9771.1 Ų71.152%0.51938%0.376SS..  trans-67.4150.1172.7-62.3-59000110.8R816 P1044R816-D1042 WeakPolarHBondContact CD-OD1 3.47Å; R816-D1042 IonicContact CZ-OD1 2.67Å; R816-D1042 IonicContact CZ-OD2 2.94Å; R816-D1042 IonicContact NE-OD1 3Å; R816-D1042 IonicContact NH1-OD1 3.21Å; R816-D1042 PolarHBondContact NH1-OD1 2.65Å; R816-D1042 IonicContact NH1-OD2 3.61Å; R816-D1042 PolarHBondContact NH1-OD2 3.5Å; R816-D1042 IonicContact NH2-OD2 2.71Å; R816-D1042 PolarHBondContact NH2-OD2 2.87Å; D1042-P1044 WeakPolarHBondContact O-CD 3.47Å
1043C77.6Confident83.4Confident21 Ų2172.2 Ų72.214%0.14239%0.386CS..  trans-74.5122.8175.4-177.30000109.5W815 Y1045 M1046W815-C1043 HydrophobicContact CB-CB 4.41Å; W815-C1043 HydrophobicContact CD2-CB 3.9Å; W815-C1043 HydrophobicContact CE3-CB 4.3Å; W815-C1043 HydrophobicContact CG-CB 3.96Å; C1043-Y1045 PolarHBondContact O-N 3.18Å; C1043-Y1045 VanDerWaalsContact O-N 3.07Å; C1043-M1046 HydrophobicContact CB-CG 4.08Å; C1043-M1046 HydrophobicContact CB-SD 4.24Å
1044P68.9Low82.6Confident83 Ų8377.7 Ų77.754%0.53942%0.416SS..THydrogen-bonded Turntrans-7813.1-17834.2-37.2000113.6D1042D1042-P1044 WeakPolarHBondContact O-CD 3.47Å
1045Y64.2Low81.6Confident130 Ų13079.3 Ų79.351%0.5142%0.424SS..THydrogen-bonded Turntrans-13121.8-176.5-52.8-61.5000112.6W815 C1043W815-Y1045 HydrophobicContact CZ2-CD2 4.38Å; C1043-Y1045 PolarHBondContact O-N 3.18Å; C1043-Y1045 VanDerWaalsContact O-N 3.07Å
1046M46.5Very low80.6Confident200 Ų20081.9 Ų81.999%0.98543%0.425SS*.  trans-100.10168.5-76.2-175.2171.400110.6D817 C1043D817-M1046 HydrophobicContact CB-CE 4.09Å; D817-M1046 WeakPolarHBondContact OD2-CE 3.3Å; C1043-M1046 HydrophobicContact CB-CG 4.08Å; C1043-M1046 HydrophobicContact CB-SD 4.24Å

Retrieved 1,046 of 1,046 residues in 509.6 ms (Link to these results)

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