A0A3Q0KV18_SCHMA Loading...

long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KV18, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 678 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
1M34.5Very low48.9Very low245 Ų245133.5 Ų133.5100%1.20770%0.701SS**  0101.10-80.6175.7170.100108.4C3M1-C3 PolarHBondContact O-N 3.01Å
2Q31.5Very low52.1Low195 Ų195122.8 Ų122.891%0.91165%0.645SS**  trans-65.7124.2165.7-83.4176.1-18.200107.7K4Q2-K4 PolarHBondContact O-N 2.97Å
3C35.3Very low54.7Low97 Ų97120.2 Ų120.266%0.65563%0.627SS**  trans-62.3107.7-179.9-171.50000109.3M1 L5M1-C3 PolarHBondContact O-N 3.01Å; C3-L5 PolarHBondContact O-N 3.49Å
4K41.9Very low57Low206 Ų206115.9 Ų115.990%0.89660%0.602SS**THydrogen-bonded Turntrans-65.111.3176.4-85.3-172.9173.9-177.50114.3Q2Q2-K4 PolarHBondContact O-N 2.97Å
5L42.9Very low59.2Low150 Ų150108.6 Ų108.679%0.78556%0.564SS**THydrogen-bonded Turntrans-105.58.4-171.7-77.9166.1000116.2C3C3-L5 PolarHBondContact O-N 3.49Å
6C35.4Very low61Low113 Ų113109.8 Ų109.876%0.76456%0.56SS**  trans-122.221.4178-70.70000115.8Q8C6-Q8 PolarHBondContact O-N 2.95Å; C6-Q8 VanDerWaalsContact O-N 3.08Å
7V41.3Very low62.6Low134 Ų134112.4 Ų112.481%0.81257%0.566SS**SBendtrans-75.891.9151-1720000104.7S9V7-S9 VanDerWaalsContact C-N 3.26Å; V7-S9 PolarHBondContact O-N 3.04Å
8Q50.9Low64.2Low182 Ų182106.6 Ų106.685%0.8554%0.537SS*.  trans-57.998.6170.6-78-176.1-11.100106.8C6 D10C6-Q8 PolarHBondContact O-N 2.95Å; C6-Q8 VanDerWaalsContact O-N 3.08Å; Q8-D10 PolarHBondContact O-N 3.12Å
9S62.1Low65.6Low36 Ų36101.1 Ų101.125%0.25251%0.509SS..  trans-64.3131.9173.9-1760000108.2V7 Y11V7-S9 VanDerWaalsContact C-N 3.26Å; V7-S9 PolarHBondContact O-N 3.04Å; S9-Y11 PolarHBondContact O-N 3.42Å; S9-Y11 VanDerWaalsContact O-N 3.1Å; S9-Y11 WeakPolarHBondContact OG-CD2 3.36Å
10D76.8Confident66.7Low101 Ų101103.6 Ų103.654%0.5452%0.517SS..SBendtrans-66.7-6.7175.8-70.4-34.7000113Q8Q8-D10 PolarHBondContact O-N 3.12Å
11Y85.6Confident67.6Low10 Ų1099.6 Ų99.64%0.03950%0.499CS..SBendtrans-65.1141.4176.7-76.6-103.3000111.5S9 H13 Y15 P21 E25 Y27 N378S9-Y11 PolarHBondContact O-N 3.42Å; S9-Y11 VanDerWaalsContact O-N 3.1Å; S9-Y11 WeakPolarHBondContact OG-CD2 3.36Å; Y11-H13 PolarHBondContact O-N 3.06Å; Y11-Y15 AromaticContact CD1-CD1 3.46Å; Y11-Y15 HydrophobicContact CD1-CD1 3.46Å; Y11-Y15 VanDerWaalsContact CD1-CD1 3.46Å; Y11-Y15 AromaticContact CD1-CE1 3.52Å; Y11-Y15 HydrophobicContact CD1-CE1 3.52Å; Y11-Y15 HydrophobicContact CD1-CG 4.34Å; Y11-Y15 HydrophobicContact CE1-CD1 4.12Å; Y11-Y15 AromaticContact CE1-CE1 3.67Å; Y11-Y15 HydrophobicContact CE1-CE1 3.67Å; Y11-Y15 HydrophobicContact CG-CD1 4.46Å; Y11-P21 HydrophobicContact CD1-CB 4.26Å; Y11-P21 HydrophobicContact CD1-CG 3.75Å; Y11-P21 HydrophobicContact CE1-CB 3.85Å; Y11-P21 HydrophobicContact CE1-CG 3.88Å; Y11-P21 HydrophobicContact CG-CG 4.22Å; Y11-E25 WeakPolarHBondContact CE2-O 3.14Å; Y11-Y27 AromaticContact CD1-CD2 3.33Å; Y11-Y27 HydrophobicContact CD1-CD2 3.33Å; Y11-Y27 HydrophobicContact CD1-CE2 4.04Å; Y11-Y27 HydrophobicContact CD1-CG 4.16Å; Y11-Y27 HydrophobicContact CD2-CD2 4.49Å; Y11-Y27 AromaticContact CE1-CD2 3.57Å; Y11-Y27 HydrophobicContact CE1-CD2 3.57Å; Y11-Y27 HydrophobicContact CE1-CE2 4.38Å; Y11-Y27 HydrophobicContact CE1-CG 4.46Å; Y11-Y27 AromaticContact CG-CD2 3.87Å; Y11-Y27 HydrophobicContact CG-CD2 3.87Å; Y11-Y27 HydrophobicContact CG-CG 4.27Å; Y11-N378 PolarHBondContact O-ND2 2.97Å
12P87Confident69.6Low4 Ų493.3 Ų93.33%0.02647%0.47CS..  trans-55.4134.8168.5-22.832.5000111.4H14 Y15 Y16 Y27 F377 N422P12-H14 PolarHBondContact O-N 3.39Å; P12-Y15 WeakPolarHBondContact O-CA 3.12Å; P12-Y15 VanDerWaalsContact O-CB 3.26Å; P12-Y15 WeakPolarHBondContact O-CB 3.24Å; P12-Y15 PolarHBondContact O-N 2.88Å; P12-Y16 PolarHBondContact O-N 3.17Å; P12-Y27 HydrophobicContact CG-CE1 3.95Å; P12-Y27 HydrophobicContact CG-CE2 4.25Å; P12-F377 HydrophobicContact CG-CB 3.87Å; P12-N422 HydrophobicContact CB-CB 4.23Å; P12-N422 HydrophobicContact CG-CB 4.22Å
13H85.8Confident71.9Confident90 Ų9087.8 Ų87.842%0.41745%0.449SS..Hα-helixtrans-58-37.5179.8173.9-82.4000112Y11 Y15 Y16 K17 N378 Q380Y11-H13 PolarHBondContact O-N 3.06Å; H13-Y15 VanDerWaalsContact C-N 3.33Å; H13-Y16 PolarHBondContact O-N 3.18Å; H13-K17 PolarHBondContact O-N 2.97Å; H13-N378 WeakPolarHBondContact CB-OD1 3.43Å; H13-N378 VanDerWaalsContact N-CG 3.31Å; H13-N378 PolarHBondContact N-OD1 3.46Å; H13-Q380 PolarHBondContact CD2-NE2 2.93Å; H13-Q380 PolarHBondContact CE1-NE2 3.44Å; H13-Q380 PolarHBondContact ND1-NE2 3.3Å; H13-Q380 VanDerWaalsContact ND1-NE2 3.13Å
14H86.7Confident74Confident59 Ų5987.4 Ų87.427%0.27345%0.448SS..Hα-helixtrans-60.3-44.9175.2-172.664.2000111.7P12 Y16 K17 V18 G397 R398 I399P12-H14 PolarHBondContact O-N 3.39Å; H14-Y16 PolarHBondContact O-N 3.12Å; H14-K17 PolarHBondContact O-N 2.97Å; H14-V18 WeakPolarHBondContact O-CG2 3.39Å; H14-V18 PolarHBondContact O-N 2.9Å; H14-V18 VanDerWaalsContact O-N 3.12Å; H14-G397 PolarHBondContact CE1-O 3.4Å; H14-G397 PolarHBondContact NE2-O 3.17Å; H14-R398 WeakPolarHBondContact NE2-CA 3.43Å; H14-I399 PolarHBondContact CD2-O 3.28Å
15Y89.6Confident75.8Confident7 Ų779.3 Ų79.33%0.02741%0.413CS..Hα-helixtrans-59.7-46.4176.1-174-76.8000111.2Y11 P12 H13 K17 V18 H19 P21 Y27 K278 C400 L424Y11-Y15 AromaticContact CD1-CD1 3.46Å; Y11-Y15 HydrophobicContact CD1-CD1 3.46Å; Y11-Y15 VanDerWaalsContact CD1-CD1 3.46Å; Y11-Y15 AromaticContact CD1-CE1 3.52Å; Y11-Y15 HydrophobicContact CD1-CE1 3.52Å; Y11-Y15 HydrophobicContact CD1-CG 4.34Å; Y11-Y15 HydrophobicContact CE1-CD1 4.12Å; Y11-Y15 AromaticContact CE1-CE1 3.67Å; Y11-Y15 HydrophobicContact CE1-CE1 3.67Å; Y11-Y15 HydrophobicContact CG-CD1 4.46Å; P12-Y15 WeakPolarHBondContact O-CA 3.12Å; P12-Y15 VanDerWaalsContact O-CB 3.26Å; P12-Y15 WeakPolarHBondContact O-CB 3.24Å; P12-Y15 PolarHBondContact O-N 2.88Å; H13-Y15 VanDerWaalsContact C-N 3.33Å; Y15-K17 VanDerWaalsContact C-N 3.32Å; Y15-K17 PolarHBondContact O-N 3.26Å; Y15-V18 PolarHBondContact O-N 3.44Å; Y15-H19 HydrophobicContact CD1-CB 4.3Å; Y15-H19 AromaticContact CD2-CD2 3.88Å; Y15-H19 HydrophobicContact CE1-CB 3.87Å; Y15-H19 HydrophobicContact CE2-CB 4.5Å; Y15-H19 AromaticContact CE2-CD2 3.49Å; Y15-H19 VanDerWaalsContact CE2-CD2 3.49Å; Y15-H19 WeakPolarHBondContact CE2-CD2 3.49Å; Y15-H19 AromaticContact CZ-CD2 3.76Å; Y15-H19 PolarHBondContact O-N 3.42Å; Y15-P21 HydrophobicContact CD1-CG 3.87Å; Y15-P21 HydrophobicContact CE1-CB 3.8Å; Y15-P21 HydrophobicContact CE1-CG 3.65Å; Y15-Y27 HydrophobicContact CD2-CE2 4.34Å; Y15-K278 WeakPolarHBondContact CE2-O 3.39Å; Y15-K278 VanDerWaalsContact CZ-O 3.26Å; Y15-K278 VanDerWaalsContact OH-C 3.28Å; Y15-K278 VanDerWaalsContact OH-CA 3.24Å; Y15-K278 WeakPolarHBondContact OH-CA 3.33Å; Y15-K278 PolarHBondContact OH-O 3.16Å; Y15-C400 HydrophobicContact CD2-CB 3.76Å; Y15-C400 HydrophobicContact CE2-CB 4.23Å; Y15-L424 HydrophobicContact CD2-CD2 4.45Å; Y15-L424 HydrophobicContact CE2-CD2 4.01Å
16Y88.1Confident77.9Confident128 Ų12875.5 Ų75.550%0.50240%0.397SS..Hα-helixtrans-57.4-43.6176.4-173.5-90.2000112.6P12 H13 H14 V18 K20 P21 V23P12-Y16 PolarHBondContact O-N 3.17Å; H13-Y16 PolarHBondContact O-N 3.18Å; H14-Y16 PolarHBondContact O-N 3.12Å; Y16-V18 VanDerWaalsContact C-N 3.33Å; Y16-V18 PolarHBondContact O-N 2.88Å; Y16-K20 VanDerWaalsContact O-CA 3.32Å; Y16-K20 WeakPolarHBondContact O-CA 3.37Å; Y16-K20 PolarHBondContact O-N 3.38Å; Y16-K20 VanDerWaalsContact O-N 3.11Å; Y16-P21 HydrophobicContact CD2-CG 4.4Å; Y16-V23 HydrophobicContact CD2-CG1 4.15Å; Y16-V23 HydrophobicContact CE2-CG1 3.75Å
17K89.1Confident80.4Confident153 Ų15370.2 Ų70.267%0.66536%0.361SS*.Hα-helixtrans-64.3-36.5179.4-175.3178.4179178.90112.7H13 H14 Y15H13-K17 PolarHBondContact O-N 2.97Å; H14-K17 PolarHBondContact O-N 2.97Å; Y15-K17 VanDerWaalsContact C-N 3.32Å; Y15-K17 PolarHBondContact O-N 3.26Å
18V91.1Very high82.8Confident8 Ų865.5 Ų65.55%0.04833%0.333CS..Hα-helixtrans-90.9-51.8-172.6172.50000112.2H14 Y15 Y16 T331 R398 C400H14-V18 WeakPolarHBondContact O-CG2 3.39Å; H14-V18 PolarHBondContact O-N 2.9Å; H14-V18 VanDerWaalsContact O-N 3.12Å; Y15-V18 PolarHBondContact O-N 3.44Å; Y16-V18 VanDerWaalsContact C-N 3.33Å; Y16-V18 PolarHBondContact O-N 2.88Å; V18-T331 HydrophobicContact CG1-CG2 3.39Å; V18-R398 HydrophobicContact CG2-CB 4.34Å; V18-R398 HydrophobicContact CG2-CG 4.5Å; V18-C400 WeakPolarHBondContact CB-SG 2.94Å; V18-C400 VanDerWaalsContact CG1-SG 3.58Å
19H90.7Very high84.7Confident2 Ų257 Ų571%0.00929%0.293CS..Hα-helixtrans-93-18-174.7-79.3-54.7000114.2Y15 N281 S284 C400Y15-H19 HydrophobicContact CD1-CB 4.3Å; Y15-H19 AromaticContact CD2-CD2 3.88Å; Y15-H19 HydrophobicContact CE1-CB 3.87Å; Y15-H19 HydrophobicContact CE2-CB 4.5Å; Y15-H19 AromaticContact CE2-CD2 3.49Å; Y15-H19 VanDerWaalsContact CE2-CD2 3.49Å; Y15-H19 WeakPolarHBondContact CE2-CD2 3.49Å; Y15-H19 AromaticContact CZ-CD2 3.76Å; Y15-H19 PolarHBondContact O-N 3.42Å; H19-N281 PolarHBondContact ND1-OD1 2.69Å; H19-N281 VanDerWaalsContact ND1-OD1 3.1Å; H19-N281 PolarHBondContact O-ND2 2.93Å; H19-S284 PolarHBondContact CE1-OG 3.35Å; H19-C400 WeakPolarHBondContact CD2-CB 3.47Å; H19-C400 VanDerWaalsContact NE2-CB 3.3Å; H19-C400 WeakPolarHBondContact NE2-CB 3.48Å
20K87.7Confident86.1Confident152 Ų15259.6 Ų59.666%0.66131%0.309SS*.  trans46.357.9-176.5-58.5-176.9-175.31800112.2Y16 L283Y16-K20 VanDerWaalsContact O-CA 3.32Å; Y16-K20 WeakPolarHBondContact O-CA 3.37Å; Y16-K20 PolarHBondContact O-N 3.38Å; Y16-K20 VanDerWaalsContact O-N 3.11Å; K20-L283 HydrophobicContact CB-CD1 4.16Å; K20-L283 HydrophobicContact CD-CD1 4.03Å; K20-L283 HydrophobicContact CG-CD1 4.12Å
21P84.9Confident86.9Confident20 Ų2057.4 Ų57.413%0.1330%0.296CS..  trans-65.6163.3-174.330.1-36000112.6Y11 Y15 Y16 V23Y11-P21 HydrophobicContact CD1-CB 4.26Å; Y11-P21 HydrophobicContact CD1-CG 3.75Å; Y11-P21 HydrophobicContact CE1-CB 3.85Å; Y11-P21 HydrophobicContact CE1-CG 3.88Å; Y11-P21 HydrophobicContact CG-CG 4.22Å; Y15-P21 HydrophobicContact CD1-CG 3.87Å; Y15-P21 HydrophobicContact CE1-CB 3.8Å; Y15-P21 HydrophobicContact CE1-CG 3.65Å; Y16-P21 HydrophobicContact CD2-CG 4.4Å; P21-V23 PolarHBondContact O-N 3.45Å
22N77.7Confident87.3Confident113 Ų11357.7 Ų57.760%0.60430%0.298SS*.  trans-71.6116.2162.8-173.4-1.8000109.9S24N22-S24 PolarHBondContact ND2-OG 2.98Å; N22-S24 VanDerWaalsContact ND2-OG 3.09Å; N22-S24 PolarHBondContact O-N 2.79Å; N22-S24 PolarHBondContact OD1-N 3.09Å; N22-S24 VanDerWaalsContact OD1-N 3.17Å; N22-S24 PolarHBondContact OD1-OG 3.49Å; N22-S24 VanDerWaalsContact OD1-OG 3.06Å
23V78.4Confident87.6Confident79 Ų7963.1 Ų63.148%0.47933%0.327SS..THydrogen-bonded Turntrans-78.63.7-177.2-63.90000114.1Y16 P21 E25Y16-V23 HydrophobicContact CD2-CG1 4.15Å; Y16-V23 HydrophobicContact CE2-CG1 3.75Å; P21-V23 PolarHBondContact O-N 3.45Å; V23-E25 PolarHBondContact O-N 3.34Å
24S80.8Confident88.1Confident89 Ų8964.8 Ų64.862%0.62233%0.333SS*.THydrogen-bonded Turntrans-72.1-15.1176.362.90000113.9N22N22-S24 PolarHBondContact ND2-OG 2.98Å; N22-S24 VanDerWaalsContact ND2-OG 3.09Å; N22-S24 PolarHBondContact O-N 2.79Å; N22-S24 PolarHBondContact OD1-N 3.09Å; N22-S24 VanDerWaalsContact OD1-N 3.17Å; N22-S24 PolarHBondContact OD1-OG 3.49Å; N22-S24 VanDerWaalsContact OD1-OG 3.06Å
25E80Confident88.6Confident36 Ų3662 Ų6217%0.16832%0.32CS..SBendtrans-111.2148.6-176.8-58.7-166.2163.600111.4Y11 V23 R53 F54Y11-E25 WeakPolarHBondContact CE2-O 3.14Å; V23-E25 PolarHBondContact O-N 3.34Å; E25-R53 IonicContact OE1-CZ 2.92Å; E25-R53 IonicContact OE1-NH1 3.24Å; E25-R53 PolarHBondContact OE1-NH1 3Å; E25-R53 IonicContact OE1-NH2 3.96Å; E25-R53 PolarHBondContact OE1-NH2 3.2Å; E25-F54 WeakPolarHBondContact OE2-CE1 3.27Å
26P87Confident89Confident70 Ų7062 Ų6246%0.45532%0.321SS..  trans-66.9147174.228.7-34.4000111.3K278P26-K278 WeakPolarHBondContact O-CE 3.4Å; P26-K278 PolarHBondContact O-NZ 2.75Å
27Y87.8Confident89.4Confident2 Ų258.7 Ų58.71%0.00831%0.311CS..SBendtrans-64.4-51.8174.5-179.7-115.6000110.8Y11 P12 Y15 K278 F377 V443Y11-Y27 AromaticContact CD1-CD2 3.33Å; Y11-Y27 HydrophobicContact CD1-CD2 3.33Å; Y11-Y27 HydrophobicContact CD1-CE2 4.04Å; Y11-Y27 HydrophobicContact CD1-CG 4.16Å; Y11-Y27 HydrophobicContact CD2-CD2 4.49Å; Y11-Y27 AromaticContact CE1-CD2 3.57Å; Y11-Y27 HydrophobicContact CE1-CD2 3.57Å; Y11-Y27 HydrophobicContact CE1-CE2 4.38Å; Y11-Y27 HydrophobicContact CE1-CG 4.46Å; Y11-Y27 AromaticContact CG-CD2 3.87Å; Y11-Y27 HydrophobicContact CG-CD2 3.87Å; Y11-Y27 HydrophobicContact CG-CG 4.27Å; P12-Y27 HydrophobicContact CG-CE1 3.95Å; P12-Y27 HydrophobicContact CG-CE2 4.25Å; Y15-Y27 HydrophobicContact CD2-CE2 4.34Å; Y27-K278 PolarHBondContact O-NZ 2.82Å; Y27-F377 HydrophobicContact CD1-CB 3.93Å; Y27-F377 AromaticContact CD1-CD2 3.77Å; Y27-F377 HydrophobicContact CD1-CD2 3.77Å; Y27-F377 AromaticContact CD1-CG 3.89Å; Y27-F377 HydrophobicContact CD1-CG 3.89Å; Y27-F377 HydrophobicContact CE1-CB 3.54Å; Y27-F377 HydrophobicContact CE1-CD1 4.02Å; Y27-F377 AromaticContact CE1-CD2 3.87Å; Y27-F377 HydrophobicContact CE1-CD2 3.87Å; Y27-F377 AromaticContact CE1-CG 3.52Å; Y27-F377 HydrophobicContact CE1-CG 3.52Å; Y27-V443 HydrophobicContact CD1-CG1 4.31Å; Y27-V443 HydrophobicContact CD2-CG1 4.22Å; Y27-V443 HydrophobicContact CE1-CG1 4.04Å; Y27-V443 HydrophobicContact CE2-CG1 3.98Å; Y27-V443 HydrophobicContact CG-CG1 4.41Å; Y27-V443 WeakPolarHBondContact O-CG1 3.44Å
28V90.5Very high89.8Confident35 Ų3554.9 Ų54.921%0.21230%0.301CS..SBendtrans-69.4135.3176.7178.70000110.2L32 F377V28-L32 HydrophobicContact CG1-CD2 4.02Å; V28-F377 HydrophobicContact CG2-CD2 3.89Å; V28-F377 HydrophobicContact CG2-CE2 3.4Å; V28-F377 VanDerWaalsContact CG2-CE2 3.4Å; V28-F377 HydrophobicContact CG2-CZ 4.38Å
29S91.9Very high90.1Very high3 Ų357.8 Ų57.82%0.02132%0.315CS..  trans-63.7133.6179-167.50000111.6H31 L32 E276 V443S29-H31 PolarHBondContact O-N 2.85Å; S29-L32 WeakPolarHBondContact O-CB 2.83Å; S29-L32 PolarHBondContact O-N 3.1Å; S29-E276 VanDerWaalsContact CA-OE2 3.28Å; S29-E276 WeakPolarHBondContact CA-OE2 3.08Å; S29-E276 WeakPolarHBondContact CB-OE2 3.32Å; S29-E276 PolarHBondContact OG-OE2 2.74Å; S29-V443 PolarHBondContact N-O 2.91Å
30P91.7Very high90.4Very high91 Ų9160.5 Ų60.559%0.59133%0.33SS*.THydrogen-bonded Turntrans-67-16.6175.328.8-34.9000112.6L32P30-L32 VanDerWaalsContact C-N 3.32Å
31H93.9Very high90.6Very high54 Ų5458.9 Ų58.925%0.2534%0.337CS..THydrogen-bonded Turntrans-89.46.8-179-62-67.6000113.8S29 N33 K34 Q35 P49 F50 L442S29-H31 PolarHBondContact O-N 2.85Å; H31-N33 PolarHBondContact O-N 3.3Å; H31-K34 CarbonylContact O-C 3.31Å; H31-K34 PolarHBondContact O-N 2.93Å; H31-Q35 WeakPolarHBondContact O-CG 3.32Å; H31-Q35 PolarHBondContact O-N 2.94Å; H31-P49 HydrophobicContact CB-CB 4.46Å; H31-P49 HydrophobicContact CB-CG 3.95Å; H31-F50 HydrophobicContact CB-CE2 4.24Å; H31-F50 HydrophobicContact CB-CZ 4.06Å; H31-F50 AromaticContact CD2-CD1 3.78Å; H31-F50 AromaticContact CD2-CE1 3.39Å; H31-F50 WeakPolarHBondContact CD2-CE1 3.44Å; H31-F50 AromaticContact CD2-CZ 3.59Å; H31-L442 HydrophobicContact CB-CD1 3.78Å
32L92.1Very high91Very high17 Ų1766.2 Ų66.29%0.08937%0.368CS..THydrogen-bonded Turntrans-54.7-33.8-175.3-172.662.9000113.2V28 S29 P30 Q35 E445 F446 R447V28-L32 HydrophobicContact CG1-CD2 4.02Å; S29-L32 WeakPolarHBondContact O-CB 2.83Å; S29-L32 PolarHBondContact O-N 3.1Å; P30-L32 VanDerWaalsContact C-N 3.32Å; L32-Q35 PolarHBondContact O-NE2 3.46Å; L32-E445 HydrophobicContact CD1-CB 4.05Å; L32-F446 HydrophobicContact CD2-CD1 4.34Å; L32-F446 HydrophobicContact CD2-CE1 4.25Å; L32-R447 VanDerWaalsContact CD1-NH2 3.33Å; L32-R447 PolarHBondContact O-NH2 3.24Å
33N94.2Very high91.7Very high117 Ų11763.5 Ų63.563%0.62636%0.355SS*.THydrogen-bonded Turntrans-100.96.5179.6-63.3-36.2000114.3H31 R447H31-N33 PolarHBondContact O-N 3.3Å; N33-R447 PolarHBondContact OD1-NH1 2.79Å
34K96.1Very high92.5Very high125 Ų12561.1 Ų61.154%0.54335%0.347SS..  trans-15074.4177-168.5178.7-176-1790109.2H31 S36 P49 E519H31-K34 CarbonylContact O-C 3.31Å; H31-K34 PolarHBondContact O-N 2.93Å; K34-S36 VanDerWaalsContact C-N 3.33Å; K34-P49 VanDerWaalsContact O-CB 3.29Å; K34-P49 WeakPolarHBondContact O-CB 3.28Å; K34-P49 VanDerWaalsContact O-CG 3.3Å; K34-P49 WeakPolarHBondContact O-CG 2.99Å; K34-E519 CarbonylContact C-O 3.55Å; K34-E519 WeakPolarHBondContact CA-O 3.47Å
35Q97.1Very high93.3Very high0 Ų057 Ų570%032%0.318CS..  trans-85.8-3.2-171-67.6-165.728.800114.1H31 L32 P49 L442 E445 A453 V454 E519 G520 S521H31-Q35 WeakPolarHBondContact O-CG 3.32Å; H31-Q35 PolarHBondContact O-N 2.94Å; L32-Q35 PolarHBondContact O-NE2 3.46Å; Q35-P49 WeakPolarHBondContact O-CD 3.29Å; Q35-L442 HydrophobicContact CG-CD1 3.89Å; Q35-E445 PolarHBondContact NE2-OE2 3.43Å; Q35-A453 HydrophobicContact CB-CB 3.74Å; Q35-A453 HydrophobicContact CG-CB 4.2Å; Q35-A453 VanDerWaalsContact O-CA 3.23Å; Q35-A453 WeakPolarHBondContact O-CA 3.19Å; Q35-A453 WeakPolarHBondContact O-CB 3.31Å; Q35-A453 VanDerWaalsContact OE1-N 3.15Å; Q35-V454 PolarHBondContact O-N 2.93Å; Q35-E519 PolarHBondContact N-O 3.5Å; Q35-G520 CarbonylContact C-O 3.55Å; Q35-S521 VanDerWaalsContact OE1-CB 3.25Å; Q35-S521 PolarHBondContact OE1-OG 2.9Å
36S97.8Very high94.2Very high8 Ų857.4 Ų57.46%0.05632%0.318CS..  trans-156.6164.5168.159.20000111.2K34 R46 K47 G520K34-S36 VanDerWaalsContact C-N 3.33Å; S36-R46 WeakPolarHBondContact OG-CD 3.43Å; S36-R46 PolarHBondContact OG-NH1 2.94Å; S36-K47 CarbonylContact C-O 3.59Å; S36-K47 WeakPolarHBondContact CA-O 3.19Å; S36-G520 WeakPolarHBondContact CB-O 3.38Å; S36-G520 WeakPolarHBondContact OG-CA 3.44Å; S36-G520 PolarHBondContact OG-O 3.37Å
37I97.5Very high94.7Very high58 Ų5858.7 Ų58.730%0.29732%0.316SS..EExtended strand (participates in β ladder)trans-123.9124.1177.3-58177.5000108.1I39 R46 K47 P49I37-I39 PolarHBondContact O-N 3.37Å; I37-R46 CarbonylContact O-C 3.55Å; I37-R46 WeakPolarHBondContact O-CA 2.92Å; I37-K47 HydrophobicContact CB-CG 4.4Å; I37-K47 PolarHBondContact N-O 2.89Å; I37-K47 PolarHBondContact O-N 3.08Å; I37-P49 HydrophobicContact CD1-CB 4.29Å; I37-P49 HydrophobicContact CG1-CB 4.24Å
38V97.5Very high95.1Very high73 Ų7359 Ų5944%0.44232%0.319SS..EExtended strand (participates in β ladder)trans-66.9126172-179.90000109A45 R46V38-A45 WeakPolarHBondContact CA-O 3.21Å; V38-R46 HydrophobicContact CB-CG 4.42Å; V38-R46 HydrophobicContact CG2-CG 3.84Å
39I97.1Very high95.3Very high69 Ų6958 Ų5835%0.35431%0.313SS..SBendtrans-111.3-20.4179.852.5167.9000113I37 A45 K47 E459I37-I39 PolarHBondContact O-N 3.37Å; I39-A45 HydrophobicContact CD1-CB 4.46Å; I39-A45 HydrophobicContact CG1-CB 4.12Å; I39-A45 VanDerWaalsContact CG1-O 3.28Å; I39-A45 WeakPolarHBondContact CG1-O 3.36Å; I39-A45 PolarHBondContact N-O 2.85Å; I39-K47 HydrophobicContact CD1-CB 4.4Å; I39-K47 HydrophobicContact CG2-CB 4.3Å; I39-K47 HydrophobicContact CG2-CD 3.57Å; I39-K47 VanDerWaalsContact CG2-CE 3.49Å; I39-K47 HydrophobicContact CG2-CG 3.57Å; I39-E459 HydrophobicContact CD1-CB 4.3Å; I39-E459 VanDerWaalsContact CD1-CD 3.44Å; I39-E459 HydrophobicContact CD1-CG 3.69Å
40D96Very high95.3Very high60 Ų6058.5 Ų58.532%0.32132%0.315SS..  trans-135.8114.4173.9177.9-0.4000108.8K42 T43 G44 A45D40-K42 VanDerWaalsContact C-N 3.29Å; D40-K42 PolarHBondContact O-N 2.84Å; D40-K42 WeakPolarHBondContact OD1-CA 3.48Å; D40-K42 VanDerWaalsContact OD1-CB 3.3Å; D40-K42 WeakPolarHBondContact OD1-CB 3.49Å; D40-K42 PolarHBondContact OD1-N 2.69Å; D40-T43 WeakPolarHBondContact CB-OG1 3.19Å; D40-T43 PolarHBondContact OD1-N 3.4Å; D40-T43 WeakPolarHBondContact OD2-CB 3.29Å; D40-T43 WeakPolarHBondContact OD2-CG2 3.47Å; D40-T43 PolarHBondContact OD2-OG1 2.88Å; D40-G44 CarbonylContact O-C 3.59Å; D40-G44 WeakPolarHBondContact O-CA 3.45Å; D40-G44 PolarHBondContact O-N 3.12Å; D40-A45 HydrophobicContact CB-CB 4.17Å; D40-A45 PolarHBondContact N-O 3.19Å; D40-A45 PolarHBondContact O-N 3.44Å
41S92.9Very high95.1Very high117 Ų11759.4 Ų59.482%0.81832%0.319SS*.THydrogen-bonded Turntrans-72.3-22.3-18060.10000113.2
42K92.8Very high94.5Very high175 Ų17559.6 Ų59.676%0.76132%0.324SS*.THydrogen-bonded Turntrans-77.2-48.5-179.6-175.4-176.5176.8-1740111D40D40-K42 VanDerWaalsContact C-N 3.29Å; D40-K42 PolarHBondContact O-N 2.84Å; D40-K42 WeakPolarHBondContact OD1-CA 3.48Å; D40-K42 VanDerWaalsContact OD1-CB 3.3Å; D40-K42 WeakPolarHBondContact OD1-CB 3.49Å; D40-K42 PolarHBondContact OD1-N 2.69Å
43T93Very high94.1Very high56 Ų5665.5 Ų65.534%0.34435%0.345SS..THydrogen-bonded Turntrans-89.2-17.7179.960.60000113.1D40 A45D40-T43 WeakPolarHBondContact CB-OG1 3.19Å; D40-T43 PolarHBondContact OD1-N 3.4Å; D40-T43 WeakPolarHBondContact OD2-CB 3.29Å; D40-T43 WeakPolarHBondContact OD2-CG2 3.47Å; D40-T43 PolarHBondContact OD2-OG1 2.88Å; T43-A45 PolarHBondContact O-N 3Å; T43-A45 WeakPolarHBondContact OG1-CB 3.48Å; T43-A45 PolarHBondContact OG1-N 3.48Å
44G95.3Very high93.7Very high29 Ų2961 Ų6130%0.29932%0.32SS..  trans73.712.7-171.800000113.4D40D40-G44 CarbonylContact O-C 3.59Å; D40-G44 WeakPolarHBondContact O-CA 3.45Å; D40-G44 PolarHBondContact O-N 3.12Å
45A97.7Very high93.4Very high3 Ų355.1 Ų55.13%0.02530%0.295CS..  trans-58.9140.6179.800000111.4V38 I39 D40 T43 V460 K461 W507V38-A45 WeakPolarHBondContact CA-O 3.21Å; I39-A45 HydrophobicContact CD1-CB 4.46Å; I39-A45 HydrophobicContact CG1-CB 4.12Å; I39-A45 VanDerWaalsContact CG1-O 3.28Å; I39-A45 WeakPolarHBondContact CG1-O 3.36Å; I39-A45 PolarHBondContact N-O 2.85Å; D40-A45 HydrophobicContact CB-CB 4.17Å; D40-A45 PolarHBondContact N-O 3.19Å; D40-A45 PolarHBondContact O-N 3.44Å; T43-A45 PolarHBondContact O-N 3Å; T43-A45 WeakPolarHBondContact OG1-CB 3.48Å; T43-A45 PolarHBondContact OG1-N 3.48Å; A45-V460 WeakPolarHBondContact CA-O 3.44Å; A45-K461 HydrophobicContact CB-CB 4.18Å; A45-W507 HydrophobicContact CB-CH2 3.84Å; A45-W507 HydrophobicContact CB-CZ2 4.14Å
46R98.2Very high93.1Very high44 Ų4460 Ų6017%0.16632%0.32CS..EExtended strand (participates in β ladder)trans-130146.4-173-81.4169.9161.3-156.4-0.1110.9S36 I37 V38 E459 V460 W516S36-R46 WeakPolarHBondContact OG-CD 3.43Å; S36-R46 PolarHBondContact OG-NH1 2.94Å; I37-R46 CarbonylContact O-C 3.55Å; I37-R46 WeakPolarHBondContact O-CA 2.92Å; V38-R46 HydrophobicContact CB-CG 4.42Å; V38-R46 HydrophobicContact CG2-CG 3.84Å; R46-E459 CarbonylContact O-C 3.58Å; R46-E459 VanDerWaalsContact O-CA 3.27Å; R46-E459 WeakPolarHBondContact O-CA 3.2Å; R46-V460 PolarHBondContact N-O 2.53Å; R46-V460 PolarHBondContact O-N 3.46Å; R46-W516 HydrophobicContact CB-CH2 4.04Å; R46-W516 HydrophobicContact CB-CZ2 4.01Å; R46-W516 VanDerWaalsContact CD-CE2 3.42Å; R46-W516 VanDerWaalsContact CD-CZ2 3.41Å; R46-W516 HydrophobicContact CG-CZ2 4.24Å; R46-W516 VanDerWaalsContact NH1-CG 3.25Å
47K97.3Very high92.9Very high97 Ų9763.7 Ų63.742%0.42234%0.335SS..EExtended strand (participates in β ladder)trans-122.3171.8171.371.1176.3172.8-174.90111.8S36 I37 I39 E459S36-K47 CarbonylContact C-O 3.59Å; S36-K47 WeakPolarHBondContact CA-O 3.19Å; I37-K47 HydrophobicContact CB-CG 4.4Å; I37-K47 PolarHBondContact N-O 2.89Å; I37-K47 PolarHBondContact O-N 3.08Å; I39-K47 HydrophobicContact CD1-CB 4.4Å; I39-K47 HydrophobicContact CG2-CB 4.3Å; I39-K47 HydrophobicContact CG2-CD 3.57Å; I39-K47 VanDerWaalsContact CG2-CE 3.49Å; I39-K47 HydrophobicContact CG2-CG 3.57Å; K47-E459 HydrophobicContact CB-CG 4.5Å
48S96.5Very high92.7Very high9 Ų961.1 Ų61.16%0.06332%0.322CS..  trans-56.6142.6173.3-1630000112.6F50 V454S48-F50 WeakPolarHBondContact OG-CD2 3.46Å; S48-F50 PolarHBondContact OG-N 3Å; S48-V454 WeakPolarHBondContact CA-O 3.37Å; S48-V454 WeakPolarHBondContact CB-O 3.08Å; S48-V454 PolarHBondContact OG-O 3.34Å
49P95Very high92.4Very high12 Ų1261 Ų618%0.07832%0.324CS..SBendtrans-77.1-14168.936.1-38000112.4H31 K34 Q35 I37H31-P49 HydrophobicContact CB-CB 4.46Å; H31-P49 HydrophobicContact CB-CG 3.95Å; K34-P49 VanDerWaalsContact O-CB 3.29Å; K34-P49 WeakPolarHBondContact O-CB 3.28Å; K34-P49 VanDerWaalsContact O-CG 3.3Å; K34-P49 WeakPolarHBondContact O-CG 2.99Å; Q35-P49 WeakPolarHBondContact O-CD 3.29Å; I37-P49 HydrophobicContact CD1-CB 4.29Å; I37-P49 HydrophobicContact CG1-CB 4.24Å
50F92.6Very high92.3Very high14 Ų1462.5 Ų62.56%0.06133%0.333CS..  trans-77.4143.3178.9-64.4-91.2000110.9H31 S48 E273 E276 L442 A453H31-F50 HydrophobicContact CB-CE2 4.24Å; H31-F50 HydrophobicContact CB-CZ 4.06Å; H31-F50 AromaticContact CD2-CD1 3.78Å; H31-F50 AromaticContact CD2-CE1 3.39Å; H31-F50 WeakPolarHBondContact CD2-CE1 3.44Å; H31-F50 AromaticContact CD2-CZ 3.59Å; S48-F50 WeakPolarHBondContact OG-CD2 3.46Å; S48-F50 PolarHBondContact OG-N 3Å; F50-E273 WeakPolarHBondContact CD1-O 3.35Å; F50-E276 HydrophobicContact CD1-CG 4.49Å; F50-E276 HydrophobicContact CE1-CG 3.7Å; F50-L442 HydrophobicContact CE2-CD1 4.19Å; F50-L442 HydrophobicContact CE2-CD2 3.62Å; F50-L442 HydrophobicContact CZ-CD1 4.13Å; F50-L442 HydrophobicContact CZ-CD2 3.65Å; F50-A453 HydrophobicContact CE2-CB 4.45Å
51T86.8Confident92.4Very high110 Ų11059.7 Ų59.768%0.67532%0.318SS*.  trans-114.1157.816955.50000108.9R53T51-R53 PolarHBondContact O-N 3.23Å
52T80.4Confident92.6Very high59 Ų5959 Ų5936%0.36230%0.297SS..SBendtrans-55114.6179.9-29.50000110.8T55 L56 Y456T52-T55 WeakPolarHBondContact CG2-OG1 3.25Å; T52-L56 HydrophobicContact CG2-CD2 3.75Å; T52-L56 HydrophobicContact CG2-CG 4.03Å; T52-Y456 PolarHBondContact OG1-OH 3.37Å
53R84.8Confident92.9Very high141 Ų14151.1 Ų51.153%0.53226%0.264SS..SBendtrans-141.7-57.5179.8-175.8179-176.4-148.7-9110.5E25 T51 E273E25-R53 IonicContact OE1-CZ 2.92Å; E25-R53 IonicContact OE1-NH1 3.24Å; E25-R53 PolarHBondContact OE1-NH1 3Å; E25-R53 IonicContact OE1-NH2 3.96Å; E25-R53 PolarHBondContact OE1-NH2 3.2Å; T51-R53 PolarHBondContact O-N 3.23Å; R53-E273 PolarHBondContact N-OE1 3.2Å; R53-E273 PolarHBondContact N-OE2 3.4Å
54F85.7Confident93.1Very high21 Ų2148.5 Ų48.59%0.09225%0.248CC..SBendtrans-77.3-25-175.7-60.7-78.6000112.3E25 K57 I272 E273 E276 E277E25-F54 WeakPolarHBondContact OE2-CE1 3.27Å; F54-K57 WeakPolarHBondContact O-CE 3.45Å; F54-K57 WeakPolarHBondContact O-CG 3.22Å; F54-I272 HydrophobicContact CB-CG2 3.93Å; F54-E273 VanDerWaalsContact CD2-OE2 3.28Å; F54-E273 WeakPolarHBondContact CD2-OE2 3.4Å; F54-E273 PolarHBondContact N-OE1 2.75Å; F54-E273 VanDerWaalsContact N-OE1 3.07Å; F54-E273 PolarHBondContact N-OE2 2.88Å; F54-E273 VanDerWaalsContact N-OE2 3.09Å; F54-E276 HydrophobicContact CD2-CB 4.25Å; F54-E276 HydrophobicContact CD2-CG 4.49Å; F54-E276 HydrophobicContact CE1-CB 4.21Å; F54-E276 HydrophobicContact CE2-CB 3.58Å; F54-E276 HydrophobicContact CE2-CG 3.67Å; F54-E276 HydrophobicContact CZ-CB 3.55Å; F54-E276 HydrophobicContact CZ-CG 4Å; F54-E277 HydrophobicContact CD1-CB 4.09Å
55T89.5Confident93.3Very high3 Ų348.3 Ų48.32%0.01824%0.239CC..SBendtrans-95.1-2.6-179.360.90000113.8T52 K57 F58 S59 F269 I272 E273T52-T55 WeakPolarHBondContact CG2-OG1 3.25Å; T55-K57 PolarHBondContact O-N 3.34Å; T55-F58 CarbonylContact O-C 3.5Å; T55-F58 WeakPolarHBondContact O-CA 3.27Å; T55-F58 PolarHBondContact O-N 3.24Å; T55-S59 PolarHBondContact O-N 2.98Å; T55-F269 HydrophobicContact CG2-CB 3.75Å; T55-F269 HydrophobicContact CG2-CD1 3.76Å; T55-F269 HydrophobicContact CG2-CG 3.79Å; T55-I272 HydrophobicContact CG2-CB 3.95Å; T55-I272 HydrophobicContact CG2-CG2 3.83Å; T55-E273 VanDerWaalsContact CB-OE1 3.31Å; T55-E273 WeakPolarHBondContact CB-OE1 3.34Å; T55-E273 HydrophobicContact CG2-CG 3.75Å; T55-E273 WeakPolarHBondContact CG2-OE1 3.37Å; T55-E273 PolarHBondContact N-OE1 2.94Å; T55-E273 PolarHBondContact OG1-OE1 3.42Å
56L91.3Very high93.3Very high101 Ų10149.2 Ų49.253%0.52925%0.245SC..G310 helixtrans-57.7-33.8176.9-72.6173.4000112.4T52 F58 S59T52-L56 HydrophobicContact CG2-CD2 3.75Å; T52-L56 HydrophobicContact CG2-CG 4.03Å; L56-F58 PolarHBondContact O-N 3.17Å; L56-S59 VanDerWaalsContact O-CB 3.28Å; L56-S59 WeakPolarHBondContact O-CB 3.24Å; L56-S59 PolarHBondContact O-N 3.34Å; L56-S59 PolarHBondContact O-OG 3.18Å
57K92.4Very high93.3Very high86 Ų8647.1 Ų47.137%0.37424%0.237SC..G310 helixtrans-64.3-12.2173.959.8172.9171.6161.30114.2F54 T55 E277 E307F54-K57 WeakPolarHBondContact O-CE 3.45Å; F54-K57 WeakPolarHBondContact O-CG 3.22Å; T55-K57 PolarHBondContact O-N 3.34Å; K57-E277 WeakPolarHBondContact CE-OE2 3.45Å; K57-E277 IonicContact NZ-OE1 2.69Å; K57-E277 PolarHBondContact NZ-OE1 2.85Å; K57-E277 IonicContact NZ-OE2 3.88Å; K57-E277 PolarHBondContact NZ-OE2 2.95Å; K57-E307 IonicContact NZ-OE1 3.5Å; K57-E307 PolarHBondContact NZ-OE1 3.44Å; K57-E307 IonicContact NZ-OE2 3.43Å; K57-E307 PolarHBondContact NZ-OE2 2.83Å
58F94.1Very high93.4Very high5 Ų542.8 Ų42.82%0.02222%0.218CC..G310 helixtrans-118.221.8179.8-51.1-47.5000111.6T55 L56 D60 V61 K70 F269 I272 L306T55-F58 CarbonylContact O-C 3.5Å; T55-F58 WeakPolarHBondContact O-CA 3.27Å; T55-F58 PolarHBondContact O-N 3.24Å; L56-F58 PolarHBondContact O-N 3.17Å; F58-D60 PolarHBondContact O-N 2.6Å; F58-D60 VanDerWaalsContact O-N 3.07Å; F58-V61 HydrophobicContact CB-CB 4.41Å; F58-V61 HydrophobicContact CB-CG2 4.18Å; F58-V61 WeakPolarHBondContact O-CB 3.31Å; F58-V61 PolarHBondContact O-N 3.23Å; F58-K70 HydrophobicContact CD1-CD 4.27Å; F58-K70 HydrophobicContact CD1-CG 3.71Å; F58-K70 HydrophobicContact CE1-CG 4Å; F58-F269 HydrophobicContact CB-CE1 3.76Å; F58-F269 HydrophobicContact CB-CZ 3.85Å; F58-F269 HydrophobicContact CD2-CE1 4.36Å; F58-F269 HydrophobicContact CG-CE1 4.48Å; F58-F269 WeakPolarHBondContact O-CZ 3.25Å; F58-I272 HydrophobicContact CE2-CD1 4.15Å; F58-L306 HydrophobicContact CB-CD1 4.41Å; F58-L306 HydrophobicContact CD1-CD1 3.78Å; F58-L306 HydrophobicContact CD1-CG 4.2Å; F58-L306 HydrophobicContact CD2-CD1 4.29Å; F58-L306 HydrophobicContact CD2-CD2 3.67Å; F58-L306 HydrophobicContact CD2-CG 3.97Å; F58-L306 HydrophobicContact CE1-CD1 3.99Å; F58-L306 HydrophobicContact CE1-CG 4.1Å; F58-L306 HydrophobicContact CE2-CD1 4.46Å; F58-L306 HydrophobicContact CE2-CD2 3.88Å; F58-L306 HydrophobicContact CE2-CG 3.84Å; F58-L306 HydrophobicContact CG-CD1 3.92Å; F58-L306 HydrophobicContact CG-CD2 4.06Å; F58-L306 HydrophobicContact CG-CG 4.12Å; F58-L306 HydrophobicContact CZ-CD1 4.31Å; F58-L306 HydrophobicContact CZ-CD2 4.45Å; F58-L306 HydrophobicContact CZ-CG 3.9Å
59S91.2Very high93.5Very high71 Ų7145.5 Ų45.550%0.49723%0.23SC..THydrogen-bonded Turntrans-64.1-13.4-173.654.70000114.6T55 L56 R62T55-S59 PolarHBondContact O-N 2.98Å; L56-S59 VanDerWaalsContact O-CB 3.28Å; L56-S59 WeakPolarHBondContact O-CB 3.24Å; L56-S59 PolarHBondContact O-N 3.34Å; L56-S59 PolarHBondContact O-OG 3.18Å; S59-R62 PolarHBondContact O-NH1 3.01Å; S59-R62 PolarHBondContact O-NH2 3.38Å
60D94.2Very high93.6Very high100 Ų10046.5 Ų46.554%0.53523%0.233SC..THydrogen-bonded Turntrans-89-16.7172.658-36000113.7F58 R62F58-D60 PolarHBondContact O-N 2.6Å; F58-D60 VanDerWaalsContact O-N 3.07Å; D60-R62 PolarHBondContact O-N 2.95Å
61V98Very high93.9Very high1 Ų145.8 Ų45.81%0.00623%0.23CC..  trans-77.9120.2-178.7178.70000110.3F58 L67 K70 V265 F269 L306F58-V61 HydrophobicContact CB-CB 4.41Å; F58-V61 HydrophobicContact CB-CG2 4.18Å; F58-V61 WeakPolarHBondContact O-CB 3.31Å; F58-V61 PolarHBondContact O-N 3.23Å; V61-L67 HydrophobicContact CG1-CB 3.75Å; V61-L67 HydrophobicContact CG1-CG 4.43Å; V61-K70 HydrophobicContact CG2-CB 3.8Å; V61-K70 HydrophobicContact CG2-CD 4.43Å; V61-K70 HydrophobicContact CG2-CG 4.02Å; V61-V265 HydrophobicContact CG1-CG1 3.96Å; V61-V265 HydrophobicContact CG1-CG2 4.39Å; V61-F269 HydrophobicContact CB-CZ 4.11Å; V61-F269 HydrophobicContact CG1-CZ 4.47Å; V61-L306 HydrophobicContact CG1-CD1 4.45Å; V61-L306 HydrophobicContact CG2-CD1 4.1Å
62R97.5Very high94.5Very high101 Ų10141.2 Ų41.238%0.38120%0.202SC..  trans-136.7-13.3-178.1-64.4-71-179.1-75.8-8.9113.4S59 D60 S66 P238 Q262S59-R62 PolarHBondContact O-NH1 3.01Å; S59-R62 PolarHBondContact O-NH2 3.38Å; D60-R62 PolarHBondContact O-N 2.95Å; R62-S66 PolarHBondContact N-OG 3.44Å; R62-S66 VanDerWaalsContact N-OG 3.07Å; R62-P238 HydrophobicContact CB-CB 4.3Å; R62-P238 HydrophobicContact CB-CG 3.88Å; R62-Q262 VanDerWaalsContact CB-OE1 3.29Å; R62-Q262 PolarHBondContact O-OE1 3.38Å
63T98.6Very high95.3Very high11 Ų1144.7 Ų44.77%0.06721%0.214CC..SBendtrans-135.6158.3179.168.80000112.4K65 S66 L67 P236 H261T63-K65 PolarHBondContact O-N 2.94Å; T63-S66 PolarHBondContact N-OG 3.45Å; T63-S66 PolarHBondContact O-N 2.82Å; T63-S66 VanDerWaalsContact O-N 3.07Å; T63-S66 PolarHBondContact O-OG 3.29Å; T63-S66 PolarHBondContact OG1-N 2.94Å; T63-S66 PolarHBondContact OG1-OG 3.22Å; T63-L67 WeakPolarHBondContact O-CB 3.35Å; T63-L67 PolarHBondContact O-N 2.91Å; T63-P236 HydrophobicContact CG2-CG 4.21Å; T63-P236 WeakPolarHBondContact CG2-O 3.46Å; T63-H261 HydrophobicContact CG2-CB 3.95Å
64M98.5Very high95.9Very high0 Ų041.4 Ų41.40%021%0.209CC..Hα-helixtrans-57.6-30.4174.2-71.5-53.5-60.600113.5L67 F68 A142 Y242 H261 I264 S302M64-L67 HydrophobicContact CE-CD2 4.24Å; M64-L67 HydrophobicContact SD-CD1 4.16Å; M64-F68 PolarHBondContact O-N 3Å; M64-A142 HydrophobicContact CB-CB 3.97Å; M64-Y242 HydrophobicContact CB-CD2 4.45Å; M64-Y242 HydrophobicContact CB-CE2 4.25Å; M64-Y242 HydrophobicContact CG-CD1 3.95Å; M64-Y242 HydrophobicContact CG-CD2 4.19Å; M64-Y242 HydrophobicContact CG-CE1 3.74Å; M64-Y242 HydrophobicContact CG-CE2 4.02Å; M64-Y242 HydrophobicContact CG-CG 4.16Å; M64-H261 PolarHBondContact N-ND1 3.43Å; M64-I264 HydrophobicContact CG-CG2 3.71Å; M64-I264 HydrophobicContact SD-CB 4.48Å; M64-I264 HydrophobicContact SD-CD1 4.17Å; M64-I264 HydrophobicContact SD-CG1 4.27Å; M64-I264 HydrophobicContact SD-CG2 3.45Å; M64-I264 WeakPolarHBondContact SD-CG2 3.44Å; M64-S302 VanDerWaalsContact CE-OG 3.3Å; M64-S302 WeakPolarHBondContact CE-OG 3.29Å
65K98.4Very high96.5Very high25 Ų2540.8 Ų40.811%0.10921%0.208CC..Hα-helixtrans-62.2-57.7169.2175.4-177.1174-89.50110.7T63 L67 F68 E69 A143 T234 D235 P236T63-K65 PolarHBondContact O-N 2.94Å; K65-L67 PolarHBondContact O-N 3.42Å; K65-F68 PolarHBondContact O-N 3.08Å; K65-F68 VanDerWaalsContact O-N 3.16Å; K65-E69 WeakPolarHBondContact CE-OE1 3.45Å; K65-E69 HydrophobicContact CG-CG 4.44Å; K65-E69 IonicContact NZ-OE1 2.84Å; K65-E69 PolarHBondContact NZ-OE1 3.18Å; K65-E69 IonicContact NZ-OE2 3.22Å; K65-E69 PolarHBondContact NZ-OE2 3.05Å; K65-E69 WeakPolarHBondContact O-CG 3.33Å; K65-E69 PolarHBondContact O-N 2.94Å; K65-A143 HydrophobicContact CB-CB 4.35Å; K65-A143 HydrophobicContact CD-CB 4.23Å; K65-A143 HydrophobicContact CG-CB 4.18Å; K65-T234 WeakPolarHBondContact CD-O 3.28Å; K65-T234 WeakPolarHBondContact CE-O 3.46Å; K65-D235 IonicContact NZ-OD1 2.7Å; K65-D235 PolarHBondContact NZ-OD1 3.32Å; K65-P236 HydrophobicContact CB-CG 4.03Å; K65-P236 HydrophobicContact CD-CG 4.38Å
66S98.4Very high96.9Very high23 Ų2346.2 Ų46.216%0.16123%0.228CC..Hα-helixtrans-60.9-30.3-179.963.60000112.9R62 T63 E69 K70R62-S66 PolarHBondContact N-OG 3.44Å; R62-S66 VanDerWaalsContact N-OG 3.07Å; T63-S66 PolarHBondContact N-OG 3.45Å; T63-S66 PolarHBondContact O-N 2.82Å; T63-S66 VanDerWaalsContact O-N 3.07Å; T63-S66 PolarHBondContact O-OG 3.29Å; T63-S66 PolarHBondContact OG1-N 2.94Å; T63-S66 PolarHBondContact OG1-OG 3.22Å; S66-E69 PolarHBondContact O-N 3.39Å; S66-K70 WeakPolarHBondContact O-CB 3.29Å; S66-K70 PolarHBondContact O-N 3.02Å
67L98.6Very high97.3Very high0 Ų048.4 Ų48.40%023%0.233CC..Hα-helixtrans-64.7-48.6176-178.3150.2000111.1V61 T63 M64 K65 K70 G71 V265 V268 I305 L306V61-L67 HydrophobicContact CG1-CB 3.75Å; V61-L67 HydrophobicContact CG1-CG 4.43Å; T63-L67 WeakPolarHBondContact O-CB 3.35Å; T63-L67 PolarHBondContact O-N 2.91Å; M64-L67 HydrophobicContact CE-CD2 4.24Å; M64-L67 HydrophobicContact SD-CD1 4.16Å; K65-L67 PolarHBondContact O-N 3.42Å; L67-K70 PolarHBondContact O-N 3.39Å; L67-G71 PolarHBondContact O-N 3.29Å; L67-V265 HydrophobicContact CD1-CG2 4.27Å; L67-V268 HydrophobicContact CD1-CG1 4.41Å; L67-V268 HydrophobicContact CD1-CG2 4.28Å; L67-I305 HydrophobicContact CD2-CB 4.24Å; L67-I305 HydrophobicContact CD2-CG2 3.94Å; L67-L306 HydrophobicContact CD1-CB 4.37Å; L67-L306 HydrophobicContact CD2-CB 4.28Å; L67-L306 HydrophobicContact CG-CB 4.02Å; L67-L306 HydrophobicContact CG-CD1 4.19Å
68F98.7Very high97.6Very high6 Ų649.6 Ų49.63%0.02624%0.24CC..Hα-helixtrans-65.2-43175.9-179.2-91.5000111.3M64 K65 K70 G71 L72 Y96 V99 D100 I103 F135 I305M64-F68 PolarHBondContact O-N 3Å; K65-F68 PolarHBondContact O-N 3.08Å; K65-F68 VanDerWaalsContact O-N 3.16Å; F68-K70 PolarHBondContact O-N 3.05Å; F68-G71 PolarHBondContact O-N 2.98Å; F68-G71 VanDerWaalsContact O-N 3.13Å; F68-L72 HydrophobicContact CE1-CB 4.37Å; F68-L72 WeakPolarHBondContact O-CB 3.34Å; F68-L72 PolarHBondContact O-N 3.46Å; F68-Y96 HydrophobicContact CE2-CD1 4.29Å; F68-Y96 HydrophobicContact CZ-CD1 4.32Å; F68-V99 HydrophobicContact CE2-CB 4.43Å; F68-V99 HydrophobicContact CE2-CG1 3.7Å; F68-V99 HydrophobicContact CZ-CB 4Å; F68-V99 HydrophobicContact CZ-CG1 3.6Å; F68-D100 HydrophobicContact CE1-CB 3.87Å; F68-D100 VanDerWaalsContact CE1-OD1 3.32Å; F68-D100 WeakPolarHBondContact CE1-OD1 3.26Å; F68-D100 HydrophobicContact CZ-CB 4.42Å; F68-I103 HydrophobicContact CD1-CD1 3.96Å; F68-I103 HydrophobicContact CD2-CD1 4.16Å; F68-I103 HydrophobicContact CE1-CD1 3.7Å; F68-I103 HydrophobicContact CE2-CD1 3.92Å; F68-I103 HydrophobicContact CG-CD1 4.2Å; F68-I103 HydrophobicContact CZ-CD1 3.68Å; F68-F135 HydrophobicContact CD2-CE1 4.04Å; F68-F135 HydrophobicContact CD2-CZ 4.14Å; F68-F135 AromaticContact CE2-CE1 3.92Å; F68-F135 HydrophobicContact CE2-CE1 3.92Å; F68-F135 HydrophobicContact CE2-CZ 4.3Å; F68-I305 HydrophobicContact CB-CG2 4.49Å; F68-I305 HydrophobicContact CD2-CG2 3.83Å
69E98.5Very high97.8Very high65 Ų6551.3 Ų51.330%0.30425%0.252SS..Hα-helixtrans-59-35.8177.3-72.2173.5158.600112K65 S66 L72 E73K65-E69 WeakPolarHBondContact CE-OE1 3.45Å; K65-E69 HydrophobicContact CG-CG 4.44Å; K65-E69 IonicContact NZ-OE1 2.84Å; K65-E69 PolarHBondContact NZ-OE1 3.18Å; K65-E69 IonicContact NZ-OE2 3.22Å; K65-E69 PolarHBondContact NZ-OE2 3.05Å; K65-E69 WeakPolarHBondContact O-CG 3.33Å; K65-E69 PolarHBondContact O-N 2.94Å; S66-E69 PolarHBondContact O-N 3.39Å; E69-L72 WeakPolarHBondContact O-CB 3.27Å; E69-L72 PolarHBondContact O-N 3.37Å; E69-E73 PolarHBondContact O-N 2.75Å
70K98.3Very high98.1Very high33 Ų3347.9 Ų47.914%0.14323%0.228CC..Hα-helixtrans-68.2-40.8174.7-170.470.5-166.1169.30113.2F58 V61 S66 L67 F68 L72 E73 T74 L306F58-K70 HydrophobicContact CD1-CD 4.27Å; F58-K70 HydrophobicContact CD1-CG 3.71Å; F58-K70 HydrophobicContact CE1-CG 4Å; V61-K70 HydrophobicContact CG2-CB 3.8Å; V61-K70 HydrophobicContact CG2-CD 4.43Å; V61-K70 HydrophobicContact CG2-CG 4.02Å; S66-K70 WeakPolarHBondContact O-CB 3.29Å; S66-K70 PolarHBondContact O-N 3.02Å; L67-K70 PolarHBondContact O-N 3.39Å; F68-K70 PolarHBondContact O-N 3.05Å; K70-L72 VanDerWaalsContact C-N 3.34Å; K70-E73 IonicContact NZ-OE1 3.17Å; K70-E73 IonicContact NZ-OE2 3.26Å; K70-E73 PolarHBondContact NZ-OE2 3.04Å; K70-E73 PolarHBondContact O-N 2.91Å; K70-T74 PolarHBondContact O-N 3.32Å; K70-T74 VanDerWaalsContact O-N 3.12Å; K70-T74 PolarHBondContact O-OG1 3.49Å; K70-L306 HydrophobicContact CB-CD1 3.93Å; K70-L306 HydrophobicContact CG-CD1 3.88Å
71G98.3Very high98.4Very high0 Ų043.2 Ų43.20%020%0.203CC..Hα-helixtrans-61.3-43.7171.600000111.9L67 F68 T74 S75 I305L67-G71 PolarHBondContact O-N 3.29Å; F68-G71 PolarHBondContact O-N 2.98Å; F68-G71 VanDerWaalsContact O-N 3.13Å; G71-T74 PolarHBondContact O-N 3.29Å; G71-S75 PolarHBondContact O-N 3.37Å; G71-I305 WeakPolarHBondContact CA-O 3.31Å
72L98.5Very high98.4Very high14 Ų1443.1 Ų43.17%0.07320%0.202CC..Hα-helixtrans-61.4-43.6175.3173.468000112.3F68 E69 K70 T74 R76 Y96 I97 D100F68-L72 HydrophobicContact CE1-CB 4.37Å; F68-L72 WeakPolarHBondContact O-CB 3.34Å; F68-L72 PolarHBondContact O-N 3.46Å; E69-L72 WeakPolarHBondContact O-CB 3.27Å; E69-L72 PolarHBondContact O-N 3.37Å; K70-L72 VanDerWaalsContact C-N 3.34Å; L72-T74 VanDerWaalsContact C-N 3.29Å; L72-T74 PolarHBondContact O-N 2.72Å; L72-R76 HydrophobicContact CD1-CB 4.5Å; L72-R76 HydrophobicContact CD1-CG 4.01Å; L72-R76 WeakPolarHBondContact O-CA 3.49Å; L72-R76 VanDerWaalsContact O-CB 3.23Å; L72-R76 WeakPolarHBondContact O-CB 3.47Å; L72-R76 PolarHBondContact O-N 3.12Å; L72-Y96 HydrophobicContact CB-CD1 4.29Å; L72-I97 HydrophobicContact CD1-CB 4.37Å; L72-D100 HydrophobicContact CD1-CB 4.32Å; L72-D100 HydrophobicContact CD2-CB 3.93Å
73E98.1Very high98.4Very high132 Ų13240.9 Ų40.962%0.61719%0.194SC*.Hα-helixtrans-58.2-44.1174.5-172.5-164.316800110.9E69 K70E69-E73 PolarHBondContact O-N 2.75Å; K70-E73 IonicContact NZ-OE1 3.17Å; K70-E73 IonicContact NZ-OE2 3.26Å; K70-E73 PolarHBondContact NZ-OE2 3.04Å; K70-E73 PolarHBondContact O-N 2.91Å
74T96.9Very high98.2Very high72 Ų7241.1 Ų41.144%0.44219%0.193SC..Hα-helixtrans-72.6-38.7-175.7-57.20000112.9K70 G71 L72K70-T74 PolarHBondContact O-N 3.32Å; K70-T74 VanDerWaalsContact O-N 3.12Å; K70-T74 PolarHBondContact O-OG1 3.49Å; G71-T74 PolarHBondContact O-N 3.29Å; L72-T74 VanDerWaalsContact C-N 3.29Å; L72-T74 PolarHBondContact O-N 2.72Å
75S98.3Very high97.8Very high8 Ų847.7 Ų47.76%0.05622%0.222CC..Hα-helixtrans-133.129.5-165-80.40000113.5G71 F77 Q78 Y96 G308G71-S75 PolarHBondContact O-N 3.37Å; S75-F77 VanDerWaalsContact C-N 3.31Å; S75-F77 PolarHBondContact O-N 3.32Å; S75-Q78 WeakPolarHBondContact O-CB 3.23Å; S75-Q78 PolarHBondContact O-N 3.3Å; S75-Y96 VanDerWaalsContact O-CD2 3.26Å; S75-Y96 WeakPolarHBondContact O-CD2 3.46Å; S75-G308 VanDerWaalsContact CB-O 3.24Å; S75-G308 WeakPolarHBondContact CB-O 3.46Å; S75-G308 WeakPolarHBondContact OG-CA 3.37Å; S75-G308 PolarHBondContact OG-O 3.08Å
76R98.5Very high97.5Very high117 Ų11748.5 Ų48.544%0.44223%0.231SC..THydrogen-bonded Turntrans-39.3-49.5-171.4-166.2175.8-174.2102.25.4116.4L72 Y96 I97L72-R76 HydrophobicContact CD1-CB 4.5Å; L72-R76 HydrophobicContact CD1-CG 4.01Å; L72-R76 WeakPolarHBondContact O-CA 3.49Å; L72-R76 VanDerWaalsContact O-CB 3.23Å; L72-R76 WeakPolarHBondContact O-CB 3.47Å; L72-R76 PolarHBondContact O-N 3.12Å; R76-Y96 WeakPolarHBondContact O-CB 3.44Å; R76-I97 HydrophobicContact CG-CB 4.19Å; R76-I97 PolarHBondContact O-N 3.38Å
77F98.7Very high96.9Very high146 Ų14652 Ų5264%0.6425%0.245SC*.THydrogen-bonded Turntrans-104.19.3-176.9-55.1-65.3000113.4S75 I97S75-F77 VanDerWaalsContact C-N 3.31Å; S75-F77 PolarHBondContact O-N 3.32Å; F77-I97 HydrophobicContact CD1-CG2 4.15Å; F77-I97 HydrophobicContact CE1-CD1 4.16Å; F77-I97 HydrophobicContact CE1-CG2 4.4Å
78Q98.6Very high96.4Very high112 Ų11259.7 Ų59.752%0.52329%0.286SS..SBendtrans-90156.2176.2-58.7-57.5-54.200110.3S75 C80 T95 Y96S75-Q78 WeakPolarHBondContact O-CB 3.23Å; S75-Q78 PolarHBondContact O-N 3.3Å; Q78-C80 PolarHBondContact O-N 2.69Å; Q78-T95 WeakPolarHBondContact O-CA 3.36Å; Q78-Y96 PolarHBondContact O-N 3.26Å; Q78-Y96 VanDerWaalsContact O-N 3.12Å
79P98.7Very high96.2Very high40 Ų4063.7 Ų63.726%0.2631%0.305SS..EExtended strand (participates in β ladder)trans-54.1134.8171.9-2736.1000112.2W93 K310P79-W93 HydrophobicContact CB-CB 3.95Å; P79-W93 HydrophobicContact CB-CD2 3.76Å; P79-W93 HydrophobicContact CB-CE3 3.64Å; P79-W93 HydrophobicContact CB-CG 3.9Å; P79-W93 HydrophobicContact CB-CZ3 4.44Å; P79-W93 HydrophobicContact CG-CB 4.46Å; P79-W93 HydrophobicContact CG-CG 4.44Å; P79-K310 HydrophobicContact CB-CD 3.93Å; P79-K310 VanDerWaalsContact O-CB 3.26Å; P79-K310 WeakPolarHBondContact O-CB 3.2Å
80C98.9Very high96Very high0 Ų069.1 Ų69.10%033%0.327CS..EExtended strand (participates in β ladder)trans-113.8-63.2177.4-176.20000110.7Q78 L94 Y96 V99 K310 I311Q78-C80 PolarHBondContact O-N 2.69Å; C80-L94 PolarHBondContact N-O 3.28Å; C80-Y96 HydrophobicContact CB-CD1 4.29Å; C80-Y96 HydrophobicContact CB-CD2 3.51Å; C80-Y96 HydrophobicContact CB-CE1 4.48Å; C80-Y96 HydrophobicContact CB-CE2 3.7Å; C80-Y96 HydrophobicContact CB-CG 3.8Å; C80-V99 HydrophobicContact CB-CG2 3.97Å; C80-K310 CarbonylContact O-C 3.58Å; C80-K310 WeakPolarHBondContact O-CA 3.46Å; C80-I311 PolarHBondContact O-N 2.7Å
81L98.8Very high95.9Very high1 Ų168.7 Ų68.71%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-119.1126.2-175.3-56.7179.3000110.3W93 L94 V99 P132 F135 I136 I311 F313L81-W93 WeakPolarHBondContact O-CA 3.49Å; L81-L94 PolarHBondContact N-O 3.18Å; L81-L94 PolarHBondContact O-N 2.89Å; L81-V99 HydrophobicContact CB-CG2 4.28Å; L81-V99 HydrophobicContact CD1-CB 4.49Å; L81-V99 HydrophobicContact CD1-CG1 3.85Å; L81-V99 HydrophobicContact CD1-CG2 3.71Å; L81-V99 HydrophobicContact CG-CG1 4.47Å; L81-V99 HydrophobicContact CG-CG2 3.82Å; L81-P132 HydrophobicContact CB-CB 4.06Å; L81-P132 HydrophobicContact CB-CG 4.32Å; L81-P132 HydrophobicContact CD1-CB 3.95Å; L81-F135 HydrophobicContact CD1-CB 4.02Å; L81-F135 HydrophobicContact CD1-CD1 3.47Å; L81-F135 VanDerWaalsContact CD1-CD1 3.47Å; L81-F135 HydrophobicContact CD1-CE1 4.13Å; L81-F135 HydrophobicContact CD1-CG 3.84Å; L81-F135 HydrophobicContact CD2-CD1 4.02Å; L81-F135 HydrophobicContact CD2-CD2 4.04Å; L81-F135 HydrophobicContact CD2-CE1 4.24Å; L81-F135 HydrophobicContact CD2-CE2 4.24Å; L81-F135 HydrophobicContact CD2-CG 3.92Å; L81-F135 HydrophobicContact CD2-CZ 4.35Å; L81-F135 HydrophobicContact CG-CD1 4.3Å; L81-I136 HydrophobicContact CD1-CG1 4.3Å; L81-I311 CarbonylContact C-O 3.09Å; L81-I311 WeakPolarHBondContact CA-O 3.27Å; L81-I311 HydrophobicContact CD2-CB 4.23Å; L81-I311 HydrophobicContact CD2-CD1 4.47Å; L81-F313 HydrophobicContact CB-CE2 4.16Å; L81-F313 HydrophobicContact CD2-CE2 4Å; L81-F313 HydrophobicContact CD2-CZ 4.22Å; L81-F313 HydrophobicContact CG-CE2 4.5Å
82G98.5Very high95.9Very high0 Ų072.8 Ų72.80%035%0.35CS..EExtended strand (participates in β ladder)trans-120.8138.4-176.900000112.3T92 I311 G312 F313G82-T92 VanDerWaalsContact CA-O 3.27Å; G82-T92 WeakPolarHBondContact CA-O 3.41Å; G82-I311 PolarHBondContact N-O 2.86Å; G82-G312 CarbonylContact O-C 3.52Å; G82-G312 WeakPolarHBondContact O-CA 3.38Å; G82-F313 WeakPolarHBondContact O-CD2 3.45Å; G82-F313 PolarHBondContact O-N 3.26Å
83R97.3Very high95.9Very high54 Ų5475.1 Ų75.120%0.20436%0.358CS..EExtended strand (participates in β ladder)trans-134.2166.5170.476.4175.671.11796.2111.4F85 Y91 T92 P132 E133R83-F85 HydrophobicContact CG-CE2 4.43Å; R83-F85 HydrophobicContact CG-CZ 4.24Å; R83-Y91 CarbonylContact O-C 3.57Å; R83-Y91 VanDerWaalsContact O-CA 3.31Å; R83-Y91 WeakPolarHBondContact O-CA 3.33Å; R83-T92 PolarHBondContact N-O 3.48Å; R83-T92 PolarHBondContact O-N 3.45Å; R83-P132 HydrophobicContact CB-CG 4.3Å; R83-P132 VanDerWaalsContact NH2-CB 3.32Å; R83-P132 VanDerWaalsContact NH2-CG 3.27Å; R83-E133 IonicContact CZ-OE1 3.02Å; R83-E133 IonicContact CZ-OE2 3.03Å; R83-E133 VanDerWaalsContact CZ-OE2 3.25Å; R83-E133 IonicContact NH1-OE1 2.75Å; R83-E133 PolarHBondContact NH1-OE1 3.15Å; R83-E133 IonicContact NH1-OE2 3.74Å; R83-E133 PolarHBondContact NH1-OE2 3.43Å; R83-E133 IonicContact NH2-OE1 2.61Å; R83-E133 PolarHBondContact NH2-OE1 2.91Å; R83-E133 IonicContact NH2-OE2 2.72Å; R83-E133 PolarHBondContact NH2-OE2 3.26Å
84R94.4Very high95.9Very high15 Ų1570.6 Ų70.66%0.05734%0.338CS..  trans-134.1137.1171.6175171.468.7170.2-0.6108.9S86 Q87 E89 Y91 T315 A323 D324 S327R84-S86 WeakPolarHBondContact CD-O 3.46Å; R84-S86 WeakPolarHBondContact CG-O 3.42Å; R84-Q87 PolarHBondContact NH1-O 2.88Å; R84-E89 WeakPolarHBondContact CD-O 3.47Å; R84-E89 HydrophobicContact CG-CB 4.02Å; R84-Y91 HydrophobicContact CB-CD2 4.31Å; R84-Y91 HydrophobicContact CB-CE2 4.33Å; R84-Y91 HydrophobicContact CB-CG 4.48Å; R84-T315 HydrophobicContact CG-CG2 4.47Å; R84-T315 PolarHBondContact NE-OG1 2.88Å; R84-T315 PolarHBondContact NH2-OG1 2.88Å; R84-A323 PolarHBondContact NH2-O 2.69Å; R84-D324 IonicContact CZ-OD1 3.55Å; R84-D324 IonicContact NE-OD1 3.9Å; R84-D324 PolarHBondContact NE-OD1 3.5Å; R84-D324 IonicContact NH2-OD1 3.49Å; R84-D324 PolarHBondContact NH2-OD1 3.34Å; R84-S327 VanDerWaalsContact NH1-CB 3.29Å; R84-S327 PolarHBondContact NH1-OG 2.94Å
85F90.8Very high96Very high139 Ų13968.7 Ų68.761%0.6133%0.326SS*.SBendtrans-89.2-25.4-176-61.2-80.1000113.3R83R83-F85 HydrophobicContact CG-CE2 4.43Å; R83-F85 HydrophobicContact CG-CZ 4.24Å
86S92.2Very high96.1Very high41 Ų4168.3 Ų68.329%0.28732%0.324SS..SBendtrans-145.6153.4173.673.80000111R84 N88 E89R84-S86 WeakPolarHBondContact CD-O 3.46Å; R84-S86 WeakPolarHBondContact CG-O 3.42Å; S86-N88 PolarHBondContact O-N 3.1Å; S86-E89 PolarHBondContact O-N 2.95Å; S86-E89 VanDerWaalsContact OG-CD 3.28Å; S86-E89 WeakPolarHBondContact OG-CG 3.44Å; S86-E89 PolarHBondContact OG-OE1 3.26Å
87Q86.6Confident96.1Very high97 Ų9764.6 Ų64.645%0.45331%0.312SS..THydrogen-bonded Turntrans-60-17.3-177-70.8-174.4-5.500114.2R84 T315R84-Q87 PolarHBondContact NH1-O 2.88Å; Q87-T315 HydrophobicContact CG-CG2 4.36Å
88N87.9Confident96.1Very high162 Ų16261.7 Ų61.787%0.86630%0.3SS*.THydrogen-bonded Turntrans-88-10.5179.7-63.2-30.1000113.5S86S86-N88 PolarHBondContact O-N 3.1Å
89E92.8Very high96.1Very high89 Ų8956.3 Ų56.342%0.41628%0.275SS..SBendtrans-91.7170.6-178.5-75.5166.2-130.800112.7R84 S86R84-E89 WeakPolarHBondContact CD-O 3.47Å; R84-E89 HydrophobicContact CG-CB 4.02Å; S86-E89 PolarHBondContact O-N 2.95Å; S86-E89 VanDerWaalsContact OG-CD 3.28Å; S86-E89 WeakPolarHBondContact OG-CG 3.44Å; S86-E89 PolarHBondContact OG-OE1 3.26Å
90K94.7Very high96.1Very high180 Ų18055.6 Ų55.678%0.78327%0.269SS*.PPolyproline II helixtrans-91.2159.7170.2-66.8179.8-178.3172.90109.7T92K90-T92 PolarHBondContact O-N 2.96Å
91Y97.3Very high96.1Very high23 Ų2359.3 Ų59.39%0.0929%0.289CS..PPolyproline II helixtrans-64.3126.1169.2-85-103000110.7R83 R84 W93 F313 D324 L328R83-Y91 CarbonylContact O-C 3.57Å; R83-Y91 VanDerWaalsContact O-CA 3.31Å; R83-Y91 WeakPolarHBondContact O-CA 3.33Å; R84-Y91 HydrophobicContact CB-CD2 4.31Å; R84-Y91 HydrophobicContact CB-CE2 4.33Å; R84-Y91 HydrophobicContact CB-CG 4.48Å; Y91-W93 HydrophobicContact CD1-CZ2 4.33Å; Y91-W93 HydrophobicContact CG-CZ2 4.42Å; Y91-W93 PolarHBondContact O-NE1 2.86Å; Y91-F313 WeakPolarHBondContact CE1-O 3.12Å; Y91-F313 PolarHBondContact OH-O 2.84Å; Y91-D324 PolarHBondContact OH-OD1 3.24Å; Y91-L328 HydrophobicContact CD1-CD1 3.97Å; Y91-L328 HydrophobicContact CD2-CB 4.3Å; Y91-L328 HydrophobicContact CD2-CD1 4.26Å; Y91-L328 HydrophobicContact CE1-CD1 3.93Å; Y91-L328 HydrophobicContact CE2-CB 3.73Å; Y91-L328 HydrophobicContact CE2-CD1 4.24Å; Y91-L328 HydrophobicContact CE2-CG 4.5Å; Y91-L328 HydrophobicContact CG-CD1 4.14Å
92T97.9Very high96.1Very high86 Ų8661.7 Ų61.753%0.52830%0.299SS..EExtended strand (participates in β ladder)trans-94.6138.9166.7-59.20000108.4G82 R83 K90G82-T92 VanDerWaalsContact CA-O 3.27Å; G82-T92 WeakPolarHBondContact CA-O 3.41Å; R83-T92 PolarHBondContact N-O 3.48Å; R83-T92 PolarHBondContact O-N 3.45Å; K90-T92 PolarHBondContact O-N 2.96Å
93W98.6Very high96.1Very high63 Ų6361.8 Ų61.824%0.23930%0.3CS..EExtended strand (participates in β ladder)trans-121.4135.9-169.5-65.888.1000111.7P79 L81 Y91 K310 I311 L328P79-W93 HydrophobicContact CB-CB 3.95Å; P79-W93 HydrophobicContact CB-CD2 3.76Å; P79-W93 HydrophobicContact CB-CE3 3.64Å; P79-W93 HydrophobicContact CB-CG 3.9Å; P79-W93 HydrophobicContact CB-CZ3 4.44Å; P79-W93 HydrophobicContact CG-CB 4.46Å; P79-W93 HydrophobicContact CG-CG 4.44Å; L81-W93 WeakPolarHBondContact O-CA 3.49Å; Y91-W93 HydrophobicContact CD1-CZ2 4.33Å; Y91-W93 HydrophobicContact CG-CZ2 4.42Å; Y91-W93 PolarHBondContact O-NE1 2.86Å; W93-K310 HydrophobicContact CE3-CB 4.4Å; W93-K310 HydrophobicContact CE3-CD 4.2Å; W93-K310 HydrophobicContact CH2-CB 4.25Å; W93-K310 HydrophobicContact CH2-CD 3.61Å; W93-K310 HydrophobicContact CH2-CG 3.78Å; W93-K310 HydrophobicContact CZ2-CD 4.07Å; W93-K310 HydrophobicContact CZ3-CB 3.7Å; W93-K310 HydrophobicContact CZ3-CD 3.68Å; W93-K310 HydrophobicContact CZ3-CG 3.76Å; W93-I311 WeakPolarHBondContact CZ3-O 3.35Å; W93-L328 HydrophobicContact CH2-CD1 3.66Å; W93-L328 HydrophobicContact CZ2-CD1 3.58Å
94L98.8Very high96.2Very high38 Ų3860 Ų6020%0.19929%0.294CS..EExtended strand (participates in β ladder)trans-88134.4158-60.5173.8000108.5C80 L81 E98 V99 K102 P132 I136C80-L94 PolarHBondContact N-O 3.28Å; L81-L94 PolarHBondContact N-O 3.18Å; L81-L94 PolarHBondContact O-N 2.89Å; L94-E98 HydrophobicContact CB-CB 4.44Å; L94-E98 HydrophobicContact CD2-CB 4.39Å; L94-V99 HydrophobicContact CB-CG2 3.65Å; L94-V99 HydrophobicContact CD1-CG2 4.22Å; L94-K102 HydrophobicContact CD1-CD 4.18Å; L94-P132 HydrophobicContact CD1-CB 4.44Å; L94-I136 HydrophobicContact CD1-CD1 4.25Å
95T98.9Very high96.4Very high32 Ų3259.4 Ų59.420%0.19629%0.292CS..EExtended strand (participates in β ladder)trans-73.6162.517059.80000111.4Q78 I97 E98 V99Q78-T95 WeakPolarHBondContact O-CA 3.36Å; T95-I97 VanDerWaalsContact C-N 3.26Å; T95-I97 PolarHBondContact O-N 3.21Å; T95-I97 WeakPolarHBondContact OG1-CG2 3.46Å; T95-E98 WeakPolarHBondContact CB-OE2 3.49Å; T95-E98 WeakPolarHBondContact CG2-OE2 3.25Å; T95-E98 PolarHBondContact N-OE2 3.15Å; T95-E98 PolarHBondContact O-N 3.18Å; T95-E98 VanDerWaalsContact OG1-CD 3.28Å; T95-E98 VanDerWaalsContact OG1-CG 3.3Å; T95-E98 WeakPolarHBondContact OG1-CG 3.39Å; T95-E98 PolarHBondContact OG1-N 3.36Å; T95-E98 PolarHBondContact OG1-OE2 2.84Å; T95-V99 VanDerWaalsContact O-CG2 3.32Å; T95-V99 WeakPolarHBondContact O-CG2 3.28Å; T95-V99 PolarHBondContact O-N 3.02Å
96Y98.9Very high96.8Very high0 Ų052.8 Ų52.80%026%0.263CS..Hα-helixtrans-54.8-42177.1-88.7-95.4000112.7F68 L72 S75 R76 Q78 C80 V99 D100 I305 G308 A309F68-Y96 HydrophobicContact CE2-CD1 4.29Å; F68-Y96 HydrophobicContact CZ-CD1 4.32Å; L72-Y96 HydrophobicContact CB-CD1 4.29Å; S75-Y96 VanDerWaalsContact O-CD2 3.26Å; S75-Y96 WeakPolarHBondContact O-CD2 3.46Å; R76-Y96 WeakPolarHBondContact O-CB 3.44Å; Q78-Y96 PolarHBondContact O-N 3.26Å; Q78-Y96 VanDerWaalsContact O-N 3.12Å; C80-Y96 HydrophobicContact CB-CD1 4.29Å; C80-Y96 HydrophobicContact CB-CD2 3.51Å; C80-Y96 HydrophobicContact CB-CE1 4.48Å; C80-Y96 HydrophobicContact CB-CE2 3.7Å; C80-Y96 HydrophobicContact CB-CG 3.8Å; Y96-V99 PolarHBondContact O-N 2.78Å; Y96-D100 PolarHBondContact O-N 3.43Å; Y96-I305 HydrophobicContact CE1-CD1 4.4Å; Y96-I305 HydrophobicContact CE1-CG2 4.29Å; Y96-I305 PolarHBondContact OH-O 2.76Å; Y96-G308 VanDerWaalsContact OH-C 3.26Å; Y96-G308 WeakPolarHBondContact OH-CA 3.21Å; Y96-A309 WeakPolarHBondContact CE2-O 3.5Å; Y96-A309 PolarHBondContact OH-N 3.15Å; Y96-A309 PolarHBondContact OH-O 3.45Å
97I98.8Very high97.1Very high39 Ų3950.8 Ų50.820%0.225%0.249CC..Hα-helixtrans-65.2-41.8178-169.5172000112.5L72 R76 F77 T95 V99 D100 D101L72-I97 HydrophobicContact CD1-CB 4.37Å; R76-I97 HydrophobicContact CG-CB 4.19Å; R76-I97 PolarHBondContact O-N 3.38Å; F77-I97 HydrophobicContact CD1-CG2 4.15Å; F77-I97 HydrophobicContact CE1-CD1 4.16Å; F77-I97 HydrophobicContact CE1-CG2 4.4Å; T95-I97 VanDerWaalsContact C-N 3.26Å; T95-I97 PolarHBondContact O-N 3.21Å; T95-I97 WeakPolarHBondContact OG1-CG2 3.46Å; I97-V99 VanDerWaalsContact C-N 3.3Å; I97-V99 PolarHBondContact O-N 3.49Å; I97-D100 WeakPolarHBondContact O-CB 3.26Å; I97-D100 PolarHBondContact O-N 2.9Å; I97-D100 VanDerWaalsContact O-N 3.17Å; I97-D101 VanDerWaalsContact O-CG 3.3Å; I97-D101 PolarHBondContact O-N 2.99Å
98E98.8Very high97.6Very high84 Ų8446.2 Ų46.239%0.39323%0.228SC..Hα-helixtrans-66.6-34.1176.6-69.8165133.200112L94 T95 K102L94-E98 HydrophobicContact CB-CB 4.44Å; L94-E98 HydrophobicContact CD2-CB 4.39Å; T95-E98 WeakPolarHBondContact CB-OE2 3.49Å; T95-E98 WeakPolarHBondContact CG2-OE2 3.25Å; T95-E98 PolarHBondContact N-OE2 3.15Å; T95-E98 PolarHBondContact O-N 3.18Å; T95-E98 VanDerWaalsContact OG1-CD 3.28Å; T95-E98 VanDerWaalsContact OG1-CG 3.3Å; T95-E98 WeakPolarHBondContact OG1-CG 3.39Å; T95-E98 PolarHBondContact OG1-N 3.36Å; T95-E98 PolarHBondContact OG1-OE2 2.84Å; E98-K102 WeakPolarHBondContact O-CG 3.31Å; E98-K102 PolarHBondContact O-N 3.15Å; E98-K102 VanDerWaalsContact O-N 3.13Å
99V98.9Very high98.1Very high0 Ų038.5 Ų38.50%019%0.186CC..Hα-helixtrans-67-41.8172.9176.30000110.3F68 C80 L81 L94 T95 Y96 I97 K102 I103 F135 I136F68-V99 HydrophobicContact CE2-CB 4.43Å; F68-V99 HydrophobicContact CE2-CG1 3.7Å; F68-V99 HydrophobicContact CZ-CB 4Å; F68-V99 HydrophobicContact CZ-CG1 3.6Å; C80-V99 HydrophobicContact CB-CG2 3.97Å; L81-V99 HydrophobicContact CB-CG2 4.28Å; L81-V99 HydrophobicContact CD1-CB 4.49Å; L81-V99 HydrophobicContact CD1-CG1 3.85Å; L81-V99 HydrophobicContact CD1-CG2 3.71Å; L81-V99 HydrophobicContact CG-CG1 4.47Å; L81-V99 HydrophobicContact CG-CG2 3.82Å; L94-V99 HydrophobicContact CB-CG2 3.65Å; L94-V99 HydrophobicContact CD1-CG2 4.22Å; T95-V99 VanDerWaalsContact O-CG2 3.32Å; T95-V99 WeakPolarHBondContact O-CG2 3.28Å; T95-V99 PolarHBondContact O-N 3.02Å; Y96-V99 PolarHBondContact O-N 2.78Å; I97-V99 VanDerWaalsContact C-N 3.3Å; I97-V99 PolarHBondContact O-N 3.49Å; V99-K102 PolarHBondContact O-N 2.89Å; V99-I103 HydrophobicContact CG1-CD1 3.87Å; V99-I103 HydrophobicContact CG1-CG1 4.41Å; V99-I103 VanDerWaalsContact O-CG1 3.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.46Å; V99-I103 PolarHBondContact O-N 3.15Å; V99-F135 HydrophobicContact CG1-CD1 4.3Å; V99-F135 HydrophobicContact CG1-CE1 4.09Å; V99-I136 HydrophobicContact CG1-CG1 4.17Å
100D98.8Very high98.4Very high24 Ų2434.2 Ų34.213%0.12817%0.167CC..Hα-helixtrans-61.8-43.8176.4-162.461.6000112.5F68 L72 Y96 I97 K102 I103 Q104 K233F68-D100 HydrophobicContact CE1-CB 3.87Å; F68-D100 VanDerWaalsContact CE1-OD1 3.32Å; F68-D100 WeakPolarHBondContact CE1-OD1 3.26Å; F68-D100 HydrophobicContact CZ-CB 4.42Å; L72-D100 HydrophobicContact CD1-CB 4.32Å; L72-D100 HydrophobicContact CD2-CB 3.93Å; Y96-D100 PolarHBondContact O-N 3.43Å; I97-D100 WeakPolarHBondContact O-CB 3.26Å; I97-D100 PolarHBondContact O-N 2.9Å; I97-D100 VanDerWaalsContact O-N 3.17Å; D100-K102 VanDerWaalsContact C-N 3.29Å; D100-K102 PolarHBondContact O-N 3.28Å; D100-I103 WeakPolarHBondContact O-CB 3.32Å; D100-I103 PolarHBondContact O-N 2.91Å; D100-Q104 WeakPolarHBondContact O-CB 3.47Å; D100-Q104 PolarHBondContact O-N 3.29Å; D100-K233 IonicContact OD1-NZ 3.32Å; D100-K233 PolarHBondContact OD1-NZ 3.38Å; D100-K233 IonicContact OD2-NZ 2.72Å; D100-K233 PolarHBondContact OD2-NZ 3.3Å
101D98.7Very high98.4Very high78 Ų7827.9 Ų27.942%0.41714%0.143SC..Hα-helixtrans-60-40.4176-70.9-21.6000111.2I97 Q104 A105 F227I97-D101 VanDerWaalsContact O-CG 3.3Å; I97-D101 PolarHBondContact O-N 2.99Å; D101-Q104 PolarHBondContact O-N 3.22Å; D101-A105 WeakPolarHBondContact O-CB 3.08Å; D101-A105 PolarHBondContact O-N 2.73Å; D101-F227 HydrophobicContact CB-CE1 4.24Å
102K98.9Very high98.4Very high51 Ų5130.8 Ų30.822%0.22216%0.156CC..Hα-helixtrans-72.7-35.7176.3-71.3-178178.5-66.80112.9L94 E98 V99 D100 Q104 A105 F106 I136 L223 F227L94-K102 HydrophobicContact CD1-CD 4.18Å; E98-K102 WeakPolarHBondContact O-CG 3.31Å; E98-K102 PolarHBondContact O-N 3.15Å; E98-K102 VanDerWaalsContact O-N 3.13Å; V99-K102 PolarHBondContact O-N 2.89Å; D100-K102 VanDerWaalsContact C-N 3.29Å; D100-K102 PolarHBondContact O-N 3.28Å; K102-Q104 VanDerWaalsContact C-N 3.33Å; K102-A105 PolarHBondContact O-N 3.49Å; K102-F106 WeakPolarHBondContact O-CB 3.33Å; K102-F106 PolarHBondContact O-N 3.04Å; K102-I136 HydrophobicContact CB-CD1 3.87Å; K102-I136 HydrophobicContact CB-CG1 4.29Å; K102-I136 HydrophobicContact CB-CG2 3.9Å; K102-I136 HydrophobicContact CD-CD1 3.75Å; K102-I136 HydrophobicContact CG-CD1 4.47Å; K102-L223 HydrophobicContact CB-CD1 4.45Å; K102-L223 HydrophobicContact CD-CD1 4.16Å; K102-L223 HydrophobicContact CG-CD1 4.02Å; K102-F227 HydrophobicContact CG-CZ 4.48Å
103I98.8Very high98.3Very high3 Ų327.6 Ų27.62%0.01514%0.136CC..Hα-helixtrans-60-47.6171.7-76.6165.9000109.7F68 V99 D100 G107 I136 H139 A140 A143F68-I103 HydrophobicContact CD1-CD1 3.96Å; F68-I103 HydrophobicContact CD2-CD1 4.16Å; F68-I103 HydrophobicContact CE1-CD1 3.7Å; F68-I103 HydrophobicContact CE2-CD1 3.92Å; F68-I103 HydrophobicContact CG-CD1 4.2Å; F68-I103 HydrophobicContact CZ-CD1 3.68Å; V99-I103 HydrophobicContact CG1-CD1 3.87Å; V99-I103 HydrophobicContact CG1-CG1 4.41Å; V99-I103 VanDerWaalsContact O-CG1 3.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.46Å; V99-I103 PolarHBondContact O-N 3.15Å; D100-I103 WeakPolarHBondContact O-CB 3.32Å; D100-I103 PolarHBondContact O-N 2.91Å; I103-G107 PolarHBondContact O-N 3.41Å; I103-I136 HydrophobicContact CG1-CG2 4.27Å; I103-H139 HydrophobicContact CD1-CB 3.55Å; I103-H139 HydrophobicContact CG1-CB 3.91Å; I103-A140 HydrophobicContact CG2-CB 4.27Å; I103-A140 VanDerWaalsContact O-CB 3.31Å; I103-A140 WeakPolarHBondContact O-CB 3.08Å; I103-A143 HydrophobicContact CG2-CB 4.49Å
104Q98.7Very high98Very high17 Ų1724.9 Ų24.98%0.07913%0.127CC..Hα-helixtrans-59.5-48.7176.817658.327.300111.4D100 D101 K102 S108 Y144 I231D100-Q104 WeakPolarHBondContact O-CB 3.47Å; D100-Q104 PolarHBondContact O-N 3.29Å; D101-Q104 PolarHBondContact O-N 3.22Å; K102-Q104 VanDerWaalsContact C-N 3.33Å; Q104-S108 PolarHBondContact NE2-OG 3.38Å; Q104-S108 VanDerWaalsContact O-CB 3.25Å; Q104-S108 WeakPolarHBondContact O-CB 3.02Å; Q104-S108 PolarHBondContact O-N 3.28Å; Q104-S108 PolarHBondContact O-OG 3.39Å; Q104-Y144 PolarHBondContact NE2-OH 2.67Å; Q104-Y144 PolarHBondContact O-OH 2.71Å; Q104-Y144 PolarHBondContact OE1-OH 2.85Å; Q104-I231 PolarHBondContact NE2-O 3.16Å
105A98.8Very high97.4Very high1 Ų126.8 Ų26.81%0.00814%0.143CC..Hα-helixtrans-62.5-50.817800000111.9D101 K102 G107 S108 A109 L223 G226 F227D101-A105 WeakPolarHBondContact O-CB 3.08Å; D101-A105 PolarHBondContact O-N 2.73Å; K102-A105 PolarHBondContact O-N 3.49Å; A105-G107 PolarHBondContact O-N 2.98Å; A105-S108 WeakPolarHBondContact O-CB 3.42Å; A105-S108 PolarHBondContact O-N 3.37Å; A105-A109 WeakPolarHBondContact O-CB 3.28Å; A105-A109 PolarHBondContact O-N 2.89Å; A105-L223 HydrophobicContact CB-CB 4.48Å; A105-L223 HydrophobicContact CB-CD2 4.04Å; A105-G226 WeakPolarHBondContact O-CA 3.17Å; A105-F227 HydrophobicContact CB-CD1 3.86Å; A105-F227 HydrophobicContact CB-CD2 3.92Å; A105-F227 HydrophobicContact CB-CE1 3.77Å; A105-F227 HydrophobicContact CB-CE2 3.85Å; A105-F227 HydrophobicContact CB-CG 3.92Å; A105-F227 HydrophobicContact CB-CZ 3.77Å
106F98.8Very high96.7Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-58.6-46.9-179.6-171.1-81.3000111.8K102 A109 L110 I136 A137 A140 V173 I195 F219 F222 L223K102-F106 WeakPolarHBondContact O-CB 3.33Å; K102-F106 PolarHBondContact O-N 3.04Å; F106-A109 PolarHBondContact O-N 3.46Å; F106-L110 HydrophobicContact CE1-CD2 4.5Å; F106-L110 WeakPolarHBondContact O-CB 3.42Å; F106-L110 PolarHBondContact O-N 3.19Å; F106-I136 HydrophobicContact CB-CG2 4.24Å; F106-A137 HydrophobicContact CD1-CB 4.36Å; F106-A137 HydrophobicContact CD2-CB 4.44Å; F106-A137 HydrophobicContact CE1-CB 3.87Å; F106-A137 HydrophobicContact CE2-CB 3.97Å; F106-A137 HydrophobicContact CZ-CB 3.66Å; F106-A140 HydrophobicContact CB-CB 3.87Å; F106-A140 HydrophobicContact CD1-CB 3.56Å; F106-A140 HydrophobicContact CG-CB 4.11Å; F106-V173 HydrophobicContact CZ-CG2 3.85Å; F106-I195 HydrophobicContact CE2-CG2 4.19Å; F106-F219 HydrophobicContact CD2-CD2 4.17Å; F106-F219 AromaticContact CD2-CE2 3.47Å; F106-F219 HydrophobicContact CD2-CE2 3.47Å; F106-F219 VanDerWaalsContact CD2-CE2 3.47Å; F106-F219 AromaticContact CD2-CZ 3.72Å; F106-F219 HydrophobicContact CD2-CZ 3.72Å; F106-F219 AromaticContact CE2-CD2 3.87Å; F106-F219 HydrophobicContact CE2-CD2 3.87Å; F106-F219 AromaticContact CE2-CE2 3.39Å; F106-F219 HydrophobicContact CE2-CE2 3.39Å; F106-F219 HydrophobicContact CE2-CZ 4.14Å; F106-F222 AromaticContact CD2-CD1 3.87Å; F106-F222 HydrophobicContact CD2-CD1 3.87Å; F106-F222 HydrophobicContact CD2-CE1 4.33Å; F106-F222 HydrophobicContact CE1-CE1 4.34Å; F106-F222 AromaticContact CE2-CD1 3.82Å; F106-F222 HydrophobicContact CE2-CD1 3.82Å; F106-F222 HydrophobicContact CE2-CE1 4.15Å; F106-F222 HydrophobicContact CG-CD1 4.37Å; F106-F222 HydrophobicContact CZ-CD1 4.29Å; F106-F222 HydrophobicContact CZ-CE1 4.15Å; F106-L223 HydrophobicContact CB-CD2 3.77Å; F106-L223 HydrophobicContact CD2-CD2 4.28Å
107G98.3Very high96.1Very high0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-65.6-39.617900000112.9I103 A105 A109 L110 V111I103-G107 PolarHBondContact O-N 3.41Å; A105-G107 PolarHBondContact O-N 2.98Å; G107-A109 VanDerWaalsContact C-N 3.34Å; G107-A109 PolarHBondContact O-N 2.8Å; G107-L110 PolarHBondContact O-N 2.78Å; G107-V111 WeakPolarHBondContact O-CG2 3.49Å; G107-V111 PolarHBondContact O-N 3.25Å
108S98.5Very high95.1Very high0 Ų037.4 Ų37.40%020%0.199CC..Hα-helixtrans-59.9-43.4173-67.70000112.1Q104 A105 K112 Y144 I231Q104-S108 PolarHBondContact NE2-OG 3.38Å; Q104-S108 VanDerWaalsContact O-CB 3.25Å; Q104-S108 WeakPolarHBondContact O-CB 3.02Å; Q104-S108 PolarHBondContact O-N 3.28Å; Q104-S108 PolarHBondContact O-OG 3.39Å; A105-S108 WeakPolarHBondContact O-CB 3.42Å; A105-S108 PolarHBondContact O-N 3.37Å; S108-K112 VanDerWaalsContact O-CB 3.28Å; S108-K112 WeakPolarHBondContact O-CB 3.38Å; S108-K112 PolarHBondContact O-N 3.06Å; S108-Y144 PolarHBondContact OG-OH 2.97Å; S108-I231 PolarHBondContact OG-N 2.91Å; S108-I231 PolarHBondContact OG-O 3.39Å
109A98.5Very high94.3Very high0 Ų034.7 Ų34.70%019%0.185CC..Hα-helixtrans-65.4-41.5176.400000111.5A105 F106 G107 K112 V113 F222 I225A105-A109 WeakPolarHBondContact O-CB 3.28Å; A105-A109 PolarHBondContact O-N 2.89Å; F106-A109 PolarHBondContact O-N 3.46Å; G107-A109 VanDerWaalsContact C-N 3.34Å; G107-A109 PolarHBondContact O-N 2.8Å; A109-K112 PolarHBondContact O-N 2.82Å; A109-V113 WeakPolarHBondContact O-CB 3.1Å; A109-V113 VanDerWaalsContact O-CG2 3.29Å; A109-V113 WeakPolarHBondContact O-CG2 3.44Å; A109-V113 PolarHBondContact O-N 2.87Å; A109-F222 HydrophobicContact CB-CD1 3.51Å; A109-F222 HydrophobicContact CB-CD2 4.26Å; A109-F222 HydrophobicContact CB-CE1 3.46Å; A109-F222 VanDerWaalsContact CB-CE1 3.46Å; A109-F222 HydrophobicContact CB-CE2 4.22Å; A109-F222 HydrophobicContact CB-CG 3.94Å; A109-F222 HydrophobicContact CB-CZ 3.84Å; A109-F222 WeakPolarHBondContact CB-O 3.36Å; A109-I225 HydrophobicContact CB-CB 4.17Å; A109-I225 HydrophobicContact CB-CG2 4.15Å
110L97.3Very high93Very high0 Ų037.3 Ų37.30%020%0.203CC..Hα-helixtrans-59.7-52.3177.2-172.661.9000111.4F106 G107 K112 V113 A114 V124 F146 V171 F222F106-L110 HydrophobicContact CE1-CD2 4.5Å; F106-L110 WeakPolarHBondContact O-CB 3.42Å; F106-L110 PolarHBondContact O-N 3.19Å; G107-L110 PolarHBondContact O-N 2.78Å; L110-K112 VanDerWaalsContact C-N 3.29Å; L110-K112 PolarHBondContact O-N 2.89Å; L110-V113 PolarHBondContact O-N 2.92Å; L110-A114 HydrophobicContact CD1-CB 4.23Å; L110-A114 WeakPolarHBondContact O-CA 3.22Å; L110-A114 WeakPolarHBondContact O-CB 3.36Å; L110-A114 PolarHBondContact O-N 2.77Å; L110-V124 HydrophobicContact CD1-CG2 4.43Å; L110-V124 HydrophobicContact CD2-CG2 3.96Å; L110-F146 HydrophobicContact CD2-CB 4.22Å; L110-F146 HydrophobicContact CD2-CD1 4.08Å; L110-F146 HydrophobicContact CD2-CD2 3.41Å; L110-F146 VanDerWaalsContact CD2-CD2 3.41Å; L110-F146 HydrophobicContact CD2-CE1 4.34Å; L110-F146 HydrophobicContact CD2-CE2 3.68Å; L110-F146 HydrophobicContact CD2-CG 3.64Å; L110-F146 HydrophobicContact CD2-CZ 4.15Å; L110-F146 HydrophobicContact CG-CD2 4.19Å; L110-F146 HydrophobicContact CG-CE1 4.37Å; L110-F146 HydrophobicContact CG-CE2 3.94Å; L110-F146 HydrophobicContact CG-CG 4.5Å; L110-F146 HydrophobicContact CG-CZ 4.05Å; L110-V171 HydrophobicContact CD1-CG1 4.11Å; L110-F222 HydrophobicContact CB-CE1 4.19Å; L110-F222 HydrophobicContact CB-CZ 4.3Å; L110-F222 HydrophobicContact CD1-CZ 4.38Å
111V96.1Very high92.2Very high46 Ų4639.9 Ų39.928%0.27922%0.217SC..Hα-helixtrans-57.7-43.8175.3173.50000111G107 C115 Y144 F146 I231G107-V111 WeakPolarHBondContact O-CG2 3.49Å; G107-V111 PolarHBondContact O-N 3.25Å; V111-C115 VanDerWaalsContact O-CB 3.24Å; V111-C115 WeakPolarHBondContact O-CB 3.39Å; V111-C115 PolarHBondContact O-N 2.95Å; V111-Y144 HydrophobicContact CG2-CD1 3.62Å; V111-Y144 HydrophobicContact CG2-CE1 4.28Å; V111-Y144 HydrophobicContact CG2-CG 4.46Å; V111-F146 HydrophobicContact CG2-CE2 3.93Å; V111-F146 HydrophobicContact CG2-CZ 4.16Å; V111-I231 HydrophobicContact CB-CD1 3.94Å; V111-I231 HydrophobicContact CG1-CD1 3.71Å
112K96.2Very high91.8Very high84 Ų8439.5 Ų39.537%0.36522%0.215SC..Hα-helixtrans-69.6-39.8-175.9179.562.6-170.8179.80113.8S108 A109 L110 C115 I225 Y229 I231S108-K112 VanDerWaalsContact O-CB 3.28Å; S108-K112 WeakPolarHBondContact O-CB 3.38Å; S108-K112 PolarHBondContact O-N 3.06Å; A109-K112 PolarHBondContact O-N 2.82Å; L110-K112 VanDerWaalsContact C-N 3.29Å; L110-K112 PolarHBondContact O-N 2.89Å; K112-C115 PolarHBondContact O-SG 3.31Å; K112-I225 HydrophobicContact CG-CG2 4.45Å; K112-Y229 HydrophobicContact CB-CD2 4.3Å; K112-Y229 HydrophobicContact CD-CD1 4.07Å; K112-Y229 HydrophobicContact CD-CD2 4.24Å; K112-Y229 HydrophobicContact CD-CE1 3.95Å; K112-Y229 HydrophobicContact CD-CE2 4.14Å; K112-Y229 HydrophobicContact CD-CG 4.22Å; K112-Y229 VanDerWaalsContact CE-CZ 3.43Å; K112-Y229 WeakPolarHBondContact CE-OH 3.43Å; K112-Y229 HydrophobicContact CG-CD1 4.39Å; K112-Y229 HydrophobicContact CG-CD2 3.66Å; K112-Y229 HydrophobicContact CG-CE1 4.37Å; K112-Y229 HydrophobicContact CG-CE2 3.66Å; K112-Y229 HydrophobicContact CG-CG 4.05Å; K112-I231 HydrophobicContact CB-CD1 4.36Å
113V95.5Very high91.6Very high20 Ų2037.2 Ų37.212%0.12121%0.205CC..Hα-helixtrans-88.6-36.4-174.11800000110.8A109 L110 L193 Y217 F222 I225A109-V113 WeakPolarHBondContact O-CB 3.1Å; A109-V113 VanDerWaalsContact O-CG2 3.29Å; A109-V113 WeakPolarHBondContact O-CG2 3.44Å; A109-V113 PolarHBondContact O-N 2.87Å; L110-V113 PolarHBondContact O-N 2.92Å; V113-L193 HydrophobicContact CB-CD2 4.39Å; V113-L193 HydrophobicContact CG1-CD1 3.95Å; V113-L193 HydrophobicContact CG1-CD2 3.85Å; V113-Y217 HydrophobicContact CG1-CE2 4.04Å; V113-F222 HydrophobicContact CB-CE2 4.02Å; V113-F222 HydrophobicContact CB-CZ 4.44Å; V113-F222 HydrophobicContact CG1-CE2 4.28Å; V113-F222 HydrophobicContact CG2-CE2 3.92Å; V113-I225 HydrophobicContact CG2-CD1 4.12Å; V113-I225 HydrophobicContact CG2-CG2 4.18Å
114A92.4Very high91.5Very high6 Ų637 Ų375%0.0520%0.204CC..Hα-helixtrans-85.8-6.2-178.900000114.1L110 H116 I117 W119L110-A114 HydrophobicContact CD1-CB 4.23Å; L110-A114 WeakPolarHBondContact O-CA 3.22Å; L110-A114 WeakPolarHBondContact O-CB 3.36Å; L110-A114 PolarHBondContact O-N 2.77Å; A114-H116 PolarHBondContact O-N 3.11Å; A114-I117 HydrophobicContact CB-CD1 3.91Å; A114-I117 HydrophobicContact CB-CG1 4.42Å; A114-I117 WeakPolarHBondContact O-CB 3.44Å; A114-I117 PolarHBondContact O-N 2.83Å; A114-W119 HydrophobicContact CB-CZ2 4.31Å
115C87.5Confident91.4Very high77 Ų7736.2 Ų36.252%0.5220%0.201SC..THydrogen-bonded Turntrans-58.2-17.9-179.862.50000115V111 K112V111-C115 VanDerWaalsContact O-CB 3.24Å; V111-C115 WeakPolarHBondContact O-CB 3.39Å; V111-C115 PolarHBondContact O-N 2.95Å; K112-C115 PolarHBondContact O-SG 3.31Å
116H84.4Confident91.3Very high162 Ų16236.2 Ų36.275%0.7520%0.2SC*.THydrogen-bonded Turntrans-98.7-1.6176.8-59.3-55.9000113.6A114 P118A114-H116 PolarHBondContact O-N 3.11Å; H116-P118 WeakPolarHBondContact O-CD 3.34Å
117I85.8Confident91Very high24 Ų2436.6 Ų36.612%0.12320%0.203CC..  trans-86.9116.2-178.1-60.7178.6000108.4A114 W119 R170 V171 N192 L193A114-I117 HydrophobicContact CB-CD1 3.91Å; A114-I117 HydrophobicContact CB-CG1 4.42Å; A114-I117 WeakPolarHBondContact O-CB 3.44Å; A114-I117 PolarHBondContact O-N 2.83Å; I117-W119 HydrophobicContact CG2-CB 4.23Å; I117-W119 HydrophobicContact CG2-CD2 3.97Å; I117-W119 HydrophobicContact CG2-CE3 4.34Å; I117-W119 HydrophobicContact CG2-CG 3.96Å; I117-W119 PolarHBondContact O-N 3.11Å; I117-W119 VanDerWaalsContact O-N 3.12Å; I117-R170 HydrophobicContact CG2-CB 3.55Å; I117-R170 HydrophobicContact CG2-CG 3.82Å; I117-V171 HydrophobicContact CD1-CG2 3.73Å; I117-N192 HydrophobicContact CD1-CB 4.08Å; I117-N192 HydrophobicContact CG1-CB 4.29Å; I117-N192 HydrophobicContact CG2-CB 4.49Å; I117-L193 HydrophobicContact CD1-CB 3.94Å; I117-L193 HydrophobicContact CD1-CD2 4.34Å
118P76.7Confident90.5Very high108 Ų10837 Ų3770%0.70121%0.207SC*.  trans-8388.2177.533.4-32.1000109.4H116H116-P118 WeakPolarHBondContact O-CD 3.34Å
119W82.3Confident89.9Confident28 Ų2842.4 Ų42.411%0.10623%0.228CC..  trans-124.4137.9177.458.54000113.8A114 I117 N122 C123 V124 F146 R170 V171A114-W119 HydrophobicContact CB-CZ2 4.31Å; I117-W119 HydrophobicContact CG2-CB 4.23Å; I117-W119 HydrophobicContact CG2-CD2 3.97Å; I117-W119 HydrophobicContact CG2-CE3 4.34Å; I117-W119 HydrophobicContact CG2-CG 3.96Å; I117-W119 PolarHBondContact O-N 3.11Å; I117-W119 VanDerWaalsContact O-N 3.12Å; W119-N122 PolarHBondContact NE1-OD1 3.32Å; W119-C123 WeakPolarHBondContact CH2-O 3.39Å; W119-C123 WeakPolarHBondContact CZ3-O 3.41Å; W119-V124 HydrophobicContact CH2-CG2 3.83Å; W119-F146 HydrophobicContact CZ2-CD1 4Å; W119-F146 AromaticContact CZ2-CE1 3.97Å; W119-F146 HydrophobicContact CZ2-CE1 3.97Å; W119-R170 HydrophobicContact CB-CB 4.36Å; W119-R170 HydrophobicContact CB-CG 3.54Å; W119-R170 HydrophobicContact CD2-CB 4.11Å; W119-R170 HydrophobicContact CD2-CG 4.24Å; W119-R170 HydrophobicContact CE3-CB 3.34Å; W119-R170 HydrophobicContact CE3-CG 3.75Å; W119-R170 HydrophobicContact CG-CG 4.24Å; W119-R170 HydrophobicContact CZ3-CB 4Å; W119-V171 HydrophobicContact CE3-CB 4.47Å; W119-V171 HydrophobicContact CE3-CG2 4.03Å; W119-V171 HydrophobicContact CH2-CB 3.29Å; W119-V171 HydrophobicContact CH2-CG1 4.35Å; W119-V171 HydrophobicContact CH2-CG2 2.98Å; W119-V171 HydrophobicContact CZ2-CB 4.46Å; W119-V171 HydrophobicContact CZ2-CG2 3.79Å; W119-V171 HydrophobicContact CZ3-CB 3.29Å; W119-V171 HydrophobicContact CZ3-CG2 3.12Å
120S71.8Confident89.6Confident55 Ų5543.6 Ų43.639%0.38523%0.234SC..SBendtrans-73.7146.9169.950.10000110.2N122S120-N122 PolarHBondContact O-N 3.33Å
121D82.9Confident89.6Confident77 Ų7744.2 Ų44.241%0.41224%0.238SC..THydrogen-bonded Turntrans61.1-0.5176.5-53.4-27.7000116.9C123 P147 Y492D121-C123 PolarHBondContact O-N 3.22Å; D121-C123 VanDerWaalsContact O-N 3.08Å; D121-P147 WeakPolarHBondContact O-CD 3.48Å; D121-Y492 WeakPolarHBondContact OD2-CE2 3.48Å; D121-Y492 PolarHBondContact OD2-OH 3.5Å
122N89.2Confident89.7Confident71 Ų7142.2 Ų42.238%0.3823%0.226SC..THydrogen-bonded Turntrans50.534.9173.9-62-48.8000114.3W119 S120 F146 P147W119-N122 PolarHBondContact NE1-OD1 3.32Å; S120-N122 PolarHBondContact O-N 3.33Å; N122-F146 HydrophobicContact CB-CD1 3.87Å; N122-F146 HydrophobicContact CB-CE1 4.23Å; N122-F146 WeakPolarHBondContact O-CD1 3.3Å; N122-P147 WeakPolarHBondContact O-CD 3.41Å
123C95.4Very high89.8Confident2 Ų239.2 Ų39.21%0.01421%0.213CC..  trans-78.6137-174.1-73.10000112.8W119 D121 P147 V149 L169W119-C123 WeakPolarHBondContact CH2-O 3.39Å; W119-C123 WeakPolarHBondContact CZ3-O 3.41Å; D121-C123 PolarHBondContact O-N 3.22Å; D121-C123 VanDerWaalsContact O-N 3.08Å; C123-P147 CarbonylContact C-O 3.52Å; C123-P147 WeakPolarHBondContact CA-O 3.4Å; C123-V149 HydrophobicContact CB-CG2 3.92Å; C123-L169 HydrophobicContact CB-CD2 3.86Å; C123-L169 WeakPolarHBondContact O-CD2 3.44Å
124V97.3Very high89.9Confident0 Ų038.6 Ų38.60%021%0.209CC..EExtended strand (participates in β ladder)trans-110.5120.5174.7176.40000110.3L110 W119 I126 F146 P147 I148 V149 V171 V173L110-V124 HydrophobicContact CD1-CG2 4.43Å; L110-V124 HydrophobicContact CD2-CG2 3.96Å; W119-V124 HydrophobicContact CH2-CG2 3.83Å; V124-I126 HydrophobicContact CG1-CG1 4.28Å; V124-F146 HydrophobicContact CG2-CB 4.01Å; V124-F146 HydrophobicContact CG2-CD1 4.41Å; V124-F146 HydrophobicContact CG2-CG 4.42Å; V124-P147 PolarHBondContact N-O 2.89Å; V124-I148 CarbonylContact O-C 3.59Å; V124-I148 WeakPolarHBondContact O-CA 3.38Å; V124-V149 PolarHBondContact O-N 3.43Å; V124-V171 HydrophobicContact CG1-CG1 4.34Å; V124-V171 HydrophobicContact CG2-CB 4.49Å; V124-V173 HydrophobicContact CG1-CG2 4.09Å
125G96.2Very high90.2Very high0 Ų038.4 Ų38.40%021%0.207CC..EExtended strand (participates in β ladder)trans-74.6137172.500000110.4V149 L169 V171 V172 V173G125-V149 WeakPolarHBondContact CA-O 3.46Å; G125-L169 VanDerWaalsContact N-CD2 3.29Å; G125-V171 PolarHBondContact N-O 2.82Å; G125-V172 CarbonylContact O-C 3.52Å; G125-V172 VanDerWaalsContact O-CA 3.28Å; G125-V172 WeakPolarHBondContact O-CA 3.5Å; G125-V173 PolarHBondContact O-N 3.49Å
126I96.8Very high90.7Very high1 Ų134.9 Ų34.91%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-128.5123.1172.1-48.7-177.4000107.6V124 W134 A137 Q138 I148 V149 I151 V173V124-I126 HydrophobicContact CG1-CG1 4.28Å; I126-W134 VanDerWaalsContact C-CH2 3.4Å; I126-W134 HydrophobicContact CB-CD2 4.44Å; I126-W134 HydrophobicContact CB-CH2 4.02Å; I126-W134 HydrophobicContact CB-CZ2 3.83Å; I126-W134 HydrophobicContact CB-CZ3 4.39Å; I126-W134 HydrophobicContact CG2-CD2 3.37Å; I126-W134 VanDerWaalsContact CG2-CE2 3.46Å; I126-W134 HydrophobicContact CG2-CE3 3.45Å; I126-W134 VanDerWaalsContact CG2-CE3 3.45Å; I126-W134 HydrophobicContact CG2-CG 4.03Å; I126-W134 HydrophobicContact CG2-CH2 3.73Å; I126-W134 HydrophobicContact CG2-CZ2 3.64Å; I126-W134 HydrophobicContact CG2-CZ3 3.63Å; I126-W134 WeakPolarHBondContact O-CH2 3.25Å; I126-A137 HydrophobicContact CD1-CB 4.29Å; I126-Q138 HydrophobicContact CD1-CB 4.22Å; I126-I148 HydrophobicContact CD1-CB 4.23Å; I126-I148 HydrophobicContact CD1-CD1 4.42Å; I126-I148 HydrophobicContact CD1-CG2 3.87Å; I126-V149 PolarHBondContact N-O 2.83Å; I126-I151 PolarHBondContact O-N 2.92Å; I126-V173 CarbonylContact C-O 3.58Å; I126-V173 WeakPolarHBondContact CA-O 3.17Å; I126-V173 HydrophobicContact CG1-CB 4.37Å; I126-V173 HydrophobicContact CG1-CG2 4.47Å; I126-V173 HydrophobicContact CG2-CB 4.15Å; I126-V173 HydrophobicContact CG2-CG1 4.49Å
127C92Very high91.4Very high7 Ų727.1 Ų27.15%0.04715%0.147CC..EExtended strand (participates in β ladder)trans-133.4143.9-173.5-172.90000111.6I151 V173 C174 D175 I183C127-I151 HydrophobicContact CB-CB 4.03Å; C127-I151 HydrophobicContact CB-CG2 4.47Å; C127-V173 PolarHBondContact N-O 2.89Å; C127-C174 CarbonylContact O-C 3.58Å; C127-C174 VanDerWaalsContact O-CA 3.3Å; C127-C174 WeakPolarHBondContact O-CA 3.5Å; C127-D175 PolarHBondContact O-N 3.37Å; C127-D175 VanDerWaalsContact O-N 3.14Å; C127-I183 HydrophobicContact CB-CD1 3.86Å
128G87Confident92Very high9 Ų926.1 Ų26.19%0.09314%0.142CC..SBendtrans113-161.1-177.500000114.9W134 E179G128-W134 WeakPolarHBondContact O-CZ3 3.49Å; G128-E179 VanDerWaalsContact CA-OE1 3.27Å; G128-E179 WeakPolarHBondContact CA-OE1 3.29Å
129R86.8Confident93Very high114 Ų11421.2 Ų21.243%0.4311%0.11SC..SBendtrans-82.7157.6-172.2-63.4179.5-63.1150.73.4112.2S131 D175R129-S131 PolarHBondContact O-N 2.93Å; R129-D175 IonicContact CZ-OD2 2.98Å; R129-D175 IonicContact NE-OD2 3.37Å; R129-D175 PolarHBondContact NE-OD2 3.49Å; R129-D175 IonicContact NH2-OD2 3.04Å; R129-D175 PolarHBondContact NH2-OD2 3.02Å
130N92.9Very high93.8Very high25 Ų2519.9 Ų19.913%0.13411%0.105CC..  trans-61.3128.8170-65.116.1000110S288 L290 P291 F292 F313N130-S288 PolarHBondContact ND2-OG 3.41Å; N130-L290 PolarHBondContact ND2-O 2.95Å; N130-P291 WeakPolarHBondContact OD1-CA 3.09Å; N130-F292 HydrophobicContact CB-CD2 3.75Å; N130-F292 HydrophobicContact CB-CE2 3.89Å; N130-F292 PolarHBondContact OD1-N 2.85Å; N130-F313 HydrophobicContact CB-CD1 3.76Å; N130-F313 HydrophobicContact CB-CE1 4.02Å
131S96Very high95.1Very high13 Ų1317.3 Ų17.39%0.0919%0.086CC..  trans-151164.6179.263.10000109.7R129 E133 W134 F135R129-S131 PolarHBondContact O-N 2.93Å; S131-E133 WeakPolarHBondContact CB-OE2 3.43Å; S131-E133 PolarHBondContact O-N 3.45Å; S131-W134 WeakPolarHBondContact O-CB 3.35Å; S131-W134 PolarHBondContact O-N 3.39Å; S131-W134 PolarHBondContact OG-N 2.77Å; S131-F135 PolarHBondContact O-N 3.17Å; S131-F135 VanDerWaalsContact O-N 3.12Å
132P98.3Very high95.8Very high3 Ų313.7 Ų13.72%0.0197%0.067CC..Hα-helixtrans-58.3-33.4169.6-2434.3000112.5L81 R83 L94 F135 I136 F313L81-P132 HydrophobicContact CB-CB 4.06Å; L81-P132 HydrophobicContact CB-CG 4.32Å; L81-P132 HydrophobicContact CD1-CB 3.95Å; R83-P132 HydrophobicContact CB-CG 4.3Å; R83-P132 VanDerWaalsContact NH2-CB 3.32Å; R83-P132 VanDerWaalsContact NH2-CG 3.27Å; L94-P132 HydrophobicContact CD1-CB 4.44Å; P132-F135 PolarHBondContact O-N 2.95Å; P132-I136 WeakPolarHBondContact O-CB 3.35Å; P132-I136 WeakPolarHBondContact O-CD1 3.46Å; P132-I136 WeakPolarHBondContact O-CG1 3.37Å; P132-I136 PolarHBondContact O-N 3.31Å; P132-F313 HydrophobicContact CB-CE2 4.24Å; P132-F313 VanDerWaalsContact CD-CD2 3.48Å; P132-F313 HydrophobicContact CG-CD2 3.58Å; P132-F313 HydrophobicContact CG-CE2 3.71Å
133E98.3Very high96.2Very high22 Ų2210.4 Ų10.410%0.1035%0.05CC..Hα-helixtrans-64.5-43.9176.3-69.184.4-178.900112R83 S131 F135 I136 A137 V197 F219R83-E133 IonicContact CZ-OE1 3.02Å; R83-E133 IonicContact CZ-OE2 3.03Å; R83-E133 VanDerWaalsContact CZ-OE2 3.25Å; R83-E133 IonicContact NH1-OE1 2.75Å; R83-E133 PolarHBondContact NH1-OE1 3.15Å; R83-E133 IonicContact NH1-OE2 3.74Å; R83-E133 PolarHBondContact NH1-OE2 3.43Å; R83-E133 IonicContact NH2-OE1 2.61Å; R83-E133 PolarHBondContact NH2-OE1 2.91Å; R83-E133 IonicContact NH2-OE2 2.72Å; R83-E133 PolarHBondContact NH2-OE2 3.26Å; S131-E133 WeakPolarHBondContact CB-OE2 3.43Å; S131-E133 PolarHBondContact O-N 3.45Å; E133-F135 VanDerWaalsContact C-N 3.31Å; E133-F135 PolarHBondContact O-N 3.23Å; E133-I136 PolarHBondContact O-N 3.1Å; E133-A137 WeakPolarHBondContact O-CB 3.22Å; E133-A137 PolarHBondContact O-N 3.14Å; E133-V197 HydrophobicContact CB-CB 4.37Å; E133-V197 HydrophobicContact CB-CG1 3.87Å; E133-V197 HydrophobicContact CB-CG2 3.58Å; E133-V197 HydrophobicContact CG-CB 4.42Å; E133-V197 HydrophobicContact CG-CG1 3.6Å; E133-V197 HydrophobicContact CG-CG2 4.09Å; E133-F219 HydrophobicContact CB-CD1 4.28Å; E133-F219 HydrophobicContact CB-CD2 3.97Å; E133-F219 HydrophobicContact CB-CE1 4.01Å; E133-F219 HydrophobicContact CB-CE2 3.69Å; E133-F219 HydrophobicContact CB-CG 4.26Å; E133-F219 HydrophobicContact CB-CZ 3.72Å; E133-F219 HydrophobicContact CG-CD1 3.56Å; E133-F219 HydrophobicContact CG-CD2 4.06Å; E133-F219 HydrophobicContact CG-CE1 3.55Å; E133-F219 HydrophobicContact CG-CE2 4.07Å; E133-F219 HydrophobicContact CG-CG 3.82Å; E133-F219 HydrophobicContact CG-CZ 3.83Å
134W97.5Very high96.3Very high7 Ų710.9 Ų10.93%0.0275%0.051CC..Hα-helixtrans-55.3-50.8172.6-175-63.4000110.5I126 G128 S131 I136 A137 Q138 P150 F292I126-W134 VanDerWaalsContact C-CH2 3.4Å; I126-W134 HydrophobicContact CB-CD2 4.44Å; I126-W134 HydrophobicContact CB-CH2 4.02Å; I126-W134 HydrophobicContact CB-CZ2 3.83Å; I126-W134 HydrophobicContact CB-CZ3 4.39Å; I126-W134 HydrophobicContact CG2-CD2 3.37Å; I126-W134 VanDerWaalsContact CG2-CE2 3.46Å; I126-W134 HydrophobicContact CG2-CE3 3.45Å; I126-W134 VanDerWaalsContact CG2-CE3 3.45Å; I126-W134 HydrophobicContact CG2-CG 4.03Å; I126-W134 HydrophobicContact CG2-CH2 3.73Å; I126-W134 HydrophobicContact CG2-CZ2 3.64Å; I126-W134 HydrophobicContact CG2-CZ3 3.63Å; I126-W134 WeakPolarHBondContact O-CH2 3.25Å; G128-W134 WeakPolarHBondContact O-CZ3 3.49Å; S131-W134 WeakPolarHBondContact O-CB 3.35Å; S131-W134 PolarHBondContact O-N 3.39Å; S131-W134 PolarHBondContact OG-N 2.77Å; W134-I136 VanDerWaalsContact C-N 3.34Å; W134-I136 PolarHBondContact O-N 2.92Å; W134-A137 PolarHBondContact O-N 2.74Å; W134-Q138 VanDerWaalsContact O-CB 3.3Å; W134-Q138 WeakPolarHBondContact O-CB 3.3Å; W134-Q138 PolarHBondContact O-N 2.86Å; W134-P150 HydrophobicContact CZ2-CB 4.18Å; W134-F292 HydrophobicContact CB-CD2 4.33Å; W134-F292 AromaticContact CD1-CD2 3.34Å; W134-F292 AromaticContact CD1-CG 3.82Å; W134-F292 HydrophobicContact CD2-CB 4.43Å; W134-F292 HydrophobicContact CD2-CD2 4.34Å; W134-F292 AromaticContact CG-CD2 3.76Å; W134-F292 HydrophobicContact CG-CD2 3.76Å; W134-F292 HydrophobicContact CG-CE2 4.41Å; W134-F292 HydrophobicContact CZ2-CB 4.15Å; W134-F292 AromaticContact NE1-CD2 3.79Å; W134-F292 AromaticContact NE1-CG 3.81Å
135F98.7Very high96.2Very high2 Ų212.6 Ų12.61%0.0097%0.069CC..Hα-helixtrans-59.3-45.9-179.5-178.5-77.1000111.5F68 L81 V99 S131 P132 E133 Q138 H139 F292 I305 I311 F313F68-F135 HydrophobicContact CD2-CE1 4.04Å; F68-F135 HydrophobicContact CD2-CZ 4.14Å; F68-F135 AromaticContact CE2-CE1 3.92Å; F68-F135 HydrophobicContact CE2-CE1 3.92Å; F68-F135 HydrophobicContact CE2-CZ 4.3Å; L81-F135 HydrophobicContact CD1-CB 4.02Å; L81-F135 HydrophobicContact CD1-CD1 3.47Å; L81-F135 VanDerWaalsContact CD1-CD1 3.47Å; L81-F135 HydrophobicContact CD1-CE1 4.13Å; L81-F135 HydrophobicContact CD1-CG 3.84Å; L81-F135 HydrophobicContact CD2-CD1 4.02Å; L81-F135 HydrophobicContact CD2-CD2 4.04Å; L81-F135 HydrophobicContact CD2-CE1 4.24Å; L81-F135 HydrophobicContact CD2-CE2 4.24Å; L81-F135 HydrophobicContact CD2-CG 3.92Å; L81-F135 HydrophobicContact CD2-CZ 4.35Å; L81-F135 HydrophobicContact CG-CD1 4.3Å; V99-F135 HydrophobicContact CG1-CD1 4.3Å; V99-F135 HydrophobicContact CG1-CE1 4.09Å; S131-F135 PolarHBondContact O-N 3.17Å; S131-F135 VanDerWaalsContact O-N 3.12Å; P132-F135 PolarHBondContact O-N 2.95Å; E133-F135 VanDerWaalsContact C-N 3.31Å; E133-F135 PolarHBondContact O-N 3.23Å; F135-Q138 PolarHBondContact O-N 2.92Å; F135-H139 AromaticContact CD1-ND1 3.57Å; F135-H139 AromaticContact CD2-CE1 3.71Å; F135-H139 AromaticContact CD2-ND1 3.97Å; F135-H139 AromaticContact CE1-CE1 3.56Å; F135-H139 AromaticContact CE1-CG 3.86Å; F135-H139 AromaticContact CE1-ND1 3.38Å; F135-H139 WeakPolarHBondContact CE1-ND1 3.48Å; F135-H139 AromaticContact CE2-CE1 3.23Å; F135-H139 WeakPolarHBondContact CE2-CE1 3.27Å; F135-H139 AromaticContact CE2-ND1 3.81Å; F135-H139 AromaticContact CE2-NE2 3.98Å; F135-H139 AromaticContact CG-ND1 3.86Å; F135-H139 AromaticContact CZ-CE1 3.14Å; F135-H139 WeakPolarHBondContact CZ-CE1 3.38Å; F135-H139 AromaticContact CZ-ND1 3.51Å; F135-H139 AromaticContact CZ-NE2 3.59Å; F135-H139 PolarHBondContact O-N 3.17Å; F135-H139 PolarHBondContact O-ND1 3.13Å; F135-F292 HydrophobicContact CD2-CZ 4.18Å; F135-I305 HydrophobicContact CE2-CD1 3.92Å; F135-I305 HydrophobicContact CE2-CG1 3.73Å; F135-I305 HydrophobicContact CZ-CD1 3.6Å; F135-I305 HydrophobicContact CZ-CG1 3.64Å; F135-I311 HydrophobicContact CE2-CD1 4.17Å; F135-F313 HydrophobicContact CB-CZ 4.33Å
136I98.8Very high96.2Very high2 Ų213.6 Ų13.61%0.017%0.074CC..Hα-helixtrans-63.2-49.5179.6-72.6160.9000110.5L81 L94 V99 K102 I103 F106 P132 E133 W134 Q138 H139 A140 F219L81-I136 HydrophobicContact CD1-CG1 4.3Å; L94-I136 HydrophobicContact CD1-CD1 4.25Å; V99-I136 HydrophobicContact CG1-CG1 4.17Å; K102-I136 HydrophobicContact CB-CD1 3.87Å; K102-I136 HydrophobicContact CB-CG1 4.29Å; K102-I136 HydrophobicContact CB-CG2 3.9Å; K102-I136 HydrophobicContact CD-CD1 3.75Å; K102-I136 HydrophobicContact CG-CD1 4.47Å; I103-I136 HydrophobicContact CG1-CG2 4.27Å; F106-I136 HydrophobicContact CB-CG2 4.24Å; P132-I136 WeakPolarHBondContact O-CB 3.35Å; P132-I136 WeakPolarHBondContact O-CD1 3.46Å; P132-I136 WeakPolarHBondContact O-CG1 3.37Å; P132-I136 PolarHBondContact O-N 3.31Å; E133-I136 PolarHBondContact O-N 3.1Å; W134-I136 VanDerWaalsContact C-N 3.34Å; W134-I136 PolarHBondContact O-N 2.92Å; I136-Q138 VanDerWaalsContact C-N 3.32Å; I136-Q138 PolarHBondContact O-N 3.32Å; I136-H139 PolarHBondContact O-N 2.68Å; I136-A140 VanDerWaalsContact O-CB 3.26Å; I136-A140 WeakPolarHBondContact O-CB 3.07Å; I136-A140 PolarHBondContact O-N 2.98Å; I136-F219 HydrophobicContact CB-CZ 4.21Å; I136-F219 HydrophobicContact CG2-CZ 3.93Å
137A98.7Very high96.3Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-58.7-45.3178.800000111.2F106 I126 E133 W134 A140 C141 V173 F219F106-A137 HydrophobicContact CD1-CB 4.36Å; F106-A137 HydrophobicContact CD2-CB 4.44Å; F106-A137 HydrophobicContact CE1-CB 3.87Å; F106-A137 HydrophobicContact CE2-CB 3.97Å; F106-A137 HydrophobicContact CZ-CB 3.66Å; I126-A137 HydrophobicContact CD1-CB 4.29Å; E133-A137 WeakPolarHBondContact O-CB 3.22Å; E133-A137 PolarHBondContact O-N 3.14Å; W134-A137 PolarHBondContact O-N 2.74Å; A137-A140 PolarHBondContact O-N 2.8Å; A137-C141 WeakPolarHBondContact O-CB 3.35Å; A137-C141 PolarHBondContact O-N 2.84Å; A137-C141 PolarHBondContact O-SG 3.49Å; A137-V173 HydrophobicContact CB-CG1 4.49Å; A137-V173 HydrophobicContact CB-CG2 4.41Å; A137-F219 HydrophobicContact CB-CE2 4.33Å
138Q98.4Very high96.6Very high2 Ų213.8 Ų13.81%0.0098%0.075CC..Hα-helixtrans-60.3-47.6177.2165173-50.400112.7I126 W134 F135 I136 A140 C141 A142 I148 Y242I126-Q138 HydrophobicContact CD1-CB 4.22Å; W134-Q138 VanDerWaalsContact O-CB 3.3Å; W134-Q138 WeakPolarHBondContact O-CB 3.3Å; W134-Q138 PolarHBondContact O-N 2.86Å; F135-Q138 PolarHBondContact O-N 2.92Å; I136-Q138 VanDerWaalsContact C-N 3.32Å; I136-Q138 PolarHBondContact O-N 3.32Å; Q138-A140 VanDerWaalsContact C-N 3.34Å; Q138-C141 PolarHBondContact O-N 2.87Å; Q138-A142 PolarHBondContact O-N 3.36Å; Q138-I148 HydrophobicContact CB-CD1 4.06Å; Q138-I148 HydrophobicContact CG-CD1 3.56Å; Q138-Y242 HydrophobicContact CG-CE2 4.44Å; Q138-Y242 WeakPolarHBondContact CG-OH 3.47Å; Q138-Y242 PolarHBondContact NE2-OH 3.08Å
139H98.7Very high97.1Very high6 Ų613.4 Ų13.43%0.0287%0.071CC..Hα-helixtrans-74.1-27.7-179-73.777.7000112.3I103 F135 I136 A142 A143I103-H139 HydrophobicContact CD1-CB 3.55Å; I103-H139 HydrophobicContact CG1-CB 3.91Å; F135-H139 AromaticContact CD1-ND1 3.57Å; F135-H139 AromaticContact CD2-CE1 3.71Å; F135-H139 AromaticContact CD2-ND1 3.97Å; F135-H139 AromaticContact CE1-CE1 3.56Å; F135-H139 AromaticContact CE1-CG 3.86Å; F135-H139 AromaticContact CE1-ND1 3.38Å; F135-H139 WeakPolarHBondContact CE1-ND1 3.48Å; F135-H139 AromaticContact CE2-CE1 3.23Å; F135-H139 WeakPolarHBondContact CE2-CE1 3.27Å; F135-H139 AromaticContact CE2-ND1 3.81Å; F135-H139 AromaticContact CE2-NE2 3.98Å; F135-H139 AromaticContact CG-ND1 3.86Å; F135-H139 AromaticContact CZ-CE1 3.14Å; F135-H139 WeakPolarHBondContact CZ-CE1 3.38Å; F135-H139 AromaticContact CZ-ND1 3.51Å; F135-H139 AromaticContact CZ-NE2 3.59Å; F135-H139 PolarHBondContact O-N 3.17Å; F135-H139 PolarHBondContact O-ND1 3.13Å; I136-H139 PolarHBondContact O-N 2.68Å; H139-A142 WeakPolarHBondContact O-CB 3.36Å; H139-A142 PolarHBondContact O-N 3.29Å; H139-A143 WeakPolarHBondContact O-CB 3.41Å; H139-A143 PolarHBondContact O-N 3.07Å
140A98.7Very high97.5Very high0 Ų08 Ų80%05%0.05CC..Hα-helixtrans-64.9-46.9168.200000111.3I103 F106 I136 A137 Q138 A142 A143 Y144I103-A140 HydrophobicContact CG2-CB 4.27Å; I103-A140 VanDerWaalsContact O-CB 3.31Å; I103-A140 WeakPolarHBondContact O-CB 3.08Å; F106-A140 HydrophobicContact CB-CB 3.87Å; F106-A140 HydrophobicContact CD1-CB 3.56Å; F106-A140 HydrophobicContact CG-CB 4.11Å; I136-A140 VanDerWaalsContact O-CB 3.26Å; I136-A140 WeakPolarHBondContact O-CB 3.07Å; I136-A140 PolarHBondContact O-N 2.98Å; A137-A140 PolarHBondContact O-N 2.8Å; Q138-A140 VanDerWaalsContact C-N 3.34Å; A140-A142 VanDerWaalsContact C-N 3.29Å; A140-A142 PolarHBondContact O-N 3.37Å; A140-A143 PolarHBondContact O-N 3.1Å; A140-A143 VanDerWaalsContact O-N 3.1Å; A140-Y144 VanDerWaalsContact O-CD2 3.23Å; A140-Y144 WeakPolarHBondContact O-CD2 3.47Å; A140-Y144 PolarHBondContact O-N 2.98Å
141C98.3Very high97.2Very high0 Ų06.9 Ų6.90%05%0.045CC..Hα-helixtrans-57.8-44.4175-68.90000111.2A137 Q138 A143 Y144 G145 F146 I148A137-C141 WeakPolarHBondContact O-CB 3.35Å; A137-C141 PolarHBondContact O-N 2.84Å; A137-C141 PolarHBondContact O-SG 3.49Å; Q138-C141 PolarHBondContact O-N 2.87Å; C141-A143 VanDerWaalsContact C-N 3.33Å; C141-A143 PolarHBondContact O-N 3.48Å; C141-Y144 PolarHBondContact O-N 2.97Å; C141-G145 PolarHBondContact O-N 3.01Å; C141-G145 VanDerWaalsContact O-N 3.1Å; C141-F146 CarbonylContact C-O 3.52Å; C141-F146 HydrophobicContact CB-CB 3.96Å; C141-F146 VanDerWaalsContact CB-O 3.26Å; C141-F146 WeakPolarHBondContact CB-O 3.43Å; C141-F146 PolarHBondContact O-N 2.98Å; C141-I148 HydrophobicContact CB-CG2 3.35Å
142A98.1Very high96.3Very high1 Ų17.5 Ų7.51%0.0085%0.045CC..Hα-helixtrans-58.4-40174.300000113.6M64 Q138 H139 A140 Y242 H261M64-A142 HydrophobicContact CB-CB 3.97Å; Q138-A142 PolarHBondContact O-N 3.36Å; H139-A142 WeakPolarHBondContact O-CB 3.36Å; H139-A142 PolarHBondContact O-N 3.29Å; A140-A142 VanDerWaalsContact C-N 3.29Å; A140-A142 PolarHBondContact O-N 3.37Å; A142-Y242 HydrophobicContact CB-CD2 3.96Å; A142-Y242 HydrophobicContact CB-CE2 3.68Å; A142-H261 PolarHBondContact O-CE1 3.22Å
143A98.2Very high94.6Very high2 Ų210.7 Ų10.72%0.0177%0.072CC..Hα-helixtrans-83.3-9.8-176.500000113.9K65 I103 H139 A140 C141 K233 T234K65-A143 HydrophobicContact CB-CB 4.35Å; K65-A143 HydrophobicContact CD-CB 4.23Å; K65-A143 HydrophobicContact CG-CB 4.18Å; I103-A143 HydrophobicContact CG2-CB 4.49Å; H139-A143 WeakPolarHBondContact O-CB 3.41Å; H139-A143 PolarHBondContact O-N 3.07Å; A140-A143 PolarHBondContact O-N 3.1Å; A140-A143 VanDerWaalsContact O-N 3.1Å; C141-A143 VanDerWaalsContact C-N 3.33Å; C141-A143 PolarHBondContact O-N 3.48Å; A143-K233 HydrophobicContact CB-CB 4.29Å; A143-K233 HydrophobicContact CB-CD 4.06Å; A143-K233 HydrophobicContact CB-CG 4.25Å; A143-T234 PolarHBondContact O-N 3.03Å; A143-T234 PolarHBondContact O-OG1 3.26Å
144Y97.2Very high92.9Very high12 Ų1213.8 Ų13.85%0.0479%0.092CC..Hα-helixtrans-122.99-177.3-73.6-102.5000113.6Q104 S108 V111 A140 C141 F146 I231 K233 T234Q104-Y144 PolarHBondContact NE2-OH 2.67Å; Q104-Y144 PolarHBondContact O-OH 2.71Å; Q104-Y144 PolarHBondContact OE1-OH 2.85Å; S108-Y144 PolarHBondContact OG-OH 2.97Å; V111-Y144 HydrophobicContact CG2-CD1 3.62Å; V111-Y144 HydrophobicContact CG2-CE1 4.28Å; V111-Y144 HydrophobicContact CG2-CG 4.46Å; A140-Y144 VanDerWaalsContact O-CD2 3.23Å; A140-Y144 WeakPolarHBondContact O-CD2 3.47Å; A140-Y144 PolarHBondContact O-N 2.98Å; C141-Y144 PolarHBondContact O-N 2.97Å; Y144-F146 WeakPolarHBondContact O-CD2 3.44Å; Y144-F146 WeakPolarHBondContact O-CE2 3.23Å; Y144-I231 HydrophobicContact CE1-CB 4.48Å; Y144-I231 HydrophobicContact CE1-CG2 4.39Å; Y144-I231 WeakPolarHBondContact CE1-O 3.44Å; Y144-I231 PolarHBondContact OH-O 2.85Å; Y144-K233 HydrophobicContact CE2-CB 4.3Å; Y144-K233 HydrophobicContact CE2-CG 3.82Å; Y144-T234 WeakPolarHBondContact CA-OG1 3.45Å
145G95.2Very high91.5Very high37 Ų3714.2 Ų14.238%0.38110%0.095SC..THydrogen-bonded Turntrans76.133.6173.700000114.5C141C141-G145 PolarHBondContact O-N 3.01Å; C141-G145 VanDerWaalsContact O-N 3.1Å
146F96.8Very high90Very high21 Ų2115.8 Ų15.89%0.09211%0.112CC..  trans-108.8108.3173.8-62.8-83.7000109.3L110 V111 W119 N122 V124 C141 Y144 I148L110-F146 HydrophobicContact CD2-CB 4.22Å; L110-F146 HydrophobicContact CD2-CD1 4.08Å; L110-F146 HydrophobicContact CD2-CD2 3.41Å; L110-F146 VanDerWaalsContact CD2-CD2 3.41Å; L110-F146 HydrophobicContact CD2-CE1 4.34Å; L110-F146 HydrophobicContact CD2-CE2 3.68Å; L110-F146 HydrophobicContact CD2-CG 3.64Å; L110-F146 HydrophobicContact CD2-CZ 4.15Å; L110-F146 HydrophobicContact CG-CD2 4.19Å; L110-F146 HydrophobicContact CG-CE1 4.37Å; L110-F146 HydrophobicContact CG-CE2 3.94Å; L110-F146 HydrophobicContact CG-CG 4.5Å; L110-F146 HydrophobicContact CG-CZ 4.05Å; V111-F146 HydrophobicContact CG2-CE2 3.93Å; V111-F146 HydrophobicContact CG2-CZ 4.16Å; W119-F146 HydrophobicContact CZ2-CD1 4Å; W119-F146 AromaticContact CZ2-CE1 3.97Å; W119-F146 HydrophobicContact CZ2-CE1 3.97Å; N122-F146 HydrophobicContact CB-CD1 3.87Å; N122-F146 HydrophobicContact CB-CE1 4.23Å; N122-F146 WeakPolarHBondContact O-CD1 3.3Å; V124-F146 HydrophobicContact CG2-CB 4.01Å; V124-F146 HydrophobicContact CG2-CD1 4.41Å; V124-F146 HydrophobicContact CG2-CG 4.42Å; C141-F146 CarbonylContact C-O 3.52Å; C141-F146 HydrophobicContact CB-CB 3.96Å; C141-F146 VanDerWaalsContact CB-O 3.26Å; C141-F146 WeakPolarHBondContact CB-O 3.43Å; C141-F146 PolarHBondContact O-N 2.98Å; Y144-F146 WeakPolarHBondContact O-CD2 3.44Å; Y144-F146 WeakPolarHBondContact O-CE2 3.23Å; F146-I148 PolarHBondContact O-N 3.1Å
147P97.6Very high89Confident12 Ų1219.6 Ų19.68%0.07813%0.132CC..  trans-61.8135.2173.8-1929.5000110.7D121 N122 C123 V124 L241 Y242D121-P147 WeakPolarHBondContact O-CD 3.48Å; N122-P147 WeakPolarHBondContact O-CD 3.41Å; C123-P147 CarbonylContact C-O 3.52Å; C123-P147 WeakPolarHBondContact CA-O 3.4Å; V124-P147 PolarHBondContact N-O 2.89Å; P147-L241 HydrophobicContact CB-CB 4.42Å; P147-L241 HydrophobicContact CB-CD2 3.93Å; P147-L241 HydrophobicContact CB-CG 3.97Å; P147-L241 HydrophobicContact CG-CB 4.11Å; P147-L241 HydrophobicContact CG-CD2 4.03Å; P147-L241 HydrophobicContact CG-CG 4.16Å; P147-L241 WeakPolarHBondContact CG-O 3.34Å; P147-Y242 CarbonylContact C-O 3.54Å; P147-Y242 VanDerWaalsContact CA-O 3.32Å; P147-Y242 WeakPolarHBondContact CA-O 3.34Å
148I98.3Very high88Confident0 Ų027.2 Ų27.20%017%0.168CC..EExtended strand (participates in β ladder)trans-92.6147.8178.361.1160.3000112.2V124 I126 Q138 C141 F146 P150 Y242 M243 I244V124-I148 CarbonylContact O-C 3.59Å; V124-I148 WeakPolarHBondContact O-CA 3.38Å; I126-I148 HydrophobicContact CD1-CB 4.23Å; I126-I148 HydrophobicContact CD1-CD1 4.42Å; I126-I148 HydrophobicContact CD1-CG2 3.87Å; Q138-I148 HydrophobicContact CB-CD1 4.06Å; Q138-I148 HydrophobicContact CG-CD1 3.56Å; C141-I148 HydrophobicContact CB-CG2 3.35Å; F146-I148 PolarHBondContact O-N 3.1Å; I148-P150 HydrophobicContact CD1-CG 4.16Å; I148-P150 WeakPolarHBondContact O-CD 3.37Å; I148-Y242 HydrophobicContact CG1-CE2 4.5Å; I148-Y242 PolarHBondContact N-O 2.91Å; I148-M243 HydrophobicContact CD1-CE 3.52Å; I148-M243 HydrophobicContact CG1-CB 4.02Å; I148-M243 HydrophobicContact CG1-CE 4Å; I148-M243 HydrophobicContact CG1-CG 4.06Å; I148-M243 CarbonylContact O-C 3.46Å; I148-M243 VanDerWaalsContact O-CA 3.29Å; I148-M243 WeakPolarHBondContact O-CA 3.41Å; I148-I244 PolarHBondContact O-N 2.98Å
149V97.1Very high87.1Confident0 Ų027.8 Ų27.80%017%0.173CC..EExtended strand (participates in β ladder)trans-118.592.7172.5-176.80000108.1C123 V124 G125 I126 I151 I163 T167 L169 I244 F246C123-V149 HydrophobicContact CB-CG2 3.92Å; V124-V149 PolarHBondContact O-N 3.43Å; G125-V149 WeakPolarHBondContact CA-O 3.46Å; I126-V149 PolarHBondContact N-O 2.83Å; V149-I151 HydrophobicContact CG1-CG1 4.48Å; V149-I151 PolarHBondContact O-N 2.88Å; V149-I163 HydrophobicContact CG1-CG2 3.87Å; V149-T167 HydrophobicContact CG1-CG2 4.33Å; V149-T167 HydrophobicContact CG2-CG2 4.14Å; V149-L169 HydrophobicContact CB-CD1 4.17Å; V149-L169 HydrophobicContact CB-CD2 4.4Å; V149-L169 HydrophobicContact CG1-CD1 4.19Å; V149-L169 HydrophobicContact CG2-CD1 4.5Å; V149-L169 HydrophobicContact CG2-CD2 4.11Å; V149-I244 HydrophobicContact CG2-CB 4.28Å; V149-I244 HydrophobicContact CG2-CD1 4.34Å; V149-F246 HydrophobicContact CG1-CD2 3.98Å; V149-F246 HydrophobicContact CG1-CE2 3.64Å
150P95.2Very high86.3Confident1 Ų127.9 Ų27.91%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-65.9127.5174-20.132.9000111.2W134 I148 M243 I244 A293W134-P150 HydrophobicContact CZ2-CB 4.18Å; I148-P150 HydrophobicContact CD1-CG 4.16Å; I148-P150 WeakPolarHBondContact O-CD 3.37Å; P150-M243 HydrophobicContact CG-CE 4.09Å; P150-M243 HydrophobicContact CG-CG 4.03Å; P150-M243 HydrophobicContact CG-SD 3.97Å; P150-I244 WeakPolarHBondContact CD-O 3.37Å; P150-A293 HydrophobicContact CB-CB 3.69Å
151I88.1Confident85.8Confident2 Ų232.1 Ų32.11%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-112.1125.5178.3-56.5175.8000108I126 C127 V149 L155 I160 I163 L164 L169I126-I151 PolarHBondContact O-N 2.92Å; C127-I151 HydrophobicContact CB-CB 4.03Å; C127-I151 HydrophobicContact CB-CG2 4.47Å; V149-I151 HydrophobicContact CG1-CG1 4.48Å; V149-I151 PolarHBondContact O-N 2.88Å; I151-L155 HydrophobicContact CG2-CD1 4.13Å; I151-I160 HydrophobicContact CG2-CG1 4.47Å; I151-I163 HydrophobicContact CG1-CG2 4.48Å; I151-L164 HydrophobicContact CD1-CD2 4.39Å; I151-L169 HydrophobicContact CD1-CD1 4.27Å
152Y76.1Confident85.3Confident25 Ų2534.5 Ų34.510%0.09820%0.204CC..  trans-72137.1178.1-44.5-93.3000110.7T154 L155 F246 A293 H294Y152-T154 PolarHBondContact O-N 3.11Å; Y152-T154 VanDerWaalsContact O-N 3.13Å; Y152-L155 HydrophobicContact CD2-CD1 3.84Å; Y152-L155 HydrophobicContact CD2-CD2 3.77Å; Y152-L155 HydrophobicContact CD2-CG 3.66Å; Y152-L155 HydrophobicContact CG-CG 4.21Å; Y152-L155 PolarHBondContact O-N 3.35Å; Y152-F246 PolarHBondContact OH-O 2.97Å; Y152-A293 HydrophobicContact CD1-CB 3.38Å; Y152-A293 HydrophobicContact CE1-CB 3.37Å; Y152-A293 VanDerWaalsContact CE1-O 3.28Å; Y152-A293 WeakPolarHBondContact CE1-O 3.33Å; Y152-A293 HydrophobicContact CG-CB 3.98Å; Y152-A293 VanDerWaalsContact CZ-O 3.31Å; Y152-A293 PolarHBondContact OH-O 2.94Å; Y152-H294 AromaticContact CD1-CE1 4Å; Y152-H294 AromaticContact CD1-NE2 3.68Å; Y152-H294 AromaticContact CE1-CD2 3.67Å; Y152-H294 AromaticContact CE1-CE1 3.27Å; Y152-H294 WeakPolarHBondContact CE1-CE1 3.23Å; Y152-H294 AromaticContact CE1-CG 3.83Å; Y152-H294 AromaticContact CE1-ND1 3.59Å; Y152-H294 AromaticContact CE1-NE2 3.33Å; Y152-H294 VanDerWaalsContact CE1-NE2 3.33Å; Y152-H294 WeakPolarHBondContact CE1-NE2 3.14Å; Y152-H294 AromaticContact CZ-CE1 3.89Å
153A61.8Low84.9Confident70 Ų7034.5 Ų34.558%0.57920%0.204SC*.THydrogen-bonded Turntrans-61.6-18.6172.300000113.4
154T64.6Low84.6Confident88 Ų8834.4 Ų34.454%0.5420%0.203SC..THydrogen-bonded Turntrans-1048.4-178.661.10000113.9Y152Y152-T154 PolarHBondContact O-N 3.11Å; Y152-T154 VanDerWaalsContact O-N 3.13Å
155L67.5Low84.3Confident15 Ų1541.7 Ų41.78%0.07924%0.235CC..  trans-66.3138.6172.8-78.2179.1000110.1I151 Y152 A159 I160 I163 P647I151-L155 HydrophobicContact CG2-CD1 4.13Å; Y152-L155 HydrophobicContact CD2-CD1 3.84Å; Y152-L155 HydrophobicContact CD2-CD2 3.77Å; Y152-L155 HydrophobicContact CD2-CG 3.66Å; Y152-L155 HydrophobicContact CG-CG 4.21Å; Y152-L155 PolarHBondContact O-N 3.35Å; L155-A159 HydrophobicContact CB-CB 4.25Å; L155-A159 HydrophobicContact CD1-CB 4.43Å; L155-A159 HydrophobicContact CD2-CB 3.93Å; L155-A159 HydrophobicContact CG-CB 4.41Å; L155-I160 HydrophobicContact CB-CD1 4.23Å; L155-I160 HydrophobicContact CB-CG1 3.74Å; L155-I160 HydrophobicContact CD1-CG1 4.37Å; L155-I163 HydrophobicContact CD1-CD1 3.33Å; L155-P647 HydrophobicContact CD2-CB 4.38Å; L155-P647 HydrophobicContact CD2-CG 4.27Å
156G66.9Low84.1Confident35 Ų3541.8 Ų41.836%0.36123%0.227SC..  trans-69155.8168.100000111.7E158 A159 I160G156-E158 VanDerWaalsContact C-N 3.33Å; G156-E158 PolarHBondContact O-N 2.89Å; G156-A159 WeakPolarHBondContact O-CA 3.29Å; G156-A159 WeakPolarHBondContact O-CB 3.49Å; G156-A159 PolarHBondContact O-N 3.38Å; G156-I160 PolarHBondContact O-N 2.85Å; G156-I160 VanDerWaalsContact O-N 3.11Å
157D78.2Confident84Confident83 Ų8340.9 Ų40.944%0.44422%0.223SC..Hα-helixtrans-41.2-50.7177.7-8227.5000115.3A159 I160 E161 H182 K186D157-A159 VanDerWaalsContact C-N 3.29Å; D157-A159 PolarHBondContact O-N 3Å; D157-I160 PolarHBondContact O-N 3.38Å; D157-E161 PolarHBondContact O-N 3.43Å; D157-H182 IonicContact OD1-CE1 3.87Å; D157-H182 PolarHBondContact OD1-CE1 2.86Å; D157-H182 IonicContact OD1-NE2 3.37Å; D157-K186 WeakPolarHBondContact OD1-CE 3.48Å; D157-K186 IonicContact OD1-NZ 2.75Å; D157-K186 VanDerWaalsContact OD2-CE 3.23Å; D157-K186 WeakPolarHBondContact OD2-CE 3.48Å; D157-K186 IonicContact OD2-NZ 3.84Å; D157-K186 PolarHBondContact OD2-NZ 3.49Å
158E78.1Confident83.7Confident159 Ų15944 Ų4474%0.74324%0.236SC*.Hα-helixtrans-62.7-36.5179.9-64.1-178.3168.700112.3G156 H162G156-E158 VanDerWaalsContact C-N 3.33Å; G156-E158 PolarHBondContact O-N 2.89Å; E158-H162 VanDerWaalsContact O-CB 3.31Å; E158-H162 WeakPolarHBondContact O-CB 3.31Å; E158-H162 PolarHBondContact O-N 2.91Å
159A78.5Confident83.5Confident14 Ų1444 Ų4412%0.11624%0.237CC..Hα-helixtrans-71.7-39.217900000111.3L155 G156 D157 H162 I163 P254L155-A159 HydrophobicContact CB-CB 4.25Å; L155-A159 HydrophobicContact CD1-CB 4.43Å; L155-A159 HydrophobicContact CD2-CB 3.93Å; L155-A159 HydrophobicContact CG-CB 4.41Å; G156-A159 WeakPolarHBondContact O-CA 3.29Å; G156-A159 WeakPolarHBondContact O-CB 3.49Å; G156-A159 PolarHBondContact O-N 3.38Å; D157-A159 VanDerWaalsContact C-N 3.29Å; D157-A159 PolarHBondContact O-N 3Å; A159-H162 PolarHBondContact O-N 2.89Å; A159-I163 VanDerWaalsContact O-CG1 3.24Å; A159-I163 WeakPolarHBondContact O-CG1 3.35Å; A159-I163 PolarHBondContact O-N 2.95Å; A159-P254 HydrophobicContact CB-CG 3.69Å
160I82.8Confident83.3Confident8 Ų846.7 Ų46.74%0.04125%0.247CC..Hα-helixtrans-63-49.7175.5-67.2173.1000110.1I151 L155 G156 D157 H162 I163 L164 H182 K186I151-I160 HydrophobicContact CG2-CG1 4.47Å; L155-I160 HydrophobicContact CB-CD1 4.23Å; L155-I160 HydrophobicContact CB-CG1 3.74Å; L155-I160 HydrophobicContact CD1-CG1 4.37Å; G156-I160 PolarHBondContact O-N 2.85Å; G156-I160 VanDerWaalsContact O-N 3.11Å; D157-I160 PolarHBondContact O-N 3.38Å; I160-H162 VanDerWaalsContact C-N 3.31Å; I160-H162 PolarHBondContact O-N 2.6Å; I160-I163 PolarHBondContact O-N 3.47Å; I160-L164 HydrophobicContact CG2-CD1 3.63Å; I160-L164 HydrophobicContact CG2-CG 4.23Å; I160-L164 VanDerWaalsContact O-CG 3.25Å; I160-L164 WeakPolarHBondContact O-CG 3.43Å; I160-L164 PolarHBondContact O-N 3.4Å; I160-H182 WeakPolarHBondContact CD1-NE2 3.26Å; I160-K186 HydrophobicContact CB-CD 4.45Å; I160-K186 HydrophobicContact CG2-CD 4.12Å
161E87.7Confident83.4Confident90 Ų9046.7 Ų46.742%0.42125%0.246SC..Hα-helixtrans-58.5-43.1177.1-76.8169.9-150.800112.2D157 K165 K186D157-E161 PolarHBondContact O-N 3.43Å; E161-K165 VanDerWaalsContact O-CB 3.28Å; E161-K165 WeakPolarHBondContact O-CB 3.36Å; E161-K165 PolarHBondContact O-N 3.15Å; E161-K186 HydrophobicContact CG-CB 3.87Å; E161-K186 HydrophobicContact CG-CD 4.03Å; E161-K186 HydrophobicContact CG-CG 4.1Å; E161-K186 IonicContact OE1-NZ 3.69Å; E161-K186 PolarHBondContact OE1-NZ 2.87Å
162H87.6Confident83.7Confident50 Ų5046.6 Ų46.623%0.23125%0.246CC..Hα-helixtrans-59.8-47.5176.3177.263.8000112.1E158 A159 I160 K165 L166 L253 P254E158-H162 VanDerWaalsContact O-CB 3.31Å; E158-H162 WeakPolarHBondContact O-CB 3.31Å; E158-H162 PolarHBondContact O-N 2.91Å; A159-H162 PolarHBondContact O-N 2.89Å; I160-H162 VanDerWaalsContact C-N 3.31Å; I160-H162 PolarHBondContact O-N 2.6Å; H162-K165 PolarHBondContact O-N 3.09Å; H162-L166 WeakPolarHBondContact O-CB 3.18Å; H162-L166 PolarHBondContact O-N 2.73Å; H162-L253 HydrophobicContact CB-CD2 4.19Å; H162-P254 PolarHBondContact CD2-O 3.28Å; H162-P254 PolarHBondContact NE2-O 2.88Å
163I89.6Confident84.7Confident0 Ų045.5 Ų45.50%024%0.242CC..Hα-helixtrans-61.7-52.5179-70.6169.4000110.5V149 I151 L155 A159 I160 K165 L166 T167 F246V149-I163 HydrophobicContact CG1-CG2 3.87Å; I151-I163 HydrophobicContact CG1-CG2 4.48Å; L155-I163 HydrophobicContact CD1-CD1 3.33Å; A159-I163 VanDerWaalsContact O-CG1 3.24Å; A159-I163 WeakPolarHBondContact O-CG1 3.35Å; A159-I163 PolarHBondContact O-N 2.95Å; I160-I163 PolarHBondContact O-N 3.47Å; I163-K165 VanDerWaalsContact C-N 3.29Å; I163-K165 PolarHBondContact O-N 2.84Å; I163-L166 PolarHBondContact O-N 2.84Å; I163-T167 WeakPolarHBondContact O-CB 3.36Å; I163-T167 PolarHBondContact O-N 3.16Å; I163-T167 PolarHBondContact O-OG1 3.21Å; I163-F246 HydrophobicContact CB-CE2 4.29Å; I163-F246 HydrophobicContact CB-CZ 4.25Å; I163-F246 HydrophobicContact CD1-CB 4.08Å; I163-F246 HydrophobicContact CD1-CD1 4.1Å; I163-F246 HydrophobicContact CD1-CD2 3.96Å; I163-F246 HydrophobicContact CD1-CE2 4.47Å; I163-F246 HydrophobicContact CD1-CG 3.75Å; I163-F246 HydrophobicContact CG1-CD1 3.71Å; I163-F246 HydrophobicContact CG1-CD2 3.93Å; I163-F246 HydrophobicContact CG1-CE1 3.73Å; I163-F246 HydrophobicContact CG1-CE2 3.97Å; I163-F246 HydrophobicContact CG1-CG 3.79Å; I163-F246 HydrophobicContact CG1-CZ 3.86Å; I163-F246 HydrophobicContact CG2-CD2 4.02Å; I163-F246 HydrophobicContact CG2-CE2 3.6Å; I163-F246 HydrophobicContact CG2-CZ 3.97Å
164L90.9Very high86.3Confident1 Ų142.3 Ų42.31%0.00522%0.215CC..Hα-helixtrans-57-42.8-179-66.8171000111.7I151 I160 E168 L169 I183 I191I151-L164 HydrophobicContact CD1-CD2 4.39Å; I160-L164 HydrophobicContact CG2-CD1 3.63Å; I160-L164 HydrophobicContact CG2-CG 4.23Å; I160-L164 VanDerWaalsContact O-CG 3.25Å; I160-L164 WeakPolarHBondContact O-CG 3.43Å; I160-L164 PolarHBondContact O-N 3.4Å; L164-E168 WeakPolarHBondContact O-CA 3.34Å; L164-E168 PolarHBondContact O-N 3.13Å; L164-L169 HydrophobicContact CD2-CB 4.27Å; L164-L169 HydrophobicContact CD2-CD1 3.91Å; L164-L169 PolarHBondContact O-N 3.44Å; L164-I183 HydrophobicContact CD1-CG2 4.11Å; L164-I183 HydrophobicContact CD2-CG2 4.34Å; L164-I191 HydrophobicContact CD2-CD1 4.35Å
165K91Very high87.6Confident165 Ų16538.6 Ų38.672%0.71719%0.192SC*.Hα-helixtrans-70.3-43.9177.6-174.3177.6179.9178.90113.1E161 H162 I163 E168E161-K165 VanDerWaalsContact O-CB 3.28Å; E161-K165 WeakPolarHBondContact O-CB 3.36Å; E161-K165 PolarHBondContact O-N 3.15Å; H162-K165 PolarHBondContact O-N 3.09Å; I163-K165 VanDerWaalsContact C-N 3.29Å; I163-K165 PolarHBondContact O-N 2.84Å; K165-E168 WeakPolarHBondContact O-CG 3.32Å
166L92.4Very high88.8Confident39 Ų3939 Ų3920%0.20420%0.196CC..Hα-helixtrans-64.9-43-177.6-177.865.3000111.5H162 I163 F246 Y492 K493H162-L166 WeakPolarHBondContact O-CB 3.18Å; H162-L166 PolarHBondContact O-N 2.73Å; I163-L166 PolarHBondContact O-N 2.84Å; L166-F246 HydrophobicContact CD2-CE1 3.95Å; L166-F246 HydrophobicContact CD2-CZ 4.11Å; L166-Y492 HydrophobicContact CD2-CD1 4.43Å; L166-Y492 HydrophobicContact CG-CD1 4.19Å; L166-Y492 HydrophobicContact CG-CE1 4.45Å; L166-K493 HydrophobicContact CD1-CB 4.01Å; L166-K493 HydrophobicContact CD1-CD 4.4Å; L166-K493 PolarHBondContact O-NZ 3.24Å
167T93.4Very high90Very high1 Ų137.4 Ų37.41%0.00618%0.18CC..Hα-helixtrans-87.5-11-177.955.20000114.1V149 I163 L169 I244 F246 Y492V149-T167 HydrophobicContact CG1-CG2 4.33Å; V149-T167 HydrophobicContact CG2-CG2 4.14Å; I163-T167 WeakPolarHBondContact O-CB 3.36Å; I163-T167 PolarHBondContact O-N 3.16Å; I163-T167 PolarHBondContact O-OG1 3.21Å; T167-L169 PolarHBondContact O-N 2.71Å; T167-L169 WeakPolarHBondContact OG1-CD1 3.48Å; T167-L169 VanDerWaalsContact OG1-CG 3.27Å; T167-L169 WeakPolarHBondContact OG1-CG 3.35Å; T167-I244 HydrophobicContact CG2-CD1 4.42Å; T167-F246 HydrophobicContact CG2-CE2 3.9Å; T167-F246 HydrophobicContact CG2-CZ 3.8Å; T167-Y492 HydrophobicContact CG2-CD1 4.36Å; T167-Y492 HydrophobicContact CG2-CE1 4.13Å
168E92.5Very high90.6Very high78 Ų7838.8 Ų38.836%0.36418%0.184SC..THydrogen-bonded Turntrans5237.7-179.7-60.2173.3-135.900112.8L164 K165 R170 K493L164-E168 WeakPolarHBondContact O-CA 3.34Å; L164-E168 PolarHBondContact O-N 3.13Å; K165-E168 WeakPolarHBondContact O-CG 3.32Å; E168-R170 PolarHBondContact O-N 2.69Å; E168-K493 IonicContact OE1-NZ 2.88Å; E168-K493 PolarHBondContact OE1-NZ 2.9Å
169L93.3Very high91.1Very high1 Ų132.9 Ų32.91%0.00516%0.156CC..  trans-54.3135.1-174.7-81168.1000111.6C123 G125 V149 I151 L164 T167 I191C123-L169 HydrophobicContact CB-CD2 3.86Å; C123-L169 WeakPolarHBondContact O-CD2 3.44Å; G125-L169 VanDerWaalsContact N-CD2 3.29Å; V149-L169 HydrophobicContact CB-CD1 4.17Å; V149-L169 HydrophobicContact CB-CD2 4.4Å; V149-L169 HydrophobicContact CG1-CD1 4.19Å; V149-L169 HydrophobicContact CG2-CD1 4.5Å; V149-L169 HydrophobicContact CG2-CD2 4.11Å; I151-L169 HydrophobicContact CD1-CD1 4.27Å; L164-L169 HydrophobicContact CD2-CB 4.27Å; L164-L169 HydrophobicContact CD2-CD1 3.91Å; L164-L169 PolarHBondContact O-N 3.44Å; T167-L169 PolarHBondContact O-N 2.71Å; T167-L169 WeakPolarHBondContact OG1-CD1 3.48Å; T167-L169 VanDerWaalsContact OG1-CG 3.27Å; T167-L169 WeakPolarHBondContact OG1-CG 3.35Å; L169-I191 HydrophobicContact CB-CD1 4.07Å; L169-I191 WeakPolarHBondContact O-CD1 3.44Å
170R94.1Very high91.7Very high56 Ų5632.3 Ų32.321%0.21115%0.151CC..  trans-116.9-16.8172.5-48.4-64.5-169.5155.1-2.1113.9I117 W119 E168 L190 N192 L193I117-R170 HydrophobicContact CG2-CB 3.55Å; I117-R170 HydrophobicContact CG2-CG 3.82Å; W119-R170 HydrophobicContact CB-CB 4.36Å; W119-R170 HydrophobicContact CB-CG 3.54Å; W119-R170 HydrophobicContact CD2-CB 4.11Å; W119-R170 HydrophobicContact CD2-CG 4.24Å; W119-R170 HydrophobicContact CE3-CB 3.34Å; W119-R170 HydrophobicContact CE3-CG 3.75Å; W119-R170 HydrophobicContact CG-CG 4.24Å; W119-R170 HydrophobicContact CZ3-CB 4Å; E168-R170 PolarHBondContact O-N 2.69Å; R170-L190 WeakPolarHBondContact CD-O 3.02Å; R170-L190 PolarHBondContact NH1-O 2.8Å; R170-N192 HydrophobicContact CB-CB 4.49Å; R170-N192 WeakPolarHBondContact CD-OD1 3.37Å; R170-N192 PolarHBondContact O-N 3.16Å; R170-L193 PolarHBondContact O-N 3.14Å; R170-L193 VanDerWaalsContact O-N 3.09Å
171V95.5Very high92.1Very high0 Ų032.3 Ų32.30%015%0.152CC..EExtended strand (participates in β ladder)trans-127.6131179.9-177.60000108.6L110 I117 W119 V124 G125 L193 I195L110-V171 HydrophobicContact CD1-CG1 4.11Å; I117-V171 HydrophobicContact CD1-CG2 3.73Å; W119-V171 HydrophobicContact CE3-CB 4.47Å; W119-V171 HydrophobicContact CE3-CG2 4.03Å; W119-V171 HydrophobicContact CH2-CB 3.29Å; W119-V171 HydrophobicContact CH2-CG1 4.35Å; W119-V171 HydrophobicContact CH2-CG2 2.98Å; W119-V171 HydrophobicContact CZ2-CB 4.46Å; W119-V171 HydrophobicContact CZ2-CG2 3.79Å; W119-V171 HydrophobicContact CZ3-CB 3.29Å; W119-V171 HydrophobicContact CZ3-CG2 3.12Å; V124-V171 HydrophobicContact CG1-CG1 4.34Å; V124-V171 HydrophobicContact CG2-CB 4.49Å; G125-V171 PolarHBondContact N-O 2.82Å; V171-L193 VanDerWaalsContact CA-O 3.27Å; V171-L193 WeakPolarHBondContact CA-O 3.03Å; V171-L193 HydrophobicContact CG1-CB 4.43Å; V171-L193 HydrophobicContact CG1-CD2 3.95Å; V171-L193 HydrophobicContact CG1-CG 4.12Å; V171-L193 HydrophobicContact CG2-CB 4.04Å; V171-L193 HydrophobicContact CG2-CD2 3.99Å; V171-L193 HydrophobicContact CG2-CG 4.39Å; V171-I195 HydrophobicContact CG1-CD1 3.73Å
172V95.4Very high92.1Very high1 Ų131.1 Ų31.11%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-133.4139.3178.1-175.20000110.3G125 I183 I191 L193 V194 I195G125-V172 CarbonylContact O-C 3.52Å; G125-V172 VanDerWaalsContact O-CA 3.28Å; G125-V172 WeakPolarHBondContact O-CA 3.5Å; V172-I183 HydrophobicContact CG1-CD1 4.09Å; V172-I191 HydrophobicContact CG2-CD1 3.63Å; V172-I191 HydrophobicContact CG2-CG1 4.34Å; V172-I191 HydrophobicContact CG2-CG2 4.42Å; V172-L193 PolarHBondContact N-O 2.88Å; V172-L193 VanDerWaalsContact N-O 3.08Å; V172-V194 CarbonylContact O-C 3.21Å; V172-V194 VanDerWaalsContact O-CA 3.29Å; V172-V194 WeakPolarHBondContact O-CA 3.41Å; V172-I195 PolarHBondContact O-N 3.22Å
173V97.2Very high92.2Very high2 Ų228.9 Ų28.91%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-104.7127.7168-173.60000108.4F106 V124 G125 I126 C127 A137 I195F106-V173 HydrophobicContact CZ-CG2 3.85Å; V124-V173 HydrophobicContact CG1-CG2 4.09Å; G125-V173 PolarHBondContact O-N 3.49Å; I126-V173 CarbonylContact C-O 3.58Å; I126-V173 WeakPolarHBondContact CA-O 3.17Å; I126-V173 HydrophobicContact CG1-CB 4.37Å; I126-V173 HydrophobicContact CG1-CG2 4.47Å; I126-V173 HydrophobicContact CG2-CB 4.15Å; I126-V173 HydrophobicContact CG2-CG1 4.49Å; C127-V173 PolarHBondContact N-O 2.89Å; A137-V173 HydrophobicContact CB-CG1 4.49Å; A137-V173 HydrophobicContact CB-CG2 4.41Å; V173-I195 CarbonylContact C-O 3.54Å; V173-I195 VanDerWaalsContact CA-O 3.22Å; V173-I195 WeakPolarHBondContact CA-O 3.44Å; V173-I195 HydrophobicContact CG2-CB 4.33Å; V173-I195 HydrophobicContact CG2-CD1 4.33Å
174C95Very high92.2Very high2 Ų228.9 Ų28.91%0.01414%0.136CC..EExtended strand (participates in β ladder)trans-123.4150.4-178.8-64.60000112.1C127 E179 I180 I195 V196 V197C127-C174 CarbonylContact O-C 3.58Å; C127-C174 VanDerWaalsContact O-CA 3.3Å; C127-C174 WeakPolarHBondContact O-CA 3.5Å; C174-E179 HydrophobicContact CB-CB 4.23Å; C174-I180 HydrophobicContact CB-CG1 3.89Å; C174-I195 PolarHBondContact N-O 3.08Å; C174-V196 WeakPolarHBondContact O-CA 3.3Å; C174-V197 WeakPolarHBondContact O-CG2 3.29Å; C174-V197 PolarHBondContact O-N 3.45Å
175D92.5Very high92.1Very high11 Ų1133.9 Ų33.96%0.05916%0.159CC..SBendtrans-71.3-37.8175.4-171.447.3000111.7C127 R129 E179 N198C127-D175 PolarHBondContact O-N 3.37Å; C127-D175 VanDerWaalsContact O-N 3.14Å; R129-D175 IonicContact CZ-OD2 2.98Å; R129-D175 IonicContact NE-OD2 3.37Å; R129-D175 PolarHBondContact NE-OD2 3.49Å; R129-D175 IonicContact NH2-OD2 3.04Å; R129-D175 PolarHBondContact NH2-OD2 3.02Å; D175-E179 WeakPolarHBondContact CA-OE2 3.39Å; D175-E179 VanDerWaalsContact CB-OE2 3.29Å; D175-E179 WeakPolarHBondContact CB-OE2 3.27Å; D175-E179 PolarHBondContact N-OE2 3.48Å; D175-E179 VanDerWaalsContact N-OE2 3.16Å; D175-N198 VanDerWaalsContact O-CB 3.31Å; D175-N198 WeakPolarHBondContact O-CB 3.49Å; D175-N198 PolarHBondContact O-N 2.71Å; D175-N198 PolarHBondContact O-ND2 2.84Å; D175-N198 PolarHBondContact OD1-ND2 3.31Å
176S92.6Very high91.7Very high22 Ų2228.3 Ų28.315%0.15414%0.135CC..SBendtrans-145164.5-169.266.20000113.6E178 E179 I180S176-E178 VanDerWaalsContact C-N 3.28Å; S176-E178 WeakPolarHBondContact CB-OE2 3.47Å; S176-E178 PolarHBondContact O-N 3.13Å; S176-E179 WeakPolarHBondContact CB-OE2 3.31Å; S176-E179 PolarHBondContact N-OE2 2.82Å; S176-E179 PolarHBondContact O-N 3.14Å; S176-E179 PolarHBondContact OG-OE2 3.47Å; S176-I180 WeakPolarHBondContact O-CG1 3.21Å; S176-I180 PolarHBondContact O-N 2.86Å
177G92.2Very high90.9Very high2 Ų227 Ų272%0.02113%0.129CC..Hα-helixtrans-65.2-29.1176.900000113.9I180 C181G177-I180 WeakPolarHBondContact O-CB 3.49Å; G177-I180 PolarHBondContact O-N 2.91Å; G177-C181 PolarHBondContact O-N 3.16Å
178E90.8Very high89.9Confident113 Ų11328.8 Ų28.853%0.52814%0.142SC..Hα-helixtrans-59.7-47.1175.2-7172.2-165.600111.2S176 I180 C181 H182 K202S176-E178 VanDerWaalsContact C-N 3.28Å; S176-E178 WeakPolarHBondContact CB-OE2 3.47Å; S176-E178 PolarHBondContact O-N 3.13Å; E178-I180 VanDerWaalsContact C-N 3.34Å; E178-I180 PolarHBondContact O-N 3.01Å; E178-C181 PolarHBondContact O-N 3Å; E178-H182 WeakPolarHBondContact O-CB 3.21Å; E178-H182 PolarHBondContact O-N 3.48Å; E178-K202 HydrophobicContact CG-CG 4.11Å; E178-K202 WeakPolarHBondContact OE1-CG 3.28Å
179E88.5Confident89.3Confident35 Ų3529.9 Ų29.916%0.16416%0.158CC..Hα-helixtrans-67.8-34.7178.4-67147.9152.400111.7G128 C174 D175 S176 H182 I183G128-E179 VanDerWaalsContact CA-OE1 3.27Å; G128-E179 WeakPolarHBondContact CA-OE1 3.29Å; C174-E179 HydrophobicContact CB-CB 4.23Å; D175-E179 WeakPolarHBondContact CA-OE2 3.39Å; D175-E179 VanDerWaalsContact CB-OE2 3.29Å; D175-E179 WeakPolarHBondContact CB-OE2 3.27Å; D175-E179 PolarHBondContact N-OE2 3.48Å; D175-E179 VanDerWaalsContact N-OE2 3.16Å; S176-E179 WeakPolarHBondContact CB-OE2 3.31Å; S176-E179 PolarHBondContact N-OE2 2.82Å; S176-E179 PolarHBondContact O-N 3.14Å; S176-E179 PolarHBondContact OG-OE2 3.47Å; E179-H182 PolarHBondContact O-N 3.35Å; E179-I183 WeakPolarHBondContact O-CB 3.2Å; E179-I183 WeakPolarHBondContact O-CG1 3.4Å; E179-I183 PolarHBondContact O-N 3.33Å
180I91Very high89Confident1 Ų131.8 Ų31.81%0.00517%0.168CC..Hα-helixtrans-59.6-54.5173.3-58.5171.5000110.2C174 S176 G177 E178 H182 I183 L184 V194 V196 V203 A206 I216C174-I180 HydrophobicContact CB-CG1 3.89Å; S176-I180 WeakPolarHBondContact O-CG1 3.21Å; S176-I180 PolarHBondContact O-N 2.86Å; G177-I180 WeakPolarHBondContact O-CB 3.49Å; G177-I180 PolarHBondContact O-N 2.91Å; E178-I180 VanDerWaalsContact C-N 3.34Å; E178-I180 PolarHBondContact O-N 3.01Å; I180-H182 VanDerWaalsContact C-N 3.28Å; I180-H182 PolarHBondContact O-N 2.85Å; I180-I183 PolarHBondContact O-N 3.14Å; I180-L184 HydrophobicContact CG2-CD1 3.51Å; I180-L184 HydrophobicContact CG2-CG 4.04Å; I180-L184 WeakPolarHBondContact O-CB 3.33Å; I180-L184 WeakPolarHBondContact O-CG 3.35Å; I180-L184 PolarHBondContact O-N 2.88Å; I180-V194 HydrophobicContact CD1-CG1 4Å; I180-V194 HydrophobicContact CG1-CG1 3.81Å; I180-V194 HydrophobicContact CG2-CG1 4.08Å; I180-V196 HydrophobicContact CD1-CB 3.52Å; I180-V196 HydrophobicContact CD1-CG1 3.97Å; I180-V196 HydrophobicContact CD1-CG2 3.72Å; I180-V196 HydrophobicContact CG1-CB 4.36Å; I180-V196 HydrophobicContact CG1-CG2 4.41Å; I180-V203 HydrophobicContact CD1-CG2 4.32Å; I180-A206 HydrophobicContact CB-CB 4.45Å; I180-A206 HydrophobicContact CG2-CB 3.82Å; I180-I216 HydrophobicContact CD1-CG2 4.32Å; I180-I216 HydrophobicContact CG2-CD1 4.29Å
181C91Very high88.9Confident8 Ų829.2 Ų29.25%0.05416%0.158CC..Hα-helixtrans-58.2-45.3-178.5-75.50000110.6G177 E178 I183 L184 E185G177-C181 PolarHBondContact O-N 3.16Å; E178-C181 PolarHBondContact O-N 3Å; C181-I183 PolarHBondContact O-N 2.83Å; C181-L184 PolarHBondContact O-N 3.33Å; C181-E185 WeakPolarHBondContact O-CB 3.43Å; C181-E185 WeakPolarHBondContact O-CG 3.28Å; C181-E185 PolarHBondContact O-N 3.21Å
182H88Confident88.8Confident65 Ų6531.7 Ų31.730%0.30117%0.172SC..Hα-helixtrans-59.2-46.4178.8-175.681.1000113D157 I160 E178 E179 I180 K186D157-H182 IonicContact OD1-CE1 3.87Å; D157-H182 PolarHBondContact OD1-CE1 2.86Å; D157-H182 IonicContact OD1-NE2 3.37Å; I160-H182 WeakPolarHBondContact CD1-NE2 3.26Å; E178-H182 WeakPolarHBondContact O-CB 3.21Å; E178-H182 PolarHBondContact O-N 3.48Å; E179-H182 PolarHBondContact O-N 3.35Å; I180-H182 VanDerWaalsContact C-N 3.28Å; I180-H182 PolarHBondContact O-N 2.85Å; H182-K186 WeakPolarHBondContact NE2-CE 3.35Å
183I88.7Confident88.8Confident4 Ų431.8 Ų31.82%0.02117%0.172CC..Hα-helixtrans-69.1-43.7179.6-71172.3000111.5C127 L164 V172 E179 I180 C181 K186 S187C127-I183 HydrophobicContact CB-CD1 3.86Å; L164-I183 HydrophobicContact CD1-CG2 4.11Å; L164-I183 HydrophobicContact CD2-CG2 4.34Å; V172-I183 HydrophobicContact CG1-CD1 4.09Å; E179-I183 WeakPolarHBondContact O-CB 3.2Å; E179-I183 WeakPolarHBondContact O-CG1 3.4Å; E179-I183 PolarHBondContact O-N 3.33Å; I180-I183 PolarHBondContact O-N 3.14Å; C181-I183 PolarHBondContact O-N 2.83Å; I183-K186 PolarHBondContact O-N 3.19Å; I183-S187 PolarHBondContact O-N 3.44Å; I183-S187 VanDerWaalsContact O-N 3.1Å
184L90.9Very high88.7Confident0 Ų031.8 Ų31.80%017%0.172CC..Hα-helixtrans-70.9-31-177.6-67.1-176.2000112.5I180 C181 K186 S187 S188 I191 V194 F210 V214 I216I180-L184 HydrophobicContact CG2-CD1 3.51Å; I180-L184 HydrophobicContact CG2-CG 4.04Å; I180-L184 WeakPolarHBondContact O-CB 3.33Å; I180-L184 WeakPolarHBondContact O-CG 3.35Å; I180-L184 PolarHBondContact O-N 2.88Å; C181-L184 PolarHBondContact O-N 3.33Å; L184-K186 PolarHBondContact O-N 2.97Å; L184-S187 PolarHBondContact O-N 2.93Å; L184-S188 VanDerWaalsContact O-CA 3.31Å; L184-S188 WeakPolarHBondContact O-CA 3.46Å; L184-S188 WeakPolarHBondContact O-CB 3.35Å; L184-S188 PolarHBondContact O-N 3.17Å; L184-S188 PolarHBondContact O-OG 2.78Å; L184-I191 HydrophobicContact CD2-CB 3.7Å; L184-I191 HydrophobicContact CD2-CG1 3.97Å; L184-I191 HydrophobicContact CD2-CG2 3.84Å; L184-V194 HydrophobicContact CD1-CG2 4.46Å; L184-V194 HydrophobicContact CD2-CG2 4.22Å; L184-F210 HydrophobicContact CB-CD1 3.97Å; L184-F210 HydrophobicContact CB-CD2 4.08Å; L184-F210 HydrophobicContact CB-CE1 3.74Å; L184-F210 HydrophobicContact CB-CE2 3.87Å; L184-F210 HydrophobicContact CB-CG 4.14Å; L184-F210 HydrophobicContact CB-CZ 3.68Å; L184-F210 HydrophobicContact CD1-CB 3.85Å; L184-F210 HydrophobicContact CD1-CD1 4.23Å; L184-F210 HydrophobicContact CD1-CD2 3.49Å; L184-F210 VanDerWaalsContact CD1-CD2 3.49Å; L184-F210 HydrophobicContact CD1-CE2 4.04Å; L184-F210 HydrophobicContact CD1-CG 3.6Å; L184-F210 HydrophobicContact CG-CD2 4.45Å; L184-V214 HydrophobicContact CD1-CB 4.47Å; L184-V214 HydrophobicContact CD1-CG1 4.23Å; L184-V214 HydrophobicContact CD1-CG2 4.24Å; L184-V214 HydrophobicContact CD2-CG1 4.31Å; L184-V214 HydrophobicContact CD2-CG2 4.02Å; L184-I216 HydrophobicContact CD1-CD1 4.45Å
185E89.2Confident88.9Confident106 Ų10631.7 Ų31.750%0.49517%0.171SC..Hα-helixtrans-59.8-33.1172.3-79.3174.2167.500112.5C181 R209 F210C181-E185 WeakPolarHBondContact O-CB 3.43Å; C181-E185 WeakPolarHBondContact O-CG 3.28Å; C181-E185 PolarHBondContact O-N 3.21Å; E185-R209 IonicContact OE1-CZ 2.79Å; E185-R209 IonicContact OE1-NH1 2.84Å; E185-R209 PolarHBondContact OE1-NH1 2.8Å; E185-R209 IonicContact OE1-NH2 3.2Å; E185-R209 PolarHBondContact OE1-NH2 2.95Å; E185-F210 HydrophobicContact CG-CZ 4.27Å
186K81.1Confident89.1Confident47 Ų4731.1 Ų31.120%0.20417%0.168CC..Hα-helixtrans-86.1-31.8-178.4-68.5178.7170.6-63.70113.9D157 I160 E161 H182 I183 L184D157-K186 WeakPolarHBondContact OD1-CE 3.48Å; D157-K186 IonicContact OD1-NZ 2.75Å; D157-K186 VanDerWaalsContact OD2-CE 3.23Å; D157-K186 WeakPolarHBondContact OD2-CE 3.48Å; D157-K186 IonicContact OD2-NZ 3.84Å; D157-K186 PolarHBondContact OD2-NZ 3.49Å; I160-K186 HydrophobicContact CB-CD 4.45Å; I160-K186 HydrophobicContact CG2-CD 4.12Å; E161-K186 HydrophobicContact CG-CB 3.87Å; E161-K186 HydrophobicContact CG-CD 4.03Å; E161-K186 HydrophobicContact CG-CG 4.1Å; E161-K186 IonicContact OE1-NZ 3.69Å; E161-K186 PolarHBondContact OE1-NZ 2.87Å; H182-K186 WeakPolarHBondContact NE2-CE 3.35Å; I183-K186 PolarHBondContact O-N 3.19Å; L184-K186 PolarHBondContact O-N 2.97Å
187S76.9Confident89.3Confident11 Ų1131.1 Ų31.18%0.07717%0.167CC..Hα-helixtrans-147.829.8-169.2-166.50000114.8I183 L184 S189 L190 I191I183-S187 PolarHBondContact O-N 3.44Å; I183-S187 VanDerWaalsContact O-N 3.1Å; L184-S187 PolarHBondContact O-N 2.93Å; S187-S189 PolarHBondContact O-N 3.22Å; S187-L190 PolarHBondContact O-N 2.96Å; S187-I191 PolarHBondContact O-N 2.91Å
188S72Confident89.3Confident40 Ų4034.2 Ų34.228%0.2818%0.183SC..THydrogen-bonded Turntrans-55.8-23.9-179.746.90000114.8L184 L190L184-S188 VanDerWaalsContact O-CA 3.31Å; L184-S188 WeakPolarHBondContact O-CA 3.46Å; L184-S188 WeakPolarHBondContact O-CB 3.35Å; L184-S188 PolarHBondContact O-N 3.17Å; L184-S188 PolarHBondContact O-OG 2.78Å; S188-L190 VanDerWaalsContact C-N 3.3Å; S188-L190 PolarHBondContact O-N 3.27Å
189S79.4Confident89.5Confident101 Ų10134.2 Ų34.271%0.70619%0.187SC*.THydrogen-bonded Turntrans-73.9-20.3178.3580000113.7S187S187-S189 PolarHBondContact O-N 3.22Å
190L86.8Confident89.7Confident41 Ų4133.8 Ų33.822%0.21519%0.192CC..THydrogen-bonded Turntrans-95.7-47.5177.5-64178.5000111.5R170 S187 S188 N192R170-L190 WeakPolarHBondContact CD-O 3.02Å; R170-L190 PolarHBondContact NH1-O 2.8Å; S187-L190 PolarHBondContact O-N 2.96Å; S188-L190 VanDerWaalsContact C-N 3.3Å; S188-L190 PolarHBondContact O-N 3.27Å; L190-N192 PolarHBondContact O-N 2.92Å; L190-N192 PolarHBondContact O-OD1 2.82Å
191I92.5Very high89.9Confident1 Ų139.3 Ų39.31%0.00523%0.228CC..  trans-66.5130.9-174.9-51.2-51.9000111.6L164 L169 V172 L184 S187 V194 V214L164-I191 HydrophobicContact CD2-CD1 4.35Å; L169-I191 HydrophobicContact CB-CD1 4.07Å; L169-I191 WeakPolarHBondContact O-CD1 3.44Å; V172-I191 HydrophobicContact CG2-CD1 3.63Å; V172-I191 HydrophobicContact CG2-CG1 4.34Å; V172-I191 HydrophobicContact CG2-CG2 4.42Å; L184-I191 HydrophobicContact CD2-CB 3.7Å; L184-I191 HydrophobicContact CD2-CG1 3.97Å; L184-I191 HydrophobicContact CD2-CG2 3.84Å; S187-I191 PolarHBondContact O-N 2.91Å; I191-V194 HydrophobicContact CG2-CG2 3.68Å; I191-V214 HydrophobicContact CG2-CG1 4.25Å
192N93.5Very high90.1Very high53 Ų5342.4 Ų42.428%0.28324%0.24SC..  trans-110.7-27.1177-65.9116.6000113.4I117 R170 L190 K215I117-N192 HydrophobicContact CD1-CB 4.08Å; I117-N192 HydrophobicContact CG1-CB 4.29Å; I117-N192 HydrophobicContact CG2-CB 4.49Å; R170-N192 HydrophobicContact CB-CB 4.49Å; R170-N192 WeakPolarHBondContact CD-OD1 3.37Å; R170-N192 PolarHBondContact O-N 3.16Å; L190-N192 PolarHBondContact O-N 2.92Å; L190-N192 PolarHBondContact O-OD1 2.82Å; N192-K215 PolarHBondContact O-N 2.72Å
193L95.2Very high90.4Very high2 Ų239.4 Ų39.41%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-141.2132.3-174.8169.469.2000110.2V113 I117 R170 V171 V172 I195 K215 Y217 F222V113-L193 HydrophobicContact CB-CD2 4.39Å; V113-L193 HydrophobicContact CG1-CD1 3.95Å; V113-L193 HydrophobicContact CG1-CD2 3.85Å; I117-L193 HydrophobicContact CD1-CB 3.94Å; I117-L193 HydrophobicContact CD1-CD2 4.34Å; R170-L193 PolarHBondContact O-N 3.14Å; R170-L193 VanDerWaalsContact O-N 3.09Å; V171-L193 VanDerWaalsContact CA-O 3.27Å; V171-L193 WeakPolarHBondContact CA-O 3.03Å; V171-L193 HydrophobicContact CG1-CB 4.43Å; V171-L193 HydrophobicContact CG1-CD2 3.95Å; V171-L193 HydrophobicContact CG1-CG 4.12Å; V171-L193 HydrophobicContact CG2-CB 4.04Å; V171-L193 HydrophobicContact CG2-CD2 3.99Å; V171-L193 HydrophobicContact CG2-CG 4.39Å; V172-L193 PolarHBondContact N-O 2.88Å; V172-L193 VanDerWaalsContact N-O 3.08Å; L193-I195 HydrophobicContact CD1-CD1 4.45Å; L193-I195 HydrophobicContact CD2-CD1 4.11Å; L193-I195 HydrophobicContact CG-CD1 3.92Å; L193-K215 CarbonylContact C-O 3.58Å; L193-K215 WeakPolarHBondContact CA-O 3.45Å; L193-K215 HydrophobicContact CD1-CB 4.12Å; L193-Y217 HydrophobicContact CD1-CD2 3.57Å; L193-Y217 HydrophobicContact CD1-CE2 3.81Å; L193-F222 HydrophobicContact CD1-CE2 4.43Å; L193-F222 HydrophobicContact CD2-CE2 4.21Å; L193-F222 HydrophobicContact CD2-CZ 4.32Å
194V95.9Very high90.7Very high2 Ų241.8 Ų41.81%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-125.6134.4174.9175.10000109.2V172 I180 L184 I191 V214 K215 I216 Y217V172-V194 CarbonylContact O-C 3.21Å; V172-V194 VanDerWaalsContact O-CA 3.29Å; V172-V194 WeakPolarHBondContact O-CA 3.41Å; I180-V194 HydrophobicContact CD1-CG1 4Å; I180-V194 HydrophobicContact CG1-CG1 3.81Å; I180-V194 HydrophobicContact CG2-CG1 4.08Å; L184-V194 HydrophobicContact CD1-CG2 4.46Å; L184-V194 HydrophobicContact CD2-CG2 4.22Å; I191-V194 HydrophobicContact CG2-CG2 3.68Å; V194-V214 HydrophobicContact CB-CG1 4.3Å; V194-V214 HydrophobicContact CG2-CG1 3.67Å; V194-K215 PolarHBondContact N-O 2.8Å; V194-I216 HydrophobicContact CB-CG1 4.27Å; V194-I216 HydrophobicContact CB-CG2 4.48Å; V194-I216 HydrophobicContact CG1-CG2 4.44Å; V194-I216 WeakPolarHBondContact O-CA 3.33Å; V194-Y217 PolarHBondContact O-N 2.94Å
195I97.6Very high90.9Very high0 Ų045.3 Ų45.30%026%0.264CS..EExtended strand (participates in β ladder)trans-113.6123.1170.7-55.288000107.5F106 V171 V172 V173 C174 L193 Y217 F219 F222F106-I195 HydrophobicContact CE2-CG2 4.19Å; V171-I195 HydrophobicContact CG1-CD1 3.73Å; V172-I195 PolarHBondContact O-N 3.22Å; V173-I195 CarbonylContact C-O 3.54Å; V173-I195 VanDerWaalsContact CA-O 3.22Å; V173-I195 WeakPolarHBondContact CA-O 3.44Å; V173-I195 HydrophobicContact CG2-CB 4.33Å; V173-I195 HydrophobicContact CG2-CD1 4.33Å; C174-I195 PolarHBondContact N-O 3.08Å; L193-I195 HydrophobicContact CD1-CD1 4.45Å; L193-I195 HydrophobicContact CD2-CD1 4.11Å; L193-I195 HydrophobicContact CG-CD1 3.92Å; I195-Y217 CarbonylContact C-O 3.49Å; I195-Y217 WeakPolarHBondContact CA-O 3.46Å; I195-F219 HydrophobicContact CG2-CB 4.3Å; I195-F219 HydrophobicContact CG2-CD2 4.01Å; I195-F222 HydrophobicContact CD1-CE1 4.42Å; I195-F222 HydrophobicContact CD1-CE2 4.32Å; I195-F222 HydrophobicContact CD1-CZ 4.15Å; I195-F222 HydrophobicContact CG1-CD1 4.07Å; I195-F222 HydrophobicContact CG1-CD2 3.88Å; I195-F222 HydrophobicContact CG1-CE1 4.13Å; I195-F222 HydrophobicContact CG1-CE2 3.95Å; I195-F222 HydrophobicContact CG1-CG 3.93Å; I195-F222 HydrophobicContact CG1-CZ 4.06Å; I195-F222 HydrophobicContact CG2-CB 4.13Å; I195-F222 HydrophobicContact CG2-CG 4.3Å
196V97.1Very high91.1Very high0 Ų040.3 Ų40.30%024%0.24CC..EExtended strand (participates in β ladder)trans-111.9134.5-18059.80000111.6C174 I180 N198 V203 I216 Y217 L218 F219C174-V196 WeakPolarHBondContact O-CA 3.3Å; I180-V196 HydrophobicContact CD1-CB 3.52Å; I180-V196 HydrophobicContact CD1-CG1 3.97Å; I180-V196 HydrophobicContact CD1-CG2 3.72Å; I180-V196 HydrophobicContact CG1-CB 4.36Å; I180-V196 HydrophobicContact CG1-CG2 4.41Å; V196-N198 WeakPolarHBondContact CG2-O 3.07Å; V196-V203 HydrophobicContact CG1-CG1 3.82Å; V196-V203 HydrophobicContact CG1-CG2 4Å; V196-V203 HydrophobicContact CG2-CG2 3.93Å; V196-I216 HydrophobicContact CG1-CG2 4.37Å; V196-Y217 PolarHBondContact N-O 3.2Å; V196-L218 HydrophobicContact CG1-CD2 3.59Å; V196-L218 CarbonylContact O-C 3.5Å; V196-L218 WeakPolarHBondContact O-CA 3.31Å; V196-F219 PolarHBondContact O-N 3.41Å
197V96.3Very high91.7Very high22 Ų2241.3 Ų41.313%0.13325%0.245CC..SBendtrans-73.9-56.7-178.4175.30000111.7E133 C174 F219E133-V197 HydrophobicContact CB-CB 4.37Å; E133-V197 HydrophobicContact CB-CG1 3.87Å; E133-V197 HydrophobicContact CB-CG2 3.58Å; E133-V197 HydrophobicContact CG-CB 4.42Å; E133-V197 HydrophobicContact CG-CG1 3.6Å; E133-V197 HydrophobicContact CG-CG2 4.09Å; C174-V197 WeakPolarHBondContact O-CG2 3.29Å; C174-V197 PolarHBondContact O-N 3.45Å; V197-F219 HydrophobicContact CG2-CD2 4.23Å
198N93.5Very high92.5Very high67 Ų6746.3 Ų46.336%0.35827%0.274SS..SBendtrans-102.1123.3-176.9-55.6-71.3000110.7D175 V196D175-N198 VanDerWaalsContact O-CB 3.31Å; D175-N198 WeakPolarHBondContact O-CB 3.49Å; D175-N198 PolarHBondContact O-N 2.71Å; D175-N198 PolarHBondContact O-ND2 2.84Å; D175-N198 PolarHBondContact OD1-ND2 3.31Å; V196-N198 WeakPolarHBondContact CG2-O 3.07Å
199D94.4Very high93.5Very high112 Ų11250.3 Ų50.360%0.59928%0.283SS*.  trans-69.1156.5171.9-165.217.3000111.2L218D199-L218 HydrophobicContact CB-CD1 4.05Å; D199-L218 HydrophobicContact CB-CD2 3.8Å
200G93.6Very high94.1Very high26 Ų2646.3 Ų46.327%0.26825%0.253SS..  trans172.4175178.600000113.4K202 V203 A204G200-K202 PolarHBondContact O-N 3.46Å; G200-K202 VanDerWaalsContact O-N 3.15Å; G200-V203 WeakPolarHBondContact O-CB 3.08Å; G200-V203 PolarHBondContact O-N 3.22Å; G200-A204 PolarHBondContact O-N 3.29Å
201P94.1Very high94.1Very high117 Ų11748.3 Ų48.376%0.7627%0.271SS*.Hα-helixtrans-55.4-36.9-176.6-26.134.8000113.6V203 A204 E205P201-V203 VanDerWaalsContact C-N 3.32Å; P201-V203 PolarHBondContact O-N 3.07Å; P201-A204 PolarHBondContact O-N 3.22Å; P201-E205 PolarHBondContact O-N 3.02Å
202K94.6Very high93.9Very high74 Ų7452.9 Ų52.932%0.32230%0.302SS..Hα-helixtrans-68.6-26.8177.1-75.6-66.2-175.1-175.50113.9E178 G200 E205 A206E178-K202 HydrophobicContact CG-CG 4.11Å; E178-K202 WeakPolarHBondContact OE1-CG 3.28Å; G200-K202 PolarHBondContact O-N 3.46Å; G200-K202 VanDerWaalsContact O-N 3.15Å; K202-E205 VanDerWaalsContact CD-OE2 3.27Å; K202-E205 WeakPolarHBondContact CD-OE2 3.38Å; K202-E205 WeakPolarHBondContact CE-OE2 3.23Å; K202-E205 IonicContact NZ-OE1 3.48Å; K202-E205 PolarHBondContact NZ-OE1 3.4Å; K202-E205 IonicContact NZ-OE2 2.93Å; K202-E205 PolarHBondContact NZ-OE2 2.87Å; K202-E205 PolarHBondContact O-N 2.93Å; K202-A206 WeakPolarHBondContact O-CB 3.45Å; K202-A206 PolarHBondContact O-N 2.77Å
203V95.5Very high93.6Very high1 Ų155.1 Ų55.11%0.00632%0.315CS..Hα-helixtrans-68.6-42.9172.8179.20000110.3I180 V196 G200 P201 A206 K207 L218I180-V203 HydrophobicContact CD1-CG2 4.32Å; V196-V203 HydrophobicContact CG1-CG1 3.82Å; V196-V203 HydrophobicContact CG1-CG2 4Å; V196-V203 HydrophobicContact CG2-CG2 3.93Å; G200-V203 WeakPolarHBondContact O-CB 3.08Å; G200-V203 PolarHBondContact O-N 3.22Å; P201-V203 VanDerWaalsContact C-N 3.32Å; P201-V203 PolarHBondContact O-N 3.07Å; V203-A206 PolarHBondContact O-N 2.86Å; V203-K207 HydrophobicContact CG1-CD 4.4Å; V203-K207 WeakPolarHBondContact O-CB 3.47Å; V203-K207 WeakPolarHBondContact O-CG 3.32Å; V203-K207 PolarHBondContact O-N 3.46Å; V203-L218 HydrophobicContact CG1-CD2 3.97Å
204A94.7Very high93.5Very high55 Ų5555.3 Ų55.346%0.45532%0.316SS..Hα-helixtrans-62.2-43.3174.900000111.5G200 P201 K207 V208G200-A204 PolarHBondContact O-N 3.29Å; P201-A204 PolarHBondContact O-N 3.22Å; A204-K207 PolarHBondContact O-N 3.18Å; A204-V208 WeakPolarHBondContact O-CG2 3.46Å; A204-V208 PolarHBondContact O-N 2.58Å; A204-V208 VanDerWaalsContact O-N 3.12Å
205E94.8Very high93.5Very high74 Ų7461.1 Ų61.135%0.34634%0.341SS..Hα-helixtrans-57.4-50.3172.8-175.8-171.4135.100111.5P201 K202 K207 V208 R209P201-E205 PolarHBondContact O-N 3.02Å; K202-E205 VanDerWaalsContact CD-OE2 3.27Å; K202-E205 WeakPolarHBondContact CD-OE2 3.38Å; K202-E205 WeakPolarHBondContact CE-OE2 3.23Å; K202-E205 IonicContact NZ-OE1 3.48Å; K202-E205 PolarHBondContact NZ-OE1 3.4Å; K202-E205 IonicContact NZ-OE2 2.93Å; K202-E205 PolarHBondContact NZ-OE2 2.87Å; K202-E205 PolarHBondContact O-N 2.93Å; E205-K207 PolarHBondContact O-N 2.85Å; E205-V208 PolarHBondContact O-N 2.87Å; E205-R209 VanDerWaalsContact O-CB 3.29Å; E205-R209 WeakPolarHBondContact O-CB 3.43Å; E205-R209 PolarHBondContact O-N 3.39Å; E205-R209 IonicContact OE1-NH1 2.69Å
206A93.4Very high93.4Very high0 Ų062 Ų620%035%0.345CS..Hα-helixtrans-61.7-42.3179.900000112.1I180 K202 V203 V208 R209 F210 I216I180-A206 HydrophobicContact CB-CB 4.45Å; I180-A206 HydrophobicContact CG2-CB 3.82Å; K202-A206 WeakPolarHBondContact O-CB 3.45Å; K202-A206 PolarHBondContact O-N 2.77Å; V203-A206 PolarHBondContact O-N 2.86Å; A206-V208 VanDerWaalsContact C-N 3.28Å; A206-V208 PolarHBondContact O-N 2.74Å; A206-R209 PolarHBondContact O-N 3.4Å; A206-F210 HydrophobicContact CB-CD2 4.16Å; A206-F210 WeakPolarHBondContact O-CD2 3.24Å; A206-F210 PolarHBondContact O-N 3.23Å; A206-I216 HydrophobicContact CB-CD1 3.83Å
207K93.9Very high93.4Very high69 Ų6965 Ų6530%0.336%0.357SS..Hα-helixtrans-57.7-40.9175.8-83.1-179.8174.7-177.10111.2V203 A204 E205 S211 I216 E221V203-K207 HydrophobicContact CG1-CD 4.4Å; V203-K207 WeakPolarHBondContact O-CB 3.47Å; V203-K207 WeakPolarHBondContact O-CG 3.32Å; V203-K207 PolarHBondContact O-N 3.46Å; A204-K207 PolarHBondContact O-N 3.18Å; E205-K207 PolarHBondContact O-N 2.85Å; K207-S211 WeakPolarHBondContact O-CB 3.17Å; K207-S211 PolarHBondContact O-N 3.19Å; K207-I216 VanDerWaalsContact CE-O 3.27Å; K207-I216 WeakPolarHBondContact CE-O 3.38Å; K207-I216 HydrophobicContact CG-CB 3.89Å; K207-I216 HydrophobicContact CG-CD1 4.31Å; K207-I216 HydrophobicContact CG-CG2 4.16Å; K207-E221 IonicContact NZ-OE1 3.97Å; K207-E221 IonicContact NZ-OE2 3.42Å
208V93.8Very high93.5Very high116 Ų11665.4 Ų65.470%0.70336%0.358SS*.Hα-helixtrans-72.3-52.8176.51750000110.9A204 E205 A206 F210 S211A204-V208 WeakPolarHBondContact O-CG2 3.46Å; A204-V208 PolarHBondContact O-N 2.58Å; A204-V208 VanDerWaalsContact O-N 3.12Å; E205-V208 PolarHBondContact O-N 2.87Å; A206-V208 VanDerWaalsContact C-N 3.28Å; A206-V208 PolarHBondContact O-N 2.74Å; V208-F210 PolarHBondContact O-N 3.22Å; V208-S211 PolarHBondContact O-OG 3.34Å
209R92.9Very high93.7Very high123 Ų12362.4 Ų62.446%0.46434%0.342SS..Hα-helixtrans-66.3-34.4-170.1-174.9173.6173.8-162.6-6.7113.9E185 E205 A206E185-R209 IonicContact OE1-CZ 2.79Å; E185-R209 IonicContact OE1-NH1 2.84Å; E185-R209 PolarHBondContact OE1-NH1 2.8Å; E185-R209 IonicContact OE1-NH2 3.2Å; E185-R209 PolarHBondContact OE1-NH2 2.95Å; E205-R209 VanDerWaalsContact O-CB 3.29Å; E205-R209 WeakPolarHBondContact O-CB 3.43Å; E205-R209 PolarHBondContact O-N 3.39Å; E205-R209 IonicContact OE1-NH1 2.69Å; A206-R209 PolarHBondContact O-N 3.4Å
210F92.7Very high93.9Very high18 Ų1862.4 Ų62.48%0.07934%0.342CS..THydrogen-bonded Turntrans-113.56.8-174.8-55.4-75.2000113.9L184 E185 A206 V208 S212 N213 V214L184-F210 HydrophobicContact CB-CD1 3.97Å; L184-F210 HydrophobicContact CB-CD2 4.08Å; L184-F210 HydrophobicContact CB-CE1 3.74Å; L184-F210 HydrophobicContact CB-CE2 3.87Å; L184-F210 HydrophobicContact CB-CG 4.14Å; L184-F210 HydrophobicContact CB-CZ 3.68Å; L184-F210 HydrophobicContact CD1-CB 3.85Å; L184-F210 HydrophobicContact CD1-CD1 4.23Å; L184-F210 HydrophobicContact CD1-CD2 3.49Å; L184-F210 VanDerWaalsContact CD1-CD2 3.49Å; L184-F210 HydrophobicContact CD1-CE2 4.04Å; L184-F210 HydrophobicContact CD1-CG 3.6Å; L184-F210 HydrophobicContact CG-CD2 4.45Å; E185-F210 HydrophobicContact CG-CZ 4.27Å; A206-F210 HydrophobicContact CB-CD2 4.16Å; A206-F210 WeakPolarHBondContact O-CD2 3.24Å; A206-F210 PolarHBondContact O-N 3.23Å; V208-F210 PolarHBondContact O-N 3.22Å; F210-S212 PolarHBondContact O-N 3.08Å; F210-N213 PolarHBondContact O-N 3.29Å; F210-N213 VanDerWaalsContact O-N 3.12Å; F210-V214 HydrophobicContact CB-CB 4.22Å; F210-V214 HydrophobicContact CB-CG2 4.07Å; F210-V214 PolarHBondContact O-N 2.92Å
211S87.1Confident94.1Very high83 Ų8365 Ų6558%0.5835%0.347SS*.THydrogen-bonded Turntrans-52.1-30.3-177.346.40000115.3K207 V208 N213K207-S211 WeakPolarHBondContact O-CB 3.17Å; K207-S211 PolarHBondContact O-N 3.19Å; V208-S211 PolarHBondContact O-OG 3.34Å; S211-N213 VanDerWaalsContact C-N 3.29Å; S211-N213 PolarHBondContact O-N 3Å
212S87.8Confident94.3Very high96 Ų9659.4 Ų59.467%0.67131%0.311SS*.THydrogen-bonded Turntrans-66.8-29.6-177.851.90000113.3F210F210-S212 PolarHBondContact O-N 3.08Å
213N87.2Confident94.5Very high101 Ų10156 Ų5654%0.5430%0.296SS..THydrogen-bonded Turntrans-123.7-23.8-170.6-62.7-29.8000113.3F210 S211F210-N213 PolarHBondContact O-N 3.29Å; F210-N213 VanDerWaalsContact O-N 3.12Å; S211-N213 VanDerWaalsContact C-N 3.29Å; S211-N213 PolarHBondContact O-N 3Å
214V93.3Very high94.6Very high5 Ų558.8 Ų58.83%0.0332%0.319CS..  trans-125.5124-169.3-167.50000110.7L184 I191 V194 F210 I216L184-V214 HydrophobicContact CD1-CB 4.47Å; L184-V214 HydrophobicContact CD1-CG1 4.23Å; L184-V214 HydrophobicContact CD1-CG2 4.24Å; L184-V214 HydrophobicContact CD2-CG1 4.31Å; L184-V214 HydrophobicContact CD2-CG2 4.02Å; I191-V214 HydrophobicContact CG2-CG1 4.25Å; V194-V214 HydrophobicContact CB-CG1 4.3Å; V194-V214 HydrophobicContact CG2-CG1 3.67Å; F210-V214 HydrophobicContact CB-CB 4.22Å; F210-V214 HydrophobicContact CB-CG2 4.07Å; F210-V214 PolarHBondContact O-N 2.92Å; V214-I216 HydrophobicContact CG1-CG1 4.08Å
215K94.6Very high94.8Very high124 Ų12457.9 Ų57.954%0.53931%0.306SS..EExtended strand (participates in β ladder)trans-82.5128167.4-66.6-178.9-177.7174.70109.2N192 L193 V194 Y217N192-K215 PolarHBondContact O-N 2.72Å; L193-K215 CarbonylContact C-O 3.58Å; L193-K215 WeakPolarHBondContact CA-O 3.45Å; L193-K215 HydrophobicContact CD1-CB 4.12Å; V194-K215 PolarHBondContact N-O 2.8Å; K215-Y217 HydrophobicContact CB-CE2 4.07Å
216I95.7Very high95Very high18 Ų1854.3 Ų54.39%0.09229%0.29CS..EExtended strand (participates in β ladder)trans-120.2121.2-179.3-51.5-176.7000109.1I180 L184 V194 V196 A206 K207 V214I180-I216 HydrophobicContact CD1-CG2 4.32Å; I180-I216 HydrophobicContact CG2-CD1 4.29Å; L184-I216 HydrophobicContact CD1-CD1 4.45Å; V194-I216 HydrophobicContact CB-CG1 4.27Å; V194-I216 HydrophobicContact CB-CG2 4.48Å; V194-I216 HydrophobicContact CG1-CG2 4.44Å; V194-I216 WeakPolarHBondContact O-CA 3.33Å; V196-I216 HydrophobicContact CG1-CG2 4.37Å; A206-I216 HydrophobicContact CB-CD1 3.83Å; K207-I216 VanDerWaalsContact CE-O 3.27Å; K207-I216 WeakPolarHBondContact CE-O 3.38Å; K207-I216 HydrophobicContact CG-CB 3.89Å; K207-I216 HydrophobicContact CG-CD1 4.31Å; K207-I216 HydrophobicContact CG-CG2 4.16Å; V214-I216 HydrophobicContact CG1-CG1 4.08Å
217Y97.4Very high95.2Very high63 Ų6359.2 Ų59.225%0.24731%0.311CS..EExtended strand (participates in β ladder)trans-114.7142.5175.3-69.3-88.9000110.4V113 L193 V194 I195 V196 K215 E221 F222 I225V113-Y217 HydrophobicContact CG1-CE2 4.04Å; L193-Y217 HydrophobicContact CD1-CD2 3.57Å; L193-Y217 HydrophobicContact CD1-CE2 3.81Å; V194-Y217 PolarHBondContact O-N 2.94Å; I195-Y217 CarbonylContact C-O 3.49Å; I195-Y217 WeakPolarHBondContact CA-O 3.46Å; V196-Y217 PolarHBondContact N-O 3.2Å; K215-Y217 HydrophobicContact CB-CE2 4.07Å; Y217-E221 HydrophobicContact CD1-CB 4.31Å; Y217-F222 HydrophobicContact CD2-CD2 4.14Å; Y217-F222 HydrophobicContact CD2-CE2 4.45Å; Y217-F222 HydrophobicContact CG-CD2 4.02Å; Y217-I225 HydrophobicContact CD1-CD1 4.02Å; Y217-I225 HydrophobicContact CE1-CD1 3.6Å
218L98Very high95.4Very high31 Ų3163.9 Ų63.916%0.16233%0.332CS..EExtended strand (participates in β ladder)trans-68.1151.5159.7-58.2-179.6000109.2V196 D199 V203 D220 E221 F222V196-L218 HydrophobicContact CG1-CD2 3.59Å; V196-L218 CarbonylContact O-C 3.5Å; V196-L218 WeakPolarHBondContact O-CA 3.31Å; D199-L218 HydrophobicContact CB-CD1 4.05Å; D199-L218 HydrophobicContact CB-CD2 3.8Å; V203-L218 HydrophobicContact CG1-CD2 3.97Å; L218-D220 VanDerWaalsContact C-N 3.31Å; L218-D220 PolarHBondContact O-N 3.31Å; L218-E221 HydrophobicContact CB-CB 4.3Å; L218-E221 HydrophobicContact CB-CG 3.9Å; L218-E221 HydrophobicContact CG-CG 4.41Å; L218-E221 PolarHBondContact N-OE2 2.88Å; L218-E221 WeakPolarHBondContact O-CB 3.34Å; L218-E221 PolarHBondContact O-N 3.01Å; L218-E221 VanDerWaalsContact O-N 3.11Å; L218-F222 PolarHBondContact O-N 3.5Å
219F98.3Very high95.5Very high4 Ų463.4 Ų63.42%0.01832%0.318CS..Hα-helixtrans-57-44.3-177.7-169.4-90000112.1F106 E133 I136 A137 I195 V196 V197 F222 L223F106-F219 HydrophobicContact CD2-CD2 4.17Å; F106-F219 AromaticContact CD2-CE2 3.47Å; F106-F219 HydrophobicContact CD2-CE2 3.47Å; F106-F219 VanDerWaalsContact CD2-CE2 3.47Å; F106-F219 AromaticContact CD2-CZ 3.72Å; F106-F219 HydrophobicContact CD2-CZ 3.72Å; F106-F219 AromaticContact CE2-CD2 3.87Å; F106-F219 HydrophobicContact CE2-CD2 3.87Å; F106-F219 AromaticContact CE2-CE2 3.39Å; F106-F219 HydrophobicContact CE2-CE2 3.39Å; F106-F219 HydrophobicContact CE2-CZ 4.14Å; E133-F219 HydrophobicContact CB-CD1 4.28Å; E133-F219 HydrophobicContact CB-CD2 3.97Å; E133-F219 HydrophobicContact CB-CE1 4.01Å; E133-F219 HydrophobicContact CB-CE2 3.69Å; E133-F219 HydrophobicContact CB-CG 4.26Å; E133-F219 HydrophobicContact CB-CZ 3.72Å; E133-F219 HydrophobicContact CG-CD1 3.56Å; E133-F219 HydrophobicContact CG-CD2 4.06Å; E133-F219 HydrophobicContact CG-CE1 3.55Å; E133-F219 HydrophobicContact CG-CE2 4.07Å; E133-F219 HydrophobicContact CG-CG 3.82Å; E133-F219 HydrophobicContact CG-CZ 3.83Å; I136-F219 HydrophobicContact CB-CZ 4.21Å; I136-F219 HydrophobicContact CG2-CZ 3.93Å; A137-F219 HydrophobicContact CB-CE2 4.33Å; I195-F219 HydrophobicContact CG2-CB 4.3Å; I195-F219 HydrophobicContact CG2-CD2 4.01Å; V196-F219 PolarHBondContact O-N 3.41Å; V197-F219 HydrophobicContact CG2-CD2 4.23Å; F219-F222 WeakPolarHBondContact O-CB 3.44Å; F219-F222 PolarHBondContact O-N 2.86Å; F219-L223 HydrophobicContact CD1-CD1 3.94Å; F219-L223 HydrophobicContact CD1-CG 3.99Å; F219-L223 HydrophobicContact CE1-CD1 3.7Å; F219-L223 HydrophobicContact CE1-CD2 4.01Å; F219-L223 HydrophobicContact CE1-CG 3.86Å; F219-L223 HydrophobicContact CZ-CD2 4.4Å; F219-L223 WeakPolarHBondContact O-CG 3.25Å; F219-L223 PolarHBondContact O-N 3.13Å
220D98.2Very high95.6Very high112 Ų11263.4 Ų63.460%0.59932%0.323SS*.Hα-helixtrans-69-33.8177.5-73.7-34.2000113.2L218 F222 L223 A224L218-D220 VanDerWaalsContact C-N 3.31Å; L218-D220 PolarHBondContact O-N 3.31Å; D220-F222 VanDerWaalsContact C-N 3.27Å; D220-F222 PolarHBondContact O-N 3.26Å; D220-L223 PolarHBondContact O-N 2.92Å; D220-A224 WeakPolarHBondContact O-CB 3.3Å; D220-A224 PolarHBondContact O-N 2.81Å
221E98.1Very high95.9Very high81 Ų8165 Ų6538%0.37933%0.332SS..Hα-helixtrans-61.5-40.8171.2-66.7171163.400110.2K207 Y217 L218 A224 I225K207-E221 IonicContact NZ-OE1 3.97Å; K207-E221 IonicContact NZ-OE2 3.42Å; Y217-E221 HydrophobicContact CD1-CB 4.31Å; L218-E221 HydrophobicContact CB-CB 4.3Å; L218-E221 HydrophobicContact CB-CG 3.9Å; L218-E221 HydrophobicContact CG-CG 4.41Å; L218-E221 PolarHBondContact N-OE2 2.88Å; L218-E221 WeakPolarHBondContact O-CB 3.34Å; L218-E221 PolarHBondContact O-N 3.01Å; L218-E221 VanDerWaalsContact O-N 3.11Å; E221-A224 PolarHBondContact O-N 3.4Å; E221-I225 PolarHBondContact O-N 3.32Å
222F98.3Very high96.4Very high0 Ų065.8 Ų65.80%034%0.335CS..Hα-helixtrans-67.4-44177.9-155.6-108.4000111.6F106 A109 L110 V113 L193 I195 Y217 L218 F219 D220 A224 I225 G226F106-F222 AromaticContact CD2-CD1 3.87Å; F106-F222 HydrophobicContact CD2-CD1 3.87Å; F106-F222 HydrophobicContact CD2-CE1 4.33Å; F106-F222 HydrophobicContact CE1-CE1 4.34Å; F106-F222 AromaticContact CE2-CD1 3.82Å; F106-F222 HydrophobicContact CE2-CD1 3.82Å; F106-F222 HydrophobicContact CE2-CE1 4.15Å; F106-F222 HydrophobicContact CG-CD1 4.37Å; F106-F222 HydrophobicContact CZ-CD1 4.29Å; F106-F222 HydrophobicContact CZ-CE1 4.15Å; A109-F222 HydrophobicContact CB-CD1 3.51Å; A109-F222 HydrophobicContact CB-CD2 4.26Å; A109-F222 HydrophobicContact CB-CE1 3.46Å; A109-F222 VanDerWaalsContact CB-CE1 3.46Å; A109-F222 HydrophobicContact CB-CE2 4.22Å; A109-F222 HydrophobicContact CB-CG 3.94Å; A109-F222 HydrophobicContact CB-CZ 3.84Å; A109-F222 WeakPolarHBondContact CB-O 3.36Å; L110-F222 HydrophobicContact CB-CE1 4.19Å; L110-F222 HydrophobicContact CB-CZ 4.3Å; L110-F222 HydrophobicContact CD1-CZ 4.38Å; V113-F222 HydrophobicContact CB-CE2 4.02Å; V113-F222 HydrophobicContact CB-CZ 4.44Å; V113-F222 HydrophobicContact CG1-CE2 4.28Å; V113-F222 HydrophobicContact CG2-CE2 3.92Å; L193-F222 HydrophobicContact CD1-CE2 4.43Å; L193-F222 HydrophobicContact CD2-CE2 4.21Å; L193-F222 HydrophobicContact CD2-CZ 4.32Å; I195-F222 HydrophobicContact CD1-CE1 4.42Å; I195-F222 HydrophobicContact CD1-CE2 4.32Å; I195-F222 HydrophobicContact CD1-CZ 4.15Å; I195-F222 HydrophobicContact CG1-CD1 4.07Å; I195-F222 HydrophobicContact CG1-CD2 3.88Å; I195-F222 HydrophobicContact CG1-CE1 4.13Å; I195-F222 HydrophobicContact CG1-CE2 3.95Å; I195-F222 HydrophobicContact CG1-CG 3.93Å; I195-F222 HydrophobicContact CG1-CZ 4.06Å; I195-F222 HydrophobicContact CG2-CB 4.13Å; I195-F222 HydrophobicContact CG2-CG 4.3Å; Y217-F222 HydrophobicContact CD2-CD2 4.14Å; Y217-F222 HydrophobicContact CD2-CE2 4.45Å; Y217-F222 HydrophobicContact CG-CD2 4.02Å; L218-F222 PolarHBondContact O-N 3.5Å; F219-F222 WeakPolarHBondContact O-CB 3.44Å; F219-F222 PolarHBondContact O-N 2.86Å; D220-F222 VanDerWaalsContact C-N 3.27Å; D220-F222 PolarHBondContact O-N 3.26Å; F222-A224 VanDerWaalsContact C-N 3.31Å; F222-A224 PolarHBondContact O-N 2.99Å; F222-I225 WeakPolarHBondContact O-CB 3.39Å; F222-I225 PolarHBondContact O-N 3.44Å; F222-G226 PolarHBondContact O-N 3.43Å; F222-G226 VanDerWaalsContact O-N 3.15Å
223L98.7Very high96.8Very high3 Ų363.3 Ų63.32%0.01631%0.312CS..Hα-helixtrans-59.2-40.6173.2-67.9-172.9000112.2K102 A105 F106 F219 D220 I225 G226 F227K102-L223 HydrophobicContact CB-CD1 4.45Å; K102-L223 HydrophobicContact CD-CD1 4.16Å; K102-L223 HydrophobicContact CG-CD1 4.02Å; A105-L223 HydrophobicContact CB-CB 4.48Å; A105-L223 HydrophobicContact CB-CD2 4.04Å; F106-L223 HydrophobicContact CB-CD2 3.77Å; F106-L223 HydrophobicContact CD2-CD2 4.28Å; F219-L223 HydrophobicContact CD1-CD1 3.94Å; F219-L223 HydrophobicContact CD1-CG 3.99Å; F219-L223 HydrophobicContact CE1-CD1 3.7Å; F219-L223 HydrophobicContact CE1-CD2 4.01Å; F219-L223 HydrophobicContact CE1-CG 3.86Å; F219-L223 HydrophobicContact CZ-CD2 4.4Å; F219-L223 WeakPolarHBondContact O-CG 3.25Å; F219-L223 PolarHBondContact O-N 3.13Å; D220-L223 PolarHBondContact O-N 2.92Å; L223-I225 VanDerWaalsContact C-N 3.3Å; L223-I225 PolarHBondContact O-N 3.42Å; L223-G226 CarbonylContact O-C 3.44Å; L223-G226 WeakPolarHBondContact O-CA 3.33Å; L223-G226 PolarHBondContact O-N 3.31Å; L223-F227 HydrophobicContact CB-CD2 4.35Å; L223-F227 HydrophobicContact CB-CE2 4.1Å; L223-F227 WeakPolarHBondContact O-CD2 3.27Å; L223-F227 PolarHBondContact O-N 3.45Å
224A98.6Very high97.2Very high59 Ų5961.3 Ų61.349%0.48830%0.304SS..Hα-helixtrans-61.1-37.7178.900000112.6D220 E221 F222 G226 K228D220-A224 WeakPolarHBondContact O-CB 3.3Å; D220-A224 PolarHBondContact O-N 2.81Å; E221-A224 PolarHBondContact O-N 3.4Å; F222-A224 VanDerWaalsContact C-N 3.31Å; F222-A224 PolarHBondContact O-N 2.99Å; A224-G226 VanDerWaalsContact C-N 3.32Å; A224-K228 PolarHBondContact O-N 3.31Å
225I98.4Very high97.2Very high35 Ų3567.5 Ų67.518%0.17934%0.336CS..Hα-helixtrans-59.8-47.9170.2-64.9169.6000109.5A109 K112 V113 Y217 E221 F222 L223 F227 K228 Y229A109-I225 HydrophobicContact CB-CB 4.17Å; A109-I225 HydrophobicContact CB-CG2 4.15Å; K112-I225 HydrophobicContact CG-CG2 4.45Å; V113-I225 HydrophobicContact CG2-CD1 4.12Å; V113-I225 HydrophobicContact CG2-CG2 4.18Å; Y217-I225 HydrophobicContact CD1-CD1 4.02Å; Y217-I225 HydrophobicContact CE1-CD1 3.6Å; E221-I225 PolarHBondContact O-N 3.32Å; F222-I225 WeakPolarHBondContact O-CB 3.39Å; F222-I225 PolarHBondContact O-N 3.44Å; L223-I225 VanDerWaalsContact C-N 3.3Å; L223-I225 PolarHBondContact O-N 3.42Å; I225-F227 PolarHBondContact O-N 2.73Å; I225-K228 WeakPolarHBondContact O-CB 3.33Å; I225-K228 PolarHBondContact O-N 3.16Å; I225-K228 VanDerWaalsContact O-N 3.15Å; I225-Y229 HydrophobicContact CG2-CD2 3.75Å; I225-Y229 HydrophobicContact CG2-CE2 3.86Å; I225-Y229 VanDerWaalsContact O-CD2 3.25Å; I225-Y229 WeakPolarHBondContact O-CD2 3.49Å; I225-Y229 PolarHBondContact O-N 3.12Å; I225-Y229 VanDerWaalsContact O-N 3.15Å
226G98.4Very high97.3Very high0 Ų062.2 Ų62.20%032%0.315CS..Hα-helixtrans-54.5-52.4178.700000114.4A105 F222 L223 A224 K228 Y229 H230A105-G226 WeakPolarHBondContact O-CA 3.17Å; F222-G226 PolarHBondContact O-N 3.43Å; F222-G226 VanDerWaalsContact O-N 3.15Å; L223-G226 CarbonylContact O-C 3.44Å; L223-G226 WeakPolarHBondContact O-CA 3.33Å; L223-G226 PolarHBondContact O-N 3.31Å; A224-G226 VanDerWaalsContact C-N 3.32Å; G226-K228 PolarHBondContact O-N 2.87Å; G226-Y229 PolarHBondContact O-N 2.99Å; G226-H230 PolarHBondContact O-N 3.18Å
227F98.4Very high97.4Very high103 Ų10367.4 Ų67.445%0.45234%0.337SS..Hα-helixtrans-59.9-32.6177.3-74.4-59000112.7D101 K102 A105 L223 I225D101-F227 HydrophobicContact CB-CE1 4.24Å; K102-F227 HydrophobicContact CG-CZ 4.48Å; A105-F227 HydrophobicContact CB-CD1 3.86Å; A105-F227 HydrophobicContact CB-CD2 3.92Å; A105-F227 HydrophobicContact CB-CE1 3.77Å; A105-F227 HydrophobicContact CB-CE2 3.85Å; A105-F227 HydrophobicContact CB-CG 3.92Å; A105-F227 HydrophobicContact CB-CZ 3.77Å; L223-F227 HydrophobicContact CB-CD2 4.35Å; L223-F227 HydrophobicContact CB-CE2 4.1Å; L223-F227 WeakPolarHBondContact O-CD2 3.27Å; L223-F227 PolarHBondContact O-N 3.45Å; I225-F227 PolarHBondContact O-N 2.73Å
228K98.2Very high97.4Very high167 Ų16766.9 Ų66.973%0.72634%0.341SS*.Hα-helixtrans-71-40.5177.7-178.6179.4178.1177.70113A224 I225 G226A224-K228 PolarHBondContact O-N 3.31Å; I225-K228 WeakPolarHBondContact O-CB 3.33Å; I225-K228 PolarHBondContact O-N 3.16Å; I225-K228 VanDerWaalsContact O-N 3.15Å; G226-K228 PolarHBondContact O-N 2.87Å
229Y96.4Very high97.4Very high106 Ų10670.4 Ų70.442%0.41636%0.36SS..Hα-helixtrans-92.9-33.6-174.1-72.9-76000114K112 I225 G226 I231K112-Y229 HydrophobicContact CB-CD2 4.3Å; K112-Y229 HydrophobicContact CD-CD1 4.07Å; K112-Y229 HydrophobicContact CD-CD2 4.24Å; K112-Y229 HydrophobicContact CD-CE1 3.95Å; K112-Y229 HydrophobicContact CD-CE2 4.14Å; K112-Y229 HydrophobicContact CD-CG 4.22Å; K112-Y229 VanDerWaalsContact CE-CZ 3.43Å; K112-Y229 WeakPolarHBondContact CE-OH 3.43Å; K112-Y229 HydrophobicContact CG-CD1 4.39Å; K112-Y229 HydrophobicContact CG-CD2 3.66Å; K112-Y229 HydrophobicContact CG-CE1 4.37Å; K112-Y229 HydrophobicContact CG-CE2 3.66Å; K112-Y229 HydrophobicContact CG-CG 4.05Å; I225-Y229 HydrophobicContact CG2-CD2 3.75Å; I225-Y229 HydrophobicContact CG2-CE2 3.86Å; I225-Y229 VanDerWaalsContact O-CD2 3.25Å; I225-Y229 WeakPolarHBondContact O-CD2 3.49Å; I225-Y229 PolarHBondContact O-N 3.12Å; I225-Y229 VanDerWaalsContact O-N 3.15Å; G226-Y229 PolarHBondContact O-N 2.99Å; Y229-I231 PolarHBondContact O-N 2.83Å
230H94.8Very high97.4Very high122 Ų12273 Ų7357%0.56537%0.374SS*.  trans45.167174.4-165.5-73000114.2G226G226-H230 PolarHBondContact O-N 3.18Å
231I97.5Very high97.3Very high52 Ų5270 Ų7027%0.26736%0.358SS..PPolyproline II helixtrans-86.6123.3179.9-60.4176.3000108.8Q104 S108 V111 K112 Y144 Y229Q104-I231 PolarHBondContact NE2-O 3.16Å; S108-I231 PolarHBondContact OG-N 2.91Å; S108-I231 PolarHBondContact OG-O 3.39Å; V111-I231 HydrophobicContact CB-CD1 3.94Å; V111-I231 HydrophobicContact CG1-CD1 3.71Å; K112-I231 HydrophobicContact CB-CD1 4.36Å; Y144-I231 HydrophobicContact CE1-CB 4.48Å; Y144-I231 HydrophobicContact CE1-CG2 4.39Å; Y144-I231 WeakPolarHBondContact CE1-O 3.44Å; Y144-I231 PolarHBondContact OH-O 2.85Å; Y229-I231 PolarHBondContact O-N 2.83Å
232P97.6Very high97.4Very high99 Ų9966.1 Ų66.164%0.64334%0.34SS*.PPolyproline II helixtrans-53.3144.3-178.8-26.934.9000114
233K97.9Very high97.3Very high44 Ų4466.1 Ų66.119%0.19134%0.34CS..PPolyproline II helixtrans-56.5150.3170.8-54.3179.4-168.2153.60109.8D100 A143 Y144D100-K233 IonicContact OD1-NZ 3.32Å; D100-K233 PolarHBondContact OD1-NZ 3.38Å; D100-K233 IonicContact OD2-NZ 2.72Å; D100-K233 PolarHBondContact OD2-NZ 3.3Å; A143-K233 HydrophobicContact CB-CB 4.29Å; A143-K233 HydrophobicContact CB-CD 4.06Å; A143-K233 HydrophobicContact CB-CG 4.25Å; Y144-K233 HydrophobicContact CE2-CB 4.3Å; Y144-K233 HydrophobicContact CE2-CG 3.82Å
234T94.3Very high97.3Very high60 Ų6066 Ų6637%0.36834%0.339SS..PPolyproline II helixtrans-83.2167.6171.365.60000110.6K65 A143 Y144 P236K65-T234 WeakPolarHBondContact CD-O 3.28Å; K65-T234 WeakPolarHBondContact CE-O 3.46Å; A143-T234 PolarHBondContact O-N 3.03Å; A143-T234 PolarHBondContact O-OG1 3.26Å; Y144-T234 WeakPolarHBondContact CA-OG1 3.45Å; T234-P236 VanDerWaalsContact O-CD 3.27Å; T234-P236 WeakPolarHBondContact O-CD 3.06Å
235D93.2Very high97.2Very high134 Ų13463.1 Ų63.172%0.71732%0.316SS*.  trans-105.190.8168.3-70.1-41000109K65K65-D235 IonicContact NZ-OD1 2.7Å; K65-D235 PolarHBondContact NZ-OD1 3.32Å
236P96.5Very high96.8Very high14 Ų1461.5 Ų61.59%0.09131%0.307CS..  trans-63.1147.1177.828.8-34.7000109.8T63 K65 T234T63-P236 HydrophobicContact CG2-CG 4.21Å; T63-P236 WeakPolarHBondContact CG2-O 3.46Å; K65-P236 HydrophobicContact CB-CG 4.03Å; K65-P236 HydrophobicContact CD-CG 4.38Å; T234-P236 VanDerWaalsContact O-CD 3.27Å; T234-P236 WeakPolarHBondContact O-CD 3.06Å
237K97.9Very high96Very high127 Ų12762.4 Ų62.455%0.55231%0.313SS*.  trans-82.2155.2174.4-57.8174.4-171.2166.40110.4D239 D240K237-D239 VanDerWaalsContact CB-OD1 3.25Å; K237-D239 WeakPolarHBondContact CB-OD1 3.29Å; K237-D239 PolarHBondContact O-N 2.62Å; K237-D240 WeakPolarHBondContact CB-OD2 3.47Å; K237-D240 PolarHBondContact N-OD2 2.67Å; K237-D240 WeakPolarHBondContact O-CB 3.44Å; K237-D240 PolarHBondContact O-N 2.69Å; K237-D240 VanDerWaalsContact O-N 3.14Å
238P98.1Very high94.5Very high52 Ų5260.4 Ų60.434%0.33831%0.311SS..THydrogen-bonded Turntrans-59-30.9178.3-23.734.9000114.2R62 H261 Q262R62-P238 HydrophobicContact CB-CB 4.3Å; R62-P238 HydrophobicContact CB-CG 3.88Å; P238-H261 PolarHBondContact O-N 3.26Å; P238-Q262 HydrophobicContact CB-CB 3.9Å; P238-Q262 HydrophobicContact CB-CG 4.46Å; P238-Q262 VanDerWaalsContact O-CB 3.3Å; P238-Q262 WeakPolarHBondContact O-CB 3.45Å; P238-Q262 PolarHBondContact O-N 3.11Å
239D97.9Very high92.4Very high105 Ų10553 Ų5356%0.56128%0.283SS*.THydrogen-bonded Turntrans-95.12.5-179.958.7-23.6000113.8K237K237-D239 VanDerWaalsContact CB-OD1 3.25Å; K237-D239 WeakPolarHBondContact CB-OD1 3.29Å; K237-D239 PolarHBondContact O-N 2.62Å
240D97.6Very high90.1Very high59 Ų5951.8 Ų51.832%0.31629%0.289SS..SBendtrans-68.6142.7170.5-71-22.6000110K237 Y242 E260 H261K237-D240 WeakPolarHBondContact CB-OD2 3.47Å; K237-D240 PolarHBondContact N-OD2 2.67Å; K237-D240 WeakPolarHBondContact O-CB 3.44Å; K237-D240 PolarHBondContact O-N 2.69Å; K237-D240 VanDerWaalsContact O-N 3.14Å; D240-Y242 PolarHBondContact O-N 3.29Å; D240-E260 VanDerWaalsContact O-CA 3.3Å; D240-E260 WeakPolarHBondContact O-CA 3.4Å; D240-H261 PolarHBondContact O-CD2 3.26Å; D240-H261 VanDerWaalsContact O-CD2 3.31Å; D240-H261 PolarHBondContact O-N 2.73Å; D240-H261 VanDerWaalsContact O-N 3.1Å
241L97.8Very high87.8Confident47 Ų4750.9 Ų50.925%0.24629%0.293CS..EExtended strand (participates in β ladder)trans-65.6123.9176.5-173.569.1000109.7P147 I244 M258P147-L241 HydrophobicContact CB-CB 4.42Å; P147-L241 HydrophobicContact CB-CD2 3.93Å; P147-L241 HydrophobicContact CB-CG 3.97Å; P147-L241 HydrophobicContact CG-CB 4.11Å; P147-L241 HydrophobicContact CG-CD2 4.03Å; P147-L241 HydrophobicContact CG-CG 4.16Å; P147-L241 WeakPolarHBondContact CG-O 3.34Å; L241-I244 HydrophobicContact CD2-CD1 4.17Å; L241-I244 HydrophobicContact CD2-CG1 3.93Å; L241-M258 HydrophobicContact CD1-CB 3.79Å; L241-M258 HydrophobicContact CD1-CG 4.23Å
242Y98.1Very high85.8Confident0 Ų051.1 Ų51.10%031%0.308CS..EExtended strand (participates in β ladder)trans-99.3-41.2178.2165.6-123.3000111.9M64 Q138 A142 P147 I148 D240 I259 H261 I264M64-Y242 HydrophobicContact CB-CD2 4.45Å; M64-Y242 HydrophobicContact CB-CE2 4.25Å; M64-Y242 HydrophobicContact CG-CD1 3.95Å; M64-Y242 HydrophobicContact CG-CD2 4.19Å; M64-Y242 HydrophobicContact CG-CE1 3.74Å; M64-Y242 HydrophobicContact CG-CE2 4.02Å; M64-Y242 HydrophobicContact CG-CG 4.16Å; Q138-Y242 HydrophobicContact CG-CE2 4.44Å; Q138-Y242 WeakPolarHBondContact CG-OH 3.47Å; Q138-Y242 PolarHBondContact NE2-OH 3.08Å; A142-Y242 HydrophobicContact CB-CD2 3.96Å; A142-Y242 HydrophobicContact CB-CE2 3.68Å; P147-Y242 CarbonylContact C-O 3.54Å; P147-Y242 VanDerWaalsContact CA-O 3.32Å; P147-Y242 WeakPolarHBondContact CA-O 3.34Å; I148-Y242 HydrophobicContact CG1-CE2 4.5Å; I148-Y242 PolarHBondContact N-O 2.91Å; D240-Y242 PolarHBondContact O-N 3.29Å; Y242-I259 WeakPolarHBondContact CA-O 3.42Å; Y242-I259 WeakPolarHBondContact CB-O 3.23Å; Y242-I259 HydrophobicContact CD1-CG2 4.47Å; Y242-I259 PolarHBondContact N-O 2.77Å; Y242-H261 AromaticContact CD2-CE1 3.77Å; Y242-I264 HydrophobicContact CD1-CG2 4.08Å; Y242-I264 HydrophobicContact CE1-CD1 4.03Å; Y242-I264 HydrophobicContact CE1-CG2 4.33Å
243M98.2Very high84.7Confident0 Ų050.6 Ų50.60%030%0.299CS..EExtended strand (participates in β ladder)trans-150.7143.3-171.3176.7-172.8-66.300111.6I148 P150 C245 I259 Q298I148-M243 HydrophobicContact CD1-CE 3.52Å; I148-M243 HydrophobicContact CG1-CB 4.02Å; I148-M243 HydrophobicContact CG1-CE 4Å; I148-M243 HydrophobicContact CG1-CG 4.06Å; I148-M243 CarbonylContact O-C 3.46Å; I148-M243 VanDerWaalsContact O-CA 3.29Å; I148-M243 WeakPolarHBondContact O-CA 3.41Å; P150-M243 HydrophobicContact CG-CE 4.09Å; P150-M243 HydrophobicContact CG-CG 4.03Å; P150-M243 HydrophobicContact CG-SD 3.97Å; M243-C245 HydrophobicContact CG-CB 4.19Å; M243-C245 HydrophobicContact SD-CB 3.93Å; M243-I259 HydrophobicContact CB-CB 4.17Å; M243-I259 PolarHBondContact N-O 2.78Å; M243-I259 WeakPolarHBondContact O-CB 3.3Å; M243-I259 PolarHBondContact O-N 3.45Å; M243-I259 HydrophobicContact SD-CD1 4.11Å; M243-Q298 HydrophobicContact CE-CG 3.78Å; M243-Q298 HydrophobicContact SD-CG 4.35Å
244I97.8Very high84Confident0 Ų049 Ų490%029%0.294CS..EExtended strand (participates in β ladder)trans-107.699.8163.5-55.3170.5000107.2I148 V149 P150 T167 L241 F246 V257 Y492I148-I244 PolarHBondContact O-N 2.98Å; V149-I244 HydrophobicContact CG2-CB 4.28Å; V149-I244 HydrophobicContact CG2-CD1 4.34Å; P150-I244 WeakPolarHBondContact CD-O 3.37Å; T167-I244 HydrophobicContact CG2-CD1 4.42Å; L241-I244 HydrophobicContact CD2-CD1 4.17Å; L241-I244 HydrophobicContact CD2-CG1 3.93Å; I244-F246 HydrophobicContact CG2-CD2 4.37Å; I244-F246 HydrophobicContact CG2-CE2 3.8Å; I244-F246 HydrophobicContact CG2-CZ 4.15Å; I244-V257 CarbonylContact C-O 3.5Å; I244-V257 WeakPolarHBondContact CA-O 3.34Å; I244-Y492 HydrophobicContact CD1-CD1 4.05Å; I244-Y492 HydrophobicContact CD1-CD2 3.6Å; I244-Y492 HydrophobicContact CD1-CE1 4.18Å; I244-Y492 HydrophobicContact CD1-CE2 3.75Å; I244-Y492 HydrophobicContact CD1-CG 3.75Å; I244-Y492 HydrophobicContact CG1-CD2 4.35Å; I244-Y492 HydrophobicContact CG1-CG 4.44Å; I244-Y492 HydrophobicContact CG2-CG 4.33Å
245C95.8Very high83.8Confident0 Ų047.8 Ų47.80%028%0.283CS..EExtended strand (participates in β ladder)trans-93.4111.5-177-171.80000110.1M243 V257 I259 T432M243-C245 HydrophobicContact CG-CB 4.19Å; M243-C245 HydrophobicContact SD-CB 3.93Å; C245-V257 PolarHBondContact N-O 2.81Å; C245-V257 WeakPolarHBondContact O-CB 3.46Å; C245-V257 PolarHBondContact O-N 3.05Å; C245-I259 HydrophobicContact CB-CD1 3.67Å; C245-T432 HydrophobicContact CB-CG2 3.73Å
246F90.6Very high83.9Confident1 Ų141.4 Ų41.40%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-73.8138.4179.9-79.1-86.8000112.3V149 Y152 I163 L166 T167 I244 P254 K255V149-F246 HydrophobicContact CG1-CD2 3.98Å; V149-F246 HydrophobicContact CG1-CE2 3.64Å; Y152-F246 PolarHBondContact OH-O 2.97Å; I163-F246 HydrophobicContact CB-CE2 4.29Å; I163-F246 HydrophobicContact CB-CZ 4.25Å; I163-F246 HydrophobicContact CD1-CB 4.08Å; I163-F246 HydrophobicContact CD1-CD1 4.1Å; I163-F246 HydrophobicContact CD1-CD2 3.96Å; I163-F246 HydrophobicContact CD1-CE2 4.47Å; I163-F246 HydrophobicContact CD1-CG 3.75Å; I163-F246 HydrophobicContact CG1-CD1 3.71Å; I163-F246 HydrophobicContact CG1-CD2 3.93Å; I163-F246 HydrophobicContact CG1-CE1 3.73Å; I163-F246 HydrophobicContact CG1-CE2 3.97Å; I163-F246 HydrophobicContact CG1-CG 3.79Å; I163-F246 HydrophobicContact CG1-CZ 3.86Å; I163-F246 HydrophobicContact CG2-CD2 4.02Å; I163-F246 HydrophobicContact CG2-CE2 3.6Å; I163-F246 HydrophobicContact CG2-CZ 3.97Å; L166-F246 HydrophobicContact CD2-CE1 3.95Å; L166-F246 HydrophobicContact CD2-CZ 4.11Å; T167-F246 HydrophobicContact CG2-CE2 3.9Å; T167-F246 HydrophobicContact CG2-CZ 3.8Å; I244-F246 HydrophobicContact CG2-CD2 4.37Å; I244-F246 HydrophobicContact CG2-CE2 3.8Å; I244-F246 HydrophobicContact CG2-CZ 4.15Å; F246-P254 HydrophobicContact CB-CB 4.21Å; F246-P254 HydrophobicContact CD1-CB 3.79Å; F246-P254 HydrophobicContact CG-CB 4.42Å; F246-K255 CarbonylContact C-O 3.54Å; F246-K255 WeakPolarHBondContact CA-O 3.15Å
247T82.3Confident83.9Confident19 Ų1940.8 Ų40.812%0.11725%0.245CC..EExtended strand (participates in β ladder)trans-117.1151.6174.157.60000110G249 P254 K255 V257 T432T247-G249 PolarHBondContact O-N 3.07Å; T247-G249 VanDerWaalsContact O-N 3.09Å; T247-P254 CarbonylContact O-C 3.58Å; T247-P254 WeakPolarHBondContact O-CA 3.44Å; T247-P254 WeakPolarHBondContact O-CB 3.45Å; T247-K255 PolarHBondContact N-O 3.03Å; T247-K255 PolarHBondContact O-N 3.13Å; T247-K255 PolarHBondContact OG1-O 3.08Å; T247-V257 HydrophobicContact CG2-CG2 3.83Å; T247-T432 VanDerWaalsContact CG2-CB 3.45Å; T247-T432 HydrophobicContact CG2-CG2 3.86Å; T247-T432 WeakPolarHBondContact CG2-OG1 3.45Å
248S66.5Low83.9Confident60 Ų6037.2 Ų37.242%0.4223%0.231SC..  trans-65.5110.6169.8450000109.4S250S248-S250 PolarHBondContact O-N 2.97Å
249G52.7Low84Confident12 Ų1234.7 Ų34.712%0.12422%0.215CC..  trans-65.9130.9171.900000109.8T247 T251 G252T247-G249 PolarHBondContact O-N 3.07Å; T247-G249 VanDerWaalsContact O-N 3.09Å; G249-T251 PolarHBondContact O-N 2.88Å; G249-G252 PolarHBondContact O-N 3.45Å; G249-G252 VanDerWaalsContact O-N 3.15Å
250S48.5Very low84Confident80 Ų8031.7 Ų31.756%0.55920%0.197SC*.THydrogen-bonded Turntrans-57.5-18.9168.652.60000112.7S248S248-S250 PolarHBondContact O-N 2.97Å
251T47.4Very low84Confident103 Ų10329 Ų2963%0.63218%0.183SC*.THydrogen-bonded Turntrans-96.12.7-178.251.70000114.5G249G249-T251 PolarHBondContact O-N 2.88Å
252G55.3Low84Confident57 Ų5728.2 Ų28.259%0.58818%0.178SC*.SBendtrans120.4-61.1171.500000114.3G249G249-G252 PolarHBondContact O-N 3.45Å; G249-G252 VanDerWaalsContact O-N 3.15Å
253L73.6Confident84Confident88 Ų8828.3 Ų28.346%0.46118%0.178SC..SBendtrans-86.1142.8-177.5-66.5176.3000112.3H162H162-L253 HydrophobicContact CB-CD2 4.19Å
254P83.4Confident84Confident11 Ų1128.3 Ų28.37%0.07118%0.179CC..PPolyproline II helixtrans-63.5138.2176.5-21.431.5000113A159 H162 F246 T247A159-P254 HydrophobicContact CB-CG 3.69Å; H162-P254 PolarHBondContact CD2-O 3.28Å; H162-P254 PolarHBondContact NE2-O 2.88Å; F246-P254 HydrophobicContact CB-CB 4.21Å; F246-P254 HydrophobicContact CD1-CB 3.79Å; F246-P254 HydrophobicContact CG-CB 4.42Å; T247-P254 CarbonylContact O-C 3.58Å; T247-P254 WeakPolarHBondContact O-CA 3.44Å; T247-P254 WeakPolarHBondContact O-CB 3.45Å
255K90.2Very high84Confident34 Ų3428.3 Ų28.315%0.14818%0.179CC..EExtended strand (participates in β ladder)trans-103.8130.6175.9-62.2179.4-71.6167.20110.3F246 T247 V257 Y491 N497F246-K255 CarbonylContact C-O 3.54Å; F246-K255 WeakPolarHBondContact CA-O 3.15Å; T247-K255 PolarHBondContact N-O 3.03Å; T247-K255 PolarHBondContact O-N 3.13Å; T247-K255 PolarHBondContact OG1-O 3.08Å; K255-V257 PolarHBondContact O-N 3.49Å; K255-Y491 HydrophobicContact CB-CD1 3.64Å; K255-Y491 HydrophobicContact CB-CE1 3.82Å; K255-Y491 HydrophobicContact CB-CG 4.12Å; K255-Y491 HydrophobicContact CD-CD1 4.44Å; K255-Y491 HydrophobicContact CD-CD2 4.2Å; K255-Y491 HydrophobicContact CD-CE1 4.24Å; K255-Y491 HydrophobicContact CD-CE2 3.99Å; K255-Y491 HydrophobicContact CD-CG 4.41Å; K255-Y491 VanDerWaalsContact NZ-CZ 3.26Å; K255-Y491 PolarHBondContact NZ-OH 2.96Å; K255-N497 HydrophobicContact CD-CB 4.1Å
256G94.9Very high84.1Confident1 Ų130 Ų301%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-83.5105.2-179.600000112M258 Y491 Y492G256-M258 PolarHBondContact O-N 3.38Å; G256-Y491 CarbonylContact O-C 3.56Å; G256-Y491 VanDerWaalsContact O-CA 3.26Å; G256-Y491 WeakPolarHBondContact O-CA 3.32Å; G256-Y492 PolarHBondContact O-N 3.19Å
257V97.6Very high84.4Confident0 Ų030 Ų300%019%0.187CC..EExtended strand (participates in β ladder)trans-74.4123.5175.5179.80000109.4I244 C245 T247 K255 I259 T432 E433 T488 Y491I244-V257 CarbonylContact C-O 3.5Å; I244-V257 WeakPolarHBondContact CA-O 3.34Å; C245-V257 PolarHBondContact N-O 2.81Å; C245-V257 WeakPolarHBondContact O-CB 3.46Å; C245-V257 PolarHBondContact O-N 3.05Å; T247-V257 HydrophobicContact CG2-CG2 3.83Å; K255-V257 PolarHBondContact O-N 3.49Å; V257-I259 HydrophobicContact CG1-CG1 4.19Å; V257-T432 HydrophobicContact CB-CG2 3.8Å; V257-T432 HydrophobicContact CG1-CG2 4.06Å; V257-T432 HydrophobicContact CG2-CG2 3.78Å; V257-E433 HydrophobicContact CG1-CG 4.41Å; V257-E433 HydrophobicContact CG2-CG 3.88Å; V257-T488 HydrophobicContact CG1-CG2 4.05Å; V257-T488 WeakPolarHBondContact CG1-OG1 3.46Å; V257-Y491 HydrophobicContact CG2-CD1 3.92Å; V257-Y491 HydrophobicContact CG2-CE1 3.64Å
258M98.3Very high85.1Confident52 Ų5229 Ų2926%0.25618%0.182SC..EExtended strand (participates in β ladder)trans-77.8126.6175.1-65.5-176.3-65.600110.3L241 G256 T488 G490 Y492L241-M258 HydrophobicContact CD1-CB 3.79Å; L241-M258 HydrophobicContact CD1-CG 4.23Å; G256-M258 PolarHBondContact O-N 3.38Å; M258-T488 PolarHBondContact O-OG1 3.34Å; M258-G490 PolarHBondContact N-O 3.33Å; M258-G490 VanDerWaalsContact N-O 3.1Å; M258-Y492 HydrophobicContact CG-CD2 4.34Å; M258-Y492 HydrophobicContact SD-CD2 4.16Å
259I98.5Very high86.6Confident0 Ų026.9 Ų26.90%017%0.165CC..EExtended strand (participates in β ladder)trans-125.1113.6-178.9-55.2-176.6000108.8Y242 M243 C245 V257 I264 I295 T432 M435Y242-I259 WeakPolarHBondContact CA-O 3.42Å; Y242-I259 WeakPolarHBondContact CB-O 3.23Å; Y242-I259 HydrophobicContact CD1-CG2 4.47Å; Y242-I259 PolarHBondContact N-O 2.77Å; M243-I259 HydrophobicContact CB-CB 4.17Å; M243-I259 PolarHBondContact N-O 2.78Å; M243-I259 WeakPolarHBondContact O-CB 3.3Å; M243-I259 PolarHBondContact O-N 3.45Å; M243-I259 HydrophobicContact SD-CD1 4.11Å; C245-I259 HydrophobicContact CB-CD1 3.67Å; V257-I259 HydrophobicContact CG1-CG1 4.19Å; I259-I264 HydrophobicContact CG2-CB 4.4Å; I259-I295 HydrophobicContact CD1-CD1 3.71Å; I259-T432 HydrophobicContact CD1-CG2 4.44Å; I259-M435 HydrophobicContact CB-SD 4.29Å; I259-M435 HydrophobicContact CD1-CE 4.38Å; I259-M435 HydrophobicContact CD1-SD 3.88Å; I259-M435 HydrophobicContact CG1-CE 3.94Å; I259-M435 HydrophobicContact CG1-SD 3.87Å; I259-M435 HydrophobicContact CG2-CE 4.49Å; I259-M435 HydrophobicContact CG2-SD 3.64Å
260E98.5Very high88.6Confident41 Ų4126.3 Ų26.319%0.19216%0.159CC..EExtended strand (participates in β ladder)trans-79.1157.8171.1-62.4167.9-170.800110.8D240 Q262 Q263 K489D240-E260 VanDerWaalsContact O-CA 3.3Å; D240-E260 WeakPolarHBondContact O-CA 3.4Å; E260-Q262 VanDerWaalsContact C-N 3.32Å; E260-Q262 PolarHBondContact O-N 2.96Å; E260-Q263 HydrophobicContact CB-CG 4.17Å; E260-Q263 PolarHBondContact O-N 3.42Å; E260-K489 WeakPolarHBondContact OE1-CG 3.42Å
261H98.5Very high90.8Very high2 Ų223.1 Ų23.11%0.00914%0.136CC..Hα-helixtrans-53.9-44178.2-83-76.7000113.7T63 M64 A142 P238 D240 Y242 Q263 I264 V265T63-H261 HydrophobicContact CG2-CB 3.95Å; M64-H261 PolarHBondContact N-ND1 3.43Å; A142-H261 PolarHBondContact O-CE1 3.22Å; P238-H261 PolarHBondContact O-N 3.26Å; D240-H261 PolarHBondContact O-CD2 3.26Å; D240-H261 VanDerWaalsContact O-CD2 3.31Å; D240-H261 PolarHBondContact O-N 2.73Å; D240-H261 VanDerWaalsContact O-N 3.1Å; Y242-H261 AromaticContact CD2-CE1 3.77Å; H261-Q263 VanDerWaalsContact C-N 3.33Å; H261-Q263 PolarHBondContact O-N 2.92Å; H261-I264 VanDerWaalsContact O-CG2 3.23Å; H261-I264 WeakPolarHBondContact O-CG2 3.17Å; H261-V265 WeakPolarHBondContact O-CG2 3.39Å; H261-V265 PolarHBondContact O-N 2.87Å
262Q98.1Very high93.1Very high32 Ų3218.3 Ų18.315%0.1511%0.106CC..Hα-helixtrans-67.6-33.6-178.1-17261.656.700112.4R62 P238 E260 I264 V265 D266R62-Q262 VanDerWaalsContact CB-OE1 3.29Å; R62-Q262 PolarHBondContact O-OE1 3.38Å; P238-Q262 HydrophobicContact CB-CB 3.9Å; P238-Q262 HydrophobicContact CB-CG 4.46Å; P238-Q262 VanDerWaalsContact O-CB 3.3Å; P238-Q262 WeakPolarHBondContact O-CB 3.45Å; P238-Q262 PolarHBondContact O-N 3.11Å; E260-Q262 VanDerWaalsContact C-N 3.32Å; E260-Q262 PolarHBondContact O-N 2.96Å; Q262-I264 PolarHBondContact O-N 3.44Å; Q262-V265 PolarHBondContact O-N 3.42Å; Q262-D266 PolarHBondContact NE2-OD1 3.49Å; Q262-D266 WeakPolarHBondContact O-CB 3.41Å; Q262-D266 PolarHBondContact O-N 2.94Å
263Q98.3Very high95Very high1 Ų115.7 Ų15.71%0.0058%0.078CC..Hα-helixtrans-64.7-42.3-173.2-69.7171.2-36.900111.7E260 H261 A267 M435 C487E260-Q263 HydrophobicContact CB-CG 4.17Å; E260-Q263 PolarHBondContact O-N 3.42Å; H261-Q263 VanDerWaalsContact C-N 3.33Å; H261-Q263 PolarHBondContact O-N 2.92Å; Q263-A267 PolarHBondContact O-N 2.9Å; Q263-A267 VanDerWaalsContact O-N 3.14Å; Q263-M435 HydrophobicContact CB-CE 4.4Å; Q263-M435 HydrophobicContact CB-CG 3.96Å; Q263-M435 HydrophobicContact CB-SD 4.04Å; Q263-C487 PolarHBondContact NE2-O 3.01Å
264I97.7Very high96Very high1 Ų111.5 Ų11.51%0.0056%0.056CC..Hα-helixtrans-70.8-38.4175.8-171.6166.9000111.9M64 Y242 I259 H261 Q262 A267 V268 Q298 V299M64-I264 HydrophobicContact CG-CG2 3.71Å; M64-I264 HydrophobicContact SD-CB 4.48Å; M64-I264 HydrophobicContact SD-CD1 4.17Å; M64-I264 HydrophobicContact SD-CG1 4.27Å; M64-I264 HydrophobicContact SD-CG2 3.45Å; M64-I264 WeakPolarHBondContact SD-CG2 3.44Å; Y242-I264 HydrophobicContact CD1-CG2 4.08Å; Y242-I264 HydrophobicContact CE1-CD1 4.03Å; Y242-I264 HydrophobicContact CE1-CG2 4.33Å; I259-I264 HydrophobicContact CG2-CB 4.4Å; H261-I264 VanDerWaalsContact O-CG2 3.23Å; H261-I264 WeakPolarHBondContact O-CG2 3.17Å; Q262-I264 PolarHBondContact O-N 3.44Å; I264-A267 WeakPolarHBondContact O-CB 3.41Å; I264-A267 PolarHBondContact O-N 3.27Å; I264-A267 VanDerWaalsContact O-N 3.14Å; I264-V268 WeakPolarHBondContact O-CG2 3.42Å; I264-V268 PolarHBondContact O-N 3.42Å; I264-Q298 HydrophobicContact CD1-CB 4.01Å; I264-V299 HydrophobicContact CG1-CG2 4.17Å
265V98.2Very high96.4Very high0 Ų011.2 Ų11.20%05%0.054CC..Hα-helixtrans-62.4-44.8175.6170.90000111.1V61 L67 H261 Q262 A267 V268 F269V61-V265 HydrophobicContact CG1-CG1 3.96Å; V61-V265 HydrophobicContact CG1-CG2 4.39Å; L67-V265 HydrophobicContact CD1-CG2 4.27Å; H261-V265 WeakPolarHBondContact O-CG2 3.39Å; H261-V265 PolarHBondContact O-N 2.87Å; Q262-V265 PolarHBondContact O-N 3.42Å; V265-A267 PolarHBondContact O-N 3.16Å; V265-V268 WeakPolarHBondContact O-CB 3.42Å; V265-V268 PolarHBondContact O-N 2.97Å; V265-F269 HydrophobicContact CG1-CD2 4.41Å; V265-F269 HydrophobicContact CG1-CE1 4.08Å; V265-F269 HydrophobicContact CG1-CE2 3.94Å; V265-F269 HydrophobicContact CG1-CZ 3.77Å; V265-F269 WeakPolarHBondContact O-CG 3.4Å; V265-F269 PolarHBondContact O-N 3.46Å
266D97.2Very high96.5Very high35 Ų3510 Ų1019%0.1875%0.049CC..Hα-helixtrans-61.5-33.2174.9-77-9.4000111.7Q262 G270 R486Q262-D266 PolarHBondContact NE2-OD1 3.49Å; Q262-D266 WeakPolarHBondContact O-CB 3.41Å; Q262-D266 PolarHBondContact O-N 2.94Å; D266-G270 PolarHBondContact O-N 3.13Å; D266-R486 HydrophobicContact CB-CB 3.68Å
267A97.3Very high96.3Very high0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-68.9-42.1175.500000112.8Q263 I264 V265 F269 G270 I271 V299 M435Q263-A267 PolarHBondContact O-N 2.9Å; Q263-A267 VanDerWaalsContact O-N 3.14Å; I264-A267 WeakPolarHBondContact O-CB 3.41Å; I264-A267 PolarHBondContact O-N 3.27Å; I264-A267 VanDerWaalsContact O-N 3.14Å; V265-A267 PolarHBondContact O-N 3.16Å; A267-F269 VanDerWaalsContact C-N 3.34Å; A267-G270 PolarHBondContact O-N 3.41Å; A267-I271 PolarHBondContact O-N 2.92Å; A267-I271 VanDerWaalsContact O-N 3.08Å; A267-V299 HydrophobicContact CB-CG1 4.19Å; A267-V299 HydrophobicContact CB-CG2 4.16Å; A267-M435 HydrophobicContact CB-CB 3.51Å; A267-M435 HydrophobicContact CB-CG 4.45Å
268V97.4Very high96Very high0 Ų013 Ų130%06%0.063CC..Hα-helixtrans-58.4-47.2172.5168.50000110.3L67 I264 V265 G270 I271 I272 V299 S302 V303 L306L67-V268 HydrophobicContact CD1-CG1 4.41Å; L67-V268 HydrophobicContact CD1-CG2 4.28Å; I264-V268 WeakPolarHBondContact O-CG2 3.42Å; I264-V268 PolarHBondContact O-N 3.42Å; V265-V268 WeakPolarHBondContact O-CB 3.42Å; V265-V268 PolarHBondContact O-N 2.97Å; V268-G270 VanDerWaalsContact C-N 3.32Å; V268-G270 PolarHBondContact O-N 3.36Å; V268-I271 PolarHBondContact O-N 3.18Å; V268-I272 HydrophobicContact CG1-CD1 3.83Å; V268-I272 WeakPolarHBondContact O-CG1 3.43Å; V268-I272 PolarHBondContact O-N 3.25Å; V268-V299 HydrophobicContact CG2-CG1 4.14Å; V268-S302 VanDerWaalsContact CG2-CB 3.45Å; V268-V303 HydrophobicContact CB-CG2 4.29Å; V268-V303 HydrophobicContact CG1-CB 4.48Å; V268-V303 HydrophobicContact CG1-CG2 3.84Å; V268-V303 HydrophobicContact CG2-CG2 4.27Å; V268-L306 HydrophobicContact CG1-CD2 3.6Å
269F96.4Very high95.6Very high14 Ų1410.7 Ų10.76%0.0615%0.052CC..Hα-helixtrans-62-40.8175.9-70.8-2.9000112.3T55 F58 V61 V265 A267 I271 I272 E273 L306T55-F269 HydrophobicContact CG2-CB 3.75Å; T55-F269 HydrophobicContact CG2-CD1 3.76Å; T55-F269 HydrophobicContact CG2-CG 3.79Å; F58-F269 HydrophobicContact CB-CE1 3.76Å; F58-F269 HydrophobicContact CB-CZ 3.85Å; F58-F269 HydrophobicContact CD2-CE1 4.36Å; F58-F269 HydrophobicContact CG-CE1 4.48Å; F58-F269 WeakPolarHBondContact O-CZ 3.25Å; V61-F269 HydrophobicContact CB-CZ 4.11Å; V61-F269 HydrophobicContact CG1-CZ 4.47Å; V265-F269 HydrophobicContact CG1-CD2 4.41Å; V265-F269 HydrophobicContact CG1-CE1 4.08Å; V265-F269 HydrophobicContact CG1-CE2 3.94Å; V265-F269 HydrophobicContact CG1-CZ 3.77Å; V265-F269 WeakPolarHBondContact O-CG 3.4Å; V265-F269 PolarHBondContact O-N 3.46Å; A267-F269 VanDerWaalsContact C-N 3.34Å; F269-I271 VanDerWaalsContact C-N 3.31Å; F269-I271 PolarHBondContact O-N 2.66Å; F269-I272 PolarHBondContact O-N 2.66Å; F269-E273 WeakPolarHBondContact O-CG 3.36Å; F269-E273 PolarHBondContact O-N 3.2Å; F269-L306 HydrophobicContact CD1-CD2 4.2Å; F269-L306 HydrophobicContact CE1-CD2 3.78Å
270G95.5Very high95.3Very high0 Ų011.1 Ų11.10%06%0.055CC..Hα-helixtrans-53.4-46173.100000112.8D266 A267 V268 N274D266-G270 PolarHBondContact O-N 3.13Å; A267-G270 PolarHBondContact O-N 3.41Å; V268-G270 VanDerWaalsContact C-N 3.32Å; V268-G270 PolarHBondContact O-N 3.36Å; G270-N274 VanDerWaalsContact O-CB 3.32Å; G270-N274 WeakPolarHBondContact O-CB 3.41Å; G270-N274 PolarHBondContact O-N 2.79Å; G270-N274 VanDerWaalsContact O-N 3.12Å; G270-N274 PolarHBondContact O-OD1 2.84Å
271I94.9Very high95.1Very high14 Ų1410.1 Ų10.17%0.0725%0.051CC..Hα-helixtrans-67.7-46.3177.5-66.6175.6000111.4A267 V268 F269 E273 N274 T275 V299 V303 V437A267-I271 PolarHBondContact O-N 2.92Å; A267-I271 VanDerWaalsContact O-N 3.08Å; V268-I271 PolarHBondContact O-N 3.18Å; F269-I271 VanDerWaalsContact C-N 3.31Å; F269-I271 PolarHBondContact O-N 2.66Å; I271-E273 PolarHBondContact O-N 2.74Å; I271-N274 PolarHBondContact O-N 2.72Å; I271-T275 HydrophobicContact CG2-CG2 4.19Å; I271-T275 WeakPolarHBondContact O-CB 3.39Å; I271-T275 WeakPolarHBondContact O-CG2 3.39Å; I271-T275 PolarHBondContact O-N 3.17Å; I271-T275 PolarHBondContact O-OG1 3.1Å; I271-V299 HydrophobicContact CD1-CG1 3.39Å; I271-V299 HydrophobicContact CG1-CG1 4.46Å; I271-V303 HydrophobicContact CB-CG2 4.23Å; I271-V303 HydrophobicContact CD1-CG2 4.28Å; I271-V303 HydrophobicContact CG2-CG2 4.16Å; I271-V437 HydrophobicContact CD1-CG2 3.89Å; I271-V437 HydrophobicContact CG1-CG2 3.96Å
272I95.2Very high94.9Very high2 Ų216.5 Ų16.51%0.018%0.079CC..Hα-helixtrans-61.8-44.9-176.9-68.5170.5000110.8F54 T55 F58 V268 F269 E276 E277 V303 L306F54-I272 HydrophobicContact CB-CG2 3.93Å; T55-I272 HydrophobicContact CG2-CB 3.95Å; T55-I272 HydrophobicContact CG2-CG2 3.83Å; F58-I272 HydrophobicContact CE2-CD1 4.15Å; V268-I272 HydrophobicContact CG1-CD1 3.83Å; V268-I272 WeakPolarHBondContact O-CG1 3.43Å; V268-I272 PolarHBondContact O-N 3.25Å; F269-I272 PolarHBondContact O-N 2.66Å; I272-E276 WeakPolarHBondContact O-CA 3.44Å; I272-E276 PolarHBondContact O-N 3.07Å; I272-E277 PolarHBondContact O-N 3.48Å; I272-E277 VanDerWaalsContact O-N 3.07Å; I272-V303 HydrophobicContact CD1-CG1 4.42Å; I272-V303 HydrophobicContact CG1-CG1 4.06Å; I272-L306 HydrophobicContact CD1-CD2 3.79Å
273E95.1Very high94.8Very high1 Ų118.3 Ų18.31%0.0059%0.089CC..Hα-helixtrans-66.1-48.1177.7-66.6-66.5174.200111.8F50 R53 F54 T55 F269 I271 T275 E276 Y456F50-E273 WeakPolarHBondContact CD1-O 3.35Å; R53-E273 PolarHBondContact N-OE1 3.2Å; R53-E273 PolarHBondContact N-OE2 3.4Å; F54-E273 VanDerWaalsContact CD2-OE2 3.28Å; F54-E273 WeakPolarHBondContact CD2-OE2 3.4Å; F54-E273 PolarHBondContact N-OE1 2.75Å; F54-E273 VanDerWaalsContact N-OE1 3.07Å; F54-E273 PolarHBondContact N-OE2 2.88Å; F54-E273 VanDerWaalsContact N-OE2 3.09Å; T55-E273 VanDerWaalsContact CB-OE1 3.31Å; T55-E273 WeakPolarHBondContact CB-OE1 3.34Å; T55-E273 HydrophobicContact CG2-CG 3.75Å; T55-E273 WeakPolarHBondContact CG2-OE1 3.37Å; T55-E273 PolarHBondContact N-OE1 2.94Å; T55-E273 PolarHBondContact OG1-OE1 3.42Å; F269-E273 WeakPolarHBondContact O-CG 3.36Å; F269-E273 PolarHBondContact O-N 3.2Å; I271-E273 PolarHBondContact O-N 2.74Å; E273-T275 VanDerWaalsContact C-N 3.29Å; E273-T275 PolarHBondContact O-N 3.27Å; E273-E276 PolarHBondContact O-N 2.83Å; E273-E276 VanDerWaalsContact O-N 3.09Å; E273-Y456 HydrophobicContact CB-CG 4.18Å; E273-Y456 HydrophobicContact CG-CD1 4.05Å; E273-Y456 HydrophobicContact CG-CG 4.07Å
274N94.5Very high94.7Very high0 Ų018.3 Ų18.30%09%0.089CC..Hα-helixtrans-66.3-30-178.8-81.271.2000113.6G270 I271 V440 L442 V454 A455 Y456G270-N274 VanDerWaalsContact O-CB 3.32Å; G270-N274 WeakPolarHBondContact O-CB 3.41Å; G270-N274 PolarHBondContact O-N 2.79Å; G270-N274 VanDerWaalsContact O-N 3.12Å; G270-N274 PolarHBondContact O-OD1 2.84Å; I271-N274 PolarHBondContact O-N 2.72Å; N274-V440 HydrophobicContact CB-CB 3.95Å; N274-V440 HydrophobicContact CB-CG1 4.25Å; N274-V440 HydrophobicContact CB-CG2 4.25Å; N274-L442 WeakPolarHBondContact O-CD2 3.43Å; N274-V454 PolarHBondContact ND2-O 3.25Å; N274-V454 VanDerWaalsContact ND2-O 3.17Å; N274-A455 VanDerWaalsContact OD1-CA 3.31Å; N274-A455 WeakPolarHBondContact OD1-CA 3.31Å; N274-Y456 PolarHBondContact OD1-N 2.73Å
275T92.9Very high94.8Very high5 Ų518.3 Ų18.33%0.0319%0.089CC..Hα-helixtrans-91.9-2.3175.863.30000112.8I271 E273 E277 K278 C279 V440I271-T275 HydrophobicContact CG2-CG2 4.19Å; I271-T275 WeakPolarHBondContact O-CB 3.39Å; I271-T275 WeakPolarHBondContact O-CG2 3.39Å; I271-T275 PolarHBondContact O-N 3.17Å; I271-T275 PolarHBondContact O-OG1 3.1Å; E273-T275 VanDerWaalsContact C-N 3.29Å; E273-T275 PolarHBondContact O-N 3.27Å; T275-E277 PolarHBondContact O-N 3.24Å; T275-K278 VanDerWaalsContact O-CB 3.25Å; T275-K278 WeakPolarHBondContact O-CB 3.44Å; T275-K278 PolarHBondContact O-N 3.44Å; T275-C279 HydrophobicContact CG2-CB 4.2Å; T275-V440 HydrophobicContact CG2-CG1 4.14Å
276E92.4Very high94.8Very high10 Ų1018.3 Ų18.35%0.0479%0.089CC..THydrogen-bonded Turntrans53.736.8179.7-57.5172.374.200112.6S29 F50 F54 I272 E273 K278S29-E276 VanDerWaalsContact CA-OE2 3.28Å; S29-E276 WeakPolarHBondContact CA-OE2 3.08Å; S29-E276 WeakPolarHBondContact CB-OE2 3.32Å; S29-E276 PolarHBondContact OG-OE2 2.74Å; F50-E276 HydrophobicContact CD1-CG 4.49Å; F50-E276 HydrophobicContact CE1-CG 3.7Å; F54-E276 HydrophobicContact CD2-CB 4.25Å; F54-E276 HydrophobicContact CD2-CG 4.49Å; F54-E276 HydrophobicContact CE1-CB 4.21Å; F54-E276 HydrophobicContact CE2-CB 3.58Å; F54-E276 HydrophobicContact CE2-CG 3.67Å; F54-E276 HydrophobicContact CZ-CB 3.55Å; F54-E276 HydrophobicContact CZ-CG 4Å; I272-E276 WeakPolarHBondContact O-CA 3.44Å; I272-E276 PolarHBondContact O-N 3.07Å; E273-E276 PolarHBondContact O-N 2.83Å; E273-E276 VanDerWaalsContact O-N 3.09Å; E276-K278 HydrophobicContact CB-CD 4.09Å; E276-K278 HydrophobicContact CB-CG 4.35Å; E276-K278 VanDerWaalsContact CD-NZ 3.26Å; E276-K278 PolarHBondContact O-N 3.22Å; E276-K278 IonicContact OE1-NZ 2.82Å; E276-K278 PolarHBondContact OE1-NZ 2.9Å; E276-K278 IonicContact OE2-NZ 2.7Å; E276-K278 PolarHBondContact OE2-NZ 2.93Å; E276-K278 VanDerWaalsContact OE2-NZ 3.14Å
277E90Very high94.8Very high59 Ų5916.7 Ų16.728%0.2768%0.08SC..THydrogen-bonded Turntrans58.713.6-173.9-158179.5156.200114.1F54 K57 I272 T275F54-E277 HydrophobicContact CD1-CB 4.09Å; K57-E277 WeakPolarHBondContact CE-OE2 3.45Å; K57-E277 IonicContact NZ-OE1 2.69Å; K57-E277 PolarHBondContact NZ-OE1 2.85Å; K57-E277 IonicContact NZ-OE2 3.88Å; K57-E277 PolarHBondContact NZ-OE2 2.95Å; I272-E277 PolarHBondContact O-N 3.48Å; I272-E277 VanDerWaalsContact O-N 3.07Å; T275-E277 PolarHBondContact O-N 3.24Å
278K90.9Very high94.7Very high4 Ų416.7 Ų16.72%0.0178%0.08CC..  trans-83.7-20.7-176.8-64.1163.1-171167.60112.9Y15 P26 Y27 T275 E276 V443Y15-K278 WeakPolarHBondContact CE2-O 3.39Å; Y15-K278 VanDerWaalsContact CZ-O 3.26Å; Y15-K278 VanDerWaalsContact OH-C 3.28Å; Y15-K278 VanDerWaalsContact OH-CA 3.24Å; Y15-K278 WeakPolarHBondContact OH-CA 3.33Å; Y15-K278 PolarHBondContact OH-O 3.16Å; P26-K278 WeakPolarHBondContact O-CE 3.4Å; P26-K278 PolarHBondContact O-NZ 2.75Å; Y27-K278 PolarHBondContact O-NZ 2.82Å; T275-K278 VanDerWaalsContact O-CB 3.25Å; T275-K278 WeakPolarHBondContact O-CB 3.44Å; T275-K278 PolarHBondContact O-N 3.44Å; E276-K278 HydrophobicContact CB-CD 4.09Å; E276-K278 HydrophobicContact CB-CG 4.35Å; E276-K278 VanDerWaalsContact CD-NZ 3.26Å; E276-K278 PolarHBondContact O-N 3.22Å; E276-K278 IonicContact OE1-NZ 2.82Å; E276-K278 PolarHBondContact OE1-NZ 2.9Å; E276-K278 IonicContact OE2-NZ 2.7Å; E276-K278 PolarHBondContact OE2-NZ 2.93Å; E276-K278 VanDerWaalsContact OE2-NZ 3.14Å; K278-V443 HydrophobicContact CB-CG2 4.14Å; K278-V443 HydrophobicContact CD-CB 4.19Å; K278-V443 HydrophobicContact CD-CG1 4.21Å; K278-V443 HydrophobicContact CD-CG2 3.92Å
279C90.2Very high94.5Very high3 Ų317.9 Ų17.92%0.029%0.085CC..SBendtrans-82.1-35179.6-75.70000113.5T275T275-C279 HydrophobicContact CG2-CB 4.2Å
280C93.2Very high94.2Very high9 Ų917.8 Ų17.86%0.0619%0.085CC..  trans-146.1140.2-174.7-173.90000109.9V303C280-V303 HydrophobicContact CB-CG1 4Å
281N93.1Very high93.9Very high20 Ų2020.6 Ų20.611%0.10710%0.104CC..  trans-150.6177.1172.970.718000109.9H19 L283 S284 A309H19-N281 PolarHBondContact ND1-OD1 2.69Å; H19-N281 VanDerWaalsContact ND1-OD1 3.1Å; H19-N281 PolarHBondContact O-ND2 2.93Å; N281-L283 PolarHBondContact O-N 3.22Å; N281-L283 PolarHBondContact OD1-N 3.3Å; N281-S284 PolarHBondContact N-OG 3.31Å; N281-S284 WeakPolarHBondContact O-CB 3.29Å; N281-S284 PolarHBondContact O-N 2.76Å; N281-S284 PolarHBondContact O-OG 3.14Å; N281-S284 PolarHBondContact OD1-OG 3.14Å; N281-A309 WeakPolarHBondContact O-CB 3.42Å
282K94.8Very high93.8Very high137 Ų13720 Ų2060%0.59610%0.1SC*.THydrogen-bonded Turntrans-52.5-21.5-178.972.9-179.1-178.7-178.30117.5S284 E307K282-S284 VanDerWaalsContact C-N 3.29Å; K282-E307 WeakPolarHBondContact CA-O 3.37Å; K282-E307 VanDerWaalsContact CB-O 3.27Å; K282-E307 WeakPolarHBondContact CB-O 3.37Å; K282-E307 PolarHBondContact N-O 3.43Å
283L95.7Very high93.5Very high69 Ų6920 Ų2036%0.36110%0.101SC..THydrogen-bonded Turntrans-88.3-1177.9-61.2-178.9000112.8K20 N281K20-L283 HydrophobicContact CB-CD1 4.16Å; K20-L283 HydrophobicContact CD-CD1 4.03Å; K20-L283 HydrophobicContact CG-CD1 4.12Å; N281-L283 PolarHBondContact O-N 3.22Å; N281-L283 PolarHBondContact OD1-N 3.3Å
284S97.2Very high93.2Very high1 Ų122.8 Ų22.81%0.00711%0.114CC..  trans-73.3154.2-173.7-51.10000111.8H19 N281 K282 K310 T331H19-S284 PolarHBondContact CE1-OG 3.35Å; N281-S284 PolarHBondContact N-OG 3.31Å; N281-S284 WeakPolarHBondContact O-CB 3.29Å; N281-S284 PolarHBondContact O-N 2.76Å; N281-S284 PolarHBondContact O-OG 3.14Å; N281-S284 PolarHBondContact OD1-OG 3.14Å; K282-S284 VanDerWaalsContact C-N 3.29Å; S284-K310 PolarHBondContact O-N 2.94Å; S284-T331 WeakPolarHBondContact CA-OG1 3.21Å; S284-T331 WeakPolarHBondContact CB-OG1 3.32Å
285T98.2Very high93.2Very high2 Ų223.3 Ų23.31%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-133.3117.4171.9-58.20000107.4K310 L328 P330 T331 V332T285-K310 WeakPolarHBondContact CA-O 3.34Å; T285-K310 HydrophobicContact CG2-CG 4.16Å; T285-K310 WeakPolarHBondContact OG1-CE 3.41Å; T285-L328 HydrophobicContact CG2-CD1 3.64Å; T285-L328 HydrophobicContact CG2-CD2 4.12Å; T285-L328 HydrophobicContact CG2-CG 3.66Å; T285-P330 CarbonylContact O-C 3.55Å; T285-P330 VanDerWaalsContact O-CA 3.29Å; T285-P330 WeakPolarHBondContact O-CA 3.33Å; T285-T331 PolarHBondContact N-OG1 3.07Å; T285-T331 PolarHBondContact O-N 2.95Å; T285-V332 PolarHBondContact O-N 3.2Å
286H98Very high93.1Very high0 Ų024.8 Ų24.80%012%0.123CC..EExtended strand (participates in β ladder)trans-101.5142177.717553.6000109.9E297 V304 K310 I311 G312 V332H286-E297 IonicContact CD2-OE1 2.62Å; H286-E297 IonicContact CE1-OE2 3.65Å; H286-E297 IonicContact NE2-OE1 2.79Å; H286-E297 PolarHBondContact NE2-OE1 2.91Å; H286-E297 IonicContact NE2-OE2 3.79Å; H286-E297 PolarHBondContact NE2-OE2 3.17Å; H286-V304 HydrophobicContact CB-CB 4.47Å; H286-V304 HydrophobicContact CB-CG1 4.1Å; H286-V304 HydrophobicContact CB-CG2 3.62Å; H286-K310 PolarHBondContact N-O 2.99Å; H286-I311 WeakPolarHBondContact O-CA 3.48Å; H286-G312 PolarHBondContact O-N 2.63Å; H286-V332 HydrophobicContact CB-CG1 4.12Å
287L97.5Very high93.3Very high0 Ų024.3 Ų24.30%012%0.121CC..EExtended strand (participates in β ladder)trans-101.5108.1170.7-179.159.8000108.7Y289 G312 L314 L321 D324 C325 L328 P330L287-Y289 PolarHBondContact O-N 2.86Å; L287-G312 CarbonylContact C-O 3.48Å; L287-G312 WeakPolarHBondContact CA-O 3.24Å; L287-L314 HydrophobicContact CD1-CD2 4.41Å; L287-L314 HydrophobicContact CD2-CD2 4.45Å; L287-L321 HydrophobicContact CD2-CD1 3.53Å; L287-D324 HydrophobicContact CD1-CB 4.32Å; L287-D324 HydrophobicContact CD2-CB 4.32Å; L287-C325 WeakPolarHBondContact CD2-SG 3.21Å; L287-L328 HydrophobicContact CB-CD2 3.77Å; L287-L328 HydrophobicContact CD1-CD2 3.55Å; L287-L328 HydrophobicContact CG-CD2 4.18Å; L287-P330 HydrophobicContact CB-CB 4.42Å
288S96.8Very high93.6Very high1 Ų121.5 Ų21.51%0.00711%0.108CC..EExtended strand (participates in β ladder)trans-79.399.8175.1-1720000109.6N130 E297 I311 G312N130-S288 PolarHBondContact ND2-OG 3.41Å; S288-E297 WeakPolarHBondContact CA-OE1 3.36Å; S288-E297 WeakPolarHBondContact CB-OE1 3.37Å; S288-E297 PolarHBondContact OG-OE1 3.22Å; S288-I311 VanDerWaalsContact CB-CG2 3.49Å; S288-G312 PolarHBondContact N-O 3.19Å
289Y91.7Very high93.9Very high24 Ų2421.4 Ų21.49%0.09411%0.108CC..  trans-128.6-18.4175.485.2-90.8000113.1L287 V318 L321 L333 T334 T335 V339L287-Y289 PolarHBondContact O-N 2.86Å; Y289-V318 HydrophobicContact CD2-CG2 4.21Å; Y289-V318 HydrophobicContact CE2-CG2 4.42Å; Y289-L321 HydrophobicContact CD1-CD1 3.88Å; Y289-L321 HydrophobicContact CD2-CD1 4.24Å; Y289-L321 HydrophobicContact CE1-CD1 4.31Å; Y289-L321 HydrophobicContact CE2-CD2 4.3Å; Y289-L321 HydrophobicContact CG-CD1 3.83Å; Y289-L333 HydrophobicContact CD1-CD1 4.46Å; Y289-L333 HydrophobicContact CE1-CD1 3.96Å; Y289-T334 WeakPolarHBondContact CE1-O 3.42Å; Y289-T335 VanDerWaalsContact OH-CA 3.25Å; Y289-T335 WeakPolarHBondContact OH-CA 3.09Å; Y289-T335 VanDerWaalsContact OH-CB 3.29Å; Y289-T335 WeakPolarHBondContact OH-CB 3.3Å; Y289-T335 PolarHBondContact OH-OG1 3.13Å; Y289-V339 HydrophobicContact CE2-CG2 4.39Å
290L90.7Very high94.2Very high13 Ų1321.8 Ų21.87%0.06811%0.11CC..SBendtrans-76.3138.1172.2-63.7172.7000108.6N130 F292 M296 E297 T334 V336N130-L290 PolarHBondContact ND2-O 2.95Å; L290-F292 PolarHBondContact O-N 3.43Å; L290-M296 HydrophobicContact CD1-CE 3.28Å; L290-E297 HydrophobicContact CB-CB 4.11Å; L290-E297 WeakPolarHBondContact O-CB 3.27Å; L290-E297 WeakPolarHBondContact O-CG 2.94Å; L290-T334 HydrophobicContact CD1-CG2 3.63Å; L290-V336 HydrophobicContact CD2-CG1 3.93Å
291P89.1Confident94.4Very high59 Ų5921.6 Ų21.638%0.38311%0.108SC..  trans-61.4134.4-172.3-20.829.5000112.7N130 A293 H294N130-P291 WeakPolarHBondContact OD1-CA 3.09Å; P291-A293 PolarHBondContact O-N 3.22Å; P291-A293 VanDerWaalsContact O-N 3.16Å; P291-H294 WeakPolarHBondContact O-CB 3.41Å; P291-H294 PolarHBondContact O-N 3.19Å
292F92.6Very high94.7Very high0 Ų020.8 Ų20.80%010%0.104CC..THydrogen-bonded Turntrans-60.3-21.6171.9-84.6-51.7000112.7N130 W134 F135 L290 H294 E297 Q298 F313N130-F292 HydrophobicContact CB-CD2 3.75Å; N130-F292 HydrophobicContact CB-CE2 3.89Å; N130-F292 PolarHBondContact OD1-N 2.85Å; W134-F292 HydrophobicContact CB-CD2 4.33Å; W134-F292 AromaticContact CD1-CD2 3.34Å; W134-F292 AromaticContact CD1-CG 3.82Å; W134-F292 HydrophobicContact CD2-CB 4.43Å; W134-F292 HydrophobicContact CD2-CD2 4.34Å; W134-F292 AromaticContact CG-CD2 3.76Å; W134-F292 HydrophobicContact CG-CD2 3.76Å; W134-F292 HydrophobicContact CG-CE2 4.41Å; W134-F292 HydrophobicContact CZ2-CB 4.15Å; W134-F292 AromaticContact NE1-CD2 3.79Å; W134-F292 AromaticContact NE1-CG 3.81Å; F135-F292 HydrophobicContact CD2-CZ 4.18Å; L290-F292 PolarHBondContact O-N 3.43Å; F292-H294 PolarHBondContact O-N 2.78Å; F292-H294 VanDerWaalsContact O-N 3.16Å; F292-E297 HydrophobicContact CD1-CB 4.33Å; F292-E297 HydrophobicContact CD1-CG 3.55Å; F292-E297 HydrophobicContact CE1-CG 3.71Å; F292-E297 HydrophobicContact CG-CG 4.28Å; F292-Q298 VanDerWaalsContact O-CG 3.25Å; F292-Q298 WeakPolarHBondContact O-CG 3.41Å; F292-Q298 PolarHBondContact O-NE2 2.98Å; F292-F313 AromaticContact CE2-CE1 3.52Å; F292-F313 HydrophobicContact CE2-CE1 3.52Å; F292-F313 HydrophobicContact CE2-CZ 4.12Å; F292-F313 AromaticContact CZ-CE1 3.79Å; F292-F313 HydrophobicContact CZ-CE1 3.79Å; F292-F313 HydrophobicContact CZ-CZ 4.18Å
293A89.7Confident94.8Very high3 Ų314.7 Ų14.73%0.0258%0.079CC..THydrogen-bonded Turntrans-66.4-9.4171.500000113.9P150 Y152 P291P150-A293 HydrophobicContact CB-CB 3.69Å; Y152-A293 HydrophobicContact CD1-CB 3.38Å; Y152-A293 HydrophobicContact CE1-CB 3.37Å; Y152-A293 VanDerWaalsContact CE1-O 3.28Å; Y152-A293 WeakPolarHBondContact CE1-O 3.33Å; Y152-A293 HydrophobicContact CG-CB 3.98Å; Y152-A293 VanDerWaalsContact CZ-O 3.31Å; Y152-A293 PolarHBondContact OH-O 2.94Å; P291-A293 PolarHBondContact O-N 3.22Å; P291-A293 VanDerWaalsContact O-N 3.16Å
294H87.3Confident94.9Very high59 Ų5911.6 Ų11.627%0.2736%0.063SC..SBendtrans-100.5136.8170.7-69.1-71.3000111.9Y152 P291 F292 M296 E297 Q298Y152-H294 AromaticContact CD1-CE1 4Å; Y152-H294 AromaticContact CD1-NE2 3.68Å; Y152-H294 AromaticContact CE1-CD2 3.67Å; Y152-H294 AromaticContact CE1-CE1 3.27Å; Y152-H294 WeakPolarHBondContact CE1-CE1 3.23Å; Y152-H294 AromaticContact CE1-CG 3.83Å; Y152-H294 AromaticContact CE1-ND1 3.59Å; Y152-H294 AromaticContact CE1-NE2 3.33Å; Y152-H294 VanDerWaalsContact CE1-NE2 3.33Å; Y152-H294 WeakPolarHBondContact CE1-NE2 3.14Å; Y152-H294 AromaticContact CZ-CE1 3.89Å; P291-H294 WeakPolarHBondContact O-CB 3.41Å; P291-H294 PolarHBondContact O-N 3.19Å; F292-H294 PolarHBondContact O-N 2.78Å; F292-H294 VanDerWaalsContact O-N 3.16Å; H294-M296 PolarHBondContact O-N 3.02Å; H294-E297 PolarHBondContact O-N 2.65Å; H294-E297 VanDerWaalsContact O-N 3.14Å; H294-Q298 PolarHBondContact O-N 3.11Å
295I94.6Very high95Very high11 Ų1111.6 Ų11.66%0.0566%0.062CC..Hα-helixtrans-54.1-29178.2-164.354.9000113.7I259 Q298 V299 T432 M435I259-I295 HydrophobicContact CD1-CD1 3.71Å; I295-Q298 HydrophobicContact CD1-CB 4.3Å; I295-Q298 WeakPolarHBondContact O-CB 3.3Å; I295-Q298 PolarHBondContact O-N 3.07Å; I295-V299 HydrophobicContact CD1-CG2 4.15Å; I295-V299 HydrophobicContact CG1-CG2 4.16Å; I295-V299 WeakPolarHBondContact O-CG2 3.29Å; I295-V299 PolarHBondContact O-N 3.42Å; I295-T432 HydrophobicContact CB-CG2 4.33Å; I295-M435 HydrophobicContact CD1-SD 4.37Å
296M92.3Very high95Very high36 Ų3611.5 Ų11.518%0.1776%0.062CC..Hα-helixtrans-65.5-45.1-179.1-171.5163.188.600111.7L290 H294 Q298 N300 T334 T335 V336L290-M296 HydrophobicContact CD1-CE 3.28Å; H294-M296 PolarHBondContact O-N 3.02Å; M296-Q298 VanDerWaalsContact C-N 3.34Å; M296-N300 WeakPolarHBondContact CG-ND2 3.46Å; M296-N300 WeakPolarHBondContact O-CB 3.36Å; M296-N300 PolarHBondContact O-N 2.78Å; M296-N300 VanDerWaalsContact O-N 3.08Å; M296-N300 PolarHBondContact O-ND2 3.35Å; M296-T334 HydrophobicContact CE-CG2 3.99Å; M296-T334 HydrophobicContact CG-CG2 4.16Å; M296-T334 HydrophobicContact SD-CG2 4.44Å; M296-T335 VanDerWaalsContact CE-O 3.28Å; M296-T335 WeakPolarHBondContact CE-O 3.47Å; M296-V336 HydrophobicContact CE-CG1 3.84Å
297E94.9Very high94.9Very high0 Ų011.9 Ų11.90%06%0.063CC..Hα-helixtrans-69.5-37.1176.9-176.463.4-166.300110.9H286 S288 L290 F292 H294 V299 N300 S301H286-E297 IonicContact CD2-OE1 2.62Å; H286-E297 IonicContact CE1-OE2 3.65Å; H286-E297 IonicContact NE2-OE1 2.79Å; H286-E297 PolarHBondContact NE2-OE1 2.91Å; H286-E297 IonicContact NE2-OE2 3.79Å; H286-E297 PolarHBondContact NE2-OE2 3.17Å; S288-E297 WeakPolarHBondContact CA-OE1 3.36Å; S288-E297 WeakPolarHBondContact CB-OE1 3.37Å; S288-E297 PolarHBondContact OG-OE1 3.22Å; L290-E297 HydrophobicContact CB-CB 4.11Å; L290-E297 WeakPolarHBondContact O-CB 3.27Å; L290-E297 WeakPolarHBondContact O-CG 2.94Å; F292-E297 HydrophobicContact CD1-CB 4.33Å; F292-E297 HydrophobicContact CD1-CG 3.55Å; F292-E297 HydrophobicContact CE1-CG 3.71Å; F292-E297 HydrophobicContact CG-CG 4.28Å; H294-E297 PolarHBondContact O-N 2.65Å; H294-E297 VanDerWaalsContact O-N 3.14Å; E297-V299 PolarHBondContact O-N 3.44Å; E297-N300 PolarHBondContact O-N 3.48Å; E297-S301 VanDerWaalsContact O-CB 3.23Å; E297-S301 WeakPolarHBondContact O-CB 3.33Å; E297-S301 PolarHBondContact O-N 2.97Å; E297-S301 PolarHBondContact O-OG 3.14Å; E297-S301 PolarHBondContact OE1-OG 2.91Å
298Q97.2Very high95Very high1 Ų112 Ų121%0.0056%0.064CC..Hα-helixtrans-55.9-52176.5-69-67.2-14.600111.9M243 I264 F292 H294 I295 M296 S302M243-Q298 HydrophobicContact CE-CG 3.78Å; M243-Q298 HydrophobicContact SD-CG 4.35Å; I264-Q298 HydrophobicContact CD1-CB 4.01Å; F292-Q298 VanDerWaalsContact O-CG 3.25Å; F292-Q298 WeakPolarHBondContact O-CG 3.41Å; F292-Q298 PolarHBondContact O-NE2 2.98Å; H294-Q298 PolarHBondContact O-N 3.11Å; I295-Q298 HydrophobicContact CD1-CB 4.3Å; I295-Q298 WeakPolarHBondContact O-CB 3.3Å; I295-Q298 PolarHBondContact O-N 3.07Å; M296-Q298 VanDerWaalsContact C-N 3.34Å; Q298-S302 WeakPolarHBondContact O-CB 3.41Å; Q298-S302 PolarHBondContact O-N 3.35Å; Q298-S302 VanDerWaalsContact O-N 3.14Å; Q298-S302 PolarHBondContact O-OG 3Å
299V97.2Very high95Very high2 Ų212 Ų121%0.0127%0.065CC..Hα-helixtrans-68.9-44.7-179.21790000111.1I264 A267 V268 I271 I295 E297 S302 V303I264-V299 HydrophobicContact CG1-CG2 4.17Å; A267-V299 HydrophobicContact CB-CG1 4.19Å; A267-V299 HydrophobicContact CB-CG2 4.16Å; V268-V299 HydrophobicContact CG2-CG1 4.14Å; I271-V299 HydrophobicContact CD1-CG1 3.39Å; I271-V299 HydrophobicContact CG1-CG1 4.46Å; I295-V299 HydrophobicContact CD1-CG2 4.15Å; I295-V299 HydrophobicContact CG1-CG2 4.16Å; I295-V299 WeakPolarHBondContact O-CG2 3.29Å; I295-V299 PolarHBondContact O-N 3.42Å; E297-V299 PolarHBondContact O-N 3.44Å; V299-S302 WeakPolarHBondContact O-CB 3.41Å; V299-S302 PolarHBondContact O-N 2.56Å; V299-V303 WeakPolarHBondContact O-CG2 3.43Å; V299-V303 PolarHBondContact O-N 3.03Å
300N96.4Very high95.4Very high11 Ų1113.5 Ų13.56%0.0597%0.072CC..Hα-helixtrans-68.7-42.1-176.8-74.6-61.8000112.8M296 E297 S302 V303 V304 T334M296-N300 WeakPolarHBondContact CG-ND2 3.46Å; M296-N300 WeakPolarHBondContact O-CB 3.36Å; M296-N300 PolarHBondContact O-N 2.78Å; M296-N300 VanDerWaalsContact O-N 3.08Å; M296-N300 PolarHBondContact O-ND2 3.35Å; E297-N300 PolarHBondContact O-N 3.48Å; N300-S302 PolarHBondContact O-N 2.86Å; N300-V303 WeakPolarHBondContact O-CB 3.43Å; N300-V303 PolarHBondContact O-N 2.83Å; N300-V304 WeakPolarHBondContact O-CG2 3.4Å; N300-V304 PolarHBondContact O-N 3.2Å; N300-V304 VanDerWaalsContact O-N 3.12Å; N300-T334 HydrophobicContact CB-CG2 4.23Å; N300-T334 WeakPolarHBondContact ND2-CG2 3.23Å
301S97.8Very high95.7Very high4 Ų412.9 Ų12.93%0.0287%0.068CC..Hα-helixtrans-61-36.4172.4-80.70000111.3E297 V304 I305E297-S301 VanDerWaalsContact O-CB 3.23Å; E297-S301 WeakPolarHBondContact O-CB 3.33Å; E297-S301 PolarHBondContact O-N 2.97Å; E297-S301 PolarHBondContact O-OG 3.14Å; E297-S301 PolarHBondContact OE1-OG 2.91Å; S301-V304 WeakPolarHBondContact O-CB 3.4Å; S301-V304 PolarHBondContact O-N 2.75Å; S301-I305 VanDerWaalsContact O-CG1 3.28Å; S301-I305 WeakPolarHBondContact O-CG1 3.2Å; S301-I305 PolarHBondContact O-N 2.82Å
302S98.5Very high96.2Very high3 Ų310 Ų102%0.0215%0.05CC..Hα-helixtrans-66.2-37.4176.2-58.10000112.9M64 V268 Q298 V299 N300 V304 I305 L306M64-S302 VanDerWaalsContact CE-OG 3.3Å; M64-S302 WeakPolarHBondContact CE-OG 3.29Å; V268-S302 VanDerWaalsContact CG2-CB 3.45Å; Q298-S302 WeakPolarHBondContact O-CB 3.41Å; Q298-S302 PolarHBondContact O-N 3.35Å; Q298-S302 VanDerWaalsContact O-N 3.14Å; Q298-S302 PolarHBondContact O-OG 3Å; V299-S302 WeakPolarHBondContact O-CB 3.41Å; V299-S302 PolarHBondContact O-N 2.56Å; N300-S302 PolarHBondContact O-N 2.86Å; S302-V304 VanDerWaalsContact C-N 3.34Å; S302-I305 PolarHBondContact O-N 2.83Å; S302-L306 VanDerWaalsContact O-CB 3.28Å; S302-L306 WeakPolarHBondContact O-CB 3.42Å; S302-L306 PolarHBondContact O-N 3.37Å
303V97.8Very high96.4Very high10 Ų1010.1 Ų10.16%0.0615%0.051CC..Hα-helixtrans-59.2-46.2170.5173.90000110.7V268 I271 I272 C280 V299 N300 I305 L306 E307V268-V303 HydrophobicContact CB-CG2 4.29Å; V268-V303 HydrophobicContact CG1-CB 4.48Å; V268-V303 HydrophobicContact CG1-CG2 3.84Å; V268-V303 HydrophobicContact CG2-CG2 4.27Å; I271-V303 HydrophobicContact CB-CG2 4.23Å; I271-V303 HydrophobicContact CD1-CG2 4.28Å; I271-V303 HydrophobicContact CG2-CG2 4.16Å; I272-V303 HydrophobicContact CD1-CG1 4.42Å; I272-V303 HydrophobicContact CG1-CG1 4.06Å; C280-V303 HydrophobicContact CB-CG1 4Å; V299-V303 WeakPolarHBondContact O-CG2 3.43Å; V299-V303 PolarHBondContact O-N 3.03Å; N300-V303 WeakPolarHBondContact O-CB 3.43Å; N300-V303 PolarHBondContact O-N 2.83Å; V303-I305 VanDerWaalsContact C-N 3.35Å; V303-I305 PolarHBondContact O-N 3.14Å; V303-L306 PolarHBondContact O-N 3.34Å; V303-E307 WeakPolarHBondContact O-CG 3.4Å; V303-E307 PolarHBondContact O-N 3.43Å; V303-E307 VanDerWaalsContact O-N 3.11Å
304V98.2Very high96.6Very high4 Ų411.5 Ų11.52%0.0246%0.057CC..Hα-helixtrans-61.8-43.6-178.8176.10000111.2H286 N300 S301 S302 G308 A309 I311H286-V304 HydrophobicContact CB-CB 4.47Å; H286-V304 HydrophobicContact CB-CG1 4.1Å; H286-V304 HydrophobicContact CB-CG2 3.62Å; N300-V304 WeakPolarHBondContact O-CG2 3.4Å; N300-V304 PolarHBondContact O-N 3.2Å; N300-V304 VanDerWaalsContact O-N 3.12Å; S301-V304 WeakPolarHBondContact O-CB 3.4Å; S301-V304 PolarHBondContact O-N 2.75Å; S302-V304 VanDerWaalsContact C-N 3.34Å; V304-G308 PolarHBondContact O-N 3Å; V304-A309 HydrophobicContact CG1-CB 3.73Å; V304-A309 VanDerWaalsContact O-CB 3.32Å; V304-A309 WeakPolarHBondContact O-CB 3.33Å; V304-A309 PolarHBondContact O-N 3.24Å; V304-I311 HydrophobicContact CB-CG1 4.24Å; V304-I311 HydrophobicContact CG1-CD1 4.36Å; V304-I311 HydrophobicContact CG1-CG1 3.65Å
305I98.5Very high96.9Very high0 Ų09.8 Ų9.80%05%0.051CC..Hα-helixtrans-70.2-44.3-179.9-66-66.2000111.7L67 F68 G71 Y96 F135 S301 S302 V303 E307 G308 I311L67-I305 HydrophobicContact CD2-CB 4.24Å; L67-I305 HydrophobicContact CD2-CG2 3.94Å; F68-I305 HydrophobicContact CB-CG2 4.49Å; F68-I305 HydrophobicContact CD2-CG2 3.83Å; G71-I305 WeakPolarHBondContact CA-O 3.31Å; Y96-I305 HydrophobicContact CE1-CD1 4.4Å; Y96-I305 HydrophobicContact CE1-CG2 4.29Å; Y96-I305 PolarHBondContact OH-O 2.76Å; F135-I305 HydrophobicContact CE2-CD1 3.92Å; F135-I305 HydrophobicContact CE2-CG1 3.73Å; F135-I305 HydrophobicContact CZ-CD1 3.6Å; F135-I305 HydrophobicContact CZ-CG1 3.64Å; S301-I305 VanDerWaalsContact O-CG1 3.28Å; S301-I305 WeakPolarHBondContact O-CG1 3.2Å; S301-I305 PolarHBondContact O-N 2.82Å; S302-I305 PolarHBondContact O-N 2.83Å; V303-I305 VanDerWaalsContact C-N 3.35Å; V303-I305 PolarHBondContact O-N 3.14Å; I305-E307 VanDerWaalsContact C-N 3.26Å; I305-E307 PolarHBondContact O-N 3.08Å; I305-G308 PolarHBondContact O-N 3.02Å; I305-I311 HydrophobicContact CD1-CD1 3.89Å; I305-I311 HydrophobicContact CD1-CG1 4.48Å; I305-I311 HydrophobicContact CG1-CD1 3.89Å
306L98.2Very high96.5Very high0 Ų011.5 Ų11.50%06%0.064CC..Hα-helixtrans-59.9-38178.5-17960.1000112F58 V61 L67 K70 V268 F269 I272 S302 V303 G308F58-L306 HydrophobicContact CB-CD1 4.41Å; F58-L306 HydrophobicContact CD1-CD1 3.78Å; F58-L306 HydrophobicContact CD1-CG 4.2Å; F58-L306 HydrophobicContact CD2-CD1 4.29Å; F58-L306 HydrophobicContact CD2-CD2 3.67Å; F58-L306 HydrophobicContact CD2-CG 3.97Å; F58-L306 HydrophobicContact CE1-CD1 3.99Å; F58-L306 HydrophobicContact CE1-CG 4.1Å; F58-L306 HydrophobicContact CE2-CD1 4.46Å; F58-L306 HydrophobicContact CE2-CD2 3.88Å; F58-L306 HydrophobicContact CE2-CG 3.84Å; F58-L306 HydrophobicContact CG-CD1 3.92Å; F58-L306 HydrophobicContact CG-CD2 4.06Å; F58-L306 HydrophobicContact CG-CG 4.12Å; F58-L306 HydrophobicContact CZ-CD1 4.31Å; F58-L306 HydrophobicContact CZ-CD2 4.45Å; F58-L306 HydrophobicContact CZ-CG 3.9Å; V61-L306 HydrophobicContact CG1-CD1 4.45Å; V61-L306 HydrophobicContact CG2-CD1 4.1Å; L67-L306 HydrophobicContact CD1-CB 4.37Å; L67-L306 HydrophobicContact CD2-CB 4.28Å; L67-L306 HydrophobicContact CG-CB 4.02Å; L67-L306 HydrophobicContact CG-CD1 4.19Å; K70-L306 HydrophobicContact CB-CD1 3.93Å; K70-L306 HydrophobicContact CG-CD1 3.88Å; V268-L306 HydrophobicContact CG1-CD2 3.6Å; F269-L306 HydrophobicContact CD1-CD2 4.2Å; F269-L306 HydrophobicContact CE1-CD2 3.78Å; I272-L306 HydrophobicContact CD1-CD2 3.79Å; S302-L306 VanDerWaalsContact O-CB 3.28Å; S302-L306 WeakPolarHBondContact O-CB 3.42Å; S302-L306 PolarHBondContact O-N 3.37Å; V303-L306 PolarHBondContact O-N 3.34Å; L306-G308 PolarHBondContact O-N 2.86Å
307E96.9Very high96Very high8 Ų813.4 Ų13.44%0.0378%0.078CC..THydrogen-bonded Turntrans-75.1-1.8175.4-72.6-62.9163.100113.9K57 K282 V303 I305 A309K57-E307 IonicContact NZ-OE1 3.5Å; K57-E307 PolarHBondContact NZ-OE1 3.44Å; K57-E307 IonicContact NZ-OE2 3.43Å; K57-E307 PolarHBondContact NZ-OE2 2.83Å; K282-E307 WeakPolarHBondContact CA-O 3.37Å; K282-E307 VanDerWaalsContact CB-O 3.27Å; K282-E307 WeakPolarHBondContact CB-O 3.37Å; K282-E307 PolarHBondContact N-O 3.43Å; V303-E307 WeakPolarHBondContact O-CG 3.4Å; V303-E307 PolarHBondContact O-N 3.43Å; V303-E307 VanDerWaalsContact O-N 3.11Å; I305-E307 VanDerWaalsContact C-N 3.26Å; I305-E307 PolarHBondContact O-N 3.08Å; E307-A309 VanDerWaalsContact C-N 3.28Å; E307-A309 PolarHBondContact O-N 2.88Å
308G97.9Very high95.4Very high2 Ų216.7 Ų16.72%0.02110%0.097CC..THydrogen-bonded Turntrans70.223-17800000113.5S75 Y96 V304 I305 L306S75-G308 VanDerWaalsContact CB-O 3.24Å; S75-G308 WeakPolarHBondContact CB-O 3.46Å; S75-G308 WeakPolarHBondContact OG-CA 3.37Å; S75-G308 PolarHBondContact OG-O 3.08Å; Y96-G308 VanDerWaalsContact OH-C 3.26Å; Y96-G308 WeakPolarHBondContact OH-CA 3.21Å; V304-G308 PolarHBondContact O-N 3Å; I305-G308 PolarHBondContact O-N 3.02Å; L306-G308 PolarHBondContact O-N 2.86Å
309A98.2Very high94.5Very high2 Ų223.3 Ų23.32%0.01713%0.133CC..  trans-86.3-164.2178.400000111Y96 N281 V304 E307Y96-A309 WeakPolarHBondContact CE2-O 3.5Å; Y96-A309 PolarHBondContact OH-N 3.15Å; Y96-A309 PolarHBondContact OH-O 3.45Å; N281-A309 WeakPolarHBondContact O-CB 3.42Å; V304-A309 HydrophobicContact CG1-CB 3.73Å; V304-A309 VanDerWaalsContact O-CB 3.32Å; V304-A309 WeakPolarHBondContact O-CB 3.33Å; V304-A309 PolarHBondContact O-N 3.24Å; E307-A309 VanDerWaalsContact C-N 3.28Å; E307-A309 PolarHBondContact O-N 2.88Å
310K98.6Very high94Very high55 Ų5523.4 Ų23.424%0.23913%0.134CC..EExtended strand (participates in β ladder)trans-134.9149.3-174.772-175-178.4169.60114P79 C80 W93 S284 T285 H286P79-K310 HydrophobicContact CB-CD 3.93Å; P79-K310 VanDerWaalsContact O-CB 3.26Å; P79-K310 WeakPolarHBondContact O-CB 3.2Å; C80-K310 CarbonylContact O-C 3.58Å; C80-K310 WeakPolarHBondContact O-CA 3.46Å; W93-K310 HydrophobicContact CE3-CB 4.4Å; W93-K310 HydrophobicContact CE3-CD 4.2Å; W93-K310 HydrophobicContact CH2-CB 4.25Å; W93-K310 HydrophobicContact CH2-CD 3.61Å; W93-K310 HydrophobicContact CH2-CG 3.78Å; W93-K310 HydrophobicContact CZ2-CD 4.07Å; W93-K310 HydrophobicContact CZ3-CB 3.7Å; W93-K310 HydrophobicContact CZ3-CD 3.68Å; W93-K310 HydrophobicContact CZ3-CG 3.76Å; S284-K310 PolarHBondContact O-N 2.94Å; T285-K310 WeakPolarHBondContact CA-O 3.34Å; T285-K310 HydrophobicContact CG2-CG 4.16Å; T285-K310 WeakPolarHBondContact OG1-CE 3.41Å; H286-K310 PolarHBondContact N-O 2.99Å
311I98.8Very high93.6Very high0 Ų023.5 Ų23.50%014%0.135CC..EExtended strand (participates in β ladder)trans-116.7123.6-177.5-58.3173.6000109.1C80 L81 G82 W93 F135 H286 S288 V304 I305 F313C80-I311 PolarHBondContact O-N 2.7Å; L81-I311 CarbonylContact C-O 3.09Å; L81-I311 WeakPolarHBondContact CA-O 3.27Å; L81-I311 HydrophobicContact CD2-CB 4.23Å; L81-I311 HydrophobicContact CD2-CD1 4.47Å; G82-I311 PolarHBondContact N-O 2.86Å; W93-I311 WeakPolarHBondContact CZ3-O 3.35Å; F135-I311 HydrophobicContact CE2-CD1 4.17Å; H286-I311 WeakPolarHBondContact O-CA 3.48Å; S288-I311 VanDerWaalsContact CB-CG2 3.49Å; V304-I311 HydrophobicContact CB-CG1 4.24Å; V304-I311 HydrophobicContact CG1-CD1 4.36Å; V304-I311 HydrophobicContact CG1-CG1 3.65Å; I305-I311 HydrophobicContact CD1-CD1 3.89Å; I305-I311 HydrophobicContact CD1-CG1 4.48Å; I305-I311 HydrophobicContact CG1-CD1 3.89Å; I311-F313 HydrophobicContact CG2-CE1 4.17Å; I311-F313 HydrophobicContact CG2-CE2 4.13Å; I311-F313 HydrophobicContact CG2-CZ 3.88Å
312G98.4Very high93.3Very high0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-98.4144.2164.800000110.8G82 H286 L287 S288G82-G312 CarbonylContact O-C 3.52Å; G82-G312 WeakPolarHBondContact O-CA 3.38Å; H286-G312 PolarHBondContact O-N 2.63Å; L287-G312 CarbonylContact C-O 3.48Å; L287-G312 WeakPolarHBondContact CA-O 3.24Å; S288-G312 PolarHBondContact N-O 3.19Å
313F97.4Very high93Very high2 Ų228.6 Ų28.61%0.00917%0.166CC..EExtended strand (participates in β ladder)trans-103.2151.3176.2-64.4-81.2000111.6L81 G82 Y91 N130 P132 F135 F292 I311L81-F313 HydrophobicContact CB-CE2 4.16Å; L81-F313 HydrophobicContact CD2-CE2 4Å; L81-F313 HydrophobicContact CD2-CZ 4.22Å; L81-F313 HydrophobicContact CG-CE2 4.5Å; G82-F313 WeakPolarHBondContact O-CD2 3.45Å; G82-F313 PolarHBondContact O-N 3.26Å; Y91-F313 WeakPolarHBondContact CE1-O 3.12Å; Y91-F313 PolarHBondContact OH-O 2.84Å; N130-F313 HydrophobicContact CB-CD1 3.76Å; N130-F313 HydrophobicContact CB-CE1 4.02Å; P132-F313 HydrophobicContact CB-CE2 4.24Å; P132-F313 VanDerWaalsContact CD-CD2 3.48Å; P132-F313 HydrophobicContact CG-CD2 3.58Å; P132-F313 HydrophobicContact CG-CE2 3.71Å; F135-F313 HydrophobicContact CB-CZ 4.33Å; F292-F313 AromaticContact CE2-CE1 3.52Å; F292-F313 HydrophobicContact CE2-CE1 3.52Å; F292-F313 HydrophobicContact CE2-CZ 4.12Å; F292-F313 AromaticContact CZ-CE1 3.79Å; F292-F313 HydrophobicContact CZ-CE1 3.79Å; F292-F313 HydrophobicContact CZ-CZ 4.18Å; I311-F313 HydrophobicContact CG2-CE1 4.17Å; I311-F313 HydrophobicContact CG2-CE2 4.13Å; I311-F313 HydrophobicContact CG2-CZ 3.88Å
314L93.8Very high92.9Very high32 Ų3228.1 Ų28.117%0.16816%0.163CC..PPolyproline II helixtrans-54.5144.8172.8-74.7-177.7000111.9L287 L321 D324L287-L314 HydrophobicContact CD1-CD2 4.41Å; L287-L314 HydrophobicContact CD2-CD2 4.45Å; L314-L321 HydrophobicContact CD2-CD1 4.06Å; L314-D324 WeakPolarHBondContact CA-OD2 3.39Å; L314-D324 HydrophobicContact CD2-CB 3.98Å; L314-D324 WeakPolarHBondContact CD2-OD2 3.39Å
315T93.4Very high92.8Very high23 Ų2328 Ų2814%0.14116%0.162CC..SBendtrans-71.2-40.2172.7-57.10000111.1R84 Q87 D324R84-T315 HydrophobicContact CG-CG2 4.47Å; R84-T315 PolarHBondContact NE-OG1 2.88Å; R84-T315 PolarHBondContact NH2-OG1 2.88Å; Q87-T315 HydrophobicContact CG-CG2 4.36Å; T315-D324 PolarHBondContact N-OD2 3.19Å; T315-D324 PolarHBondContact OG1-OD1 3.08Å
316S85.1Confident92.6Very high46 Ų4633.7 Ų33.732%0.32219%0.189SC..SBendtrans-140.4-117.2-176.162.10000112.3
317T83.3Confident92.5Very high76 Ų7635.9 Ų35.947%0.46620%0.204SC..SBendtrans-96.3173.9176.966.40000110.4D319 G320T317-D319 PolarHBondContact O-N 2.93Å; T317-D319 PolarHBondContact OG1-N 3.45Å; T317-D319 PolarHBondContact OG1-OD2 3.28Å; T317-D319 VanDerWaalsContact OG1-OD2 3.07Å; T317-G320 PolarHBondContact O-N 3.33Å
318V81.8Confident92.6Very high69 Ų6936.2 Ų36.242%0.41821%0.206SC..G310 helixtrans-60.3-16.3176.872.50000113.4Y289 G320 L321Y289-V318 HydrophobicContact CD2-CG2 4.21Å; Y289-V318 HydrophobicContact CE2-CG2 4.42Å; V318-G320 PolarHBondContact O-N 2.78Å; V318-L321 HydrophobicContact CG2-CB 4.32Å; V318-L321 HydrophobicContact CG2-CD2 4.25Å; V318-L321 WeakPolarHBondContact O-CB 3.3Å; V318-L321 PolarHBondContact O-N 3.05Å; V318-L321 VanDerWaalsContact O-N 3.08Å
319D79.2Confident92.5Very high140 Ų14041.2 Ų41.275%0.74923%0.227SC*.G310 helixtrans-64.4-29.1174.2-56.3-46.5000111.7T317 L321T317-D319 PolarHBondContact O-N 2.93Å; T317-D319 PolarHBondContact OG1-N 3.45Å; T317-D319 PolarHBondContact OG1-OD2 3.28Å; T317-D319 VanDerWaalsContact OG1-OD2 3.07Å; D319-L321 VanDerWaalsContact C-N 3.31Å; D319-L321 PolarHBondContact O-N 3.03Å
320G85.9Confident92.5Very high4 Ų441.1 Ų41.14%0.04123%0.226CC..G310 helixtrans-81.50.4174.100000114.9T317 V318 L322 A323 D324T317-G320 PolarHBondContact O-N 3.33Å; V318-G320 PolarHBondContact O-N 2.78Å; G320-L322 PolarHBondContact O-N 3.42Å; G320-A323 WeakPolarHBondContact O-CB 3.43Å; G320-A323 PolarHBondContact O-N 2.65Å; G320-D324 PolarHBondContact O-N 2.89Å
321L88.3Confident92.4Very high14 Ų1438.5 Ų38.57%0.07322%0.215CC..Hα-helixtrans-53.4-45.9-169.917664.4000113.5L287 Y289 L314 V318 D319 D324 C325 V339L287-L321 HydrophobicContact CD2-CD1 3.53Å; Y289-L321 HydrophobicContact CD1-CD1 3.88Å; Y289-L321 HydrophobicContact CD2-CD1 4.24Å; Y289-L321 HydrophobicContact CE1-CD1 4.31Å; Y289-L321 HydrophobicContact CE2-CD2 4.3Å; Y289-L321 HydrophobicContact CG-CD1 3.83Å; L314-L321 HydrophobicContact CD2-CD1 4.06Å; V318-L321 HydrophobicContact CG2-CB 4.32Å; V318-L321 HydrophobicContact CG2-CD2 4.25Å; V318-L321 WeakPolarHBondContact O-CB 3.3Å; V318-L321 PolarHBondContact O-N 3.05Å; V318-L321 VanDerWaalsContact O-N 3.08Å; D319-L321 VanDerWaalsContact C-N 3.31Å; D319-L321 PolarHBondContact O-N 3.03Å; L321-D324 PolarHBondContact O-N 3.48Å; L321-C325 WeakPolarHBondContact O-CB 3.49Å; L321-C325 PolarHBondContact O-N 2.73Å; L321-C325 PolarHBondContact O-SG 3.46Å; L321-C325 VanDerWaalsContact O-SG 3.34Å; L321-V339 HydrophobicContact CD2-CG1 4.08Å
322L91.1Very high92.2Very high78 Ų7838.7 Ų38.741%0.40822%0.216SC..Hα-helixtrans-67.6-37.8-179.1-63.6-178.3000112G320 D324 C325 E326 L395G320-L322 PolarHBondContact O-N 3.42Å; L322-D324 VanDerWaalsContact C-N 3.32Å; L322-C325 PolarHBondContact O-N 3.18Å; L322-E326 WeakPolarHBondContact O-CB 3.44Å; L322-E326 PolarHBondContact O-N 2.69Å; L322-L395 HydrophobicContact CD2-CD2 3.6Å
323A92.2Very high92Very high35 Ų3538.8 Ų38.829%0.28922%0.217SC..Hα-helixtrans-67.7-33.9176.200000111.9R84 G320 S327R84-A323 PolarHBondContact NH2-O 2.69Å; G320-A323 WeakPolarHBondContact O-CB 3.43Å; G320-A323 PolarHBondContact O-N 2.65Å; A323-S327 WeakPolarHBondContact O-CB 3.41Å; A323-S327 PolarHBondContact O-N 2.79Å
324D95.6Very high91.8Very high0 Ų038.8 Ų38.80%022%0.217CC..Hα-helixtrans-71.4-42172-80.2-42.3000111.9R84 Y91 L287 L314 T315 G320 L321 L322 E326 S327 L328R84-D324 IonicContact CZ-OD1 3.55Å; R84-D324 IonicContact NE-OD1 3.9Å; R84-D324 PolarHBondContact NE-OD1 3.5Å; R84-D324 IonicContact NH2-OD1 3.49Å; R84-D324 PolarHBondContact NH2-OD1 3.34Å; Y91-D324 PolarHBondContact OH-OD1 3.24Å; L287-D324 HydrophobicContact CD1-CB 4.32Å; L287-D324 HydrophobicContact CD2-CB 4.32Å; L314-D324 WeakPolarHBondContact CA-OD2 3.39Å; L314-D324 HydrophobicContact CD2-CB 3.98Å; L314-D324 WeakPolarHBondContact CD2-OD2 3.39Å; T315-D324 PolarHBondContact N-OD2 3.19Å; T315-D324 PolarHBondContact OG1-OD1 3.08Å; G320-D324 PolarHBondContact O-N 2.89Å; L321-D324 PolarHBondContact O-N 3.48Å; L322-D324 VanDerWaalsContact C-N 3.32Å; D324-E326 PolarHBondContact O-N 3.07Å; D324-S327 PolarHBondContact O-N 3.23Å; D324-L328 WeakPolarHBondContact O-CB 3.38Å; D324-L328 PolarHBondContact O-N 3.38Å
325C96Very high91.7Very high1 Ų137.3 Ų37.31%0.00721%0.209CC..Hα-helixtrans-58-46.3172.9-76.70000112.2L287 L321 L322 S327 K329 P330 G396L287-C325 WeakPolarHBondContact CD2-SG 3.21Å; L321-C325 WeakPolarHBondContact O-CB 3.49Å; L321-C325 PolarHBondContact O-N 2.73Å; L321-C325 PolarHBondContact O-SG 3.46Å; L321-C325 VanDerWaalsContact O-SG 3.34Å; L322-C325 PolarHBondContact O-N 3.18Å; C325-S327 VanDerWaalsContact C-N 3.31Å; C325-S327 PolarHBondContact O-N 3.35Å; C325-K329 WeakPolarHBondContact O-CA 3.49Å; C325-K329 PolarHBondContact O-N 3.13Å; C325-P330 HydrophobicContact CB-CG 4.38Å; C325-P330 WeakPolarHBondContact O-CD 3.5Å; C325-G396 VanDerWaalsContact O-CA 3.27Å; C325-G396 WeakPolarHBondContact O-CA 3.36Å
326E95Very high91.2Very high121 Ų12138.3 Ų38.357%0.56522%0.215SC*.Hα-helixtrans-61.9-39.5-179.9-171.9173.2-169.200112.3L322 D324 K329L322-E326 WeakPolarHBondContact O-CB 3.44Å; L322-E326 PolarHBondContact O-N 2.69Å; D324-E326 PolarHBondContact O-N 3.07Å; E326-K329 WeakPolarHBondContact O-CG 3.4Å
327S96.3Very high91.1Very high45 Ų4536.7 Ų36.732%0.31520%0.204SC..Hα-helixtrans-75-50.4179.1-175.80000112.8R84 A323 D324 C325R84-S327 VanDerWaalsContact NH1-CB 3.29Å; R84-S327 PolarHBondContact NH1-OG 2.94Å; A323-S327 WeakPolarHBondContact O-CB 3.41Å; A323-S327 PolarHBondContact O-N 2.79Å; D324-S327 PolarHBondContact O-N 3.23Å; C325-S327 VanDerWaalsContact C-N 3.31Å; C325-S327 PolarHBondContact O-N 3.35Å
328L97.6Very high90.8Very high15 Ų1539.5 Ų39.58%0.07921%0.206CC..Hα-helixtrans-71.3-32.9-176.5-177.661.6000112.4Y91 W93 T285 L287 D324Y91-L328 HydrophobicContact CD1-CD1 3.97Å; Y91-L328 HydrophobicContact CD2-CB 4.3Å; Y91-L328 HydrophobicContact CD2-CD1 4.26Å; Y91-L328 HydrophobicContact CE1-CD1 3.93Å; Y91-L328 HydrophobicContact CE2-CB 3.73Å; Y91-L328 HydrophobicContact CE2-CD1 4.24Å; Y91-L328 HydrophobicContact CE2-CG 4.5Å; Y91-L328 HydrophobicContact CG-CD1 4.14Å; W93-L328 HydrophobicContact CH2-CD1 3.66Å; W93-L328 HydrophobicContact CZ2-CD1 3.58Å; T285-L328 HydrophobicContact CG2-CD1 3.64Å; T285-L328 HydrophobicContact CG2-CD2 4.12Å; T285-L328 HydrophobicContact CG2-CG 3.66Å; L287-L328 HydrophobicContact CB-CD2 3.77Å; L287-L328 HydrophobicContact CD1-CD2 3.55Å; L287-L328 HydrophobicContact CG-CD2 4.18Å; D324-L328 WeakPolarHBondContact O-CB 3.38Å; D324-L328 PolarHBondContact O-N 3.38Å
329K97.3Very high90.8Very high107 Ų10737.3 Ų37.347%0.46519%0.192SC..  trans54.661.2-173.6-54.7-178.7179.6175.40112.2C325 E326 G396 R398C325-K329 WeakPolarHBondContact O-CA 3.49Å; C325-K329 PolarHBondContact O-N 3.13Å; E326-K329 WeakPolarHBondContact O-CG 3.4Å; K329-G396 WeakPolarHBondContact CG-O 3.48Å; K329-R398 HydrophobicContact CB-CG 4.17Å
330P97.4Very high91.2Very high0 Ų030.7 Ų30.70%016%0.157CC..  trans-58.2149.2-179.825.5-32.6000111.3T285 L287 C325 R398 I399T285-P330 CarbonylContact O-C 3.55Å; T285-P330 VanDerWaalsContact O-CA 3.29Å; T285-P330 WeakPolarHBondContact O-CA 3.33Å; L287-P330 HydrophobicContact CB-CB 4.42Å; C325-P330 HydrophobicContact CB-CG 4.38Å; C325-P330 WeakPolarHBondContact O-CD 3.5Å; P330-R398 CarbonylContact O-C 3.58Å; P330-R398 VanDerWaalsContact O-C 3.31Å; P330-R398 WeakPolarHBondContact O-CB 3.33Å; P330-I399 HydrophobicContact CB-CD1 4.03Å; P330-I399 HydrophobicContact CG-CD1 3.89Å; P330-I399 WeakPolarHBondContact O-CD1 3.49Å; P330-I399 PolarHBondContact O-N 2.86Å
331T97Very high91Very high0 Ų032.2 Ų32.20%017%0.167CC..SBendtrans-102.6-25.1175.367.50000111.8V18 S284 T285 R398 C400 G401V18-T331 HydrophobicContact CG1-CG2 3.39Å; S284-T331 WeakPolarHBondContact CA-OG1 3.21Å; S284-T331 WeakPolarHBondContact CB-OG1 3.32Å; T285-T331 PolarHBondContact N-OG1 3.07Å; T285-T331 PolarHBondContact O-N 2.95Å; T331-R398 WeakPolarHBondContact CA-O 3.39Å; T331-R398 HydrophobicContact CG2-CB 4.33Å; T331-C400 PolarHBondContact O-N 2.81Å; T331-G401 PolarHBondContact O-N 3.34Å
332V94.3Very high90.6Very high4 Ų438 Ų382%0.02419%0.188CC..EExtended strand (participates in β ladder)trans-128.2137.6173.159.80000107.8T285 H286 G401 I403T285-V332 PolarHBondContact O-N 3.2Å; H286-V332 HydrophobicContact CB-CG1 4.12Å; V332-G401 WeakPolarHBondContact CA-O 3.49Å; V332-I403 HydrophobicContact CG2-CD1 3.86Å; V332-I403 HydrophobicContact CG2-CG1 4.27Å
333L94.1Very high90.5Very high3 Ų335.4 Ų35.42%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-123.5106.7175.6-17868.1000109.3Y289 L395 I399 G401 I402 I403Y289-L333 HydrophobicContact CD1-CD1 4.46Å; Y289-L333 HydrophobicContact CE1-CD1 3.96Å; L333-L395 HydrophobicContact CD2-CD1 4.3Å; L333-I399 HydrophobicContact CB-CD1 3.68Å; L333-G401 PolarHBondContact N-O 3.45Å; L333-I402 CarbonylContact O-C 3.56Å; L333-I402 WeakPolarHBondContact O-CA 3.37Å; L333-I403 PolarHBondContact O-N 3.08Å
334T93.6Very high90.4Very high2 Ų235.2 Ų35.21%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-80.8126.9166.9-53.10000108.7Y289 L290 M296 N300 I403Y289-T334 WeakPolarHBondContact CE1-O 3.42Å; L290-T334 HydrophobicContact CD1-CG2 3.63Å; M296-T334 HydrophobicContact CE-CG2 3.99Å; M296-T334 HydrophobicContact CG-CG2 4.16Å; M296-T334 HydrophobicContact SD-CG2 4.44Å; N300-T334 HydrophobicContact CB-CG2 4.23Å; N300-T334 WeakPolarHBondContact ND2-CG2 3.23Å; T334-I403 CarbonylContact C-O 3.56Å; T334-I403 WeakPolarHBondContact CA-O 3.2Å; T334-I403 HydrophobicContact CG2-CB 4.4Å; T334-I403 HydrophobicContact CG2-CG2 4.42Å
335T90.6Very high89.8Confident0 Ų038.5 Ų38.50%019%0.187CC..EExtended strand (participates in β ladder)trans-148.3177.9-169.9-168.50000112.5Y289 M296 V339 L340 I402 I403 T404Y289-T335 VanDerWaalsContact OH-CA 3.25Å; Y289-T335 WeakPolarHBondContact OH-CA 3.09Å; Y289-T335 VanDerWaalsContact OH-CB 3.29Å; Y289-T335 WeakPolarHBondContact OH-CB 3.3Å; Y289-T335 PolarHBondContact OH-OG1 3.13Å; M296-T335 VanDerWaalsContact CE-O 3.28Å; M296-T335 WeakPolarHBondContact CE-O 3.47Å; T335-V339 WeakPolarHBondContact OG1-CB 3.3Å; T335-L340 HydrophobicContact CG2-CD1 3.86Å; T335-L340 HydrophobicContact CG2-CD2 3.79Å; T335-L340 HydrophobicContact CG2-CG 3.71Å; T335-I402 HydrophobicContact CG2-CG2 3.59Å; T335-I403 PolarHBondContact N-O 2.88Å; T335-T404 WeakPolarHBondContact O-CA 3.41Å
336V84.5Confident89.4Confident45 Ų4545.3 Ų45.327%0.27322%0.216SC..  trans-121154.3176.5-660000110.6L290 M296 R338 V339 L340L290-V336 HydrophobicContact CD2-CG1 3.93Å; M296-V336 HydrophobicContact CE-CG1 3.84Å; V336-R338 PolarHBondContact O-N 3.2Å; V336-R338 VanDerWaalsContact O-N 3.08Å; V336-V339 HydrophobicContact CG2-CB 4.44Å; V336-V339 HydrophobicContact CG2-CG2 3.88Å; V336-V339 PolarHBondContact O-N 3.05Å; V336-L340 PolarHBondContact O-N 3.3Å
337P81.4Confident89.3Confident12 Ų1240.9 Ų40.98%0.07819%0.194CC..Hα-helixtrans-53.3-35-177.2-30.836.2000114.7V339 L340 S341 A407 P408 L409P337-V339 VanDerWaalsContact C-N 3.33Å; P337-V339 PolarHBondContact O-N 3.04Å; P337-L340 PolarHBondContact O-N 3.38Å; P337-S341 WeakPolarHBondContact O-CB 3.49Å; P337-S341 PolarHBondContact O-N 3.44Å; P337-S341 PolarHBondContact O-OG 3.15Å; P337-A407 HydrophobicContact CG-CB 4.03Å; P337-A407 VanDerWaalsContact CG-O 3.24Å; P337-A407 WeakPolarHBondContact CG-O 3.49Å; P337-P408 WeakPolarHBondContact CG-O 3.19Å; P337-L409 HydrophobicContact CB-CD1 3.83Å; P337-L409 HydrophobicContact CG-CB 4.37Å; P337-L409 HydrophobicContact CG-CD1 4.44Å
338R78Confident88.9Confident134 Ų13440.8 Ų40.851%0.50619%0.188SC..Hα-helixtrans-60.4-40.1178.5-172.7177.9-175-170.83.5112.7V336 S341 R342V336-R338 PolarHBondContact O-N 3.2Å; V336-R338 VanDerWaalsContact O-N 3.08Å; R338-S341 PolarHBondContact O-N 2.81Å; R338-R342 WeakPolarHBondContact O-CG 3.35Å; R338-R342 PolarHBondContact O-N 2.88Å
339V82.6Confident88.5Confident23 Ų2345 Ų4514%0.13921%0.207CC..Hα-helixtrans-69.4-43.8178.5172.80000110Y289 L321 T335 V336 P337 S341 R342 I343Y289-V339 HydrophobicContact CE2-CG2 4.39Å; L321-V339 HydrophobicContact CD2-CG1 4.08Å; T335-V339 WeakPolarHBondContact OG1-CB 3.3Å; V336-V339 HydrophobicContact CG2-CB 4.44Å; V336-V339 HydrophobicContact CG2-CG2 3.88Å; V336-V339 PolarHBondContact O-N 3.05Å; P337-V339 VanDerWaalsContact C-N 3.33Å; P337-V339 PolarHBondContact O-N 3.04Å; V339-S341 VanDerWaalsContact C-N 3.31Å; V339-S341 PolarHBondContact O-N 2.76Å; V339-R342 PolarHBondContact O-N 2.74Å; V339-I343 HydrophobicContact CG1-CD1 4.04Å; V339-I343 WeakPolarHBondContact O-CG1 3.28Å; V339-I343 PolarHBondContact O-N 3.3Å
340L86.4Confident88.1Confident1 Ų143.7 Ų43.71%0.00522%0.216CC..Hα-helixtrans-61.6-39.8175.6-66-179.6000112.2T335 V336 P337 I343 Y344 I402 T404 L409 I413 M417T335-L340 HydrophobicContact CG2-CD1 3.86Å; T335-L340 HydrophobicContact CG2-CD2 3.79Å; T335-L340 HydrophobicContact CG2-CG 3.71Å; V336-L340 PolarHBondContact O-N 3.3Å; P337-L340 PolarHBondContact O-N 3.38Å; L340-I343 PolarHBondContact O-N 3.16Å; L340-Y344 WeakPolarHBondContact O-CB 3.43Å; L340-Y344 PolarHBondContact O-N 3.26Å; L340-I402 HydrophobicContact CD2-CG2 4.25Å; L340-T404 HydrophobicContact CD1-CG2 4.34Å; L340-L409 HydrophobicContact CB-CD1 4.25Å; L340-L409 HydrophobicContact CD1-CD1 4.14Å; L340-L409 HydrophobicContact CD1-CD2 3.8Å; L340-I413 HydrophobicContact CB-CG2 3.94Å; L340-M417 HydrophobicContact CB-CE 3.97Å; L340-M417 HydrophobicContact CD2-CE 3.86Å; L340-M417 HydrophobicContact CD2-CG 4.22Å; L340-M417 HydrophobicContact CD2-SD 4.03Å; L340-M417 WeakPolarHBondContact O-CE 3.39Å
341S81.9Confident87.8Confident37 Ų3744.7 Ų44.726%0.25922%0.221SC..Hα-helixtrans-62.7-45.7175.2-52.80000111.5P337 R338 V339 I343 Y344 T345 I413P337-S341 WeakPolarHBondContact O-CB 3.49Å; P337-S341 PolarHBondContact O-N 3.44Å; P337-S341 PolarHBondContact O-OG 3.15Å; R338-S341 PolarHBondContact O-N 2.81Å; V339-S341 VanDerWaalsContact C-N 3.31Å; V339-S341 PolarHBondContact O-N 2.76Å; S341-I343 VanDerWaalsContact C-N 3.34Å; S341-I343 PolarHBondContact O-N 2.85Å; S341-Y344 WeakPolarHBondContact O-CB 3.28Å; S341-Y344 PolarHBondContact O-N 2.95Å; S341-T345 PolarHBondContact O-N 3.22Å; S341-T345 PolarHBondContact O-OG1 2.89Å; S341-T345 VanDerWaalsContact O-OG1 3.08Å; S341-I413 WeakPolarHBondContact OG-CD1 3.37Å
342R80.9Confident87Confident135 Ų13551.6 Ų51.651%0.50925%0.253SS..Hα-helixtrans-60.9-41.2175.2-77178.1167.8-172.8-4.8112.6R338 V339 K346R338-R342 WeakPolarHBondContact O-CG 3.35Å; R338-R342 PolarHBondContact O-N 2.88Å; V339-R342 PolarHBondContact O-N 2.74Å; R342-K346 WeakPolarHBondContact O-CB 3.43Å; R342-K346 WeakPolarHBondContact O-CG 3.42Å; R342-K346 PolarHBondContact O-N 3.2Å
343I88.5Confident86.3Confident23 Ų2355.7 Ų55.712%0.11830%0.296CS..Hα-helixtrans-63.6-44175.7-68.5167.5000110.5V339 L340 S341 Y347 L391 L395 M417V339-I343 HydrophobicContact CG1-CD1 4.04Å; V339-I343 WeakPolarHBondContact O-CG1 3.28Å; V339-I343 PolarHBondContact O-N 3.3Å; L340-I343 PolarHBondContact O-N 3.16Å; S341-I343 VanDerWaalsContact C-N 3.34Å; S341-I343 PolarHBondContact O-N 2.85Å; I343-Y347 WeakPolarHBondContact O-CB 3.44Å; I343-Y347 PolarHBondContact O-N 2.68Å; I343-L391 HydrophobicContact CG2-CD1 3.58Å; I343-L395 HydrophobicContact CD1-CD2 4.35Å; I343-M417 HydrophobicContact CB-CE 4.07Å; I343-M417 HydrophobicContact CG2-CE 3.92Å
344Y89.5Confident86Confident31 Ų3157.2 Ų57.212%0.12231%0.307CS..Hα-helixtrans-57.8-55.3176.7178.7-93.2000111.5L340 S341 K346 Y347 Y348 E412 I413 F416L340-Y344 WeakPolarHBondContact O-CB 3.43Å; L340-Y344 PolarHBondContact O-N 3.26Å; S341-Y344 WeakPolarHBondContact O-CB 3.28Å; S341-Y344 PolarHBondContact O-N 2.95Å; Y344-K346 PolarHBondContact O-N 3.46Å; Y344-Y347 WeakPolarHBondContact O-CB 3.48Å; Y344-Y347 PolarHBondContact O-N 3.4Å; Y344-Y348 HydrophobicContact CD1-CD2 4.35Å; Y344-Y348 HydrophobicContact CD2-CD2 4.15Å; Y344-Y348 AromaticContact CD2-CE2 3.99Å; Y344-Y348 HydrophobicContact CD2-CE2 3.99Å; Y344-Y348 AromaticContact CE1-CD2 3.96Å; Y344-Y348 HydrophobicContact CE1-CD2 3.96Å; Y344-Y348 HydrophobicContact CE1-CE2 4.24Å; Y344-Y348 AromaticContact CE2-CD2 3.73Å; Y344-Y348 HydrophobicContact CE2-CD2 3.73Å; Y344-Y348 AromaticContact CE2-CE2 3.28Å; Y344-Y348 HydrophobicContact CE2-CE2 3.28Å; Y344-Y348 HydrophobicContact CG-CD2 4.42Å; Y344-Y348 AromaticContact CZ-CD2 3.6Å; Y344-Y348 AromaticContact CZ-CE2 3.41Å; Y344-Y348 VanDerWaalsContact CZ-CE2 3.41Å; Y344-Y348 PolarHBondContact O-N 3.25Å; Y344-Y348 VanDerWaalsContact O-N 3.11Å; Y344-Y348 WeakPolarHBondContact OH-CE2 3.27Å; Y344-E412 HydrophobicContact CE2-CG 4.3Å; Y344-E412 PolarHBondContact OH-OE1 3.05Å; Y344-I413 HydrophobicContact CD1-CG1 4.42Å; Y344-I413 HydrophobicContact CD2-CG1 4.38Å; Y344-I413 HydrophobicContact CG-CG1 4.14Å; Y344-F416 HydrophobicContact CD2-CB 3.76Å; Y344-F416 AromaticContact CD2-CD1 3.61Å; Y344-F416 HydrophobicContact CD2-CD1 3.61Å; Y344-F416 HydrophobicContact CD2-CD2 4.02Å; Y344-F416 HydrophobicContact CD2-CE1 4.16Å; Y344-F416 AromaticContact CD2-CG 3.52Å; Y344-F416 HydrophobicContact CD2-CG 3.52Å; Y344-F416 HydrophobicContact CE2-CB 3.73Å; Y344-F416 HydrophobicContact CE2-CD1 4.31Å; Y344-F416 AromaticContact CE2-CD2 3.95Å; Y344-F416 HydrophobicContact CE2-CD2 3.95Å; Y344-F416 AromaticContact CE2-CG 3.75Å; Y344-F416 HydrophobicContact CE2-CG 3.75Å
345T83.5Confident85.8Confident70 Ų7060.4 Ų60.443%0.42933%0.334SS..Hα-helixtrans-58-52.1-179.5-57.60000111.2S341 Y347 Y348 E349S341-T345 PolarHBondContact O-N 3.22Å; S341-T345 PolarHBondContact O-OG1 2.89Å; S341-T345 VanDerWaalsContact O-OG1 3.08Å; T345-Y347 VanDerWaalsContact C-N 3.26Å; T345-Y347 PolarHBondContact O-N 3.46Å; T345-Y348 PolarHBondContact O-N 3.11Å; T345-E349 HydrophobicContact CG2-CG 4.35Å; T345-E349 WeakPolarHBondContact CG2-OE1 3.45Å; T345-E349 WeakPolarHBondContact O-CG 3.48Å; T345-E349 PolarHBondContact O-N 2.93Å
346K86.7Confident85.8Confident143 Ų14366.9 Ų66.962%0.62237%0.368SS*.Hα-helixtrans-59.7-33.9178.5-76.1-167.9171.9-169.70113.7R342 Y344 A350R342-K346 WeakPolarHBondContact O-CB 3.43Å; R342-K346 WeakPolarHBondContact O-CG 3.42Å; R342-K346 PolarHBondContact O-N 3.2Å; Y344-K346 PolarHBondContact O-N 3.46Å; K346-A350 WeakPolarHBondContact O-CB 3.24Å; K346-A350 PolarHBondContact O-N 2.76Å; K346-A350 VanDerWaalsContact O-N 3.17Å
347Y92.9Very high86.1Confident29 Ų2970.2 Ų70.211%0.11438%0.379CS..Hα-helixtrans-67.1-43.2176.4179.7-90.9000111.4I343 Y344 T345 A350 I351 V361 C387 F388 L391 F416I343-Y347 WeakPolarHBondContact O-CB 3.44Å; I343-Y347 PolarHBondContact O-N 2.68Å; Y344-Y347 WeakPolarHBondContact O-CB 3.48Å; Y344-Y347 PolarHBondContact O-N 3.4Å; T345-Y347 VanDerWaalsContact C-N 3.26Å; T345-Y347 PolarHBondContact O-N 3.46Å; Y347-A350 PolarHBondContact O-N 3.3Å; Y347-I351 HydrophobicContact CD1-CD1 4.44Å; Y347-I351 HydrophobicContact CE1-CD1 4Å; Y347-V361 HydrophobicContact CE1-CG1 3.94Å; Y347-V361 HydrophobicContact CE1-CG2 4.34Å; Y347-V361 WeakPolarHBondContact OH-CG2 3.23Å; Y347-C387 PolarHBondContact OH-O 2.9Å; Y347-F388 HydrophobicContact CE2-CD1 4.44Å; Y347-F388 WeakPolarHBondContact OH-CD1 3.38Å; Y347-L391 HydrophobicContact CD2-CB 4.03Å; Y347-L391 HydrophobicContact CD2-CD2 3.77Å; Y347-L391 HydrophobicContact CD2-CG 4.38Å; Y347-L391 HydrophobicContact CE2-CB 4.12Å; Y347-L391 HydrophobicContact CE2-CD2 4.16Å; Y347-L391 HydrophobicContact CG-CD2 4.29Å; Y347-F416 AromaticContact CD1-CE2 3.63Å; Y347-F416 HydrophobicContact CD1-CE2 3.63Å; Y347-F416 AromaticContact CD1-CZ 3.58Å; Y347-F416 HydrophobicContact CD1-CZ 3.58Å; Y347-F416 HydrophobicContact CD2-CZ 4.38Å; Y347-F416 AromaticContact CE1-CE2 3.81Å; Y347-F416 HydrophobicContact CE1-CE2 3.81Å; Y347-F416 HydrophobicContact CE1-CZ 4.06Å; Y347-F416 HydrophobicContact CG-CE2 4.28Å; Y347-F416 AromaticContact CG-CZ 3.75Å; Y347-F416 HydrophobicContact CG-CZ 3.75Å
348Y89.4Confident86.6Confident43 Ų4371.3 Ų71.317%0.16939%0.385CS..Hα-helixtrans-70.8-40.7179-87.5-85.2000112.5Y344 T345 A350 I351 E352 T358 N362 I365 F416Y344-Y348 HydrophobicContact CD1-CD2 4.35Å; Y344-Y348 HydrophobicContact CD2-CD2 4.15Å; Y344-Y348 AromaticContact CD2-CE2 3.99Å; Y344-Y348 HydrophobicContact CD2-CE2 3.99Å; Y344-Y348 AromaticContact CE1-CD2 3.96Å; Y344-Y348 HydrophobicContact CE1-CD2 3.96Å; Y344-Y348 HydrophobicContact CE1-CE2 4.24Å; Y344-Y348 AromaticContact CE2-CD2 3.73Å; Y344-Y348 HydrophobicContact CE2-CD2 3.73Å; Y344-Y348 AromaticContact CE2-CE2 3.28Å; Y344-Y348 HydrophobicContact CE2-CE2 3.28Å; Y344-Y348 HydrophobicContact CG-CD2 4.42Å; Y344-Y348 AromaticContact CZ-CD2 3.6Å; Y344-Y348 AromaticContact CZ-CE2 3.41Å; Y344-Y348 VanDerWaalsContact CZ-CE2 3.41Å; Y344-Y348 PolarHBondContact O-N 3.25Å; Y344-Y348 VanDerWaalsContact O-N 3.11Å; Y344-Y348 WeakPolarHBondContact OH-CE2 3.27Å; T345-Y348 PolarHBondContact O-N 3.11Å; Y348-A350 VanDerWaalsContact C-N 3.27Å; Y348-A350 PolarHBondContact O-N 2.86Å; Y348-I351 HydrophobicContact CD1-CD1 3.97Å; Y348-I351 HydrophobicContact CD1-CG1 4.36Å; Y348-I351 HydrophobicContact CE1-CD1 4.18Å; Y348-I351 CarbonylContact O-C 3.41Å; Y348-I351 WeakPolarHBondContact O-CG1 3.43Å; Y348-I351 PolarHBondContact O-N 3.15Å; Y348-E352 WeakPolarHBondContact O-CB 3.31Å; Y348-E352 PolarHBondContact O-N 3.36Å; Y348-T358 HydrophobicContact CE1-CG2 4.48Å; Y348-N362 PolarHBondContact OH-OD1 2.81Å; Y348-I365 WeakPolarHBondContact OH-CD1 3.43Å; Y348-F416 AromaticContact CE2-CD2 3.92Å; Y348-F416 HydrophobicContact CE2-CD2 3.92Å; Y348-F416 AromaticContact CE2-CE2 3.9Å; Y348-F416 HydrophobicContact CE2-CE2 3.9Å
349E88.7Confident87.3Confident103 Ų10374.3 Ų74.348%0.48140%0.397SS..Hα-helixtrans-53.8-44.6171-72.4168.7179.300111.2T345 I351 E352T345-E349 HydrophobicContact CG2-CG 4.35Å; T345-E349 WeakPolarHBondContact CG2-OE1 3.45Å; T345-E349 WeakPolarHBondContact O-CG 3.48Å; T345-E349 PolarHBondContact O-N 2.93Å; E349-I351 PolarHBondContact O-N 3.48Å; E349-I351 VanDerWaalsContact O-N 3.1Å; E349-E352 PolarHBondContact O-N 3.44Å
350A88.6Confident87.8Confident80 Ų8075.7 Ų75.766%0.66140%0.403SS*.THydrogen-bonded Turntrans-65.7-14.118000000114.4K346 Y347 Y348K346-A350 WeakPolarHBondContact O-CB 3.24Å; K346-A350 PolarHBondContact O-N 2.76Å; K346-A350 VanDerWaalsContact O-N 3.17Å; Y347-A350 PolarHBondContact O-N 3.3Å; Y348-A350 VanDerWaalsContact C-N 3.27Å; Y348-A350 PolarHBondContact O-N 2.86Å
351I90.2Very high88.2Confident20 Ų2075.9 Ų75.910%0.10340%0.404CS..THydrogen-bonded Turntrans-116.2-6.4177.366.6172.8000113.7Y347 Y348 E349 G353 S354 K357 V361Y347-I351 HydrophobicContact CD1-CD1 4.44Å; Y347-I351 HydrophobicContact CE1-CD1 4Å; Y348-I351 HydrophobicContact CD1-CD1 3.97Å; Y348-I351 HydrophobicContact CD1-CG1 4.36Å; Y348-I351 HydrophobicContact CE1-CD1 4.18Å; Y348-I351 CarbonylContact O-C 3.41Å; Y348-I351 WeakPolarHBondContact O-CG1 3.43Å; Y348-I351 PolarHBondContact O-N 3.15Å; E349-I351 PolarHBondContact O-N 3.48Å; E349-I351 VanDerWaalsContact O-N 3.1Å; I351-G353 PolarHBondContact O-N 3.42Å; I351-G353 VanDerWaalsContact O-N 3.12Å; I351-S354 PolarHBondContact O-N 2.86Å; I351-K357 HydrophobicContact CB-CB 4.37Å; I351-V361 HydrophobicContact CD1-CB 4.26Å; I351-V361 HydrophobicContact CD1-CG1 4.33Å; I351-V361 HydrophobicContact CD1-CG2 4Å
352E80Confident88.7Confident146 Ų14677.7 Ų77.768%0.68241%0.411SS*.THydrogen-bonded Turntrans-58.2-30.1-168.9-168.2165.2-17700113.6Y348 E349 S354Y348-E352 WeakPolarHBondContact O-CB 3.31Å; Y348-E352 PolarHBondContact O-N 3.36Å; E349-E352 PolarHBondContact O-N 3.44Å; E352-S354 VanDerWaalsContact C-N 3.27Å; E352-S354 PolarHBondContact O-N 2.74Å
353G80.2Confident89.3Confident90 Ų9076.8 Ų76.893%0.92841%0.412SS*.THydrogen-bonded Turntrans-75.81.8175.800000116.2I351I351-G353 PolarHBondContact O-N 3.42Å; I351-G353 VanDerWaalsContact O-N 3.12Å
354S87.4Confident89.5Confident34 Ų3475.7 Ų75.724%0.23841%0.406CS..  trans-134.695.2-177.7-174.70000112.3I351 E352 L356 K357 T358I351-S354 PolarHBondContact O-N 2.86Å; E352-S354 VanDerWaalsContact C-N 3.27Å; E352-S354 PolarHBondContact O-N 2.74Å; S354-L356 PolarHBondContact O-N 3.02Å; S354-K357 PolarHBondContact O-N 3.19Å; S354-K357 WeakPolarHBondContact OG-CG 3.3Å; S354-K357 PolarHBondContact OG-N 3.49Å; S354-T358 PolarHBondContact O-N 3.07Å; S354-T358 PolarHBondContact O-OG1 2.8Å
355A89.2Confident89.7Confident70 Ų7075 Ų7558%0.57941%0.405SS*.Hα-helixtrans-52.4-33.2176.300000113R359A355-R359 VanDerWaalsContact O-CB 3.31Å; A355-R359 WeakPolarHBondContact O-CB 3.28Å; A355-R359 VanDerWaalsContact O-CG 3.23Å; A355-R359 WeakPolarHBondContact O-CG 3.41Å; A355-R359 PolarHBondContact O-N 3.32Å
356L91.7Very high90.2Very high136 Ų13679.4 Ų79.471%0.71242%0.418SS*.Hα-helixtrans-68.8-43.5175.8-170.3124.8000112.2S354 L360S354-L356 PolarHBondContact O-N 3.02Å; L356-L360 VanDerWaalsContact O-CB 3.31Å; L356-L360 WeakPolarHBondContact O-CB 3.28Å; L356-L360 PolarHBondContact O-N 3.41Å
357K90.9Very high90.4Very high114 Ų11476.1 Ų76.150%0.49641%0.405SS..Hα-helixtrans-63.5-46.3174.3-69.7178.9-170.7170.60111.1I351 S354 R359 L360 V361I351-K357 HydrophobicContact CB-CB 4.37Å; S354-K357 PolarHBondContact O-N 3.19Å; S354-K357 WeakPolarHBondContact OG-CG 3.3Å; S354-K357 PolarHBondContact OG-N 3.49Å; K357-R359 PolarHBondContact O-N 2.8Å; K357-L360 WeakPolarHBondContact O-CB 3.2Å; K357-L360 PolarHBondContact O-N 3.49Å; K357-V361 WeakPolarHBondContact O-CB 3.1Å; K357-V361 WeakPolarHBondContact O-CG2 3.5Å; K357-V361 PolarHBondContact O-N 2.9Å
358T91.8Very high90.3Very high36 Ų3674.8 Ų74.822%0.22140%0.399CS..Hα-helixtrans-61.8-44.7179.4-53.30000111.8Y348 S354 L360 V361 N362Y348-T358 HydrophobicContact CE1-CG2 4.48Å; S354-T358 PolarHBondContact O-N 3.07Å; S354-T358 PolarHBondContact O-OG1 2.8Å; T358-L360 PolarHBondContact O-N 2.75Å; T358-V361 PolarHBondContact O-N 3.46Å; T358-N362 WeakPolarHBondContact O-CB 3.39Å; T358-N362 VanDerWaalsContact O-CG 3.26Å; T358-N362 PolarHBondContact O-N 3.12Å; T358-N362 PolarHBondContact O-ND2 3.3Å
359R92.3Very high90.4Very high197 Ų19774.1 Ų74.174%0.74340%0.399SS*.Hα-helixtrans-61.5-42.4174.3-76.9177.7-179-179.51.7112.1A355 K357 H363A355-R359 VanDerWaalsContact O-CB 3.31Å; A355-R359 WeakPolarHBondContact O-CB 3.28Å; A355-R359 VanDerWaalsContact O-CG 3.23Å; A355-R359 WeakPolarHBondContact O-CG 3.41Å; A355-R359 PolarHBondContact O-N 3.32Å; K357-R359 PolarHBondContact O-N 2.8Å; R359-H363 VanDerWaalsContact O-CB 3.28Å; R359-H363 WeakPolarHBondContact O-CB 3.44Å; R359-H363 PolarHBondContact O-N 3.39Å
360L93.2Very high90.5Very high51 Ų5170.6 Ų70.627%0.26739%0.39SS..Hα-helixtrans-62.8-49.5177.7178.963.8000111.5L356 K357 T358 N362 H363 V364 L383L356-L360 VanDerWaalsContact O-CB 3.31Å; L356-L360 WeakPolarHBondContact O-CB 3.28Å; L356-L360 PolarHBondContact O-N 3.41Å; K357-L360 WeakPolarHBondContact O-CB 3.2Å; K357-L360 PolarHBondContact O-N 3.49Å; T358-L360 PolarHBondContact O-N 2.75Å; L360-N362 PolarHBondContact O-N 3.43Å; L360-H363 WeakPolarHBondContact O-CB 3.34Å; L360-H363 PolarHBondContact O-N 3.38Å; L360-V364 HydrophobicContact CD1-CG2 4.36Å; L360-V364 WeakPolarHBondContact O-CG2 3.5Å; L360-V364 PolarHBondContact O-N 3.34Å; L360-L383 HydrophobicContact CD1-CD1 4.37Å; L360-L383 HydrophobicContact CD1-CD2 4.22Å
361V94.2Very high90.6Very high5 Ų568 Ų683%0.0336%0.364CS..Hα-helixtrans-56.8-51.2177.3164.90000110.6Y347 I351 K357 T358 H363 V364 I365 C387 F388Y347-V361 HydrophobicContact CE1-CG1 3.94Å; Y347-V361 HydrophobicContact CE1-CG2 4.34Å; Y347-V361 WeakPolarHBondContact OH-CG2 3.23Å; I351-V361 HydrophobicContact CD1-CB 4.26Å; I351-V361 HydrophobicContact CD1-CG1 4.33Å; I351-V361 HydrophobicContact CD1-CG2 4Å; K357-V361 WeakPolarHBondContact O-CB 3.1Å; K357-V361 WeakPolarHBondContact O-CG2 3.5Å; K357-V361 PolarHBondContact O-N 2.9Å; T358-V361 PolarHBondContact O-N 3.46Å; V361-H363 VanDerWaalsContact C-N 3.28Å; V361-H363 PolarHBondContact O-N 2.85Å; V361-V364 PolarHBondContact O-N 2.92Å; V361-V364 VanDerWaalsContact O-N 3.15Å; V361-I365 HydrophobicContact CG1-CD1 3.74Å; V361-I365 HydrophobicContact CG1-CG1 4.42Å; V361-I365 WeakPolarHBondContact O-CG1 3.49Å; V361-I365 PolarHBondContact O-N 3.16Å; V361-C387 HydrophobicContact CG2-CB 4.28Å; V361-F388 HydrophobicContact CG1-CE1 4.28Å
362N93.4Very high90.6Very high75 Ų7567.1 Ų67.140%0.40136%0.36SS..Hα-helixtrans-63.3-35.7-179.5-70.3-14.7000112Y348 T358 L360 K366Y348-N362 PolarHBondContact OH-OD1 2.81Å; T358-N362 WeakPolarHBondContact O-CB 3.39Å; T358-N362 VanDerWaalsContact O-CG 3.26Å; T358-N362 PolarHBondContact O-N 3.12Å; T358-N362 PolarHBondContact O-ND2 3.3Å; L360-N362 PolarHBondContact O-N 3.43Å; N362-K366 WeakPolarHBondContact O-CB 3.49Å; N362-K366 PolarHBondContact O-N 3.44Å
363H93.4Very high91Very high116 Ų11666.5 Ų66.554%0.53736%0.355SS..Hα-helixtrans-63.3-47.5173.1-179.981.9000111.8R359 L360 V361 K366 Q367R359-H363 VanDerWaalsContact O-CB 3.28Å; R359-H363 WeakPolarHBondContact O-CB 3.44Å; R359-H363 PolarHBondContact O-N 3.39Å; L360-H363 WeakPolarHBondContact O-CB 3.34Å; L360-H363 PolarHBondContact O-N 3.38Å; V361-H363 VanDerWaalsContact C-N 3.28Å; V361-H363 PolarHBondContact O-N 2.85Å; H363-K366 PolarHBondContact O-N 3.23Å; H363-Q367 PolarHBondContact O-N 3.01Å
364V93.2Very high91.4Very high0 Ų069.6 Ų69.60%034%0.338CS..Hα-helixtrans-62.6-43.6177.6175.30000110.8L360 V361 K366 Q367 K368 L383 D384 F388L360-V364 HydrophobicContact CD1-CG2 4.36Å; L360-V364 WeakPolarHBondContact O-CG2 3.5Å; L360-V364 PolarHBondContact O-N 3.34Å; V361-V364 PolarHBondContact O-N 2.92Å; V361-V364 VanDerWaalsContact O-N 3.15Å; V364-K366 PolarHBondContact O-N 2.9Å; V364-Q367 WeakPolarHBondContact O-CB 3.32Å; V364-Q367 PolarHBondContact O-N 3.2Å; V364-K368 HydrophobicContact CG1-CG 4.29Å; V364-K368 VanDerWaalsContact O-CG 3.24Å; V364-K368 WeakPolarHBondContact O-CG 3.48Å; V364-K368 PolarHBondContact O-N 3.08Å; V364-L383 HydrophobicContact CG2-CB 3.99Å; V364-D384 HydrophobicContact CG1-CB 4.47Å; V364-F388 HydrophobicContact CG1-CE2 3.66Å; V364-F388 HydrophobicContact CG1-CZ 4.13Å
365I93.2Very high91.3Very high17 Ų1769.2 Ų69.29%0.08734%0.34CS..Hα-helixtrans-58.3-50.3175.7-68.8168.8000110.6Y348 V361 Q367 K368 L369 F388 F416 A419Y348-I365 WeakPolarHBondContact OH-CD1 3.43Å; V361-I365 HydrophobicContact CG1-CD1 3.74Å; V361-I365 HydrophobicContact CG1-CG1 4.42Å; V361-I365 WeakPolarHBondContact O-CG1 3.49Å; V361-I365 PolarHBondContact O-N 3.16Å; I365-Q367 VanDerWaalsContact C-N 3.28Å; I365-Q367 PolarHBondContact O-N 2.87Å; I365-K368 PolarHBondContact O-N 2.84Å; I365-K368 VanDerWaalsContact O-N 3.14Å; I365-L369 HydrophobicContact CG2-CD1 3.79Å; I365-L369 HydrophobicContact CG2-CG 4.28Å; I365-L369 WeakPolarHBondContact O-CG 3.33Å; I365-L369 PolarHBondContact O-N 3.46Å; I365-F388 HydrophobicContact CG1-CZ 3.9Å; I365-F416 HydrophobicContact CD1-CD2 3.71Å; I365-F416 HydrophobicContact CD1-CE2 4.28Å; I365-A419 HydrophobicContact CB-CB 4.27Å; I365-A419 HydrophobicContact CG1-CB 4.1Å; I365-A419 HydrophobicContact CG2-CB 4.01Å
366K93.1Very high91.2Very high163 Ų16371.4 Ų71.471%0.70934%0.337SS*.Hα-helixtrans-58.7-41.6179-175.1176.9-179.81780111.7N362 H363 V364 G370N362-K366 WeakPolarHBondContact O-CB 3.49Å; N362-K366 PolarHBondContact O-N 3.44Å; H363-K366 PolarHBondContact O-N 3.23Å; V364-K366 PolarHBondContact O-N 2.9Å; K366-G370 PolarHBondContact O-N 3.33Å; K366-G370 VanDerWaalsContact O-N 3.12Å
367Q92.2Very high90.9Very high74 Ų7465 Ų6535%0.34630%0.303SS..Hα-helixtrans-60.5-50174.5-177.6-173.4-900111.2H363 V364 I365 L369 G370 E371H363-Q367 PolarHBondContact O-N 3.01Å; V364-Q367 WeakPolarHBondContact O-CB 3.32Å; V364-Q367 PolarHBondContact O-N 3.2Å; I365-Q367 VanDerWaalsContact C-N 3.28Å; I365-Q367 PolarHBondContact O-N 2.87Å; Q367-L369 PolarHBondContact O-N 2.93Å; Q367-G370 CarbonylContact O-C 3.59Å; Q367-G370 PolarHBondContact O-N 2.93Å; Q367-G370 VanDerWaalsContact O-N 3.13Å; Q367-E371 PolarHBondContact NE2-OE1 2.68Å; Q367-E371 WeakPolarHBondContact O-CG 3.28Å; Q367-E371 PolarHBondContact O-N 2.89Å
368K91Very high90.3Very high0 Ų062.8 Ų62.80%030%0.297CS..Hα-helixtrans-59-45.9-179.4-70.1-76.5157.8-111.50112V364 I365 G370 E371 Q372 H379 D384 A419V364-K368 HydrophobicContact CG1-CG 4.29Å; V364-K368 VanDerWaalsContact O-CG 3.24Å; V364-K368 WeakPolarHBondContact O-CG 3.48Å; V364-K368 PolarHBondContact O-N 3.08Å; I365-K368 PolarHBondContact O-N 2.84Å; I365-K368 VanDerWaalsContact O-N 3.14Å; K368-G370 VanDerWaalsContact C-N 3.29Å; K368-G370 PolarHBondContact O-N 3.39Å; K368-E371 IonicContact NZ-OE2 3.31Å; K368-E371 PolarHBondContact NZ-OE2 2.89Å; K368-E371 WeakPolarHBondContact O-CB 3.32Å; K368-E371 PolarHBondContact O-N 2.92Å; K368-E371 VanDerWaalsContact O-N 3.1Å; K368-Q372 VanDerWaalsContact O-CG 3.31Å; K368-Q372 WeakPolarHBondContact O-CG 3.5Å; K368-Q372 PolarHBondContact O-N 3.23Å; K368-H379 HydrophobicContact CD-CB 4.31Å; K368-H379 PolarHBondContact NZ-CD2 3.22Å; K368-H379 PolarHBondContact NZ-ND1 2.61Å; K368-H379 VanDerWaalsContact NZ-ND1 3.18Å; K368-D384 WeakPolarHBondContact CE-OD1 3.42Å; K368-A419 HydrophobicContact CB-CB 3.84Å; K368-A419 HydrophobicContact CG-CB 4.37Å
369L90.9Very high88.9Confident30 Ų3062.4 Ų62.416%0.15729%0.292CS..Hα-helixtrans-63-36.5177.4-64.6171.8000111.8I365 Q367 K373 Q415I365-L369 HydrophobicContact CG2-CD1 3.79Å; I365-L369 HydrophobicContact CG2-CG 4.28Å; I365-L369 WeakPolarHBondContact O-CG 3.33Å; I365-L369 PolarHBondContact O-N 3.46Å; Q367-L369 PolarHBondContact O-N 2.93Å; L369-K373 WeakPolarHBondContact O-CG 3.4Å; L369-K373 PolarHBondContact O-N 2.69Å; L369-K373 VanDerWaalsContact O-N 3.09Å; L369-Q415 HydrophobicContact CD1-CB 3.92Å; L369-Q415 HydrophobicContact CD1-CG 4.05Å; L369-Q415 HydrophobicContact CD2-CB 4.11Å; L369-Q415 HydrophobicContact CD2-CG 4.19Å
370G91.5Very high87.6Confident29 Ų2959.1 Ų59.130%0.29929%0.286SS..Hα-helixtrans-70.4-27.2173.500000114.3K366 Q367 K368 R374K366-G370 PolarHBondContact O-N 3.33Å; K366-G370 VanDerWaalsContact O-N 3.12Å; Q367-G370 CarbonylContact O-C 3.59Å; Q367-G370 PolarHBondContact O-N 2.93Å; Q367-G370 VanDerWaalsContact O-N 3.13Å; K368-G370 VanDerWaalsContact C-N 3.29Å; K368-G370 PolarHBondContact O-N 3.39Å; G370-R374 PolarHBondContact O-NE 3.2Å
371E89.6Confident87Confident24 Ų2458.5 Ų58.511%0.11229%0.285CS..Hα-helixtrans-71.5-46.6171.1-70.4165.2156.500111Q367 K368 K373 R374 G375 K376 H379Q367-E371 PolarHBondContact NE2-OE1 2.68Å; Q367-E371 WeakPolarHBondContact O-CG 3.28Å; Q367-E371 PolarHBondContact O-N 2.89Å; K368-E371 IonicContact NZ-OE2 3.31Å; K368-E371 PolarHBondContact NZ-OE2 2.89Å; K368-E371 WeakPolarHBondContact O-CB 3.32Å; K368-E371 PolarHBondContact O-N 2.92Å; K368-E371 VanDerWaalsContact O-N 3.1Å; E371-K373 PolarHBondContact O-N 3.23Å; E371-R374 VanDerWaalsContact CG-NH2 3.27Å; E371-R374 CarbonylContact O-C 3.51Å; E371-R374 WeakPolarHBondContact O-CA 3.2Å; E371-R374 WeakPolarHBondContact O-CB 3.46Å; E371-R374 PolarHBondContact O-N 2.99Å; E371-G375 PolarHBondContact O-N 3.12Å; E371-K376 CarbonylContact C-O 3.31Å; E371-K376 VanDerWaalsContact C-O 3.31Å; E371-K376 HydrophobicContact CB-CB 4.21Å; E371-K376 WeakPolarHBondContact O-CB 3.21Å; E371-K376 PolarHBondContact O-N 3.03Å; E371-H379 IonicContact OE1-CE1 3.8Å; E371-H379 IonicContact OE1-ND1 2.75Å; E371-H379 IonicContact OE2-CD2 3.81Å; E371-H379 IonicContact OE2-CE1 2.68Å; E371-H379 PolarHBondContact OE2-CE1 3.38Å; E371-H379 IonicContact OE2-CG 3.89Å; E371-H379 IonicContact OE2-ND1 3.72Å; E371-H379 PolarHBondContact OE2-ND1 2.85Å; E371-H379 IonicContact OE2-NE2 2.76Å; E371-H379 PolarHBondContact OE2-NE2 3.12Å
372Q89.7Confident86.5Confident2 Ų265.7 Ų65.71%0.00932%0.323CS..Hα-helixtrans-62.7-39.4179.2-69.5173.7-5.700112.8K368 R374 G375 K376 F377 R418K368-Q372 VanDerWaalsContact O-CG 3.31Å; K368-Q372 WeakPolarHBondContact O-CG 3.5Å; K368-Q372 PolarHBondContact O-N 3.23Å; Q372-R374 PolarHBondContact O-N 2.92Å; Q372-R374 VanDerWaalsContact O-N 3.1Å; Q372-G375 PolarHBondContact O-N 3.19Å; Q372-K376 WeakPolarHBondContact CA-O 3.34Å; Q372-K376 PolarHBondContact N-O 3.12Å; Q372-F377 HydrophobicContact CB-CD1 4.49Å; Q372-F377 HydrophobicContact CB-CE1 3.9Å; Q372-F377 HydrophobicContact CB-CZ 4.11Å; Q372-F377 HydrophobicContact CG-CD1 3.81Å; Q372-F377 HydrophobicContact CG-CE1 3.65Å; Q372-F377 HydrophobicContact CG-CZ 4.3Å; Q372-R418 PolarHBondContact NE2-O 2.92Å
373K89Confident86.3Confident134 Ų13465.5 Ų65.558%0.58332%0.322SS*.THydrogen-bonded Turntrans-55.8-24.7171.1-79.2179.1177.7-170.70113.8L369 E371 F446L369-K373 WeakPolarHBondContact O-CG 3.4Å; L369-K373 PolarHBondContact O-N 2.69Å; L369-K373 VanDerWaalsContact O-N 3.09Å; E371-K373 PolarHBondContact O-N 3.23Å; K373-F446 HydrophobicContact CB-CD2 4.35Å; K373-F446 HydrophobicContact CD-CD2 4.48Å; K373-F446 HydrophobicContact CG-CB 4.37Å; K373-F446 HydrophobicContact CG-CD2 3.51Å; K373-F446 HydrophobicContact CG-CE2 3.97Å; K373-F446 HydrophobicContact CG-CG 4.03Å
374R88.3Confident86.1Confident154 Ų15460 Ų6058%0.58130%0.296SS*.THydrogen-bonded Turntrans-99.714.3177.3-65.6175.9-70.1136.3-3.2112.5G370 E371 Q372 K376G370-R374 PolarHBondContact O-NE 3.2Å; E371-R374 VanDerWaalsContact CG-NH2 3.27Å; E371-R374 CarbonylContact O-C 3.51Å; E371-R374 WeakPolarHBondContact O-CA 3.2Å; E371-R374 WeakPolarHBondContact O-CB 3.46Å; E371-R374 PolarHBondContact O-N 2.99Å; Q372-R374 PolarHBondContact O-N 2.92Å; Q372-R374 VanDerWaalsContact O-N 3.1Å; R374-K376 VanDerWaalsContact C-N 3.32Å; R374-K376 PolarHBondContact O-N 3.37Å
375G86.1Confident85.9Confident27 Ų2762.8 Ų62.828%0.27831%0.313SS..THydrogen-bonded Turntrans77.211.2-179.400000114.8E371 Q372 F377E371-G375 PolarHBondContact O-N 3.12Å; Q372-G375 PolarHBondContact O-N 3.19Å; G375-F377 WeakPolarHBondContact O-CD2 3.4Å
376K86Confident85.7Confident115 Ų11568 Ų6850%0.534%0.341SS..  trans-99.2117.9-178.1-61.1-172.3178.3-168.10110.9E371 Q372 R374 H379E371-K376 CarbonylContact C-O 3.31Å; E371-K376 VanDerWaalsContact C-O 3.31Å; E371-K376 HydrophobicContact CB-CB 4.21Å; E371-K376 WeakPolarHBondContact O-CB 3.21Å; E371-K376 PolarHBondContact O-N 3.03Å; Q372-K376 WeakPolarHBondContact CA-O 3.34Å; Q372-K376 PolarHBondContact N-O 3.12Å; R374-K376 VanDerWaalsContact C-N 3.32Å; R374-K376 PolarHBondContact O-N 3.37Å; K376-H379 PolarHBondContact O-NE2 3.45Å
377F85.5Confident85.7Confident2 Ų261 Ų611%0.00931%0.312CS..  trans-119-9.1-177.2-65.2-90.6000113.6P12 Y27 V28 Q372 G375 N422 G444P12-F377 HydrophobicContact CG-CB 3.87Å; Y27-F377 HydrophobicContact CD1-CB 3.93Å; Y27-F377 AromaticContact CD1-CD2 3.77Å; Y27-F377 HydrophobicContact CD1-CD2 3.77Å; Y27-F377 AromaticContact CD1-CG 3.89Å; Y27-F377 HydrophobicContact CD1-CG 3.89Å; Y27-F377 HydrophobicContact CE1-CB 3.54Å; Y27-F377 HydrophobicContact CE1-CD1 4.02Å; Y27-F377 AromaticContact CE1-CD2 3.87Å; Y27-F377 HydrophobicContact CE1-CD2 3.87Å; Y27-F377 AromaticContact CE1-CG 3.52Å; Y27-F377 HydrophobicContact CE1-CG 3.52Å; V28-F377 HydrophobicContact CG2-CD2 3.89Å; V28-F377 HydrophobicContact CG2-CE2 3.4Å; V28-F377 VanDerWaalsContact CG2-CE2 3.4Å; V28-F377 HydrophobicContact CG2-CZ 4.38Å; Q372-F377 HydrophobicContact CB-CD1 4.49Å; Q372-F377 HydrophobicContact CB-CE1 3.9Å; Q372-F377 HydrophobicContact CB-CZ 4.11Å; Q372-F377 HydrophobicContact CG-CD1 3.81Å; Q372-F377 HydrophobicContact CG-CE1 3.65Å; Q372-F377 HydrophobicContact CG-CZ 4.3Å; G375-F377 WeakPolarHBondContact O-CD2 3.4Å; F377-N422 WeakPolarHBondContact CD1-O 3.45Å; F377-N422 WeakPolarHBondContact O-CB 3.22Å; F377-G444 VanDerWaalsContact CZ-CA 3.42Å
378N78.3Confident85.7Confident67 Ų6757.5 Ų57.536%0.35830%0.296SS..  trans-93.3120.6-177.6-171.66.8000112.3Y11 H13Y11-N378 PolarHBondContact O-ND2 2.97Å; H13-N378 WeakPolarHBondContact CB-OD1 3.43Å; H13-N378 VanDerWaalsContact N-CG 3.31Å; H13-N378 PolarHBondContact N-OD1 3.46Å
379H63.1Low85.8Confident29 Ų2963.4 Ų63.413%0.13432%0.321CS..  trans-143.8124.6179.1-60.5-65.9000114K368 E371 K376K368-H379 HydrophobicContact CD-CB 4.31Å; K368-H379 PolarHBondContact NZ-CD2 3.22Å; K368-H379 PolarHBondContact NZ-ND1 2.61Å; K368-H379 VanDerWaalsContact NZ-ND1 3.18Å; E371-H379 IonicContact OE1-CE1 3.8Å; E371-H379 IonicContact OE1-ND1 2.75Å; E371-H379 IonicContact OE2-CD2 3.81Å; E371-H379 IonicContact OE2-CE1 2.68Å; E371-H379 PolarHBondContact OE2-CE1 3.38Å; E371-H379 IonicContact OE2-CG 3.89Å; E371-H379 IonicContact OE2-ND1 3.72Å; E371-H379 PolarHBondContact OE2-ND1 2.85Å; E371-H379 IonicContact OE2-NE2 2.76Å; E371-H379 PolarHBondContact OE2-NE2 3.12Å; K376-H379 PolarHBondContact O-NE2 3.45Å
380Q65.6Low85.9Confident128 Ų12870.8 Ų70.860%0.59835%0.352SS*.  trans-117.930.9167.8-64-173.2-6.100111.2H13 L382H13-Q380 PolarHBondContact CD2-NE2 2.93Å; H13-Q380 PolarHBondContact CE1-NE2 3.44Å; H13-Q380 PolarHBondContact ND1-NE2 3.3Å; H13-Q380 VanDerWaalsContact ND1-NE2 3.13Å; Q380-L382 PolarHBondContact O-N 2.77Å
381S79.3Confident86Confident38 Ų3870.3 Ų70.327%0.26634%0.342SS..  trans-63.5140.5177.668.40000109.5L383 D384 T385S381-L383 PolarHBondContact O-N 2.71Å; S381-D384 PolarHBondContact O-N 2.84Å; S381-D384 VanDerWaalsContact O-N 3.14Å; S381-D384 VanDerWaalsContact OG-CB 3.23Å; S381-D384 WeakPolarHBondContact OG-CB 3.37Å; S381-D384 PolarHBondContact OG-N 3.21Å; S381-T385 PolarHBondContact O-N 2.85Å; S381-T385 VanDerWaalsContact O-N 3.1Å; S381-T385 PolarHBondContact O-OG1 3.26Å
382L84.6Confident86.2Confident155 Ų15571.1 Ų71.181%0.81235%0.345SS*.Hα-helixtrans-55.6-37177.7-68.7171.8000111Q380 L386Q380-L382 PolarHBondContact O-N 2.77Å; L382-L386 VanDerWaalsContact O-CB 3.25Å; L382-L386 WeakPolarHBondContact O-CB 3.24Å; L382-L386 PolarHBondContact O-N 3.37Å
383L88.2Confident86.5Confident72 Ų7275.5 Ų75.538%0.37737%0.365SS..Hα-helixtrans-66.7-41.7177.7-62.8-179.4000113.3L360 V364 S381 L386 C387L360-L383 HydrophobicContact CD1-CD1 4.37Å; L360-L383 HydrophobicContact CD1-CD2 4.22Å; V364-L383 HydrophobicContact CG2-CB 3.99Å; S381-L383 PolarHBondContact O-N 2.71Å; L383-L386 PolarHBondContact O-N 2.85Å; L383-C387 WeakPolarHBondContact O-CB 3.28Å; L383-C387 PolarHBondContact O-N 2.93Å; L383-C387 PolarHBondContact O-SG 2.86Å
384D89.3Confident86.7Confident0 Ų070.8 Ų70.80%035%0.351CS..Hα-helixtrans-62.1-47.5175.8169.491000111V364 K368 S381 L386 C387 F388 R392V364-D384 HydrophobicContact CG1-CB 4.47Å; K368-D384 WeakPolarHBondContact CE-OD1 3.42Å; S381-D384 PolarHBondContact O-N 2.84Å; S381-D384 VanDerWaalsContact O-N 3.14Å; S381-D384 VanDerWaalsContact OG-CB 3.23Å; S381-D384 WeakPolarHBondContact OG-CB 3.37Å; S381-D384 PolarHBondContact OG-N 3.21Å; D384-L386 VanDerWaalsContact C-N 3.31Å; D384-L386 PolarHBondContact O-N 2.74Å; D384-C387 PolarHBondContact O-N 3.19Å; D384-F388 PolarHBondContact O-N 2.8Å; D384-F388 WeakPolarHBondContact OD1-CD2 3.11Å; D384-R392 IonicContact OD1-CZ 2.74Å; D384-R392 IonicContact OD1-NH2 3.84Å; D384-R392 PolarHBondContact OD1-NH2 3.01Å; D384-R392 IonicContact OD2-CZ 2.69Å; D384-R392 VanDerWaalsContact OD2-CZ 3.27Å; D384-R392 IonicContact OD2-NH1 3.15Å; D384-R392 PolarHBondContact OD2-NH1 2.76Å; D384-R392 IonicContact OD2-NH2 3.05Å; D384-R392 PolarHBondContact OD2-NH2 3.34Å
385T88.7Confident87Confident58 Ų5863.6 Ų63.636%0.35632%0.324SS..Hα-helixtrans-61.3-43.1176.9-59.80000110.4S381 C387 K389S381-T385 PolarHBondContact O-N 2.85Å; S381-T385 VanDerWaalsContact O-N 3.1Å; S381-T385 PolarHBondContact O-OG1 3.26Å; T385-C387 PolarHBondContact O-N 2.79Å; T385-K389 HydrophobicContact CG2-CB 4.23Å; T385-K389 HydrophobicContact CG2-CD 4.14Å; T385-K389 WeakPolarHBondContact O-CB 3.12Å; T385-K389 PolarHBondContact O-N 2.97Å
386L90.4Very high87.4Confident128 Ų12862.5 Ų62.567%0.6731%0.313SS*.Hα-helixtrans-61.4-43.4177.4-177.664.5000112.3L382 L383 D384L382-L386 VanDerWaalsContact O-CB 3.25Å; L382-L386 WeakPolarHBondContact O-CB 3.24Å; L382-L386 PolarHBondContact O-N 3.37Å; L383-L386 PolarHBondContact O-N 2.85Å; D384-L386 VanDerWaalsContact C-N 3.31Å; D384-L386 PolarHBondContact O-N 2.74Å
387C92.5Very high87.8Confident16 Ų1657.7 Ų57.711%0.10830%0.296CS..Hα-helixtrans-74.9-39.9-175.9-65.90000113Y347 V361 L383 D384 T385Y347-C387 PolarHBondContact OH-O 2.9Å; V361-C387 HydrophobicContact CG2-CB 4.28Å; L383-C387 WeakPolarHBondContact O-CB 3.28Å; L383-C387 PolarHBondContact O-N 2.93Å; L383-C387 PolarHBondContact O-SG 2.86Å; D384-C387 PolarHBondContact O-N 3.19Å; T385-C387 PolarHBondContact O-N 2.79Å
388F93.2Very high88.3Confident0 Ų061.9 Ų61.90%031%0.311CS..Hα-helixtrans-117.1-7.7-164.9-54.2-47.9000115Y347 V361 V364 I365 D384 K390 L391 R392 V420Y347-F388 HydrophobicContact CE2-CD1 4.44Å; Y347-F388 WeakPolarHBondContact OH-CD1 3.38Å; V361-F388 HydrophobicContact CG1-CE1 4.28Å; V364-F388 HydrophobicContact CG1-CE2 3.66Å; V364-F388 HydrophobicContact CG1-CZ 4.13Å; I365-F388 HydrophobicContact CG1-CZ 3.9Å; D384-F388 PolarHBondContact O-N 2.8Å; D384-F388 WeakPolarHBondContact OD1-CD2 3.11Å; F388-K390 VanDerWaalsContact C-N 3.32Å; F388-K390 PolarHBondContact O-N 3.47Å; F388-L391 PolarHBondContact O-N 3.43Å; F388-R392 WeakPolarHBondContact O-CG 3.18Å; F388-R392 PolarHBondContact O-N 2.99Å; F388-V420 HydrophobicContact CB-CG1 4.27Å; F388-V420 HydrophobicContact CD1-CG2 3.7Å; F388-V420 HydrophobicContact CE1-CG2 3.83Å; F388-V420 HydrophobicContact CG-CG1 4.43Å; F388-V420 HydrophobicContact CG-CG2 4.08Å; F388-V420 HydrophobicContact CZ-CG2 4.3Å
389K92.5Very high89Confident124 Ų12459.1 Ų59.154%0.53930%0.297SS..Hα-helixtrans-54.7-46.2-179176.1179-179.8-176.40112.2T385 L391 R392 Q393T385-K389 HydrophobicContact CG2-CB 4.23Å; T385-K389 HydrophobicContact CG2-CD 4.14Å; T385-K389 WeakPolarHBondContact O-CB 3.12Å; T385-K389 PolarHBondContact O-N 2.97Å; K389-L391 PolarHBondContact O-N 3.49Å; K389-R392 PolarHBondContact O-N 3.04Å; K389-Q393 HydrophobicContact CG-CG 4.26Å; K389-Q393 WeakPolarHBondContact O-CB 3.41Å; K389-Q393 VanDerWaalsContact O-CG 3.28Å; K389-Q393 WeakPolarHBondContact O-CG 3.48Å; K389-Q393 PolarHBondContact O-N 3.36Å
390K92.9Very high90.4Very high184 Ų18458 Ų5880%0.829%0.292SS*.Hα-helixtrans-60.6-47.1-179.8-70.7-172177-173.50112F388 Q393 A394F388-K390 VanDerWaalsContact C-N 3.32Å; F388-K390 PolarHBondContact O-N 3.47Å; K390-Q393 PolarHBondContact O-N 2.87Å; K390-A394 PolarHBondContact O-N 3.37Å
391L93.9Very high91.6Very high19 Ų1952 Ų5210%0.09926%0.264CS..Hα-helixtrans-60.7-46.3176.8174.256000111.7I343 Y347 F388 K389 Q393 A394 L395 F416 V420I343-L391 HydrophobicContact CG2-CD1 3.58Å; Y347-L391 HydrophobicContact CD2-CB 4.03Å; Y347-L391 HydrophobicContact CD2-CD2 3.77Å; Y347-L391 HydrophobicContact CD2-CG 4.38Å; Y347-L391 HydrophobicContact CE2-CB 4.12Å; Y347-L391 HydrophobicContact CE2-CD2 4.16Å; Y347-L391 HydrophobicContact CG-CD2 4.29Å; F388-L391 PolarHBondContact O-N 3.43Å; K389-L391 PolarHBondContact O-N 3.49Å; L391-Q393 VanDerWaalsContact C-N 3.33Å; L391-Q393 PolarHBondContact O-N 3.08Å; L391-A394 PolarHBondContact O-N 3.35Å; L391-L395 PolarHBondContact O-N 2.84Å; L391-F416 HydrophobicContact CD2-CE1 3.9Å; L391-F416 HydrophobicContact CD2-CZ 3.68Å; L391-V420 HydrophobicContact CD2-CG1 3.71Å; L391-V420 HydrophobicContact CD2-CG2 4.06Å; L391-V420 HydrophobicContact CG-CG1 4.21Å
392R94.3Very high92.3Very high42 Ų4250.2 Ų50.216%0.15825%0.252CS..Hα-helixtrans-61.4-40.7176.5-67.1172.8-172.7152.83.2111.8D384 F388 K389 L395 G396 G397 V420 F421D384-R392 IonicContact OD1-CZ 2.74Å; D384-R392 IonicContact OD1-NH2 3.84Å; D384-R392 PolarHBondContact OD1-NH2 3.01Å; D384-R392 IonicContact OD2-CZ 2.69Å; D384-R392 VanDerWaalsContact OD2-CZ 3.27Å; D384-R392 IonicContact OD2-NH1 3.15Å; D384-R392 PolarHBondContact OD2-NH1 2.76Å; D384-R392 IonicContact OD2-NH2 3.05Å; D384-R392 PolarHBondContact OD2-NH2 3.34Å; F388-R392 WeakPolarHBondContact O-CG 3.18Å; F388-R392 PolarHBondContact O-N 2.99Å; K389-R392 PolarHBondContact O-N 3.04Å; R392-L395 CarbonylContact O-C 3.54Å; R392-L395 PolarHBondContact O-N 3.08Å; R392-G396 PolarHBondContact O-N 2.77Å; R392-G397 VanDerWaalsContact O-CA 3.22Å; R392-G397 WeakPolarHBondContact O-CA 3.27Å; R392-G397 PolarHBondContact O-N 3.18Å; R392-V420 HydrophobicContact CG-CG1 4.33Å; R392-V420 PolarHBondContact NE-O 3.48Å; R392-V420 PolarHBondContact NH2-O 2.99Å; R392-F421 HydrophobicContact CG-CD1 4.49Å; R392-F421 HydrophobicContact CG-CE1 4.05Å
393Q94.7Very high92.7Very high94 Ų9443.9 Ų43.944%0.43922%0.218SC..Hα-helixtrans-67.2-35.6177.6-70.1-51.3-54.600112.7K389 K390 L391 L395 G396K389-Q393 HydrophobicContact CG-CG 4.26Å; K389-Q393 WeakPolarHBondContact O-CB 3.41Å; K389-Q393 VanDerWaalsContact O-CG 3.28Å; K389-Q393 WeakPolarHBondContact O-CG 3.48Å; K389-Q393 PolarHBondContact O-N 3.36Å; K390-Q393 PolarHBondContact O-N 2.87Å; L391-Q393 VanDerWaalsContact C-N 3.33Å; L391-Q393 PolarHBondContact O-N 3.08Å; Q393-L395 PolarHBondContact O-N 2.64Å; Q393-G396 WeakPolarHBondContact O-CA 3.39Å; Q393-G396 PolarHBondContact O-N 2.89Å
394A93.2Very high92.7Very high34 Ų3440.6 Ų40.628%0.28120%0.202SC..Hα-helixtrans-61.8-22.8173.500000112.9K390 L391K390-A394 PolarHBondContact O-N 3.37Å; L391-A394 PolarHBondContact O-N 3.35Å
395L94.6Very high92.6Very high4 Ų440.9 Ų40.92%0.02121%0.205CC..THydrogen-bonded Turntrans-98.921.3170.3-59.4-175.7000113L322 L333 I343 L391 R392 Q393 G397 I399 F421L322-L395 HydrophobicContact CD2-CD2 3.6Å; L333-L395 HydrophobicContact CD2-CD1 4.3Å; I343-L395 HydrophobicContact CD1-CD2 4.35Å; L391-L395 PolarHBondContact O-N 2.84Å; R392-L395 CarbonylContact O-C 3.54Å; R392-L395 PolarHBondContact O-N 3.08Å; Q393-L395 PolarHBondContact O-N 2.64Å; L395-G397 VanDerWaalsContact C-N 3.31Å; L395-G397 PolarHBondContact O-N 3.13Å; L395-I399 HydrophobicContact CB-CG1 4.1Å; L395-F421 HydrophobicContact CD1-CE1 4.01Å; L395-F421 HydrophobicContact CD1-CE2 4.22Å; L395-F421 HydrophobicContact CD1-CZ 3.43Å; L395-F421 VanDerWaalsContact CD1-CZ 3.43Å; L395-F421 HydrophobicContact CG-CZ 4.49Å
396G95.5Very high91.9Very high4 Ų440.7 Ų40.74%0.04121%0.214CC..THydrogen-bonded Turntrans82.5-1.2176.800000116C325 K329 R392 Q393 R398C325-G396 VanDerWaalsContact O-CA 3.27Å; C325-G396 WeakPolarHBondContact O-CA 3.36Å; K329-G396 WeakPolarHBondContact CG-O 3.48Å; R392-G396 PolarHBondContact O-N 2.77Å; Q393-G396 WeakPolarHBondContact O-CA 3.39Å; Q393-G396 PolarHBondContact O-N 2.89Å; G396-R398 PolarHBondContact O-N 3.44Å; G396-R398 VanDerWaalsContact O-N 3.14Å
397G94.3Very high91.2Very high14 Ų1436.8 Ų36.814%0.14420%0.2CC..THydrogen-bonded Turntrans6912.6167.800000115.8H14 R392 L395H14-G397 PolarHBondContact CE1-O 3.4Å; H14-G397 PolarHBondContact NE2-O 3.17Å; R392-G397 VanDerWaalsContact O-CA 3.22Å; R392-G397 WeakPolarHBondContact O-CA 3.27Å; R392-G397 PolarHBondContact O-N 3.18Å; L395-G397 VanDerWaalsContact C-N 3.31Å; L395-G397 PolarHBondContact O-N 3.13Å
398R94.9Very high90.3Very high89 Ų8939.3 Ų39.334%0.33622%0.216SC..  trans-122.60.2179.5-67.6-171.969-171.9-1.9114.6H14 V18 K329 P330 T331 G396 C400H14-R398 WeakPolarHBondContact NE2-CA 3.43Å; V18-R398 HydrophobicContact CG2-CB 4.34Å; V18-R398 HydrophobicContact CG2-CG 4.5Å; K329-R398 HydrophobicContact CB-CG 4.17Å; P330-R398 CarbonylContact O-C 3.58Å; P330-R398 VanDerWaalsContact O-C 3.31Å; P330-R398 WeakPolarHBondContact O-CB 3.33Å; T331-R398 WeakPolarHBondContact CA-O 3.39Å; T331-R398 HydrophobicContact CG2-CB 4.33Å; G396-R398 PolarHBondContact O-N 3.44Å; G396-R398 VanDerWaalsContact O-N 3.14Å; R398-C400 PolarHBondContact O-N 2.78Å; R398-C400 VanDerWaalsContact O-N 3.15Å; R398-C400 PolarHBondContact O-SG 3.18Å; R398-C400 VanDerWaalsContact O-SG 3.35Å
399I94.2Very high89.5Confident9 Ų940 Ų405%0.04622%0.22CC..  trans-57.5119.2179.2-64.8-65.5000110.1H14 P330 L333 L395 I402 F421H14-I399 PolarHBondContact CD2-O 3.28Å; P330-I399 HydrophobicContact CB-CD1 4.03Å; P330-I399 HydrophobicContact CG-CD1 3.89Å; P330-I399 WeakPolarHBondContact O-CD1 3.49Å; P330-I399 PolarHBondContact O-N 2.86Å; L333-I399 HydrophobicContact CB-CD1 3.68Å; L395-I399 HydrophobicContact CB-CG1 4.1Å; I399-I402 HydrophobicContact CG2-CD1 4.32Å; I399-I402 HydrophobicContact CG2-CG1 3.76Å; I399-F421 HydrophobicContact CB-CD1 4.03Å; I399-F421 HydrophobicContact CB-CE1 4.15Å; I399-F421 HydrophobicContact CG2-CD1 3.7Å; I399-F421 HydrophobicContact CG2-CE1 4.13Å; I399-F421 HydrophobicContact CG2-CG 4.37Å
400C91.4Very high88.8Confident6 Ų636.2 Ų36.24%0.04121%0.205CC..  trans-108.6-20.6175.1-71.10000112.1Y15 V18 H19 T331 R398 L424Y15-C400 HydrophobicContact CD2-CB 3.76Å; Y15-C400 HydrophobicContact CE2-CB 4.23Å; V18-C400 WeakPolarHBondContact CB-SG 2.94Å; V18-C400 VanDerWaalsContact CG1-SG 3.58Å; H19-C400 WeakPolarHBondContact CD2-CB 3.47Å; H19-C400 VanDerWaalsContact NE2-CB 3.3Å; H19-C400 WeakPolarHBondContact NE2-CB 3.48Å; T331-C400 PolarHBondContact O-N 2.81Å; R398-C400 PolarHBondContact O-N 2.78Å; R398-C400 VanDerWaalsContact O-N 3.15Å; R398-C400 PolarHBondContact O-SG 3.18Å; R398-C400 VanDerWaalsContact O-SG 3.35Å; C400-L424 VanDerWaalsContact O-CB 3.23Å; C400-L424 WeakPolarHBondContact O-CB 3.14Å; C400-L424 WeakPolarHBondContact O-CD2 3.48Å
401G91Very high88.3Confident1 Ų130 Ų301%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-151.3147174.100000113.1T331 V332 L333 L424T331-G401 PolarHBondContact O-N 3.34Å; V332-G401 WeakPolarHBondContact CA-O 3.49Å; L333-G401 PolarHBondContact N-O 3.45Å; G401-L424 CarbonylContact C-O 3.51Å; G401-L424 VanDerWaalsContact CA-O 3.31Å; G401-L424 WeakPolarHBondContact CA-O 3.09Å
402I93.6Very high87.9Confident1 Ų132.4 Ų32.41%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-120.2127.1171.4-59.4-179.1000107.5L333 T335 L340 I399 F421 L424 I425 V426L333-I402 CarbonylContact O-C 3.56Å; L333-I402 WeakPolarHBondContact O-CA 3.37Å; T335-I402 HydrophobicContact CG2-CG2 3.59Å; L340-I402 HydrophobicContact CD2-CG2 4.25Å; I399-I402 HydrophobicContact CG2-CD1 4.32Å; I399-I402 HydrophobicContact CG2-CG1 3.76Å; I402-F421 HydrophobicContact CD1-CB 4.41Å; I402-F421 HydrophobicContact CD1-CD1 4.34Å; I402-F421 HydrophobicContact CD1-CD2 3.44Å; I402-F421 VanDerWaalsContact CD1-CD2 3.44Å; I402-F421 HydrophobicContact CD1-CE2 3.72Å; I402-F421 HydrophobicContact CD1-CG 3.8Å; I402-F421 HydrophobicContact CD1-CZ 4.32Å; I402-L424 PolarHBondContact N-O 3.34Å; I402-I425 HydrophobicContact CB-CD1 3.66Å; I402-I425 HydrophobicContact CD1-CD1 3.81Å; I402-I425 HydrophobicContact CG1-CD1 3.95Å; I402-I425 HydrophobicContact CG2-CD1 4.47Å; I402-I425 CarbonylContact O-C 3.49Å; I402-I425 WeakPolarHBondContact O-CA 3.02Å; I402-V426 PolarHBondContact O-N 3.44Å
403I92.7Very high87.5Confident22 Ų2231 Ų3111%0.11319%0.189CC..EExtended strand (participates in β ladder)trans-106.9129.2175.9-58168.3000107.1V332 L333 T334 T335 V426V332-I403 HydrophobicContact CG2-CD1 3.86Å; V332-I403 HydrophobicContact CG2-CG1 4.27Å; L333-I403 PolarHBondContact O-N 3.08Å; T334-I403 CarbonylContact C-O 3.56Å; T334-I403 WeakPolarHBondContact CA-O 3.2Å; T334-I403 HydrophobicContact CG2-CB 4.4Å; T334-I403 HydrophobicContact CG2-CG2 4.42Å; T335-I403 PolarHBondContact N-O 2.88Å; I403-V426 CarbonylContact C-O 3.57Å; I403-V426 WeakPolarHBondContact CA-O 2.96Å; I403-V426 HydrophobicContact CG1-CB 4.34Å
404T90Very high87.2Confident4 Ų426.7 Ų26.73%0.02517%0.17CC..EExtended strand (participates in β ladder)trans-132.6141.7179-175.90000111.3T335 L340 L409 V426 E427 G428T335-T404 WeakPolarHBondContact O-CA 3.41Å; L340-T404 HydrophobicContact CD1-CG2 4.34Å; T404-L409 HydrophobicContact CG2-CD2 4.05Å; T404-V426 PolarHBondContact N-O 3.37Å; T404-E427 HydrophobicContact CG2-CB 4.32Å; T404-E427 HydrophobicContact CG2-CG 3.75Å; T404-E427 WeakPolarHBondContact O-CA 2.9Å; T404-G428 PolarHBondContact O-N 3.29Å
405G85.4Confident87.1Confident6 Ų628 Ų286%0.06217%0.17CC..  trans-165.3-174.4179.800000112.7A407 G428G405-A407 PolarHBondContact O-N 3.49Å; G405-G428 WeakPolarHBondContact CA-O 3.22Å
406G74.9Confident87Confident53 Ų5328 Ų2855%0.54617%0.17SC..SBendtrans83.5-19.1177.500000115.6K650G406-K650 PolarHBondContact O-NZ 3.05Å
407A75.4Confident86.9Confident47 Ų4727.9 Ų27.939%0.38817%0.168SC..SBendtrans-155.6162.2171.800000110.7P337 G405P337-A407 HydrophobicContact CG-CB 4.03Å; P337-A407 VanDerWaalsContact CG-O 3.24Å; P337-A407 WeakPolarHBondContact CG-O 3.49Å; G405-A407 PolarHBondContact O-N 3.49Å
408P73.2Confident86.7Confident69 Ų6927.3 Ų27.345%0.44816%0.162SC..PPolyproline II helixtrans-61.7140.9173.4-21.733.8000112.1P337 L524P337-P408 WeakPolarHBondContact CG-O 3.19Å; P408-L524 HydrophobicContact CG-CD2 4.01Å
409L76.8Confident86.5Confident14 Ų1423.1 Ų23.17%0.07315%0.146CC..PPolyproline II helixtrans-100.9137.1170.2-174.360.9000110.1P337 L340 T404 I413 T414P337-L409 HydrophobicContact CB-CD1 3.83Å; P337-L409 HydrophobicContact CG-CB 4.37Å; P337-L409 HydrophobicContact CG-CD1 4.44Å; L340-L409 HydrophobicContact CB-CD1 4.25Å; L340-L409 HydrophobicContact CD1-CD1 4.14Å; L340-L409 HydrophobicContact CD1-CD2 3.8Å; T404-L409 HydrophobicContact CG2-CD2 4.05Å; L409-I413 HydrophobicContact CD1-CB 3.93Å; L409-I413 HydrophobicContact CD1-CD1 4.42Å; L409-I413 HydrophobicContact CD1-CG2 3.74Å; L409-I413 HydrophobicContact CG-CB 4.35Å; L409-I413 HydrophobicContact CG-CG2 4.43Å; L409-T414 WeakPolarHBondContact CD2-OG1 3.47Å; L409-T414 WeakPolarHBondContact CG-OG1 3.48Å
410M77.7Confident86.4Confident45 Ų4522.7 Ų22.722%0.22214%0.143CC..PPolyproline II helixtrans-64.6135.6176.7-76.5-65.5130.100111.2E412 I413 T414 A547M410-E412 PolarHBondContact O-N 2.98Å; M410-E412 VanDerWaalsContact O-N 3.1Å; M410-I413 HydrophobicContact CB-CB 4.44Å; M410-I413 HydrophobicContact CB-CD1 3.95Å; M410-I413 HydrophobicContact CB-CG1 4.05Å; M410-I413 HydrophobicContact CG-CD1 4.46Å; M410-I413 PolarHBondContact O-N 3.22Å; M410-T414 PolarHBondContact O-N 3.48Å; M410-T414 PolarHBondContact O-OG1 2.88Å; M410-A547 HydrophobicContact CE-CB 3.08Å; M410-A547 VanDerWaalsContact CE-O 3.29Å; M410-A547 WeakPolarHBondContact CE-O 3.29Å
411P82.8Confident86.3Confident54 Ų5422.9 Ų22.935%0.35114%0.144SC..Hα-helixtrans-42.8-45.5174-39.542000115.8T414 Q415 I448P411-T414 PolarHBondContact O-N 2.7Å; P411-Q415 WeakPolarHBondContact O-CB 3.31Å; P411-Q415 VanDerWaalsContact O-CG 3.24Å; P411-Q415 WeakPolarHBondContact O-CG 3.48Å; P411-Q415 PolarHBondContact O-N 3.48Å; P411-I448 HydrophobicContact CB-CG2 3.41Å; P411-I448 VanDerWaalsContact CB-CG2 3.41Å; P411-I448 HydrophobicContact CG-CG2 3.61Å
412E84.9Confident85.8Confident68 Ų6823.6 Ų23.632%0.31815%0.147SC..Hα-helixtrans-66.1-39-178.1-179.6173.4171.600112.1Y344 M410 Q415 F416 R620Y344-E412 HydrophobicContact CE2-CG 4.3Å; Y344-E412 PolarHBondContact OH-OE1 3.05Å; M410-E412 PolarHBondContact O-N 2.98Å; M410-E412 VanDerWaalsContact O-N 3.1Å; E412-Q415 PolarHBondContact O-N 2.98Å; E412-F416 VanDerWaalsContact O-CB 3.31Å; E412-F416 WeakPolarHBondContact O-CB 3.34Å; E412-F416 PolarHBondContact O-N 2.7Å; E412-R620 IonicContact OE2-CZ 3.29Å; E412-R620 IonicContact OE2-NH1 3.39Å; E412-R620 PolarHBondContact OE2-NH1 3.1Å; E412-R620 VanDerWaalsContact OE2-NH1 3.17Å; E412-R620 IonicContact OE2-NH2 2.73Å; E412-R620 PolarHBondContact OE2-NH2 3.02Å
413I87.3Confident84.7Confident13 Ų1323.7 Ų23.77%0.06715%0.149CC..Hα-helixtrans-71.5-43.1176.7-55.8173000109.4L340 S341 Y344 L409 M410 Q415 F416 M417L340-I413 HydrophobicContact CB-CG2 3.94Å; S341-I413 WeakPolarHBondContact OG-CD1 3.37Å; Y344-I413 HydrophobicContact CD1-CG1 4.42Å; Y344-I413 HydrophobicContact CD2-CG1 4.38Å; Y344-I413 HydrophobicContact CG-CG1 4.14Å; L409-I413 HydrophobicContact CD1-CB 3.93Å; L409-I413 HydrophobicContact CD1-CD1 4.42Å; L409-I413 HydrophobicContact CD1-CG2 3.74Å; L409-I413 HydrophobicContact CG-CB 4.35Å; L409-I413 HydrophobicContact CG-CG2 4.43Å; M410-I413 HydrophobicContact CB-CB 4.44Å; M410-I413 HydrophobicContact CB-CD1 3.95Å; M410-I413 HydrophobicContact CB-CG1 4.05Å; M410-I413 HydrophobicContact CG-CD1 4.46Å; M410-I413 PolarHBondContact O-N 3.22Å; I413-Q415 VanDerWaalsContact C-N 3.31Å; I413-Q415 PolarHBondContact O-N 3.02Å; I413-F416 PolarHBondContact O-N 3.06Å; I413-M417 HydrophobicContact CG2-CE 4.14Å; I413-M417 HydrophobicContact CG2-CG 4.11Å; I413-M417 WeakPolarHBondContact O-CB 3Å; I413-M417 VanDerWaalsContact O-CG 3.22Å; I413-M417 WeakPolarHBondContact O-CG 3.45Å; I413-M417 PolarHBondContact O-N 2.65Å
414T88.1Confident84.3Confident4 Ų422.7 Ų22.73%0.02514%0.144CC..Hα-helixtrans-55.1-48.4172.9-61.10000110.7L409 M410 P411 M417 R418 E427L409-T414 WeakPolarHBondContact CD2-OG1 3.47Å; L409-T414 WeakPolarHBondContact CG-OG1 3.48Å; M410-T414 PolarHBondContact O-N 3.48Å; M410-T414 PolarHBondContact O-OG1 2.88Å; P411-T414 PolarHBondContact O-N 2.7Å; T414-M417 PolarHBondContact O-N 3.36Å; T414-R418 HydrophobicContact CG2-CG 4.38Å; T414-R418 WeakPolarHBondContact O-CB 3.47Å; T414-R418 VanDerWaalsContact O-CG 3.28Å; T414-R418 WeakPolarHBondContact O-CG 3.08Å; T414-R418 PolarHBondContact O-N 3.27Å; T414-E427 WeakPolarHBondContact CG2-OE1 3.38Å; T414-E427 PolarHBondContact OG1-OE1 2.7Å
415Q90.5Very high84.2Confident61 Ų6122.7 Ų22.729%0.28514%0.144SC..Hα-helixtrans-62.4-46.2178.7-77.9179.4-47.200112.6L369 P411 E412 I413 R418 A419 I448L369-Q415 HydrophobicContact CD1-CB 3.92Å; L369-Q415 HydrophobicContact CD1-CG 4.05Å; L369-Q415 HydrophobicContact CD2-CB 4.11Å; L369-Q415 HydrophobicContact CD2-CG 4.19Å; P411-Q415 WeakPolarHBondContact O-CB 3.31Å; P411-Q415 VanDerWaalsContact O-CG 3.24Å; P411-Q415 WeakPolarHBondContact O-CG 3.48Å; P411-Q415 PolarHBondContact O-N 3.48Å; E412-Q415 PolarHBondContact O-N 2.98Å; I413-Q415 VanDerWaalsContact C-N 3.31Å; I413-Q415 PolarHBondContact O-N 3.02Å; Q415-R418 PolarHBondContact O-N 3.31Å; Q415-A419 WeakPolarHBondContact O-CB 3.22Å; Q415-A419 PolarHBondContact O-N 2.95Å; Q415-I448 HydrophobicContact CG-CD1 4.14Å; Q415-I448 HydrophobicContact CG-CG1 4.3Å
416F92.7Very high84.4Confident4 Ų422.7 Ų22.72%0.01814%0.142CC..Hα-helixtrans-58.2-51.8175.6173.5-97.1000111Y344 Y347 Y348 I365 L391 E412 I413 R418 A419 V420Y344-F416 HydrophobicContact CD2-CB 3.76Å; Y344-F416 AromaticContact CD2-CD1 3.61Å; Y344-F416 HydrophobicContact CD2-CD1 3.61Å; Y344-F416 HydrophobicContact CD2-CD2 4.02Å; Y344-F416 HydrophobicContact CD2-CE1 4.16Å; Y344-F416 AromaticContact CD2-CG 3.52Å; Y344-F416 HydrophobicContact CD2-CG 3.52Å; Y344-F416 HydrophobicContact CE2-CB 3.73Å; Y344-F416 HydrophobicContact CE2-CD1 4.31Å; Y344-F416 AromaticContact CE2-CD2 3.95Å; Y344-F416 HydrophobicContact CE2-CD2 3.95Å; Y344-F416 AromaticContact CE2-CG 3.75Å; Y344-F416 HydrophobicContact CE2-CG 3.75Å; Y347-F416 AromaticContact CD1-CE2 3.63Å; Y347-F416 HydrophobicContact CD1-CE2 3.63Å; Y347-F416 AromaticContact CD1-CZ 3.58Å; Y347-F416 HydrophobicContact CD1-CZ 3.58Å; Y347-F416 HydrophobicContact CD2-CZ 4.38Å; Y347-F416 AromaticContact CE1-CE2 3.81Å; Y347-F416 HydrophobicContact CE1-CE2 3.81Å; Y347-F416 HydrophobicContact CE1-CZ 4.06Å; Y347-F416 HydrophobicContact CG-CE2 4.28Å; Y347-F416 AromaticContact CG-CZ 3.75Å; Y347-F416 HydrophobicContact CG-CZ 3.75Å; Y348-F416 AromaticContact CE2-CD2 3.92Å; Y348-F416 HydrophobicContact CE2-CD2 3.92Å; Y348-F416 AromaticContact CE2-CE2 3.9Å; Y348-F416 HydrophobicContact CE2-CE2 3.9Å; I365-F416 HydrophobicContact CD1-CD2 3.71Å; I365-F416 HydrophobicContact CD1-CE2 4.28Å; L391-F416 HydrophobicContact CD2-CE1 3.9Å; L391-F416 HydrophobicContact CD2-CZ 3.68Å; E412-F416 VanDerWaalsContact O-CB 3.31Å; E412-F416 WeakPolarHBondContact O-CB 3.34Å; E412-F416 PolarHBondContact O-N 2.7Å; I413-F416 PolarHBondContact O-N 3.06Å; F416-R418 PolarHBondContact O-N 3.47Å; F416-A419 PolarHBondContact O-N 3.13Å; F416-A419 VanDerWaalsContact O-N 3.17Å; F416-V420 HydrophobicContact CD1-CG2 4.21Å; F416-V420 HydrophobicContact CD2-CG2 4.24Å; F416-V420 HydrophobicContact CE1-CG2 3.9Å; F416-V420 HydrophobicContact CE2-CG2 3.91Å; F416-V420 HydrophobicContact CG-CG2 4.38Å; F416-V420 HydrophobicContact CZ-CG2 3.74Å; F416-V420 VanDerWaalsContact O-CG2 3.26Å; F416-V420 WeakPolarHBondContact O-CG2 3.4Å; F416-V420 PolarHBondContact O-N 3.2Å
417M92.7Very high85.1Confident1 Ų121 Ų211%0.00512%0.12CC..Hα-helixtrans-63.3-40.8-179.2-65.1-60171.700111.8L340 I343 I413 T414 A419 V420 F421 I425L340-M417 HydrophobicContact CB-CE 3.97Å; L340-M417 HydrophobicContact CD2-CE 3.86Å; L340-M417 HydrophobicContact CD2-CG 4.22Å; L340-M417 HydrophobicContact CD2-SD 4.03Å; L340-M417 WeakPolarHBondContact O-CE 3.39Å; I343-M417 HydrophobicContact CB-CE 4.07Å; I343-M417 HydrophobicContact CG2-CE 3.92Å; I413-M417 HydrophobicContact CG2-CE 4.14Å; I413-M417 HydrophobicContact CG2-CG 4.11Å; I413-M417 WeakPolarHBondContact O-CB 3Å; I413-M417 VanDerWaalsContact O-CG 3.22Å; I413-M417 WeakPolarHBondContact O-CG 3.45Å; I413-M417 PolarHBondContact O-N 2.65Å; T414-M417 PolarHBondContact O-N 3.36Å; M417-A419 VanDerWaalsContact C-N 3.35Å; M417-A419 PolarHBondContact O-N 3.25Å; M417-V420 PolarHBondContact O-N 2.83Å; M417-F421 PolarHBondContact O-N 3.01Å; M417-F421 HydrophobicContact SD-CD2 4.34Å; M417-F421 HydrophobicContact SD-CE2 4Å; M417-I425 HydrophobicContact CB-CD1 3.8Å; M417-I425 HydrophobicContact CB-CG1 4.01Å
418R90.8Very high85.9Confident3 Ų319.8 Ų19.81%0.01111%0.112CC..Hα-helixtrans-60.7-42.8174.3-77.6-179.8178.2163.21.7111.6Q372 T414 Q415 F416 N422 G423 I425 E445 R447Q372-R418 PolarHBondContact NE2-O 2.92Å; T414-R418 HydrophobicContact CG2-CG 4.38Å; T414-R418 WeakPolarHBondContact O-CB 3.47Å; T414-R418 VanDerWaalsContact O-CG 3.28Å; T414-R418 WeakPolarHBondContact O-CG 3.08Å; T414-R418 PolarHBondContact O-N 3.27Å; Q415-R418 PolarHBondContact O-N 3.31Å; F416-R418 PolarHBondContact O-N 3.47Å; R418-N422 PolarHBondContact O-N 3.01Å; R418-G423 PolarHBondContact O-N 3.08Å; R418-I425 HydrophobicContact CB-CG1 4.23Å; R418-I425 HydrophobicContact CG-CB 3.84Å; R418-I425 HydrophobicContact CG-CG1 3.55Å; R418-E445 PolarHBondContact NE-O 3.07Å; R418-E445 PolarHBondContact NH1-O 2.8Å; R418-E445 PolarHBondContact NH2-O 3.31Å; R418-R447 PolarHBondContact NH1-O 3.27Å
419A91.1Very high86.8Confident0 Ų017.4 Ų17.40%09%0.094CC..Hα-helixtrans-66.6-41.6177.100000112.1I365 K368 Q415 F416 M417I365-A419 HydrophobicContact CB-CB 4.27Å; I365-A419 HydrophobicContact CG1-CB 4.1Å; I365-A419 HydrophobicContact CG2-CB 4.01Å; K368-A419 HydrophobicContact CB-CB 3.84Å; K368-A419 HydrophobicContact CG-CB 4.37Å; Q415-A419 WeakPolarHBondContact O-CB 3.22Å; Q415-A419 PolarHBondContact O-N 2.95Å; F416-A419 PolarHBondContact O-N 3.13Å; F416-A419 VanDerWaalsContact O-N 3.17Å; M417-A419 VanDerWaalsContact C-N 3.35Å; M417-A419 PolarHBondContact O-N 3.25Å
420V92.1Very high87.6Confident0 Ų017.7 Ų17.70%010%0.101CC..Hα-helixtrans-69.7-43.1-179173.30000112.1F388 L391 R392 F416 M417F388-V420 HydrophobicContact CB-CG1 4.27Å; F388-V420 HydrophobicContact CD1-CG2 3.7Å; F388-V420 HydrophobicContact CE1-CG2 3.83Å; F388-V420 HydrophobicContact CG-CG1 4.43Å; F388-V420 HydrophobicContact CG-CG2 4.08Å; F388-V420 HydrophobicContact CZ-CG2 4.3Å; L391-V420 HydrophobicContact CD2-CG1 3.71Å; L391-V420 HydrophobicContact CD2-CG2 4.06Å; L391-V420 HydrophobicContact CG-CG1 4.21Å; R392-V420 HydrophobicContact CG-CG1 4.33Å; R392-V420 PolarHBondContact NE-O 3.48Å; R392-V420 PolarHBondContact NH2-O 2.99Å; F416-V420 HydrophobicContact CD1-CG2 4.21Å; F416-V420 HydrophobicContact CD2-CG2 4.24Å; F416-V420 HydrophobicContact CE1-CG2 3.9Å; F416-V420 HydrophobicContact CE2-CG2 3.91Å; F416-V420 HydrophobicContact CG-CG2 4.38Å; F416-V420 HydrophobicContact CZ-CG2 3.74Å; F416-V420 VanDerWaalsContact O-CG2 3.26Å; F416-V420 WeakPolarHBondContact O-CG2 3.4Å; F416-V420 PolarHBondContact O-N 3.2Å; M417-V420 PolarHBondContact O-N 2.83Å
421F89.7Confident88.3Confident11 Ų1116.7 Ų16.75%0.04810%0.098CC..THydrogen-bonded Turntrans-107.220.2-171-64.8-79.4000114.3R392 L395 I399 I402 M417 G423 I425R392-F421 HydrophobicContact CG-CD1 4.49Å; R392-F421 HydrophobicContact CG-CE1 4.05Å; L395-F421 HydrophobicContact CD1-CE1 4.01Å; L395-F421 HydrophobicContact CD1-CE2 4.22Å; L395-F421 HydrophobicContact CD1-CZ 3.43Å; L395-F421 VanDerWaalsContact CD1-CZ 3.43Å; L395-F421 HydrophobicContact CG-CZ 4.49Å; I399-F421 HydrophobicContact CB-CD1 4.03Å; I399-F421 HydrophobicContact CB-CE1 4.15Å; I399-F421 HydrophobicContact CG2-CD1 3.7Å; I399-F421 HydrophobicContact CG2-CE1 4.13Å; I399-F421 HydrophobicContact CG2-CG 4.37Å; I402-F421 HydrophobicContact CD1-CB 4.41Å; I402-F421 HydrophobicContact CD1-CD1 4.34Å; I402-F421 HydrophobicContact CD1-CD2 3.44Å; I402-F421 VanDerWaalsContact CD1-CD2 3.44Å; I402-F421 HydrophobicContact CD1-CE2 3.72Å; I402-F421 HydrophobicContact CD1-CG 3.8Å; I402-F421 HydrophobicContact CD1-CZ 4.32Å; M417-F421 PolarHBondContact O-N 3.01Å; M417-F421 HydrophobicContact SD-CD2 4.34Å; M417-F421 HydrophobicContact SD-CE2 4Å; F421-G423 VanDerWaalsContact C-N 3.32Å; F421-G423 PolarHBondContact O-N 2.86Å; F421-I425 HydrophobicContact CB-CD1 4.28Å
422N79Confident88.9Confident15 Ų1515 Ų158%0.089%0.087CC..THydrogen-bonded Turntrans61.336.5175.3-62-38.1000114.3P12 F377 R418 L424P12-N422 HydrophobicContact CB-CB 4.23Å; P12-N422 HydrophobicContact CG-CB 4.22Å; F377-N422 WeakPolarHBondContact CD1-O 3.45Å; F377-N422 WeakPolarHBondContact O-CB 3.22Å; R418-N422 PolarHBondContact O-N 3.01Å; N422-L424 PolarHBondContact O-N 2.82Å
423G71.9Confident89.4Confident4 Ų412.7 Ų12.74%0.0418%0.076CC..THydrogen-bonded Turntrans83.1-8.3161.400000118.1R418 F421 I425R418-G423 PolarHBondContact O-N 3.08Å; F421-G423 VanDerWaalsContact C-N 3.32Å; F421-G423 PolarHBondContact O-N 2.86Å; G423-I425 PolarHBondContact O-N 3.34Å
424L83.4Confident89.9Confident1 Ų112.1 Ų12.11%0.0057%0.073CC..  trans-8165.6170.9-165.262000110.9Y15 C400 G401 I402 N422 V426 V443Y15-L424 HydrophobicContact CD2-CD2 4.45Å; Y15-L424 HydrophobicContact CE2-CD2 4.01Å; C400-L424 VanDerWaalsContact O-CB 3.23Å; C400-L424 WeakPolarHBondContact O-CB 3.14Å; C400-L424 WeakPolarHBondContact O-CD2 3.48Å; G401-L424 CarbonylContact C-O 3.51Å; G401-L424 VanDerWaalsContact CA-O 3.31Å; G401-L424 WeakPolarHBondContact CA-O 3.09Å; I402-L424 PolarHBondContact N-O 3.34Å; N422-L424 PolarHBondContact O-N 2.82Å; L424-V426 HydrophobicContact CD1-CG2 4.12Å; L424-V443 HydrophobicContact CD1-CB 4.17Å; L424-V443 HydrophobicContact CD1-CG1 3.89Å; L424-V443 HydrophobicContact CD1-CG2 3.52Å
425I88.1Confident90.3Very high4 Ų411.9 Ų11.92%0.0217%0.072CC..EExtended strand (participates in β ladder)trans-104.9109.5167.3-52.1-58000106.6I402 M417 R418 F421 G423 S441I402-I425 HydrophobicContact CB-CD1 3.66Å; I402-I425 HydrophobicContact CD1-CD1 3.81Å; I402-I425 HydrophobicContact CG1-CD1 3.95Å; I402-I425 HydrophobicContact CG2-CD1 4.47Å; I402-I425 CarbonylContact O-C 3.49Å; I402-I425 WeakPolarHBondContact O-CA 3.02Å; M417-I425 HydrophobicContact CB-CD1 3.8Å; M417-I425 HydrophobicContact CB-CG1 4.01Å; R418-I425 HydrophobicContact CB-CG1 4.23Å; R418-I425 HydrophobicContact CG-CB 3.84Å; R418-I425 HydrophobicContact CG-CG1 3.55Å; F421-I425 HydrophobicContact CB-CD1 4.28Å; G423-I425 PolarHBondContact O-N 3.34Å; I425-S441 PolarHBondContact O-OG 2.91Å
426V89.2Confident90.4Very high5 Ų59.9 Ų9.93%0.037%0.068CC..EExtended strand (participates in β ladder)trans-99111.6179.5177.10000109.1I402 I403 T404 L424 V440 S441I402-V426 PolarHBondContact O-N 3.44Å; I403-V426 CarbonylContact C-O 3.57Å; I403-V426 WeakPolarHBondContact CA-O 2.96Å; I403-V426 HydrophobicContact CG1-CB 4.34Å; T404-V426 PolarHBondContact N-O 3.37Å; L424-V426 HydrophobicContact CD1-CG2 4.12Å; V426-V440 HydrophobicContact CG1-CG1 3.35Å; V426-S441 VanDerWaalsContact CA-OG 3.26Å; V426-S441 WeakPolarHBondContact CA-OG 3.44Å
427E89.9Confident90.5Very high19 Ų1910.4 Ų10.49%0.0897%0.071CC..EExtended strand (participates in β ladder)trans-89.6132.7170-56.9-167.1-128.300108.9T404 T414 S441T404-E427 HydrophobicContact CG2-CB 4.32Å; T404-E427 HydrophobicContact CG2-CG 3.75Å; T404-E427 WeakPolarHBondContact O-CA 2.9Å; T414-E427 WeakPolarHBondContact CG2-OE1 3.38Å; T414-E427 PolarHBondContact OG1-OE1 2.7Å; E427-S441 PolarHBondContact N-OG 2.89Å; E427-S441 PolarHBondContact O-N 3.18Å
428G91.1Very high90.7Very high21 Ų2110.3 Ų10.322%0.2167%0.071CC..EExtended strand (participates in β ladder)trans-122.2135.4177.500000111.2T404 G405 T439T404-G428 PolarHBondContact O-N 3.29Å; G405-G428 WeakPolarHBondContact CA-O 3.22Å; G428-T439 WeakPolarHBondContact CA-O 3.43Å
429F92.9Very high90.9Very high18 Ų1810.2 Ų10.28%0.0797%0.07CC..EExtended strand (participates in β ladder)trans-113.3139.1170.8165.6-98.7000110V437 V438 T439 L451 I480 D512 L522 L524F429-V437 CarbonylContact O-C 3.5Å; F429-V438 HydrophobicContact CD1-CB 3.89Å; F429-V438 HydrophobicContact CD1-CG1 4.3Å; F429-V438 HydrophobicContact CD1-CG2 4.45Å; F429-V438 HydrophobicContact CE1-CB 4.1Å; F429-V438 HydrophobicContact CE1-CG1 4.29Å; F429-V438 HydrophobicContact CE1-CG2 4.3Å; F429-V438 WeakPolarHBondContact O-CA 3.43Å; F429-V438 PolarHBondContact O-N 3.29Å; F429-T439 PolarHBondContact N-O 3.2Å; F429-T439 PolarHBondContact O-N 3.42Å; F429-L451 HydrophobicContact CB-CB 4.36Å; F429-L451 HydrophobicContact CB-CD1 3.53Å; F429-L451 HydrophobicContact CB-CD2 4.46Å; F429-L451 HydrophobicContact CB-CG 4.35Å; F429-L451 HydrophobicContact CD1-CD1 4.36Å; F429-L451 HydrophobicContact CD2-CD1 4.16Å; F429-L451 HydrophobicContact CG-CD1 3.75Å; F429-I480 HydrophobicContact CE1-CD1 3.98Å; F429-I480 HydrophobicContact CE1-CG2 4.05Å; F429-I480 HydrophobicContact CZ-CD1 3.91Å; F429-D512 HydrophobicContact CE2-CB 4.19Å; F429-D512 HydrophobicContact CZ-CB 4Å; F429-L522 HydrophobicContact CD1-CD2 4.32Å; F429-L522 HydrophobicContact CE1-CD2 4.48Å; F429-L524 HydrophobicContact CD2-CD1 4.1Å; F429-L524 HydrophobicContact CE2-CD1 3.73Å; F429-L524 HydrophobicContact CZ-CD1 4.34Å
430G92.9Very high91.1Very high21 Ų2110.5 Ų10.522%0.2167%0.072CC..  trans168.5174.417400000111.1
431C93Very high91.2Very high24 Ų2410.5 Ų10.516%0.1627%0.072CC..  trans-127.2173.117561.10000110.4E433 T434 M435 G436C431-E433 WeakPolarHBondContact CB-OE2 3.31Å; C431-E433 PolarHBondContact O-N 3.02Å; C431-E433 PolarHBondContact SG-OE2 3.05Å; C431-E433 VanDerWaalsContact SG-OE2 3.34Å; C431-T434 PolarHBondContact N-OG1 3.2Å; C431-T434 VanDerWaalsContact N-OG1 3.11Å; C431-T434 PolarHBondContact O-N 3.28Å; C431-T434 VanDerWaalsContact O-N 3.08Å; C431-T434 PolarHBondContact O-OG1 3.09Å; C431-T434 VanDerWaalsContact O-OG1 3.07Å; C431-M435 PolarHBondContact O-N 3.13Å; C431-G436 WeakPolarHBondContact O-CA 3.35Å; C431-G436 PolarHBondContact O-N 3.35Å
432T94.5Very high91.3Very high18 Ų1810.2 Ų10.211%0.117%0.071CC..G310 helixtrans-56.8-39.3177.7-56.90000111.6C245 T247 V257 I259 I295 T434 M435C245-T432 HydrophobicContact CB-CG2 3.73Å; T247-T432 VanDerWaalsContact CG2-CB 3.45Å; T247-T432 HydrophobicContact CG2-CG2 3.86Å; T247-T432 WeakPolarHBondContact CG2-OG1 3.45Å; V257-T432 HydrophobicContact CB-CG2 3.8Å; V257-T432 HydrophobicContact CG1-CG2 4.06Å; V257-T432 HydrophobicContact CG2-CG2 3.78Å; I259-T432 HydrophobicContact CD1-CG2 4.44Å; I295-T432 HydrophobicContact CB-CG2 4.33Å; T432-T434 PolarHBondContact O-N 3.32Å; T432-M435 WeakPolarHBondContact O-CE 3.33Å; T432-M435 PolarHBondContact O-N 3.36Å
433E96.8Very high91.8Very high20 Ų209.6 Ų9.69%0.0937%0.068CC..G310 helixtrans-64-20.8179.5-62.287.5165.300113.6V257 C431 T488 Y491 L501 L508V257-E433 HydrophobicContact CG1-CG 4.41Å; V257-E433 HydrophobicContact CG2-CG 3.88Å; C431-E433 WeakPolarHBondContact CB-OE2 3.31Å; C431-E433 PolarHBondContact O-N 3.02Å; C431-E433 PolarHBondContact SG-OE2 3.05Å; C431-E433 VanDerWaalsContact SG-OE2 3.34Å; E433-T488 HydrophobicContact CB-CG2 3.71Å; E433-T488 HydrophobicContact CG-CG2 4.06Å; E433-T488 WeakPolarHBondContact O-CG2 3.25Å; E433-T488 PolarHBondContact O-N 3.34Å; E433-Y491 HydrophobicContact CG-CE1 4.06Å; E433-Y491 WeakPolarHBondContact OE1-CE1 3.37Å; E433-Y491 PolarHBondContact OE1-OH 3.46Å; E433-L501 HydrophobicContact CB-CD1 4.38Å; E433-L501 HydrophobicContact CB-CD2 4.25Å; E433-L501 HydrophobicContact CG-CD1 4.07Å; E433-L501 HydrophobicContact CG-CD2 3.79Å; E433-L508 HydrophobicContact CB-CD1 3.78Å; E433-L508 HydrophobicContact CB-CD2 4.22Å
434T97.1Very high92.6Very high0 Ų09.5 Ų9.50%07%0.067CC..G310 helixtrans-105.914.1174.767.60000112.8C431 T432 G436 V438 V482 R486 L508C431-T434 PolarHBondContact N-OG1 3.2Å; C431-T434 VanDerWaalsContact N-OG1 3.11Å; C431-T434 PolarHBondContact O-N 3.28Å; C431-T434 VanDerWaalsContact O-N 3.08Å; C431-T434 PolarHBondContact O-OG1 3.09Å; C431-T434 VanDerWaalsContact O-OG1 3.07Å; T432-T434 PolarHBondContact O-N 3.32Å; T434-G436 VanDerWaalsContact C-N 3.34Å; T434-V438 HydrophobicContact CG2-CG2 3.74Å; T434-V438 VanDerWaalsContact OG1-CG2 3.29Å; T434-V438 WeakPolarHBondContact OG1-CG2 3.26Å; T434-V482 HydrophobicContact CG2-CB 4.19Å; T434-V482 HydrophobicContact CG2-CG1 4.3Å; T434-V482 HydrophobicContact CG2-CG2 4.24Å; T434-R486 PolarHBondContact O-NE 3.28Å; T434-R486 PolarHBondContact O-NH2 3.39Å; T434-L508 HydrophobicContact CG2-CD2 3.95Å
435M97.3Very high92.9Very high0 Ų09.6 Ų9.60%07%0.067CC..THydrogen-bonded Turntrans60.541.8-173.5-49.5-55.8124.800112.8I259 Q263 A267 I295 C431 T432 V437 R486I259-M435 HydrophobicContact CB-SD 4.29Å; I259-M435 HydrophobicContact CD1-CE 4.38Å; I259-M435 HydrophobicContact CD1-SD 3.88Å; I259-M435 HydrophobicContact CG1-CE 3.94Å; I259-M435 HydrophobicContact CG1-SD 3.87Å; I259-M435 HydrophobicContact CG2-CE 4.49Å; I259-M435 HydrophobicContact CG2-SD 3.64Å; Q263-M435 HydrophobicContact CB-CE 4.4Å; Q263-M435 HydrophobicContact CB-CG 3.96Å; Q263-M435 HydrophobicContact CB-SD 4.04Å; A267-M435 HydrophobicContact CB-CB 3.51Å; A267-M435 HydrophobicContact CB-CG 4.45Å; I295-M435 HydrophobicContact CD1-SD 4.37Å; C431-M435 PolarHBondContact O-N 3.13Å; T432-M435 WeakPolarHBondContact O-CE 3.33Å; T432-M435 PolarHBondContact O-N 3.36Å; M435-V437 PolarHBondContact O-N 3.2Å; M435-R486 WeakPolarHBondContact CG-O 3.28Å; M435-R486 PolarHBondContact O-NH2 2.72Å
436G93.1Very high92.9Very high19 Ų1912.4 Ų12.420%0.1968%0.08CC..THydrogen-bonded Turntrans74.8-11.617200000116.1C431 T434C431-G436 WeakPolarHBondContact O-CA 3.35Å; C431-G436 PolarHBondContact O-N 3.35Å; T434-G436 VanDerWaalsContact C-N 3.34Å
437V93.9Very high92.9Very high14 Ų1414 Ų149%0.0859%0.085CC..  trans-137.5136.2-173.5-172.10000111.8I271 F429 M435 V440 A455 R486I271-V437 HydrophobicContact CD1-CG2 3.89Å; I271-V437 HydrophobicContact CG1-CG2 3.96Å; F429-V437 CarbonylContact O-C 3.5Å; M435-V437 PolarHBondContact O-N 3.2Å; V437-V440 HydrophobicContact CG1-CG2 3.33Å; V437-A455 HydrophobicContact CG1-CB 3.99Å; V437-R486 PolarHBondContact O-NH2 3.36Å
438V96.7Very high92.4Very high0 Ų016.9 Ų16.90%010%0.1CC..SBendtrans-136-41.8175176.60000108.2F429 T434 A455 V460 V482F429-V438 HydrophobicContact CD1-CB 3.89Å; F429-V438 HydrophobicContact CD1-CG1 4.3Å; F429-V438 HydrophobicContact CD1-CG2 4.45Å; F429-V438 HydrophobicContact CE1-CB 4.1Å; F429-V438 HydrophobicContact CE1-CG1 4.29Å; F429-V438 HydrophobicContact CE1-CG2 4.3Å; F429-V438 WeakPolarHBondContact O-CA 3.43Å; F429-V438 PolarHBondContact O-N 3.29Å; T434-V438 HydrophobicContact CG2-CG2 3.74Å; T434-V438 VanDerWaalsContact OG1-CG2 3.29Å; T434-V438 WeakPolarHBondContact OG1-CG2 3.26Å; V438-A455 VanDerWaalsContact O-CB 3.28Å; V438-A455 WeakPolarHBondContact O-CB 3.19Å; V438-A455 PolarHBondContact O-N 2.84Å; V438-V460 HydrophobicContact CG1-CG2 3.58Å; V438-V482 HydrophobicContact CB-CG2 4.44Å; V438-V482 HydrophobicContact CG1-CG1 4.32Å; V438-V482 HydrophobicContact CG1-CG2 3.64Å; V438-V482 HydrophobicContact CG2-CG1 4.36Å; V438-V482 HydrophobicContact CG2-CG2 3.86Å
439T96.3Very high91.7Very high0 Ų017.9 Ų17.90%011%0.111CC..EExtended strand (participates in β ladder)trans-132.3152171.2670000111.8G428 F429 A453 L522G428-T439 WeakPolarHBondContact CA-O 3.43Å; F429-T439 PolarHBondContact N-O 3.2Å; F429-T439 PolarHBondContact O-N 3.42Å; T439-A453 CarbonylContact C-O 3.47Å; T439-A453 WeakPolarHBondContact CA-O 3.44Å; T439-A453 WeakPolarHBondContact CB-O 3.44Å; T439-L522 HydrophobicContact CG2-CB 3.79Å; T439-L522 HydrophobicContact CG2-CD2 3.73Å; T439-L522 HydrophobicContact CG2-CG 4.44Å
440V95Very high91.2Very high6 Ų617.2 Ų17.24%0.03611%0.108CC..EExtended strand (participates in β ladder)trans-137.9126179.4-176.30000108.6N274 T275 V426 V437 L442 L451 G452 A453N274-V440 HydrophobicContact CB-CB 3.95Å; N274-V440 HydrophobicContact CB-CG1 4.25Å; N274-V440 HydrophobicContact CB-CG2 4.25Å; T275-V440 HydrophobicContact CG2-CG1 4.14Å; V426-V440 HydrophobicContact CG1-CG1 3.35Å; V437-V440 HydrophobicContact CG1-CG2 3.33Å; V440-L442 PolarHBondContact O-N 2.89Å; V440-L451 CarbonylContact C-O 3.59Å; V440-G452 CarbonylContact O-C 3.17Å; V440-G452 WeakPolarHBondContact O-CA 3.2Å; V440-A453 PolarHBondContact N-O 3.46Å; V440-A453 PolarHBondContact O-N 3.42Å
441S92.8Very high90.8Very high1 Ų117 Ų171%0.00710%0.102CC..PPolyproline II helixtrans-65135.3175.572.70000110.2I425 V426 E427 L451I425-S441 PolarHBondContact O-OG 2.91Å; V426-S441 VanDerWaalsContact CA-OG 3.26Å; V426-S441 WeakPolarHBondContact CA-OG 3.44Å; E427-S441 PolarHBondContact N-OG 2.89Å; E427-S441 PolarHBondContact O-N 3.18Å; S441-L451 PolarHBondContact N-O 2.87Å
442L92.7Very high90.7Very high4 Ų415.9 Ų15.92%0.02110%0.095CC..PPolyproline II helixtrans-79.5154.1-175-58.4-172.7000112.6H31 Q35 F50 N274 V440 G444 E445 A453H31-L442 HydrophobicContact CB-CD1 3.78Å; Q35-L442 HydrophobicContact CG-CD1 3.89Å; F50-L442 HydrophobicContact CE2-CD1 4.19Å; F50-L442 HydrophobicContact CE2-CD2 3.62Å; F50-L442 HydrophobicContact CZ-CD1 4.13Å; F50-L442 HydrophobicContact CZ-CD2 3.65Å; N274-L442 WeakPolarHBondContact O-CD2 3.43Å; V440-L442 PolarHBondContact O-N 2.89Å; L442-G444 PolarHBondContact O-N 3.32Å; L442-G444 VanDerWaalsContact O-N 3.16Å; L442-E445 VanDerWaalsContact O-CB 3.29Å; L442-E445 WeakPolarHBondContact O-CB 3.32Å; L442-E445 PolarHBondContact O-N 2.58Å; L442-A453 HydrophobicContact CD1-CB 3.98Å; L442-A453 HydrophobicContact CD2-CB 3.65Å; L442-A453 HydrophobicContact CG-CB 3.82Å
443V89.7Confident90.8Very high2 Ų215 Ų151%0.0129%0.089CC..THydrogen-bonded Turntrans-59.4121.3172.4-176.20000109.5Y27 S29 K278 L424Y27-V443 HydrophobicContact CD1-CG1 4.31Å; Y27-V443 HydrophobicContact CD2-CG1 4.22Å; Y27-V443 HydrophobicContact CE1-CG1 4.04Å; Y27-V443 HydrophobicContact CE2-CG1 3.98Å; Y27-V443 HydrophobicContact CG-CG1 4.41Å; Y27-V443 WeakPolarHBondContact O-CG1 3.44Å; S29-V443 PolarHBondContact N-O 2.91Å; K278-V443 HydrophobicContact CB-CG2 4.14Å; K278-V443 HydrophobicContact CD-CB 4.19Å; K278-V443 HydrophobicContact CD-CG1 4.21Å; K278-V443 HydrophobicContact CD-CG2 3.92Å; L424-V443 HydrophobicContact CD1-CB 4.17Å; L424-V443 HydrophobicContact CD1-CG1 3.89Å; L424-V443 HydrophobicContact CD1-CG2 3.52Å
444G88.7Confident90.9Very high2 Ų214.1 Ų14.12%0.0219%0.085CC..THydrogen-bonded Turntrans95.93.5-176.600000115.3F377 L442 F446F377-G444 VanDerWaalsContact CZ-CA 3.42Å; L442-G444 PolarHBondContact O-N 3.32Å; L442-G444 VanDerWaalsContact O-N 3.16Å; G444-F446 PolarHBondContact O-N 2.85Å
445E90.1Very high90.8Very high3 Ų314.1 Ų14.11%0.0149%0.085CC..  trans-61.7120.4171.5-175.155.6-9100111.4L32 Q35 R418 L442 R447L32-E445 HydrophobicContact CD1-CB 4.05Å; Q35-E445 PolarHBondContact NE2-OE2 3.43Å; R418-E445 PolarHBondContact NE-O 3.07Å; R418-E445 PolarHBondContact NH1-O 2.8Å; R418-E445 PolarHBondContact NH2-O 3.31Å; L442-E445 VanDerWaalsContact O-CB 3.29Å; L442-E445 WeakPolarHBondContact O-CB 3.32Å; L442-E445 PolarHBondContact O-N 2.58Å; E445-R447 WeakPolarHBondContact OE1-CA 3.34Å; E445-R447 WeakPolarHBondContact OE1-CB 3.34Å; E445-R447 IonicContact OE1-CZ 3.56Å; E445-R447 PolarHBondContact OE1-N 3.23Å; E445-R447 IonicContact OE1-NE 3.29Å; E445-R447 PolarHBondContact OE1-NE 2.67Å; E445-R447 IonicContact OE1-NH2 2.83Å; E445-R447 PolarHBondContact OE1-NH2 3.17Å; E445-R447 IonicContact OE2-CZ 2.94Å; E445-R447 IonicContact OE2-NE 2.78Å; E445-R447 PolarHBondContact OE2-NE 3.29Å; E445-R447 IonicContact OE2-NH2 3.77Å; E445-R447 PolarHBondContact OE2-NH2 3.17Å
446F87.6Confident90.7Very high64 Ų6417 Ų1728%0.28110%0.096SC..  trans-115.4-15.4-179.267.3-97000112.2L32 K373 G444L32-F446 HydrophobicContact CD2-CD1 4.34Å; L32-F446 HydrophobicContact CD2-CE1 4.25Å; K373-F446 HydrophobicContact CB-CD2 4.35Å; K373-F446 HydrophobicContact CD-CD2 4.48Å; K373-F446 HydrophobicContact CG-CB 4.37Å; K373-F446 HydrophobicContact CG-CD2 3.51Å; K373-F446 HydrophobicContact CG-CE2 3.97Å; K373-F446 HydrophobicContact CG-CG 4.03Å; G444-F446 PolarHBondContact O-N 2.85Å
447R88.1Confident90.8Very high38 Ų3818.3 Ų18.314%0.14311%0.109CC..SBendtrans-70.1150.1176.2-65.5165.3-71.9-134.3-2.6109.5L32 N33 R418 E445 E519L32-R447 VanDerWaalsContact CD1-NH2 3.33Å; L32-R447 PolarHBondContact O-NH2 3.24Å; N33-R447 PolarHBondContact OD1-NH1 2.79Å; R418-R447 PolarHBondContact NH1-O 3.27Å; E445-R447 WeakPolarHBondContact OE1-CA 3.34Å; E445-R447 WeakPolarHBondContact OE1-CB 3.34Å; E445-R447 IonicContact OE1-CZ 3.56Å; E445-R447 PolarHBondContact OE1-N 3.23Å; E445-R447 IonicContact OE1-NE 3.29Å; E445-R447 PolarHBondContact OE1-NE 2.67Å; E445-R447 IonicContact OE1-NH2 2.83Å; E445-R447 PolarHBondContact OE1-NH2 3.17Å; E445-R447 IonicContact OE2-CZ 2.94Å; E445-R447 IonicContact OE2-NE 2.78Å; E445-R447 PolarHBondContact OE2-NE 3.29Å; E445-R447 IonicContact OE2-NH2 3.77Å; E445-R447 PolarHBondContact OE2-NH2 3.17Å; R447-E519 WeakPolarHBondContact CD-OE1 3.47Å; R447-E519 IonicContact CZ-OE1 2.93Å; R447-E519 IonicContact NE-OE1 2.72Å; R447-E519 IonicContact NH1-OE1 3.62Å; R447-E519 PolarHBondContact NH1-OE1 2.98Å; R447-E519 IonicContact NH1-OE2 3.17Å
448I80.7Confident90.9Very high79 Ų7917.8 Ų17.841%0.40511%0.106SC..SBendtrans-97139.5-176.2-63.8171.3000107.9P411 Q415 A450P411-I448 HydrophobicContact CB-CG2 3.41Å; P411-I448 VanDerWaalsContact CB-CG2 3.41Å; P411-I448 HydrophobicContact CG-CG2 3.61Å; Q415-I448 HydrophobicContact CG-CD1 4.14Å; Q415-I448 HydrophobicContact CG-CG1 4.3Å; I448-A450 PolarHBondContact O-N 2.96Å
449G76Confident91Very high43 Ų4321.3 Ų21.344%0.44312%0.123SC..SBendtrans83.8-16.1175.400000115.2L451 M523G449-L451 PolarHBondContact O-N 2.8Å; G449-M523 WeakPolarHBondContact O-CG 3.38Å
450A82.5Confident91.1Very high3 Ų321.3 Ų21.33%0.02512%0.123CC..EExtended strand (participates in β ladder)trans-66.9111170.900000110.6I448 G452I448-A450 PolarHBondContact O-N 2.96Å; A450-G452 VanDerWaalsContact C-N 3.26Å
451L84Confident91.2Very high18 Ų1822.1 Ų22.19%0.09413%0.126CC..EExtended strand (participates in β ladder)trans-68.8-29173.8-63.1177.6000111.6F429 V440 S441 G449 L522 L524F429-L451 HydrophobicContact CB-CB 4.36Å; F429-L451 HydrophobicContact CB-CD1 3.53Å; F429-L451 HydrophobicContact CB-CD2 4.46Å; F429-L451 HydrophobicContact CB-CG 4.35Å; F429-L451 HydrophobicContact CD1-CD1 4.36Å; F429-L451 HydrophobicContact CD2-CD1 4.16Å; F429-L451 HydrophobicContact CG-CD1 3.75Å; V440-L451 CarbonylContact C-O 3.59Å; S441-L451 PolarHBondContact N-O 2.87Å; G449-L451 PolarHBondContact O-N 2.8Å; L451-L522 VanDerWaalsContact CB-O 3.25Å; L451-L522 WeakPolarHBondContact CB-O 3.41Å; L451-L522 PolarHBondContact N-O 3.03Å; L451-L524 HydrophobicContact CD1-CB 3.63Å; L451-L524 HydrophobicContact CD2-CB 4.3Å; L451-L524 HydrophobicContact CG-CB 4.22Å
452G91.8Very high91.5Very high0 Ų022.5 Ų22.50%013%0.128CC..EExtended strand (participates in β ladder)trans128.9-169172.300000116.4V440 A450 S521 L522V440-G452 CarbonylContact O-C 3.17Å; V440-G452 WeakPolarHBondContact O-CA 3.2Å; A450-G452 VanDerWaalsContact C-N 3.26Å; G452-S521 WeakPolarHBondContact CA-OG 3.48Å; G452-S521 PolarHBondContact N-OG 2.9Å; G452-S521 VanDerWaalsContact N-OG 3.13Å; G452-S521 WeakPolarHBondContact O-CA 3.44Å; G452-S521 PolarHBondContact O-OG 3.12Å; G452-L522 PolarHBondContact O-N 3.05Å; G452-L522 VanDerWaalsContact O-N 3.1Å
453A96.5Very high91.6Very high0 Ų023.1 Ų23.10%013%0.134CC..EExtended strand (participates in β ladder)trans-74.7149.9-17900000111.5Q35 F50 T439 V440 L442 A455Q35-A453 HydrophobicContact CB-CB 3.74Å; Q35-A453 HydrophobicContact CG-CB 4.2Å; Q35-A453 VanDerWaalsContact O-CA 3.23Å; Q35-A453 WeakPolarHBondContact O-CA 3.19Å; Q35-A453 WeakPolarHBondContact O-CB 3.31Å; Q35-A453 VanDerWaalsContact OE1-N 3.15Å; F50-A453 HydrophobicContact CE2-CB 4.45Å; T439-A453 CarbonylContact C-O 3.47Å; T439-A453 WeakPolarHBondContact CA-O 3.44Å; T439-A453 WeakPolarHBondContact CB-O 3.44Å; V440-A453 PolarHBondContact N-O 3.46Å; V440-A453 PolarHBondContact O-N 3.42Å; L442-A453 HydrophobicContact CD1-CB 3.98Å; L442-A453 HydrophobicContact CD2-CB 3.65Å; L442-A453 HydrophobicContact CG-CB 3.82Å; A453-A455 PolarHBondContact O-N 2.91Å
454V97.6Very high91.9Very high0 Ų027 Ų270%015%0.154CC..EExtended strand (participates in β ladder)trans-57.6128.7171.9176.50000108.8Q35 S48 N274 V458 V460 W516Q35-V454 PolarHBondContact O-N 2.93Å; S48-V454 WeakPolarHBondContact CA-O 3.37Å; S48-V454 WeakPolarHBondContact CB-O 3.08Å; S48-V454 PolarHBondContact OG-O 3.34Å; N274-V454 PolarHBondContact ND2-O 3.25Å; N274-V454 VanDerWaalsContact ND2-O 3.17Å; V454-V458 HydrophobicContact CG1-CG2 3.9Å; V454-V460 HydrophobicContact CG1-CG2 3.92Å; V454-V460 HydrophobicContact CG2-CB 4.34Å; V454-V460 HydrophobicContact CG2-CG2 4.2Å; V454-W516 HydrophobicContact CG2-CH2 3.73Å; V454-W516 HydrophobicContact CG2-CZ3 4.06Å
455A96.5Very high91.9Very high0 Ų027.6 Ų27.60%016%0.157CC..PPolyproline II helixtrans-64.1145.2-179.200000110.8N274 V437 V438 A453 G457 V458N274-A455 VanDerWaalsContact OD1-CA 3.31Å; N274-A455 WeakPolarHBondContact OD1-CA 3.31Å; V437-A455 HydrophobicContact CG1-CB 3.99Å; V438-A455 VanDerWaalsContact O-CB 3.28Å; V438-A455 WeakPolarHBondContact O-CB 3.19Å; V438-A455 PolarHBondContact O-N 2.84Å; A453-A455 PolarHBondContact O-N 2.91Å; A455-G457 PolarHBondContact O-N 3.11Å; A455-V458 HydrophobicContact CB-CG2 4.08Å; A455-V458 VanDerWaalsContact O-CG2 3.3Å; A455-V458 WeakPolarHBondContact O-CG2 3.4Å; A455-V458 PolarHBondContact O-N 3.31Å
456Y95.2Very high91.6Very high62 Ų6233.4 Ų33.424%0.24319%0.188CC..THydrogen-bonded Turntrans-58.8139.3173.1172.7-93.8000110.5T52 E273 N274T52-Y456 PolarHBondContact OG1-OH 3.37Å; E273-Y456 HydrophobicContact CB-CG 4.18Å; E273-Y456 HydrophobicContact CG-CD1 4.05Å; E273-Y456 HydrophobicContact CG-CG 4.07Å; N274-Y456 PolarHBondContact OD1-N 2.73Å
457G94.2Very high91.3Very high45 Ų4538.3 Ų38.346%0.46422%0.217SC..THydrogen-bonded Turntrans843.1-18000000116.3A455A455-G457 PolarHBondContact O-N 3.11Å
458V96.8Very high90.7Very high4 Ų437.6 Ų37.62%0.02422%0.216CC..  trans-125.6156.3172.5-57.40000113.2V454 A455 V460 V482 R486V454-V458 HydrophobicContact CG1-CG2 3.9Å; A455-V458 HydrophobicContact CB-CG2 4.08Å; A455-V458 VanDerWaalsContact O-CG2 3.3Å; A455-V458 WeakPolarHBondContact O-CG2 3.4Å; A455-V458 PolarHBondContact O-N 3.31Å; V458-V460 HydrophobicContact CG2-CG2 4.39Å; V458-V482 HydrophobicContact CB-CG1 4.03Å; V458-V482 HydrophobicContact CG1-CG1 4.23Å; V458-R486 VanDerWaalsContact CG1-CD 3.4Å; V458-R486 HydrophobicContact CG1-CG 3.56Å
459E98Very high90.6Very high73 Ų7335 Ų3534%0.34121%0.208SC..EExtended strand (participates in β ladder)trans-112.8142.8168.3-59.9175.6-174.200108.7I39 R46 K47 V482 K483 W507I39-E459 HydrophobicContact CD1-CB 4.3Å; I39-E459 VanDerWaalsContact CD1-CD 3.44Å; I39-E459 HydrophobicContact CD1-CG 3.69Å; R46-E459 CarbonylContact O-C 3.58Å; R46-E459 VanDerWaalsContact O-CA 3.27Å; R46-E459 WeakPolarHBondContact O-CA 3.2Å; K47-E459 HydrophobicContact CB-CG 4.5Å; E459-V482 CarbonylContact O-C 3.58Å; E459-V482 WeakPolarHBondContact O-CA 3.26Å; E459-K483 HydrophobicContact CB-CB 4.44Å; E459-K483 PolarHBondContact N-O 2.92Å; E459-K483 PolarHBondContact O-N 3.03Å; E459-W507 HydrophobicContact CB-CH2 3.98Å; E459-W507 HydrophobicContact CB-CZ3 4.25Å
460V98.4Very high91Very high0 Ų033.4 Ų33.40%019%0.19CC..EExtended strand (participates in β ladder)trans-132.1130.1-178.6-177.20000109.2A45 R46 V438 V454 V458 I480 C481 W516A45-V460 WeakPolarHBondContact CA-O 3.44Å; R46-V460 PolarHBondContact N-O 2.53Å; R46-V460 PolarHBondContact O-N 3.46Å; V438-V460 HydrophobicContact CG1-CG2 3.58Å; V454-V460 HydrophobicContact CG1-CG2 3.92Å; V454-V460 HydrophobicContact CG2-CB 4.34Å; V454-V460 HydrophobicContact CG2-CG2 4.2Å; V458-V460 HydrophobicContact CG2-CG2 4.39Å; V460-I480 HydrophobicContact CG1-CG2 3.9Å; V460-C481 WeakPolarHBondContact CA-O 3.37Å; V460-W516 HydrophobicContact CB-CH2 4.18Å; V460-W516 HydrophobicContact CB-CZ2 4.33Å; V460-W516 HydrophobicContact CG1-CH2 4.05Å; V460-W516 HydrophobicContact CG1-CZ2 4.01Å
461K97.8Very high91.4Very high24 Ų2435.3 Ų35.310%0.10420%0.201CC..EExtended strand (participates in β ladder)trans-121.8160.3167.373.6178.1-178.2-1730109.7A45 C481 D503 W507A45-K461 HydrophobicContact CB-CB 4.18Å; K461-C481 HydrophobicContact CD-CB 4.34Å; K461-C481 HydrophobicContact CG-CB 3.64Å; K461-C481 PolarHBondContact N-O 3.45Å; K461-C481 PolarHBondContact O-N 2.86Å; K461-D503 IonicContact NZ-OD2 2.7Å; K461-W507 HydrophobicContact CB-CH2 4.08Å; K461-W507 HydrophobicContact CB-CZ3 4.11Å; K461-W507 HydrophobicContact CD-CD2 3.68Å; K461-W507 HydrophobicContact CD-CE3 4.01Å; K461-W507 HydrophobicContact CD-CG 4.19Å; K461-W507 HydrophobicContact CD-CH2 4.2Å; K461-W507 HydrophobicContact CD-CZ2 3.86Å; K461-W507 HydrophobicContact CD-CZ3 4.26Å; K461-W507 VanDerWaalsContact CE-CD2 3.44Å; K461-W507 VanDerWaalsContact CE-CG 3.41Å; K461-W507 HydrophobicContact CG-CD2 4.02Å; K461-W507 HydrophobicContact CG-CE3 3.8Å; K461-W507 HydrophobicContact CG-CH2 4.07Å; K461-W507 HydrophobicContact CG-CZ2 4.26Å; K461-W507 HydrophobicContact CG-CZ3 3.82Å; K461-W507 VanDerWaalsContact NZ-CG 3.3Å
462L97.9Very high91.8Very high8 Ų835.9 Ų35.94%0.04221%0.205CC..EExtended strand (participates in β ladder)trans-98.6129.9162-59.4179.5000107.3V472 E479 I480 G514 W516 L522L462-V472 HydrophobicContact CB-CG1 3.91Å; L462-V472 HydrophobicContact CB-CG2 3.74Å; L462-V472 HydrophobicContact CD1-CG1 4.47Å; L462-E479 CarbonylContact C-O 3.55Å; L462-E479 VanDerWaalsContact CA-O 3.31Å; L462-E479 WeakPolarHBondContact CA-O 3.43Å; L462-I480 HydrophobicContact CD2-CG1 3.87Å; L462-G514 WeakPolarHBondContact CD1-O 3.41Å; L462-W516 HydrophobicContact CD1-CG 4.32Å; L462-L522 HydrophobicContact CD2-CD1 4.19Å
463A96.5Very high91.9Very high18 Ų1845 Ų4515%0.14925%0.245CC..EExtended strand (participates in β ladder)trans-102.5146175.600000110.9G478 E479A463-G478 CarbonylContact O-C 3.57Å; A463-G478 WeakPolarHBondContact O-CA 3.4Å; A463-E479 HydrophobicContact CB-CB 4.46Å; A463-E479 PolarHBondContact N-O 3.43Å; A463-E479 PolarHBondContact O-N 3.39Å
464D94.3Very high91.6Very high83 Ų8352.8 Ų52.844%0.44427%0.274SS..PPolyproline II helixtrans-61.5141.8173.6-66.5-21.6000110.1L466 V471 V472D464-L466 HydrophobicContact CB-CD2 4.09Å; D464-V471 WeakPolarHBondContact OD1-CA 3.48Å; D464-V472 WeakPolarHBondContact OD1-CG2 3.34Å; D464-V472 PolarHBondContact OD1-N 3.39Å
465V89.5Confident91.2Very high14 Ų1455.2 Ų55.29%0.08529%0.287CS..BIsolated β-bridgetrans-120.181.9175-1700000107.5D467 L468 G469 L470 E479 I513 V528V465-D467 VanDerWaalsContact C-N 3.29Å; V465-D467 PolarHBondContact O-N 3.01Å; V465-L468 HydrophobicContact CB-CB 4.22Å; V465-L468 HydrophobicContact CB-CD1 4.49Å; V465-L468 HydrophobicContact CG1-CB 3.86Å; V465-L468 HydrophobicContact CG1-CD1 3.84Å; V465-L468 HydrophobicContact CG1-CG 3.75Å; V465-L468 CarbonylContact O-C 3.59Å; V465-L468 WeakPolarHBondContact O-CA 3.32Å; V465-L468 PolarHBondContact O-N 2.95Å; V465-G469 PolarHBondContact O-N 2.88Å; V465-L470 HydrophobicContact CB-CB 4.27Å; V465-L470 PolarHBondContact N-O 3.1Å; V465-L470 PolarHBondContact O-N 3.02Å; V465-E479 HydrophobicContact CG2-CB 3.73Å; V465-I513 HydrophobicContact CG2-CD1 3.78Å; V465-V528 HydrophobicContact CG1-CG1 4.04Å
466L84.6Confident91.1Very high126 Ų12658.8 Ų58.866%0.6631%0.306SS*.G310 helixtrans-63.6-32.2-169.8-60.2-178.2000113.2D464 L468 G469 V471D464-L466 HydrophobicContact CB-CD2 4.09Å; L466-L468 PolarHBondContact O-N 2.65Å; L466-G469 WeakPolarHBondContact O-CA 3.31Å; L466-G469 PolarHBondContact O-N 2.82Å; L466-V471 HydrophobicContact CD2-CG2 4.43Å
467D79.5Confident90.9Very high166 Ų16660.4 Ų60.489%0.88831%0.312SS*.G310 helixtrans-64.4-32.8173.9-66.4-16.4000111.8V465 G469V465-D467 VanDerWaalsContact C-N 3.29Å; V465-D467 PolarHBondContact O-N 3.01Å; D467-G469 VanDerWaalsContact C-N 3.29Å
468L77.3Confident90.9Very high23 Ų2358.2 Ų58.212%0.1229%0.29CS..G310 helixtrans-90.112.2168.5-62.8-177.4000111.5V465 L466 L470 V528 I531 Y539V465-L468 HydrophobicContact CB-CB 4.22Å; V465-L468 HydrophobicContact CB-CD1 4.49Å; V465-L468 HydrophobicContact CG1-CB 3.86Å; V465-L468 HydrophobicContact CG1-CD1 3.84Å; V465-L468 HydrophobicContact CG1-CG 3.75Å; V465-L468 CarbonylContact O-C 3.59Å; V465-L468 WeakPolarHBondContact O-CA 3.32Å; V465-L468 PolarHBondContact O-N 2.95Å; L466-L468 PolarHBondContact O-N 2.65Å; L468-L470 HydrophobicContact CB-CD1 4.15Å; L468-L470 HydrophobicContact CB-CG 4.11Å; L468-L470 HydrophobicContact CD1-CD1 4.22Å; L468-L470 PolarHBondContact O-N 2.83Å; L468-V528 HydrophobicContact CD1-CG1 4.38Å; L468-I531 HydrophobicContact CD1-CB 4.14Å; L468-I531 HydrophobicContact CD1-CD1 4.48Å; L468-I531 HydrophobicContact CD1-CG2 4.22Å; L468-I531 HydrophobicContact CD2-CG2 4.35Å; L468-Y539 HydrophobicContact CB-CE1 4.06Å; L468-Y539 HydrophobicContact CD2-CE1 4.44Å; L468-Y539 WeakPolarHBondContact O-CE1 3.13Å; L468-Y539 PolarHBondContact O-OH 2.91Å
469G78Confident90.9Very high24 Ų2459.3 Ų59.325%0.24730%0.295CS..THydrogen-bonded Turntrans5215.7-177.300000115.6V465 L466 D467 R474V465-G469 PolarHBondContact O-N 2.88Å; L466-G469 WeakPolarHBondContact O-CA 3.31Å; L466-G469 PolarHBondContact O-N 2.82Å; D467-G469 VanDerWaalsContact C-N 3.29Å; G469-R474 PolarHBondContact O-NH2 2.72Å
470L84Confident90.9Very high11 Ų1155.9 Ų55.96%0.05828%0.278CS..BIsolated β-bridgetrans-83.7122.2-178.3-71.7174.4000108.9V465 L468 R477 I513V465-L470 HydrophobicContact CB-CB 4.27Å; V465-L470 PolarHBondContact N-O 3.1Å; V465-L470 PolarHBondContact O-N 3.02Å; L468-L470 HydrophobicContact CB-CD1 4.15Å; L468-L470 HydrophobicContact CB-CG 4.11Å; L468-L470 HydrophobicContact CD1-CD1 4.22Å; L468-L470 PolarHBondContact O-N 2.83Å; L470-R477 HydrophobicContact CD2-CB 4.28Å; L470-I513 HydrophobicContact CD1-CD1 4.13Å; L470-I513 HydrophobicContact CD1-CG1 4.42Å; L470-I513 HydrophobicContact CD1-CG2 4.26Å
471V90.4Very high90.9Very high43 Ų4355.9 Ų55.926%0.26128%0.278SS..  trans-121.2115.4176.9-179.70000108.1D464 L466 K473 R474 D475D464-V471 WeakPolarHBondContact OD1-CA 3.48Å; L466-V471 HydrophobicContact CD2-CG2 4.43Å; V471-K473 VanDerWaalsContact C-N 3.27Å; V471-K473 PolarHBondContact O-N 3.06Å; V471-K473 VanDerWaalsContact O-N 3.16Å; V471-R474 HydrophobicContact CB-CB 4.26Å; V471-R474 PolarHBondContact O-N 2.94Å; V471-D475 PolarHBondContact N-OD2 3.23Å; V471-D475 PolarHBondContact O-N 3.03Å
472V93.8Very high90.9Very high30 Ų3054.7 Ų54.718%0.18227%0.273CS..Hα-helixtrans-55.3-42.5-170.7176.10000111.6L462 D464 R474 N476 R477L462-V472 HydrophobicContact CB-CG1 3.91Å; L462-V472 HydrophobicContact CB-CG2 3.74Å; L462-V472 HydrophobicContact CD1-CG1 4.47Å; D464-V472 WeakPolarHBondContact OD1-CG2 3.34Å; D464-V472 PolarHBondContact OD1-N 3.39Å; V472-R474 VanDerWaalsContact C-N 3.27Å; V472-R474 PolarHBondContact O-N 2.84Å; V472-N476 VanDerWaalsContact O-CA 3.24Å; V472-N476 WeakPolarHBondContact O-CA 3.32Å; V472-N476 PolarHBondContact O-N 3.13Å; V472-R477 WeakPolarHBondContact CA-O 3.23Å; V472-R477 WeakPolarHBondContact CG2-O 3.33Å
473K92.5Very high90.9Very high190 Ų19058.2 Ų58.283%0.82629%0.288SS*.Hα-helixtrans-63.6-30.9179.2-73.4-174.1177.5178.90113.7V471V471-K473 VanDerWaalsContact C-N 3.27Å; V471-K473 PolarHBondContact O-N 3.06Å; V471-K473 VanDerWaalsContact O-N 3.16Å
474R90.8Very high90.9Very high165 Ų16558.6 Ų58.662%0.62329%0.294SS*.Hα-helixtrans-88.7-42.8-179.3-172.9-172.966.4-149.1-7.7111.2G469 V471 V472G469-R474 PolarHBondContact O-NH2 2.72Å; V471-R474 HydrophobicContact CB-CB 4.26Å; V471-R474 PolarHBondContact O-N 2.94Å; V472-R474 VanDerWaalsContact C-N 3.27Å; V472-R474 PolarHBondContact O-N 2.84Å
475D89.6Confident90.9Very high51 Ų5163 Ų6327%0.27331%0.309SS..Hα-helixtrans-107.2-8.6-164.6-52.5-41.8000113.5V471 R477V471-D475 PolarHBondContact N-OD2 3.23Å; V471-D475 PolarHBondContact O-N 3.03Å; D475-R477 HydrophobicContact CB-CB 4.21Å; D475-R477 PolarHBondContact O-N 2.87Å; D475-R477 VanDerWaalsContact O-N 3.12Å
476N93.2Very high91.1Very high75 Ų7562.3 Ų62.340%0.40131%0.305SS..SBendtrans52.526.4-168.9-171.445.3000112.8V472 E515 W516V472-N476 VanDerWaalsContact O-CA 3.24Å; V472-N476 WeakPolarHBondContact O-CA 3.32Å; V472-N476 PolarHBondContact O-N 3.13Å; N476-E515 VanDerWaalsContact O-CA 3.28Å; N476-E515 WeakPolarHBondContact O-CA 3.36Å; N476-E515 WeakPolarHBondContact O-CB 3.49Å; N476-W516 PolarHBondContact ND2-O 2.87Å
477R92.4Very high91.8Very high95 Ų9556.8 Ų56.836%0.35828%0.277SS..EExtended strand (participates in β ladder)trans-135139.8-175.3-75.8174.7-180-168.8-2.8110.7L470 V472 D475 I513 G514 E515 V525L470-R477 HydrophobicContact CD2-CB 4.28Å; V472-R477 WeakPolarHBondContact CA-O 3.23Å; V472-R477 WeakPolarHBondContact CG2-O 3.33Å; D475-R477 HydrophobicContact CB-CB 4.21Å; D475-R477 PolarHBondContact O-N 2.87Å; D475-R477 VanDerWaalsContact O-N 3.12Å; R477-I513 HydrophobicContact CB-CG2 4.41Å; R477-G514 WeakPolarHBondContact CA-O 3.49Å; R477-E515 HydrophobicContact CG-CB 3.99Å; R477-E515 IonicContact CZ-OE2 2.78Å; R477-E515 IonicContact NE-OE2 3.31Å; R477-E515 PolarHBondContact NE-OE2 3.48Å; R477-E515 IonicContact NH2-OE2 2.91Å; R477-E515 PolarHBondContact NH2-OE2 3.27Å; R477-V525 HydrophobicContact CG-CG2 4.48Å
478G94.2Very high92.6Very high0 Ų049 Ų490%024%0.235CC..EExtended strand (participates in β ladder)trans-173.4175.9176.500000111.9A463 I480 I513 G514A463-G478 CarbonylContact O-C 3.57Å; A463-G478 WeakPolarHBondContact O-CA 3.4Å; G478-I480 PolarHBondContact O-N 2.9Å; G478-I513 WeakPolarHBondContact O-CA 3.35Å; G478-G514 PolarHBondContact N-O 2.83Å; G478-G514 PolarHBondContact O-N 2.95Å
479E96.3Very high93.6Very high27 Ų2753.3 Ų53.313%0.12625%0.253CS..EExtended strand (participates in β ladder)trans-66.2129.3174.4179175.7-150.200110.3L462 A463 V465 C481 H509 G511 D512 I513 V528L462-E479 CarbonylContact C-O 3.55Å; L462-E479 VanDerWaalsContact CA-O 3.31Å; L462-E479 WeakPolarHBondContact CA-O 3.43Å; A463-E479 HydrophobicContact CB-CB 4.46Å; A463-E479 PolarHBondContact N-O 3.43Å; A463-E479 PolarHBondContact O-N 3.39Å; V465-E479 HydrophobicContact CG2-CB 3.73Å; E479-C481 PolarHBondContact O-N 3.45Å; E479-H509 WeakPolarHBondContact OE1-CB 3.47Å; E479-H509 IonicContact OE1-ND1 2.71Å; E479-H509 IonicContact OE2-CE1 3.18Å; E479-H509 IonicContact OE2-CG 3.49Å; E479-H509 IonicContact OE2-ND1 3.63Å; E479-H509 PolarHBondContact OE2-ND1 3.32Å; E479-G511 VanDerWaalsContact OE1-CA 3.24Å; E479-G511 WeakPolarHBondContact OE1-CA 3.21Å; E479-G511 PolarHBondContact OE1-N 2.76Å; E479-D512 CarbonylContact C-O 3.55Å; E479-D512 VanDerWaalsContact CA-O 3.32Å; E479-D512 WeakPolarHBondContact CA-O 3.27Å; E479-I513 HydrophobicContact CB-CD1 4.33Å; E479-V528 HydrophobicContact CB-CG2 4.14Å; E479-V528 HydrophobicContact CG-CG2 4.07Å
480I97.3Very high94.5Very high0 Ų052.1 Ų52.10%024%0.241CC..EExtended strand (participates in β ladder)trans-69.3115.4173.6-60.2161.5000107.7F429 V460 L462 G478 V482 T510 D512 L522 L524F429-I480 HydrophobicContact CE1-CD1 3.98Å; F429-I480 HydrophobicContact CE1-CG2 4.05Å; F429-I480 HydrophobicContact CZ-CD1 3.91Å; V460-I480 HydrophobicContact CG1-CG2 3.9Å; L462-I480 HydrophobicContact CD2-CG1 3.87Å; G478-I480 PolarHBondContact O-N 2.9Å; I480-V482 HydrophobicContact CG2-CG2 4.22Å; I480-T510 HydrophobicContact CG2-CG2 4.36Å; I480-T510 WeakPolarHBondContact O-CG2 3.47Å; I480-T510 PolarHBondContact O-N 3.2Å; I480-T510 PolarHBondContact O-OG1 3.45Å; I480-D512 HydrophobicContact CD1-CB 4Å; I480-D512 PolarHBondContact N-O 3.06Å; I480-L522 HydrophobicContact CD1-CD2 3.79Å; I480-L522 HydrophobicContact CD1-CG 4.36Å; I480-L522 HydrophobicContact CG1-CD1 4.4Å; I480-L522 HydrophobicContact CG1-CD2 4.13Å; I480-L522 HydrophobicContact CG2-CD2 4.14Å; I480-L524 HydrophobicContact CD1-CD1 3.99Å
481C98.4Very high95.1Very high0 Ų052.1 Ų52.10%024%0.24CC..EExtended strand (participates in β ladder)trans-115.3134.4176.9-690000109.2V460 K461 E479 W507 L508V460-C481 WeakPolarHBondContact CA-O 3.37Å; K461-C481 HydrophobicContact CD-CB 4.34Å; K461-C481 HydrophobicContact CG-CB 3.64Å; K461-C481 PolarHBondContact N-O 3.45Å; K461-C481 PolarHBondContact O-N 2.86Å; E479-C481 PolarHBondContact O-N 3.45Å; C481-W507 HydrophobicContact CB-CB 4.2Å; C481-W507 HydrophobicContact CB-CD2 4.47Å; C481-W507 HydrophobicContact CB-CE3 4Å; C481-L508 CarbonylContact C-O 3.57Å; C481-L508 VanDerWaalsContact CA-O 3.29Å; C481-L508 WeakPolarHBondContact CA-O 3.39Å
482V98.5Very high95.4Very high0 Ų050.6 Ų50.60%023%0.23CC..EExtended strand (participates in β ladder)trans-122.7138.1-172.4-170.70000110.6T434 V438 V458 E459 I480 L508 T510T434-V482 HydrophobicContact CG2-CB 4.19Å; T434-V482 HydrophobicContact CG2-CG1 4.3Å; T434-V482 HydrophobicContact CG2-CG2 4.24Å; V438-V482 HydrophobicContact CB-CG2 4.44Å; V438-V482 HydrophobicContact CG1-CG1 4.32Å; V438-V482 HydrophobicContact CG1-CG2 3.64Å; V438-V482 HydrophobicContact CG2-CG1 4.36Å; V438-V482 HydrophobicContact CG2-CG2 3.86Å; V458-V482 HydrophobicContact CB-CG1 4.03Å; V458-V482 HydrophobicContact CG1-CG1 4.23Å; E459-V482 CarbonylContact O-C 3.58Å; E459-V482 WeakPolarHBondContact O-CA 3.26Å; I480-V482 HydrophobicContact CG2-CG2 4.22Å; V482-L508 PolarHBondContact N-O 3.17Å; V482-L508 VanDerWaalsContact O-CB 3.28Å; V482-L508 WeakPolarHBondContact O-CB 3.29Å; V482-L508 PolarHBondContact O-N 2.88Å; V482-T510 HydrophobicContact CG2-CG2 3.85Å
483K98Very high95.5Very high81 Ų8153.7 Ų53.735%0.35224%0.241SC..EExtended strand (participates in β ladder)trans-132.6137.6174.4-175.5169.8-178.1173.60109.7E459 D505 W507E459-K483 HydrophobicContact CB-CB 4.44Å; E459-K483 PolarHBondContact N-O 2.92Å; E459-K483 PolarHBondContact O-N 3.03Å; K483-D505 WeakPolarHBondContact CE-O 3.24Å; K483-D505 PolarHBondContact NZ-O 2.61Å; K483-W507 HydrophobicContact CB-CD2 3.92Å; K483-W507 HydrophobicContact CB-CE3 3.56Å; K483-W507 HydrophobicContact CB-CH2 4.05Å; K483-W507 HydrophobicContact CB-CZ2 4.38Å; K483-W507 HydrophobicContact CB-CZ3 3.63Å; K483-W507 HydrophobicContact CD-CD2 4.31Å; K483-W507 HydrophobicContact CD-CZ2 4.3Å
484G96.3Very high95.6Very high26 Ų2646.4 Ų46.427%0.26821%0.211SC..SBendtrans170.5158179.100000112R486 C487G484-R486 PolarHBondContact O-N 3.25Å; G484-C487 WeakPolarHBondContact O-CB 3.08Å; G484-C487 PolarHBondContact O-N 2.82Å; G484-C487 VanDerWaalsContact O-N 3.08Å
485K94.4Very high95.9Very high176 Ų17643.4 Ų43.477%0.76521%0.213SC*.THydrogen-bonded Turntrans-60.7-29.6179.5-68-174.5179-177.40112.6
486R94.6Very high96.1Very high0 Ų048.4 Ų48.40%024%0.235CC..THydrogen-bonded Turntrans-74.6-14.417658.7173.2-96.2168.322.5115.6D266 T434 M435 V437 V458 G484D266-R486 HydrophobicContact CB-CB 3.68Å; T434-R486 PolarHBondContact O-NE 3.28Å; T434-R486 PolarHBondContact O-NH2 3.39Å; M435-R486 WeakPolarHBondContact CG-O 3.28Å; M435-R486 PolarHBondContact O-NH2 2.72Å; V437-R486 PolarHBondContact O-NH2 3.36Å; V458-R486 VanDerWaalsContact CG1-CD 3.4Å; V458-R486 HydrophobicContact CG1-CG 3.56Å; G484-R486 PolarHBondContact O-N 3.25Å
487C97.6Very high96.1Very high9 Ų947 Ų476%0.06123%0.227CC..SBendtrans-68.6143.6174.3-670000110Q263 G484 L508Q263-C487 PolarHBondContact NE2-O 3.01Å; G484-C487 WeakPolarHBondContact O-CB 3.08Å; G484-C487 PolarHBondContact O-N 2.82Å; G484-C487 VanDerWaalsContact O-N 3.08Å; C487-L508 HydrophobicContact CB-CD1 4.06Å
488T98Very high96.2Very high3 Ų343.8 Ų43.82%0.01822%0.218CC..  trans-53.8153.5178-174.10000111.9V257 M258 E433 G490 L501 I502 L508V257-T488 HydrophobicContact CG1-CG2 4.05Å; V257-T488 WeakPolarHBondContact CG1-OG1 3.46Å; M258-T488 PolarHBondContact O-OG1 3.34Å; E433-T488 HydrophobicContact CB-CG2 3.71Å; E433-T488 HydrophobicContact CG-CG2 4.06Å; E433-T488 WeakPolarHBondContact O-CG2 3.25Å; E433-T488 PolarHBondContact O-N 3.34Å; T488-G490 VanDerWaalsContact C-N 3.3Å; T488-G490 PolarHBondContact OG1-N 2.82Å; T488-G490 PolarHBondContact OG1-O 2.86Å; T488-G490 VanDerWaalsContact OG1-O 3.13Å; T488-L501 HydrophobicContact CG2-CD2 3.8Å; T488-I502 WeakPolarHBondContact O-CD1 3.25Å; T488-L508 HydrophobicContact CG2-CD1 3.99Å
489K96.8Very high96.3Very high113 Ų11347.2 Ų47.249%0.49125%0.247SC..  trans-83-9.1170.8-55.3-52.8-176.8-173.30113.1E260E260-K489 WeakPolarHBondContact OE1-CG 3.42Å
490G97.4Very high96.1Very high0 Ų052.4 Ų52.40%028%0.275CS..  trans140.8-168.7178.700000113.5M258 T488M258-G490 PolarHBondContact N-O 3.33Å; M258-G490 VanDerWaalsContact N-O 3.1Å; T488-G490 VanDerWaalsContact C-N 3.3Å; T488-G490 PolarHBondContact OG1-N 2.82Å; T488-G490 PolarHBondContact OG1-O 2.86Å; T488-G490 VanDerWaalsContact OG1-O 3.13Å
491Y97.1Very high96.1Very high10 Ų1053 Ų534%0.03928%0.278CS..BIsolated β-bridgetrans-94.2137.5177.2-59.9-65.1000111K255 G256 V257 E433 K493 D494 N497 T498 L501K255-Y491 HydrophobicContact CB-CD1 3.64Å; K255-Y491 HydrophobicContact CB-CE1 3.82Å; K255-Y491 HydrophobicContact CB-CG 4.12Å; K255-Y491 HydrophobicContact CD-CD1 4.44Å; K255-Y491 HydrophobicContact CD-CD2 4.2Å; K255-Y491 HydrophobicContact CD-CE1 4.24Å; K255-Y491 HydrophobicContact CD-CE2 3.99Å; K255-Y491 HydrophobicContact CD-CG 4.41Å; K255-Y491 VanDerWaalsContact NZ-CZ 3.26Å; K255-Y491 PolarHBondContact NZ-OH 2.96Å; G256-Y491 CarbonylContact O-C 3.56Å; G256-Y491 VanDerWaalsContact O-CA 3.26Å; G256-Y491 WeakPolarHBondContact O-CA 3.32Å; V257-Y491 HydrophobicContact CG2-CD1 3.92Å; V257-Y491 HydrophobicContact CG2-CE1 3.64Å; E433-Y491 HydrophobicContact CG-CE1 4.06Å; E433-Y491 WeakPolarHBondContact OE1-CE1 3.37Å; E433-Y491 PolarHBondContact OE1-OH 3.46Å; Y491-K493 PolarHBondContact O-N 3.25Å; Y491-D494 PolarHBondContact O-N 3.02Å; Y491-N497 HydrophobicContact CD2-CB 3.66Å; Y491-N497 HydrophobicContact CE2-CB 3.94Å; Y491-T498 PolarHBondContact N-OG1 3.28Å; Y491-L501 HydrophobicContact CD2-CD2 4.4Å; Y491-L501 HydrophobicContact CE1-CD2 4.5Å; Y491-L501 HydrophobicContact CE2-CB 4.02Å; Y491-L501 HydrophobicContact CE2-CD2 3.79Å; Y491-L501 HydrophobicContact CE2-CG 4.37Å
492Y96.7Very high96Very high11 Ų1155 Ų554%0.04329%0.288CS..THydrogen-bonded Turntrans-61.9122.8-179-179.9-102.3000111.1D121 L166 T167 I244 G256 M258 D494D121-Y492 WeakPolarHBondContact OD2-CE2 3.48Å; D121-Y492 PolarHBondContact OD2-OH 3.5Å; L166-Y492 HydrophobicContact CD2-CD1 4.43Å; L166-Y492 HydrophobicContact CG-CD1 4.19Å; L166-Y492 HydrophobicContact CG-CE1 4.45Å; T167-Y492 HydrophobicContact CG2-CD1 4.36Å; T167-Y492 HydrophobicContact CG2-CE1 4.13Å; I244-Y492 HydrophobicContact CD1-CD1 4.05Å; I244-Y492 HydrophobicContact CD1-CD2 3.6Å; I244-Y492 HydrophobicContact CD1-CE1 4.18Å; I244-Y492 HydrophobicContact CD1-CE2 3.75Å; I244-Y492 HydrophobicContact CD1-CG 3.75Å; I244-Y492 HydrophobicContact CG1-CD2 4.35Å; I244-Y492 HydrophobicContact CG1-CG 4.44Å; I244-Y492 HydrophobicContact CG2-CG 4.33Å; G256-Y492 PolarHBondContact O-N 3.19Å; M258-Y492 HydrophobicContact CG-CD2 4.34Å; M258-Y492 HydrophobicContact SD-CD2 4.16Å; Y492-D494 PolarHBondContact O-N 3.01Å; Y492-D494 VanDerWaalsContact O-N 3.17Å
493K95.6Very high95.9Very high96 Ų9656.9 Ų56.942%0.41730%0.298SS..THydrogen-bonded Turntrans52.429.5-176.5-64.6179178.7166.90114.1L166 E168 Y491L166-K493 HydrophobicContact CD1-CB 4.01Å; L166-K493 HydrophobicContact CD1-CD 4.4Å; L166-K493 PolarHBondContact O-NZ 3.24Å; E168-K493 IonicContact OE1-NZ 2.88Å; E168-K493 PolarHBondContact OE1-NZ 2.9Å; Y491-K493 PolarHBondContact O-N 3.25Å
494D94.9Very high95.8Very high36 Ų3659 Ų5919%0.19332%0.323CS..BIsolated β-bridgetrans-136.777.3-179.3-174.3-8.1000111.9Y491 Y492 Q496 N497 T498Y491-D494 PolarHBondContact O-N 3.02Å; Y492-D494 PolarHBondContact O-N 3.01Å; Y492-D494 VanDerWaalsContact O-N 3.17Å; D494-Q496 VanDerWaalsContact C-N 3.29Å; D494-Q496 PolarHBondContact O-N 3.42Å; D494-N497 WeakPolarHBondContact OD1-CB 2.91Å; D494-N497 PolarHBondContact OD1-N 3.26Å; D494-N497 PolarHBondContact OD1-ND2 3.2Å; D494-N497 WeakPolarHBondContact OD2-CB 3.34Å; D494-N497 PolarHBondContact OD2-ND2 3.43Å; D494-T498 WeakPolarHBondContact O-CB 2.99Å; D494-T498 PolarHBondContact O-N 2.98Å; D494-T498 VanDerWaalsContact O-N 3.15Å; D494-T498 PolarHBondContact O-OG1 2.83Å
495P96.4Very high95.8Very high103 Ų10362.7 Ų62.767%0.66934%0.336SS*.Hα-helixtrans-67.4-28-177.926.4-34.3000113.1T498 A499P495-T498 PolarHBondContact O-N 2.89Å; P495-A499 WeakPolarHBondContact O-CB 3.43Å; P495-A499 PolarHBondContact O-N 3.08Å
496Q94Very high95.9Very high155 Ų15555.8 Ų55.872%0.72432%0.316SS*.Hα-helixtrans-69.8-53-178-66.6179.68.800111D494 T498 A499 L500D494-Q496 VanDerWaalsContact C-N 3.29Å; D494-Q496 PolarHBondContact O-N 3.42Å; Q496-T498 PolarHBondContact O-N 3.33Å; Q496-A499 PolarHBondContact O-N 3.24Å; Q496-L500 WeakPolarHBondContact O-CG 3.28Å; Q496-L500 PolarHBondContact O-N 2.92Å
497N92.3Very high96.1Very high45 Ų4556.7 Ų56.724%0.24132%0.319CS..Hα-helixtrans-69.7-24.1176.7-70.9-67.6000112.1K255 Y491 D494 L500 L501K255-N497 HydrophobicContact CD-CB 4.1Å; Y491-N497 HydrophobicContact CD2-CB 3.66Å; Y491-N497 HydrophobicContact CE2-CB 3.94Å; D494-N497 WeakPolarHBondContact OD1-CB 2.91Å; D494-N497 PolarHBondContact OD1-N 3.26Å; D494-N497 PolarHBondContact OD1-ND2 3.2Å; D494-N497 WeakPolarHBondContact OD2-CB 3.34Å; D494-N497 PolarHBondContact OD2-ND2 3.43Å; N497-L500 PolarHBondContact O-N 3.39Å; N497-L501 VanDerWaalsContact O-CB 3.31Å; N497-L501 WeakPolarHBondContact O-CB 3.46Å; N497-L501 PolarHBondContact O-N 3.48Å
498T96.1Very high96.1Very high28 Ų2856.4 Ų56.417%0.17232%0.317CS..Hα-helixtrans-64.6-46.4172.2-62.80000111.5Y491 D494 P495 Q496 L500 L501 I502Y491-T498 PolarHBondContact N-OG1 3.28Å; D494-T498 WeakPolarHBondContact O-CB 2.99Å; D494-T498 PolarHBondContact O-N 2.98Å; D494-T498 VanDerWaalsContact O-N 3.15Å; D494-T498 PolarHBondContact O-OG1 2.83Å; P495-T498 PolarHBondContact O-N 2.89Å; Q496-T498 PolarHBondContact O-N 3.33Å; T498-L500 VanDerWaalsContact C-N 3.26Å; T498-L500 PolarHBondContact O-N 3.33Å; T498-L501 WeakPolarHBondContact O-CB 3.26Å; T498-L501 PolarHBondContact O-N 2.9Å; T498-L501 VanDerWaalsContact O-N 3.12Å; T498-I502 PolarHBondContact O-N 3.3Å; T498-I502 VanDerWaalsContact O-N 3.08Å
499A96Very high96Very high73 Ų7358.6 Ų58.660%0.60333%0.327SS*.Hα-helixtrans-67.4-25.6177.300000113.3P495 Q496P495-A499 WeakPolarHBondContact O-CB 3.43Å; P495-A499 PolarHBondContact O-N 3.08Å; Q496-A499 PolarHBondContact O-N 3.24Å
500L92.7Very high95.9Very high136 Ų13653.9 Ų53.971%0.71231%0.308SS*.Hα-helixtrans-78.7-26.1171.8-67.1175.3000113Q496 N497 T498Q496-L500 WeakPolarHBondContact O-CG 3.28Å; Q496-L500 PolarHBondContact O-N 2.92Å; N497-L500 PolarHBondContact O-N 3.39Å; T498-L500 VanDerWaalsContact C-N 3.26Å; T498-L500 PolarHBondContact O-N 3.33Å
501L95.5Very high95.6Very high12 Ų1254.9 Ų54.96%0.06332%0.318CS..Hα-helixtrans-79.3-40.7-179.8175.667.9000111.8E433 T488 Y491 N497 T498 L508 H509E433-L501 HydrophobicContact CB-CD1 4.38Å; E433-L501 HydrophobicContact CB-CD2 4.25Å; E433-L501 HydrophobicContact CG-CD1 4.07Å; E433-L501 HydrophobicContact CG-CD2 3.79Å; T488-L501 HydrophobicContact CG2-CD2 3.8Å; Y491-L501 HydrophobicContact CD2-CD2 4.4Å; Y491-L501 HydrophobicContact CE1-CD2 4.5Å; Y491-L501 HydrophobicContact CE2-CB 4.02Å; Y491-L501 HydrophobicContact CE2-CD2 3.79Å; Y491-L501 HydrophobicContact CE2-CG 4.37Å; N497-L501 VanDerWaalsContact O-CB 3.31Å; N497-L501 WeakPolarHBondContact O-CB 3.46Å; N497-L501 PolarHBondContact O-N 3.48Å; T498-L501 WeakPolarHBondContact O-CB 3.26Å; T498-L501 PolarHBondContact O-N 2.9Å; T498-L501 VanDerWaalsContact O-N 3.12Å; L501-L508 HydrophobicContact CD1-CD1 4.28Å; L501-L508 HydrophobicContact CD1-CD2 3.86Å; L501-L508 HydrophobicContact CD1-CG 3.8Å; L501-L508 HydrophobicContact CD2-CD1 4.25Å; L501-L508 HydrophobicContact CG-CD1 4.21Å; L501-L508 HydrophobicContact CG-CG 3.97Å; L501-L508 CarbonylContact O-C 3.55Å; L501-L508 WeakPolarHBondContact O-CA 3.35Å; L501-H509 PolarHBondContact O-N 3.35Å
502I97.8Very high95.3Very high41 Ų4154.6 Ų54.621%0.2132%0.317CS..BIsolated β-bridgetrans-121.1118-172.5-52175.5000109.1T488 T498 W507T488-I502 WeakPolarHBondContact O-CD1 3.25Å; T498-I502 PolarHBondContact O-N 3.3Å; T498-I502 VanDerWaalsContact O-N 3.08Å; I502-W507 WeakPolarHBondContact CA-O 3.37Å
503D96.5Very high95Very high40 Ų4054 Ų5421%0.21432%0.315CS..  trans-71.3172.3177.974.814.4000112.8K461 D505 G506 W507 H509K461-D503 IonicContact NZ-OD2 2.7Å; D503-D505 PolarHBondContact O-N 3.46Å; D503-D505 VanDerWaalsContact OD1-C 3.3Å; D503-D505 WeakPolarHBondContact OD1-CA 3.29Å; D503-D505 WeakPolarHBondContact OD1-CB 3.37Å; D503-D505 PolarHBondContact OD1-N 3.42Å; D503-G506 PolarHBondContact O-N 3.07Å; D503-G506 PolarHBondContact OD1-N 3.03Å; D503-W507 PolarHBondContact N-O 2.95Å; D503-W507 PolarHBondContact OD1-N 2.93Å; D503-W507 WeakPolarHBondContact OD2-CB 3.33Å; D503-H509 IonicContact OD2-NE2 3.74Å
504S96Very high94.9Very high125 Ų12549.5 Ų49.587%0.87430%0.295SS*.THydrogen-bonded Turntrans-62.4-21.3179.255.70000114.1G506S504-G506 VanDerWaalsContact C-N 3.3Å
505D95.6Very high94.9Very high104 Ų10449.6 Ų49.656%0.55629%0.294SS*.THydrogen-bonded Turntrans-89.2-0.4176.9-69.9-27.3000111.8K483 D503K483-D505 WeakPolarHBondContact CE-O 3.24Å; K483-D505 PolarHBondContact NZ-O 2.61Å; D503-D505 PolarHBondContact O-N 3.46Å; D503-D505 VanDerWaalsContact OD1-C 3.3Å; D503-D505 WeakPolarHBondContact OD1-CA 3.29Å; D503-D505 WeakPolarHBondContact OD1-CB 3.37Å; D503-D505 PolarHBondContact OD1-N 3.42Å
506G96.4Very high94.8Very high32 Ų3245.8 Ų45.833%0.3327%0.266SS..SBendtrans80.519.3179.300000114.3D503 S504D503-G506 PolarHBondContact O-N 3.07Å; D503-G506 PolarHBondContact OD1-N 3.03Å; S504-G506 VanDerWaalsContact C-N 3.3Å
507W98.1Very high94.9Very high18 Ų1839.4 Ų39.47%0.06824%0.238CC..  trans-85.5129.6172-65.691.2000110.8A45 E459 K461 C481 K483 I502 D503 H509A45-W507 HydrophobicContact CB-CH2 3.84Å; A45-W507 HydrophobicContact CB-CZ2 4.14Å; E459-W507 HydrophobicContact CB-CH2 3.98Å; E459-W507 HydrophobicContact CB-CZ3 4.25Å; K461-W507 HydrophobicContact CB-CH2 4.08Å; K461-W507 HydrophobicContact CB-CZ3 4.11Å; K461-W507 HydrophobicContact CD-CD2 3.68Å; K461-W507 HydrophobicContact CD-CE3 4.01Å; K461-W507 HydrophobicContact CD-CG 4.19Å; K461-W507 HydrophobicContact CD-CH2 4.2Å; K461-W507 HydrophobicContact CD-CZ2 3.86Å; K461-W507 HydrophobicContact CD-CZ3 4.26Å; K461-W507 VanDerWaalsContact CE-CD2 3.44Å; K461-W507 VanDerWaalsContact CE-CG 3.41Å; K461-W507 HydrophobicContact CG-CD2 4.02Å; K461-W507 HydrophobicContact CG-CE3 3.8Å; K461-W507 HydrophobicContact CG-CH2 4.07Å; K461-W507 HydrophobicContact CG-CZ2 4.26Å; K461-W507 HydrophobicContact CG-CZ3 3.82Å; K461-W507 VanDerWaalsContact NZ-CG 3.3Å; C481-W507 HydrophobicContact CB-CB 4.2Å; C481-W507 HydrophobicContact CB-CD2 4.47Å; C481-W507 HydrophobicContact CB-CE3 4Å; K483-W507 HydrophobicContact CB-CD2 3.92Å; K483-W507 HydrophobicContact CB-CE3 3.56Å; K483-W507 HydrophobicContact CB-CH2 4.05Å; K483-W507 HydrophobicContact CB-CZ2 4.38Å; K483-W507 HydrophobicContact CB-CZ3 3.63Å; K483-W507 HydrophobicContact CD-CD2 4.31Å; K483-W507 HydrophobicContact CD-CZ2 4.3Å; I502-W507 WeakPolarHBondContact CA-O 3.37Å; D503-W507 PolarHBondContact N-O 2.95Å; D503-W507 PolarHBondContact OD1-N 2.93Å; D503-W507 WeakPolarHBondContact OD2-CB 3.33Å; W507-H509 PolarHBondContact O-CD2 3.12Å
508L98.3Very high94.9Very high3 Ų342.8 Ų42.82%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-85.7121172.9-169149.7000110E433 T434 C481 V482 C487 T488 L501 T510E433-L508 HydrophobicContact CB-CD1 3.78Å; E433-L508 HydrophobicContact CB-CD2 4.22Å; T434-L508 HydrophobicContact CG2-CD2 3.95Å; C481-L508 CarbonylContact C-O 3.57Å; C481-L508 VanDerWaalsContact CA-O 3.29Å; C481-L508 WeakPolarHBondContact CA-O 3.39Å; V482-L508 PolarHBondContact N-O 3.17Å; V482-L508 VanDerWaalsContact O-CB 3.28Å; V482-L508 WeakPolarHBondContact O-CB 3.29Å; V482-L508 PolarHBondContact O-N 2.88Å; C487-L508 HydrophobicContact CB-CD1 4.06Å; T488-L508 HydrophobicContact CG2-CD1 3.99Å; L501-L508 HydrophobicContact CD1-CD1 4.28Å; L501-L508 HydrophobicContact CD1-CD2 3.86Å; L501-L508 HydrophobicContact CD1-CG 3.8Å; L501-L508 HydrophobicContact CD2-CD1 4.25Å; L501-L508 HydrophobicContact CG-CD1 4.21Å; L501-L508 HydrophobicContact CG-CG 3.97Å; L501-L508 CarbonylContact O-C 3.55Å; L501-L508 WeakPolarHBondContact O-CA 3.35Å; L508-T510 HydrophobicContact CD2-CG2 4.19Å
509H96.9Very high94.9Very high50 Ų5043.6 Ų43.623%0.23127%0.267CS..EExtended strand (participates in β ladder)trans-85.4112.8178.6-71.8-99.5000110.3E479 L501 D503 W507 G511E479-H509 WeakPolarHBondContact OE1-CB 3.47Å; E479-H509 IonicContact OE1-ND1 2.71Å; E479-H509 IonicContact OE2-CE1 3.18Å; E479-H509 IonicContact OE2-CG 3.49Å; E479-H509 IonicContact OE2-ND1 3.63Å; E479-H509 PolarHBondContact OE2-ND1 3.32Å; L501-H509 PolarHBondContact O-N 3.35Å; D503-H509 IonicContact OD2-NE2 3.74Å; W507-H509 PolarHBondContact O-CD2 3.12Å; H509-G511 VanDerWaalsContact C-N 3.31Å
510T94.2Very high94.9Very high14 Ų1440.2 Ų40.29%0.08624%0.24CC..EExtended strand (participates in β ladder)trans-80.3-15.7-176.578.20000112.9I480 V482 L508 D512 R527I480-T510 HydrophobicContact CG2-CG2 4.36Å; I480-T510 WeakPolarHBondContact O-CG2 3.47Å; I480-T510 PolarHBondContact O-N 3.2Å; I480-T510 PolarHBondContact O-OG1 3.45Å; V482-T510 HydrophobicContact CG2-CG2 3.85Å; L508-T510 HydrophobicContact CD2-CG2 4.19Å; T510-D512 WeakPolarHBondContact CB-OD2 3.47Å; T510-D512 PolarHBondContact O-N 3.24Å; T510-D512 WeakPolarHBondContact OG1-CB 3.17Å; T510-D512 PolarHBondContact OG1-N 3.01Å; T510-D512 PolarHBondContact OG1-OD2 3.48Å; T510-R527 PolarHBondContact O-NH1 3.25Å
511G90.4Very high95Very high20 Ų2033.8 Ų33.821%0.20621%0.206CC..EExtended strand (participates in β ladder)trans70.513.3-170.800000113.8E479 H509 R527 V528E479-G511 VanDerWaalsContact OE1-CA 3.24Å; E479-G511 WeakPolarHBondContact OE1-CA 3.21Å; E479-G511 PolarHBondContact OE1-N 2.76Å; H509-G511 VanDerWaalsContact C-N 3.31Å; G511-R527 CarbonylContact O-C 3.48Å; G511-R527 WeakPolarHBondContact O-CA 3.21Å; G511-R527 WeakPolarHBondContact O-CD 3.39Å; G511-V528 PolarHBondContact O-N 3.02Å
512D90.9Very high95Very high4 Ų433.2 Ų33.22%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-106.9142.2176.6-59.7-82.6000110.4F429 E479 I480 T510 L524 D526 R527F429-D512 HydrophobicContact CE2-CB 4.19Å; F429-D512 HydrophobicContact CZ-CB 4Å; E479-D512 CarbonylContact C-O 3.55Å; E479-D512 VanDerWaalsContact CA-O 3.32Å; E479-D512 WeakPolarHBondContact CA-O 3.27Å; I480-D512 HydrophobicContact CD1-CB 4Å; I480-D512 PolarHBondContact N-O 3.06Å; T510-D512 WeakPolarHBondContact CB-OD2 3.47Å; T510-D512 PolarHBondContact O-N 3.24Å; T510-D512 WeakPolarHBondContact OG1-CB 3.17Å; T510-D512 PolarHBondContact OG1-N 3.01Å; T510-D512 PolarHBondContact OG1-OD2 3.48Å; D512-L524 HydrophobicContact CB-CD1 3.78Å; D512-D526 CarbonylContact C-O 3.55Å; D512-R527 VanDerWaalsContact OD1-CD 3.29Å; D512-R527 WeakPolarHBondContact OD1-CD 3.43Å; D512-R527 IonicContact OD1-CZ 3.87Å; D512-R527 IonicContact OD1-NE 2.72Å; D512-R527 PolarHBondContact OD1-NE 2.92Å; D512-R527 IonicContact OD1-NH1 3.73Å; D512-R527 IonicContact OD1-NH2 2.8Å; D512-R527 PolarHBondContact OD1-NH2 2.92Å; D512-R527 IonicContact OD2-CZ 2.82Å; D512-R527 IonicContact OD2-NH1 2.82Å; D512-R527 IonicContact OD2-NH2 2.58Å; D512-R527 PolarHBondContact OD2-NH2 3.09Å
513I90.8Very high94.6Very high0 Ų033.2 Ų33.20%020%0.203CC..EExtended strand (participates in β ladder)trans-93.2131172.1-58.6-57.9000109.4V465 L470 R477 G478 E479 V525 D526 V528 I531V465-I513 HydrophobicContact CG2-CD1 3.78Å; L470-I513 HydrophobicContact CD1-CD1 4.13Å; L470-I513 HydrophobicContact CD1-CG1 4.42Å; L470-I513 HydrophobicContact CD1-CG2 4.26Å; R477-I513 HydrophobicContact CB-CG2 4.41Å; G478-I513 WeakPolarHBondContact O-CA 3.35Å; E479-I513 HydrophobicContact CB-CD1 4.33Å; I513-V525 HydrophobicContact CB-CB 4.22Å; I513-V525 HydrophobicContact CG2-CB 3.9Å; I513-V525 HydrophobicContact CG2-CG1 4.34Å; I513-V525 HydrophobicContact CG2-CG2 4.25Å; I513-V525 PolarHBondContact O-N 3.05Å; I513-D526 PolarHBondContact N-O 3.27Å; I513-V528 HydrophobicContact CD1-CB 4.48Å; I513-V528 HydrophobicContact CD1-CG2 3.5Å; I513-V528 VanDerWaalsContact CD1-CG2 3.5Å; I513-V528 HydrophobicContact CG1-CG2 4.12Å; I513-I531 HydrophobicContact CB-CD1 4.11Å; I513-I531 HydrophobicContact CG1-CD1 3.59Å; I513-I531 HydrophobicContact CG2-CD1 4.47Å
514G93.4Very high94.1Very high0 Ų033.6 Ų33.60%021%0.205CC..EExtended strand (participates in β ladder)trans-126164176.100000113L462 R477 G478 M523L462-G514 WeakPolarHBondContact CD1-O 3.41Å; R477-G514 WeakPolarHBondContact CA-O 3.49Å; G478-G514 PolarHBondContact N-O 2.83Å; G478-G514 PolarHBondContact O-N 2.95Å; G514-M523 WeakPolarHBondContact CA-O 3.19Å
515E94.3Very high93.4Very high38 Ų3828.8 Ų28.818%0.17817%0.17CC..EExtended strand (participates in β ladder)trans-135.4152.5167.462.9-177.4-138.300110.8N476 R477 M523 V525N476-E515 VanDerWaalsContact O-CA 3.28Å; N476-E515 WeakPolarHBondContact O-CA 3.36Å; N476-E515 WeakPolarHBondContact O-CB 3.49Å; R477-E515 HydrophobicContact CG-CB 3.99Å; R477-E515 IonicContact CZ-OE2 2.78Å; R477-E515 IonicContact NE-OE2 3.31Å; R477-E515 PolarHBondContact NE-OE2 3.48Å; R477-E515 IonicContact NH2-OE2 2.91Å; R477-E515 PolarHBondContact NH2-OE2 3.27Å; E515-M523 HydrophobicContact CG-CB 4.01Å; E515-M523 HydrophobicContact CG-CE 3.72Å; E515-M523 PolarHBondContact N-O 2.91Å; E515-M523 PolarHBondContact O-N 2.87Å; E515-M523 WeakPolarHBondContact OE1-CE 3.37Å; E515-V525 HydrophobicContact CB-CG2 4.3Å; E515-V525 HydrophobicContact CG-CG2 3.93Å
516W95.5Very high92.5Very high23 Ų2324 Ų249%0.08714%0.144CC..EExtended strand (participates in β ladder)trans-90.9135176.8-67.7114.9000111.5R46 V454 V460 L462 N476 L522R46-W516 HydrophobicContact CB-CH2 4.04Å; R46-W516 HydrophobicContact CB-CZ2 4.01Å; R46-W516 VanDerWaalsContact CD-CE2 3.42Å; R46-W516 VanDerWaalsContact CD-CZ2 3.41Å; R46-W516 HydrophobicContact CG-CZ2 4.24Å; R46-W516 VanDerWaalsContact NH1-CG 3.25Å; V454-W516 HydrophobicContact CG2-CH2 3.73Å; V454-W516 HydrophobicContact CG2-CZ3 4.06Å; V460-W516 HydrophobicContact CB-CH2 4.18Å; V460-W516 HydrophobicContact CB-CZ2 4.33Å; V460-W516 HydrophobicContact CG1-CH2 4.05Å; V460-W516 HydrophobicContact CG1-CZ2 4.01Å; L462-W516 HydrophobicContact CD1-CG 4.32Å; N476-W516 PolarHBondContact ND2-O 2.87Å; W516-L522 HydrophobicContact CD2-CD1 4.21Å; W516-L522 HydrophobicContact CE3-CB 4.31Å; W516-L522 HydrophobicContact CE3-CD1 4.04Å; W516-L522 HydrophobicContact CH2-CD1 4.15Å; W516-L522 HydrophobicContact CZ2-CD1 4.3Å; W516-L522 HydrophobicContact CZ3-CB 3.96Å; W516-L522 HydrophobicContact CZ3-CD1 4.02Å
517T94.9Very high91.5Very high21 Ų2126.3 Ų26.313%0.12914%0.143CC..  trans-75.5166164.481.70000111.2E519 G520 S521 M523T517-E519 WeakPolarHBondContact CB-OE2 3.43Å; T517-E519 PolarHBondContact O-N 3.21Å; T517-E519 PolarHBondContact OG1-N 3.39Å; T517-E519 PolarHBondContact OG1-OE2 3.45Å; T517-G520 PolarHBondContact O-N 3.04Å; T517-S521 PolarHBondContact N-O 2.78Å; T517-S521 WeakPolarHBondContact OG1-CB 3.35Å; T517-S521 PolarHBondContact OG1-N 2.98Å; T517-M523 HydrophobicContact CG2-CE 4.06Å; T517-M523 HydrophobicContact CG2-CG 3.56Å; T517-M523 HydrophobicContact CG2-SD 3.69Å
518S93.8Very high90.4Very high117 Ų11727 Ų2782%0.81815%0.149SC*.THydrogen-bonded Turntrans-60.6-28.9175.749.90000113G520S518-G520 VanDerWaalsContact C-N 3.26Å; S518-G520 PolarHBondContact O-N 2.98Å
519E95.1Very high89.1Confident44 Ų4434.3 Ų34.321%0.20618%0.181CC..THydrogen-bonded Turntrans-87.20.8178.1-51.495.3156.600113.2K34 Q35 R447 T517K34-E519 CarbonylContact C-O 3.55Å; K34-E519 WeakPolarHBondContact CA-O 3.47Å; Q35-E519 PolarHBondContact N-O 3.5Å; R447-E519 WeakPolarHBondContact CD-OE1 3.47Å; R447-E519 IonicContact CZ-OE1 2.93Å; R447-E519 IonicContact NE-OE1 2.72Å; R447-E519 IonicContact NH1-OE1 3.62Å; R447-E519 PolarHBondContact NH1-OE1 2.98Å; R447-E519 IonicContact NH1-OE2 3.17Å; T517-E519 WeakPolarHBondContact CB-OE2 3.43Å; T517-E519 PolarHBondContact O-N 3.21Å; T517-E519 PolarHBondContact OG1-N 3.39Å; T517-E519 PolarHBondContact OG1-OE2 3.45Å
520G96Very high87.7Confident3 Ų332.4 Ų32.43%0.03117%0.173CC..SBendtrans80.121.2178.200000114.9Q35 S36 T517 S518Q35-G520 CarbonylContact C-O 3.55Å; S36-G520 WeakPolarHBondContact CB-O 3.38Å; S36-G520 WeakPolarHBondContact OG-CA 3.44Å; S36-G520 PolarHBondContact OG-O 3.37Å; T517-G520 PolarHBondContact O-N 3.04Å; S518-G520 VanDerWaalsContact C-N 3.26Å; S518-G520 PolarHBondContact O-N 2.98Å
521S95.6Very high86.5Confident0 Ų032.4 Ų32.40%017%0.172CC..  trans-79.5150.1168.1-157.10000110Q35 G452 T517Q35-S521 VanDerWaalsContact OE1-CB 3.25Å; Q35-S521 PolarHBondContact OE1-OG 2.9Å; G452-S521 WeakPolarHBondContact CA-OG 3.48Å; G452-S521 PolarHBondContact N-OG 2.9Å; G452-S521 VanDerWaalsContact N-OG 3.13Å; G452-S521 WeakPolarHBondContact O-CA 3.44Å; G452-S521 PolarHBondContact O-OG 3.12Å; T517-S521 PolarHBondContact N-O 2.78Å; T517-S521 WeakPolarHBondContact OG1-CB 3.35Å; T517-S521 PolarHBondContact OG1-N 2.98Å
522L94.6Very high85.7Confident0 Ų032.3 Ų32.30%017%0.166CC..EExtended strand (participates in β ladder)trans-88.1140.7172.7-167.465.3000109.9F429 T439 L451 G452 L462 I480 W516F429-L522 HydrophobicContact CD1-CD2 4.32Å; F429-L522 HydrophobicContact CE1-CD2 4.48Å; T439-L522 HydrophobicContact CG2-CB 3.79Å; T439-L522 HydrophobicContact CG2-CD2 3.73Å; T439-L522 HydrophobicContact CG2-CG 4.44Å; L451-L522 VanDerWaalsContact CB-O 3.25Å; L451-L522 WeakPolarHBondContact CB-O 3.41Å; L451-L522 PolarHBondContact N-O 3.03Å; G452-L522 PolarHBondContact O-N 3.05Å; G452-L522 VanDerWaalsContact O-N 3.1Å; L462-L522 HydrophobicContact CD2-CD1 4.19Å; I480-L522 HydrophobicContact CD1-CD2 3.79Å; I480-L522 HydrophobicContact CD1-CG 4.36Å; I480-L522 HydrophobicContact CG1-CD1 4.4Å; I480-L522 HydrophobicContact CG1-CD2 4.13Å; I480-L522 HydrophobicContact CG2-CD2 4.14Å; W516-L522 HydrophobicContact CD2-CD1 4.21Å; W516-L522 HydrophobicContact CE3-CB 4.31Å; W516-L522 HydrophobicContact CE3-CD1 4.04Å; W516-L522 HydrophobicContact CH2-CD1 4.15Å; W516-L522 HydrophobicContact CZ2-CD1 4.3Å; W516-L522 HydrophobicContact CZ3-CB 3.96Å; W516-L522 HydrophobicContact CZ3-CD1 4.02Å
523M89.9Confident84.6Confident42 Ų4236.6 Ų36.621%0.20719%0.185CC..EExtended strand (participates in β ladder)trans-118138.3167.2-61.7-164.7-57.800109.6G449 G514 E515 T517G449-M523 WeakPolarHBondContact O-CG 3.38Å; G514-M523 WeakPolarHBondContact CA-O 3.19Å; E515-M523 HydrophobicContact CG-CB 4.01Å; E515-M523 HydrophobicContact CG-CE 3.72Å; E515-M523 PolarHBondContact N-O 2.91Å; E515-M523 PolarHBondContact O-N 2.87Å; E515-M523 WeakPolarHBondContact OE1-CE 3.37Å; T517-M523 HydrophobicContact CG2-CE 4.06Å; T517-M523 HydrophobicContact CG2-CG 3.56Å; T517-M523 HydrophobicContact CG2-SD 3.69Å
524L85.7Confident83.8Confident48 Ų4836.8 Ų36.825%0.25119%0.185SC..EExtended strand (participates in β ladder)trans-81.7131.2173.6-163.168.8000109.1P408 F429 L451 I480 D512P408-L524 HydrophobicContact CG-CD2 4.01Å; F429-L524 HydrophobicContact CD2-CD1 4.1Å; F429-L524 HydrophobicContact CE2-CD1 3.73Å; F429-L524 HydrophobicContact CZ-CD1 4.34Å; L451-L524 HydrophobicContact CD1-CB 3.63Å; L451-L524 HydrophobicContact CD2-CB 4.3Å; L451-L524 HydrophobicContact CG-CB 4.22Å; I480-L524 HydrophobicContact CD1-CD1 3.99Å; D512-L524 HydrophobicContact CB-CD1 3.78Å
525V81.5Confident82.8Confident24 Ų2439.6 Ų39.615%0.14521%0.209CC..EExtended strand (participates in β ladder)trans-97.6-59.8175.3-178.70000109.9R477 I513 E515R477-V525 HydrophobicContact CG-CG2 4.48Å; I513-V525 HydrophobicContact CB-CB 4.22Å; I513-V525 HydrophobicContact CG2-CB 3.9Å; I513-V525 HydrophobicContact CG2-CG1 4.34Å; I513-V525 HydrophobicContact CG2-CG2 4.25Å; I513-V525 PolarHBondContact O-N 3.05Å; E515-V525 HydrophobicContact CB-CG2 4.3Å; E515-V525 HydrophobicContact CG-CG2 3.93Å
526D76.1Confident81.6Confident4 Ų441.9 Ų41.92%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-172.5-160.7178.3-149.3-67000110.1D512 I513 S530 I531 A541 P542 E543D512-D526 CarbonylContact C-O 3.55Å; I513-D526 PolarHBondContact N-O 3.27Å; D526-S530 VanDerWaalsContact OD1-CB 3.31Å; D526-S530 WeakPolarHBondContact OD1-CB 3.17Å; D526-I531 HydrophobicContact CB-CD1 3.86Å; D526-I531 HydrophobicContact CB-CG1 3.58Å; D526-A541 HydrophobicContact CB-CB 3.66Å; D526-A541 WeakPolarHBondContact OD2-CA 3.29Å; D526-A541 WeakPolarHBondContact OD2-CB 3.37Å; D526-P542 WeakPolarHBondContact OD2-CD 3.48Å; D526-E543 PolarHBondContact OD2-N 2.92Å
527R76.5Confident79.9Confident80 Ų8042 Ų4230%0.30223%0.228SC..EExtended strand (participates in β ladder)trans-101.5141.2173.2-71.1-84.2178177.1-26.2111.8T510 G511 D512 K529 S530 I531T510-R527 PolarHBondContact O-NH1 3.25Å; G511-R527 CarbonylContact O-C 3.48Å; G511-R527 WeakPolarHBondContact O-CA 3.21Å; G511-R527 WeakPolarHBondContact O-CD 3.39Å; D512-R527 VanDerWaalsContact OD1-CD 3.29Å; D512-R527 WeakPolarHBondContact OD1-CD 3.43Å; D512-R527 IonicContact OD1-CZ 3.87Å; D512-R527 IonicContact OD1-NE 2.72Å; D512-R527 PolarHBondContact OD1-NE 2.92Å; D512-R527 IonicContact OD1-NH1 3.73Å; D512-R527 IonicContact OD1-NH2 2.8Å; D512-R527 PolarHBondContact OD1-NH2 2.92Å; D512-R527 IonicContact OD2-CZ 2.82Å; D512-R527 IonicContact OD2-NH1 2.82Å; D512-R527 IonicContact OD2-NH2 2.58Å; D512-R527 PolarHBondContact OD2-NH2 3.09Å; R527-K529 PolarHBondContact O-N 2.75Å; R527-S530 WeakPolarHBondContact CB-OG 3.41Å; R527-S530 PolarHBondContact O-N 2.98Å; R527-I531 WeakPolarHBondContact O-CG1 3.23Å; R527-I531 PolarHBondContact O-N 3.03Å
528V74.1Confident78.9Confident31 Ų3144.9 Ų44.919%0.18824%0.24CC..THydrogen-bonded Turntrans-51.2-43.6175.8174.80000111.6V465 L468 E479 G511 I513V465-V528 HydrophobicContact CG1-CG1 4.04Å; L468-V528 HydrophobicContact CD1-CG1 4.38Å; E479-V528 HydrophobicContact CB-CG2 4.14Å; E479-V528 HydrophobicContact CG-CG2 4.07Å; G511-V528 PolarHBondContact O-N 3.02Å; I513-V528 HydrophobicContact CD1-CB 4.48Å; I513-V528 HydrophobicContact CD1-CG2 3.5Å; I513-V528 VanDerWaalsContact CD1-CG2 3.5Å; I513-V528 HydrophobicContact CG1-CG2 4.12Å
529K70.3Confident77.7Confident158 Ų15841.5 Ų41.569%0.68721%0.209SC*.THydrogen-bonded Turntrans-83.4-12.3-178.2-65.5-174.8179.3-178.10114.4R527R527-K529 PolarHBondContact O-N 2.75Å
530S69Low76.8Confident9 Ų939.4 Ų39.46%0.06320%0.2CC..THydrogen-bonded Turntrans-96.8-32.4-179.3-58.20000111.8D526 R527 F532 P542 E543 R653D526-S530 VanDerWaalsContact OD1-CB 3.31Å; D526-S530 WeakPolarHBondContact OD1-CB 3.17Å; R527-S530 WeakPolarHBondContact CB-OG 3.41Å; R527-S530 PolarHBondContact O-N 2.98Å; S530-F532 PolarHBondContact O-N 3.5Å; S530-P542 WeakPolarHBondContact O-CD 3.42Å; S530-P542 WeakPolarHBondContact O-CG 3.28Å; S530-E543 PolarHBondContact OG-OE1 3.04Å; S530-R653 WeakPolarHBondContact OG-CD 3.44Å
531I67.6Low76Confident15 Ų1539.7 Ų39.78%0.07720%0.202CC..  trans-61135176.3-66.9177.9000110.1L468 I513 D526 R527 Y539 V540L468-I531 HydrophobicContact CD1-CB 4.14Å; L468-I531 HydrophobicContact CD1-CD1 4.48Å; L468-I531 HydrophobicContact CD1-CG2 4.22Å; L468-I531 HydrophobicContact CD2-CG2 4.35Å; I513-I531 HydrophobicContact CB-CD1 4.11Å; I513-I531 HydrophobicContact CG1-CD1 3.59Å; I513-I531 HydrophobicContact CG2-CD1 4.47Å; D526-I531 HydrophobicContact CB-CD1 3.86Å; D526-I531 HydrophobicContact CB-CG1 3.58Å; R527-I531 WeakPolarHBondContact O-CG1 3.23Å; R527-I531 PolarHBondContact O-N 3.03Å; I531-Y539 HydrophobicContact CG2-CD1 3.79Å; I531-Y539 HydrophobicContact CG2-CG 4.36Å; I531-V540 WeakPolarHBondContact CA-O 3.38Å
532F73.7Confident75.6Confident17 Ų1739.7 Ų39.78%0.07520%0.202CC..EExtended strand (participates in β ladder)trans-124.3155.4168.954-99.7000110.8S530 L534 V540 P542 I560 A562 P569S530-F532 PolarHBondContact O-N 3.5Å; F532-L534 HydrophobicContact CD2-CD2 4.17Å; F532-L534 HydrophobicContact CE2-CD2 3.94Å; F532-V540 HydrophobicContact CD2-CB 3.97Å; F532-V540 HydrophobicContact CE1-CG1 4.36Å; F532-V540 HydrophobicContact CE2-CB 3.45Å; F532-V540 VanDerWaalsContact CE2-CB 3.45Å; F532-V540 HydrophobicContact CE2-CG1 3.78Å; F532-V540 HydrophobicContact CE2-CG2 3.91Å; F532-V540 HydrophobicContact CZ-CB 3.8Å; F532-V540 HydrophobicContact CZ-CG1 3.6Å; F532-V540 PolarHBondContact N-O 2.89Å; F532-V540 PolarHBondContact O-N 3.28Å; F532-P542 HydrophobicContact CD1-CG 4.27Å; F532-P542 HydrophobicContact CE1-CB 3.76Å; F532-P542 HydrophobicContact CE1-CG 3.92Å; F532-P542 HydrophobicContact CZ-CB 4.45Å; F532-I560 HydrophobicContact CZ-CG2 4.26Å; F532-A562 HydrophobicContact CD2-CB 3.53Å; F532-A562 HydrophobicContact CE2-CB 3.3Å; F532-A562 HydrophobicContact CG-CB 4.26Å; F532-A562 HydrophobicContact CZ-CB 3.87Å; F532-P569 HydrophobicContact CE2-CB 4.15Å; F532-P569 HydrophobicContact CZ-CB 3.9Å
533K67.3Low75Confident95 Ų9542.5 Ų42.541%0.41322%0.215SC..EExtended strand (participates in β ladder)trans-101.7129.1177.7-168180-172.41590109G537 Y539K533-G537 WeakPolarHBondContact CE-O 3.47Å; K533-Y539 HydrophobicContact CB-CD1 4Å; K533-Y539 HydrophobicContact CB-CE1 3.69Å; K533-Y539 HydrophobicContact CD-CE1 3.82Å; K533-Y539 HydrophobicContact CD-CE2 4.39Å; K533-Y539 WeakPolarHBondContact CD-OH 3.42Å; K533-Y539 VanDerWaalsContact CE-OH 3.27Å; K533-Y539 WeakPolarHBondContact CE-OH 3.3Å; K533-Y539 HydrophobicContact CG-CD1 4.21Å; K533-Y539 HydrophobicContact CG-CE1 3.73Å; K533-Y539 HydrophobicContact CG-CE2 4.37Å; K533-Y539 PolarHBondContact NZ-OH 3.35Å
534L73.9Confident74.5Confident3 Ų344.9 Ų44.92%0.01622%0.221CC..  trans-81.6165.5172.7-62.3173.1000110.5F532 Q536 G537 E538 V540 A562 S566 T567 F625F532-L534 HydrophobicContact CD2-CD2 4.17Å; F532-L534 HydrophobicContact CE2-CD2 3.94Å; L534-Q536 VanDerWaalsContact C-N 3.25Å; L534-Q536 PolarHBondContact O-N 3.07Å; L534-G537 WeakPolarHBondContact O-CA 3.25Å; L534-G537 PolarHBondContact O-N 2.96Å; L534-E538 PolarHBondContact N-O 2.79Å; L534-V540 HydrophobicContact CD1-CG2 3.46Å; L534-V540 VanDerWaalsContact CD1-CG2 3.46Å; L534-V540 HydrophobicContact CD2-CG2 4.46Å; L534-V540 HydrophobicContact CG-CG2 3.85Å; L534-A562 HydrophobicContact CD2-CB 3.9Å; L534-S566 CarbonylContact C-O 3.59Å; L534-S566 WeakPolarHBondContact CA-O 3.22Å; L534-S566 WeakPolarHBondContact CB-O 3.35Å; L534-S566 WeakPolarHBondContact CD2-O 3.38Å; L534-T567 WeakPolarHBondContact CD1-O 3.43Å; L534-F625 HydrophobicContact CD1-CB 3.98Å; L534-F625 HydrophobicContact CD1-CD2 4.09Å; L534-F625 HydrophobicContact CD1-CG 4.49Å; L534-F625 WeakPolarHBondContact CD1-O 3.39Å
535A73.6Confident74.5Confident59 Ų5942.6 Ų42.649%0.48821%0.209SC..THydrogen-bonded Turntrans-57.9-34.1-174.700000114.2G537 K565 S566 T567A535-G537 PolarHBondContact O-N 3.25Å; A535-K565 WeakPolarHBondContact CB-O 3.28Å; A535-S566 PolarHBondContact N-O 3.45Å; A535-T567 HydrophobicContact CB-CG2 4.18Å
536Q68.1Low74.9Confident87 Ų8742.3 Ų42.341%0.40721%0.206SC..THydrogen-bonded Turntrans-74.1-2.1175.367.2-86.925.900113.9L534 E538 T567 F625L534-Q536 VanDerWaalsContact C-N 3.25Å; L534-Q536 PolarHBondContact O-N 3.07Å; Q536-E538 HydrophobicContact CG-CB 3.99Å; Q536-E538 HydrophobicContact CG-CG 3.7Å; Q536-T567 PolarHBondContact NE2-O 3.02Å; Q536-T567 VanDerWaalsContact OE1-CA 3.27Å; Q536-T567 PolarHBondContact OE1-O 3.09Å; Q536-F625 VanDerWaalsContact NE2-CB 3.3Å
537G60.8Low75.2Confident25 Ų2543.9 Ų43.926%0.25822%0.22SC..SBendtrans87.3-0178.300000115.7K533 L534 A535 Y539K533-G537 WeakPolarHBondContact CE-O 3.47Å; L534-G537 WeakPolarHBondContact O-CA 3.25Å; L534-G537 PolarHBondContact O-N 2.96Å; A535-G537 PolarHBondContact O-N 3.25Å; G537-Y539 VanDerWaalsContact O-CE2 3.29Å; G537-Y539 WeakPolarHBondContact O-CE2 3.48Å
538E72.8Confident75.5Confident82 Ų8240.9 Ų40.938%0.38321%0.21SC..  trans-71142.2173.2-68-68.2165.400111L534 Q536 F625L534-E538 PolarHBondContact N-O 2.79Å; Q536-E538 HydrophobicContact CG-CB 3.99Å; Q536-E538 HydrophobicContact CG-CG 3.7Å; E538-F625 HydrophobicContact CB-CD1 4.1Å; E538-F625 HydrophobicContact CB-CD2 3.86Å; E538-F625 HydrophobicContact CB-CE1 4.1Å; E538-F625 HydrophobicContact CB-CE2 3.9Å; E538-F625 HydrophobicContact CB-CG 3.97Å; E538-F625 HydrophobicContact CB-CZ 4Å; E538-F625 HydrophobicContact CG-CD1 3.74Å; E538-F625 HydrophobicContact CG-CD2 4.42Å; E538-F625 HydrophobicContact CG-CE1 3.74Å; E538-F625 HydrophobicContact CG-CE2 4.45Å; E538-F625 HydrophobicContact CG-CG 4.08Å; E538-F625 HydrophobicContact CG-CZ 4.11Å; E538-F625 WeakPolarHBondContact OE2-CE1 3.38Å; E538-F625 VanDerWaalsContact OE2-CZ 3.28Å; E538-F625 WeakPolarHBondContact OE2-CZ 3.42Å
539Y69.4Low76.2Confident46 Ų4639.4 Ų39.418%0.1820%0.201CC..EExtended strand (participates in β ladder)trans-99.1133.7178.5-65.7-88.7000110.5L468 I531 K533 G537L468-Y539 HydrophobicContact CB-CE1 4.06Å; L468-Y539 HydrophobicContact CD2-CE1 4.44Å; L468-Y539 WeakPolarHBondContact O-CE1 3.13Å; L468-Y539 PolarHBondContact O-OH 2.91Å; I531-Y539 HydrophobicContact CG2-CD1 3.79Å; I531-Y539 HydrophobicContact CG2-CG 4.36Å; K533-Y539 HydrophobicContact CB-CD1 4Å; K533-Y539 HydrophobicContact CB-CE1 3.69Å; K533-Y539 HydrophobicContact CD-CE1 3.82Å; K533-Y539 HydrophobicContact CD-CE2 4.39Å; K533-Y539 WeakPolarHBondContact CD-OH 3.42Å; K533-Y539 VanDerWaalsContact CE-OH 3.27Å; K533-Y539 WeakPolarHBondContact CE-OH 3.3Å; K533-Y539 HydrophobicContact CG-CD1 4.21Å; K533-Y539 HydrophobicContact CG-CE1 3.73Å; K533-Y539 HydrophobicContact CG-CE2 4.37Å; K533-Y539 PolarHBondContact NZ-OH 3.35Å; G537-Y539 VanDerWaalsContact O-CE2 3.29Å; G537-Y539 WeakPolarHBondContact O-CE2 3.48Å
540V76.7Confident77Confident0 Ų035.6 Ų35.60%019%0.186CC..EExtended strand (participates in β ladder)trans-109.5130.3175.8176.70000109.1I531 F532 L534 P542 L545 F625I531-V540 WeakPolarHBondContact CA-O 3.38Å; F532-V540 HydrophobicContact CD2-CB 3.97Å; F532-V540 HydrophobicContact CE1-CG1 4.36Å; F532-V540 HydrophobicContact CE2-CB 3.45Å; F532-V540 VanDerWaalsContact CE2-CB 3.45Å; F532-V540 HydrophobicContact CE2-CG1 3.78Å; F532-V540 HydrophobicContact CE2-CG2 3.91Å; F532-V540 HydrophobicContact CZ-CB 3.8Å; F532-V540 HydrophobicContact CZ-CG1 3.6Å; F532-V540 PolarHBondContact N-O 2.89Å; F532-V540 PolarHBondContact O-N 3.28Å; L534-V540 HydrophobicContact CD1-CG2 3.46Å; L534-V540 VanDerWaalsContact CD1-CG2 3.46Å; L534-V540 HydrophobicContact CD2-CG2 4.46Å; L534-V540 HydrophobicContact CG-CG2 3.85Å; V540-P542 WeakPolarHBondContact O-CD 3.38Å; V540-L545 HydrophobicContact CG1-CD1 3.51Å; V540-L545 HydrophobicContact CG1-CG 4.44Å; V540-F625 HydrophobicContact CG2-CD2 4.08Å; V540-F625 HydrophobicContact CG2-CE2 4.38Å
541A79.9Confident77.7Confident9 Ų938.7 Ų38.77%0.07421%0.207CC..  trans-93.492.6170.600000108.3D526 E543 R544 L545D526-A541 HydrophobicContact CB-CB 3.66Å; D526-A541 WeakPolarHBondContact OD2-CA 3.29Å; D526-A541 WeakPolarHBondContact OD2-CB 3.37Å; A541-E543 PolarHBondContact O-N 2.86Å; A541-R544 HydrophobicContact CB-CB 4.07Å; A541-R544 WeakPolarHBondContact O-CB 3.45Å; A541-R544 PolarHBondContact O-N 3.18Å; A541-L545 PolarHBondContact O-N 2.8Å
542P86.7Confident78.6Confident0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-70.4-31.6-171.329.9-36.5000113.3D526 S530 F532 V540 R544 L545 E546 I560 R653D526-P542 WeakPolarHBondContact OD2-CD 3.48Å; S530-P542 WeakPolarHBondContact O-CD 3.42Å; S530-P542 WeakPolarHBondContact O-CG 3.28Å; F532-P542 HydrophobicContact CD1-CG 4.27Å; F532-P542 HydrophobicContact CE1-CB 3.76Å; F532-P542 HydrophobicContact CE1-CG 3.92Å; F532-P542 HydrophobicContact CZ-CB 4.45Å; V540-P542 WeakPolarHBondContact O-CD 3.38Å; P542-R544 PolarHBondContact O-N 3.05Å; P542-L545 PolarHBondContact O-N 3.41Å; P542-L545 VanDerWaalsContact O-N 3.08Å; P542-E546 WeakPolarHBondContact O-CB 3.39Å; P542-E546 VanDerWaalsContact O-CG 3.24Å; P542-E546 WeakPolarHBondContact O-CG 3.42Å; P542-E546 PolarHBondContact O-N 2.84Å; P542-I560 HydrophobicContact CB-CB 4.09Å; P542-I560 HydrophobicContact CB-CG2 4.07Å; P542-R653 VanDerWaalsContact CG-NH2 3.28Å
543E82.4Confident79.3Confident59 Ų5941.2 Ų41.228%0.27623%0.228SC..Hα-helixtrans-65.1-35.5180-68.8-179.4-16400110.6D526 S530 A541 A547 R653D526-E543 PolarHBondContact OD2-N 2.92Å; S530-E543 PolarHBondContact OG-OE1 3.04Å; A541-E543 PolarHBondContact O-N 2.86Å; E543-A547 WeakPolarHBondContact O-CB 3.2Å; E543-A547 PolarHBondContact O-N 3.48Å; E543-R653 VanDerWaalsContact CG-NH1 3.35Å
544R79.3Confident80.5Confident92 Ų9237.4 Ų37.435%0.34721%0.212SC..Hα-helixtrans-61.9-43.1172.5-170.2-172.173.980-5.8111.8A541 P542 L548 E626A541-R544 HydrophobicContact CB-CB 4.07Å; A541-R544 WeakPolarHBondContact O-CB 3.45Å; A541-R544 PolarHBondContact O-N 3.18Å; P542-R544 PolarHBondContact O-N 3.05Å; R544-L548 WeakPolarHBondContact O-CB 3.43Å; R544-L548 PolarHBondContact O-N 2.88Å; R544-E626 IonicContact CZ-OE1 2.85Å; R544-E626 IonicContact NH2-OE1 3.27Å; R544-E626 PolarHBondContact NH2-OE1 3.35Å; R544-E626 IonicContact NH2-OE2 2.93Å; R544-E626 PolarHBondContact NH2-OE2 3.24Å
545L85.5Confident81.5Confident0 Ų037.7 Ų37.70%021%0.213CC..Hα-helixtrans-71.5-45.4179.4-64.3-175000111.6V540 A541 P542 A547 L548 Y549 I560 P569 L622 E626V540-L545 HydrophobicContact CG1-CD1 3.51Å; V540-L545 HydrophobicContact CG1-CG 4.44Å; A541-L545 PolarHBondContact O-N 2.8Å; P542-L545 PolarHBondContact O-N 3.41Å; P542-L545 VanDerWaalsContact O-N 3.08Å; L545-A547 VanDerWaalsContact C-N 3.34Å; L545-A547 PolarHBondContact O-N 2.64Å; L545-L548 WeakPolarHBondContact O-CB 3.46Å; L545-L548 PolarHBondContact O-N 2.87Å; L545-Y549 HydrophobicContact CB-CD2 4.33Å; L545-Y549 HydrophobicContact CB-CE2 4.26Å; L545-Y549 WeakPolarHBondContact O-CD2 3.25Å; L545-Y549 PolarHBondContact O-N 3.15Å; L545-I560 HydrophobicContact CB-CD1 3.5Å; L545-I560 VanDerWaalsContact CB-CD1 3.5Å; L545-P569 HydrophobicContact CD1-CG 4.36Å; L545-L622 HydrophobicContact CD2-CD1 3.85Å; L545-L622 HydrophobicContact CD2-CD2 3.93Å; L545-E626 HydrophobicContact CD1-CB 4.3Å; L545-E626 WeakPolarHBondContact CD1-O 3.39Å; L545-E626 HydrophobicContact CD2-CB 4.12Å
546E89.7Confident82.4Confident17 Ų1737.5 Ų37.58%0.07921%0.209CC..Hα-helixtrans-55.3-52.1177-75.5163.5179.200110P542 L548 Y549 Q550 I558 I560 R653P542-E546 WeakPolarHBondContact O-CB 3.39Å; P542-E546 VanDerWaalsContact O-CG 3.24Å; P542-E546 WeakPolarHBondContact O-CG 3.42Å; P542-E546 PolarHBondContact O-N 2.84Å; E546-L548 PolarHBondContact O-N 3.1Å; E546-Y549 PolarHBondContact O-N 3Å; E546-Q550 WeakPolarHBondContact O-CB 3.13Å; E546-Q550 PolarHBondContact O-N 2.92Å; E546-I558 HydrophobicContact CB-CG2 4.11Å; E546-I558 HydrophobicContact CG-CG2 4.34Å; E546-I560 HydrophobicContact CG-CB 3.86Å; E546-I560 HydrophobicContact CG-CD1 3.83Å; E546-I560 HydrophobicContact CG-CG1 3.66Å; E546-I560 PolarHBondContact OE1-N 3.28Å; E546-R653 VanDerWaalsContact CD-NH1 3.3Å; E546-R653 IonicContact OE1-CZ 3.77Å; E546-R653 VanDerWaalsContact OE1-CZ 3.29Å; E546-R653 IonicContact OE1-NH1 3.78Å; E546-R653 PolarHBondContact OE1-NH1 3.46Å; E546-R653 IonicContact OE1-NH2 3.25Å; E546-R653 PolarHBondContact OE1-NH2 3.47Å; E546-R653 IonicContact OE2-CZ 3.8Å; E546-R653 IonicContact OE2-NH1 3.81Å; E546-R653 PolarHBondContact OE2-NH1 3.1Å; E546-R653 IonicContact OE2-NH2 2.67Å
547A82.6Confident83.7Confident37 Ų3734.8 Ų34.831%0.30620%0.196SC..Hα-helixtrans-67.4-27.7-176.800000112.2M410 E543 L545M410-A547 HydrophobicContact CE-CB 3.08Å; M410-A547 VanDerWaalsContact CE-O 3.29Å; M410-A547 WeakPolarHBondContact CE-O 3.29Å; E543-A547 WeakPolarHBondContact O-CB 3.2Å; E543-A547 PolarHBondContact O-N 3.48Å; L545-A547 VanDerWaalsContact C-N 3.34Å; L545-A547 PolarHBondContact O-N 2.64Å
548L81.4Confident85.3Confident17 Ų1733.7 Ų33.79%0.08918%0.184CC..Hα-helixtrans-71.8-44.4171.7174.7157.3000112.3R544 L545 E546 S551 I616 R620 L622R544-L548 WeakPolarHBondContact O-CB 3.43Å; R544-L548 PolarHBondContact O-N 2.88Å; L545-L548 WeakPolarHBondContact O-CB 3.46Å; L545-L548 PolarHBondContact O-N 2.87Å; E546-L548 PolarHBondContact O-N 3.1Å; L548-S551 PolarHBondContact O-OG 3.3Å; L548-I616 HydrophobicContact CD2-CG2 3.45Å; L548-I616 VanDerWaalsContact CD2-CG2 3.45Å; L548-I616 HydrophobicContact CG-CG2 4.47Å; L548-R620 HydrophobicContact CD1-CB 3.76Å; L548-R620 HydrophobicContact CD1-CG 3.88Å; L548-R620 HydrophobicContact CD2-CG 4.37Å; L548-R620 HydrophobicContact CG-CG 4.15Å; L548-L622 HydrophobicContact CD1-CD1 4.32Å; L548-L622 HydrophobicContact CD1-CD2 3.86Å; L548-L622 HydrophobicContact CD1-CG 4.29Å; L548-L622 HydrophobicContact CD2-CD1 4.15Å
549Y89.6Confident86.4Confident1 Ų129.8 Ų29.80%0.00417%0.166CC..Hα-helixtrans-75.4-29.5179.3-71-59.9000112.8L545 E546 S551 C552 I558 I560 L613 I616 L622 L628L545-Y549 HydrophobicContact CB-CD2 4.33Å; L545-Y549 HydrophobicContact CB-CE2 4.26Å; L545-Y549 WeakPolarHBondContact O-CD2 3.25Å; L545-Y549 PolarHBondContact O-N 3.15Å; E546-Y549 PolarHBondContact O-N 3Å; Y549-S551 PolarHBondContact O-N 2.79Å; Y549-C552 WeakPolarHBondContact O-CB 3.11Å; Y549-C552 PolarHBondContact O-N 2.9Å; Y549-I558 HydrophobicContact CD2-CD1 4.38Å; Y549-I558 HydrophobicContact CG-CD1 4.35Å; Y549-I560 HydrophobicContact CD2-CD1 3.82Å; Y549-I560 HydrophobicContact CE2-CD1 4.21Å; Y549-L613 HydrophobicContact CD1-CB 4.5Å; Y549-L613 HydrophobicContact CD1-CD2 3.33Å; Y549-L613 HydrophobicContact CE1-CB 4.11Å; Y549-L613 HydrophobicContact CE1-CD2 3.78Å; Y549-L613 WeakPolarHBondContact CE1-O 3.14Å; Y549-L613 HydrophobicContact CG-CD2 3.82Å; Y549-I616 HydrophobicContact CD1-CB 4.27Å; Y549-I616 HydrophobicContact CD1-CD1 4.44Å; Y549-I616 HydrophobicContact CD1-CG2 3.9Å; Y549-I616 HydrophobicContact CE1-CB 4.21Å; Y549-I616 HydrophobicContact CE1-CG2 4.05Å; Y549-L622 HydrophobicContact CE2-CD1 4.35Å; Y549-L628 HydrophobicContact CD2-CD1 3.77Å; Y549-L628 HydrophobicContact CE2-CD1 3.53Å; Y549-L628 HydrophobicContact CE2-CG 3.85Å; Y549-L628 HydrophobicContact CG-CD1 4.38Å
550Q88.2Confident87.6Confident78 Ų7827.6 Ų27.636%0.36416%0.158SC..THydrogen-bonded Turntrans-60.9-14.8175.1-168.770.372.600112.8E546 C552 I555 S556 I558E546-Q550 WeakPolarHBondContact O-CB 3.13Å; E546-Q550 PolarHBondContact O-N 2.92Å; Q550-C552 PolarHBondContact O-N 3.37Å; Q550-I555 PolarHBondContact NE2-O 3.45Å; Q550-S556 PolarHBondContact NE2-O 3.48Å; Q550-I558 HydrophobicContact CB-CG2 4.28Å
551S82.4Confident88.3Confident73 Ų7327.7 Ų27.751%0.5116%0.158SC..THydrogen-bonded Turntrans-73-7.1171.481.70000113.6L548 Y549L548-S551 PolarHBondContact O-OG 3.3Å; Y549-S551 PolarHBondContact O-N 2.79Å
552C86.6Confident88.6Confident15 Ų1527.7 Ų27.710%0.10116%0.158CC..SBendtrans-77.6126.2175.7-174.50000110.5Y549 Q550 L554 I555 V612 I616Y549-C552 WeakPolarHBondContact O-CB 3.11Å; Y549-C552 PolarHBondContact O-N 2.9Å; Q550-C552 PolarHBondContact O-N 3.37Å; C552-L554 PolarHBondContact O-N 2.93Å; C552-I555 HydrophobicContact CB-CB 4.37Å; C552-I555 HydrophobicContact CB-CD1 3.95Å; C552-I555 HydrophobicContact CB-CG1 4.07Å; C552-I555 PolarHBondContact O-N 3.03Å; C552-V612 VanDerWaalsContact SG-CG1 3.56Å; C552-I616 HydrophobicContact CB-CD1 3.76Å
553S89.1Confident88.3Confident71 Ų7128.5 Ų28.550%0.49716%0.162SC..THydrogen-bonded Turntrans-60.8-28.9-179.958.90000113.5I555 N576S553-I555 PolarHBondContact O-N 3.44Å; S553-N576 VanDerWaalsContact O-CB 3.22Å; S553-N576 WeakPolarHBondContact O-CB 3.33Å; S553-N576 PolarHBondContact O-ND2 2.76Å
554L93.1Very high87.7Confident14 Ų1430.8 Ų30.87%0.07318%0.182CC..THydrogen-bonded Turntrans-70.3-11.1176.6-62.6177.9000113.5C552 N576 E579 L580 Y609 V612C552-L554 PolarHBondContact O-N 2.93Å; L554-N576 PolarHBondContact O-N 2.89Å; L554-E579 HydrophobicContact CD2-CB 4.21Å; L554-L580 HydrophobicContact CD2-CB 4.48Å; L554-Y609 HydrophobicContact CB-CE1 4.04Å; L554-Y609 PolarHBondContact O-OH 2.88Å; L554-V612 HydrophobicContact CD1-CG2 4.25Å
555I94.3Very high87.4Confident9 Ų933.5 Ų33.55%0.04620%0.196CC..EExtended strand (participates in β ladder)trans-108116.9-174.9-63.8179000109.6Q550 C552 S553 I558 I573 Y609 L613Q550-I555 PolarHBondContact NE2-O 3.45Å; C552-I555 HydrophobicContact CB-CB 4.37Å; C552-I555 HydrophobicContact CB-CD1 3.95Å; C552-I555 HydrophobicContact CB-CG1 4.07Å; C552-I555 PolarHBondContact O-N 3.03Å; S553-I555 PolarHBondContact O-N 3.44Å; I555-I558 HydrophobicContact CD1-CD1 4.45Å; I555-I558 HydrophobicContact CG2-CB 3.97Å; I555-I558 HydrophobicContact CG2-CG2 4.28Å; I555-I573 HydrophobicContact CD1-CD1 4.48Å; I555-I573 HydrophobicContact CG1-CG2 4.12Å; I555-I573 HydrophobicContact CG2-CG2 4.32Å; I555-Y609 HydrophobicContact CG1-CD1 4.46Å; I555-Y609 HydrophobicContact CG1-CE1 4.09Å; I555-L613 HydrophobicContact CD1-CD2 3.84Å
556S92.7Very high87.2Confident56 Ų5633.5 Ų33.539%0.39220%0.196SC..EExtended strand (participates in β ladder)trans-79.1-49.3171-177.70000110.6Q550 V574 P575Q550-S556 PolarHBondContact NE2-O 3.48Å; S556-V574 WeakPolarHBondContact CA-O 3.35Å; S556-V574 WeakPolarHBondContact CB-O 3.33Å; S556-V574 PolarHBondContact N-O 2.98Å; S556-P575 WeakPolarHBondContact CB-O 3.26Å
557Q94.4Very high86.8Confident30 Ų3033.9 Ų33.914%0.1420%0.2CC..EExtended strand (participates in β ladder)trans-144.5149177.5-58.8172.6-58.700110.4V574 T637 F638Q557-V574 HydrophobicContact CB-CB 4.01Å; Q557-V574 HydrophobicContact CB-CG2 4Å; Q557-V574 PolarHBondContact N-O 2.66Å; Q557-V574 PolarHBondContact O-N 3.29Å; Q557-T637 VanDerWaalsContact OE1-CG2 3.29Å; Q557-F638 HydrophobicContact CB-CD2 4.07Å; Q557-F638 HydrophobicContact CB-CE2 4.3Å; Q557-F638 PolarHBondContact NE2-O 3.49Å
558I95Very high87.2Confident1 Ų134.9 Ų34.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-139.3136.3176.6-175.6164.5000111.4E546 Y549 Q550 I555 I560 A571 I572 I573 L628 I651E546-I558 HydrophobicContact CB-CG2 4.11Å; E546-I558 HydrophobicContact CG-CG2 4.34Å; Y549-I558 HydrophobicContact CD2-CD1 4.38Å; Y549-I558 HydrophobicContact CG-CD1 4.35Å; Q550-I558 HydrophobicContact CB-CG2 4.28Å; I555-I558 HydrophobicContact CD1-CD1 4.45Å; I555-I558 HydrophobicContact CG2-CB 3.97Å; I555-I558 HydrophobicContact CG2-CG2 4.28Å; I558-I560 HydrophobicContact CD1-CD1 4.19Å; I558-I560 HydrophobicContact CD1-CG1 4.16Å; I558-I560 HydrophobicContact CG1-CG1 4.05Å; I558-A571 HydrophobicContact CD1-CB 4.02Å; I558-A571 HydrophobicContact CG1-CB 4.12Å; I558-I572 WeakPolarHBondContact CA-O 3.41Å; I558-I573 HydrophobicContact CB-CG1 4.42Å; I558-I573 HydrophobicContact CD1-CD1 4.17Å; I558-I573 HydrophobicContact CD1-CG1 3.91Å; I558-I573 HydrophobicContact CG1-CG1 3.91Å; I558-L628 HydrophobicContact CD1-CD1 4.21Å; I558-I651 WeakPolarHBondContact O-CD1 3.38Å
559F95.2Very high87.7Confident1 Ų134.1 Ų34.10%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-123.9123.7171172.1-120.7000109.4D561 A571 I572 F638 I651 R653 A656 R657 I664F559-D561 HydrophobicContact CE1-CB 4.04Å; F559-D561 HydrophobicContact CZ-CB 3.95Å; F559-D561 WeakPolarHBondContact CZ-OD2 3.41Å; F559-A571 CarbonylContact O-C 3.58Å; F559-A571 VanDerWaalsContact O-CA 3.3Å; F559-A571 WeakPolarHBondContact O-CA 3.22Å; F559-I572 HydrophobicContact CB-CB 4.4Å; F559-I572 HydrophobicContact CD1-CB 4.47Å; F559-I572 HydrophobicContact CD1-CG1 4.09Å; F559-I572 PolarHBondContact N-O 3.14Å; F559-I572 PolarHBondContact O-N 3.14Å; F559-F638 HydrophobicContact CB-CE2 3.79Å; F559-F638 HydrophobicContact CB-CZ 4.02Å; F559-I651 HydrophobicContact CB-CD1 4.27Å; F559-I651 HydrophobicContact CD2-CG2 3.95Å; F559-I651 HydrophobicContact CE2-CG2 4.46Å; F559-R653 HydrophobicContact CE2-CB 4.17Å; F559-R653 HydrophobicContact CE2-CG 4.21Å; F559-A656 HydrophobicContact CD1-CB 3.99Å; F559-A656 HydrophobicContact CD2-CB 4.29Å; F559-A656 HydrophobicContact CE1-CB 3.8Å; F559-A656 HydrophobicContact CE2-CB 4.13Å; F559-A656 HydrophobicContact CG-CB 4.23Å; F559-A656 HydrophobicContact CZ-CB 3.88Å; F559-R657 HydrophobicContact CZ-CB 4.35Å; F559-I664 HydrophobicContact CE1-CD1 3.95Å
560I94.5Very high88Confident0 Ų034.1 Ų34.10%019%0.192CC..EExtended strand (participates in β ladder)trans-109.8132.3-178.9-63.7178.2000109.9F532 P542 L545 E546 Y549 I558 P569 V570 A571 L628 R653F532-I560 HydrophobicContact CZ-CG2 4.26Å; P542-I560 HydrophobicContact CB-CB 4.09Å; P542-I560 HydrophobicContact CB-CG2 4.07Å; L545-I560 HydrophobicContact CB-CD1 3.5Å; L545-I560 VanDerWaalsContact CB-CD1 3.5Å; E546-I560 HydrophobicContact CG-CB 3.86Å; E546-I560 HydrophobicContact CG-CD1 3.83Å; E546-I560 HydrophobicContact CG-CG1 3.66Å; E546-I560 PolarHBondContact OE1-N 3.28Å; Y549-I560 HydrophobicContact CD2-CD1 3.82Å; Y549-I560 HydrophobicContact CE2-CD1 4.21Å; I558-I560 HydrophobicContact CD1-CD1 4.19Å; I558-I560 HydrophobicContact CD1-CG1 4.16Å; I558-I560 HydrophobicContact CG1-CG1 4.05Å; I560-P569 HydrophobicContact CG2-CB 3.85Å; I560-V570 WeakPolarHBondContact CA-O 3.31Å; I560-A571 HydrophobicContact CG1-CB 4.04Å; I560-L628 HydrophobicContact CD1-CD1 4.2Å; I560-L628 HydrophobicContact CD1-CD2 4.23Å; I560-L628 HydrophobicContact CG1-CD2 4.27Å; I560-L628 HydrophobicContact CG2-CD2 4.21Å; I560-R653 PolarHBondContact O-NH2 3.1Å
561D92.7Very high88.5Confident2 Ų230.4 Ų30.41%0.01118%0.175CC..EExtended strand (participates in β ladder)trans-148.4175.4176.6-146.4-17.2000110.7F559 V570 R657 I664F559-D561 HydrophobicContact CE1-CB 4.04Å; F559-D561 HydrophobicContact CZ-CB 3.95Å; F559-D561 WeakPolarHBondContact CZ-OD2 3.41Å; D561-V570 PolarHBondContact N-O 2.95Å; D561-V570 WeakPolarHBondContact O-CG2 3.37Å; D561-V570 PolarHBondContact O-N 3.38Å; D561-R657 IonicContact OD1-CZ 3.22Å; D561-R657 IonicContact OD1-NE 3.55Å; D561-R657 PolarHBondContact OD1-NE 2.91Å; D561-R657 IonicContact OD1-NH2 3.75Å; D561-R657 PolarHBondContact OD1-NH2 3.38Å; D561-R657 WeakPolarHBondContact OD2-CG 3.34Å; D561-R657 IonicContact OD2-CZ 3.55Å; D561-R657 IonicContact OD2-NE 3.73Å; D561-R657 PolarHBondContact OD2-NE 3.48Å; D561-R657 IonicContact OD2-NH2 3.02Å; D561-R657 PolarHBondContact OD2-NH2 3.43Å; D561-I664 HydrophobicContact CB-CD1 3.95Å; D561-I664 HydrophobicContact CB-CG1 4.5Å; D561-I664 HydrophobicContact CB-CG2 4.46Å
562A85.3Confident89.2Confident8 Ų827 Ų277%0.06615%0.151CC..  trans-153.6156.916600000110.2F532 L534F532-A562 HydrophobicContact CD2-CB 3.53Å; F532-A562 HydrophobicContact CE2-CB 3.3Å; F532-A562 HydrophobicContact CG-CB 4.26Å; F532-A562 HydrophobicContact CZ-CB 3.87Å; L534-A562 HydrophobicContact CD2-CB 3.9Å
563N80.1Confident89.8Confident18 Ų1826.3 Ų26.310%0.09615%0.146CC..  trans-85155.4160.477.923.4000110.1K565 S566 N665 C668N563-K565 PolarHBondContact O-N 3.46Å; N563-K565 PolarHBondContact OD1-N 2.84Å; N563-K565 VanDerWaalsContact OD1-N 3.13Å; N563-S566 WeakPolarHBondContact O-CB 3.17Å; N563-S566 PolarHBondContact O-N 2.85Å; N563-S566 PolarHBondContact OD1-N 3.4Å; N563-N665 PolarHBondContact ND2-OD1 3.3Å; N563-C668 PolarHBondContact N-SG 2.96Å; N563-C668 VanDerWaalsContact ND2-CB 3.29Å; N563-C668 WeakPolarHBondContact ND2-CB 3.3Å
564P69.5Low90.2Very high106 Ų10623 Ų2369%0.68812%0.123SC*.THydrogen-bonded Turntrans-62.9-13.4-177.2-2534.9000115.5
565K74.4Confident90.3Very high149 Ų14922.4 Ų22.465%0.64812%0.12SC*.THydrogen-bonded Turntrans-89.8-13.1178.4-62.5-178.4-179.7177.80112.6A535 N563 M672A535-K565 WeakPolarHBondContact CB-O 3.28Å; N563-K565 PolarHBondContact O-N 3.46Å; N563-K565 PolarHBondContact OD1-N 2.84Å; N563-K565 VanDerWaalsContact OD1-N 3.13Å; K565-M672 HydrophobicContact CB-SD 3.88Å
566S80.3Confident90.4Very high0 Ų024.2 Ų24.20%013%0.13CC..  trans-77.2143.2-178.8-165.80000111.7L534 A535 N563 Y568L534-S566 CarbonylContact C-O 3.59Å; L534-S566 WeakPolarHBondContact CA-O 3.22Å; L534-S566 WeakPolarHBondContact CB-O 3.35Å; L534-S566 WeakPolarHBondContact CD2-O 3.38Å; A535-S566 PolarHBondContact N-O 3.45Å; N563-S566 WeakPolarHBondContact O-CB 3.17Å; N563-S566 PolarHBondContact O-N 2.85Å; N563-S566 PolarHBondContact OD1-N 3.4Å; S566-Y568 WeakPolarHBondContact CB-O 3.12Å; S566-Y568 PolarHBondContact OG-N 3.39Å; S566-Y568 PolarHBondContact OG-O 3.42Å
567T82.1Confident90.5Very high26 Ų2622.8 Ų22.816%0.1612%0.117CC..SBendtrans-88.9-13.1173.648.10000113.6L534 A535 Q536 E675L534-T567 WeakPolarHBondContact CD1-O 3.43Å; A535-T567 HydrophobicContact CB-CG2 4.18Å; Q536-T567 PolarHBondContact NE2-O 3.02Å; Q536-T567 VanDerWaalsContact OE1-CA 3.27Å; Q536-T567 PolarHBondContact OE1-O 3.09Å; T567-E675 WeakPolarHBondContact CB-OE2 3.21Å; T567-E675 VanDerWaalsContact CG2-OE2 3.22Å; T567-E675 WeakPolarHBondContact CG2-OE2 3.43Å; T567-E675 PolarHBondContact OG1-OE1 2.88Å; T567-E675 VanDerWaalsContact OG1-OE1 3.13Å; T567-E675 PolarHBondContact OG1-OE2 3.24Å
568Y89.5Confident90.4Very high58 Ų5827.8 Ų27.823%0.22715%0.145CC..SBendtrans-138152.9177-62-83.4000111.6S566 G624 K629 I671 E675S566-Y568 WeakPolarHBondContact CB-O 3.12Å; S566-Y568 PolarHBondContact OG-N 3.39Å; S566-Y568 PolarHBondContact OG-O 3.42Å; Y568-G624 WeakPolarHBondContact CD1-O 3.42Å; Y568-G624 WeakPolarHBondContact CE1-O 3.39Å; Y568-K629 HydrophobicContact CD1-CG 3.79Å; Y568-K629 HydrophobicContact CD2-CG 3.76Å; Y568-K629 HydrophobicContact CE1-CG 4.21Å; Y568-K629 HydrophobicContact CE2-CG 4.14Å; Y568-K629 HydrophobicContact CG-CB 4.4Å; Y568-K629 HydrophobicContact CG-CG 3.55Å; Y568-I671 HydrophobicContact CD2-CG2 3.7Å; Y568-E675 VanDerWaalsContact CE2-OE1 3.22Å; Y568-E675 WeakPolarHBondContact CE2-OE1 3.4Å
569P93Very high90.4Very high0 Ų031 Ų310%016%0.159CC..  trans-70.1157.1169.830.4-35.6000112.2F532 L545 I560 F625 L628F532-P569 HydrophobicContact CE2-CB 4.15Å; F532-P569 HydrophobicContact CZ-CB 3.9Å; L545-P569 HydrophobicContact CD1-CG 4.36Å; I560-P569 HydrophobicContact CG2-CB 3.85Å; P569-F625 WeakPolarHBondContact CD-O 3.41Å; P569-L628 HydrophobicContact CB-CD2 4.11Å; P569-L628 HydrophobicContact CG-CD2 4.11Å
570V96.4Very high90.3Very high1 Ų130.9 Ų30.91%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-120.4158.2172.9-59.40000110.2I560 D561 K630 I664 L667 I671I560-V570 WeakPolarHBondContact CA-O 3.31Å; D561-V570 PolarHBondContact N-O 2.95Å; D561-V570 WeakPolarHBondContact O-CG2 3.37Å; D561-V570 PolarHBondContact O-N 3.38Å; V570-K630 WeakPolarHBondContact CA-O 3.48Å; V570-K630 HydrophobicContact CG1-CB 4.2Å; V570-I664 HydrophobicContact CG2-CB 4.46Å; V570-I664 HydrophobicContact CG2-CG1 4.4Å; V570-I664 HydrophobicContact CG2-CG2 3.99Å; V570-L667 HydrophobicContact CB-CB 4.1Å; V570-L667 HydrophobicContact CB-CD1 4Å; V570-L667 HydrophobicContact CG1-CB 3.7Å; V570-L667 HydrophobicContact CG1-CD1 4.46Å; V570-L667 HydrophobicContact CG2-CB 4.41Å; V570-L667 HydrophobicContact CG2-CD1 4.36Å; V570-I671 HydrophobicContact CG1-CD1 3.51Å
571A97.6Very high90.4Very high1 Ų133.7 Ų33.71%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-129.4141.2178.500000113I558 F559 I560 I573 L628 K630 I631 H632I558-A571 HydrophobicContact CD1-CB 4.02Å; I558-A571 HydrophobicContact CG1-CB 4.12Å; F559-A571 CarbonylContact O-C 3.58Å; F559-A571 VanDerWaalsContact O-CA 3.3Å; F559-A571 WeakPolarHBondContact O-CA 3.22Å; I560-A571 HydrophobicContact CG1-CB 4.04Å; A571-I573 HydrophobicContact CB-CD1 4.24Å; A571-I573 HydrophobicContact CB-CG1 4.1Å; A571-L628 HydrophobicContact CB-CD1 3.65Å; A571-L628 HydrophobicContact CB-CD2 3.82Å; A571-L628 HydrophobicContact CB-CG 4.32Å; A571-K630 PolarHBondContact N-O 2.95Å; A571-I631 HydrophobicContact CB-CG2 4.1Å; A571-I631 CarbonylContact O-C 3.52Å; A571-I631 WeakPolarHBondContact O-CA 3.28Å; A571-H632 PolarHBondContact O-N 3.2Å
572I98Very high90.4Very high1 Ų138.4 Ų38.41%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-99.5124.2163-47.5-56.6000107I558 F559 H632 T634 F638 Y660 I663 I664I558-I572 WeakPolarHBondContact CA-O 3.41Å; F559-I572 HydrophobicContact CB-CB 4.4Å; F559-I572 HydrophobicContact CD1-CB 4.47Å; F559-I572 HydrophobicContact CD1-CG1 4.09Å; F559-I572 PolarHBondContact N-O 3.14Å; F559-I572 PolarHBondContact O-N 3.14Å; I572-H632 CarbonylContact C-O 3.53Å; I572-H632 WeakPolarHBondContact CA-O 3.45Å; I572-H632 HydrophobicContact CD1-CB 3.78Å; I572-T634 HydrophobicContact CG2-CG2 3.76Å; I572-F638 HydrophobicContact CG2-CZ 4.2Å; I572-Y660 HydrophobicContact CD1-CD1 4.26Å; I572-Y660 HydrophobicContact CD1-CG 4.28Å; I572-Y660 HydrophobicContact CG1-CD1 4.22Å; I572-Y660 HydrophobicContact CG1-CD2 4.22Å; I572-Y660 HydrophobicContact CG1-CG 3.91Å; I572-Y660 HydrophobicContact CG2-CD1 4.02Å; I572-Y660 HydrophobicContact CG2-CD2 4.3Å; I572-Y660 HydrophobicContact CG2-CE1 3.83Å; I572-Y660 HydrophobicContact CG2-CE2 4.09Å; I572-Y660 HydrophobicContact CG2-CG 4.28Å; I572-I663 HydrophobicContact CD1-CG2 3.68Å; I572-I664 HydrophobicContact CD1-CG1 4.42Å
573I98Very high90.7Very high0 Ų039.6 Ų39.60%020%0.199CC..EExtended strand (participates in β ladder)trans-125.7129.3-172.3-65.6169.6000109.2I555 I558 A571 P575 Y609 L613 I631 H632 L633 T634I555-I573 HydrophobicContact CD1-CD1 4.48Å; I555-I573 HydrophobicContact CG1-CG2 4.12Å; I555-I573 HydrophobicContact CG2-CG2 4.32Å; I558-I573 HydrophobicContact CB-CG1 4.42Å; I558-I573 HydrophobicContact CD1-CD1 4.17Å; I558-I573 HydrophobicContact CD1-CG1 3.91Å; I558-I573 HydrophobicContact CG1-CG1 3.91Å; A571-I573 HydrophobicContact CB-CD1 4.24Å; A571-I573 HydrophobicContact CB-CG1 4.1Å; I573-P575 WeakPolarHBondContact O-CD 3.27Å; I573-Y609 HydrophobicContact CD1-CD1 4.47Å; I573-Y609 HydrophobicContact CG2-CD1 4.22Å; I573-Y609 HydrophobicContact CG2-CE1 3.97Å; I573-L613 HydrophobicContact CD1-CD1 3.77Å; I573-I631 HydrophobicContact CD1-CB 4.25Å; I573-I631 HydrophobicContact CD1-CD1 4.28Å; I573-I631 HydrophobicContact CD1-CG2 4.07Å; I573-H632 PolarHBondContact N-O 3.12Å; I573-L633 HydrophobicContact CB-CD2 3.91Å; I573-L633 HydrophobicContact CG2-CD2 3.99Å; I573-L633 WeakPolarHBondContact O-CA 3.45Å; I573-T634 PolarHBondContact O-N 3.45Å
574V97.2Very high91.4Very high1 Ų138.7 Ų38.71%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-93112.1164.3-173.80000107.4S556 Q557 T634 E636 F638S556-V574 WeakPolarHBondContact CA-O 3.35Å; S556-V574 WeakPolarHBondContact CB-O 3.33Å; S556-V574 PolarHBondContact N-O 2.98Å; Q557-V574 HydrophobicContact CB-CB 4.01Å; Q557-V574 HydrophobicContact CB-CG2 4Å; Q557-V574 PolarHBondContact N-O 2.66Å; Q557-V574 PolarHBondContact O-N 3.29Å; V574-T634 WeakPolarHBondContact CA-O 3.15Å; V574-T634 HydrophobicContact CG2-CG2 3.98Å; V574-E636 WeakPolarHBondContact CG2-O 3.17Å; V574-F638 HydrophobicContact CG2-CD1 4.25Å; V574-F638 HydrophobicContact CG2-CE1 4.05Å; V574-F638 HydrophobicContact CG2-CZ 4.29Å
575P97.1Very high92.6Very high3 Ų336.7 Ų36.72%0.01918%0.183CC..EExtended strand (participates in β ladder)trans-55.2146174.4-31.641000113.2S556 I573 F577 L580 Y609 L633 T634S556-P575 WeakPolarHBondContact CB-O 3.26Å; I573-P575 WeakPolarHBondContact O-CD 3.27Å; P575-F577 HydrophobicContact CB-CD1 3.91Å; P575-F577 HydrophobicContact CB-CD2 4.32Å; P575-F577 HydrophobicContact CB-CE1 3.7Å; P575-F577 HydrophobicContact CB-CE2 4.12Å; P575-F577 HydrophobicContact CB-CG 4.22Å; P575-F577 HydrophobicContact CB-CZ 3.8Å; P575-F577 HydrophobicContact CG-CE1 3.87Å; P575-F577 HydrophobicContact CG-CE2 4.47Å; P575-F577 HydrophobicContact CG-CZ 3.81Å; P575-F577 PolarHBondContact O-N 3.17Å; P575-L580 HydrophobicContact CB-CD2 4.34Å; P575-Y609 WeakPolarHBondContact CA-OH 3.2Å; P575-Y609 WeakPolarHBondContact CB-OH 3.46Å; P575-L633 HydrophobicContact CG-CD2 4.49Å; P575-T634 VanDerWaalsContact CD-O 3.23Å; P575-T634 WeakPolarHBondContact CD-O 3.21Å
576N95.3Very high93.4Very high46 Ų4636.7 Ų36.725%0.24618%0.183CC..  trans-79.797.5153.5-176.1-20.3000107.5S553 L554 D578 E579 L580S553-N576 VanDerWaalsContact O-CB 3.22Å; S553-N576 WeakPolarHBondContact O-CB 3.33Å; S553-N576 PolarHBondContact O-ND2 2.76Å; L554-N576 PolarHBondContact O-N 2.89Å; N576-D578 VanDerWaalsContact C-N 3.29Å; N576-D578 PolarHBondContact O-N 3.4Å; N576-D578 PolarHBondContact OD1-N 2.82Å; N576-E579 HydrophobicContact CB-CB 4.11Å; N576-E579 HydrophobicContact CB-CG 4.31Å; N576-E579 WeakPolarHBondContact ND2-CG 3.43Å; N576-E579 PolarHBondContact O-N 3.19Å; N576-E579 PolarHBondContact OD1-N 2.88Å; N576-L580 VanDerWaalsContact O-CB 3.26Å; N576-L580 WeakPolarHBondContact O-CB 3.3Å; N576-L580 PolarHBondContact O-N 2.69Å
577F95.5Very high93.9Very high27 Ų2740.4 Ų40.412%0.11821%0.206CC..Hα-helixtrans-66.3-27.6-172.3-75.2-66.7000114P575 L580 R581 D596 L599 D635P575-F577 HydrophobicContact CB-CD1 3.91Å; P575-F577 HydrophobicContact CB-CD2 4.32Å; P575-F577 HydrophobicContact CB-CE1 3.7Å; P575-F577 HydrophobicContact CB-CE2 4.12Å; P575-F577 HydrophobicContact CB-CG 4.22Å; P575-F577 HydrophobicContact CB-CZ 3.8Å; P575-F577 HydrophobicContact CG-CE1 3.87Å; P575-F577 HydrophobicContact CG-CE2 4.47Å; P575-F577 HydrophobicContact CG-CZ 3.81Å; P575-F577 PolarHBondContact O-N 3.17Å; F577-L580 HydrophobicContact CD1-CD2 4.5Å; F577-R581 WeakPolarHBondContact O-CB 3.48Å; F577-R581 WeakPolarHBondContact O-CG 3.25Å; F577-R581 PolarHBondContact O-N 3.41Å; F577-R581 VanDerWaalsContact O-N 3.09Å; F577-R581 PolarHBondContact O-NH1 2.91Å; F577-D596 HydrophobicContact CD1-CB 3.91Å; F577-D596 VanDerWaalsContact CD1-CG 3.49Å; F577-D596 WeakPolarHBondContact CD1-OD1 3.39Å; F577-D596 HydrophobicContact CD2-CB 4.33Å; F577-D596 HydrophobicContact CE1-CB 3.54Å; F577-D596 HydrophobicContact CE2-CB 4.01Å; F577-D596 HydrophobicContact CG-CB 4.29Å; F577-D596 WeakPolarHBondContact CG-OD1 3.2Å; F577-D596 HydrophobicContact CZ-CB 3.6Å; F577-L599 HydrophobicContact CD1-CD1 4.43Å; F577-D635 HydrophobicContact CE2-CB 4.35Å; F577-D635 HydrophobicContact CZ-CB 3.97Å
578D92.7Very high94.4Very high135 Ų13541.6 Ų41.672%0.72221%0.211SC*.Hα-helixtrans-70.8-53175.8-65.7-33.7000110.5N576 L580 R581 E582N576-D578 VanDerWaalsContact C-N 3.29Å; N576-D578 PolarHBondContact O-N 3.4Å; N576-D578 PolarHBondContact OD1-N 2.82Å; D578-L580 VanDerWaalsContact C-N 3.3Å; D578-L580 PolarHBondContact O-N 2.96Å; D578-R581 PolarHBondContact O-N 3.34Å; D578-E582 PolarHBondContact O-N 3.46Å
579E93.3Very high94.5Very high67 Ų6742.9 Ų42.931%0.31323%0.227SC..Hα-helixtrans-61.6-38.5176.8-71-71.8156.400112L554 N576 E582 S583L554-E579 HydrophobicContact CD2-CB 4.21Å; N576-E579 HydrophobicContact CB-CB 4.11Å; N576-E579 HydrophobicContact CB-CG 4.31Å; N576-E579 WeakPolarHBondContact ND2-CG 3.43Å; N576-E579 PolarHBondContact O-N 3.19Å; N576-E579 PolarHBondContact OD1-N 2.88Å; E579-E582 PolarHBondContact O-N 3.29Å; E579-S583 WeakPolarHBondContact O-CB 3.42Å; E579-S583 PolarHBondContact O-N 2.93Å
580L94.8Very high94.4Very high0 Ų046.3 Ų46.30%026%0.262CS..Hα-helixtrans-61.7-47.4175.6179.159.6000110.8L554 P575 N576 F577 D578 S583 L584 L599 I605 K608 Y609L554-L580 HydrophobicContact CD2-CB 4.48Å; P575-L580 HydrophobicContact CB-CD2 4.34Å; N576-L580 VanDerWaalsContact O-CB 3.26Å; N576-L580 WeakPolarHBondContact O-CB 3.3Å; N576-L580 PolarHBondContact O-N 2.69Å; F577-L580 HydrophobicContact CD1-CD2 4.5Å; D578-L580 VanDerWaalsContact C-N 3.3Å; D578-L580 PolarHBondContact O-N 2.96Å; L580-S583 WeakPolarHBondContact O-CB 3.44Å; L580-S583 PolarHBondContact O-N 3.49Å; L580-L584 HydrophobicContact CD1-CD1 4.14Å; L580-L584 HydrophobicContact CD1-CG 4.17Å; L580-L584 HydrophobicContact CG-CD1 3.92Å; L580-L584 HydrophobicContact CG-CG 4.38Å; L580-L584 VanDerWaalsContact O-CG 3.25Å; L580-L584 WeakPolarHBondContact O-CG 3.31Å; L580-L584 PolarHBondContact O-N 3.2Å; L580-L599 HydrophobicContact CD2-CD1 4.25Å; L580-I605 HydrophobicContact CD1-CD1 4.46Å; L580-I605 HydrophobicContact CD1-CG2 4.41Å; L580-I605 HydrophobicContact CD2-CG2 4.08Å; L580-K608 HydrophobicContact CD1-CD 4.28Å; L580-Y609 HydrophobicContact CD1-CE2 4.12Å; L580-Y609 HydrophobicContact CD2-CE2 4.31Å
581R96Very high94.3Very high59 Ų5947.2 Ų47.222%0.22327%0.267CS..Hα-helixtrans-66.6-38.5179.8-79.2-178.4176.676.9-4.1112.7F577 D578 S583 L584 S585 V592 L594 D596 L599F577-R581 WeakPolarHBondContact O-CB 3.48Å; F577-R581 WeakPolarHBondContact O-CG 3.25Å; F577-R581 PolarHBondContact O-N 3.41Å; F577-R581 VanDerWaalsContact O-N 3.09Å; F577-R581 PolarHBondContact O-NH1 2.91Å; D578-R581 PolarHBondContact O-N 3.34Å; R581-S583 VanDerWaalsContact C-N 3.3Å; R581-S583 PolarHBondContact O-N 3.07Å; R581-L584 PolarHBondContact O-N 3.02Å; R581-S585 PolarHBondContact O-N 3.33Å; R581-V592 PolarHBondContact NE-O 3.33Å; R581-V592 VanDerWaalsContact NE-O 3.13Å; R581-L594 PolarHBondContact NH2-O 3.07Å; R581-D596 IonicContact CZ-OD1 2.64Å; R581-D596 IonicContact NH1-OD1 3.29Å; R581-D596 PolarHBondContact NH1-OD1 2.71Å; R581-D596 IonicContact NH2-OD1 3.14Å; R581-D596 PolarHBondContact NH2-OD1 2.99Å; R581-L599 VanDerWaalsContact NH2-CD1 3.33Å
582E93Very high94.1Very high100 Ų10048.6 Ų48.647%0.46728%0.275SS..Hα-helixtrans-60.5-44.2172.6-164-165.5143.200110.8D578 E579 L584 S585 K586D578-E582 PolarHBondContact O-N 3.46Å; E579-E582 PolarHBondContact O-N 3.29Å; E582-L584 PolarHBondContact O-N 3.02Å; E582-S585 PolarHBondContact O-N 3.31Å; E582-S585 PolarHBondContact O-OG 2.97Å; E582-K586 IonicContact OE1-NZ 3.9Å; E582-K586 PolarHBondContact OE1-NZ 3.29Å
583S91.2Very high93.9Very high33 Ų3355.8 Ų55.823%0.23131%0.314CS..Hα-helixtrans-61.1-43.5175.7-164.10000112.4E579 L580 R581 K586 T587 K608E579-S583 WeakPolarHBondContact O-CB 3.42Å; E579-S583 PolarHBondContact O-N 2.93Å; L580-S583 WeakPolarHBondContact O-CB 3.44Å; L580-S583 PolarHBondContact O-N 3.49Å; R581-S583 VanDerWaalsContact C-N 3.3Å; R581-S583 PolarHBondContact O-N 3.07Å; S583-K586 PolarHBondContact O-N 2.91Å; S583-T587 PolarHBondContact O-N 3.22Å; S583-T587 PolarHBondContact O-OG1 3.11Å; S583-K608 VanDerWaalsContact OG-CE 3.28Å; S583-K608 WeakPolarHBondContact OG-CE 3.49Å; S583-K608 PolarHBondContact OG-NZ 3.43Å
584L94.5Very high93.7Very high0 Ų058.4 Ų58.40%033%0.327CS..Hα-helixtrans-67.9-34.8179.9-68.7171.6000112.4L580 R581 E582 K586 T587 D588 L591 V592 L599 I605L580-L584 HydrophobicContact CD1-CD1 4.14Å; L580-L584 HydrophobicContact CD1-CG 4.17Å; L580-L584 HydrophobicContact CG-CD1 3.92Å; L580-L584 HydrophobicContact CG-CG 4.38Å; L580-L584 VanDerWaalsContact O-CG 3.25Å; L580-L584 WeakPolarHBondContact O-CG 3.31Å; L580-L584 PolarHBondContact O-N 3.2Å; R581-L584 PolarHBondContact O-N 3.02Å; E582-L584 PolarHBondContact O-N 3.02Å; L584-K586 PolarHBondContact O-N 3.32Å; L584-T587 PolarHBondContact O-N 3.17Å; L584-D588 HydrophobicContact CD2-CB 3.97Å; L584-D588 CarbonylContact O-C 3.59Å; L584-D588 WeakPolarHBondContact O-CA 3.32Å; L584-D588 PolarHBondContact O-N 2.77Å; L584-L591 HydrophobicContact CD1-CB 4.2Å; L584-L591 HydrophobicContact CD2-CB 4.41Å; L584-L591 HydrophobicContact CD2-CD1 4.3Å; L584-V592 HydrophobicContact CB-CG2 3.81Å; L584-L599 HydrophobicContact CD1-CD2 3.84Å; L584-I605 HydrophobicContact CD1-CD1 3.81Å; L584-I605 HydrophobicContact CD2-CD1 3.54Å; L584-I605 HydrophobicContact CG-CD1 4.25Å
585S93.6Very high93.7Very high64 Ų6460.9 Ų60.945%0.44835%0.345SS..Hα-helixtrans-56.7-25.9175.776.30000113.4R581 E582R581-S585 PolarHBondContact O-N 3.33Å; E582-S585 PolarHBondContact O-N 3.31Å; E582-S585 PolarHBondContact O-OG 2.97Å
586K91.7Very high93.7Very high148 Ų14863.7 Ų63.764%0.64336%0.359SS*.Hα-helixtrans-93.5-25179.4-61.1169.2-170.3162.80113.1E582 S583 L584E582-K586 IonicContact OE1-NZ 3.9Å; E582-K586 PolarHBondContact OE1-NZ 3.29Å; S583-K586 PolarHBondContact O-N 2.91Å; L584-K586 PolarHBondContact O-N 3.32Å
587T92.1Very high93.8Very high78 Ų7865.9 Ų65.948%0.47937%0.368SS..Hα-helixtrans-117.5-43.8-168.2450000113.5S583 L584S583-T587 PolarHBondContact O-N 3.22Å; S583-T587 PolarHBondContact O-OG1 3.11Å; L584-T587 PolarHBondContact O-N 3.17Å
588D92.7Very high93.8Very high52 Ų5268.2 Ų68.228%0.27838%0.382SS..  trans-140.768.9-175.7-58.6-87.4000110.1L584 G590 L591L584-D588 HydrophobicContact CD2-CB 3.97Å; L584-D588 CarbonylContact O-C 3.59Å; L584-D588 WeakPolarHBondContact O-CA 3.32Å; L584-D588 PolarHBondContact O-N 2.77Å; D588-G590 PolarHBondContact O-N 2.72Å; D588-L591 HydrophobicContact CB-CB 4.48Å; D588-L591 HydrophobicContact CB-CD1 3.82Å; D588-L591 HydrophobicContact CB-CG 4.06Å; D588-L591 PolarHBondContact O-N 2.67Å
589P90.2Very high94.1Very high84 Ų8461.8 Ų61.855%0.54535%0.347SS..G310 helixtrans-57.6-27.6-171.9-25.333.8000114.4L591 V592P589-L591 PolarHBondContact O-N 3.4Å; P589-V592 WeakPolarHBondContact O-CG2 3.39Å; P589-V592 PolarHBondContact O-N 3.29Å
590G92.3Very high94.3Very high72 Ų7258.9 Ų58.974%0.74233%0.334SS*.G310 helixtrans-66.2-18.5177.500000114.5D588D588-G590 PolarHBondContact O-N 2.72Å
591L94Very high94.3Very high20 Ų2064.6 Ų64.611%0.10536%0.361CS..G310 helixtrans-91.7-14.7179.8-57.5-177.4000113.1L584 D588 P589 N593 L594 L599 H602 I604 I605L584-L591 HydrophobicContact CD1-CB 4.2Å; L584-L591 HydrophobicContact CD2-CB 4.41Å; L584-L591 HydrophobicContact CD2-CD1 4.3Å; D588-L591 HydrophobicContact CB-CB 4.48Å; D588-L591 HydrophobicContact CB-CD1 3.82Å; D588-L591 HydrophobicContact CB-CG 4.06Å; D588-L591 PolarHBondContact O-N 2.67Å; P589-L591 PolarHBondContact O-N 3.4Å; L591-N593 VanDerWaalsContact C-N 3.26Å; L591-N593 PolarHBondContact O-N 2.64Å; L591-L594 HydrophobicContact CB-CD1 4.35Å; L591-L594 HydrophobicContact CD2-CD1 3.79Å; L591-L594 WeakPolarHBondContact O-CB 3.5Å; L591-L594 PolarHBondContact O-N 2.94Å; L591-L594 VanDerWaalsContact O-N 3.15Å; L591-L599 HydrophobicContact CB-CD2 4.37Å; L591-H602 WeakPolarHBondContact CD2-NE2 3.28Å; L591-I604 HydrophobicContact CD1-CB 4.26Å; L591-I604 HydrophobicContact CD1-CD1 4.45Å; L591-I604 HydrophobicContact CD1-CG2 4.18Å; L591-I605 HydrophobicContact CD1-CD1 3.99Å
592V93.3Very high94.3Very high31 Ų3164.5 Ų64.519%0.18836%0.363CS..THydrogen-bonded Turntrans-58.9-36.6-171.1175.50000112.8R581 L584 P589R581-V592 PolarHBondContact NE-O 3.33Å; R581-V592 VanDerWaalsContact NE-O 3.13Å; L584-V592 HydrophobicContact CB-CG2 3.81Å; P589-V592 WeakPolarHBondContact O-CG2 3.39Å; P589-V592 PolarHBondContact O-N 3.29Å
593N93.2Very high94.4Very high152 Ų15266 Ų6681%0.81337%0.37SS*.THydrogen-bonded Turntrans-89.92.4-174.8-63.1-30.8000113.7L591L591-N593 VanDerWaalsContact C-N 3.26Å; L591-N593 PolarHBondContact O-N 2.64Å
594L94.7Very high94.6Very high55 Ų5568 Ų6829%0.28838%0.378SS..SBendtrans-67.1153.4173.5-66.8-178.6000110.7R581 L591 D598 L599R581-L594 PolarHBondContact NH2-O 3.07Å; L591-L594 HydrophobicContact CB-CD1 4.35Å; L591-L594 HydrophobicContact CD2-CD1 3.79Å; L591-L594 WeakPolarHBondContact O-CB 3.5Å; L591-L594 PolarHBondContact O-N 2.94Å; L591-L594 VanDerWaalsContact O-N 3.15Å; L594-D598 HydrophobicContact CB-CB 4.21Å; L594-L599 HydrophobicContact CB-CD2 4Å; L594-L599 HydrophobicContact CB-CG 3.94Å; L594-L599 HydrophobicContact CD1-CD2 4.22Å
595S96.4Very high94.7Very high53 Ų5368 Ų6837%0.37138%0.378SS..  trans-65.5158.1172.274.60000110.7H597 D598 L599S595-H597 PolarHBondContact O-N 3.32Å; S595-D598 PolarHBondContact O-N 2.87Å; S595-D598 VanDerWaalsContact O-N 3.17Å; S595-D598 WeakPolarHBondContact OG-CB 3.28Å; S595-D598 PolarHBondContact OG-N 3.17Å; S595-D598 VanDerWaalsContact OG-N 3.1Å; S595-D598 PolarHBondContact OG-OD2 2.96Å; S595-L599 WeakPolarHBondContact O-CG 3.39Å; S595-L599 PolarHBondContact O-N 2.99Å
596D96.8Very high94.8Very high61 Ų6167.4 Ų67.433%0.32637%0.367SS..Hα-helixtrans-57.8-40.8177-72.5-15.6000111.9F577 R581 L599 C600 D635F577-D596 HydrophobicContact CD1-CB 3.91Å; F577-D596 VanDerWaalsContact CD1-CG 3.49Å; F577-D596 WeakPolarHBondContact CD1-OD1 3.39Å; F577-D596 HydrophobicContact CD2-CB 4.33Å; F577-D596 HydrophobicContact CE1-CB 3.54Å; F577-D596 HydrophobicContact CE2-CB 4.01Å; F577-D596 HydrophobicContact CG-CB 4.29Å; F577-D596 WeakPolarHBondContact CG-OD1 3.2Å; F577-D596 HydrophobicContact CZ-CB 3.6Å; R581-D596 IonicContact CZ-OD1 2.64Å; R581-D596 IonicContact NH1-OD1 3.29Å; R581-D596 PolarHBondContact NH1-OD1 2.71Å; R581-D596 IonicContact NH2-OD1 3.14Å; R581-D596 PolarHBondContact NH2-OD1 2.99Å; D596-L599 PolarHBondContact O-N 2.79Å; D596-C600 PolarHBondContact O-N 3.37Å; D596-C600 VanDerWaalsContact O-N 3.11Å; D596-C600 PolarHBondContact O-SG 2.91Å; D596-D635 HydrophobicContact CB-CB 4.05Å
597H96.9Very high95Very high92 Ų9267.3 Ų67.343%0.42636%0.363SS..Hα-helixtrans-58.3-51.2173-179.7-89.6000111.9S595 L599 C600 Q601 D635S595-H597 PolarHBondContact O-N 3.32Å; H597-L599 VanDerWaalsContact C-N 3.33Å; H597-L599 PolarHBondContact O-N 3.2Å; H597-C600 WeakPolarHBondContact O-CB 3.34Å; H597-C600 PolarHBondContact O-N 2.71Å; H597-C600 VanDerWaalsContact O-N 3.13Å; H597-Q601 PolarHBondContact O-N 3.14Å; H597-D635 WeakPolarHBondContact CB-OD2 3.19Å; H597-D635 IonicContact CD2-OD2 2.85Å
598D97Very high95.1Very high76 Ų7665.5 Ų65.541%0.40635%0.348SS..Hα-helixtrans-66.1-36.1-177.7-62.7-35.7000112L594 S595 C600 Q601 H602L594-D598 HydrophobicContact CB-CB 4.21Å; S595-D598 PolarHBondContact O-N 2.87Å; S595-D598 VanDerWaalsContact O-N 3.17Å; S595-D598 WeakPolarHBondContact OG-CB 3.28Å; S595-D598 PolarHBondContact OG-N 3.17Å; S595-D598 VanDerWaalsContact OG-N 3.1Å; S595-D598 PolarHBondContact OG-OD2 2.96Å; D598-C600 VanDerWaalsContact C-N 3.31Å; D598-C600 PolarHBondContact O-N 2.78Å; D598-Q601 PolarHBondContact O-N 3.31Å; D598-H602 WeakPolarHBondContact O-CB 3.49Å; D598-H602 PolarHBondContact O-N 2.98Å; D598-H602 VanDerWaalsContact O-N 3.16Å
599L97.4Very high95.4Very high0 Ų063.1 Ų63.10%034%0.336CS..Hα-helixtrans-60.6-40.7173.1-75.2175000111.8F577 L580 R581 L584 L591 L594 S595 D596 H597 Q601 H602 I605F577-L599 HydrophobicContact CD1-CD1 4.43Å; L580-L599 HydrophobicContact CD2-CD1 4.25Å; R581-L599 VanDerWaalsContact NH2-CD1 3.33Å; L584-L599 HydrophobicContact CD1-CD2 3.84Å; L591-L599 HydrophobicContact CB-CD2 4.37Å; L594-L599 HydrophobicContact CB-CD2 4Å; L594-L599 HydrophobicContact CB-CG 3.94Å; L594-L599 HydrophobicContact CD1-CD2 4.22Å; S595-L599 WeakPolarHBondContact O-CG 3.39Å; S595-L599 PolarHBondContact O-N 2.99Å; D596-L599 PolarHBondContact O-N 2.79Å; H597-L599 VanDerWaalsContact C-N 3.33Å; H597-L599 PolarHBondContact O-N 3.2Å; L599-Q601 VanDerWaalsContact C-N 3.27Å; L599-Q601 PolarHBondContact O-N 2.72Å; L599-H602 PolarHBondContact O-N 3.16Å; L599-I605 HydrophobicContact CD2-CD1 4.1Å; L599-I605 HydrophobicContact CD2-CG1 4.08Å; L599-I605 WeakPolarHBondContact O-CB 3.48Å; L599-I605 WeakPolarHBondContact O-CG1 3.39Å
600C97.4Very high95.7Very high6 Ų661 Ų614%0.04132%0.319CS..Hα-helixtrans-65.9-29.4178.4-68.90000112.9D596 H597 D598 L633D596-C600 PolarHBondContact O-N 3.37Å; D596-C600 VanDerWaalsContact O-N 3.11Å; D596-C600 PolarHBondContact O-SG 2.91Å; H597-C600 WeakPolarHBondContact O-CB 3.34Å; H597-C600 PolarHBondContact O-N 2.71Å; H597-C600 VanDerWaalsContact O-N 3.13Å; D598-C600 VanDerWaalsContact C-N 3.31Å; D598-C600 PolarHBondContact O-N 2.78Å; C600-L633 HydrophobicContact CB-CB 3.8Å
601Q96.1Very high95.8Very high120 Ų12062 Ų6256%0.56131%0.308SS*.Hα-helixtrans-87-9.4177.7-57.5-56-32.500113.6H597 D598 L599H597-Q601 PolarHBondContact O-N 3.14Å; D598-Q601 PolarHBondContact O-N 3.31Å; L599-Q601 VanDerWaalsContact C-N 3.27Å; L599-Q601 PolarHBondContact O-N 2.72Å
602H96.7Very high95.8Very high57 Ų5762.7 Ų62.726%0.26431%0.313SS..  trans-82.2126.7-171-162.1-73.3000112.8L591 D598 L599 I604 I605 H606L591-H602 WeakPolarHBondContact CD2-NE2 3.28Å; D598-H602 WeakPolarHBondContact O-CB 3.49Å; D598-H602 PolarHBondContact O-N 2.98Å; D598-H602 VanDerWaalsContact O-N 3.16Å; L599-H602 PolarHBondContact O-N 3.16Å; H602-I604 PolarHBondContact ND1-N 2.92Å; H602-I604 PolarHBondContact O-N 2.6Å; H602-I605 HydrophobicContact CB-CB 4.37Å; H602-I605 HydrophobicContact CB-CG1 3.84Å; H602-I605 WeakPolarHBondContact O-CB 3.07Å; H602-I605 PolarHBondContact O-N 3.11Å; H602-H606 PolarHBondContact O-N 3.27Å
603E94.7Very high96Very high131 Ų13161.3 Ų61.361%0.61231%0.305SS*.Hα-helixtrans-60.4-39.8-173.9-165.4-167.6156.500113.3I605 H606 R607E603-I605 VanDerWaalsContact C-N 3.26Å; E603-I605 PolarHBondContact O-N 2.86Å; E603-H606 PolarHBondContact O-N 2.91Å; E603-R607 WeakPolarHBondContact O-CB 3.43Å; E603-R607 PolarHBondContact O-N 3.42Å; E603-R607 IonicContact OE1-CZ 3.37Å; E603-R607 IonicContact OE1-NH2 3.09Å; E603-R607 PolarHBondContact OE1-NH2 2.9Å
604I94Very high96Very high77 Ų7756.7 Ų56.740%0.39528%0.28SS..Hα-helixtrans-59.2-40.5176.3-62.2-178.9000110.9L591 H602 R607 K608L591-I604 HydrophobicContact CD1-CB 4.26Å; L591-I604 HydrophobicContact CD1-CD1 4.45Å; L591-I604 HydrophobicContact CD1-CG2 4.18Å; H602-I604 PolarHBondContact ND1-N 2.92Å; H602-I604 PolarHBondContact O-N 2.6Å; I604-R607 PolarHBondContact O-N 3.44Å; I604-K608 WeakPolarHBondContact O-CB 3.49Å; I604-K608 PolarHBondContact O-N 3.15Å
605I97Very high96Very high0 Ų059.4 Ų59.40%029%0.291CS..Hα-helixtrans-68.7-46.9179.7-54.6-58.9000109.3L580 L584 L591 L599 H602 E603 R607 K608 Y609 L633L580-I605 HydrophobicContact CD1-CD1 4.46Å; L580-I605 HydrophobicContact CD1-CG2 4.41Å; L580-I605 HydrophobicContact CD2-CG2 4.08Å; L584-I605 HydrophobicContact CD1-CD1 3.81Å; L584-I605 HydrophobicContact CD2-CD1 3.54Å; L584-I605 HydrophobicContact CG-CD1 4.25Å; L591-I605 HydrophobicContact CD1-CD1 3.99Å; L599-I605 HydrophobicContact CD2-CD1 4.1Å; L599-I605 HydrophobicContact CD2-CG1 4.08Å; L599-I605 WeakPolarHBondContact O-CB 3.48Å; L599-I605 WeakPolarHBondContact O-CG1 3.39Å; H602-I605 HydrophobicContact CB-CB 4.37Å; H602-I605 HydrophobicContact CB-CG1 3.84Å; H602-I605 WeakPolarHBondContact O-CB 3.07Å; H602-I605 PolarHBondContact O-N 3.11Å; E603-I605 VanDerWaalsContact C-N 3.26Å; E603-I605 PolarHBondContact O-N 2.86Å; I605-R607 VanDerWaalsContact C-N 3.3Å; I605-R607 PolarHBondContact O-N 2.87Å; I605-K608 WeakPolarHBondContact O-CB 3.29Å; I605-K608 PolarHBondContact O-N 2.79Å; I605-K608 VanDerWaalsContact O-N 3.08Å; I605-Y609 HydrophobicContact CG2-CD2 3.89Å; I605-Y609 HydrophobicContact CG2-CE2 3.76Å; I605-Y609 WeakPolarHBondContact O-CD2 3.19Å; I605-Y609 PolarHBondContact O-N 3.29Å; I605-L633 HydrophobicContact CB-CD1 4.43Å; I605-L633 HydrophobicContact CG2-CD1 3.69Å
606H96.1Very high95.6Very high50 Ų5057.8 Ų57.823%0.23128%0.278CS..Hα-helixtrans-54.2-46.4175.5-165.7-84.3000112.4H602 E603 K608 Y609 L610 I631H602-H606 PolarHBondContact O-N 3.27Å; E603-H606 PolarHBondContact O-N 2.91Å; H606-K608 PolarHBondContact O-N 3.33Å; H606-Y609 PolarHBondContact O-N 3.35Å; H606-L610 PolarHBondContact O-N 2.86Å; H606-I631 VanDerWaalsContact NE2-CG1 3.31Å; H606-I631 WeakPolarHBondContact NE2-CG1 3.48Å; H606-I631 PolarHBondContact NE2-O 2.98Å
607R95.3Very high95.2Very high147 Ų14754.9 Ų54.956%0.55526%0.262SS*.Hα-helixtrans-65.3-38.3177.3-162.5176.6-65.7-165.11.1112.3E603 I604 I605 L610 N611E603-R607 WeakPolarHBondContact O-CB 3.43Å; E603-R607 PolarHBondContact O-N 3.42Å; E603-R607 IonicContact OE1-CZ 3.37Å; E603-R607 IonicContact OE1-NH2 3.09Å; E603-R607 PolarHBondContact OE1-NH2 2.9Å; I604-R607 PolarHBondContact O-N 3.44Å; I605-R607 VanDerWaalsContact C-N 3.3Å; I605-R607 PolarHBondContact O-N 2.87Å; R607-L610 PolarHBondContact O-N 3.46Å; R607-N611 WeakPolarHBondContact O-CB 3.16Å; R607-N611 VanDerWaalsContact O-CG 3.24Å; R607-N611 PolarHBondContact O-N 2.87Å; R607-N611 PolarHBondContact O-ND2 3.39Å
608K95.8Very high94.8Very high39 Ų3954.3 Ų54.317%0.1726%0.262CS..Hα-helixtrans-59.1-47.9174.2-174-175.5179.681.40111L580 S583 I604 I605 H606 N611 V612L580-K608 HydrophobicContact CD1-CD 4.28Å; S583-K608 VanDerWaalsContact OG-CE 3.28Å; S583-K608 WeakPolarHBondContact OG-CE 3.49Å; S583-K608 PolarHBondContact OG-NZ 3.43Å; I604-K608 WeakPolarHBondContact O-CB 3.49Å; I604-K608 PolarHBondContact O-N 3.15Å; I605-K608 WeakPolarHBondContact O-CB 3.29Å; I605-K608 PolarHBondContact O-N 2.79Å; I605-K608 VanDerWaalsContact O-N 3.08Å; H606-K608 PolarHBondContact O-N 3.33Å; K608-N611 PolarHBondContact O-N 3.31Å; K608-V612 WeakPolarHBondContact O-CG2 3.24Å; K608-V612 PolarHBondContact O-N 3.46Å; K608-V612 VanDerWaalsContact O-N 3.12Å
609Y97.3Very high94.2Very high2 Ų257.1 Ų57.11%0.00827%0.273CS..Hα-helixtrans-63.8-48177.5-85.5-96000112.1L554 I555 I573 P575 L580 I605 H606 N611 V612 L613 I631 L633L554-Y609 HydrophobicContact CB-CE1 4.04Å; L554-Y609 PolarHBondContact O-OH 2.88Å; I555-Y609 HydrophobicContact CG1-CD1 4.46Å; I555-Y609 HydrophobicContact CG1-CE1 4.09Å; I573-Y609 HydrophobicContact CD1-CD1 4.47Å; I573-Y609 HydrophobicContact CG2-CD1 4.22Å; I573-Y609 HydrophobicContact CG2-CE1 3.97Å; P575-Y609 WeakPolarHBondContact CA-OH 3.2Å; P575-Y609 WeakPolarHBondContact CB-OH 3.46Å; L580-Y609 HydrophobicContact CD1-CE2 4.12Å; L580-Y609 HydrophobicContact CD2-CE2 4.31Å; I605-Y609 HydrophobicContact CG2-CD2 3.89Å; I605-Y609 HydrophobicContact CG2-CE2 3.76Å; I605-Y609 WeakPolarHBondContact O-CD2 3.19Å; I605-Y609 PolarHBondContact O-N 3.29Å; H606-Y609 PolarHBondContact O-N 3.35Å; Y609-N611 VanDerWaalsContact C-N 3.3Å; Y609-N611 PolarHBondContact O-N 3.46Å; Y609-V612 PolarHBondContact O-N 2.89Å; Y609-L613 WeakPolarHBondContact O-CB 3.49Å; Y609-L613 VanDerWaalsContact O-CG 3.23Å; Y609-L613 WeakPolarHBondContact O-CG 3.44Å; Y609-L613 PolarHBondContact O-N 3.43Å; Y609-I631 VanDerWaalsContact CB-CD1 3.43Å; Y609-I631 HydrophobicContact CG-CD1 4.43Å; Y609-L633 HydrophobicContact CD1-CD2 4.07Å; Y609-L633 HydrophobicContact CD2-CD1 3.91Å; Y609-L633 HydrophobicContact CD2-CD2 4.05Å; Y609-L633 HydrophobicContact CE1-CD2 4.36Å; Y609-L633 HydrophobicContact CE2-CD1 4.21Å; Y609-L633 HydrophobicContact CE2-CD2 4.34Å; Y609-L633 HydrophobicContact CG-CD1 4.5Å; Y609-L633 HydrophobicContact CG-CD2 3.92Å
610L96.7Very high93.3Very high39 Ų3962 Ų6220%0.20429%0.292CS..Hα-helixtrans-57.6-41.5177.9-78.4176.2000112.7H606 R607 L613 D614 I631H606-L610 PolarHBondContact O-N 2.86Å; R607-L610 PolarHBondContact O-N 3.46Å; L610-L613 PolarHBondContact O-N 2.89Å; L610-D614 PolarHBondContact O-N 3.14Å; L610-I631 HydrophobicContact CD2-CD1 4.16Å; L610-I631 HydrophobicContact CD2-CG1 4.07Å; L610-I631 HydrophobicContact CD2-CG2 3.91Å; L610-I631 HydrophobicContact CG-CD1 3.97Å; L610-I631 HydrophobicContact CG-CG1 4.12Å
611N95.8Very high92.4Very high95 Ų9570.7 Ų70.751%0.50833%0.329SS..Hα-helixtrans-63-44.3176.8-74.7-23.4000112.1R607 K608 Y609 D614 Q615R607-N611 WeakPolarHBondContact O-CB 3.16Å; R607-N611 VanDerWaalsContact O-CG 3.24Å; R607-N611 PolarHBondContact O-N 2.87Å; R607-N611 PolarHBondContact O-ND2 3.39Å; K608-N611 PolarHBondContact O-N 3.31Å; Y609-N611 VanDerWaalsContact C-N 3.3Å; Y609-N611 PolarHBondContact O-N 3.46Å; N611-D614 PolarHBondContact O-N 2.81Å; N611-Q615 VanDerWaalsContact O-CG 3.28Å; N611-Q615 WeakPolarHBondContact O-CG 3.39Å; N611-Q615 PolarHBondContact O-N 3.21Å
612V94.1Very high91.5Very high34 Ų3465.6 Ų65.621%0.20631%0.306CS..Hα-helixtrans-65-43177.9171.70000110.9C552 L554 K608 Y609 Q615 I616C552-V612 VanDerWaalsContact SG-CG1 3.56Å; L554-V612 HydrophobicContact CD1-CG2 4.25Å; K608-V612 WeakPolarHBondContact O-CG2 3.24Å; K608-V612 PolarHBondContact O-N 3.46Å; K608-V612 VanDerWaalsContact O-N 3.12Å; Y609-V612 PolarHBondContact O-N 2.89Å; V612-Q615 WeakPolarHBondContact O-CB 3.44Å; V612-Q615 PolarHBondContact O-N 2.57Å; V612-I616 HydrophobicContact CG1-CD1 3.94Å; V612-I616 VanDerWaalsContact O-CG1 3.31Å; V612-I616 WeakPolarHBondContact O-CG1 3.24Å; V612-I616 PolarHBondContact O-N 3.34Å
613L95.9Very high90.5Very high2 Ų268.8 Ų68.81%0.0132%0.319CS..Hα-helixtrans-63.8-41.6177.4-66.8169.4000112Y549 I555 I573 Y609 L610 I616 A617 L628 I631Y549-L613 HydrophobicContact CD1-CB 4.5Å; Y549-L613 HydrophobicContact CD1-CD2 3.33Å; Y549-L613 HydrophobicContact CE1-CB 4.11Å; Y549-L613 HydrophobicContact CE1-CD2 3.78Å; Y549-L613 WeakPolarHBondContact CE1-O 3.14Å; Y549-L613 HydrophobicContact CG-CD2 3.82Å; I555-L613 HydrophobicContact CD1-CD2 3.84Å; I573-L613 HydrophobicContact CD1-CD1 3.77Å; Y609-L613 WeakPolarHBondContact O-CB 3.49Å; Y609-L613 VanDerWaalsContact O-CG 3.23Å; Y609-L613 WeakPolarHBondContact O-CG 3.44Å; Y609-L613 PolarHBondContact O-N 3.43Å; L610-L613 PolarHBondContact O-N 2.89Å; L613-I616 PolarHBondContact O-N 3.17Å; L613-A617 WeakPolarHBondContact O-CB 3.23Å; L613-A617 PolarHBondContact O-N 2.95Å; L613-L628 HydrophobicContact CD1-CD1 4.06Å; L613-L628 HydrophobicContact CD2-CD1 4.3Å; L613-I631 HydrophobicContact CD1-CD1 4.24Å; L613-I631 HydrophobicContact CD1-CG2 3.77Å
614D95Very high89.9Confident55 Ų5564.7 Ų64.729%0.29431%0.311SS..Hα-helixtrans-67.5-37.5176.3-168.967.7000111.7L610 N611 A617 N618 K627L610-D614 PolarHBondContact O-N 3.14Å; N611-D614 PolarHBondContact O-N 2.81Å; D614-A617 PolarHBondContact O-N 3.28Å; D614-N618 WeakPolarHBondContact O-CB 3.33Å; D614-N618 PolarHBondContact O-N 3.5Å; D614-N618 PolarHBondContact O-ND2 3.25Å; D614-N618 PolarHBondContact OD2-ND2 2.89Å; D614-K627 WeakPolarHBondContact OD1-CD 3.22Å; D614-K627 IonicContact OD1-NZ 2.97Å; D614-K627 PolarHBondContact OD1-NZ 3.1Å; D614-K627 IonicContact OD2-NZ 2.88Å
615Q93.1Very high89.3Confident112 Ų11262.4 Ų62.452%0.52330%0.299SS..Hα-helixtrans-59.3-48.3172.5-74.9175.23.100111.8N611 V612 A617 N618 Q619N611-Q615 VanDerWaalsContact O-CG 3.28Å; N611-Q615 WeakPolarHBondContact O-CG 3.39Å; N611-Q615 PolarHBondContact O-N 3.21Å; V612-Q615 WeakPolarHBondContact O-CB 3.44Å; V612-Q615 PolarHBondContact O-N 2.57Å; Q615-A617 VanDerWaalsContact C-N 3.33Å; Q615-A617 PolarHBondContact O-N 3.42Å; Q615-N618 PolarHBondContact O-N 3.22Å; Q615-Q619 WeakPolarHBondContact O-CB 3.28Å; Q615-Q619 VanDerWaalsContact O-CG 3.25Å; Q615-Q619 WeakPolarHBondContact O-CG 3.34Å; Q615-Q619 PolarHBondContact O-N 2.9Å
616I88.8Confident88.8Confident18 Ų1863.4 Ų63.49%0.09230%0.304CS..Hα-helixtrans-59.8-45.6176.5-67.4166.4000110.1L548 Y549 C552 V612 L613 N618 Q619 R620L548-I616 HydrophobicContact CD2-CG2 3.45Å; L548-I616 VanDerWaalsContact CD2-CG2 3.45Å; L548-I616 HydrophobicContact CG-CG2 4.47Å; Y549-I616 HydrophobicContact CD1-CB 4.27Å; Y549-I616 HydrophobicContact CD1-CD1 4.44Å; Y549-I616 HydrophobicContact CD1-CG2 3.9Å; Y549-I616 HydrophobicContact CE1-CB 4.21Å; Y549-I616 HydrophobicContact CE1-CG2 4.05Å; C552-I616 HydrophobicContact CB-CD1 3.76Å; V612-I616 HydrophobicContact CG1-CD1 3.94Å; V612-I616 VanDerWaalsContact O-CG1 3.31Å; V612-I616 WeakPolarHBondContact O-CG1 3.24Å; V612-I616 PolarHBondContact O-N 3.34Å; L613-I616 PolarHBondContact O-N 3.17Å; I616-N618 VanDerWaalsContact C-N 3.35Å; I616-N618 PolarHBondContact O-N 2.97Å; I616-Q619 PolarHBondContact O-N 2.92Å; I616-R620 HydrophobicContact CG2-CG 4.37Å; I616-R620 WeakPolarHBondContact O-CB 3.36Å; I616-R620 VanDerWaalsContact O-CG 3.3Å; I616-R620 WeakPolarHBondContact O-CG 3.31Å; I616-R620 PolarHBondContact O-N 3.43Å
617A88.4Confident88.6Confident0 Ų062.4 Ų62.40%030%0.299CS..Hα-helixtrans-59.8-43.8179.500000112.5L613 D614 Q615 R620 F621 L622 K627L613-A617 WeakPolarHBondContact O-CB 3.23Å; L613-A617 PolarHBondContact O-N 2.95Å; D614-A617 PolarHBondContact O-N 3.28Å; Q615-A617 VanDerWaalsContact C-N 3.33Å; Q615-A617 PolarHBondContact O-N 3.42Å; A617-R620 PolarHBondContact O-N 3.26Å; A617-F621 PolarHBondContact O-N 3.32Å; A617-F621 VanDerWaalsContact O-N 3.14Å; A617-L622 HydrophobicContact CB-CB 4.17Å; A617-L622 HydrophobicContact CB-CD1 3.86Å; A617-L622 HydrophobicContact CB-CG 4.31Å; A617-L622 PolarHBondContact O-N 3.06Å; A617-K627 HydrophobicContact CB-CD 4.47Å; A617-K627 HydrophobicContact CB-CG 4Å
618N89.1Confident88.6Confident80 Ų8055.9 Ų55.943%0.42827%0.274SS..Hα-helixtrans-65.6-46.2176.9-69.9-38.1000111.7D614 Q615 I616 R620 F621 K627D614-N618 WeakPolarHBondContact O-CB 3.33Å; D614-N618 PolarHBondContact O-N 3.5Å; D614-N618 PolarHBondContact O-ND2 3.25Å; D614-N618 PolarHBondContact OD2-ND2 2.89Å; Q615-N618 PolarHBondContact O-N 3.22Å; I616-N618 VanDerWaalsContact C-N 3.35Å; I616-N618 PolarHBondContact O-N 2.97Å; N618-R620 PolarHBondContact O-N 2.9Å; N618-F621 PolarHBondContact O-N 3.41Å; N618-F621 VanDerWaalsContact O-N 3.14Å; N618-K627 WeakPolarHBondContact OD1-CE 3.5Å; N618-K627 PolarHBondContact OD1-NZ 2.98Å
619Q84.5Confident88.4Confident135 Ų13558.1 Ų58.163%0.63128%0.284SS*.Hα-helixtrans-61.9-30.7178.8-74.3174.73.200112.7Q615 I616Q615-Q619 WeakPolarHBondContact O-CB 3.28Å; Q615-Q619 VanDerWaalsContact O-CG 3.25Å; Q615-Q619 WeakPolarHBondContact O-CG 3.34Å; Q615-Q619 PolarHBondContact O-N 2.9Å; I616-Q619 PolarHBondContact O-N 2.92Å
620R78Confident88.3Confident103 Ų10360.4 Ų60.439%0.38929%0.294SS..THydrogen-bonded Turntrans-977.9179.4-59.3-65.2-173.8171.32.3113.6E412 L548 I616 A617 N618 L622E412-R620 IonicContact OE2-CZ 3.29Å; E412-R620 IonicContact OE2-NH1 3.39Å; E412-R620 PolarHBondContact OE2-NH1 3.1Å; E412-R620 VanDerWaalsContact OE2-NH1 3.17Å; E412-R620 IonicContact OE2-NH2 2.73Å; E412-R620 PolarHBondContact OE2-NH2 3.02Å; L548-R620 HydrophobicContact CD1-CB 3.76Å; L548-R620 HydrophobicContact CD1-CG 3.88Å; L548-R620 HydrophobicContact CD2-CG 4.37Å; L548-R620 HydrophobicContact CG-CG 4.15Å; I616-R620 HydrophobicContact CG2-CG 4.37Å; I616-R620 WeakPolarHBondContact O-CB 3.36Å; I616-R620 VanDerWaalsContact O-CG 3.3Å; I616-R620 WeakPolarHBondContact O-CG 3.31Å; I616-R620 PolarHBondContact O-N 3.43Å; A617-R620 PolarHBondContact O-N 3.26Å; N618-R620 PolarHBondContact O-N 2.9Å; R620-L622 HydrophobicContact CB-CG 4.49Å; R620-L622 PolarHBondContact O-N 3.09Å
621F77.4Confident88.3Confident188 Ų18858.6 Ų58.683%0.82529%0.285SS*.THydrogen-bonded Turntrans53.536.9179-50.8-81000113.6A617 N618A617-F621 PolarHBondContact O-N 3.32Å; A617-F621 VanDerWaalsContact O-N 3.14Å; N618-F621 PolarHBondContact O-N 3.41Å; N618-F621 VanDerWaalsContact O-N 3.14Å
622L78.6Confident88.4Confident14 Ų1455.4 Ų55.47%0.07327%0.267CS..  trans-60.9140.6173.7-68.3-171.8000110.2L545 L548 Y549 A617 R620 E626L545-L622 HydrophobicContact CD2-CD1 3.85Å; L545-L622 HydrophobicContact CD2-CD2 3.93Å; L548-L622 HydrophobicContact CD1-CD1 4.32Å; L548-L622 HydrophobicContact CD1-CD2 3.86Å; L548-L622 HydrophobicContact CD1-CG 4.29Å; L548-L622 HydrophobicContact CD2-CD1 4.15Å; Y549-L622 HydrophobicContact CE2-CD1 4.35Å; A617-L622 HydrophobicContact CB-CB 4.17Å; A617-L622 HydrophobicContact CB-CD1 3.86Å; A617-L622 HydrophobicContact CB-CG 4.31Å; A617-L622 PolarHBondContact O-N 3.06Å; R620-L622 HydrophobicContact CB-CG 4.49Å; R620-L622 PolarHBondContact O-N 3.09Å; L622-E626 HydrophobicContact CB-CB 4.24Å
623K74.6Confident88.6Confident123 Ų12353.9 Ų53.954%0.53526%0.258SS..  trans-64.8154.7175.5-63-179.4-179.7-179.30109.4F625 E626K623-F625 VanDerWaalsContact C-N 3.27Å; K623-F625 HydrophobicContact CB-CD1 3.94Å; K623-F625 HydrophobicContact CB-CE1 3.72Å; K623-F625 HydrophobicContact CB-CZ 4.11Å; K623-F625 HydrophobicContact CD-CD1 4.36Å; K623-F625 HydrophobicContact CD-CE1 3.35Å; K623-F625 HydrophobicContact CD-CZ 3.48Å; K623-F625 VanDerWaalsContact CD-CZ 3.48Å; K623-F625 HydrophobicContact CG-CE1 4.2Å; K623-F625 HydrophobicContact CG-CZ 4.44Å; K623-F625 PolarHBondContact O-N 3.26Å; K623-E626 HydrophobicContact CB-CG 4.07Å; K623-E626 PolarHBondContact N-OE2 3.44Å; K623-E626 WeakPolarHBondContact O-CB 3.38Å; K623-E626 PolarHBondContact O-N 3.17Å
624G82.9Confident88.7Confident45 Ų4554.3 Ų54.346%0.46426%0.26SS..G310 helixtrans-50.9-46.6-177.500000113Y568 E626 K627Y568-G624 WeakPolarHBondContact CD1-O 3.42Å; Y568-G624 WeakPolarHBondContact CE1-O 3.39Å; G624-E626 PolarHBondContact O-N 3.36Å; G624-K627 WeakPolarHBondContact O-CB 3.26Å; G624-K627 PolarHBondContact O-N 2.9Å
625F81.2Confident88.7Confident29 Ų2955 Ų5513%0.12726%0.264CS..G310 helixtrans-68.9-11.8179.667.8-103.8000114.8L534 Q536 E538 V540 P569 K623L534-F625 HydrophobicContact CD1-CB 3.98Å; L534-F625 HydrophobicContact CD1-CD2 4.09Å; L534-F625 HydrophobicContact CD1-CG 4.49Å; L534-F625 WeakPolarHBondContact CD1-O 3.39Å; Q536-F625 VanDerWaalsContact NE2-CB 3.3Å; E538-F625 HydrophobicContact CB-CD1 4.1Å; E538-F625 HydrophobicContact CB-CD2 3.86Å; E538-F625 HydrophobicContact CB-CE1 4.1Å; E538-F625 HydrophobicContact CB-CE2 3.9Å; E538-F625 HydrophobicContact CB-CG 3.97Å; E538-F625 HydrophobicContact CB-CZ 4Å; E538-F625 HydrophobicContact CG-CD1 3.74Å; E538-F625 HydrophobicContact CG-CD2 4.42Å; E538-F625 HydrophobicContact CG-CE1 3.74Å; E538-F625 HydrophobicContact CG-CE2 4.45Å; E538-F625 HydrophobicContact CG-CG 4.08Å; E538-F625 HydrophobicContact CG-CZ 4.11Å; E538-F625 WeakPolarHBondContact OE2-CE1 3.38Å; E538-F625 VanDerWaalsContact OE2-CZ 3.28Å; E538-F625 WeakPolarHBondContact OE2-CZ 3.42Å; V540-F625 HydrophobicContact CG2-CD2 4.08Å; V540-F625 HydrophobicContact CG2-CE2 4.38Å; P569-F625 WeakPolarHBondContact CD-O 3.41Å; K623-F625 VanDerWaalsContact C-N 3.27Å; K623-F625 HydrophobicContact CB-CD1 3.94Å; K623-F625 HydrophobicContact CB-CE1 3.72Å; K623-F625 HydrophobicContact CB-CZ 4.11Å; K623-F625 HydrophobicContact CD-CD1 4.36Å; K623-F625 HydrophobicContact CD-CE1 3.35Å; K623-F625 HydrophobicContact CD-CZ 3.48Å; K623-F625 VanDerWaalsContact CD-CZ 3.48Å; K623-F625 HydrophobicContact CG-CE1 4.2Å; K623-F625 HydrophobicContact CG-CZ 4.44Å; K623-F625 PolarHBondContact O-N 3.26Å
626E85.5Confident88.8Confident22 Ų2254 Ų5410%0.10326%0.259CS..G310 helixtrans-90.9-8.7178.5-60.7-179.113400112.1R544 L545 L622 K623 G624R544-E626 IonicContact CZ-OE1 2.85Å; R544-E626 IonicContact NH2-OE1 3.27Å; R544-E626 PolarHBondContact NH2-OE1 3.35Å; R544-E626 IonicContact NH2-OE2 2.93Å; R544-E626 PolarHBondContact NH2-OE2 3.24Å; L545-E626 HydrophobicContact CD1-CB 4.3Å; L545-E626 WeakPolarHBondContact CD1-O 3.39Å; L545-E626 HydrophobicContact CD2-CB 4.12Å; L622-E626 HydrophobicContact CB-CB 4.24Å; K623-E626 HydrophobicContact CB-CG 4.07Å; K623-E626 PolarHBondContact N-OE2 3.44Å; K623-E626 WeakPolarHBondContact O-CB 3.38Å; K623-E626 PolarHBondContact O-N 3.17Å; G624-E626 PolarHBondContact O-N 3.36Å
627K93.1Very high89Confident29 Ų2956.3 Ų56.313%0.12627%0.274CS..SBendtrans-76.3138.5-178.3-64.8-173.6164.8-156.50111.7D614 A617 N618 G624 K629D614-K627 WeakPolarHBondContact OD1-CD 3.22Å; D614-K627 IonicContact OD1-NZ 2.97Å; D614-K627 PolarHBondContact OD1-NZ 3.1Å; D614-K627 IonicContact OD2-NZ 2.88Å; A617-K627 HydrophobicContact CB-CD 4.47Å; A617-K627 HydrophobicContact CB-CG 4Å; N618-K627 WeakPolarHBondContact OD1-CE 3.5Å; N618-K627 PolarHBondContact OD1-NZ 2.98Å; G624-K627 WeakPolarHBondContact O-CB 3.26Å; G624-K627 PolarHBondContact O-N 2.9Å; K627-K629 PolarHBondContact O-N 3.2Å
628L94.6Very high89.3Confident9 Ų956.4 Ų56.45%0.04728%0.275CS..  trans-75.7112.3171-62.3172.5000110.4Y549 I558 I560 P569 A571 L613 I631Y549-L628 HydrophobicContact CD2-CD1 3.77Å; Y549-L628 HydrophobicContact CE2-CD1 3.53Å; Y549-L628 HydrophobicContact CE2-CG 3.85Å; Y549-L628 HydrophobicContact CG-CD1 4.38Å; I558-L628 HydrophobicContact CD1-CD1 4.21Å; I560-L628 HydrophobicContact CD1-CD1 4.2Å; I560-L628 HydrophobicContact CD1-CD2 4.23Å; I560-L628 HydrophobicContact CG1-CD2 4.27Å; I560-L628 HydrophobicContact CG2-CD2 4.21Å; P569-L628 HydrophobicContact CB-CD2 4.11Å; P569-L628 HydrophobicContact CG-CD2 4.11Å; A571-L628 HydrophobicContact CB-CD1 3.65Å; A571-L628 HydrophobicContact CB-CD2 3.82Å; A571-L628 HydrophobicContact CB-CG 4.32Å; L613-L628 HydrophobicContact CD1-CD1 4.06Å; L613-L628 HydrophobicContact CD2-CD1 4.3Å; L628-I631 HydrophobicContact CB-CG2 4.37Å
629K91.4Very high89.2Confident86 Ų8654.5 Ų54.537%0.37427%0.266SS..  trans-94.6-25.9177.8-65.9-57.7-173.7-1770113.5Y568 K627 I671Y568-K629 HydrophobicContact CD1-CG 3.79Å; Y568-K629 HydrophobicContact CD2-CG 3.76Å; Y568-K629 HydrophobicContact CE1-CG 4.21Å; Y568-K629 HydrophobicContact CE2-CG 4.14Å; Y568-K629 HydrophobicContact CG-CB 4.4Å; Y568-K629 HydrophobicContact CG-CG 3.55Å; K627-K629 PolarHBondContact O-N 3.2Å; K629-I671 HydrophobicContact CB-CD1 4.31Å; K629-I671 HydrophobicContact CB-CG1 4.26Å
630K95.1Very high89Confident50 Ų5050.5 Ų50.522%0.21725%0.248CC..EExtended strand (participates in β ladder)trans-136.3143.8177.3-70.2-68-171.2146.50109.3V570 A571 L667 E670 I671V570-K630 WeakPolarHBondContact CA-O 3.48Å; V570-K630 HydrophobicContact CG1-CB 4.2Å; A571-K630 PolarHBondContact N-O 2.95Å; K630-L667 HydrophobicContact CB-CB 4.11Å; K630-L667 HydrophobicContact CB-CD2 4.21Å; K630-E670 WeakPolarHBondContact CE-OE2 3.39Å; K630-E670 IonicContact NZ-OE2 3.15Å; K630-E670 PolarHBondContact NZ-OE2 2.87Å; K630-I671 HydrophobicContact CB-CD1 4.05Å; K630-I671 HydrophobicContact CB-CG1 4.1Å; K630-I671 HydrophobicContact CG-CD1 4.03Å; K630-I671 HydrophobicContact CG-CG1 3.51Å
631I97.3Very high89.1Confident1 Ų153.4 Ų53.41%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-137.2161.1179.763.7178000109.7A571 I573 H606 Y609 L610 L613 L628 L633A571-I631 HydrophobicContact CB-CG2 4.1Å; A571-I631 CarbonylContact O-C 3.52Å; A571-I631 WeakPolarHBondContact O-CA 3.28Å; I573-I631 HydrophobicContact CD1-CB 4.25Å; I573-I631 HydrophobicContact CD1-CD1 4.28Å; I573-I631 HydrophobicContact CD1-CG2 4.07Å; H606-I631 VanDerWaalsContact NE2-CG1 3.31Å; H606-I631 WeakPolarHBondContact NE2-CG1 3.48Å; H606-I631 PolarHBondContact NE2-O 2.98Å; Y609-I631 VanDerWaalsContact CB-CD1 3.43Å; Y609-I631 HydrophobicContact CG-CD1 4.43Å; L610-I631 HydrophobicContact CD2-CD1 4.16Å; L610-I631 HydrophobicContact CD2-CG1 4.07Å; L610-I631 HydrophobicContact CD2-CG2 3.91Å; L610-I631 HydrophobicContact CG-CD1 3.97Å; L610-I631 HydrophobicContact CG-CG1 4.12Å; L613-I631 HydrophobicContact CD1-CD1 4.24Å; L613-I631 HydrophobicContact CD1-CG2 3.77Å; L628-I631 HydrophobicContact CB-CG2 4.37Å; I631-L633 HydrophobicContact CD1-CD2 4.17Å
632H97.9Very high89.7Confident29 Ų2947.1 Ų47.113%0.13424%0.241CC..EExtended strand (participates in β ladder)trans-126128165.5177.568.6000108.4A571 I572 I573 I663 L667A571-H632 PolarHBondContact O-N 3.2Å; I572-H632 CarbonylContact C-O 3.53Å; I572-H632 WeakPolarHBondContact CA-O 3.45Å; I572-H632 HydrophobicContact CD1-CB 3.78Å; I573-H632 PolarHBondContact N-O 3.12Å; H632-I663 HydrophobicContact CB-CG2 3.69Å; H632-L667 HydrophobicContact CB-CD1 3.99Å
633L98.2Very high89.8Confident2 Ų246.9 Ų46.91%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-92.6137.1173.1-56.8178.7000108.1I573 P575 C600 I605 Y609 I631I573-L633 HydrophobicContact CB-CD2 3.91Å; I573-L633 HydrophobicContact CG2-CD2 3.99Å; I573-L633 WeakPolarHBondContact O-CA 3.45Å; P575-L633 HydrophobicContact CG-CD2 4.49Å; C600-L633 HydrophobicContact CB-CB 3.8Å; I605-L633 HydrophobicContact CB-CD1 4.43Å; I605-L633 HydrophobicContact CG2-CD1 3.69Å; Y609-L633 HydrophobicContact CD1-CD2 4.07Å; Y609-L633 HydrophobicContact CD2-CD1 3.91Å; Y609-L633 HydrophobicContact CD2-CD2 4.05Å; Y609-L633 HydrophobicContact CE1-CD2 4.36Å; Y609-L633 HydrophobicContact CE2-CD1 4.21Å; Y609-L633 HydrophobicContact CE2-CD2 4.34Å; Y609-L633 HydrophobicContact CG-CD1 4.5Å; Y609-L633 HydrophobicContact CG-CD2 3.92Å; I631-L633 HydrophobicContact CD1-CD2 4.17Å
634T97.3Very high90.5Very high10 Ų1041 Ų416%0.06122%0.217CC..  trans-136.1141.1178.6-179.70000110.1I572 I573 V574 P575 E636I572-T634 HydrophobicContact CG2-CG2 3.76Å; I573-T634 PolarHBondContact O-N 3.45Å; V574-T634 WeakPolarHBondContact CA-O 3.15Å; V574-T634 HydrophobicContact CG2-CG2 3.98Å; P575-T634 VanDerWaalsContact CD-O 3.23Å; P575-T634 WeakPolarHBondContact CD-O 3.21Å; T634-E636 PolarHBondContact OG1-N 3.35Å
635D95.8Very high90.4Very high69 Ų6940 Ų4037%0.36920%0.2SC..SBendtrans-85.5-14.117159.8-27.3000112.2F577 D596 H597 T637F577-D635 HydrophobicContact CE2-CB 4.35Å; F577-D635 HydrophobicContact CZ-CB 3.97Å; D596-D635 HydrophobicContact CB-CB 4.05Å; H597-D635 WeakPolarHBondContact CB-OD2 3.19Å; H597-D635 IonicContact CD2-OD2 2.85Å; D635-T637 PolarHBondContact O-N 3.04Å; D635-T637 VanDerWaalsContact O-N 3.16Å
636E95.1Very high90.1Very high92 Ų9239.9 Ų39.943%0.4320%0.202SC..  trans-69.6107.8171.3-166.9-178.217400111.7V574 T634 N642V574-E636 WeakPolarHBondContact CG2-O 3.17Å; T634-E636 PolarHBondContact OG1-N 3.35Å; E636-N642 PolarHBondContact OE1-ND2 3.25Å
637T94Very high89.2Confident67 Ų6740.8 Ų40.841%0.41121%0.21SC..  trans-70.5140175.7-600000111Q557 D635 T639 N642Q557-T637 VanDerWaalsContact OE1-CG2 3.29Å; D635-T637 PolarHBondContact O-N 3.04Å; D635-T637 VanDerWaalsContact O-N 3.16Å; T637-T639 HydrophobicContact CG2-CG2 4.1Å; T637-T639 PolarHBondContact O-N 3.34Å; T637-N642 PolarHBondContact O-ND2 2.78Å
638F92.8Very high87.6Confident2 Ų242 Ų421%0.00922%0.22CC..  trans-76.2122.5172.8-51.1-20000109.2Q557 F559 I572 V574 L644 L645 I651 Y660Q557-F638 HydrophobicContact CB-CD2 4.07Å; Q557-F638 HydrophobicContact CB-CE2 4.3Å; Q557-F638 PolarHBondContact NE2-O 3.49Å; F559-F638 HydrophobicContact CB-CE2 3.79Å; F559-F638 HydrophobicContact CB-CZ 4.02Å; I572-F638 HydrophobicContact CG2-CZ 4.2Å; V574-F638 HydrophobicContact CG2-CD1 4.25Å; V574-F638 HydrophobicContact CG2-CE1 4.05Å; V574-F638 HydrophobicContact CG2-CZ 4.29Å; F638-L644 HydrophobicContact CB-CB 3.71Å; F638-L644 HydrophobicContact CB-CD1 4.41Å; F638-L644 HydrophobicContact CD1-CB 4.17Å; F638-L644 HydrophobicContact CD1-CD1 3.45Å; F638-L644 VanDerWaalsContact CD1-CD1 3.45Å; F638-L644 HydrophobicContact CD1-CG 4.42Å; F638-L644 HydrophobicContact CE1-CD1 4.07Å; F638-L644 HydrophobicContact CG-CB 4.05Å; F638-L644 HydrophobicContact CG-CD1 4.19Å; F638-L645 HydrophobicContact CB-CD2 3.94Å; F638-L645 HydrophobicContact CB-CG 3.95Å; F638-L645 WeakPolarHBondContact O-CD1 3.44Å; F638-L645 WeakPolarHBondContact O-CG 3.26Å; F638-I651 HydrophobicContact CD2-CD1 4.33Å; F638-I651 HydrophobicContact CD2-CG1 4.34Å; F638-I651 HydrophobicContact CE2-CD1 4.31Å; F638-Y660 AromaticContact CE1-CE2 3.72Å; F638-Y660 HydrophobicContact CE1-CE2 3.72Å; F638-Y660 AromaticContact CE1-CZ 3.94Å; F638-Y660 WeakPolarHBondContact CE1-OH 3.32Å; F638-Y660 HydrophobicContact CZ-CE2 4.19Å
639T88.3Confident86.4Confident39 Ų3945.8 Ų45.824%0.23924%0.239CC..  trans-131.5172.7-178.882.30000111.5T637 E641 N642 G643 L644 L645T637-T639 HydrophobicContact CG2-CG2 4.1Å; T637-T639 PolarHBondContact O-N 3.34Å; T639-E641 VanDerWaalsContact C-N 3.31Å; T639-E641 WeakPolarHBondContact CB-OE2 3.35Å; T639-E641 PolarHBondContact OG1-N 2.84Å; T639-E641 PolarHBondContact OG1-OE2 3.22Å; T639-N642 PolarHBondContact N-OD1 2.8Å; T639-N642 PolarHBondContact O-OD1 2.93Å; T639-N642 PolarHBondContact OG1-N 3.34Å; T639-N642 PolarHBondContact OG1-OD1 2.85Å; T639-G643 PolarHBondContact O-N 2.7Å; T639-L644 PolarHBondContact O-N 3.48Å; T639-L645 PolarHBondContact O-N 2.76Å
640I78.9Confident85.7Confident52 Ų5246.4 Ų46.427%0.26724%0.242SC..THydrogen-bonded Turntrans-71.1-36.5173.3-63.8170.3000109G643 L645 L649I640-G643 WeakPolarHBondContact O-CA 3.45Å; I640-G643 PolarHBondContact O-N 2.97Å; I640-L645 HydrophobicContact CG1-CB 4.22Å; I640-L649 HydrophobicContact CD1-CD2 3.77Å; I640-L649 HydrophobicContact CG1-CD2 4.15Å
641E81.1Confident85.1Confident163 Ų16346 Ų4676%0.76224%0.242SC*.THydrogen-bonded Turntrans-65.4-43.1-176.2-58.973-159.200112.4T639 G643T639-E641 VanDerWaalsContact C-N 3.31Å; T639-E641 WeakPolarHBondContact CB-OE2 3.35Å; T639-E641 PolarHBondContact OG1-N 2.84Å; T639-E641 PolarHBondContact OG1-OE2 3.22Å; E641-G643 PolarHBondContact O-N 3.05Å
642N89.6Confident84.3Confident57 Ų5747.1 Ų47.131%0.30525%0.25SC..THydrogen-bonded Turntrans-80.91171.469.37.2000113.1E636 T637 T639 L644E636-N642 PolarHBondContact OE1-ND2 3.25Å; T637-N642 PolarHBondContact O-ND2 2.78Å; T639-N642 PolarHBondContact N-OD1 2.8Å; T639-N642 PolarHBondContact O-OD1 2.93Å; T639-N642 PolarHBondContact OG1-N 3.34Å; T639-N642 PolarHBondContact OG1-OD1 2.85Å; N642-L644 PolarHBondContact O-N 3.14Å; N642-L644 WeakPolarHBondContact OD1-CB 3.47Å; N642-L644 WeakPolarHBondContact OD1-CG 3.35Å; N642-L644 PolarHBondContact OD1-N 2.95Å
643G80.9Confident83.7Confident8 Ų847.1 Ų47.18%0.08225%0.249CC..THydrogen-bonded Turntrans72.46.8176.500000115T639 I640 E641 L645 S652 K655T639-G643 PolarHBondContact O-N 2.7Å; I640-G643 WeakPolarHBondContact O-CA 3.45Å; I640-G643 PolarHBondContact O-N 2.97Å; E641-G643 PolarHBondContact O-N 3.05Å; G643-L645 VanDerWaalsContact C-N 3.32Å; G643-S652 WeakPolarHBondContact O-CB 3.36Å; G643-K655 WeakPolarHBondContact O-CD 3.33Å
644L88.5Confident82.8Confident1 Ų155.2 Ų55.21%0.00528%0.28CS..SBendtrans-77.9-20177.3-64.2178.6000112.1F638 T639 N642 I651 S652 A656 V659 Y660F638-L644 HydrophobicContact CB-CB 3.71Å; F638-L644 HydrophobicContact CB-CD1 4.41Å; F638-L644 HydrophobicContact CD1-CB 4.17Å; F638-L644 HydrophobicContact CD1-CD1 3.45Å; F638-L644 VanDerWaalsContact CD1-CD1 3.45Å; F638-L644 HydrophobicContact CD1-CG 4.42Å; F638-L644 HydrophobicContact CE1-CD1 4.07Å; F638-L644 HydrophobicContact CG-CB 4.05Å; F638-L644 HydrophobicContact CG-CD1 4.19Å; T639-L644 PolarHBondContact O-N 3.48Å; N642-L644 PolarHBondContact O-N 3.14Å; N642-L644 WeakPolarHBondContact OD1-CB 3.47Å; N642-L644 WeakPolarHBondContact OD1-CG 3.35Å; N642-L644 PolarHBondContact OD1-N 2.95Å; L644-I651 WeakPolarHBondContact O-CA 2.93Å; L644-S652 PolarHBondContact O-N 3.12Å; L644-A656 HydrophobicContact CD2-CB 4.12Å; L644-V659 HydrophobicContact CD2-CB 4.29Å; L644-V659 HydrophobicContact CD2-CG2 4.09Å; L644-Y660 HydrophobicContact CD1-CE2 4.21Å
645L82Confident82.1Confident23 Ų2359.6 Ų59.612%0.1230%0.298CS..BIsolated β-bridgetrans-110.1152.1167.1-59.6-176000112.1F638 T639 I640 G643 L649 K650 I651F638-L645 HydrophobicContact CB-CD2 3.94Å; F638-L645 HydrophobicContact CB-CG 3.95Å; F638-L645 WeakPolarHBondContact O-CD1 3.44Å; F638-L645 WeakPolarHBondContact O-CG 3.26Å; T639-L645 PolarHBondContact O-N 2.76Å; I640-L645 HydrophobicContact CG1-CB 4.22Å; G643-L645 VanDerWaalsContact C-N 3.32Å; L645-L649 HydrophobicContact CD1-CD2 4.31Å; L645-K650 CarbonylContact C-O 3.6Å; L645-K650 WeakPolarHBondContact CA-O 3.46Å; L645-I651 HydrophobicContact CD2-CG1 4.05Å
646T75.1Confident81.9Confident27 Ų2756.3 Ų56.317%0.16628%0.281CS..  trans-81.7164.5166.760.80000110.6T648 L649 K650T646-T648 PolarHBondContact O-N 3.45Å; T646-T648 VanDerWaalsContact O-N 3.07Å; T646-T648 PolarHBondContact OG1-OG1 3.3Å; T646-L649 WeakPolarHBondContact O-CA 3.33Å; T646-L649 PolarHBondContact O-N 2.97Å; T646-K650 WeakPolarHBondContact CG2-O 3.31Å; T646-K650 PolarHBondContact N-O 2.92Å; T646-K650 WeakPolarHBondContact OG1-CB 3.35Å; T646-K650 PolarHBondContact OG1-N 3.29Å; T646-K650 VanDerWaalsContact OG1-N 3.08Å; T646-K650 PolarHBondContact OG1-O 3.04Å
647P65.1Low81.6Confident41 Ų4156.7 Ų56.727%0.26628%0.278SS..THydrogen-bonded Turntrans-57.3-23.6172.9-27.335.9000114.5L155 L649L155-P647 HydrophobicContact CD2-CB 4.38Å; L155-P647 HydrophobicContact CD2-CG 4.27Å; P647-L649 PolarHBondContact O-N 3.43Å
648T60.3Low81.3Confident54 Ų5460.5 Ų60.533%0.33129%0.289SS..THydrogen-bonded Turntrans-83.57.4172.254.40000114.2T646 K650T646-T648 PolarHBondContact O-N 3.45Å; T646-T648 VanDerWaalsContact O-N 3.07Å; T646-T648 PolarHBondContact OG1-OG1 3.3Å; T648-K650 PolarHBondContact O-N 3.47Å
649L69.2Low81.3Confident88 Ų8864.4 Ų64.446%0.46131%0.313SS..SBendtrans6420.6-179.5-51.9173.7000114.6I640 L645 T646 P647I640-L649 HydrophobicContact CD1-CD2 3.77Å; I640-L649 HydrophobicContact CG1-CD2 4.15Å; L645-L649 HydrophobicContact CD1-CD2 4.31Å; T646-L649 WeakPolarHBondContact O-CA 3.33Å; T646-L649 PolarHBondContact O-N 2.97Å; P647-L649 PolarHBondContact O-N 3.43Å
650K76.4Confident81.6Confident100 Ų10062.9 Ų62.944%0.43530%0.303SS..  trans-86.1148.2167.8-61-175.3176.6-174.50110.5G406 L645 T646 T648 S652G406-K650 PolarHBondContact O-NZ 3.05Å; L645-K650 CarbonylContact C-O 3.6Å; L645-K650 WeakPolarHBondContact CA-O 3.46Å; T646-K650 WeakPolarHBondContact CG2-O 3.31Å; T646-K650 PolarHBondContact N-O 2.92Å; T646-K650 WeakPolarHBondContact OG1-CB 3.35Å; T646-K650 PolarHBondContact OG1-N 3.29Å; T646-K650 VanDerWaalsContact OG1-N 3.08Å; T646-K650 PolarHBondContact OG1-O 3.04Å; T648-K650 PolarHBondContact O-N 3.47Å; K650-S652 PolarHBondContact O-N 3.24Å
651I82.3Confident82.3Confident41 Ų4162.7 Ų62.721%0.2131%0.306CS..BIsolated β-bridgetrans-63.1129.8176.2-62.3172.5000110.7I558 F559 F638 L644 L645 R653 A656I558-I651 WeakPolarHBondContact O-CD1 3.38Å; F559-I651 HydrophobicContact CB-CD1 4.27Å; F559-I651 HydrophobicContact CD2-CG2 3.95Å; F559-I651 HydrophobicContact CE2-CG2 4.46Å; F638-I651 HydrophobicContact CD2-CD1 4.33Å; F638-I651 HydrophobicContact CD2-CG1 4.34Å; F638-I651 HydrophobicContact CE2-CD1 4.31Å; L644-I651 WeakPolarHBondContact O-CA 2.93Å; L645-I651 HydrophobicContact CD2-CG1 4.05Å; I651-R653 VanDerWaalsContact C-N 3.34Å; I651-R653 HydrophobicContact CG2-CG 4.47Å; I651-R653 PolarHBondContact O-N 2.98Å; I651-R653 VanDerWaalsContact O-N 3.08Å; I651-A656 HydrophobicContact CG2-CB 4.12Å
652S82Confident83Confident25 Ų2562.8 Ų62.818%0.17531%0.307CS..  trans-79.580170.3-174.30000109.7G643 L644 K650 Y654 K655 A656G643-S652 WeakPolarHBondContact O-CB 3.36Å; L644-S652 PolarHBondContact O-N 3.12Å; K650-S652 PolarHBondContact O-N 3.24Å; S652-Y654 VanDerWaalsContact C-N 3.27Å; S652-Y654 PolarHBondContact O-N 3.46Å; S652-Y654 VanDerWaalsContact O-N 3.16Å; S652-K655 PolarHBondContact O-N 2.95Å; S652-A656 PolarHBondContact O-N 3.09Å
653R85Confident83.3Confident28 Ų2862 Ų6211%0.10630%0.302CS..Hα-helixtrans-53.8-39-171.5-56.6-171.686.681.813.9113.9S530 P542 E543 E546 F559 I560 I651 A656 R657S530-R653 WeakPolarHBondContact OG-CD 3.44Å; P542-R653 VanDerWaalsContact CG-NH2 3.28Å; E543-R653 VanDerWaalsContact CG-NH1 3.35Å; E546-R653 VanDerWaalsContact CD-NH1 3.3Å; E546-R653 IonicContact OE1-CZ 3.77Å; E546-R653 VanDerWaalsContact OE1-CZ 3.29Å; E546-R653 IonicContact OE1-NH1 3.78Å; E546-R653 PolarHBondContact OE1-NH1 3.46Å; E546-R653 IonicContact OE1-NH2 3.25Å; E546-R653 PolarHBondContact OE1-NH2 3.47Å; E546-R653 IonicContact OE2-CZ 3.8Å; E546-R653 IonicContact OE2-NH1 3.81Å; E546-R653 PolarHBondContact OE2-NH1 3.1Å; E546-R653 IonicContact OE2-NH2 2.67Å; F559-R653 HydrophobicContact CE2-CB 4.17Å; F559-R653 HydrophobicContact CE2-CG 4.21Å; I560-R653 PolarHBondContact O-NH2 3.1Å; I651-R653 VanDerWaalsContact C-N 3.34Å; I651-R653 HydrophobicContact CG2-CG 4.47Å; I651-R653 PolarHBondContact O-N 2.98Å; I651-R653 VanDerWaalsContact O-N 3.08Å; R653-A656 PolarHBondContact O-N 2.91Å; R653-R657 WeakPolarHBondContact O-CB 3.47Å; R653-R657 PolarHBondContact O-N 3.33Å
654Y79.2Confident83.9Confident172 Ų17261.9 Ų61.968%0.67530%0.3SS*.Hα-helixtrans-61.7-46.2177.1174.8-101.2000111.9S652 K658S652-Y654 VanDerWaalsContact C-N 3.27Å; S652-Y654 PolarHBondContact O-N 3.46Å; S652-Y654 VanDerWaalsContact O-N 3.16Å; Y654-K658 WeakPolarHBondContact O-CB 3.38Å; Y654-K658 PolarHBondContact O-N 2.94Å; Y654-K658 VanDerWaalsContact O-N 3.14Å
655K83.5Confident84.1Confident102 Ų10265.4 Ų65.444%0.44332%0.318SS..Hα-helixtrans-68.7-44.7176.9-72.8-176172.2-174.60111G643 S652 R657 K658 V659G643-K655 WeakPolarHBondContact O-CD 3.33Å; S652-K655 PolarHBondContact O-N 2.95Å; K655-R657 PolarHBondContact O-N 3.03Å; K655-K658 WeakPolarHBondContact O-CB 3.41Å; K655-K658 PolarHBondContact O-N 3.1Å; K655-K658 VanDerWaalsContact O-N 3.13Å; K655-V659 WeakPolarHBondContact O-CG2 3.49Å; K655-V659 PolarHBondContact O-N 3.43Å
656A90.7Very high84.7Confident0 Ų070 Ų700%033%0.334CS..Hα-helixtrans-59.6-46.2177.300000112.3F559 L644 I651 S652 R653 K658 V659 Y660F559-A656 HydrophobicContact CD1-CB 3.99Å; F559-A656 HydrophobicContact CD2-CB 4.29Å; F559-A656 HydrophobicContact CE1-CB 3.8Å; F559-A656 HydrophobicContact CE2-CB 4.13Å; F559-A656 HydrophobicContact CG-CB 4.23Å; F559-A656 HydrophobicContact CZ-CB 3.88Å; L644-A656 HydrophobicContact CD2-CB 4.12Å; I651-A656 HydrophobicContact CG2-CB 4.12Å; S652-A656 PolarHBondContact O-N 3.09Å; R653-A656 PolarHBondContact O-N 2.91Å; A656-K658 VanDerWaalsContact C-N 3.28Å; A656-K658 PolarHBondContact O-N 3.13Å; A656-V659 PolarHBondContact O-N 3.37Å; A656-Y660 WeakPolarHBondContact O-CB 3.24Å; A656-Y660 WeakPolarHBondContact O-CD2 3.4Å; A656-Y660 PolarHBondContact O-N 3.44Å
657R87.8Confident85.7Confident100 Ų10068.9 Ų68.938%0.37733%0.327SS..Hα-helixtrans-59.5-38.5174.4-178.4178-71.2168.9-2.9112F559 D561 R653 K655 S661F559-R657 HydrophobicContact CZ-CB 4.35Å; D561-R657 IonicContact OD1-CZ 3.22Å; D561-R657 IonicContact OD1-NE 3.55Å; D561-R657 PolarHBondContact OD1-NE 2.91Å; D561-R657 IonicContact OD1-NH2 3.75Å; D561-R657 PolarHBondContact OD1-NH2 3.38Å; D561-R657 WeakPolarHBondContact OD2-CG 3.34Å; D561-R657 IonicContact OD2-CZ 3.55Å; D561-R657 IonicContact OD2-NE 3.73Å; D561-R657 PolarHBondContact OD2-NE 3.48Å; D561-R657 IonicContact OD2-NH2 3.02Å; D561-R657 PolarHBondContact OD2-NH2 3.43Å; R653-R657 WeakPolarHBondContact O-CB 3.47Å; R653-R657 PolarHBondContact O-N 3.33Å; K655-R657 PolarHBondContact O-N 3.03Å; R657-S661 WeakPolarHBondContact O-CA 3.43Å; R657-S661 WeakPolarHBondContact O-CB 3.49Å; R657-S661 PolarHBondContact O-N 3.49Å
658K87.9Confident86.8Confident148 Ų14866.9 Ų66.964%0.64331%0.314SS*.Hα-helixtrans-66.9-50177.3-172.3179.4178.8-176.70111.4Y654 K655 A656 S661Y654-K658 WeakPolarHBondContact O-CB 3.38Å; Y654-K658 PolarHBondContact O-N 2.94Å; Y654-K658 VanDerWaalsContact O-N 3.14Å; K655-K658 WeakPolarHBondContact O-CB 3.41Å; K655-K658 PolarHBondContact O-N 3.1Å; K655-K658 VanDerWaalsContact O-N 3.13Å; A656-K658 VanDerWaalsContact C-N 3.28Å; A656-K658 PolarHBondContact O-N 3.13Å; K658-S661 WeakPolarHBondContact O-CB 3.39Å; K658-S661 PolarHBondContact O-N 3.12Å; K658-S661 PolarHBondContact O-OG 3.31Å
659V93.4Very high88.2Confident84 Ų8468.1 Ų68.151%0.50932%0.319SS..Hα-helixtrans-61.3-47179.9170.70000111.2L644 K655 A656L644-V659 HydrophobicContact CD2-CB 4.29Å; L644-V659 HydrophobicContact CD2-CG2 4.09Å; K655-V659 WeakPolarHBondContact O-CG2 3.49Å; K655-V659 PolarHBondContact O-N 3.43Å; A656-V659 PolarHBondContact O-N 3.37Å
660Y95.5Very high89.2Confident7 Ų766.4 Ų66.43%0.02731%0.309CS..THydrogen-bonded Turntrans-93.312.9-177.2-64.6-69.3000114I572 F638 L644 A656 E662 I663 I664I572-Y660 HydrophobicContact CD1-CD1 4.26Å; I572-Y660 HydrophobicContact CD1-CG 4.28Å; I572-Y660 HydrophobicContact CG1-CD1 4.22Å; I572-Y660 HydrophobicContact CG1-CD2 4.22Å; I572-Y660 HydrophobicContact CG1-CG 3.91Å; I572-Y660 HydrophobicContact CG2-CD1 4.02Å; I572-Y660 HydrophobicContact CG2-CD2 4.3Å; I572-Y660 HydrophobicContact CG2-CE1 3.83Å; I572-Y660 HydrophobicContact CG2-CE2 4.09Å; I572-Y660 HydrophobicContact CG2-CG 4.28Å; F638-Y660 AromaticContact CE1-CE2 3.72Å; F638-Y660 HydrophobicContact CE1-CE2 3.72Å; F638-Y660 AromaticContact CE1-CZ 3.94Å; F638-Y660 WeakPolarHBondContact CE1-OH 3.32Å; F638-Y660 HydrophobicContact CZ-CE2 4.19Å; L644-Y660 HydrophobicContact CD1-CE2 4.21Å; A656-Y660 WeakPolarHBondContact O-CB 3.24Å; A656-Y660 WeakPolarHBondContact O-CD2 3.4Å; A656-Y660 PolarHBondContact O-N 3.44Å; Y660-E662 PolarHBondContact O-N 3.18Å; Y660-I663 HydrophobicContact CD1-CD1 3.8Å; Y660-I663 HydrophobicContact CE1-CD1 4.4Å; Y660-I663 PolarHBondContact O-N 2.93Å; Y660-I663 VanDerWaalsContact O-N 3.14Å; Y660-I664 WeakPolarHBondContact O-CB 3.47Å; Y660-I664 VanDerWaalsContact O-CG1 3.28Å; Y660-I664 WeakPolarHBondContact O-CG1 3.39Å; Y660-I664 PolarHBondContact O-N 3.17Å
661S92.6Very high89.6Confident48 Ų4861.8 Ų61.834%0.33629%0.289SS..Hα-helixtrans-56-47-172.253.60000113.5R657 K658 I664 N665R657-S661 WeakPolarHBondContact O-CA 3.43Å; R657-S661 WeakPolarHBondContact O-CB 3.49Å; R657-S661 PolarHBondContact O-N 3.49Å; K658-S661 WeakPolarHBondContact O-CB 3.39Å; K658-S661 PolarHBondContact O-N 3.12Å; K658-S661 PolarHBondContact O-OG 3.31Å; S661-I664 PolarHBondContact O-N 2.93Å; S661-N665 WeakPolarHBondContact O-CB 3.28Å; S661-N665 PolarHBondContact O-N 2.72Å; S661-N665 PolarHBondContact O-ND2 3.34Å; S661-N665 VanDerWaalsContact O-ND2 3.16Å
662E95.1Very high89.3Confident165 Ų16562.3 Ų62.377%0.77129%0.291SS*.Hα-helixtrans-64.2-41.8178.1-65.6-176.6175.200111.9Y660 R666Y660-E662 PolarHBondContact O-N 3.18Å; E662-R666 WeakPolarHBondContact O-CB 3.23Å; E662-R666 PolarHBondContact O-N 3.4Å
663I96.1Very high89.2Confident39 Ų3963.7 Ų63.720%0.230%0.3CS..Hα-helixtrans-65.6-48.1178.1-69.2160.3000110.3I572 H632 Y660 N665 R666 L667I572-I663 HydrophobicContact CD1-CG2 3.68Å; H632-I663 HydrophobicContact CB-CG2 3.69Å; Y660-I663 HydrophobicContact CD1-CD1 3.8Å; Y660-I663 HydrophobicContact CE1-CD1 4.4Å; Y660-I663 PolarHBondContact O-N 2.93Å; Y660-I663 VanDerWaalsContact O-N 3.14Å; I663-N665 VanDerWaalsContact C-N 3.33Å; I663-N665 PolarHBondContact O-N 3.13Å; I663-R666 PolarHBondContact O-N 2.99Å; I663-L667 HydrophobicContact CG2-CD1 4.13Å; I663-L667 HydrophobicContact CG2-CG 4.28Å; I663-L667 VanDerWaalsContact O-CG 3.3Å; I663-L667 WeakPolarHBondContact O-CG 3.44Å; I663-L667 PolarHBondContact O-N 3.49Å
664I94.5Very high88.7Confident7 Ų766 Ų664%0.03632%0.318CS..Hα-helixtrans-58.7-46.6179.1-69.4161.6000110.2F559 D561 V570 I572 Y660 S661 L667 C668F559-I664 HydrophobicContact CE1-CD1 3.95Å; D561-I664 HydrophobicContact CB-CD1 3.95Å; D561-I664 HydrophobicContact CB-CG1 4.5Å; D561-I664 HydrophobicContact CB-CG2 4.46Å; V570-I664 HydrophobicContact CG2-CB 4.46Å; V570-I664 HydrophobicContact CG2-CG1 4.4Å; V570-I664 HydrophobicContact CG2-CG2 3.99Å; I572-I664 HydrophobicContact CD1-CG1 4.42Å; Y660-I664 WeakPolarHBondContact O-CB 3.47Å; Y660-I664 VanDerWaalsContact O-CG1 3.28Å; Y660-I664 WeakPolarHBondContact O-CG1 3.39Å; Y660-I664 PolarHBondContact O-N 3.17Å; S661-I664 PolarHBondContact O-N 2.93Å; I664-L667 PolarHBondContact O-N 3.39Å; I664-C668 WeakPolarHBondContact O-CB 3.36Å; I664-C668 PolarHBondContact O-N 2.9Å; I664-C668 PolarHBondContact O-SG 3.23Å
665N92.2Very high88Confident74 Ų7460.8 Ų60.840%0.39630%0.3SS..Hα-helixtrans-61.9-46.9178.1-75.5-32.9000111.7N563 S661 I663 L667 C668 D669N563-N665 PolarHBondContact ND2-OD1 3.3Å; S661-N665 WeakPolarHBondContact O-CB 3.28Å; S661-N665 PolarHBondContact O-N 2.72Å; S661-N665 PolarHBondContact O-ND2 3.34Å; S661-N665 VanDerWaalsContact O-ND2 3.16Å; I663-N665 VanDerWaalsContact C-N 3.33Å; I663-N665 PolarHBondContact O-N 3.13Å; N665-L667 PolarHBondContact O-N 2.96Å; N665-C668 PolarHBondContact O-N 3.28Å; N665-D669 VanDerWaalsContact O-CG 3.26Å; N665-D669 PolarHBondContact O-N 2.87Å
666R95.5Very high86.7Confident119 Ų11962.5 Ų62.545%0.44931%0.313SS..Hα-helixtrans-57.3-47.9176.1179.7178.263.696.2-10.3112.1E662 I663 C668 D669 E670E662-R666 WeakPolarHBondContact O-CB 3.23Å; E662-R666 PolarHBondContact O-N 3.4Å; I663-R666 PolarHBondContact O-N 2.99Å; R666-C668 VanDerWaalsContact C-N 3.32Å; R666-C668 PolarHBondContact O-N 3.42Å; R666-D669 PolarHBondContact O-N 3.15Å; R666-E670 IonicContact CZ-OE1 2.66Å; R666-E670 IonicContact NH1-OE1 3.17Å; R666-E670 PolarHBondContact NH1-OE1 3.33Å; R666-E670 WeakPolarHBondContact O-CG 3.25Å; R666-E670 PolarHBondContact O-N 2.91Å
667L95.2Very high84.7Confident4 Ų470.5 Ų70.52%0.02135%0.35CS..Hα-helixtrans-63.6-38.4179.3-65.5-178.9000112V570 K630 H632 I663 I664 N665 E670 I671V570-L667 HydrophobicContact CB-CB 4.1Å; V570-L667 HydrophobicContact CB-CD1 4Å; V570-L667 HydrophobicContact CG1-CB 3.7Å; V570-L667 HydrophobicContact CG1-CD1 4.46Å; V570-L667 HydrophobicContact CG2-CB 4.41Å; V570-L667 HydrophobicContact CG2-CD1 4.36Å; K630-L667 HydrophobicContact CB-CB 4.11Å; K630-L667 HydrophobicContact CB-CD2 4.21Å; H632-L667 HydrophobicContact CB-CD1 3.99Å; I663-L667 HydrophobicContact CG2-CD1 4.13Å; I663-L667 HydrophobicContact CG2-CG 4.28Å; I663-L667 VanDerWaalsContact O-CG 3.3Å; I663-L667 WeakPolarHBondContact O-CG 3.44Å; I663-L667 PolarHBondContact O-N 3.49Å; I664-L667 PolarHBondContact O-N 3.39Å; N665-L667 PolarHBondContact O-N 2.96Å; L667-E670 PolarHBondContact O-N 3.49Å; L667-I671 WeakPolarHBondContact O-CG1 3.49Å; L667-I671 PolarHBondContact O-N 2.96Å; L667-I671 VanDerWaalsContact O-N 3.15Å
668C88.8Confident82.6Confident0 Ų077.1 Ų77.10%038%0.382CS..Hα-helixtrans-65.6-42.4175-66.90000111.4N563 I664 N665 R666 E670 I671 M672N563-C668 PolarHBondContact N-SG 2.96Å; N563-C668 VanDerWaalsContact ND2-CB 3.29Å; N563-C668 WeakPolarHBondContact ND2-CB 3.3Å; I664-C668 WeakPolarHBondContact O-CB 3.36Å; I664-C668 PolarHBondContact O-N 2.9Å; I664-C668 PolarHBondContact O-SG 3.23Å; N665-C668 PolarHBondContact O-N 3.28Å; R666-C668 VanDerWaalsContact C-N 3.32Å; R666-C668 PolarHBondContact O-N 3.42Å; C668-E670 VanDerWaalsContact C-N 3.33Å; C668-E670 PolarHBondContact O-N 2.93Å; C668-I671 WeakPolarHBondContact O-CB 3.31Å; C668-I671 PolarHBondContact O-N 3.34Å; C668-I671 VanDerWaalsContact O-N 3.13Å; C668-M672 WeakPolarHBondContact O-CG 3.31Å; C668-M672 PolarHBondContact O-N 3.41Å; C668-M672 VanDerWaalsContact O-N 3.08Å
669D88.4Confident82.3Confident80 Ų8073.6 Ų73.643%0.42837%0.369SS..Hα-helixtrans-65.3-36.8177.4-67.6-21.8000112.1N665 R666 I671 M672 S673N665-D669 VanDerWaalsContact O-CG 3.26Å; N665-D669 PolarHBondContact O-N 2.87Å; R666-D669 PolarHBondContact O-N 3.15Å; D669-I671 VanDerWaalsContact C-N 3.31Å; D669-I671 PolarHBondContact O-N 2.92Å; D669-M672 PolarHBondContact O-N 3.08Å; D669-M672 WeakPolarHBondContact OD1-CE 3.23Å; D669-S673 PolarHBondContact O-N 3.13Å; D669-S673 PolarHBondContact O-OG 3.27Å
670E90.6Very high81.7Confident52 Ų5273.1 Ų73.124%0.24336%0.362CS..Hα-helixtrans-63-34.5171.8-73.3176.5-153.400112.8K630 R666 L667 C668 S673 T674K630-E670 WeakPolarHBondContact CE-OE2 3.39Å; K630-E670 IonicContact NZ-OE2 3.15Å; K630-E670 PolarHBondContact NZ-OE2 2.87Å; R666-E670 IonicContact CZ-OE1 2.66Å; R666-E670 IonicContact NH1-OE1 3.17Å; R666-E670 PolarHBondContact NH1-OE1 3.33Å; R666-E670 WeakPolarHBondContact O-CG 3.25Å; R666-E670 PolarHBondContact O-N 2.91Å; L667-E670 PolarHBondContact O-N 3.49Å; C668-E670 VanDerWaalsContact C-N 3.33Å; C668-E670 PolarHBondContact O-N 2.93Å; E670-S673 PolarHBondContact O-OG 3.39Å; E670-S673 VanDerWaalsContact O-OG 3.04Å; E670-T674 WeakPolarHBondContact O-CG2 3.43Å; E670-T674 PolarHBondContact O-N 3.1Å; E670-T674 PolarHBondContact O-OG1 3.42Å
671I85.3Confident81Confident3 Ų376.7 Ų76.72%0.01538%0.38CS..Hα-helixtrans-65.5-50.9173.9-71.3164000109.5Y568 V570 K629 K630 L667 C668 D669 S673 T674 E675Y568-I671 HydrophobicContact CD2-CG2 3.7Å; V570-I671 HydrophobicContact CG1-CD1 3.51Å; K629-I671 HydrophobicContact CB-CD1 4.31Å; K629-I671 HydrophobicContact CB-CG1 4.26Å; K630-I671 HydrophobicContact CB-CD1 4.05Å; K630-I671 HydrophobicContact CB-CG1 4.1Å; K630-I671 HydrophobicContact CG-CD1 4.03Å; K630-I671 HydrophobicContact CG-CG1 3.51Å; L667-I671 WeakPolarHBondContact O-CG1 3.49Å; L667-I671 PolarHBondContact O-N 2.96Å; L667-I671 VanDerWaalsContact O-N 3.15Å; C668-I671 WeakPolarHBondContact O-CB 3.31Å; C668-I671 PolarHBondContact O-N 3.34Å; C668-I671 VanDerWaalsContact O-N 3.13Å; D669-I671 VanDerWaalsContact C-N 3.31Å; D669-I671 PolarHBondContact O-N 2.92Å; I671-S673 VanDerWaalsContact C-N 3.32Å; I671-S673 PolarHBondContact O-N 3.48Å; I671-T674 PolarHBondContact O-N 2.85Å; I671-T674 PolarHBondContact O-OG1 3.2Å; I671-E675 PolarHBondContact O-N 2.97Å
672M76.1Confident80.3Confident52 Ų5278.4 Ų78.426%0.25638%0.383SS..Hα-helixtrans-61-39.1-178.4-62.4-169.2-40.500112.5K565 C668 D669 T674 E675 N676K565-M672 HydrophobicContact CB-SD 3.88Å; C668-M672 WeakPolarHBondContact O-CG 3.31Å; C668-M672 PolarHBondContact O-N 3.41Å; C668-M672 VanDerWaalsContact O-N 3.08Å; D669-M672 PolarHBondContact O-N 3.08Å; D669-M672 WeakPolarHBondContact OD1-CE 3.23Å; M672-T674 PolarHBondContact O-N 2.8Å; M672-E675 PolarHBondContact O-N 2.93Å; M672-N676 PolarHBondContact O-N 3.34Å
673S79.6Confident79.3Confident54 Ų5473 Ų7338%0.37836%0.359SS..Hα-helixtrans-65.7-38.317866.50000112D669 E670 I671 E675 N676 H677D669-S673 PolarHBondContact O-N 3.13Å; D669-S673 PolarHBondContact O-OG 3.27Å; E670-S673 PolarHBondContact O-OG 3.39Å; E670-S673 VanDerWaalsContact O-OG 3.04Å; I671-S673 VanDerWaalsContact C-N 3.32Å; I671-S673 PolarHBondContact O-N 3.48Å; S673-E675 VanDerWaalsContact C-N 3.27Å; S673-E675 PolarHBondContact O-N 2.99Å; S673-N676 PolarHBondContact O-N 3.06Å; S673-H677 PolarHBondContact O-CD2 2.93Å; S673-H677 PolarHBondContact O-N 3.27Å
674T75.6Confident78.2Confident76 Ų7675.3 Ų75.347%0.46637%0.369SS..Hα-helixtrans-68.7-22.4174.953.10000114.2E670 I671 M672E670-T674 WeakPolarHBondContact O-CG2 3.43Å; E670-T674 PolarHBondContact O-N 3.1Å; E670-T674 PolarHBondContact O-OG1 3.42Å; I671-T674 PolarHBondContact O-N 2.85Å; I671-T674 PolarHBondContact O-OG1 3.2Å; M672-T674 PolarHBondContact O-N 2.8Å
675E63.4Low77.1Confident63 Ų6380.1 Ų80.129%0.29439%0.393SS..Hα-helixtrans-82.3-39.9174.5-71.2-170.8141.500112.6T567 Y568 I671 M672 S673 H677 K678T567-E675 WeakPolarHBondContact CB-OE2 3.21Å; T567-E675 VanDerWaalsContact CG2-OE2 3.22Å; T567-E675 WeakPolarHBondContact CG2-OE2 3.43Å; T567-E675 PolarHBondContact OG1-OE1 2.88Å; T567-E675 VanDerWaalsContact OG1-OE1 3.13Å; T567-E675 PolarHBondContact OG1-OE2 3.24Å; Y568-E675 VanDerWaalsContact CE2-OE1 3.22Å; Y568-E675 WeakPolarHBondContact CE2-OE1 3.4Å; I671-E675 PolarHBondContact O-N 2.97Å; M672-E675 PolarHBondContact O-N 2.93Å; S673-E675 VanDerWaalsContact C-N 3.27Å; S673-E675 PolarHBondContact O-N 2.99Å; E675-H677 PolarHBondContact O-N 3.22Å; E675-K678 PolarHBondContact O-N 3.14Å; E675-K678 VanDerWaalsContact O-N 3.13Å
676N55.5Low75.9Confident137 Ų13780.6 Ų80.673%0.73339%0.393SS*.Hα-helixtrans-67.4-15177.9-72.6-25.1000114M672 S673M672-N676 PolarHBondContact O-N 3.34Å; S673-N676 PolarHBondContact O-N 3.06Å
677H49Very low74.3Confident168 Ų16877.4 Ų77.478%0.77839%0.388SS*.THydrogen-bonded Turntrans-94.1-0.9175.6-72.4-54.1000114.1S673 E675S673-H677 PolarHBondContact O-CD2 2.93Å; S673-H677 PolarHBondContact O-N 3.27Å; E675-H677 PolarHBondContact O-N 3.22Å
678K44Very low72.4Confident240 Ų24084.1 Ų84.1100%1.04342%0.421SS*.  trans-100.20170-74.1-178.1178.3175.90110.3E675E675-K678 PolarHBondContact O-N 3.14Å; E675-K678 VanDerWaalsContact O-N 3.13Å

Retrieved 678 of 678 residues in 685.2 ms (Link to these results)

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