A0A087XEB4_POEFO Loading...

Unconventional myosin-Ib

Motor protein that may participate in process critical to neuronal development and function such as cell migration, neurite outgrowth and vesicular transport.

AlphaFold DB , UniProt , Accession A0A087XEB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,079 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
1M32.3Very low72.3Confident229 Ų22991 Ų91100%1.12846%0.461SS*.  0112.40-83.7-179.7-17400106.8V3M1-V3 PolarHBondContact O-N 3.3Å
2E54Low73.8Confident192 Ų19288 Ų8890%0.89745%0.446SS*.  trans-66.5128.2170.3-70.9174.117400108.7
3V56.7Low75.2Confident55 Ų5582.5 Ų82.533%0.33343%0.426SS..  trans-87.1131.6179.3179.10000108M1 T5 R72M1-V3 PolarHBondContact O-N 3.3Å; V3-T5 HydrophobicContact CG1-CG2 4Å; V3-T5 WeakPolarHBondContact CG1-OG1 3.42Å; V3-R72 VanDerWaalsContact CG2-CZ 3.47Å
4K71.2Confident76.4Confident153 Ų15378.1 Ų78.167%0.66540%0.404SS*.  trans-9815.5-171.7-59.8-172.3177.3-168.90114E640K4-E640 IonicContact NZ-OE1 3.77Å; K4-E640 PolarHBondContact NZ-OE1 3.46Å
5T75.2Confident77.4Confident64 Ų6472.9 Ų72.939%0.39338%0.377SS..  trans-78.9151.3-178.852.70000110.5V3 E76V3-T5 HydrophobicContact CG1-CG2 4Å; V3-T5 WeakPolarHBondContact CG1-OG1 3.42Å; T5-E76 CarbonylContact C-O 3.53Å; T5-E76 VanDerWaalsContact CB-O 3.32Å; T5-E76 WeakPolarHBondContact CB-O 3.47Å; T5-E76 CarbonylContact O-C 3.6Å; T5-E76 WeakPolarHBondContact O-CA 2.99Å; T5-E76 PolarHBondContact OG1-O 2.96Å
6S83.8Confident78.4Confident20 Ų2068.5 Ų68.514%0.1435%0.354CS..  trans-131.9149.5172.6-179.60000110.8L8 D9 Y75 E76S6-L8 PolarHBondContact O-N 3.31Å; S6-L8 PolarHBondContact OG-N 3.11Å; S6-D9 PolarHBondContact N-OD2 3.4Å; S6-D9 WeakPolarHBondContact O-CB 3.36Å; S6-D9 PolarHBondContact O-N 3.34Å; S6-Y75 WeakPolarHBondContact CA-O 3.07Å; S6-E76 CarbonylContact C-O 3.6Å; S6-E76 WeakPolarHBondContact CA-O 3.09Å; S6-E76 PolarHBondContact N-O 3.29Å
7L85.3Confident79.3Confident7 Ų764.5 Ų64.54%0.03733%0.333CS..THydrogen-bonded Turntrans-40.7-36.1161.916069.9000113.3D9 M11 D16 Y75 P79L7-D9 VanDerWaalsContact C-N 3.26Å; L7-D9 PolarHBondContact O-N 3.47Å; L7-M11 HydrophobicContact CD1-SD 4.46Å; L7-M11 HydrophobicContact CG-SD 4.47Å; L7-D16 HydrophobicContact CD2-CB 4.23Å; L7-Y75 WeakPolarHBondContact CB-O 3.49Å; L7-Y75 HydrophobicContact CD2-CD1 3.72Å; L7-Y75 HydrophobicContact CD2-CE1 4.32Å; L7-Y75 PolarHBondContact N-O 3.15Å; L7-P79 HydrophobicContact CD1-CG 3.71Å
8L85Confident80Confident18 Ų1861.2 Ų61.29%0.09432%0.317CS..THydrogen-bonded Turntrans-73.4-18.5-175.4-57.5176.2000112.7S6 M11 L19 L690 E694S6-L8 PolarHBondContact O-N 3.31Å; S6-L8 PolarHBondContact OG-N 3.11Å; L8-M11 HydrophobicContact CD2-CE 4.39Å; L8-M11 HydrophobicContact CD2-SD 4.29Å; L8-L19 HydrophobicContact CD2-CD1 4.02Å; L8-L690 HydrophobicContact CD1-CD1 4.14Å; L8-L690 HydrophobicContact CD1-CD2 4.19Å; L8-L690 HydrophobicContact CD1-CG 4.38Å; L8-L690 HydrophobicContact CD2-CD2 4.4Å; L8-E694 HydrophobicContact CD1-CG 4.14Å; L8-E694 WeakPolarHBondContact CD1-OE1 3.46Å
9D83.3Confident80.5Confident55 Ų5558.1 Ų58.129%0.29430%0.301SS..THydrogen-bonded Turntrans-76.5125.2-180-61-44.1000110.6S6 L7 M11 R641 R697S6-D9 PolarHBondContact N-OD2 3.4Å; S6-D9 WeakPolarHBondContact O-CB 3.36Å; S6-D9 PolarHBondContact O-N 3.34Å; L7-D9 VanDerWaalsContact C-N 3.26Å; L7-D9 PolarHBondContact O-N 3.47Å; D9-M11 PolarHBondContact O-N 3.08Å; D9-R641 IonicContact OD1-CZ 3.8Å; D9-R641 IonicContact OD1-NH1 3.1Å; D9-R641 PolarHBondContact OD1-NH1 2.94Å; D9-R641 IonicContact OD1-NH2 2.64Å; D9-R641 PolarHBondContact OD1-NH2 3.44Å; D9-R641 IonicContact OD2-NH1 2.98Å; D9-R641 PolarHBondContact OD2-NH1 3.48Å; D9-R641 VanDerWaalsContact OD2-NH1 3.16Å; D9-R697 IonicContact OD1-NH1 3.45Å; D9-R697 PolarHBondContact OD1-NH1 3.36Å
10N82.2Confident81Confident163 Ų16355.8 Ų55.887%0.87229%0.289SS*.THydrogen-bonded Turntrans55.928.2-177.6-57.3-40.1000114.9I12N10-I12 PolarHBondContact O-N 2.6Å
11M86Confident81.2Confident45 Ų4556 Ų5622%0.22229%0.289CS..  trans-62.1118.5-176.9-166.4172.463.600112L7 L8 D9 G13 V14 G15 F691L7-M11 HydrophobicContact CD1-SD 4.46Å; L7-M11 HydrophobicContact CG-SD 4.47Å; L8-M11 HydrophobicContact CD2-CE 4.39Å; L8-M11 HydrophobicContact CD2-SD 4.29Å; D9-M11 PolarHBondContact O-N 3.08Å; M11-G13 WeakPolarHBondContact CE-O 3.25Å; M11-G13 WeakPolarHBondContact CG-O 3.49Å; M11-V14 HydrophobicContact CE-CG1 4.44Å; M11-G15 PolarHBondContact SD-N 2.9Å; M11-F691 HydrophobicContact CE-CE1 3.77Å; M11-F691 HydrophobicContact CE-CZ 4.07Å
12I90.4Very high83.9Confident55 Ų5549 Ų4928%0.28226%0.26SS..SBendtrans-83.5116.8172.2-57.5179.9000108.5N10 R35 H38 E40N10-I12 PolarHBondContact O-N 2.6Å; I12-R35 VanDerWaalsContact O-CG 3.31Å; I12-R35 WeakPolarHBondContact O-CG 3.16Å; I12-R35 PolarHBondContact O-NH1 2.74Å; I12-H38 HydrophobicContact CD1-CB 3.74Å; I12-H38 HydrophobicContact CG2-CB 3.8Å; I12-E40 HydrophobicContact CB-CG 4.47Å; I12-E40 HydrophobicContact CD1-CG 4.2Å
13G91.7Very high85.6Confident17 Ų1741.6 Ų41.618%0.17523%0.227CC..SBendtrans63.5-141.5-170.600000110.5M11 N31M11-G13 WeakPolarHBondContact CE-O 3.25Å; M11-G13 WeakPolarHBondContact CG-O 3.49Å; G13-N31 WeakPolarHBondContact CA-OD1 3.26Å
14V92.6Very high87.3Confident20 Ų2041.9 Ų41.912%0.12123%0.228CC..  trans-113.7118.8174.2-1720000108.8M11 D16 L19 L20 N31 R35 F691M11-V14 HydrophobicContact CE-CG1 4.44Å; V14-D16 WeakPolarHBondContact CG1-O 3.48Å; V14-L19 HydrophobicContact CG1-CB 3.8Å; V14-L20 HydrophobicContact CB-CD1 4.34Å; V14-L20 HydrophobicContact CG2-CD1 3.93Å; V14-N31 PolarHBondContact N-OD1 3.22Å; V14-N31 PolarHBondContact O-ND2 3.46Å; V14-R35 WeakPolarHBondContact O-CD 3.41Å; V14-F691 HydrophobicContact CG2-CZ 4.48Å
15G91.7Very high88.2Confident0 Ų038 Ų380%021%0.213CC..SBendtrans-80.2-22.5-175.700000114.7M11 T43 Y44 P79M11-G15 PolarHBondContact SD-N 2.9Å; G15-T43 WeakPolarHBondContact O-CG2 3.44Å; G15-Y44 PolarHBondContact O-N 3.29Å; G15-P79 VanDerWaalsContact O-CG 3.32Å; G15-P79 WeakPolarHBondContact O-CG 3.2Å
16D93.5Very high89Confident3 Ų340.6 Ų40.62%0.01622%0.224CC..BIsolated β-bridgetrans-123.1117.5168.2-177.5-1.2000109.9L7 V14 V18 L19 Y44 I45 G46L7-D16 HydrophobicContact CD2-CB 4.23Å; V14-D16 WeakPolarHBondContact CG1-O 3.48Å; D16-V18 PolarHBondContact O-N 3.38Å; D16-V18 VanDerWaalsContact O-N 3.13Å; D16-V18 WeakPolarHBondContact OD1-CG2 2.95Å; D16-V18 PolarHBondContact OD1-N 3.11Å; D16-V18 VanDerWaalsContact OD1-N 3.1Å; D16-L19 HydrophobicContact CB-CD1 4.47Å; D16-L19 HydrophobicContact CB-CG 4.47Å; D16-L19 WeakPolarHBondContact O-CB 3.5Å; D16-L19 PolarHBondContact O-N 3.27Å; D16-Y44 WeakPolarHBondContact CA-O 3.38Å; D16-I45 WeakPolarHBondContact OD1-CA 3.31Å; D16-G46 PolarHBondContact OD1-N 3.19Å
17M93.6Very high89.5Confident0 Ų040.5 Ų40.50%022%0.224CC..G310 helixtrans-63.7-17.3-176-66.7-64.5-162.200113.7L19 L20 F28 N31 L32 T43 Y44 I45 I50 V622M17-L19 PolarHBondContact O-N 3.14Å; M17-L20 VanDerWaalsContact O-CB 3.23Å; M17-L20 WeakPolarHBondContact O-CB 3.36Å; M17-L20 PolarHBondContact O-N 2.88Å; M17-L20 HydrophobicContact SD-CD2 4.12Å; M17-F28 HydrophobicContact CB-CE2 3.97Å; M17-F28 HydrophobicContact CE-CD1 4.37Å; M17-F28 HydrophobicContact CE-CD2 4.06Å; M17-F28 HydrophobicContact CE-CE1 4.21Å; M17-F28 HydrophobicContact CE-CE2 3.89Å; M17-F28 HydrophobicContact CE-CG 4.29Å; M17-F28 HydrophobicContact CE-CZ 3.96Å; M17-F28 HydrophobicContact CG-CD2 4.22Å; M17-F28 HydrophobicContact CG-CE2 3.61Å; M17-F28 HydrophobicContact CG-CZ 4.2Å; M17-F28 HydrophobicContact SD-CD2 3.89Å; M17-F28 HydrophobicContact SD-CE2 3.85Å; M17-F28 HydrophobicContact SD-CZ 4.5Å; M17-N31 HydrophobicContact CE-CB 4.24Å; M17-N31 VanDerWaalsContact CE-ND2 3.34Å; M17-N31 WeakPolarHBondContact CE-ND2 3.31Å; M17-N31 HydrophobicContact SD-CB 4.43Å; M17-N31 PolarHBondContact SD-ND2 3.13Å; M17-L32 HydrophobicContact CE-CD1 4.45Å; M17-L32 HydrophobicContact CE-CD2 3.34Å; M17-L32 HydrophobicContact CE-CG 3.5Å; M17-T43 HydrophobicContact CE-CG2 3.95Å; M17-T43 HydrophobicContact CG-CG2 3.96Å; M17-T43 HydrophobicContact SD-CG2 4.27Å; M17-Y44 WeakPolarHBondContact CG-O 3.49Å; M17-Y44 PolarHBondContact N-O 3.18Å; M17-I45 HydrophobicContact CB-CG1 3.93Å; M17-I45 HydrophobicContact CG-CG1 4.24Å; M17-I50 HydrophobicContact CG-CD1 4.27Å; M17-V622 HydrophobicContact CB-CG2 3.8Å; M17-V622 WeakPolarHBondContact O-CG1 3.15Å
18V91Very high89.9Confident6 Ų640.3 Ų40.34%0.03622%0.222CC..G310 helixtrans-60.4-28170.6-179.10000111.2D16 L20 I45 R625 R626 A630D16-V18 PolarHBondContact O-N 3.38Å; D16-V18 VanDerWaalsContact O-N 3.13Å; D16-V18 WeakPolarHBondContact OD1-CG2 2.95Å; D16-V18 PolarHBondContact OD1-N 3.11Å; D16-V18 VanDerWaalsContact OD1-N 3.1Å; V18-L20 VanDerWaalsContact C-N 3.35Å; V18-I45 HydrophobicContact CG2-CG2 4.13Å; V18-R625 HydrophobicContact CG2-CB 3.92Å; V18-R626 HydrophobicContact CG1-CB 4.23Å; V18-A630 HydrophobicContact CG1-CB 3.94Å; V18-A630 VanDerWaalsContact CG1-O 3.3Å; V18-A630 WeakPolarHBondContact CG1-O 3.14Å
19L90.5Very high90.4Very high2 Ų240.6 Ų40.61%0.0122%0.224CC..G310 helixtrans-85.7-2.2177.7-53.6178.8000113.6L8 V14 D16 M17 F631 P687 L690 F691L8-L19 HydrophobicContact CD2-CD1 4.02Å; V14-L19 HydrophobicContact CG1-CB 3.8Å; D16-L19 HydrophobicContact CB-CD1 4.47Å; D16-L19 HydrophobicContact CB-CG 4.47Å; D16-L19 WeakPolarHBondContact O-CB 3.5Å; D16-L19 PolarHBondContact O-N 3.27Å; M17-L19 PolarHBondContact O-N 3.14Å; L19-F631 HydrophobicContact CD2-CB 4.13Å; L19-F631 HydrophobicContact CD2-CD2 4.42Å; L19-P687 HydrophobicContact CB-CB 4.24Å; L19-P687 HydrophobicContact CD2-CB 4.31Å; L19-P687 HydrophobicContact CD2-CG 4.39Å; L19-P687 VanDerWaalsContact O-CB 3.28Å; L19-P687 WeakPolarHBondContact O-CB 3.38Å; L19-L690 HydrophobicContact CD1-CD2 3.93Å; L19-L690 HydrophobicContact CD2-CD2 3.84Å; L19-F691 HydrophobicContact CB-CE2 4.28Å; L19-F691 HydrophobicContact CB-CZ 4.3Å; L19-F691 WeakPolarHBondContact O-CE2 3.39Å
20L90.7Very high91Very high12 Ų1244.6 Ų44.66%0.06324%0.241CC..  trans-73130.6-176.3-17270.9000111.6V14 M17 V18 L23 F28 N31 R626V14-L20 HydrophobicContact CB-CD1 4.34Å; V14-L20 HydrophobicContact CG2-CD1 3.93Å; M17-L20 VanDerWaalsContact O-CB 3.23Å; M17-L20 WeakPolarHBondContact O-CB 3.36Å; M17-L20 PolarHBondContact O-N 2.88Å; M17-L20 HydrophobicContact SD-CD2 4.12Å; V18-L20 VanDerWaalsContact C-N 3.35Å; L20-L23 HydrophobicContact CD2-CD1 4.4Å; L20-F28 HydrophobicContact CD2-CB 4.12Å; L20-F28 HydrophobicContact CD2-CD2 4.25Å; L20-N31 HydrophobicContact CD1-CB 4.11Å; L20-R626 PolarHBondContact O-NH1 3.05Å
21E85.6Confident91.7Very high61 Ų6137.3 Ų37.329%0.28520%0.202SC..SBendtrans-144.1127.3-179.8-17667.3176.500111.9R626 R688E21-R626 IonicContact OE1-NH2 2.62Å; E21-R626 IonicContact OE2-CZ 3.3Å; E21-R626 IonicContact OE2-NH1 2.77Å; E21-R626 PolarHBondContact OE2-NH1 3.23Å; E21-R626 IonicContact OE2-NH2 3.35Å; E21-R626 PolarHBondContact OE2-NH2 3.24Å; E21-R688 HydrophobicContact CG-CG 4.15Å; E21-R688 IonicContact OE1-CZ 2.84Å; E21-R688 IonicContact OE1-NE 3.42Å; E21-R688 PolarHBondContact OE1-NE 3.31Å; E21-R688 IonicContact OE1-NH2 2.86Å; E21-R688 PolarHBondContact OE1-NH2 3.37Å
22P89Confident92.2Very high81 Ų8135.2 Ų35.253%0.52619%0.192SC..SBendcis-70150.9-5.431.5-35.5000112T24 S27P22-T24 HydrophobicContact CB-CG2 4.34Å; P22-T24 HydrophobicContact CG-CG2 4.48Å; P22-T24 PolarHBondContact O-N 3.14Å; P22-S27 WeakPolarHBondContact O-CB 3.03Å; P22-S27 PolarHBondContact O-OG 3.24Å
23L88.4Confident92.5Very high37 Ų3737.4 Ų37.419%0.19420%0.199CC..  trans-83.791.2174.9-178.363.3000110.4L20 M619 V622 R623L20-L23 HydrophobicContact CD2-CD1 4.4Å; L23-M619 HydrophobicContact CD1-CE 3.77Å; L23-M619 HydrophobicContact CD1-SD 4.14Å; L23-M619 HydrophobicContact CG-CE 3.83Å; L23-V622 HydrophobicContact CD1-CB 4.24Å; L23-V622 HydrophobicContact CD1-CG1 3.68Å; L23-V622 HydrophobicContact CD2-CB 4.22Å; L23-V622 HydrophobicContact CD2-CG1 3.65Å; L23-V622 HydrophobicContact CG-CG1 4.33Å; L23-R623 HydrophobicContact CD2-CG 3.89Å
24T91.6Very high92.7Very high60 Ų6042 Ų4237%0.36821%0.214SC..  trans-127.7160.3175.9630000109.5P22 D26 S27 F28P22-T24 HydrophobicContact CB-CG2 4.34Å; P22-T24 HydrophobicContact CG-CG2 4.48Å; P22-T24 PolarHBondContact O-N 3.14Å; T24-D26 VanDerWaalsContact C-N 3.26Å; T24-D26 PolarHBondContact O-N 3.42Å; T24-S27 PolarHBondContact N-OG 3.48Å; T24-S27 VanDerWaalsContact N-OG 3.08Å; T24-S27 PolarHBondContact O-OG 2.71Å; T24-S27 VanDerWaalsContact O-OG 3.06Å; T24-S27 WeakPolarHBondContact OG1-CB 3.12Å; T24-S27 PolarHBondContact OG1-N 2.71Å; T24-S27 VanDerWaalsContact OG1-N 3.17Å; T24-S27 PolarHBondContact OG1-OG 3.05Å; T24-F28 WeakPolarHBondContact O-CB 3.07Å; T24-F28 PolarHBondContact O-N 3.15Å
25E90.2Very high92.9Very high72 Ų7241.2 Ų41.234%0.33621%0.209SC..Hα-helixtrans-60.8-38.3175.8-70.3-170.1157.200111.6F28 L29 R614 M619E25-F28 WeakPolarHBondContact O-CB 3.4Å; E25-F28 PolarHBondContact O-N 2.81Å; E25-L29 VanDerWaalsContact O-CG 3.25Å; E25-L29 WeakPolarHBondContact O-CG 3.45Å; E25-L29 PolarHBondContact O-N 2.89Å; E25-R614 IonicContact OE1-CZ 2.88Å; E25-R614 IonicContact OE1-NE 3.01Å; E25-R614 PolarHBondContact OE1-NE 3.44Å; E25-R614 IonicContact OE1-NH2 3.16Å; E25-R614 IonicContact OE2-CZ 3.84Å; E25-R614 IonicContact OE2-NE 3.35Å; E25-R614 PolarHBondContact OE2-NE 3.36Å; E25-R614 IonicContact OE2-NH2 3.9Å; E25-R614 PolarHBondContact OE2-NH2 3.13Å; E25-M619 HydrophobicContact CG-CE 4.44Å; E25-M619 HydrophobicContact CG-CG 4.33Å
26D92.8Very high93.1Very high118 Ų11841.5 Ų41.563%0.63121%0.21SC*.Hα-helixtrans-64.2-50.8179.4-65.4-31.3000111.8T24 F28 L29 E30T24-D26 VanDerWaalsContact C-N 3.26Å; T24-D26 PolarHBondContact O-N 3.42Å; D26-F28 VanDerWaalsContact C-N 3.26Å; D26-F28 PolarHBondContact O-N 3.27Å; D26-L29 PolarHBondContact O-N 2.62Å; D26-E30 WeakPolarHBondContact O-CB 3.45Å; D26-E30 WeakPolarHBondContact O-CG 3.31Å; D26-E30 PolarHBondContact O-N 3.49Å
27S94.1Very high93.2Very high19 Ų1945.3 Ų45.313%0.13323%0.231CC..Hα-helixtrans-62.4-34177.560.70000112.5P22 T24 N31P22-S27 WeakPolarHBondContact O-CB 3.03Å; P22-S27 PolarHBondContact O-OG 3.24Å; T24-S27 PolarHBondContact N-OG 3.48Å; T24-S27 VanDerWaalsContact N-OG 3.08Å; T24-S27 PolarHBondContact O-OG 2.71Å; T24-S27 VanDerWaalsContact O-OG 3.06Å; T24-S27 WeakPolarHBondContact OG1-CB 3.12Å; T24-S27 PolarHBondContact OG1-N 2.71Å; T24-S27 VanDerWaalsContact OG1-N 3.17Å; T24-S27 PolarHBondContact OG1-OG 3.05Å; S27-N31 WeakPolarHBondContact O-CB 3.4Å; S27-N31 PolarHBondContact O-N 3.49Å
28F94.3Very high93.3Very high2 Ų250.1 Ų50.11%0.00925%0.253CS..Hα-helixtrans-64.5-45.9175.5-169.9-85.2000111.4M17 L20 T24 E25 D26 N31 L32 I50 A613 L618 M619 V622M17-F28 HydrophobicContact CB-CE2 3.97Å; M17-F28 HydrophobicContact CE-CD1 4.37Å; M17-F28 HydrophobicContact CE-CD2 4.06Å; M17-F28 HydrophobicContact CE-CE1 4.21Å; M17-F28 HydrophobicContact CE-CE2 3.89Å; M17-F28 HydrophobicContact CE-CG 4.29Å; M17-F28 HydrophobicContact CE-CZ 3.96Å; M17-F28 HydrophobicContact CG-CD2 4.22Å; M17-F28 HydrophobicContact CG-CE2 3.61Å; M17-F28 HydrophobicContact CG-CZ 4.2Å; M17-F28 HydrophobicContact SD-CD2 3.89Å; M17-F28 HydrophobicContact SD-CE2 3.85Å; M17-F28 HydrophobicContact SD-CZ 4.5Å; L20-F28 HydrophobicContact CD2-CB 4.12Å; L20-F28 HydrophobicContact CD2-CD2 4.25Å; T24-F28 WeakPolarHBondContact O-CB 3.07Å; T24-F28 PolarHBondContact O-N 3.15Å; E25-F28 WeakPolarHBondContact O-CB 3.4Å; E25-F28 PolarHBondContact O-N 2.81Å; D26-F28 VanDerWaalsContact C-N 3.26Å; D26-F28 PolarHBondContact O-N 3.27Å; F28-N31 PolarHBondContact O-N 2.7Å; F28-L32 HydrophobicContact CD1-CD1 4Å; F28-L32 HydrophobicContact CD1-CG 4.41Å; F28-L32 HydrophobicContact CE1-CD1 3.59Å; F28-L32 HydrophobicContact CE1-CG 4.2Å; F28-L32 PolarHBondContact O-N 3.22Å; F28-L32 VanDerWaalsContact O-N 3.1Å; F28-I50 HydrophobicContact CZ-CD1 3.88Å; F28-A613 HydrophobicContact CE1-CB 4.26Å; F28-L618 HydrophobicContact CE1-CB 4.35Å; F28-L618 HydrophobicContact CE1-CD1 4.05Å; F28-L618 HydrophobicContact CE2-CB 4.48Å; F28-L618 HydrophobicContact CZ-CB 3.79Å; F28-L618 HydrophobicContact CZ-CD1 3.93Å; F28-M619 HydrophobicContact CB-SD 3.87Å; F28-M619 HydrophobicContact CD2-SD 3.68Å; F28-M619 HydrophobicContact CE2-SD 4.36Å; F28-M619 HydrophobicContact CG-SD 3.8Å; F28-V622 HydrophobicContact CE2-CG2 4.09Å
29L95.3Very high93.5Very high24 Ų2453 Ų5313%0.12627%0.268CS..Hα-helixtrans-68.1-42.9178.3-70168.6000112.5E25 D26 N31 L32 K33 V609 C610E25-L29 VanDerWaalsContact O-CG 3.25Å; E25-L29 WeakPolarHBondContact O-CG 3.45Å; E25-L29 PolarHBondContact O-N 2.89Å; D26-L29 PolarHBondContact O-N 2.62Å; L29-N31 VanDerWaalsContact C-N 3.28Å; L29-N31 PolarHBondContact O-N 3.43Å; L29-L32 PolarHBondContact O-N 3.03Å; L29-K33 WeakPolarHBondContact O-CB 3.25Å; L29-K33 PolarHBondContact O-N 3.15Å; L29-V609 HydrophobicContact CD2-CB 4.06Å; L29-V609 HydrophobicContact CD2-CG1 3.66Å; L29-C610 HydrophobicContact CD1-CB 3.58Å; L29-C610 HydrophobicContact CD2-CB 4.15Å; L29-C610 HydrophobicContact CG-CB 4.47Å
30E95.9Very high93.8Very high139 Ų13955.5 Ų55.565%0.6528%0.28SS*.Hα-helixtrans-60.1-40.5175.5-76.2-174.8172.100111.5D26 K33 K34D26-E30 WeakPolarHBondContact O-CB 3.45Å; D26-E30 WeakPolarHBondContact O-CG 3.31Å; D26-E30 PolarHBondContact O-N 3.49Å; E30-K33 PolarHBondContact O-N 3.44Å; E30-K34 VanDerWaalsContact O-CB 3.26Å; E30-K34 WeakPolarHBondContact O-CB 3.41Å; E30-K34 PolarHBondContact O-N 2.78Å
31N96.4Very high94.1Very high10 Ų1055.1 Ų55.15%0.05328%0.278CS..Hα-helixtrans-65.3-47.7176.8-173.547.6000112G13 V14 M17 L20 S27 F28 L29 K33 K34 R35G13-N31 WeakPolarHBondContact CA-OD1 3.26Å; V14-N31 PolarHBondContact N-OD1 3.22Å; V14-N31 PolarHBondContact O-ND2 3.46Å; M17-N31 HydrophobicContact CE-CB 4.24Å; M17-N31 VanDerWaalsContact CE-ND2 3.34Å; M17-N31 WeakPolarHBondContact CE-ND2 3.31Å; M17-N31 HydrophobicContact SD-CB 4.43Å; M17-N31 PolarHBondContact SD-ND2 3.13Å; L20-N31 HydrophobicContact CD1-CB 4.11Å; S27-N31 WeakPolarHBondContact O-CB 3.4Å; S27-N31 PolarHBondContact O-N 3.49Å; F28-N31 PolarHBondContact O-N 2.7Å; L29-N31 VanDerWaalsContact C-N 3.28Å; L29-N31 PolarHBondContact O-N 3.43Å; N31-K33 VanDerWaalsContact C-N 3.31Å; N31-K33 PolarHBondContact O-N 2.91Å; N31-K34 PolarHBondContact O-N 3.01Å; N31-R35 WeakPolarHBondContact O-CB 3.44Å; N31-R35 WeakPolarHBondContact O-CG 3.49Å; N31-R35 PolarHBondContact O-N 2.87Å
32L96.6Very high94.7Very high2 Ų252.4 Ų52.41%0.0127%0.265CS..Hα-helixtrans-58.9-43.4175.9-73.5-176.4000111.8M17 F28 L29 R35 F36 I50 L52 I593 F604 V609M17-L32 HydrophobicContact CE-CD1 4.45Å; M17-L32 HydrophobicContact CE-CD2 3.34Å; M17-L32 HydrophobicContact CE-CG 3.5Å; F28-L32 HydrophobicContact CD1-CD1 4Å; F28-L32 HydrophobicContact CD1-CG 4.41Å; F28-L32 HydrophobicContact CE1-CD1 3.59Å; F28-L32 HydrophobicContact CE1-CG 4.2Å; F28-L32 PolarHBondContact O-N 3.22Å; F28-L32 VanDerWaalsContact O-N 3.1Å; L29-L32 PolarHBondContact O-N 3.03Å; L32-R35 PolarHBondContact O-N 3.38Å; L32-F36 VanDerWaalsContact O-CB 3.24Å; L32-F36 WeakPolarHBondContact O-CB 3.06Å; L32-F36 PolarHBondContact O-N 3.32Å; L32-I50 HydrophobicContact CD2-CD1 4.47Å; L32-I50 HydrophobicContact CD2-CG2 4.39Å; L32-L52 HydrophobicContact CD1-CD1 4.5Å; L32-L52 HydrophobicContact CD2-CD1 3.98Å; L32-I593 HydrophobicContact CD1-CD1 4.17Å; L32-F604 HydrophobicContact CB-CE2 4.44Å; L32-F604 HydrophobicContact CB-CZ 4.42Å; L32-V609 HydrophobicContact CD1-CG1 4.15Å
33K96.8Very high95.1Very high101 Ų10148.6 Ų48.644%0.43924%0.24SC..Hα-helixtrans-62.1-50.5177.2-176.2178177.1-177.50111.5L29 E30 N31 R35 F36 D37 F604L29-K33 WeakPolarHBondContact O-CB 3.25Å; L29-K33 PolarHBondContact O-N 3.15Å; E30-K33 PolarHBondContact O-N 3.44Å; N31-K33 VanDerWaalsContact C-N 3.31Å; N31-K33 PolarHBondContact O-N 2.91Å; K33-R35 VanDerWaalsContact C-N 3.3Å; K33-R35 PolarHBondContact O-N 2.85Å; K33-F36 PolarHBondContact O-N 3.45Å; K33-D37 WeakPolarHBondContact O-CB 3.33Å; K33-D37 PolarHBondContact O-N 2.77Å; K33-F604 HydrophobicContact CB-CD1 4Å; K33-F604 HydrophobicContact CB-CD2 4.44Å; K33-F604 HydrophobicContact CB-CE1 3.78Å; K33-F604 HydrophobicContact CB-CE2 4.23Å; K33-F604 HydrophobicContact CB-CG 4.33Å; K33-F604 HydrophobicContact CB-CZ 3.9Å; K33-F604 HydrophobicContact CD-CD1 3.97Å; K33-F604 HydrophobicContact CD-CE1 4.29Å; K33-F604 HydrophobicContact CG-CD1 3.85Å; K33-F604 HydrophobicContact CG-CE1 4.15Å; K33-F604 HydrophobicContact CG-CG 4.08Å
34K96.5Very high95.4Very high114 Ų11446.9 Ų46.950%0.49623%0.231SC..Hα-helixtrans-57.4-42.9179.3-177.2177.6179.6178.10111.6E30 N31 H38E30-K34 VanDerWaalsContact O-CB 3.26Å; E30-K34 WeakPolarHBondContact O-CB 3.41Å; E30-K34 PolarHBondContact O-N 2.78Å; N31-K34 PolarHBondContact O-N 3.01Å; K34-H38 PolarHBondContact O-N 3.43Å; K34-H38 PolarHBondContact O-ND1 3.38Å
35R97Very high95.4Very high3 Ų344 Ų441%0.01121%0.213CC..Hα-helixtrans-66.7-46.9176.4-71.8-177.862.168.46.3111.5I12 V14 N31 L32 K33 D37 H38 N39 E40 Y42 T43I12-R35 VanDerWaalsContact O-CG 3.31Å; I12-R35 WeakPolarHBondContact O-CG 3.16Å; I12-R35 PolarHBondContact O-NH1 2.74Å; V14-R35 WeakPolarHBondContact O-CD 3.41Å; N31-R35 WeakPolarHBondContact O-CB 3.44Å; N31-R35 WeakPolarHBondContact O-CG 3.49Å; N31-R35 PolarHBondContact O-N 2.87Å; L32-R35 PolarHBondContact O-N 3.38Å; K33-R35 VanDerWaalsContact C-N 3.3Å; K33-R35 PolarHBondContact O-N 2.85Å; R35-D37 VanDerWaalsContact C-N 3.33Å; R35-D37 PolarHBondContact O-N 3.35Å; R35-H38 CarbonylContact O-C 3.47Å; R35-H38 WeakPolarHBondContact O-CA 3.39Å; R35-H38 PolarHBondContact O-N 3.13Å; R35-N39 PolarHBondContact O-N 3.14Å; R35-E40 CarbonylContact C-O 3.52Å; R35-E40 HydrophobicContact CB-CB 3.92Å; R35-E40 WeakPolarHBondContact CB-O 3.21Å; R35-E40 HydrophobicContact CG-CB 4.49Å; R35-E40 IonicContact CZ-OE2 2.71Å; R35-E40 IonicContact NH2-OE2 3.64Å; R35-E40 PolarHBondContact NH2-OE2 3.45Å; R35-E40 WeakPolarHBondContact O-CB 3.47Å; R35-E40 PolarHBondContact O-N 3.2Å; R35-Y42 PolarHBondContact NE-O 3.5Å; R35-Y42 PolarHBondContact NH2-O 3.35Å; R35-T43 PolarHBondContact NE-OG1 3.46Å
36F96.3Very high95.3Very high6 Ų640.8 Ų40.83%0.02620%0.2CC..Hα-helixtrans-57.4-43.9177.6-175.5-101.5000112.5L32 K33 H38 N39 I41 L52 P595 F604L32-F36 VanDerWaalsContact O-CB 3.24Å; L32-F36 WeakPolarHBondContact O-CB 3.06Å; L32-F36 PolarHBondContact O-N 3.32Å; K33-F36 PolarHBondContact O-N 3.45Å; F36-H38 PolarHBondContact O-N 3.5Å; F36-N39 PolarHBondContact O-N 3.41Å; F36-I41 HydrophobicContact CD2-CG2 4.24Å; F36-I41 HydrophobicContact CE2-CG2 4.44Å; F36-L52 HydrophobicContact CB-CD2 4.14Å; F36-L52 HydrophobicContact CD2-CB 3.94Å; F36-L52 HydrophobicContact CD2-CD2 3.9Å; F36-L52 HydrophobicContact CE2-CB 4.3Å; F36-L52 HydrophobicContact CG-CD2 4.22Å; F36-P595 HydrophobicContact CE1-CB 4.33Å; F36-P595 HydrophobicContact CE2-CB 4.17Å; F36-P595 HydrophobicContact CE2-CG 4.02Å; F36-P595 HydrophobicContact CZ-CB 3.93Å; F36-P595 HydrophobicContact CZ-CG 3.81Å; F36-F604 HydrophobicContact CB-CD2 4.37Å; F36-F604 HydrophobicContact CD1-CB 4.23Å; F36-F604 HydrophobicContact CD1-CD2 4.07Å; F36-F604 HydrophobicContact CE1-CB 4.42Å; F36-F604 HydrophobicContact CG-CD2 4.26Å
37D95.5Very high95Very high82 Ų8236.9 Ų36.944%0.43918%0.182SC..Hα-helixtrans-62-25.4177.6-67.8-18.1000112.6K33 R35K33-D37 WeakPolarHBondContact O-CB 3.33Å; K33-D37 PolarHBondContact O-N 2.77Å; R35-D37 VanDerWaalsContact C-N 3.33Å; R35-D37 PolarHBondContact O-N 3.35Å
38H95.8Very high95Very high102 Ų10236 Ų3647%0.47218%0.175SC..THydrogen-bonded Turntrans-95.49.7175.1-67.576000113.5I12 K34 R35 F36 E40I12-H38 HydrophobicContact CD1-CB 3.74Å; I12-H38 HydrophobicContact CG2-CB 3.8Å; K34-H38 PolarHBondContact O-N 3.43Å; K34-H38 PolarHBondContact O-ND1 3.38Å; R35-H38 CarbonylContact O-C 3.47Å; R35-H38 WeakPolarHBondContact O-CA 3.39Å; R35-H38 PolarHBondContact O-N 3.13Å; F36-H38 PolarHBondContact O-N 3.5Å; H38-E40 VanDerWaalsContact C-N 3.25Å; H38-E40 PolarHBondContact O-N 3.39Å
39N95.3Very high95.1Very high65 Ų6535.9 Ų35.935%0.34818%0.175SC..THydrogen-bonded Turntrans68.717-177.3-46.9-58.5000115.3R35 F36 I41 R56 L58R35-N39 PolarHBondContact O-N 3.14Å; F36-N39 PolarHBondContact O-N 3.41Å; N39-I41 PolarHBondContact O-N 3.4Å; N39-R56 PolarHBondContact OD1-NH2 3.41Å; N39-L58 HydrophobicContact CB-CD2 4.48Å
40E96.1Very high95.2Very high56 Ų5634.8 Ų34.826%0.26217%0.169SC..  trans-87.884.8171.7-71.6-69.8138.400109I12 R35 H38I12-E40 HydrophobicContact CB-CG 4.47Å; I12-E40 HydrophobicContact CD1-CG 4.2Å; R35-E40 CarbonylContact C-O 3.52Å; R35-E40 HydrophobicContact CB-CB 3.92Å; R35-E40 WeakPolarHBondContact CB-O 3.21Å; R35-E40 HydrophobicContact CG-CB 4.49Å; R35-E40 IonicContact CZ-OE2 2.71Å; R35-E40 IonicContact NH2-OE2 3.64Å; R35-E40 PolarHBondContact NH2-OE2 3.45Å; R35-E40 WeakPolarHBondContact O-CB 3.47Å; R35-E40 PolarHBondContact O-N 3.2Å; H38-E40 VanDerWaalsContact C-N 3.25Å; H38-E40 PolarHBondContact O-N 3.39Å
41I97Very high95.3Very high3 Ų328.6 Ų28.62%0.01514%0.141CC..  trans-81.4-15-174.959.8164.3000114.6F36 N39 L52 P54 L58 I60 Y61F36-I41 HydrophobicContact CD2-CG2 4.24Å; F36-I41 HydrophobicContact CE2-CG2 4.44Å; N39-I41 PolarHBondContact O-N 3.4Å; I41-L52 WeakPolarHBondContact CB-O 3.44Å; I41-L52 PolarHBondContact O-N 3.39Å; I41-P54 HydrophobicContact CD1-CG 4.12Å; I41-P54 HydrophobicContact CG2-CB 4.04Å; I41-P54 HydrophobicContact CG2-CG 4.46Å; I41-L58 HydrophobicContact CD1-CD1 3.84Å; I41-L58 HydrophobicContact CG1-CD1 4.02Å; I41-L58 HydrophobicContact CG2-CD1 3.82Å; I41-I60 HydrophobicContact CD1-CD1 4.17Å; I41-I60 HydrophobicContact CG1-CD1 4.21Å; I41-Y61 WeakPolarHBondContact CD1-OH 3.32Å
42Y97.8Very high95.3Very high4 Ų428.3 Ų28.32%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-102.5138.7179.7-64.2-61.5000110.4R35 V49 I50 S51 I60 Y61 P79 H80 I81R35-Y42 PolarHBondContact NE-O 3.5Å; R35-Y42 PolarHBondContact NH2-O 3.35Å; Y42-V49 HydrophobicContact CD1-CG1 3.78Å; Y42-V49 HydrophobicContact CE1-CG1 4.49Å; Y42-V49 HydrophobicContact CG-CG1 4.48Å; Y42-I50 VanDerWaalsContact CA-O 3.27Å; Y42-I50 WeakPolarHBondContact CA-O 3.22Å; Y42-S51 WeakPolarHBondContact CE1-OG 3.23Å; Y42-I60 HydrophobicContact CD2-CD1 4.37Å; Y42-I60 HydrophobicContact CE2-CD1 3.91Å; Y42-Y61 HydrophobicContact CE2-CE1 4.09Å; Y42-Y61 VanDerWaalsContact OH-CE1 3.3Å; Y42-Y61 WeakPolarHBondContact OH-CE1 3.23Å; Y42-Y61 PolarHBondContact OH-OH 3.08Å; Y42-P79 WeakPolarHBondContact CB-O 3.43Å; Y42-H80 HydrophobicContact CD2-CB 4.47Å; Y42-H80 AromaticContact CD2-CD2 3.62Å; Y42-H80 AromaticContact CE2-CD2 3.55Å; Y42-H80 AromaticContact CE2-NE2 3.68Å; Y42-I81 HydrophobicContact CD1-CB 4.48Å; Y42-I81 HydrophobicContact CE1-CB 3.83Å; Y42-I81 HydrophobicContact CE1-CG2 4.39Å; Y42-I81 HydrophobicContact CE2-CB 4.38Å; Y42-I81 HydrophobicContact CE2-CG2 4.25Å; Y42-I81 WeakPolarHBondContact OH-CG2 3.24Å
43T97.1Very high95.3Very high1 Ų129.7 Ų29.71%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-144.3145.8173.4-49.20000108.8G15 M17 R35 I50G15-T43 WeakPolarHBondContact O-CG2 3.44Å; M17-T43 HydrophobicContact CE-CG2 3.95Å; M17-T43 HydrophobicContact CG-CG2 3.96Å; M17-T43 HydrophobicContact SD-CG2 4.27Å; R35-T43 PolarHBondContact NE-OG1 3.46Å; T43-I50 PolarHBondContact N-O 2.84Å; T43-I50 WeakPolarHBondContact O-CA 3.44Å; T43-I50 WeakPolarHBondContact O-CB 3.38Å; T43-I50 PolarHBondContact O-N 3.17Å
44Y95.4Very high95.2Very high1 Ų125.7 Ų25.70%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-94.7155.5-178.6-61.3-32.9000113.3G15 D16 M17 V48 V49 F74 P79 H80 A83G15-Y44 PolarHBondContact O-N 3.29Å; D16-Y44 WeakPolarHBondContact CA-O 3.38Å; M17-Y44 WeakPolarHBondContact CG-O 3.49Å; M17-Y44 PolarHBondContact N-O 3.18Å; Y44-V48 CarbonylContact C-O 3.48Å; Y44-V48 VanDerWaalsContact CA-O 3.28Å; Y44-V48 WeakPolarHBondContact CA-O 3.47Å; Y44-V49 HydrophobicContact CD1-CG2 3.95Å; Y44-V49 HydrophobicContact CE1-CG2 3.74Å; Y44-F74 AromaticContact CD1-CE1 3.46Å; Y44-F74 HydrophobicContact CD1-CE1 3.46Å; Y44-F74 VanDerWaalsContact CD1-CE1 3.46Å; Y44-F74 AromaticContact CD1-CZ 3.71Å; Y44-F74 HydrophobicContact CD1-CZ 3.71Å; Y44-F74 AromaticContact CD2-CD1 3.74Å; Y44-F74 HydrophobicContact CD2-CD1 3.74Å; Y44-F74 AromaticContact CD2-CE1 3.37Å; Y44-F74 HydrophobicContact CD2-CE1 3.37Å; Y44-F74 HydrophobicContact CD2-CZ 4.36Å; Y44-F74 HydrophobicContact CE1-CD1 4.38Å; Y44-F74 AromaticContact CE1-CE1 3.45Å; Y44-F74 HydrophobicContact CE1-CE1 3.45Å; Y44-F74 VanDerWaalsContact CE1-CE1 3.45Å; Y44-F74 HydrophobicContact CE1-CE2 4.38Å; Y44-F74 AromaticContact CE1-CZ 3.45Å; Y44-F74 HydrophobicContact CE1-CZ 3.45Å; Y44-F74 VanDerWaalsContact CE1-CZ 3.45Å; Y44-F74 AromaticContact CE2-CD1 3.5Å; Y44-F74 HydrophobicContact CE2-CD1 3.5Å; Y44-F74 VanDerWaalsContact CE2-CD1 3.5Å; Y44-F74 AromaticContact CE2-CE1 3.33Å; Y44-F74 HydrophobicContact CE2-CE1 3.33Å; Y44-F74 HydrophobicContact CE2-CG 4.41Å; Y44-F74 HydrophobicContact CE2-CZ 4.11Å; Y44-F74 HydrophobicContact CG-CD1 4.25Å; Y44-F74 AromaticContact CG-CE1 3.42Å; Y44-F74 HydrophobicContact CG-CE1 3.42Å; Y44-F74 VanDerWaalsContact CG-CE1 3.42Å; Y44-F74 HydrophobicContact CG-CZ 4.17Å; Y44-F74 AromaticContact CZ-CD1 3.82Å; Y44-F74 AromaticContact CZ-CE1 3.34Å; Y44-F74 AromaticContact CZ-CZ 3.62Å; Y44-P79 HydrophobicContact CD1-CB 3.97Å; Y44-P79 HydrophobicContact CD2-CB 3.99Å; Y44-P79 HydrophobicContact CD2-CG 3.97Å; Y44-P79 HydrophobicContact CE1-CB 3.79Å; Y44-P79 HydrophobicContact CE2-CB 3.85Å; Y44-P79 HydrophobicContact CE2-CG 4.06Å; Y44-P79 HydrophobicContact CG-CB 4.07Å; Y44-P79 HydrophobicContact CG-CG 4.34Å; Y44-P79 WeakPolarHBondContact OH-CA 3.38Å; Y44-H80 PolarHBondContact OH-N 3.43Å; Y44-H80 PolarHBondContact OH-O 2.79Å; Y44-A83 WeakPolarHBondContact OH-CB 3.04Å
45I92.3Very high95Very high0 Ų022.8 Ų22.80%012%0.118CC..EExtended strand (participates in β ladder)trans-12891.4155.1-58.4164.7000105.4D16 M17 V18 S47 V48 I50 L618 N621 V622 R625D16-I45 WeakPolarHBondContact OD1-CA 3.31Å; M17-I45 HydrophobicContact CB-CG1 3.93Å; M17-I45 HydrophobicContact CG-CG1 4.24Å; V18-I45 HydrophobicContact CG2-CG2 4.13Å; I45-S47 PolarHBondContact O-N 3.14Å; I45-S47 VanDerWaalsContact O-N 3.12Å; I45-V48 HydrophobicContact CB-CB 4.27Å; I45-V48 PolarHBondContact N-O 2.75Å; I45-V48 WeakPolarHBondContact O-CB 3.32Å; I45-V48 PolarHBondContact O-N 3.47Å; I45-I50 HydrophobicContact CD1-CD1 3.79Å; I45-I50 HydrophobicContact CD1-CG1 4.14Å; I45-I50 HydrophobicContact CG1-CD1 3.92Å; I45-I50 HydrophobicContact CG1-CG1 4.36Å; I45-L618 HydrophobicContact CD1-CB 4.06Å; I45-L618 HydrophobicContact CD1-CD2 3.88Å; I45-L618 HydrophobicContact CD1-CG 4.47Å; I45-N621 HydrophobicContact CG2-CB 4.46Å; I45-N621 WeakPolarHBondContact CG2-OD1 3.32Å; I45-V622 HydrophobicContact CB-CG2 4.4Å; I45-V622 HydrophobicContact CD1-CG2 3.94Å; I45-V622 HydrophobicContact CG1-CG2 3.82Å; I45-V622 HydrophobicContact CG2-CB 4.41Å; I45-V622 HydrophobicContact CG2-CG2 3.7Å; I45-R625 HydrophobicContact CG2-CG 4.49Å
46G87.6Confident94.8Very high5 Ų527.6 Ų27.65%0.05214%0.136CC..THydrogen-bonded Turntrans58.4-115.8-168.300000111.1D16 F74D16-G46 PolarHBondContact OD1-N 3.19Å; G46-F74 WeakPolarHBondContact O-CE1 3.37Å
47S86.7Confident94.6Very high36 Ų3633.1 Ų33.125%0.25218%0.176SC..THydrogen-bonded Turntrans-87.9-5.1176.355.20000114.7I45 F74 R625I45-S47 PolarHBondContact O-N 3.14Å; I45-S47 VanDerWaalsContact O-N 3.12Å; S47-F74 WeakPolarHBondContact O-CZ 3.29Å; S47-R625 PolarHBondContact OG-NH2 2.99Å
48V93.4Very high94.4Very high0 Ų029.9 Ų29.90%016%0.158CC..EExtended strand (participates in β ladder)trans-84.1136.9-179.9-179.20000110.5Y44 I45 F412 Y589 R591Y44-V48 CarbonylContact C-O 3.48Å; Y44-V48 VanDerWaalsContact CA-O 3.28Å; Y44-V48 WeakPolarHBondContact CA-O 3.47Å; I45-V48 HydrophobicContact CB-CB 4.27Å; I45-V48 PolarHBondContact N-O 2.75Å; I45-V48 WeakPolarHBondContact O-CB 3.32Å; I45-V48 PolarHBondContact O-N 3.47Å; V48-F412 HydrophobicContact CG2-CE2 3.95Å; V48-F412 HydrophobicContact CG2-CZ 3.94Å; V48-Y589 HydrophobicContact CG2-CD2 4.39Å; V48-R591 HydrophobicContact CG1-CG 3.68Å
49V97Very high94.3Very high0 Ų030.4 Ų30.40%017%0.17CC..EExtended strand (participates in β ladder)trans-104117.9177.8-176.90000110.8Y42 Y44 F74 L84 Y589 I590 R591Y42-V49 HydrophobicContact CD1-CG1 3.78Å; Y42-V49 HydrophobicContact CE1-CG1 4.49Å; Y42-V49 HydrophobicContact CG-CG1 4.48Å; Y44-V49 HydrophobicContact CD1-CG2 3.95Å; Y44-V49 HydrophobicContact CE1-CG2 3.74Å; V49-F74 HydrophobicContact CG2-CZ 4.02Å; V49-L84 HydrophobicContact CB-CD1 4.27Å; V49-L84 HydrophobicContact CG2-CB 3.83Å; V49-L84 HydrophobicContact CG2-CD1 3.61Å; V49-L84 HydrophobicContact CG2-CG 4.38Å; V49-Y589 PolarHBondContact N-O 3.45Å; V49-I590 CarbonylContact O-C 3.56Å; V49-I590 WeakPolarHBondContact O-CA 3.42Å; V49-R591 PolarHBondContact O-N 2.85Å
50I97.6Very high94.3Very high0 Ų029.1 Ų29.10%016%0.163CC..EExtended strand (participates in β ladder)trans-83.3130.4165.1-53.3171.9000108.1M17 F28 L32 Y42 T43 I45 L52 R591 I593 L618M17-I50 HydrophobicContact CG-CD1 4.27Å; F28-I50 HydrophobicContact CZ-CD1 3.88Å; L32-I50 HydrophobicContact CD2-CD1 4.47Å; L32-I50 HydrophobicContact CD2-CG2 4.39Å; Y42-I50 VanDerWaalsContact CA-O 3.27Å; Y42-I50 WeakPolarHBondContact CA-O 3.22Å; T43-I50 PolarHBondContact N-O 2.84Å; T43-I50 WeakPolarHBondContact O-CA 3.44Å; T43-I50 WeakPolarHBondContact O-CB 3.38Å; T43-I50 PolarHBondContact O-N 3.17Å; I45-I50 HydrophobicContact CD1-CD1 3.79Å; I45-I50 HydrophobicContact CD1-CG1 4.14Å; I45-I50 HydrophobicContact CG1-CD1 3.92Å; I45-I50 HydrophobicContact CG1-CG1 4.36Å; I50-L52 HydrophobicContact CG2-CD1 3.79Å; I50-R591 CarbonylContact C-O 3.58Å; I50-R591 WeakPolarHBondContact CA-O 3.14Å; I50-I593 HydrophobicContact CG2-CD1 3.63Å; I50-I593 HydrophobicContact CG2-CG1 4.25Å; I50-L618 HydrophobicContact CD1-CD1 4.15Å; I50-L618 HydrophobicContact CG1-CD1 4.43Å
51S97.7Very high94.2Very high10 Ų1029.8 Ų29.87%0.0716%0.164CC..EExtended strand (participates in β ladder)trans-124.6113.5179.3179.20000110.6Y42 R591 C592 I593Y42-S51 WeakPolarHBondContact CE1-OG 3.23Å; S51-R591 PolarHBondContact N-O 3.32Å; S51-C592 CarbonylContact O-C 3.55Å; S51-C592 WeakPolarHBondContact O-CA 3.21Å; S51-I593 PolarHBondContact O-N 3.08Å
52L97Very high94Very high3 Ų332 Ų322%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-91.7128.7174-8375000110.2L32 F36 I41 I50 P54 I593 F604L32-L52 HydrophobicContact CD1-CD1 4.5Å; L32-L52 HydrophobicContact CD2-CD1 3.98Å; F36-L52 HydrophobicContact CB-CD2 4.14Å; F36-L52 HydrophobicContact CD2-CB 3.94Å; F36-L52 HydrophobicContact CD2-CD2 3.9Å; F36-L52 HydrophobicContact CE2-CB 4.3Å; F36-L52 HydrophobicContact CG-CD2 4.22Å; I41-L52 WeakPolarHBondContact CB-O 3.44Å; I41-L52 PolarHBondContact O-N 3.39Å; I50-L52 HydrophobicContact CG2-CD1 3.79Å; L52-P54 WeakPolarHBondContact O-CD 3.47Å; L52-I593 WeakPolarHBondContact CA-O 3.31Å; L52-I593 HydrophobicContact CD1-CB 4.36Å; L52-I593 HydrophobicContact CD1-CD1 4.39Å; L52-I593 HydrophobicContact CG-CB 4.18Å; L52-I593 HydrophobicContact CG-CG2 4.36Å; L52-F604 HydrophobicContact CD2-CD2 4.29Å; L52-F604 HydrophobicContact CD2-CE2 3.79Å
53N95.5Very high93.7Very high31 Ų3137 Ų3717%0.16621%0.211CC..  trans-68.8114.3-179.9-171.4-10.3000111.9Y55 G108 I593 P595N53-Y55 VanDerWaalsContact C-N 3.28Å; N53-Y55 VanDerWaalsContact ND2-CE1 3.3Å; N53-Y55 WeakPolarHBondContact ND2-CE1 3.5Å; N53-Y55 PolarHBondContact O-N 3.4Å; N53-Y55 PolarHBondContact OD1-N 3.44Å; N53-G108 PolarHBondContact ND2-O 2.82Å; N53-I593 PolarHBondContact N-O 3.29Å; N53-P595 WeakPolarHBondContact O-CD 3.49Å; N53-P595 WeakPolarHBondContact O-CG 3.41Å
54P94.5Very high93.5Very high18 Ų1843.2 Ų43.212%0.11724%0.244CC..  trans-73.5-14.5-179.129-35000114.6I41 L52 R56 L58I41-P54 HydrophobicContact CD1-CG 4.12Å; I41-P54 HydrophobicContact CG2-CB 4.04Å; I41-P54 HydrophobicContact CG2-CG 4.46Å; L52-P54 WeakPolarHBondContact O-CD 3.47Å; P54-R56 HydrophobicContact CB-CG 4.11Å; P54-R56 VanDerWaalsContact CG-O 3.31Å; P54-R56 WeakPolarHBondContact CG-O 3.15Å; P54-R56 PolarHBondContact O-N 3.44Å; P54-R56 VanDerWaalsContact O-N 3.12Å; P54-L58 HydrophobicContact CB-CD1 4.01Å; P54-L58 HydrophobicContact CB-CG 4.18Å; P54-L58 HydrophobicContact CG-CD1 4.12Å; P54-L58 HydrophobicContact CG-CG 4.24Å
55Y92.8Very high93.4Very high53 Ų5345.6 Ų45.621%0.20825%0.254CS..SBendtrans53.325.2-169.5-65.8-65.8000114.6N53 G108 K594 P595 K599 A600N53-Y55 VanDerWaalsContact C-N 3.28Å; N53-Y55 VanDerWaalsContact ND2-CE1 3.3Å; N53-Y55 WeakPolarHBondContact ND2-CE1 3.5Å; N53-Y55 PolarHBondContact O-N 3.4Å; N53-Y55 PolarHBondContact OD1-N 3.44Å; Y55-G108 PolarHBondContact OH-O 2.94Å; Y55-K594 WeakPolarHBondContact OH-CE 3.34Å; Y55-K594 WeakPolarHBondContact OH-CG 3.14Å; Y55-P595 HydrophobicContact CD2-CG 4.19Å; Y55-P595 HydrophobicContact CE2-CG 3.96Å; Y55-K599 HydrophobicContact CD1-CB 4.05Å; Y55-K599 HydrophobicContact CE1-CB 3.87Å; Y55-K599 HydrophobicContact CE1-CG 4Å; Y55-A600 WeakPolarHBondContact CD2-O 3.23Å
56R91.9Very high93.5Very high103 Ų10346.4 Ų46.439%0.38926%0.259SS..SBendtrans-157.5157.5174.665.7-179-171.7152.26.6110.8N39 P54 L58 H602N39-R56 PolarHBondContact OD1-NH2 3.41Å; P54-R56 HydrophobicContact CB-CG 4.11Å; P54-R56 VanDerWaalsContact CG-O 3.31Å; P54-R56 WeakPolarHBondContact CG-O 3.15Å; P54-R56 PolarHBondContact O-N 3.44Å; P54-R56 VanDerWaalsContact O-N 3.12Å; R56-L58 HydrophobicContact CG-CD2 4.16Å; R56-L58 PolarHBondContact O-N 3.42Å; R56-H602 PolarHBondContact NH1-NE2 3.09Å; R56-H602 PolarHBondContact NH2-CE1 3.34Å; R56-H602 VanDerWaalsContact NH2-CE1 3.27Å
57S91.9Very high93.7Very high123 Ų12351.5 Ų51.586%0.8628%0.282SS*.  trans-73.4122.9173.7-53.90000110.7
58L92.9Very high94Very high14 Ų1453.3 Ų53.37%0.07329%0.286CS..  trans-98.9142.8174.3-64-179.7000110.3N39 I41 P54 R56 I60N39-L58 HydrophobicContact CB-CD2 4.48Å; I41-L58 HydrophobicContact CD1-CD1 3.84Å; I41-L58 HydrophobicContact CG1-CD1 4.02Å; I41-L58 HydrophobicContact CG2-CD1 3.82Å; P54-L58 HydrophobicContact CB-CD1 4.01Å; P54-L58 HydrophobicContact CB-CG 4.18Å; P54-L58 HydrophobicContact CG-CD1 4.12Å; P54-L58 HydrophobicContact CG-CG 4.24Å; R56-L58 HydrophobicContact CG-CD2 4.16Å; R56-L58 PolarHBondContact O-N 3.42Å; L58-I60 HydrophobicContact CB-CD1 4.04Å; L58-I60 HydrophobicContact CB-CG1 3.88Å; L58-I60 HydrophobicContact CB-CG2 4.49Å; L58-I60 HydrophobicContact CD1-CD1 4Å; L58-I60 PolarHBondContact O-N 3.48Å
59P93.4Very high94Very high112 Ų11253.6 Ų53.673%0.72729%0.287SS*.THydrogen-bonded Turntrans-78.541.4179.935.3-37.6000112.6
60I94.4Very high93.7Very high39 Ų3957.3 Ų57.320%0.230%0.301CS..THydrogen-bonded Turntrans-109.2-4.5-178.463.9-179.5000112.8I41 Y42 L58 K65 H80I41-I60 HydrophobicContact CD1-CD1 4.17Å; I41-I60 HydrophobicContact CG1-CD1 4.21Å; Y42-I60 HydrophobicContact CD2-CD1 4.37Å; Y42-I60 HydrophobicContact CE2-CD1 3.91Å; L58-I60 HydrophobicContact CB-CD1 4.04Å; L58-I60 HydrophobicContact CB-CG1 3.88Å; L58-I60 HydrophobicContact CB-CG2 4.49Å; L58-I60 HydrophobicContact CD1-CD1 4Å; L58-I60 PolarHBondContact O-N 3.48Å; I60-K65 WeakPolarHBondContact O-CB 3.48Å; I60-K65 WeakPolarHBondContact O-CG 3.35Å; I60-H80 PolarHBondContact O-NE2 3.23Å
61Y94.5Very high93.3Very high70 Ų7060.9 Ų60.928%0.27532%0.32SS..SBendtrans-106.936-179.5-50.2-63.5000112.4I41 Y42 H80 I81 L117I41-Y61 WeakPolarHBondContact CD1-OH 3.32Å; Y42-Y61 HydrophobicContact CE2-CE1 4.09Å; Y42-Y61 VanDerWaalsContact OH-CE1 3.3Å; Y42-Y61 WeakPolarHBondContact OH-CE1 3.23Å; Y42-Y61 PolarHBondContact OH-OH 3.08Å; Y61-H80 AromaticContact CD1-CE1 3.97Å; Y61-H80 AromaticContact CD1-NE2 3.87Å; Y61-H80 AromaticContact CE1-NE2 3.68Å; Y61-I81 HydrophobicContact CE1-CG2 4.35Å; Y61-L117 HydrophobicContact CD1-CD1 4.04Å; Y61-L117 HydrophobicContact CD1-CD2 3.51Å; Y61-L117 HydrophobicContact CD1-CG 4.38Å; Y61-L117 HydrophobicContact CD2-CD2 4.28Å; Y61-L117 HydrophobicContact CE1-CD1 3.44Å; Y61-L117 VanDerWaalsContact CE1-CD1 3.44Å; Y61-L117 HydrophobicContact CE1-CD2 3.85Å; Y61-L117 HydrophobicContact CE1-CG 4.25Å; Y61-L117 HydrophobicContact CE2-CD1 4.31Å; Y61-L117 HydrophobicContact CG-CD2 3.73Å
62T93.2Very high92.6Very high50 Ų5063.9 Ų63.931%0.30733%0.33SS..SBendtrans-83.2158.5179.760.10000111.6D64 K65 V66T62-D64 PolarHBondContact O-N 3.36Å; T62-K65 WeakPolarHBondContact O-CB 3.47Å; T62-K65 PolarHBondContact O-N 3.23Å; T62-K65 WeakPolarHBondContact OG1-CG 3.45Å; T62-K65 PolarHBondContact OG1-N 3.25Å; T62-V66 PolarHBondContact O-N 3.23Å; T62-V66 VanDerWaalsContact O-N 3.1Å
63P90.5Very high91.9Very high108 Ų10868.2 Ų68.270%0.70135%0.353SS*.Hα-helixtrans-56.5-35.4172-25.935.4000113.1K65 V66 E67P63-K65 VanDerWaalsContact C-N 3.29Å; P63-K65 PolarHBondContact O-N 2.71Å; P63-V66 WeakPolarHBondContact O-CB 3.36Å; P63-V66 PolarHBondContact O-N 2.8Å; P63-V66 VanDerWaalsContact O-N 3.12Å; P63-E67 PolarHBondContact O-N 3.08Å; P63-E67 VanDerWaalsContact O-N 3.13Å
64D93.1Very high91.2Very high131 Ų13167.8 Ų67.870%0.70135%0.35SS*.Hα-helixtrans-60.8-39.9175.1-60.7-27.1000111.6T62 E67 E68T62-D64 PolarHBondContact O-N 3.36Å; D64-E67 PolarHBondContact O-N 3.08Å; D64-E68 WeakPolarHBondContact O-CB 3.39Å; D64-E68 PolarHBondContact O-N 3.47Å
65K93.9Very high90.5Very high51 Ų5171 Ų7122%0.22236%0.36CS..Hα-helixtrans-68.3-33.6175.1-77.5-77.6170.3-163.60112.2I60 T62 P63 E68 Y69I60-K65 WeakPolarHBondContact O-CB 3.48Å; I60-K65 WeakPolarHBondContact O-CG 3.35Å; T62-K65 WeakPolarHBondContact O-CB 3.47Å; T62-K65 PolarHBondContact O-N 3.23Å; T62-K65 WeakPolarHBondContact OG1-CG 3.45Å; T62-K65 PolarHBondContact OG1-N 3.25Å; P63-K65 VanDerWaalsContact C-N 3.29Å; P63-K65 PolarHBondContact O-N 2.71Å; K65-E68 VanDerWaalsContact CD-OE2 3.28Å; K65-E68 WeakPolarHBondContact CD-OE2 3.4Å; K65-E68 WeakPolarHBondContact CE-OE2 3.29Å; K65-E68 IonicContact NZ-OE1 2.78Å; K65-E68 PolarHBondContact NZ-OE1 2.83Å; K65-E68 IonicContact NZ-OE2 3.78Å; K65-E68 PolarHBondContact NZ-OE2 3.35Å; K65-E68 PolarHBondContact O-N 3.11Å; K65-Y69 HydrophobicContact CD-CD2 4.47Å; K65-Y69 HydrophobicContact CD-CE2 4.03Å; K65-Y69 VanDerWaalsContact O-CD2 3.3Å; K65-Y69 WeakPolarHBondContact O-CD2 3.34Å; K65-Y69 PolarHBondContact O-N 2.88Å; K65-Y69 VanDerWaalsContact O-N 3.16Å
66V93.6Very high90Very high18 Ų1870.4 Ų70.411%0.10936%0.36CS..Hα-helixtrans-59.7-48.4172.9174.80000110.1T62 P63 Y69 R70 Y82 Y121 A124 V125T62-V66 PolarHBondContact O-N 3.23Å; T62-V66 VanDerWaalsContact O-N 3.1Å; P63-V66 WeakPolarHBondContact O-CB 3.36Å; P63-V66 PolarHBondContact O-N 2.8Å; P63-V66 VanDerWaalsContact O-N 3.12Å; V66-Y69 PolarHBondContact O-N 2.85Å; V66-R70 WeakPolarHBondContact O-CB 3.41Å; V66-R70 PolarHBondContact O-N 2.84Å; V66-R70 VanDerWaalsContact O-N 3.12Å; V66-Y82 HydrophobicContact CG2-CD2 4.25Å; V66-Y82 HydrophobicContact CG2-CE2 3.64Å; V66-Y121 HydrophobicContact CB-CD2 4.43Å; V66-Y121 HydrophobicContact CB-CE2 4.39Å; V66-Y121 HydrophobicContact CG1-CD2 3.91Å; V66-Y121 HydrophobicContact CG1-CE2 3.79Å; V66-Y121 HydrophobicContact CG2-CD2 4.23Å; V66-A124 HydrophobicContact CG1-CB 4.01Å; V66-V125 HydrophobicContact CG1-CG1 3.97Å
67E91.9Very high89.9Confident112 Ų11266.4 Ų66.452%0.52335%0.346SS..Hα-helixtrans-71.1-31.3179.6-169.160.2-154.700112.8P63 D64 R70P63-E67 PolarHBondContact O-N 3.08Å; P63-E67 VanDerWaalsContact O-N 3.13Å; D64-E67 PolarHBondContact O-N 3.08Å; E67-R70 PolarHBondContact O-N 3.44Å; E67-R70 VanDerWaalsContact OE2-CD 3.3Å; E67-R70 WeakPolarHBondContact OE2-CD 3.38Å; E67-R70 IonicContact OE2-NH1 2.73Å; E67-R70 PolarHBondContact OE2-NH1 2.97Å; E67-R70 VanDerWaalsContact OE2-NH1 3.16Å
68E92.4Very high89.9Confident74 Ų7462.9 Ų62.935%0.34632%0.321SS..Hα-helixtrans-59.9-46.2174.5-173.5-178.2153.800111.9D64 K65 R72 L77D64-E68 WeakPolarHBondContact O-CB 3.39Å; D64-E68 PolarHBondContact O-N 3.47Å; K65-E68 VanDerWaalsContact CD-OE2 3.28Å; K65-E68 WeakPolarHBondContact CD-OE2 3.4Å; K65-E68 WeakPolarHBondContact CE-OE2 3.29Å; K65-E68 IonicContact NZ-OE1 2.78Å; K65-E68 PolarHBondContact NZ-OE1 2.83Å; K65-E68 IonicContact NZ-OE2 3.78Å; K65-E68 PolarHBondContact NZ-OE2 3.35Å; K65-E68 PolarHBondContact O-N 3.11Å; E68-R72 WeakPolarHBondContact O-CG 3.22Å; E68-L77 HydrophobicContact CG-CD1 4.04Å; E68-L77 HydrophobicContact CG-CD2 4.48Å; E68-L77 WeakPolarHBondContact O-CD1 3.27Å
69Y93.6Very high90Very high5 Ų562.4 Ų62.42%0.0232%0.319CS..Hα-helixtrans-84.1-9.9-178.6-79.2-92.8000114.1K65 V66 N71 R72 L77 S78 H80 A83K65-Y69 HydrophobicContact CD-CD2 4.47Å; K65-Y69 HydrophobicContact CD-CE2 4.03Å; K65-Y69 VanDerWaalsContact O-CD2 3.3Å; K65-Y69 WeakPolarHBondContact O-CD2 3.34Å; K65-Y69 PolarHBondContact O-N 2.88Å; K65-Y69 VanDerWaalsContact O-N 3.16Å; V66-Y69 PolarHBondContact O-N 2.85Å; Y69-N71 PolarHBondContact O-N 3.45Å; Y69-R72 PolarHBondContact O-N 3.45Å; Y69-L77 HydrophobicContact CD1-CB 4.31Å; Y69-L77 HydrophobicContact CD1-CD1 3.77Å; Y69-L77 HydrophobicContact CD2-CD1 4.18Å; Y69-L77 HydrophobicContact CE1-CB 3.69Å; Y69-L77 HydrophobicContact CE1-CD1 3.91Å; Y69-L77 HydrophobicContact CE1-CG 4.48Å; Y69-L77 HydrophobicContact CE2-CD1 4.32Å; Y69-L77 HydrophobicContact CG-CD1 3.92Å; Y69-S78 WeakPolarHBondContact CE1-O 3.49Å; Y69-S78 PolarHBondContact OH-O 3.43Å; Y69-S78 PolarHBondContact OH-OG 3.36Å; Y69-S78 VanDerWaalsContact OH-OG 3.13Å; Y69-H80 HydrophobicContact CD1-CB 4.2Å; Y69-H80 HydrophobicContact CE1-CB 3.47Å; Y69-H80 VanDerWaalsContact CE1-CB 3.47Å; Y69-H80 HydrophobicContact CE2-CB 4.04Å; Y69-H80 WeakPolarHBondContact OH-CB 3.41Å; Y69-A83 HydrophobicContact CD1-CB 3.99Å; Y69-A83 HydrophobicContact CE1-CB 4.31Å
70R92.5Very high90.1Very high79 Ų7957.4 Ų57.430%0.29829%0.286SS..THydrogen-bonded Turntrans-68130.3-177.3-169.1-175.9-174.6-178.34.4112.5V66 E67 R72 D86 Y121 V125V66-R70 WeakPolarHBondContact O-CB 3.41Å; V66-R70 PolarHBondContact O-N 2.84Å; V66-R70 VanDerWaalsContact O-N 3.12Å; E67-R70 PolarHBondContact O-N 3.44Å; E67-R70 VanDerWaalsContact OE2-CD 3.3Å; E67-R70 WeakPolarHBondContact OE2-CD 3.38Å; E67-R70 IonicContact OE2-NH1 2.73Å; E67-R70 PolarHBondContact OE2-NH1 2.97Å; E67-R70 VanDerWaalsContact OE2-NH1 3.16Å; R70-R72 PolarHBondContact O-N 3.04Å; R70-D86 WeakPolarHBondContact CA-OD1 3.38Å; R70-Y121 VanDerWaalsContact CA-OH 3.32Å; R70-Y121 WeakPolarHBondContact CA-OH 3.13Å; R70-V125 HydrophobicContact CG-CG1 4.24Å; R70-V125 PolarHBondContact NH2-O 3.5Å
71N87.9Confident90.2Very high74 Ų7455.5 Ų55.540%0.39628%0.276SS..THydrogen-bonded Turntrans51.139.1-178-53.8-57.1000112.7Y69 D86 R93Y69-N71 PolarHBondContact O-N 3.45Å; N71-D86 VanDerWaalsContact CA-OD2 3.3Å; N71-D86 WeakPolarHBondContact CA-OD2 3.18Å; N71-D86 VanDerWaalsContact N-CG 3.3Å; N71-D86 PolarHBondContact N-OD1 2.8Å; N71-D86 PolarHBondContact N-OD2 3.48Å; N71-R93 PolarHBondContact OD1-NH1 3.2Å; N71-R93 PolarHBondContact OD1-NH2 3.37Å
72R84.3Confident90.3Very high74 Ų7452.6 Ų52.628%0.27927%0.265SS..  trans-109.2150.4175.3-64.1-63.1176.7-140.5-7.7110.7V3 E68 Y69 R70 E76 L77 D86 R90V3-R72 VanDerWaalsContact CG2-CZ 3.47Å; E68-R72 WeakPolarHBondContact O-CG 3.22Å; Y69-R72 PolarHBondContact O-N 3.45Å; R70-R72 PolarHBondContact O-N 3.04Å; R72-E76 WeakPolarHBondContact CD-OE2 3Å; R72-L77 HydrophobicContact CB-CD1 4.22Å; R72-L77 HydrophobicContact CG-CD1 3.93Å; R72-D86 PolarHBondContact N-OD2 3.42Å; R72-R90 PolarHBondContact O-NH2 3.44Å
73N81.3Confident90.4Very high94 Ų9450.4 Ų50.450%0.50325%0.252SS..  trans-76.7152.3173.1-63.8-49.6000110.4Y75 E76N73-Y75 PolarHBondContact O-N 2.73Å; N73-Y75 VanDerWaalsContact O-N 3.08Å; N73-E76 HydrophobicContact CB-CG 3.98Å; N73-E76 PolarHBondContact N-OE2 3.26Å; N73-E76 PolarHBondContact ND2-OE1 2.76Å; N73-E76 PolarHBondContact O-N 3.3Å; N73-E76 VanDerWaalsContact O-N 3.13Å
74F80.7Confident90.6Very high22 Ų2245.3 Ų45.310%0.09622%0.218CC..THydrogen-bonded Turntrans-56.2-31.6-172.6-150-97.5000114.5Y44 G46 S47 V49 A83 L84Y44-F74 AromaticContact CD1-CE1 3.46Å; Y44-F74 HydrophobicContact CD1-CE1 3.46Å; Y44-F74 VanDerWaalsContact CD1-CE1 3.46Å; Y44-F74 AromaticContact CD1-CZ 3.71Å; Y44-F74 HydrophobicContact CD1-CZ 3.71Å; Y44-F74 AromaticContact CD2-CD1 3.74Å; Y44-F74 HydrophobicContact CD2-CD1 3.74Å; Y44-F74 AromaticContact CD2-CE1 3.37Å; Y44-F74 HydrophobicContact CD2-CE1 3.37Å; Y44-F74 HydrophobicContact CD2-CZ 4.36Å; Y44-F74 HydrophobicContact CE1-CD1 4.38Å; Y44-F74 AromaticContact CE1-CE1 3.45Å; Y44-F74 HydrophobicContact CE1-CE1 3.45Å; Y44-F74 VanDerWaalsContact CE1-CE1 3.45Å; Y44-F74 HydrophobicContact CE1-CE2 4.38Å; Y44-F74 AromaticContact CE1-CZ 3.45Å; Y44-F74 HydrophobicContact CE1-CZ 3.45Å; Y44-F74 VanDerWaalsContact CE1-CZ 3.45Å; Y44-F74 AromaticContact CE2-CD1 3.5Å; Y44-F74 HydrophobicContact CE2-CD1 3.5Å; Y44-F74 VanDerWaalsContact CE2-CD1 3.5Å; Y44-F74 AromaticContact CE2-CE1 3.33Å; Y44-F74 HydrophobicContact CE2-CE1 3.33Å; Y44-F74 HydrophobicContact CE2-CG 4.41Å; Y44-F74 HydrophobicContact CE2-CZ 4.11Å; Y44-F74 HydrophobicContact CG-CD1 4.25Å; Y44-F74 AromaticContact CG-CE1 3.42Å; Y44-F74 HydrophobicContact CG-CE1 3.42Å; Y44-F74 VanDerWaalsContact CG-CE1 3.42Å; Y44-F74 HydrophobicContact CG-CZ 4.17Å; Y44-F74 AromaticContact CZ-CD1 3.82Å; Y44-F74 AromaticContact CZ-CE1 3.34Å; Y44-F74 AromaticContact CZ-CZ 3.62Å; G46-F74 WeakPolarHBondContact O-CE1 3.37Å; S47-F74 WeakPolarHBondContact O-CZ 3.29Å; V49-F74 HydrophobicContact CG2-CZ 4.02Å; F74-A83 HydrophobicContact CD2-CB 3.98Å; F74-A83 HydrophobicContact CE2-CB 4.1Å; F74-L84 HydrophobicContact CE2-CB 4.12Å
75Y80.8Confident90.7Very high84 Ų8439 Ų3933%0.32919%0.185SC..THydrogen-bonded Turntrans-100.33.7-175.8-63.1-86000114.6S6 L7 N73S6-Y75 WeakPolarHBondContact CA-O 3.07Å; L7-Y75 WeakPolarHBondContact CB-O 3.49Å; L7-Y75 HydrophobicContact CD2-CD1 3.72Å; L7-Y75 HydrophobicContact CD2-CE1 4.32Å; L7-Y75 PolarHBondContact N-O 3.15Å; N73-Y75 PolarHBondContact O-N 2.73Å; N73-Y75 VanDerWaalsContact O-N 3.08Å
76E81.6Confident90.7Very high42 Ų4236.7 Ų36.720%0.19618%0.175CC..THydrogen-bonded Turntrans-81.6-24.2179.2-75173.4-174.200113.1T5 S6 R72 N73T5-E76 CarbonylContact C-O 3.53Å; T5-E76 VanDerWaalsContact CB-O 3.32Å; T5-E76 WeakPolarHBondContact CB-O 3.47Å; T5-E76 CarbonylContact O-C 3.6Å; T5-E76 WeakPolarHBondContact O-CA 2.99Å; T5-E76 PolarHBondContact OG1-O 2.96Å; S6-E76 CarbonylContact C-O 3.6Å; S6-E76 WeakPolarHBondContact CA-O 3.09Å; S6-E76 PolarHBondContact N-O 3.29Å; R72-E76 WeakPolarHBondContact CD-OE2 3Å; N73-E76 HydrophobicContact CB-CG 3.98Å; N73-E76 PolarHBondContact N-OE2 3.26Å; N73-E76 PolarHBondContact ND2-OE1 2.76Å; N73-E76 PolarHBondContact O-N 3.3Å; N73-E76 VanDerWaalsContact O-N 3.13Å
77L88.8Confident90.6Very high19 Ų1938.6 Ų38.610%0.09918%0.182CC..SBendtrans-128.2168.5-175.5-64.7176.1000110.9E68 Y69 R72E68-L77 HydrophobicContact CG-CD1 4.04Å; E68-L77 HydrophobicContact CG-CD2 4.48Å; E68-L77 WeakPolarHBondContact O-CD1 3.27Å; Y69-L77 HydrophobicContact CD1-CB 4.31Å; Y69-L77 HydrophobicContact CD1-CD1 3.77Å; Y69-L77 HydrophobicContact CD2-CD1 4.18Å; Y69-L77 HydrophobicContact CE1-CB 3.69Å; Y69-L77 HydrophobicContact CE1-CD1 3.91Å; Y69-L77 HydrophobicContact CE1-CG 4.48Å; Y69-L77 HydrophobicContact CE2-CD1 4.32Å; Y69-L77 HydrophobicContact CG-CD1 3.92Å; R72-L77 HydrophobicContact CB-CD1 4.22Å; R72-L77 HydrophobicContact CG-CD1 3.93Å
78S92.2Very high90.6Very high48 Ų4833.2 Ų33.234%0.33616%0.157SC..SBendtrans-65.2157.3176.260.20000111.5Y69 H80Y69-S78 WeakPolarHBondContact CE1-O 3.49Å; Y69-S78 PolarHBondContact OH-O 3.43Å; Y69-S78 PolarHBondContact OH-OG 3.36Å; Y69-S78 VanDerWaalsContact OH-OG 3.13Å; S78-H80 PolarHBondContact O-N 3.24Å
79P95.8Very high90.5Very high5 Ų530.4 Ų30.43%0.03214%0.143CC..  trans-59.3127.9-175-2636.3000113.4L7 G15 Y42 Y44L7-P79 HydrophobicContact CD1-CG 3.71Å; G15-P79 VanDerWaalsContact O-CG 3.32Å; G15-P79 WeakPolarHBondContact O-CG 3.2Å; Y42-P79 WeakPolarHBondContact CB-O 3.43Å; Y44-P79 HydrophobicContact CD1-CB 3.97Å; Y44-P79 HydrophobicContact CD2-CB 3.99Å; Y44-P79 HydrophobicContact CD2-CG 3.97Å; Y44-P79 HydrophobicContact CE1-CB 3.79Å; Y44-P79 HydrophobicContact CE2-CB 3.85Å; Y44-P79 HydrophobicContact CE2-CG 4.06Å; Y44-P79 HydrophobicContact CG-CB 4.07Å; Y44-P79 HydrophobicContact CG-CG 4.34Å; Y44-P79 WeakPolarHBondContact OH-CA 3.38Å
80H96.1Very high90.3Very high6 Ų631.8 Ų31.83%0.02815%0.149CC..  trans-156.7147.9178.7-162.3-99.7000112.2Y42 Y44 I60 Y61 Y69 S78 Y82 A83Y42-H80 HydrophobicContact CD2-CB 4.47Å; Y42-H80 AromaticContact CD2-CD2 3.62Å; Y42-H80 AromaticContact CE2-CD2 3.55Å; Y42-H80 AromaticContact CE2-NE2 3.68Å; Y44-H80 PolarHBondContact OH-N 3.43Å; Y44-H80 PolarHBondContact OH-O 2.79Å; I60-H80 PolarHBondContact O-NE2 3.23Å; Y61-H80 AromaticContact CD1-CE1 3.97Å; Y61-H80 AromaticContact CD1-NE2 3.87Å; Y61-H80 AromaticContact CE1-NE2 3.68Å; Y69-H80 HydrophobicContact CD1-CB 4.2Å; Y69-H80 HydrophobicContact CE1-CB 3.47Å; Y69-H80 VanDerWaalsContact CE1-CB 3.47Å; Y69-H80 HydrophobicContact CE2-CB 4.04Å; Y69-H80 WeakPolarHBondContact OH-CB 3.41Å; S78-H80 PolarHBondContact O-N 3.24Å; H80-Y82 AromaticContact CE1-CD1 3.91Å; H80-Y82 AromaticContact CE1-CD2 3.33Å; H80-Y82 WeakPolarHBondContact CE1-CD2 3.46Å; H80-Y82 AromaticContact CE1-CE2 3.69Å; H80-Y82 AromaticContact CE1-CG 3.45Å; H80-Y82 VanDerWaalsContact CE1-CG 3.45Å; H80-Y82 WeakPolarHBondContact ND1-CB 3.29Å; H80-Y82 AromaticContact ND1-CD2 3.5Å; H80-Y82 WeakPolarHBondContact ND1-CD2 3.43Å; H80-Y82 AromaticContact ND1-CG 3.32Å; H80-Y82 VanDerWaalsContact ND1-CG 3.32Å; H80-Y82 PolarHBondContact ND1-N 3.38Å; H80-Y82 VanDerWaalsContact ND1-N 3.15Å; H80-Y82 PolarHBondContact O-N 2.88Å; H80-A83 WeakPolarHBondContact O-CB 3.44Å; H80-A83 PolarHBondContact O-N 2.9Å; H80-A83 VanDerWaalsContact O-N 3.1Å
81I96.6Very high90.2Very high0 Ų028.1 Ų28.10%014%0.135CC..Hα-helixtrans-59-29177.8-162.8174.9000113.3Y42 Y61 A83 L84 A85 A114 L117 V118 I590Y42-I81 HydrophobicContact CD1-CB 4.48Å; Y42-I81 HydrophobicContact CE1-CB 3.83Å; Y42-I81 HydrophobicContact CE1-CG2 4.39Å; Y42-I81 HydrophobicContact CE2-CB 4.38Å; Y42-I81 HydrophobicContact CE2-CG2 4.25Å; Y42-I81 WeakPolarHBondContact OH-CG2 3.24Å; Y61-I81 HydrophobicContact CE1-CG2 4.35Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 2.91Å; I81-L84 PolarHBondContact O-N 2.82Å; I81-A85 PolarHBondContact O-N 3.4Å; I81-A85 VanDerWaalsContact O-N 3.1Å; I81-A114 HydrophobicContact CD1-CB 3.82Å; I81-L117 HydrophobicContact CD1-CB 4.25Å; I81-L117 HydrophobicContact CG2-CB 4.42Å; I81-L117 HydrophobicContact CG2-CD1 4.49Å; I81-V118 HydrophobicContact CD1-CG2 3.9Å; I81-V118 HydrophobicContact CG1-CG2 4.03Å; I81-I590 HydrophobicContact CD1-CD1 3.8Å; I81-I590 HydrophobicContact CG1-CD1 3.85Å
82Y96.1Very high90.4Very high9 Ų924.8 Ų24.84%0.03512%0.118CC..Hα-helixtrans-68.2-26.8178.5-65.9-16.5000113.3V66 H80 L84 A85 D86 Y121V66-Y82 HydrophobicContact CG2-CD2 4.25Å; V66-Y82 HydrophobicContact CG2-CE2 3.64Å; H80-Y82 AromaticContact CE1-CD1 3.91Å; H80-Y82 AromaticContact CE1-CD2 3.33Å; H80-Y82 WeakPolarHBondContact CE1-CD2 3.46Å; H80-Y82 AromaticContact CE1-CE2 3.69Å; H80-Y82 AromaticContact CE1-CG 3.45Å; H80-Y82 VanDerWaalsContact CE1-CG 3.45Å; H80-Y82 WeakPolarHBondContact ND1-CB 3.29Å; H80-Y82 AromaticContact ND1-CD2 3.5Å; H80-Y82 WeakPolarHBondContact ND1-CD2 3.43Å; H80-Y82 AromaticContact ND1-CG 3.32Å; H80-Y82 VanDerWaalsContact ND1-CG 3.32Å; H80-Y82 PolarHBondContact ND1-N 3.38Å; H80-Y82 VanDerWaalsContact ND1-N 3.15Å; H80-Y82 PolarHBondContact O-N 2.88Å; Y82-L84 VanDerWaalsContact C-N 3.31Å; Y82-L84 PolarHBondContact O-N 3.34Å; Y82-A85 PolarHBondContact O-N 3.28Å; Y82-D86 VanDerWaalsContact O-CB 3.29Å; Y82-D86 WeakPolarHBondContact O-CB 3.28Å; Y82-D86 PolarHBondContact O-N 3.49Å; Y82-Y121 AromaticContact CD1-CD2 3.49Å; Y82-Y121 HydrophobicContact CD1-CD2 3.49Å; Y82-Y121 VanDerWaalsContact CD1-CD2 3.49Å; Y82-Y121 HydrophobicContact CD1-CE2 4.4Å; Y82-Y121 AromaticContact CD1-CG 3.88Å; Y82-Y121 HydrophobicContact CD1-CG 3.88Å; Y82-Y121 AromaticContact CD2-CD2 3.83Å; Y82-Y121 HydrophobicContact CD2-CD2 3.83Å; Y82-Y121 HydrophobicContact CD2-CE2 4.21Å; Y82-Y121 HydrophobicContact CE1-CD2 4.03Å; Y82-Y121 HydrophobicContact CE1-CG 4.37Å; Y82-Y121 HydrophobicContact CE2-CD2 4.32Å; Y82-Y121 AromaticContact CG-CD2 3.39Å; Y82-Y121 HydrophobicContact CG-CD2 3.39Å; Y82-Y121 AromaticContact CG-CE2 3.88Å; Y82-Y121 HydrophobicContact CG-CE2 3.88Å; Y82-Y121 HydrophobicContact CG-CG 4.2Å
83A94.8Very high90.5Very high4 Ų425 Ų253%0.03312%0.118CC..Hα-helixtrans-63.9-40.2173.700000111.3Y44 Y69 F74 H80 I81 E87Y44-A83 WeakPolarHBondContact OH-CB 3.04Å; Y69-A83 HydrophobicContact CD1-CB 3.99Å; Y69-A83 HydrophobicContact CE1-CB 4.31Å; F74-A83 HydrophobicContact CD2-CB 3.98Å; F74-A83 HydrophobicContact CE2-CB 4.1Å; H80-A83 WeakPolarHBondContact O-CB 3.44Å; H80-A83 PolarHBondContact O-N 2.9Å; H80-A83 VanDerWaalsContact O-N 3.1Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 2.91Å; A83-E87 WeakPolarHBondContact O-CB 3.18Å; A83-E87 PolarHBondContact O-N 3.27Å
84L95.6Very high90.8Very high0 Ų025.1 Ų25.10%012%0.119CC..Hα-helixtrans-68-42.7174.8179.8152.8000111.5V49 F74 I81 Y82 D86 E87 A88 I101 N588 Y589 I590V49-L84 HydrophobicContact CB-CD1 4.27Å; V49-L84 HydrophobicContact CG2-CB 3.83Å; V49-L84 HydrophobicContact CG2-CD1 3.61Å; V49-L84 HydrophobicContact CG2-CG 4.38Å; F74-L84 HydrophobicContact CE2-CB 4.12Å; I81-L84 PolarHBondContact O-N 2.82Å; Y82-L84 VanDerWaalsContact C-N 3.31Å; Y82-L84 PolarHBondContact O-N 3.34Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-D86 PolarHBondContact O-N 2.78Å; L84-E87 PolarHBondContact O-N 3Å; L84-A88 WeakPolarHBondContact O-CB 3.35Å; L84-A88 PolarHBondContact O-N 2.81Å; L84-I101 HydrophobicContact CD2-CD1 3.71Å; L84-I101 HydrophobicContact CD2-CG1 3.92Å; L84-I101 HydrophobicContact CD2-CG2 3.93Å; L84-N588 HydrophobicContact CD1-CB 4.1Å; L84-N588 HydrophobicContact CD2-CB 4Å; L84-N588 HydrophobicContact CG-CB 4.01Å; L84-Y589 WeakPolarHBondContact CD1-O 3.36Å; L84-I590 HydrophobicContact CD1-CG1 3.94Å; L84-I590 HydrophobicContact CD2-CD1 4.23Å; L84-I590 HydrophobicContact CD2-CG1 4.3Å
85A94.3Very high91.1Very high0 Ų028.9 Ų28.90%014%0.137CC..Hα-helixtrans-64.9-36.917700000112.2I81 Y82 Y89 V118 Y121I81-A85 PolarHBondContact O-N 3.4Å; I81-A85 VanDerWaalsContact O-N 3.1Å; Y82-A85 PolarHBondContact O-N 3.28Å; A85-Y89 VanDerWaalsContact O-CB 3.26Å; A85-Y89 WeakPolarHBondContact O-CB 3.47Å; A85-Y89 PolarHBondContact O-N 3.36Å; A85-V118 HydrophobicContact CB-CG1 4.49Å; A85-Y121 HydrophobicContact CB-CD1 3.44Å; A85-Y121 VanDerWaalsContact CB-CD1 3.44Å; A85-Y121 HydrophobicContact CB-CE1 4.09Å; A85-Y121 HydrophobicContact CB-CG 3.86Å
86D93.4Very high91.5Very high1 Ų128 Ų281%0.00514%0.138CC..Hα-helixtrans-65.7-46174.3-16770.1000112R70 N71 R72 Y82 L84 Y89 R90 Y121R70-D86 WeakPolarHBondContact CA-OD1 3.38Å; N71-D86 VanDerWaalsContact CA-OD2 3.3Å; N71-D86 WeakPolarHBondContact CA-OD2 3.18Å; N71-D86 VanDerWaalsContact N-CG 3.3Å; N71-D86 PolarHBondContact N-OD1 2.8Å; N71-D86 PolarHBondContact N-OD2 3.48Å; R72-D86 PolarHBondContact N-OD2 3.42Å; Y82-D86 VanDerWaalsContact O-CB 3.29Å; Y82-D86 WeakPolarHBondContact O-CB 3.28Å; Y82-D86 PolarHBondContact O-N 3.49Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-D86 PolarHBondContact O-N 2.78Å; D86-Y89 PolarHBondContact O-N 3.35Å; D86-R90 WeakPolarHBondContact O-CB 3.5Å; D86-R90 WeakPolarHBondContact O-CG 3.35Å; D86-R90 PolarHBondContact O-N 3.28Å; D86-R90 IonicContact OD2-CZ 3.54Å; D86-R90 IonicContact OD2-NE 2.81Å; D86-R90 PolarHBondContact OD2-NE 2.81Å; D86-R90 IonicContact OD2-NH2 3.16Å; D86-Y121 HydrophobicContact CB-CE1 3.96Å; D86-Y121 WeakPolarHBondContact CB-OH 3.07Å; D86-Y121 PolarHBondContact OD1-OH 3.19Å
87E92Very high91.8Very high58 Ų5830.9 Ų30.927%0.27115%0.15SC..Hα-helixtrans-60.8-47.6177.3-173.861.4-130.500111.2A83 L84 Y89 R90 S91A83-E87 WeakPolarHBondContact O-CB 3.18Å; A83-E87 PolarHBondContact O-N 3.27Å; L84-E87 PolarHBondContact O-N 3Å; E87-Y89 PolarHBondContact O-N 3.38Å; E87-R90 PolarHBondContact O-N 3.33Å; E87-R90 IonicContact OE1-NH1 2.78Å; E87-R90 PolarHBondContact OE1-NH1 3.33Å; E87-R90 IonicContact OE2-CZ 2.86Å; E87-R90 VanDerWaalsContact OE2-CZ 3.25Å; E87-R90 IonicContact OE2-NH1 3.2Å; E87-R90 PolarHBondContact OE2-NH1 3.39Å; E87-R90 IonicContact OE2-NH2 2.77Å; E87-R90 PolarHBondContact OE2-NH2 3.39Å; E87-S91 WeakPolarHBondContact O-CB 3.35Å; E87-S91 PolarHBondContact O-N 2.97Å
88A92.4Very high92Very high0 Ų032.4 Ų32.40%016%0.158CC..Hα-helixtrans-59.7-47.4175.900000111.1L84 R90 S91 L92 Q99 I101 M380L84-A88 WeakPolarHBondContact O-CB 3.35Å; L84-A88 PolarHBondContact O-N 2.81Å; A88-R90 PolarHBondContact O-N 2.62Å; A88-S91 PolarHBondContact O-N 3.15Å; A88-L92 WeakPolarHBondContact O-CB 3.49Å; A88-L92 PolarHBondContact O-N 2.86Å; A88-Q99 HydrophobicContact CB-CB 4.4Å; A88-Q99 HydrophobicContact CB-CG 4.28Å; A88-Q99 VanDerWaalsContact O-CG 3.29Å; A88-Q99 WeakPolarHBondContact O-CG 3.31Å; A88-I101 HydrophobicContact CB-CD1 4.06Å; A88-I101 HydrophobicContact CB-CG1 4.43Å; A88-M380 HydrophobicContact CB-CE 3.66Å
89Y90.6Very high92Very high14 Ų1430.1 Ų30.16%0.05514%0.142CC..Hα-helixtrans-65.7-39.7179.9-176.8-109.6000113A85 D86 E87 L92 R93 V122 V125 C126A85-Y89 VanDerWaalsContact O-CB 3.26Å; A85-Y89 WeakPolarHBondContact O-CB 3.47Å; A85-Y89 PolarHBondContact O-N 3.36Å; D86-Y89 PolarHBondContact O-N 3.35Å; E87-Y89 PolarHBondContact O-N 3.38Å; Y89-L92 HydrophobicContact CD2-CD2 4.5Å; Y89-L92 WeakPolarHBondContact O-CB 3.09Å; Y89-L92 PolarHBondContact O-N 3.27Å; Y89-R93 VanDerWaalsContact O-CB 3.27Å; Y89-R93 WeakPolarHBondContact O-CB 3.49Å; Y89-R93 PolarHBondContact O-N 3.03Å; Y89-V122 HydrophobicContact CD2-CG1 4.16Å; Y89-V122 HydrophobicContact CE2-CG1 4.48Å; Y89-V125 HydrophobicContact CD1-CB 4.47Å; Y89-V125 HydrophobicContact CD1-CG2 3.58Å; Y89-V125 HydrophobicContact CD2-CG2 4.43Å; Y89-V125 HydrophobicContact CE1-CB 4.3Å; Y89-V125 HydrophobicContact CE1-CG2 3.67Å; Y89-V125 HydrophobicContact CG-CG2 3.99Å; Y89-C126 HydrophobicContact CE2-CB 4.3Å; Y89-C126 WeakPolarHBondContact OH-CA 3.46Å
90R89.5Confident91.9Very high34 Ų3429.9 Ų29.913%0.12814%0.14CC..Hα-helixtrans-64.8-43.6174.2-77.4-166.8-76.898.8-4.3111.7R72 D86 E87 A88 L92 R93 D94R72-R90 PolarHBondContact O-NH2 3.44Å; D86-R90 WeakPolarHBondContact O-CB 3.5Å; D86-R90 WeakPolarHBondContact O-CG 3.35Å; D86-R90 PolarHBondContact O-N 3.28Å; D86-R90 IonicContact OD2-CZ 3.54Å; D86-R90 IonicContact OD2-NE 2.81Å; D86-R90 PolarHBondContact OD2-NE 2.81Å; D86-R90 IonicContact OD2-NH2 3.16Å; E87-R90 PolarHBondContact O-N 3.33Å; E87-R90 IonicContact OE1-NH1 2.78Å; E87-R90 PolarHBondContact OE1-NH1 3.33Å; E87-R90 IonicContact OE2-CZ 2.86Å; E87-R90 VanDerWaalsContact OE2-CZ 3.25Å; E87-R90 IonicContact OE2-NH1 3.2Å; E87-R90 PolarHBondContact OE2-NH1 3.39Å; E87-R90 IonicContact OE2-NH2 2.77Å; E87-R90 PolarHBondContact OE2-NH2 3.39Å; A88-R90 PolarHBondContact O-N 2.62Å; R90-L92 VanDerWaalsContact C-N 3.32Å; R90-L92 PolarHBondContact O-N 3.41Å; R90-R93 PolarHBondContact O-N 2.86Å; R90-D94 VanDerWaalsContact O-CB 3.29Å; R90-D94 WeakPolarHBondContact O-CB 3.4Å; R90-D94 PolarHBondContact O-N 3.48Å
91S90.3Very high91.8Very high3 Ų329.6 Ų29.62%0.02114%0.139CC..Hα-helixtrans-61.1-41.7175.7-1720000111.5E87 A88 Q95 D96 Q99E87-S91 WeakPolarHBondContact O-CB 3.35Å; E87-S91 PolarHBondContact O-N 2.97Å; A88-S91 PolarHBondContact O-N 3.15Å; S91-Q95 WeakPolarHBondContact O-CA 3.5Å; S91-Q95 VanDerWaalsContact O-CB 3.31Å; S91-Q95 WeakPolarHBondContact O-CB 3.39Å; S91-Q95 PolarHBondContact O-N 2.98Å; S91-Q95 VanDerWaalsContact O-N 3.08Å; S91-D96 PolarHBondContact O-N 3.24Å; S91-Q99 VanDerWaalsContact CB-NE2 3.29Å; S91-Q99 PolarHBondContact OG-NE2 3.19Å
92L90.6Very high91.6Very high4 Ų429.6 Ų29.62%0.02114%0.139CC..Hα-helixtrans-62.6-44.9173.5-175.477.4000112.7A88 Y89 R90 K97 Q99 F171 K378 V379 M380A88-L92 WeakPolarHBondContact O-CB 3.49Å; A88-L92 PolarHBondContact O-N 2.86Å; Y89-L92 HydrophobicContact CD2-CD2 4.5Å; Y89-L92 WeakPolarHBondContact O-CB 3.09Å; Y89-L92 PolarHBondContact O-N 3.27Å; R90-L92 VanDerWaalsContact C-N 3.32Å; R90-L92 PolarHBondContact O-N 3.41Å; L92-K97 WeakPolarHBondContact CA-O 3.1Å; L92-K97 WeakPolarHBondContact CD1-O 3.38Å; L92-Q99 HydrophobicContact CB-CG 3.93Å; L92-Q99 HydrophobicContact CD1-CG 4.35Å; L92-F171 HydrophobicContact CD2-CD2 3.51Å; L92-F171 HydrophobicContact CD2-CE2 3.84Å; L92-F171 HydrophobicContact CD2-CG 4Å; L92-K378 HydrophobicContact CD1-CB 3.51Å; L92-K378 HydrophobicContact CD1-CD 4.34Å; L92-K378 HydrophobicContact CG-CB 4.25Å; L92-K378 HydrophobicContact CG-CD 4.39Å; L92-K378 VanDerWaalsContact O-CD 3.29Å; L92-K378 WeakPolarHBondContact O-CD 3.28Å; L92-K378 PolarHBondContact O-NZ 2.78Å; L92-V379 WeakPolarHBondContact CD1-O 3.4Å; L92-M380 HydrophobicContact CD2-CB 4.2Å
93R87.3Confident91.5Very high77 Ų7729.2 Ų29.229%0.29114%0.138SC..Hα-helixtrans-75.2-46.5-174.6-173.3-171.668.5-153.2-7.7112.5N71 Y89 R90N71-R93 PolarHBondContact OD1-NH1 3.2Å; N71-R93 PolarHBondContact OD1-NH2 3.37Å; Y89-R93 VanDerWaalsContact O-CB 3.27Å; Y89-R93 WeakPolarHBondContact O-CB 3.49Å; Y89-R93 PolarHBondContact O-N 3.03Å; R90-R93 PolarHBondContact O-N 2.86Å
94D87.4Confident91.3Very high97 Ų9729 Ų2952%0.51914%0.136SC..Hα-helixtrans-98.2-26.4-166.8-56.7-26.6000112.7R90R90-D94 VanDerWaalsContact O-CB 3.29Å; R90-D94 WeakPolarHBondContact O-CB 3.4Å; R90-D94 PolarHBondContact O-N 3.48Å
95Q87.8Confident90.9Very high102 Ų10229.1 Ų29.148%0.47714%0.137SC..SBendtrans-110.6-1-179.8-53.5-179.818.500113.6S91 K97S91-Q95 WeakPolarHBondContact O-CA 3.5Å; S91-Q95 VanDerWaalsContact O-CB 3.31Å; S91-Q95 WeakPolarHBondContact O-CB 3.39Å; S91-Q95 PolarHBondContact O-N 2.98Å; S91-Q95 VanDerWaalsContact O-N 3.08Å; Q95-K97 HydrophobicContact CB-CD 4.2Å; Q95-K97 HydrophobicContact CB-CG 4.1Å; Q95-K97 PolarHBondContact O-N 3.01Å; Q95-K97 VanDerWaalsContact O-N 3.15Å
96D88.3Confident90.3Very high66 Ų6630.8 Ų30.835%0.35315%0.145SC..  trans53.830.6-177-55.4-44000114.5S91 F173 K378S91-D96 PolarHBondContact O-N 3.24Å; D96-F173 HydrophobicContact CB-CE2 4.01Å; D96-F173 WeakPolarHBondContact OD1-CE2 3.43Å; D96-F173 WeakPolarHBondContact OD2-CE2 3.37Å; D96-F173 WeakPolarHBondContact OD2-CZ 3.48Å; D96-K378 HydrophobicContact CB-CD 4.45Å; D96-K378 VanDerWaalsContact OD1-CE 3.25Å; D96-K378 WeakPolarHBondContact OD1-CE 3.38Å; D96-K378 IonicContact OD1-NZ 3.24Å; D96-K378 PolarHBondContact OD1-NZ 2.99Å
97K89Confident89.4Confident102 Ų10232.1 Ų32.144%0.44315%0.154SC..  trans-96129.5-180-71180-177.8167.20110.8L92 Q95 Q99L92-K97 WeakPolarHBondContact CA-O 3.1Å; L92-K97 WeakPolarHBondContact CD1-O 3.38Å; Q95-K97 HydrophobicContact CB-CD 4.2Å; Q95-K97 HydrophobicContact CB-CG 4.1Å; Q95-K97 PolarHBondContact O-N 3.01Å; Q95-K97 VanDerWaalsContact O-N 3.15Å; K97-Q99 PolarHBondContact O-NE2 3.49Å
98D92.1Very high88.7Confident50 Ų5030.8 Ų30.827%0.26716%0.156SC..  trans-61.5140169.3-66.2-25.7000110.4K378 V379 K585 N586D98-K378 WeakPolarHBondContact OD1-CA 3.42Å; D98-V379 CarbonylContact C-O 3.53Å; D98-V379 WeakPolarHBondContact CA-O 3.48Å; D98-V379 HydrophobicContact CB-CB 4.48Å; D98-V379 PolarHBondContact OD1-N 3.01Å; D98-K585 HydrophobicContact CB-CB 4.32Å; D98-K585 HydrophobicContact CB-CD 4.27Å; D98-K585 HydrophobicContact CB-CG 3.78Å; D98-N586 WeakPolarHBondContact O-CB 3.34Å; D98-N586 PolarHBondContact O-N 2.93Å
99Q93.3Very high88.5Confident0 Ų030.8 Ų30.80%016%0.156CC..EExtended strand (participates in β ladder)trans-115.9146.8-176.5-54.1-64.2-51.700110.5A88 S91 L92 K97 V379 M380 G381 N586 N588A88-Q99 HydrophobicContact CB-CB 4.4Å; A88-Q99 HydrophobicContact CB-CG 4.28Å; A88-Q99 VanDerWaalsContact O-CG 3.29Å; A88-Q99 WeakPolarHBondContact O-CG 3.31Å; S91-Q99 VanDerWaalsContact CB-NE2 3.29Å; S91-Q99 PolarHBondContact OG-NE2 3.19Å; L92-Q99 HydrophobicContact CB-CG 3.93Å; L92-Q99 HydrophobicContact CD1-CG 4.35Å; K97-Q99 PolarHBondContact O-NE2 3.49Å; Q99-V379 PolarHBondContact N-O 2.81Å; Q99-M380 HydrophobicContact CB-CG 4.34Å; Q99-G381 PolarHBondContact O-N 3.5Å; Q99-N586 CarbonylContact C-O 3.49Å; Q99-N586 WeakPolarHBondContact CA-O 3.46Å; Q99-N586 PolarHBondContact OE1-ND2 3.22Å; Q99-N588 PolarHBondContact OE1-ND2 2.9Å
100C92.6Very high88.3Confident0 Ų030.8 Ų30.80%016%0.161CC..EExtended strand (participates in β ladder)trans-133.3120.9169.1-177.30000109.6G381 L582 K585 N586 P587 N588C100-G381 CarbonylContact C-O 3.59Å; C100-G381 WeakPolarHBondContact CA-O 3.4Å; C100-L582 HydrophobicContact CB-CD1 3.82Å; C100-L582 WeakPolarHBondContact SG-CD1 3.26Å; C100-K585 HydrophobicContact CB-CB 3.94Å; C100-K585 HydrophobicContact CB-CD 4.04Å; C100-N586 PolarHBondContact N-O 2.81Å; C100-P587 CarbonylContact O-C 3.54Å; C100-P587 VanDerWaalsContact O-CA 3.23Å; C100-P587 WeakPolarHBondContact O-CA 3.25Å; C100-N588 PolarHBondContact O-N 3.34Å
101I94.3Very high88.2Confident0 Ų030 Ų300%016%0.158CC..EExtended strand (participates in β ladder)trans-98.6107.2174.3-63.9170.2000108.1L84 A88 I103 V118 M380 G381 V382 L383 N588 I590L84-I101 HydrophobicContact CD2-CD1 3.71Å; L84-I101 HydrophobicContact CD2-CG1 3.92Å; L84-I101 HydrophobicContact CD2-CG2 3.93Å; A88-I101 HydrophobicContact CB-CD1 4.06Å; A88-I101 HydrophobicContact CB-CG1 4.43Å; I101-I103 HydrophobicContact CG2-CG1 4.26Å; I101-V118 HydrophobicContact CD1-CG1 3.36Å; I101-V118 HydrophobicContact CD1-CG2 4.4Å; I101-M380 HydrophobicContact CD1-CE 3.43Å; I101-M380 VanDerWaalsContact CD1-CE 3.43Å; I101-G381 PolarHBondContact N-O 2.95Å; I101-V382 CarbonylContact O-C 3.48Å; I101-V382 WeakPolarHBondContact O-CA 3.4Å; I101-L383 PolarHBondContact O-N 3.13Å; I101-N588 CarbonylContact C-O 3.57Å; I101-N588 WeakPolarHBondContact CA-O 3.46Å; I101-N588 HydrophobicContact CG1-CB 4Å; I101-I590 HydrophobicContact CG2-CD1 3.69Å; I101-I590 HydrophobicContact CG2-CG1 3.99Å
102L92.5Very high87.9Confident1 Ų131.6 Ų31.61%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-86.4119.7177.4177.662.5000110.5T104 L383 I385 L408 N588 Y589 I590L102-T104 HydrophobicContact CD1-CG2 4.07Å; L102-T104 HydrophobicContact CD2-CG2 4.22Å; L102-T104 HydrophobicContact CG-CG2 3.96Å; L102-L383 HydrophobicContact CD1-CB 3.96Å; L102-L383 HydrophobicContact CD1-CD2 3.65Å; L102-L383 HydrophobicContact CD1-CG 3.65Å; L102-I385 HydrophobicContact CD1-CG2 3.83Å; L102-L408 HydrophobicContact CD1-CD1 4.39Å; L102-L408 HydrophobicContact CD2-CD1 4.43Å; L102-L408 HydrophobicContact CD2-CD2 4.05Å; L102-N588 PolarHBondContact N-O 3.38Å; L102-Y589 HydrophobicContact CB-CD1 3.93Å; L102-Y589 HydrophobicContact CB-CE1 4.18Å; L102-Y589 HydrophobicContact CD2-CD1 3.85Å; L102-Y589 HydrophobicContact CD2-CE1 3.74Å; L102-Y589 HydrophobicContact CG-CD1 4.28Å; L102-Y589 WeakPolarHBondContact O-CA 3.35Å; L102-I590 PolarHBondContact O-N 2.91Å
103I93.1Very high87.7Confident0 Ų036.2 Ų36.20%019%0.189CC..EExtended strand (participates in β ladder)trans-109.3118.5176.9-49-176.1000108.4I101 K111 A114 V382 L383 I385 I590I101-I103 HydrophobicContact CG2-CG1 4.26Å; I103-K111 HydrophobicContact CG2-CB 3.76Å; I103-K111 HydrophobicContact CG2-CD 4.35Å; I103-K111 HydrophobicContact CG2-CG 3.88Å; I103-A114 HydrophobicContact CD1-CB 4.09Å; I103-A114 HydrophobicContact CG2-CB 4.42Å; I103-V382 HydrophobicContact CD1-CG1 3.57Å; I103-V382 HydrophobicContact CG1-CG1 4.09Å; I103-L383 PolarHBondContact N-O 2.93Å; I103-I385 PolarHBondContact O-N 3.48Å; I103-I590 WeakPolarHBondContact CA-O 3.42Å; I103-I590 HydrophobicContact CD1-CD1 4.35Å; I103-I590 HydrophobicContact CG1-CB 4.22Å; I103-I590 HydrophobicContact CG1-CD1 4.24Å; I103-I590 HydrophobicContact CG2-CB 4.39Å; I103-I590 HydrophobicContact CG2-CG2 4.47Å
104T90.5Very high88Confident0 Ų032.7 Ų32.70%018%0.176CC..EExtended strand (participates in β ladder)trans-127.6153.1-179.550.60000110.3L102 I385 I590 R591 C592L102-T104 HydrophobicContact CD1-CG2 4.07Å; L102-T104 HydrophobicContact CD2-CG2 4.22Å; L102-T104 HydrophobicContact CG-CG2 3.96Å; T104-I385 HydrophobicContact CG2-CG2 3.71Å; T104-I590 PolarHBondContact N-O 3.44Å; T104-R591 WeakPolarHBondContact OG1-CD 3.29Å; T104-R591 PolarHBondContact OG1-NH1 3.13Å; T104-C592 PolarHBondContact O-N 2.89Å
105G87.9Confident88Confident2 Ų228.2 Ų28.22%0.02115%0.153CC..EExtended strand (participates in β ladder)trans151.5167.4179.600000112.5K111 G387 C592G105-K111 PolarHBondContact O-NZ 2.66Å; G105-G387 PolarHBondContact O-N 3.06Å; G105-C592 WeakPolarHBondContact CA-O 3.36Å
106E80.8Confident87.9Confident35 Ų3526.5 Ų26.516%0.16414%0.144CC..  trans-62.2161.7176.5-75.8-169177.400112.1G108 A109 K111 Q612 Y615E106-G108 PolarHBondContact O-N 2.7Å; E106-A109 WeakPolarHBondContact O-CB 3.49Å; E106-A109 PolarHBondContact O-N 2.82Å; E106-K111 PolarHBondContact O-NZ 3.49Å; E106-Q612 HydrophobicContact CG-CG 3.96Å; E106-Y615 VanDerWaalsContact OE1-CD2 3.3Å; E106-Y615 WeakPolarHBondContact OE1-CD2 3.41Å; E106-Y615 WeakPolarHBondContact OE1-CE2 3.5Å
107S76.3Confident88.1Confident29 Ų2924.5 Ų24.520%0.20313%0.133CC..THydrogen-bonded Turntrans-64.9131.9176.1-143.90000110.9A109 N157 S160S107-A109 VanDerWaalsContact C-N 3.33Å; S107-N157 VanDerWaalsContact CB-ND2 3.27Å; S107-N157 WeakPolarHBondContact CB-ND2 3.47Å; S107-N157 PolarHBondContact OG-ND2 2.9Å; S107-S160 WeakPolarHBondContact CB-OG 3.36Å; S107-S160 WeakPolarHBondContact OG-CA 3.5Å; S107-S160 WeakPolarHBondContact OG-CB 3.09Å; S107-S160 PolarHBondContact OG-OG 3.23Å
108G76.9Confident88.2Confident30 Ų3019.7 Ų19.731%0.30911%0.112SC..THydrogen-bonded Turntrans81.82.1-175.200000115.7N53 Y55 E106 G110 N157N53-G108 PolarHBondContact ND2-O 2.82Å; Y55-G108 PolarHBondContact OH-O 2.94Å; E106-G108 PolarHBondContact O-N 2.7Å; G108-G110 PolarHBondContact O-N 3.31Å; G108-N157 PolarHBondContact N-ND2 2.86Å
109A86.6Confident87.9Confident0 Ų017.8 Ų17.80%010%0.102CC..SBendtrans-75.1-0.5176.100000114.5E106 S107 C592 K594E106-A109 WeakPolarHBondContact O-CB 3.49Å; E106-A109 PolarHBondContact O-N 2.82Å; S107-A109 VanDerWaalsContact C-N 3.33Å; A109-C592 HydrophobicContact CB-CB 3.8Å; A109-K594 HydrophobicContact CB-CB 4.28Å
110G87.5Confident87.5Confident15 Ų1519.5 Ų19.516%0.15511%0.113CC..SBendtrans95.217.617800000115.7G108 T112 E113 A114G108-G110 PolarHBondContact O-N 3.31Å; G110-T112 PolarHBondContact O-N 3.38Å; G110-E113 PolarHBondContact O-N 3.03Å; G110-A114 PolarHBondContact O-N 3.41Å
111K88.1Confident87.3Confident18 Ų1819.5 Ų19.58%0.07811%0.113CC..Hα-helixtrans-54.9-47.9179-60.8-167.5-66.4-79.40113.3I103 G105 E106 E113 A114 S115 D384 C592I103-K111 HydrophobicContact CG2-CB 3.76Å; I103-K111 HydrophobicContact CG2-CD 4.35Å; I103-K111 HydrophobicContact CG2-CG 3.88Å; G105-K111 PolarHBondContact O-NZ 2.66Å; E106-K111 PolarHBondContact O-NZ 3.49Å; K111-E113 VanDerWaalsContact C-N 3.31Å; K111-E113 PolarHBondContact O-N 3.32Å; K111-A114 WeakPolarHBondContact O-CB 3.28Å; K111-A114 PolarHBondContact O-N 2.85Å; K111-S115 PolarHBondContact O-N 3.44Å; K111-D384 WeakPolarHBondContact CB-OD1 3.44Å; K111-D384 WeakPolarHBondContact CD-OD1 3.42Å; K111-D384 WeakPolarHBondContact CE-OD1 3.25Å; K111-C592 HydrophobicContact CG-CB 3.98Å
112T83.1Confident86.9Confident35 Ų3519.6 Ų19.622%0.21511%0.114CC..Hα-helixtrans-62.5-38.5179.4-45.20000111.8G110 S115 K116G110-T112 PolarHBondContact O-N 3.38Å; T112-S115 PolarHBondContact O-N 3.31Å; T112-K116 VanDerWaalsContact O-CG 3.3Å; T112-K116 WeakPolarHBondContact O-CG 3.06Å; T112-K116 PolarHBondContact O-N 3.41Å
113E87.2Confident86.4Confident102 Ų10219.9 Ų19.948%0.47712%0.117SC..Hα-helixtrans-69-40.8175-68.3-55.7126.900111.7G110 K111 S115 K116 L117G110-E113 PolarHBondContact O-N 3.03Å; K111-E113 VanDerWaalsContact C-N 3.31Å; K111-E113 PolarHBondContact O-N 3.32Å; E113-S115 VanDerWaalsContact C-N 3.33Å; E113-S115 PolarHBondContact O-N 3.06Å; E113-K116 PolarHBondContact O-N 2.96Å; E113-K116 IonicContact OE1-NZ 3.61Å; E113-K116 PolarHBondContact OE1-NZ 2.89Å; E113-L117 WeakPolarHBondContact O-CB 3.02Å; E113-L117 VanDerWaalsContact O-CG 3.25Å; E113-L117 WeakPolarHBondContact O-CG 3.23Å; E113-L117 PolarHBondContact O-N 3.32Å
114A92.2Very high85.9Confident2 Ų223 Ų232%0.01714%0.142CC..Hα-helixtrans-59.1-43.9173.700000111.9I81 I103 G110 K111 L117 V118 I590I81-A114 HydrophobicContact CD1-CB 3.82Å; I103-A114 HydrophobicContact CD1-CB 4.09Å; I103-A114 HydrophobicContact CG2-CB 4.42Å; G110-A114 PolarHBondContact O-N 3.41Å; K111-A114 WeakPolarHBondContact O-CB 3.28Å; K111-A114 PolarHBondContact O-N 2.85Å; A114-L117 PolarHBondContact O-N 3.35Å; A114-V118 WeakPolarHBondContact O-CG2 3.47Å; A114-V118 PolarHBondContact O-N 2.88Å; A114-I590 HydrophobicContact CB-CG2 4.31Å
115S88.6Confident85.7Confident3 Ų323.2 Ų23.22%0.02114%0.143CC..Hα-helixtrans-59.2-47.9174.6-177.80000111.9K111 T112 E113 L117 V118 M119 M167 V382K111-S115 PolarHBondContact O-N 3.44Å; T112-S115 PolarHBondContact O-N 3.31Å; E113-S115 VanDerWaalsContact C-N 3.33Å; E113-S115 PolarHBondContact O-N 3.06Å; S115-L117 VanDerWaalsContact C-N 3.32Å; S115-L117 PolarHBondContact O-N 3.09Å; S115-V118 PolarHBondContact O-N 3.03Å; S115-M119 WeakPolarHBondContact O-CG 3.46Å; S115-M119 PolarHBondContact O-N 2.85Å; S115-M167 WeakPolarHBondContact OG-CE 3.23Å; S115-V382 WeakPolarHBondContact OG-CG1 3.37Å
116K85.5Confident85.2Confident66 Ų6623.3 Ų23.329%0.28714%0.144SC..Hα-helixtrans-59.6-40.2176.8-72.1173.4-174.2168.20112.7T112 E113 S120 L140T112-K116 VanDerWaalsContact O-CG 3.3Å; T112-K116 WeakPolarHBondContact O-CG 3.06Å; T112-K116 PolarHBondContact O-N 3.41Å; E113-K116 PolarHBondContact O-N 2.96Å; E113-K116 IonicContact OE1-NZ 3.61Å; E113-K116 PolarHBondContact OE1-NZ 2.89Å; K116-S120 WeakPolarHBondContact O-CB 3.5Å; K116-S120 PolarHBondContact O-N 3Å; K116-S120 PolarHBondContact O-OG 3.49Å; K116-L140 HydrophobicContact CG-CD2 3.82Å
117L91.7Very high84.2Confident24 Ų2425.2 Ų25.213%0.12617%0.173CC..Hα-helixtrans-68.4-44.8-179.9-73.1169.5000111.9Y61 I81 E113 A114 S115 S120 Y121Y61-L117 HydrophobicContact CD1-CD1 4.04Å; Y61-L117 HydrophobicContact CD1-CD2 3.51Å; Y61-L117 HydrophobicContact CD1-CG 4.38Å; Y61-L117 HydrophobicContact CD2-CD2 4.28Å; Y61-L117 HydrophobicContact CE1-CD1 3.44Å; Y61-L117 VanDerWaalsContact CE1-CD1 3.44Å; Y61-L117 HydrophobicContact CE1-CD2 3.85Å; Y61-L117 HydrophobicContact CE1-CG 4.25Å; Y61-L117 HydrophobicContact CE2-CD1 4.31Å; Y61-L117 HydrophobicContact CG-CD2 3.73Å; I81-L117 HydrophobicContact CD1-CB 4.25Å; I81-L117 HydrophobicContact CG2-CB 4.42Å; I81-L117 HydrophobicContact CG2-CD1 4.49Å; E113-L117 WeakPolarHBondContact O-CB 3.02Å; E113-L117 VanDerWaalsContact O-CG 3.25Å; E113-L117 WeakPolarHBondContact O-CG 3.23Å; E113-L117 PolarHBondContact O-N 3.32Å; A114-L117 PolarHBondContact O-N 3.35Å; S115-L117 VanDerWaalsContact C-N 3.32Å; S115-L117 PolarHBondContact O-N 3.09Å; L117-S120 PolarHBondContact O-N 3.44Å; L117-Y121 WeakPolarHBondContact O-CB 3.25Å; L117-Y121 PolarHBondContact O-N 3.45Å
118V91.6Very high83.6Confident1 Ų129.5 Ų29.51%0.00619%0.188CC..Hα-helixtrans-58.4-51.6174.4167.40000110.3I81 A85 I101 A114 S115 S120 Y121 V122 M380 V382 I590I81-V118 HydrophobicContact CD1-CG2 3.9Å; I81-V118 HydrophobicContact CG1-CG2 4.03Å; A85-V118 HydrophobicContact CB-CG1 4.49Å; I101-V118 HydrophobicContact CD1-CG1 3.36Å; I101-V118 HydrophobicContact CD1-CG2 4.4Å; A114-V118 WeakPolarHBondContact O-CG2 3.47Å; A114-V118 PolarHBondContact O-N 2.88Å; S115-V118 PolarHBondContact O-N 3.03Å; V118-S120 VanDerWaalsContact C-N 3.3Å; V118-S120 PolarHBondContact O-N 3.43Å; V118-Y121 WeakPolarHBondContact O-CB 3.38Å; V118-Y121 PolarHBondContact O-N 3.5Å; V118-V122 WeakPolarHBondContact O-CG2 3.41Å; V118-V122 PolarHBondContact O-N 3.35Å; V118-M380 HydrophobicContact CG1-CE 4.15Å; V118-V382 HydrophobicContact CG1-CG2 4.09Å; V118-I590 HydrophobicContact CG2-CD1 3.86Å
119M85Confident82.6Confident11 Ų1129.7 Ų29.75%0.05419%0.19CC..Hα-helixtrans-62.1-38.3179-69.4-178164.400112.3S115 A123 M167 I169 V382S115-M119 WeakPolarHBondContact O-CG 3.46Å; S115-M119 PolarHBondContact O-N 2.85Å; M119-A123 WeakPolarHBondContact O-CB 2.89Å; M119-A123 PolarHBondContact O-N 3.28Å; M119-M167 HydrophobicContact CE-CB 3.54Å; M119-M167 HydrophobicContact CE-CE 3.44Å; M119-M167 VanDerWaalsContact CE-CE 3.44Å; M119-M167 HydrophobicContact CE-CG 4.29Å; M119-M167 HydrophobicContact CE-SD 3.87Å; M119-M167 HydrophobicContact SD-CE 4.15Å; M119-I169 HydrophobicContact CE-CD1 4.42Å; M119-I169 HydrophobicContact CG-CD1 4.08Å; M119-V382 HydrophobicContact CE-CB 4.22Å; M119-V382 HydrophobicContact CE-CG2 4.07Å; M119-V382 HydrophobicContact CG-CG2 4.4Å
120S84.6Confident81.4Confident35 Ų3538.2 Ų38.225%0.24523%0.23CC..Hα-helixtrans-68.5-36.1177.9-65.70000112.7K116 L117 V118 A124 K136K116-S120 WeakPolarHBondContact O-CB 3.5Å; K116-S120 PolarHBondContact O-N 3Å; K116-S120 PolarHBondContact O-OG 3.49Å; L117-S120 PolarHBondContact O-N 3.44Å; V118-S120 VanDerWaalsContact C-N 3.3Å; V118-S120 PolarHBondContact O-N 3.43Å; S120-A124 WeakPolarHBondContact O-CB 3.49Å; S120-A124 PolarHBondContact O-N 3.4Å; S120-A124 VanDerWaalsContact O-N 3.11Å; S120-K136 WeakPolarHBondContact OG-CE 3.33Å; S120-K136 PolarHBondContact OG-NZ 3.49Å; S120-K136 VanDerWaalsContact OG-NZ 3.13Å
121Y89.8Confident80.2Confident0 Ų043.2 Ų43.20%025%0.249CC..Hα-helixtrans-63.1-52.4173.7-179.3-90.9000110.7V66 R70 Y82 A85 D86 L117 V118 A123 A124 V125V66-Y121 HydrophobicContact CB-CD2 4.43Å; V66-Y121 HydrophobicContact CB-CE2 4.39Å; V66-Y121 HydrophobicContact CG1-CD2 3.91Å; V66-Y121 HydrophobicContact CG1-CE2 3.79Å; V66-Y121 HydrophobicContact CG2-CD2 4.23Å; R70-Y121 VanDerWaalsContact CA-OH 3.32Å; R70-Y121 WeakPolarHBondContact CA-OH 3.13Å; Y82-Y121 AromaticContact CD1-CD2 3.49Å; Y82-Y121 HydrophobicContact CD1-CD2 3.49Å; Y82-Y121 VanDerWaalsContact CD1-CD2 3.49Å; Y82-Y121 HydrophobicContact CD1-CE2 4.4Å; Y82-Y121 AromaticContact CD1-CG 3.88Å; Y82-Y121 HydrophobicContact CD1-CG 3.88Å; Y82-Y121 AromaticContact CD2-CD2 3.83Å; Y82-Y121 HydrophobicContact CD2-CD2 3.83Å; Y82-Y121 HydrophobicContact CD2-CE2 4.21Å; Y82-Y121 HydrophobicContact CE1-CD2 4.03Å; Y82-Y121 HydrophobicContact CE1-CG 4.37Å; Y82-Y121 HydrophobicContact CE2-CD2 4.32Å; Y82-Y121 AromaticContact CG-CD2 3.39Å; Y82-Y121 HydrophobicContact CG-CD2 3.39Å; Y82-Y121 AromaticContact CG-CE2 3.88Å; Y82-Y121 HydrophobicContact CG-CE2 3.88Å; Y82-Y121 HydrophobicContact CG-CG 4.2Å; A85-Y121 HydrophobicContact CB-CD1 3.44Å; A85-Y121 VanDerWaalsContact CB-CD1 3.44Å; A85-Y121 HydrophobicContact CB-CE1 4.09Å; A85-Y121 HydrophobicContact CB-CG 3.86Å; D86-Y121 HydrophobicContact CB-CE1 3.96Å; D86-Y121 WeakPolarHBondContact CB-OH 3.07Å; D86-Y121 PolarHBondContact OD1-OH 3.19Å; L117-Y121 WeakPolarHBondContact O-CB 3.25Å; L117-Y121 PolarHBondContact O-N 3.45Å; V118-Y121 WeakPolarHBondContact O-CB 3.38Å; V118-Y121 PolarHBondContact O-N 3.5Å; Y121-A123 VanDerWaalsContact C-N 3.26Å; Y121-A123 PolarHBondContact O-N 3.39Å; Y121-A124 WeakPolarHBondContact O-CB 3.4Å; Y121-A124 PolarHBondContact O-N 2.88Å; Y121-V125 HydrophobicContact CD1-CG1 4.37Å; Y121-V125 HydrophobicContact CD1-CG2 4.28Å; Y121-V125 HydrophobicContact CE1-CG1 3.88Å; Y121-V125 HydrophobicContact CE1-CG2 4.08Å; Y121-V125 HydrophobicContact CE2-CG1 4.23Å; Y121-V125 WeakPolarHBondContact O-CG2 3.41Å; Y121-V125 PolarHBondContact O-N 2.87Å; Y121-V125 VanDerWaalsContact O-N 3.09Å
122V86.3Confident79.2Confident2 Ų242.7 Ų42.71%0.01225%0.247CC..Hα-helixtrans-55.3-46179176.60000110.3Y89 V118 A124 V125 C126 F171 M380Y89-V122 HydrophobicContact CD2-CG1 4.16Å; Y89-V122 HydrophobicContact CE2-CG1 4.48Å; V118-V122 WeakPolarHBondContact O-CG2 3.41Å; V118-V122 PolarHBondContact O-N 3.35Å; V122-A124 VanDerWaalsContact C-N 3.28Å; V122-A124 PolarHBondContact O-N 3.46Å; V122-V125 WeakPolarHBondContact O-CG2 3.29Å; V122-V125 PolarHBondContact O-N 3.41Å; V122-C126 PolarHBondContact O-N 3.1Å; V122-C126 PolarHBondContact O-SG 3.42Å; V122-F171 HydrophobicContact CG1-CE1 4.29Å; V122-F171 HydrophobicContact CG1-CZ 3.61Å; V122-M380 HydrophobicContact CB-SD 4.43Å; V122-M380 HydrophobicContact CG1-SD 4.11Å; V122-M380 HydrophobicContact CG2-CE 3.37Å; V122-M380 HydrophobicContact CG2-SD 3.42Å; V122-M380 WeakPolarHBondContact CG2-SD 3.23Å
123A80.6Confident78.3Confident8 Ų844.7 Ų44.77%0.06626%0.257CS..Hα-helixtrans-62.1-32177.700000114.3M119 Y121 C126 V132 K136M119-A123 WeakPolarHBondContact O-CB 2.89Å; M119-A123 PolarHBondContact O-N 3.28Å; Y121-A123 VanDerWaalsContact C-N 3.26Å; Y121-A123 PolarHBondContact O-N 3.39Å; A123-C126 VanDerWaalsContact CA-SG 3.59Å; A123-C126 PolarHBondContact O-SG 2.96Å; A123-V132 HydrophobicContact CB-CG1 3.69Å; A123-K136 HydrophobicContact CB-CD 3.93Å
124A83.5Confident77.6Confident64 Ų6446.3 Ų46.353%0.52926%0.263SS..Hα-helixtrans-76.4-30.2177.500000112.7V66 S120 Y121 V122V66-A124 HydrophobicContact CG1-CB 4.01Å; S120-A124 WeakPolarHBondContact O-CB 3.49Å; S120-A124 PolarHBondContact O-N 3.4Å; S120-A124 VanDerWaalsContact O-N 3.11Å; Y121-A124 WeakPolarHBondContact O-CB 3.4Å; Y121-A124 PolarHBondContact O-N 2.88Å; V122-A124 VanDerWaalsContact C-N 3.28Å; V122-A124 PolarHBondContact O-N 3.46Å
125V85.1Confident76.6Confident5 Ų547.1 Ų47.13%0.0327%0.267CS..Hα-helixtrans-93.5-23.9-175.6-61.20000114.4V66 R70 Y89 Y121 V122V66-V125 HydrophobicContact CG1-CG1 3.97Å; R70-V125 HydrophobicContact CG-CG1 4.24Å; R70-V125 PolarHBondContact NH2-O 3.5Å; Y89-V125 HydrophobicContact CD1-CB 4.47Å; Y89-V125 HydrophobicContact CD1-CG2 3.58Å; Y89-V125 HydrophobicContact CD2-CG2 4.43Å; Y89-V125 HydrophobicContact CE1-CB 4.3Å; Y89-V125 HydrophobicContact CE1-CG2 3.67Å; Y89-V125 HydrophobicContact CG-CG2 3.99Å; Y121-V125 HydrophobicContact CD1-CG1 4.37Å; Y121-V125 HydrophobicContact CD1-CG2 4.28Å; Y121-V125 HydrophobicContact CE1-CG1 3.88Å; Y121-V125 HydrophobicContact CE1-CG2 4.08Å; Y121-V125 HydrophobicContact CE2-CG1 4.23Å; Y121-V125 WeakPolarHBondContact O-CG2 3.41Å; Y121-V125 PolarHBondContact O-N 2.87Å; Y121-V125 VanDerWaalsContact O-N 3.09Å; V122-V125 WeakPolarHBondContact O-CG2 3.29Å; V122-V125 PolarHBondContact O-N 3.41Å
126C77.4Confident75.7Confident4 Ų449.4 Ų49.43%0.02728%0.277CS..SBendtrans-75.7127.2174.858.60000111.1Y89 V122 A123 K128 V132Y89-C126 HydrophobicContact CE2-CB 4.3Å; Y89-C126 WeakPolarHBondContact OH-CA 3.46Å; V122-C126 PolarHBondContact O-N 3.1Å; V122-C126 PolarHBondContact O-SG 3.42Å; A123-C126 VanDerWaalsContact CA-SG 3.59Å; A123-C126 PolarHBondContact O-SG 2.96Å; C126-K128 PolarHBondContact O-N 3.21Å; C126-V132 HydrophobicContact CB-CG2 4.44Å; C126-V132 WeakPolarHBondContact SG-CG2 2.94Å
127G61.1Low75.2Confident75 Ų7551.9 Ų51.977%0.77329%0.289SS*.SBendtrans-6811.1-156.900000119.2
128K62.7Low74.4Confident119 Ų11952.6 Ų52.652%0.51729%0.292SS..  trans-142.783179.7-69-166-179.2174.50112.7C126 Q130 V132C126-K128 PolarHBondContact O-N 3.21Å; K128-Q130 VanDerWaalsContact C-N 3.32Å; K128-Q130 PolarHBondContact O-N 3.22Å; K128-Q130 VanDerWaalsContact O-N 3.11Å; K128-V132 VanDerWaalsContact O-CG2 3.24Å; K128-V132 WeakPolarHBondContact O-CG2 3.39Å
129G56.2Low73.6Confident35 Ų3552.7 Ų52.736%0.36129%0.292SS..Hα-helixtrans-59.4-23.7-169.600000117.3N133G129-N133 WeakPolarHBondContact O-CB 3.45Å; G129-N133 PolarHBondContact O-N 3.18Å; G129-N133 PolarHBondContact O-ND2 2.88Å
130Q61.7Low73.2Confident178 Ų17854.5 Ų54.583%0.83230%0.302SS*.Hα-helixtrans-73.7-45.6-175.3-75.9-169.9-19.400113.9K128 K134K128-Q130 VanDerWaalsContact C-N 3.32Å; K128-Q130 PolarHBondContact O-N 3.22Å; K128-Q130 VanDerWaalsContact O-N 3.11Å; Q130-K134 PolarHBondContact O-N 2.91Å; Q130-K134 VanDerWaalsContact O-N 3.14Å
131E63.3Low73.1Confident120 Ų12055.8 Ų55.856%0.56130%0.304SS*.Hα-helixtrans-71.1-40.6179.3-70.4174.7160.700111N133 K134 V135 P177E131-N133 PolarHBondContact O-N 3.25Å; E131-K134 PolarHBondContact O-N 3.2Å; E131-V135 PolarHBondContact O-N 3.15Å; E131-P177 HydrophobicContact CB-CG 4.46Å
132V65Low73Confident7 Ų755.8 Ų55.84%0.04230%0.304CS..Hα-helixtrans-63.8-43.4175.3-162.40000111A123 C126 K128 K134 V135 K136 P177A123-V132 HydrophobicContact CB-CG1 3.69Å; C126-V132 HydrophobicContact CB-CG2 4.44Å; C126-V132 WeakPolarHBondContact SG-CG2 2.94Å; K128-V132 VanDerWaalsContact O-CG2 3.24Å; K128-V132 WeakPolarHBondContact O-CG2 3.39Å; V132-K134 PolarHBondContact O-N 3.06Å; V132-V135 PolarHBondContact O-N 3.26Å; V132-K136 WeakPolarHBondContact O-CB 3.17Å; V132-K136 PolarHBondContact O-N 2.94Å; V132-P177 HydrophobicContact CB-CG 4.08Å; V132-P177 HydrophobicContact CG1-CG 4.49Å; V132-P177 HydrophobicContact CG2-CB 4.25Å; V132-P177 HydrophobicContact CG2-CG 3.39Å
133N66.1Low73Confident77 Ų7756.2 Ų56.241%0.41231%0.306SS..Hα-helixtrans-64.9-31.7179.8-77-29.3000111.5G129 E131 E137G129-N133 WeakPolarHBondContact O-CB 3.45Å; G129-N133 PolarHBondContact O-N 3.18Å; G129-N133 PolarHBondContact O-ND2 2.88Å; E131-N133 PolarHBondContact O-N 3.25Å; N133-E137 WeakPolarHBondContact O-CB 3.47Å; N133-E137 PolarHBondContact O-N 3.11Å
134K71.4Confident73.5Confident137 Ų13757.5 Ų57.560%0.59631%0.314SS*.Hα-helixtrans-65.9-49.9174.4-172.9179.8172-176.70111.8Q130 E131 V132 K136 E137 Q138Q130-K134 PolarHBondContact O-N 2.91Å; Q130-K134 VanDerWaalsContact O-N 3.14Å; E131-K134 PolarHBondContact O-N 3.2Å; V132-K134 PolarHBondContact O-N 3.06Å; K134-K136 VanDerWaalsContact C-N 3.34Å; K134-K136 PolarHBondContact O-N 3.07Å; K134-E137 PolarHBondContact O-N 3.06Å; K134-Q138 WeakPolarHBondContact O-CG 3.49Å; K134-Q138 PolarHBondContact O-N 3.44Å
135V71.8Confident73.9Confident18 Ų1854.5 Ų54.511%0.10929%0.289CS..Hα-helixtrans-63.2-42.6176.7177.90000110.5E131 V132 Q138 L139E131-V135 PolarHBondContact O-N 3.15Å; V132-V135 PolarHBondContact O-N 3.26Å; V135-Q138 PolarHBondContact O-N 3.35Å; V135-L139 HydrophobicContact CG1-CD1 3.87Å; V135-L139 HydrophobicContact CG1-CG 4.36Å; V135-L139 WeakPolarHBondContact O-CB 3.46Å; V135-L139 VanDerWaalsContact O-CG 3.28Å; V135-L139 WeakPolarHBondContact O-CG 3.46Å; V135-L139 PolarHBondContact O-N 3.16Å
136K69.5Low74.2Confident52 Ų5254.4 Ų54.423%0.22629%0.288CS..Hα-helixtrans-59-48.5174.4176.8-172.6176179.40111.5S120 A123 V132 K134 L139 L140S120-K136 WeakPolarHBondContact OG-CE 3.33Å; S120-K136 PolarHBondContact OG-NZ 3.49Å; S120-K136 VanDerWaalsContact OG-NZ 3.13Å; A123-K136 HydrophobicContact CB-CD 3.93Å; V132-K136 WeakPolarHBondContact O-CB 3.17Å; V132-K136 PolarHBondContact O-N 2.94Å; K134-K136 VanDerWaalsContact C-N 3.34Å; K134-K136 PolarHBondContact O-N 3.07Å; K136-L139 PolarHBondContact O-N 2.89Å; K136-L140 HydrophobicContact CD-CD1 4.35Å; K136-L140 HydrophobicContact CG-CD1 3.77Å; K136-L140 HydrophobicContact CG-CG 4.27Å; K136-L140 VanDerWaalsContact O-CB 3.29Å; K136-L140 WeakPolarHBondContact O-CB 3.42Å; K136-L140 WeakPolarHBondContact O-CG 3.35Å; K136-L140 PolarHBondContact O-N 3.39Å
137E73.9Confident74.8Confident118 Ų11856.4 Ų56.455%0.55130%0.297SS*.Hα-helixtrans-64.9-44.3-178.5-170.9166.4-159.200110N133 K134 L139 L140 Q141N133-E137 WeakPolarHBondContact O-CB 3.47Å; N133-E137 PolarHBondContact O-N 3.11Å; K134-E137 PolarHBondContact O-N 3.06Å; E137-L139 PolarHBondContact O-N 3.5Å; E137-L140 PolarHBondContact O-N 2.99Å; E137-Q141 HydrophobicContact CG-CG 4.15Å; E137-Q141 VanDerWaalsContact O-CB 3.28Å; E137-Q141 WeakPolarHBondContact O-CB 3.28Å; E137-Q141 WeakPolarHBondContact O-CG 3.49Å; E137-Q141 PolarHBondContact O-N 3.38Å
138Q75.1Confident76.4Confident38 Ų3852.9 Ų52.918%0.17826%0.261CS..Hα-helixtrans-61.6-44.6174.4-72.1178.7-46.800112.8K134 V135 L140 Q141 S142 I369K134-Q138 WeakPolarHBondContact O-CG 3.49Å; K134-Q138 PolarHBondContact O-N 3.44Å; V135-Q138 PolarHBondContact O-N 3.35Å; Q138-L140 PolarHBondContact O-N 3.15Å; Q138-Q141 PolarHBondContact O-N 3.01Å; Q138-S142 PolarHBondContact O-N 2.96Å; Q138-I369 HydrophobicContact CB-CG2 3.75Å
139L75.3Confident78Confident3 Ų347.3 Ų47.32%0.01624%0.237CC..Hα-helixtrans-61.7-43.4174.8-75.9170.5000111.6V135 K136 E137 S142 N143 I169 I182 I369V135-L139 HydrophobicContact CG1-CD1 3.87Å; V135-L139 HydrophobicContact CG1-CG 4.36Å; V135-L139 WeakPolarHBondContact O-CB 3.46Å; V135-L139 VanDerWaalsContact O-CG 3.28Å; V135-L139 WeakPolarHBondContact O-CG 3.46Å; V135-L139 PolarHBondContact O-N 3.16Å; K136-L139 PolarHBondContact O-N 2.89Å; E137-L139 PolarHBondContact O-N 3.5Å; L139-S142 PolarHBondContact O-N 3.48Å; L139-S142 PolarHBondContact O-OG 3.13Å; L139-N143 PolarHBondContact O-ND2 3.05Å; L139-I169 HydrophobicContact CD1-CG1 4.13Å; L139-I182 HydrophobicContact CD2-CD1 3.91Å; L139-I182 HydrophobicContact CD2-CG1 3.83Å; L139-I369 HydrophobicContact CD2-CD1 3.71Å
140L77.3Confident79.7Confident49 Ų4945.6 Ų45.626%0.25722%0.219SC..Hα-helixtrans-67.2-41.5178.7-74176.1000112.2K116 K136 E137 Q138 S142 N143K116-L140 HydrophobicContact CG-CD2 3.82Å; K136-L140 HydrophobicContact CD-CD1 4.35Å; K136-L140 HydrophobicContact CG-CD1 3.77Å; K136-L140 HydrophobicContact CG-CG 4.27Å; K136-L140 VanDerWaalsContact O-CB 3.29Å; K136-L140 WeakPolarHBondContact O-CB 3.42Å; K136-L140 WeakPolarHBondContact O-CG 3.35Å; K136-L140 PolarHBondContact O-N 3.39Å; E137-L140 PolarHBondContact O-N 2.99Å; Q138-L140 PolarHBondContact O-N 3.15Å; L140-S142 VanDerWaalsContact C-N 3.26Å; L140-S142 PolarHBondContact O-N 3.37Å; L140-N143 WeakPolarHBondContact O-CB 3.42Å; L140-N143 PolarHBondContact O-N 3.36Å; L140-N143 PolarHBondContact O-ND2 3.42Å
141Q82.4Confident81Confident63 Ų6337.3 Ų37.329%0.29418%0.181SC..Hα-helixtrans-71.7-18177.7-64.8-62.7-20.800112.6E137 Q138 N143 P144 A254 I257 V258E137-Q141 HydrophobicContact CG-CG 4.15Å; E137-Q141 VanDerWaalsContact O-CB 3.28Å; E137-Q141 WeakPolarHBondContact O-CB 3.28Å; E137-Q141 WeakPolarHBondContact O-CG 3.49Å; E137-Q141 PolarHBondContact O-N 3.38Å; Q138-Q141 PolarHBondContact O-N 3.01Å; Q141-N143 VanDerWaalsContact C-N 3.31Å; Q141-P144 WeakPolarHBondContact O-CD 3.44Å; Q141-A254 WeakPolarHBondContact O-CB 3.41Å; Q141-I257 HydrophobicContact CB-CG2 4.15Å; Q141-I257 HydrophobicContact CG-CG2 3.97Å; Q141-V258 HydrophobicContact CB-CG2 4.27Å
142S86.7Confident82.2Confident0 Ų031.6 Ų31.60%015%0.154CC..Hα-helixtrans-72.3-23171.578.40000113.4Q138 L139 L140 V145 L146 I182Q138-S142 PolarHBondContact O-N 2.96Å; L139-S142 PolarHBondContact O-N 3.48Å; L139-S142 PolarHBondContact O-OG 3.13Å; L140-S142 VanDerWaalsContact C-N 3.26Å; L140-S142 PolarHBondContact O-N 3.37Å; S142-V145 WeakPolarHBondContact O-CB 3.34Å; S142-V145 PolarHBondContact O-N 2.83Å; S142-L146 PolarHBondContact O-N 3.18Å; S142-L146 VanDerWaalsContact O-N 3.09Å; S142-I182 WeakPolarHBondContact OG-CD1 3.42Å
143N86Confident83.2Confident10 Ų1033.2 Ų33.25%0.05316%0.16CC..Hα-helixtrans-60.5-48-175.3-71-59.6000113.7L139 L140 Q141 V145 L146 E147 K165L139-N143 PolarHBondContact O-ND2 3.05Å; L140-N143 WeakPolarHBondContact O-CB 3.42Å; L140-N143 PolarHBondContact O-N 3.36Å; L140-N143 PolarHBondContact O-ND2 3.42Å; Q141-N143 VanDerWaalsContact C-N 3.31Å; N143-V145 PolarHBondContact O-N 3.41Å; N143-L146 PolarHBondContact O-N 2.89Å; N143-L146 VanDerWaalsContact O-N 3.1Å; N143-E147 WeakPolarHBondContact O-CB 3.49Å; N143-E147 WeakPolarHBondContact O-CG 3.45Å; N143-E147 PolarHBondContact O-N 3.29Å; N143-K165 PolarHBondContact OD1-NZ 3.33Å
144P90.9Very high83.8Confident35 Ų3530.1 Ų30.123%0.22714%0.144CC..Hα-helixtrans-52.6-38176.2-28.134.7000113.7Q141 A148 T250 A254Q141-P144 WeakPolarHBondContact O-CD 3.44Å; P144-A148 WeakPolarHBondContact O-CB 3.49Å; P144-A148 PolarHBondContact O-N 3.22Å; P144-T250 HydrophobicContact CB-CG2 4.34Å; P144-T250 HydrophobicContact CG-CG2 4.49Å; P144-A254 HydrophobicContact CB-CB 4.04Å; P144-A254 HydrophobicContact CG-CB 4.3Å
145V93.3Very high84Confident1 Ų128.7 Ų28.71%0.00615%0.147CC..Hα-helixtrans-67.7-49.7177.4-173.50000110.1S142 N143 E147 A148 F149 A254 M255S142-V145 WeakPolarHBondContact O-CB 3.34Å; S142-V145 PolarHBondContact O-N 2.83Å; N143-V145 PolarHBondContact O-N 3.41Å; V145-E147 VanDerWaalsContact C-N 3.3Å; V145-E147 PolarHBondContact O-N 3.26Å; V145-A148 PolarHBondContact O-N 2.81Å; V145-F149 HydrophobicContact CG1-CD2 4.36Å; V145-F149 HydrophobicContact CG1-CE2 4.43Å; V145-F149 WeakPolarHBondContact O-CD2 3.49Å; V145-F149 PolarHBondContact O-N 2.83Å; V145-A254 HydrophobicContact CG2-CB 3.85Å; V145-M255 HydrophobicContact CB-CG 4.49Å; V145-M255 HydrophobicContact CG1-CG 4.03Å; V145-M255 HydrophobicContact CG2-CG 3.61Å
146L91.5Very high83.7Confident3 Ų333.8 Ų33.82%0.01616%0.164CC..Hα-helixtrans-64.5-35179-62.2177.2000112.6S142 N143 G150 F163 K165 I182 F358 V362 I365S142-L146 PolarHBondContact O-N 3.18Å; S142-L146 VanDerWaalsContact O-N 3.09Å; N143-L146 PolarHBondContact O-N 2.89Å; N143-L146 VanDerWaalsContact O-N 3.1Å; L146-G150 VanDerWaalsContact O-CA 3.31Å; L146-G150 WeakPolarHBondContact O-CA 3.41Å; L146-G150 PolarHBondContact O-N 3.06Å; L146-F163 HydrophobicContact CB-CZ 4.09Å; L146-K165 HydrophobicContact CD1-CD 4.01Å; L146-I182 HydrophobicContact CD1-CD1 4.28Å; L146-I182 HydrophobicContact CD1-CG2 4.09Å; L146-F358 HydrophobicContact CD2-CE2 4.09Å; L146-F358 HydrophobicContact CD2-CZ 4.33Å; L146-V362 HydrophobicContact CD2-CG2 3.75Å; L146-I365 HydrophobicContact CD2-CD1 4.1Å; L146-I365 HydrophobicContact CG-CD1 4.5Å
147E90.1Very high83.8Confident47 Ų4731.9 Ų31.922%0.2216%0.156CC..Hα-helixtrans-68.5-39.6175.4-70.4-173.2-157.100111.5N143 V145 F149 N151 N159N143-E147 WeakPolarHBondContact O-CB 3.49Å; N143-E147 WeakPolarHBondContact O-CG 3.45Å; N143-E147 PolarHBondContact O-N 3.29Å; V145-E147 VanDerWaalsContact C-N 3.3Å; V145-E147 PolarHBondContact O-N 3.26Å; E147-F149 VanDerWaalsContact C-N 3.33Å; E147-F149 PolarHBondContact O-N 3.34Å; E147-N151 WeakPolarHBondContact CG-ND2 3.5Å; E147-N151 WeakPolarHBondContact O-CA 3.2Å; E147-N151 WeakPolarHBondContact O-CB 3.42Å; E147-N151 PolarHBondContact O-N 3.17Å; E147-N159 PolarHBondContact OE2-ND2 3.34Å
148A94.3Very high84Confident1 Ų128.9 Ų28.91%0.00814%0.144CC..Hα-helixtrans-60.5-42.7177.200000112.3P144 V145 H203 I204 V251P144-A148 WeakPolarHBondContact O-CB 3.49Å; P144-A148 PolarHBondContact O-N 3.22Å; V145-A148 PolarHBondContact O-N 2.81Å; A148-H203 PolarHBondContact O-N 3.12Å; A148-I204 HydrophobicContact CB-CB 4.29Å; A148-I204 HydrophobicContact CB-CD1 4.36Å; A148-I204 WeakPolarHBondContact O-CB 3.4Å; A148-I204 PolarHBondContact O-N 3.15Å; A148-V251 HydrophobicContact CB-CG1 4.12Å; A148-V251 HydrophobicContact CB-CG2 3.64Å
149F95.6Very high84.2Confident1 Ų129.8 Ų29.80%0.00415%0.15CC..Hα-helixtrans-92.1-20.7-176.6-73.3-99.3000114.4V145 E147 F202 I204 V268 V272 Y354 L357 F358 L361V145-F149 HydrophobicContact CG1-CD2 4.36Å; V145-F149 HydrophobicContact CG1-CE2 4.43Å; V145-F149 WeakPolarHBondContact O-CD2 3.49Å; V145-F149 PolarHBondContact O-N 2.83Å; E147-F149 VanDerWaalsContact C-N 3.33Å; E147-F149 PolarHBondContact O-N 3.34Å; F149-F202 VanDerWaalsContact O-CD1 3.23Å; F149-F202 WeakPolarHBondContact O-CD1 3.33Å; F149-F202 WeakPolarHBondContact O-CG 3.41Å; F149-I204 HydrophobicContact CD1-CB 4.49Å; F149-I204 HydrophobicContact CD1-CG1 4.43Å; F149-I204 HydrophobicContact CD1-CG2 4.04Å; F149-I204 HydrophobicContact CD2-CB 4.4Å; F149-I204 HydrophobicContact CD2-CG1 4.32Å; F149-I204 HydrophobicContact CE1-CG1 3.97Å; F149-I204 HydrophobicContact CE1-CG2 4.26Å; F149-I204 HydrophobicContact CE2-CB 4.42Å; F149-I204 HydrophobicContact CE2-CD1 3.84Å; F149-I204 HydrophobicContact CE2-CG1 3.85Å; F149-I204 HydrophobicContact CG-CB 4.44Å; F149-I204 HydrophobicContact CG-CG2 4.31Å; F149-I204 HydrophobicContact CZ-CB 4.47Å; F149-I204 HydrophobicContact CZ-CD1 3.98Å; F149-I204 HydrophobicContact CZ-CG1 3.65Å; F149-V268 HydrophobicContact CE1-CG1 4.05Å; F149-V268 HydrophobicContact CZ-CG1 3.56Å; F149-V272 HydrophobicContact CE1-CG2 3.62Å; F149-V272 HydrophobicContact CZ-CG2 4.12Å; F149-Y354 VanDerWaalsContact C-OH 3.3Å; F149-Y354 VanDerWaalsContact CA-OH 3.25Å; F149-Y354 WeakPolarHBondContact CA-OH 3.46Å; F149-Y354 HydrophobicContact CD1-CE2 4.24Å; F149-Y354 WeakPolarHBondContact O-CE1 3.37Å; F149-Y354 PolarHBondContact O-OH 3.39Å; F149-L357 HydrophobicContact CE1-CD2 4.19Å; F149-F358 HydrophobicContact CB-CD2 3.53Å; F149-F358 HydrophobicContact CB-CE2 3.82Å; F149-L361 HydrophobicContact CD1-CD1 3.69Å; F149-L361 HydrophobicContact CD2-CD1 3.81Å; F149-L361 HydrophobicContact CE1-CD1 3.67Å; F149-L361 HydrophobicContact CE2-CD1 3.8Å; F149-L361 HydrophobicContact CG-CD1 3.75Å; F149-L361 HydrophobicContact CZ-CD1 3.73Å
150G91.6Very high84.5Confident0 Ų029.9 Ų29.90%015%0.151CC..Hα-helixtrans-116.2-10-172.800000114.9L146 R162 F163L146-G150 VanDerWaalsContact O-CA 3.31Å; L146-G150 WeakPolarHBondContact O-CA 3.41Å; L146-G150 PolarHBondContact O-N 3.06Å; G150-R162 PolarHBondContact O-N 2.61Å; G150-F163 WeakPolarHBondContact O-CD1 3.37Å
151N90.2Very high84.8Confident4 Ų429 Ų292%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-108.6152177.5-59.810.7000112.3E147 N159 S160 S161 F202 H203E147-N151 WeakPolarHBondContact CG-ND2 3.5Å; E147-N151 WeakPolarHBondContact O-CA 3.2Å; E147-N151 WeakPolarHBondContact O-CB 3.42Å; E147-N151 PolarHBondContact O-N 3.17Å; N151-N159 WeakPolarHBondContact CB-OD1 3.45Å; N151-N159 PolarHBondContact ND2-OD1 3.48Å; N151-S160 WeakPolarHBondContact CA-O 3.43Å; N151-S160 WeakPolarHBondContact CB-O 3.42Å; N151-S161 PolarHBondContact ND2-OG 3.22Å; N151-S161 WeakPolarHBondContact OD1-CA 3.25Å; N151-S161 WeakPolarHBondContact OD1-CB 3.27Å; N151-S161 PolarHBondContact OD1-OG 2.95Å; N151-F202 WeakPolarHBondContact O-CA 3.48Å; N151-H203 PolarHBondContact O-CD2 3.2Å; N151-H203 PolarHBondContact O-N 3.37Å; N151-H203 VanDerWaalsContact O-N 3.13Å
152A89.1Confident85Confident0 Ų026.4 Ų26.40%014%0.137CC..EExtended strand (participates in β ladder)trans-143.9161.7176.200000111S160 R162 R191 N201A152-S160 PolarHBondContact N-O 2.82Å; A152-S160 WeakPolarHBondContact O-CB 3.39Å; A152-S160 PolarHBondContact O-N 2.9Å; A152-R162 HydrophobicContact CB-CG 4.4Å; A152-R191 VanDerWaalsContact CB-CD 3.48Å; A152-N201 WeakPolarHBondContact CB-O 3.24Å
153K85.9Confident85Confident40 Ų4026.8 Ų26.817%0.17414%0.138CC..  trans-83122.2170.8-179.4-113.6-179.6176.90109.8D158 G198 E199 R200 V239K153-D158 WeakPolarHBondContact CA-O 3.49Å; K153-D158 WeakPolarHBondContact CB-O 3.46Å; K153-G198 PolarHBondContact NZ-O 2.98Å; K153-E199 WeakPolarHBondContact O-CA 3.43Å; K153-E199 WeakPolarHBondContact O-CB 3.39Å; K153-R200 HydrophobicContact CB-CB 3.99Å; K153-R200 HydrophobicContact CB-CG 4.03Å; K153-R200 HydrophobicContact CD-CG 4.15Å; K153-R200 PolarHBondContact O-N 3.24Å; K153-V239 HydrophobicContact CB-CG2 4.3Å; K153-V239 HydrophobicContact CD-CG2 3.81Å; K153-V239 HydrophobicContact CG-CG2 3.85Å
154T78.8Confident84.9Confident12 Ų1226.4 Ų26.47%0.07414%0.136CC..  trans-102.7177.6171.166.80000110.3R156 N157 E199T154-R156 PolarHBondContact O-N 3.3Å; T154-R156 PolarHBondContact OG1-N 2.96Å; T154-N157 PolarHBondContact N-O 3.12Å; T154-N157 PolarHBondContact OG1-N 3.45Å; T154-N157 PolarHBondContact OG1-O 3.38Å; T154-E199 WeakPolarHBondContact CA-OE1 3.41Å; T154-E199 VanDerWaalsContact CB-OE1 3.25Å; T154-E199 WeakPolarHBondContact CB-OE1 3.46Å
155V73.8Confident84.7Confident108 Ų10825.3 Ų25.366%0.65513%0.128SC*.SBendtrans-60.8-30.8175.4-176.60000112E199V155-E199 HydrophobicContact CG2-CG 3.91Å; V155-E199 PolarHBondContact N-OE1 2.96Å
156R66.3Low84.4Confident125 Ų12525.4 Ų25.447%0.47213%0.128SC..SBendtrans-103.3-18.6-173.2-62.4-174-178.61774114.7T154T154-R156 PolarHBondContact O-N 3.3Å; T154-R156 PolarHBondContact OG1-N 2.96Å
157N72.1Confident84.2Confident11 Ų1125.4 Ų25.46%0.05913%0.128CC..  trans-146.4130.7179.4-176.214.1000112.3S107 G108 T154 N159S107-N157 VanDerWaalsContact CB-ND2 3.27Å; S107-N157 WeakPolarHBondContact CB-ND2 3.47Å; S107-N157 PolarHBondContact OG-ND2 2.9Å; G108-N157 PolarHBondContact N-ND2 2.86Å; T154-N157 PolarHBondContact N-O 3.12Å; T154-N157 PolarHBondContact OG1-N 3.45Å; T154-N157 PolarHBondContact OG1-O 3.38Å; N157-N159 VanDerWaalsContact C-N 3.32Å; N157-N159 PolarHBondContact ND2-O 3.29Å; N157-N159 PolarHBondContact O-N 3.21Å; N157-N159 PolarHBondContact OD1-N 3.25Å; N157-N159 VanDerWaalsContact OD1-N 3.11Å
158D78.1Confident84.1Confident55 Ų5523.9 Ų23.929%0.29412%0.122SC..SBendtrans-68.3-26.1178.1-52.3-47.3000114K153 H203 V239 K599K153-D158 WeakPolarHBondContact CA-O 3.49Å; K153-D158 WeakPolarHBondContact CB-O 3.46Å; D158-H203 PolarHBondContact O-CE1 3.42Å; D158-V239 HydrophobicContact CB-CG1 4.09Å; D158-K599 IonicContact OD2-NZ 2.68Å; D158-K599 PolarHBondContact OD2-NZ 2.88Å
159N79.5Confident83.7Confident58 Ų5824.6 Ų24.631%0.3113%0.125SC..SBendtrans-135.978.4179.8-169.317.9000110.7E147 N151 N157 H203E147-N159 PolarHBondContact OE2-ND2 3.34Å; N151-N159 WeakPolarHBondContact CB-OD1 3.45Å; N151-N159 PolarHBondContact ND2-OD1 3.48Å; N157-N159 VanDerWaalsContact C-N 3.32Å; N157-N159 PolarHBondContact ND2-O 3.29Å; N157-N159 PolarHBondContact O-N 3.21Å; N157-N159 PolarHBondContact OD1-N 3.25Å; N157-N159 VanDerWaalsContact OD1-N 3.11Å; N159-H203 PolarHBondContact OD1-NE2 3.33Å
160S80.1Confident83.3Confident4 Ų425.5 Ų25.53%0.02813%0.129CC..EExtended strand (participates in β ladder)trans-100.8123.7-178.4-169.80000112S107 N151 A152 R162S107-S160 WeakPolarHBondContact CB-OG 3.36Å; S107-S160 WeakPolarHBondContact OG-CA 3.5Å; S107-S160 WeakPolarHBondContact OG-CB 3.09Å; S107-S160 PolarHBondContact OG-OG 3.23Å; N151-S160 WeakPolarHBondContact CA-O 3.43Å; N151-S160 WeakPolarHBondContact CB-O 3.42Å; A152-S160 PolarHBondContact N-O 2.82Å; A152-S160 WeakPolarHBondContact O-CB 3.39Å; A152-S160 PolarHBondContact O-N 2.9Å; S160-R162 PolarHBondContact O-N 3.44Å
161S84.8Confident83Confident30 Ų3025.5 Ų25.521%0.2113%0.129CC..EExtended strand (participates in β ladder)trans-66.3127.8169.7-580000110.9N151N151-S161 PolarHBondContact ND2-OG 3.22Å; N151-S161 WeakPolarHBondContact OD1-CA 3.25Å; N151-S161 WeakPolarHBondContact OD1-CB 3.27Å; N151-S161 PolarHBondContact OD1-OG 2.95Å
162R85.4Confident82.7Confident10 Ų1026.7 Ų26.74%0.03814%0.136CC..  trans-11433.1178.7-53.5-57-67.2173.2-4.1111.6G150 A152 S160 E188 F202 E389G150-R162 PolarHBondContact O-N 2.61Å; A152-R162 HydrophobicContact CB-CG 4.4Å; S160-R162 PolarHBondContact O-N 3.44Å; R162-E188 HydrophobicContact CB-CB 3.9Å; R162-E188 WeakPolarHBondContact CB-OE2 3.25Å; R162-E188 VanDerWaalsContact CG-OE2 3.31Å; R162-E188 WeakPolarHBondContact CG-OE2 3.4Å; R162-E188 IonicContact CZ-OE1 2.83Å; R162-E188 IonicContact CZ-OE2 2.66Å; R162-E188 IonicContact NE-OE1 3.15Å; R162-E188 IonicContact NE-OE2 3.49Å; R162-E188 PolarHBondContact NE-OE2 3.47Å; R162-E188 IonicContact NH2-OE1 2.73Å; R162-E188 PolarHBondContact NH2-OE1 2.87Å; R162-E188 IonicContact NH2-OE2 3.2Å; R162-E188 PolarHBondContact NH2-OE2 2.97Å; R162-E188 PolarHBondContact O-N 3.17Å; R162-F202 HydrophobicContact CB-CE1 4.18Å; R162-E389 IonicContact CZ-OE1 3.52Å; R162-E389 IonicContact NH1-OE1 2.81Å; R162-E389 PolarHBondContact NH1-OE1 3.16Å; R162-E389 IonicContact NH1-OE2 3.85Å
163F86.7Confident82.4Confident8 Ų832.3 Ų32.34%0.03516%0.16CC..SBendtrans-153156172.873.4-73.3000108.9L146 G150 K165 N184 Y185 L187 F358L146-F163 HydrophobicContact CB-CZ 4.09Å; G150-F163 WeakPolarHBondContact O-CD1 3.37Å; F163-K165 HydrophobicContact CD2-CB 4.36Å; F163-K165 HydrophobicContact CE2-CB 3.68Å; F163-K165 HydrophobicContact CE2-CD 4.44Å; F163-K165 HydrophobicContact CE2-CG 4.1Å; F163-K165 HydrophobicContact CZ-CB 4.2Å; F163-K165 HydrophobicContact CZ-CD 4.39Å; F163-N184 HydrophobicContact CD2-CB 4.14Å; F163-Y185 CarbonylContact C-O 3.57Å; F163-L187 HydrophobicContact CB-CB 4.32Å; F163-L187 HydrophobicContact CB-CD1 3.98Å; F163-F358 HydrophobicContact CB-CE1 4.42Å; F163-F358 HydrophobicContact CD1-CZ 4.08Å; F163-F358 AromaticContact CD2-CE1 3.84Å; F163-F358 HydrophobicContact CD2-CE1 3.84Å; F163-F358 AromaticContact CD2-CZ 3.77Å; F163-F358 HydrophobicContact CD2-CZ 3.77Å; F163-F358 HydrophobicContact CE1-CZ 4.05Å; F163-F358 HydrophobicContact CE2-CE1 4.22Å; F163-F358 AromaticContact CE2-CZ 3.72Å; F163-F358 HydrophobicContact CE2-CZ 3.72Å; F163-F358 HydrophobicContact CG-CE1 4.02Å; F163-F358 AromaticContact CG-CZ 3.97Å; F163-F358 HydrophobicContact CG-CZ 3.97Å; F163-F358 AromaticContact CZ-CZ 3.88Å; F163-F358 HydrophobicContact CZ-CZ 3.88Å
164G84.1Confident81.8Confident1 Ų138.8 Ų38.81%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-83.5131.3168.500000110.5N184 Y185G164-N184 WeakPolarHBondContact O-CA 3.35Å; G164-Y185 PolarHBondContact N-O 2.84Å; G164-Y185 PolarHBondContact O-N 2.47Å
165K86.5Confident81.4Confident13 Ų1338.5 Ų38.56%0.05719%0.188CC..EExtended strand (participates in β ladder)trans-114.6115.1-179.3-174.7178.866.4-1790109.5N143 L146 F163 M167 D384N143-K165 PolarHBondContact OD1-NZ 3.33Å; L146-K165 HydrophobicContact CD1-CD 4.01Å; F163-K165 HydrophobicContact CD2-CB 4.36Å; F163-K165 HydrophobicContact CE2-CB 3.68Å; F163-K165 HydrophobicContact CE2-CD 4.44Å; F163-K165 HydrophobicContact CE2-CG 4.1Å; F163-K165 HydrophobicContact CZ-CB 4.2Å; F163-K165 HydrophobicContact CZ-CD 4.39Å; K165-M167 HydrophobicContact CD-CE 4.46Å; K165-M167 HydrophobicContact CD-CG 4.35Å; K165-M167 HydrophobicContact CD-SD 4.04Å; K165-M167 HydrophobicContact CG-CG 4.06Å; K165-M167 HydrophobicContact CG-SD 4.41Å; K165-D384 PolarHBondContact N-O 2.96Å; K165-D384 PolarHBondContact O-N 3.39Å
166Y87.8Confident81.4Confident3 Ų335.5 Ų35.51%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-108.2129173.5-172.4-120.5000109.6D168 I182 S183 Y185 V382 L383 N581 K585Y166-D168 WeakPolarHBondContact CE1-OD1 3.39Å; Y166-D168 WeakPolarHBondContact CE1-OD2 3.48Å; Y166-D168 PolarHBondContact OH-OD1 2.85Å; Y166-I182 CarbonylContact O-C 3.4Å; Y166-I182 WeakPolarHBondContact O-CA 3.31Å; Y166-S183 PolarHBondContact N-O 3.46Å; Y166-S183 PolarHBondContact O-N 3.44Å; Y166-Y185 HydrophobicContact CD1-CE2 4.49Å; Y166-Y185 HydrophobicContact CG-CE2 4.33Å; Y166-V382 WeakPolarHBondContact CA-O 3.46Å; Y166-L383 HydrophobicContact CD2-CB 3.65Å; Y166-L383 HydrophobicContact CD2-CD1 3.9Å; Y166-L383 HydrophobicContact CD2-CG 4.24Å; Y166-L383 HydrophobicContact CE2-CB 4.12Å; Y166-L383 HydrophobicContact CG-CD1 4.31Å; Y166-N581 WeakPolarHBondContact CE1-ND2 3.35Å; Y166-K585 WeakPolarHBondContact OH-CD 3.2Å; Y166-K585 VanDerWaalsContact OH-CE 3.26Å; Y166-K585 WeakPolarHBondContact OH-CE 3.37Å
167M87.5Confident81.9Confident2 Ų230 Ų301%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-127.4112.4-178.6-61.2-178.3-69.700109.6S115 M119 K165 I182 G381 V382S115-M167 WeakPolarHBondContact OG-CE 3.23Å; M119-M167 HydrophobicContact CE-CB 3.54Å; M119-M167 HydrophobicContact CE-CE 3.44Å; M119-M167 VanDerWaalsContact CE-CE 3.44Å; M119-M167 HydrophobicContact CE-CG 4.29Å; M119-M167 HydrophobicContact CE-SD 3.87Å; M119-M167 HydrophobicContact SD-CE 4.15Å; K165-M167 HydrophobicContact CD-CE 4.46Å; K165-M167 HydrophobicContact CD-CG 4.35Å; K165-M167 HydrophobicContact CD-SD 4.04Å; K165-M167 HydrophobicContact CG-CG 4.06Å; K165-M167 HydrophobicContact CG-SD 4.41Å; M167-I182 HydrophobicContact CG-CG1 4.3Å; M167-G381 CarbonylContact O-C 3.5Å; M167-G381 VanDerWaalsContact O-CA 3.32Å; M167-G381 WeakPolarHBondContact O-CA 3.46Å; M167-V382 PolarHBondContact N-O 2.98Å; M167-V382 PolarHBondContact O-N 2.97Å
168D87.1Confident82.2Confident16 Ų1632.1 Ų32.19%0.08616%0.16CC..EExtended strand (participates in β ladder)trans-91.5133.7173.7-74.2-32.6000110.5Y166 G180 V181 V379 G381Y166-D168 WeakPolarHBondContact CE1-OD1 3.39Å; Y166-D168 WeakPolarHBondContact CE1-OD2 3.48Å; Y166-D168 PolarHBondContact OH-OD1 2.85Å; D168-G180 CarbonylContact O-C 3.48Å; D168-G180 WeakPolarHBondContact O-CA 3.49Å; D168-V181 HydrophobicContact CB-CB 4.3Å; D168-V181 PolarHBondContact N-O 3.24Å; D168-V181 PolarHBondContact O-N 3.06Å; D168-V379 HydrophobicContact CB-CG1 3.66Å; D168-V379 WeakPolarHBondContact OD1-CG1 3.47Å; D168-G381 WeakPolarHBondContact OD1-CA 3.33Å
169I86.1Confident82.5Confident16 Ų1629.5 Ų29.58%0.08215%0.146CC..EExtended strand (participates in β ladder)trans-106.3118.8162-54.5175.8000106.7M119 L139 F171 M380M119-I169 HydrophobicContact CE-CD1 4.42Å; M119-I169 HydrophobicContact CG-CD1 4.08Å; L139-I169 HydrophobicContact CD1-CG1 4.13Å; I169-F171 HydrophobicContact CB-CE2 3.8Å; I169-F171 HydrophobicContact CB-CZ 4.18Å; I169-F171 HydrophobicContact CG2-CD2 4.3Å; I169-F171 HydrophobicContact CG2-CE1 4.3Å; I169-F171 HydrophobicContact CG2-CE2 3.49Å; I169-F171 VanDerWaalsContact CG2-CE2 3.49Å; I169-F171 HydrophobicContact CG2-CZ 3.49Å; I169-F171 VanDerWaalsContact CG2-CZ 3.49Å; I169-F171 WeakPolarHBondContact O-CD2 3.26Å; I169-F171 WeakPolarHBondContact O-CE2 3.18Å; I169-M380 PolarHBondContact N-O 2.88Å; I169-M380 PolarHBondContact O-N 2.79Å
170E87.4Confident82.7Confident19 Ų1926.8 Ų26.89%0.08913%0.131CC..EExtended strand (participates in β ladder)trans-89.6133.6-179.1-63.6175.8166.100109.3P177 L178 G179 V181 A371 K378 V379E170-P177 CarbonylContact O-C 3.43Å; E170-P177 WeakPolarHBondContact O-CA 3.44Å; E170-L178 HydrophobicContact CB-CB 4.4Å; E170-L178 PolarHBondContact O-N 2.99Å; E170-G179 PolarHBondContact N-O 2.71Å; E170-V181 WeakPolarHBondContact OE1-CG2 3.25Å; E170-A371 WeakPolarHBondContact OE2-CB 3.09Å; E170-K378 CarbonylContact C-O 3.59Å; E170-V379 HydrophobicContact CG-CG2 4.43Å
171F85.6Confident83.1Confident1 Ų128 Ų280%0.00414%0.138CC..EExtended strand (participates in β ladder)trans-122149.6177.5-63-91.7000110.2L92 V122 I169 D176 P177 H377 K378 M380L92-F171 HydrophobicContact CD2-CD2 3.51Å; L92-F171 HydrophobicContact CD2-CE2 3.84Å; L92-F171 HydrophobicContact CD2-CG 4Å; V122-F171 HydrophobicContact CG1-CE1 4.29Å; V122-F171 HydrophobicContact CG1-CZ 3.61Å; I169-F171 HydrophobicContact CB-CE2 3.8Å; I169-F171 HydrophobicContact CB-CZ 4.18Å; I169-F171 HydrophobicContact CG2-CD2 4.3Å; I169-F171 HydrophobicContact CG2-CE1 4.3Å; I169-F171 HydrophobicContact CG2-CE2 3.49Å; I169-F171 VanDerWaalsContact CG2-CE2 3.49Å; I169-F171 HydrophobicContact CG2-CZ 3.49Å; I169-F171 VanDerWaalsContact CG2-CZ 3.49Å; I169-F171 WeakPolarHBondContact O-CD2 3.26Å; I169-F171 WeakPolarHBondContact O-CE2 3.18Å; F171-D176 CarbonylContact C-O 3.54Å; F171-D176 WeakPolarHBondContact CA-O 3.3Å; F171-P177 HydrophobicContact CD1-CB 4.38Å; F171-P177 HydrophobicContact CE1-CB 4.31Å; F171-H377 CarbonylContact O-C 3.59Å; F171-H377 WeakPolarHBondContact O-CA 3.37Å; F171-H377 WeakPolarHBondContact O-CB 3.25Å; F171-K378 PolarHBondContact N-O 3.48Å; F171-K378 PolarHBondContact O-N 2.89Å; F171-M380 HydrophobicContact CD2-CB 4.46Å; F171-M380 HydrophobicContact CE2-CB 3.79Å
172D84.4Confident83.3Confident29 Ų2926.6 Ų26.616%0.15513%0.129CC..  trans-74.3177.716985.3-13.5000111.2K174 G175 D176 L178 K378D172-K174 PolarHBondContact O-N 2.9Å; D172-K174 VanDerWaalsContact OD1-C 3.3Å; D172-K174 VanDerWaalsContact OD1-CA 3.28Å; D172-K174 WeakPolarHBondContact OD1-CA 3.47Å; D172-K174 WeakPolarHBondContact OD1-CB 3.38Å; D172-K174 PolarHBondContact OD1-N 2.94Å; D172-G175 PolarHBondContact O-N 3.37Å; D172-G175 VanDerWaalsContact O-N 3.17Å; D172-G175 PolarHBondContact OD1-N 3.31Å; D172-D176 PolarHBondContact N-O 3.08Å; D172-D176 PolarHBondContact OD1-N 3.02Å; D172-L178 HydrophobicContact CB-CD1 3.89Å; D172-L178 HydrophobicContact CB-CD2 4.02Å; D172-L178 HydrophobicContact CB-CG 3.98Å; D172-K378 WeakPolarHBondContact O-CE 3.17Å
173F81.6Confident83.5Confident117 Ų11727.6 Ų27.651%0.51314%0.137SC..THydrogen-bonded Turntrans-65.1-23.7178.6-164.6-98.9000113.4D96 G175 K378D96-F173 HydrophobicContact CB-CE2 4.01Å; D96-F173 WeakPolarHBondContact OD1-CE2 3.43Å; D96-F173 WeakPolarHBondContact OD2-CE2 3.37Å; D96-F173 WeakPolarHBondContact OD2-CZ 3.48Å; F173-G175 VanDerWaalsContact C-N 3.34Å; F173-K378 WeakPolarHBondContact O-CE 3.1Å; F173-K378 PolarHBondContact O-NZ 3.34Å
174K74.3Confident83.6Confident177 Ų17728.9 Ų28.977%0.7715%0.145SC*.THydrogen-bonded Turntrans-83-12.7179-58175.5-178.7174.30112.4D172D172-K174 PolarHBondContact O-N 2.9Å; D172-K174 VanDerWaalsContact OD1-C 3.3Å; D172-K174 VanDerWaalsContact OD1-CA 3.28Å; D172-K174 WeakPolarHBondContact OD1-CA 3.47Å; D172-K174 WeakPolarHBondContact OD1-CB 3.38Å; D172-K174 PolarHBondContact OD1-N 2.94Å
175G70.4Confident83.6Confident6 Ų630.1 Ų30.16%0.06215%0.149CC..SBendtrans93.814.4-178.200000114.4D172 F173D172-G175 PolarHBondContact O-N 3.37Å; D172-G175 VanDerWaalsContact O-N 3.17Å; D172-G175 PolarHBondContact OD1-N 3.31Å; F173-G175 VanDerWaalsContact C-N 3.34Å
176D72.7Confident83.3Confident44 Ų4430 Ų3024%0.23515%0.149CC..  trans-83136.6173.2-68.5-34.1000109.9F171 D172F171-D176 CarbonylContact C-O 3.54Å; F171-D176 WeakPolarHBondContact CA-O 3.3Å; D172-D176 PolarHBondContact N-O 3.08Å; D172-D176 PolarHBondContact OD1-N 3.02Å
177P77.1Confident83.3Confident10 Ų1030.3 Ų30.37%0.06515%0.151CC..EExtended strand (participates in β ladder)trans-68.2139.4178.135.4-42.7000111.3E131 V132 E170 F171E131-P177 HydrophobicContact CB-CG 4.46Å; V132-P177 HydrophobicContact CB-CG 4.08Å; V132-P177 HydrophobicContact CG1-CG 4.49Å; V132-P177 HydrophobicContact CG2-CB 4.25Å; V132-P177 HydrophobicContact CG2-CG 3.39Å; E170-P177 CarbonylContact O-C 3.43Å; E170-P177 WeakPolarHBondContact O-CA 3.44Å; F171-P177 HydrophobicContact CD1-CB 4.38Å; F171-P177 HydrophobicContact CE1-CB 4.31Å
178L79.6Confident83.2Confident55 Ų5531.2 Ų31.229%0.28816%0.155SC..EExtended strand (participates in β ladder)trans-106.8-32.8176.4-66.1174.4000112.5E170 D172 A371 H377E170-L178 HydrophobicContact CB-CB 4.4Å; E170-L178 PolarHBondContact O-N 2.99Å; D172-L178 HydrophobicContact CB-CD1 3.89Å; D172-L178 HydrophobicContact CB-CD2 4.02Å; D172-L178 HydrophobicContact CB-CG 3.98Å; L178-A371 HydrophobicContact CB-CB 3.73Å; L178-H377 HydrophobicContact CD1-CB 3.84Å
179G82.8Confident83.2Confident1 Ų131.7 Ų31.71%0.0116%0.156CC..EExtended strand (participates in β ladder)trans167.5-159.1-172.700000111.6E170 I369E170-G179 PolarHBondContact N-O 2.71Å; G179-I369 CarbonylContact C-O 3.05Å; G179-I369 WeakPolarHBondContact CA-O 3.36Å
180G85.1Confident83.1Confident0 Ų032.1 Ų32.10%016%0.161CC..EExtended strand (participates in β ladder)trans-156.9168.7173.600000113.2D168 I369D168-G180 CarbonylContact O-C 3.48Å; D168-G180 WeakPolarHBondContact O-CA 3.49Å; G180-I369 PolarHBondContact N-O 3.24Å; G180-I369 VanDerWaalsContact O-CD1 3.3Å; G180-I369 WeakPolarHBondContact O-CD1 3.34Å; G180-I369 VanDerWaalsContact O-CG1 3.25Å; G180-I369 WeakPolarHBondContact O-CG1 3.42Å
181V88.1Confident83.2Confident29 Ų2931.5 Ų31.518%0.17616%0.157CC..EExtended strand (participates in β ladder)trans-138.6130.4178179.80000109.3D168 E170D168-V181 HydrophobicContact CB-CB 4.3Å; D168-V181 PolarHBondContact N-O 3.24Å; D168-V181 PolarHBondContact O-N 3.06Å; E170-V181 WeakPolarHBondContact OE1-CG2 3.25Å
182I89.7Confident83.5Confident2 Ų231.4 Ų31.41%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-101.2128172-57.4170.7000108L139 S142 L146 Y166 M167 V362 I365 N366 I369L139-I182 HydrophobicContact CD2-CD1 3.91Å; L139-I182 HydrophobicContact CD2-CG1 3.83Å; S142-I182 WeakPolarHBondContact OG-CD1 3.42Å; L146-I182 HydrophobicContact CD1-CD1 4.28Å; L146-I182 HydrophobicContact CD1-CG2 4.09Å; Y166-I182 CarbonylContact O-C 3.4Å; Y166-I182 WeakPolarHBondContact O-CA 3.31Å; M167-I182 HydrophobicContact CG-CG1 4.3Å; I182-V362 HydrophobicContact CB-CG1 4.23Å; I182-V362 HydrophobicContact CG2-CG1 4.09Å; I182-V362 WeakPolarHBondContact O-CG1 3.34Å; I182-I365 HydrophobicContact CD1-CG2 3.82Å; I182-N366 WeakPolarHBondContact CB-OD1 3.47Å; I182-N366 PolarHBondContact N-OD1 2.86Å; I182-N366 PolarHBondContact O-ND2 3.03Å; I182-N366 PolarHBondContact O-OD1 3.45Å; I182-I369 HydrophobicContact CD1-CD1 4.22Å; I182-I369 HydrophobicContact CG1-CD1 4.04Å
183S88.6Confident83.8Confident30 Ų3030.8 Ų30.821%0.2115%0.154CC..EExtended strand (participates in β ladder)trans-119130.1172-58.80000109.7Y166Y166-S183 PolarHBondContact N-O 3.46Å; Y166-S183 PolarHBondContact O-N 3.44Å
184N88.9Confident83.9Confident36 Ų3633 Ų3319%0.19316%0.164CC..EExtended strand (participates in β ladder)trans-99.9136175.260.7-44.1000110.5F163 G164 F358 S359 V362F163-N184 HydrophobicContact CD2-CB 4.14Å; G164-N184 WeakPolarHBondContact O-CA 3.35Å; N184-F358 HydrophobicContact CB-CD1 4.44Å; N184-F358 HydrophobicContact CB-CE1 3.79Å; N184-F358 VanDerWaalsContact ND2-CD1 3.34Å; N184-F358 WeakPolarHBondContact ND2-CD1 3.36Å; N184-S359 PolarHBondContact ND2-OG 3.06Å; N184-S359 VanDerWaalsContact ND2-OG 3.16Å; N184-V362 HydrophobicContact CB-CG2 4.1Å
185Y84.1Confident84.5Confident26 Ų2626.1 Ų26.110%0.10213%0.134CC..EExtended strand (participates in β ladder)trans-128.5148.8179-61.5-84000109.8F163 G164 Y166 L187 L578F163-Y185 CarbonylContact C-O 3.57Å; G164-Y185 PolarHBondContact N-O 2.84Å; G164-Y185 PolarHBondContact O-N 2.47Å; Y166-Y185 HydrophobicContact CD1-CE2 4.49Å; Y166-Y185 HydrophobicContact CG-CE2 4.33Å; Y185-L187 PolarHBondContact O-N 3.2Å; Y185-L578 HydrophobicContact CD1-CB 4.25Å; Y185-L578 HydrophobicContact CD2-CD1 3.99Å; Y185-L578 HydrophobicContact CE1-CB 4.27Å; Y185-L578 HydrophobicContact CE1-CD1 4.41Å; Y185-L578 HydrophobicContact CE2-CD1 3.84Å; Y185-L578 HydrophobicContact CG-CD1 4.32Å
186L80.9Confident84.9Confident11 Ų1129.4 Ų29.46%0.05816%0.155CC..  trans54.445.4163.5-44.3170.9000115.1E188 Y386 C404 F571 V575L186-E188 PolarHBondContact O-N 2.86Å; L186-Y386 HydrophobicContact CB-CE1 4.21Å; L186-Y386 WeakPolarHBondContact CB-OH 3.32Å; L186-Y386 WeakPolarHBondContact CD1-OH 3.42Å; L186-C404 HydrophobicContact CD1-CB 4.11Å; L186-C404 VanDerWaalsContact CD1-SG 3.54Å; L186-F571 HydrophobicContact CB-CD1 4.31Å; L186-F571 HydrophobicContact CB-CE1 4.3Å; L186-F571 HydrophobicContact CD2-CB 4.48Å; L186-F571 HydrophobicContact CD2-CD1 3.63Å; L186-F571 HydrophobicContact CD2-CE1 4.43Å; L186-V575 HydrophobicContact CD1-CG2 4Å; L186-V575 HydrophobicContact CD2-CG2 3.78Å
187L87.6Confident85.3Confident10 Ų1037.9 Ų37.95%0.05218%0.183CC..  trans-63129.2173.2-179.270.9000110.5F163 Y185 K189 F202 Y354 F358F163-L187 HydrophobicContact CB-CB 4.32Å; F163-L187 HydrophobicContact CB-CD1 3.98Å; Y185-L187 PolarHBondContact O-N 3.2Å; L187-K189 VanDerWaalsContact C-N 3.28Å; L187-K189 PolarHBondContact O-N 2.98Å; L187-F202 HydrophobicContact CD1-CE1 4.16Å; L187-F202 HydrophobicContact CD1-CZ 3.95Å; L187-Y354 HydrophobicContact CD2-CD1 4.36Å; L187-Y354 HydrophobicContact CD2-CE1 4.5Å; L187-F358 HydrophobicContact CD1-CD1 4.1Å; L187-F358 HydrophobicContact CD1-CE1 4.09Å; L187-F358 HydrophobicContact CD2-CB 4.13Å; L187-F358 HydrophobicContact CD2-CD1 3.81Å; L187-F358 HydrophobicContact CD2-CG 4.19Å; L187-F358 HydrophobicContact CG-CD1 4.38Å
188E85.4Confident85.4Confident20 Ų2038.8 Ų38.89%0.09319%0.194CC..  trans-72.476.3176.5-170.6-171.9-151.100111.6R162 L186 S190 R191 E397R162-E188 HydrophobicContact CB-CB 3.9Å; R162-E188 WeakPolarHBondContact CB-OE2 3.25Å; R162-E188 VanDerWaalsContact CG-OE2 3.31Å; R162-E188 WeakPolarHBondContact CG-OE2 3.4Å; R162-E188 IonicContact CZ-OE1 2.83Å; R162-E188 IonicContact CZ-OE2 2.66Å; R162-E188 IonicContact NE-OE1 3.15Å; R162-E188 IonicContact NE-OE2 3.49Å; R162-E188 PolarHBondContact NE-OE2 3.47Å; R162-E188 IonicContact NH2-OE1 2.73Å; R162-E188 PolarHBondContact NH2-OE1 2.87Å; R162-E188 IonicContact NH2-OE2 3.2Å; R162-E188 PolarHBondContact NH2-OE2 2.97Å; R162-E188 PolarHBondContact O-N 3.17Å; L186-E188 PolarHBondContact O-N 2.86Å; E188-S190 PolarHBondContact O-N 2.86Å; E188-R191 HydrophobicContact CG-CB 4.25Å; E188-R191 WeakPolarHBondContact O-CB 3.42Å; E188-R191 PolarHBondContact O-N 2.87Å; E188-R191 IonicContact OE1-NE 3.32Å; E188-R191 IonicContact OE1-NH2 3.05Å; E188-R191 PolarHBondContact OE1-NH2 2.67Å; E188-R191 IonicContact OE2-CZ 2.78Å; E188-R191 IonicContact OE2-NE 2.69Å; E188-R191 PolarHBondContact OE2-NE 2.88Å; E188-R191 IonicContact OE2-NH2 2.73Å; E188-R191 PolarHBondContact OE2-NH2 3.08Å; E188-E397 HydrophobicContact CG-CG 4.24Å
189K87.1Confident85.7Confident26 Ų2636.9 Ų36.911%0.11318%0.184CC..G310 helixtrans-60-32.5-177-50.8-173.3-164.7168.80113.2L187 R191 V192 K351 N352 S355 D529L187-K189 VanDerWaalsContact C-N 3.28Å; L187-K189 PolarHBondContact O-N 2.98Å; K189-R191 PolarHBondContact O-N 2.89Å; K189-V192 WeakPolarHBondContact O-CB 3.41Å; K189-V192 WeakPolarHBondContact O-CG2 3.43Å; K189-V192 PolarHBondContact O-N 3.43Å; K189-V192 VanDerWaalsContact O-N 3.11Å; K189-K351 HydrophobicContact CB-CB 4.12Å; K189-K351 HydrophobicContact CB-CG 4.41Å; K189-K351 WeakPolarHBondContact O-CG 3.45Å; K189-N352 PolarHBondContact NZ-OD1 3.16Å; K189-S355 WeakPolarHBondContact CE-OG 3.48Å; K189-D529 IonicContact NZ-OD2 2.88Å; K189-D529 PolarHBondContact NZ-OD2 2.7Å
190S84.1Confident86.1Confident25 Ų2536.8 Ų36.818%0.17518%0.183CC..G310 helixtrans-57.1-32.9-177.554.40000112.6E188 V192 V193 K194 E397E188-S190 PolarHBondContact O-N 2.86Å; S190-V192 PolarHBondContact O-N 3.32Å; S190-V193 PolarHBondContact O-N 3.17Å; S190-K194 PolarHBondContact O-N 2.84Å; S190-E397 PolarHBondContact OG-OE1 3.2Å
191R88.6Confident86.5Confident6 Ų636.8 Ų36.82%0.02318%0.183CC..G310 helixtrans-59.9-26.4178.7-176.4170.5-63.6-80.9-9.8114A152 E188 K189 V193 K194 Q195 E199 R200 N201 F202A152-R191 VanDerWaalsContact CB-CD 3.48Å; E188-R191 HydrophobicContact CG-CB 4.25Å; E188-R191 WeakPolarHBondContact O-CB 3.42Å; E188-R191 PolarHBondContact O-N 2.87Å; E188-R191 IonicContact OE1-NE 3.32Å; E188-R191 IonicContact OE1-NH2 3.05Å; E188-R191 PolarHBondContact OE1-NH2 2.67Å; E188-R191 IonicContact OE2-CZ 2.78Å; E188-R191 IonicContact OE2-NE 2.69Å; E188-R191 PolarHBondContact OE2-NE 2.88Å; E188-R191 IonicContact OE2-NH2 2.73Å; E188-R191 PolarHBondContact OE2-NH2 3.08Å; K189-R191 PolarHBondContact O-N 2.89Å; R191-V193 VanDerWaalsContact C-N 3.26Å; R191-V193 PolarHBondContact O-N 2.87Å; R191-K194 WeakPolarHBondContact CA-O 3.47Å; R191-Q195 HydrophobicContact CG-CG 4.25Å; R191-Q195 PolarHBondContact O-NE2 2.95Å; R191-E199 IonicContact CZ-OE2 3.44Å; R191-E199 VanDerWaalsContact CZ-OE2 3.25Å; R191-E199 IonicContact NH1-OE2 3.5Å; R191-E199 PolarHBondContact NH1-OE2 3.18Å; R191-E199 IonicContact NH2-OE2 3.63Å; R191-E199 PolarHBondContact NH2-OE2 3.49Å; R191-R200 PolarHBondContact NH1-O 2.87Å; R191-N201 PolarHBondContact O-OD1 2.89Å; R191-F202 HydrophobicContact CB-CE2 4.14Å; R191-F202 HydrophobicContact CB-CZ 4.31Å; R191-F202 HydrophobicContact CG-CE2 4.36Å
192V92.4Very high86.8Confident0 Ų035.4 Ų35.40%018%0.175CC..G310 helixtrans-59.7-39.4-179.8178.10000111.2K189 S190 N201 F202 V275 Y354K189-V192 WeakPolarHBondContact O-CB 3.41Å; K189-V192 WeakPolarHBondContact O-CG2 3.43Å; K189-V192 PolarHBondContact O-N 3.43Å; K189-V192 VanDerWaalsContact O-N 3.11Å; S190-V192 PolarHBondContact O-N 3.32Å; V192-N201 PolarHBondContact O-ND2 2.98Å; V192-F202 HydrophobicContact CG2-CD2 4.13Å; V192-F202 HydrophobicContact CG2-CE2 3.75Å; V192-V275 HydrophobicContact CG1-CG1 3.55Å; V192-Y354 HydrophobicContact CG1-CG 4.44Å; V192-Y354 HydrophobicContact CG2-CD1 3.56Å; V192-Y354 HydrophobicContact CG2-CE1 4.2Å; V192-Y354 HydrophobicContact CG2-CG 3.77Å
193V90.4Very high87.1Confident16 Ų1635.6 Ų35.610%0.09718%0.176CC..THydrogen-bonded Turntrans-105.2-23.4-171.1-53.90000113.7S190 R191 Y231 D347 A350 K351S190-V193 PolarHBondContact O-N 3.17Å; R191-V193 VanDerWaalsContact C-N 3.26Å; R191-V193 PolarHBondContact O-N 2.87Å; V193-Y231 HydrophobicContact CB-CD1 4.18Å; V193-Y231 HydrophobicContact CB-CE1 3.65Å; V193-Y231 HydrophobicContact CG1-CE1 3.97Å; V193-Y231 HydrophobicContact CG1-CE2 4.12Å; V193-Y231 WeakPolarHBondContact O-CD1 3.31Å; V193-D347 HydrophobicContact CB-CB 4.31Å; V193-D347 HydrophobicContact CG1-CB 3.98Å; V193-D347 HydrophobicContact CG2-CB 4.26Å; V193-A350 HydrophobicContact CG1-CB 4.04Å; V193-K351 HydrophobicContact CG1-CD 4.48Å; V193-K351 HydrophobicContact CG1-CG 3.73Å; V193-K351 HydrophobicContact CG2-CD 4.36Å; V193-K351 HydrophobicContact CG2-CG 4.4Å
194K85.1Confident87.5Confident164 Ų16434.2 Ų34.271%0.71317%0.166SC*.  trans-148.5134.7-177.9-170.2172.9-178.3178.80110.3S190 R191S190-K194 PolarHBondContact O-N 2.84Å; R191-K194 WeakPolarHBondContact CA-O 3.47Å
195Q84.9Confident87.8Confident32 Ų3232.6 Ų32.615%0.1516%0.157CC..  trans-124.3145.3177.6-50.482.730.200110.9R191 N201 Y231R191-Q195 HydrophobicContact CG-CG 4.25Å; R191-Q195 PolarHBondContact O-NE2 2.95Å; Q195-N201 HydrophobicContact CG-CB 4.19Å; Q195-N201 PolarHBondContact NE2-ND2 3.38Å; Q195-Y231 PolarHBondContact NE2-O 3.18Å; Q195-Y231 PolarHBondContact OE1-O 3.48Å
196P79.4Confident88.3Confident75 Ų7531.3 Ų31.349%0.48715%0.152SC..  trans-62.9154.3168.5-19.732.2000112G198 E199P196-G198 PolarHBondContact O-N 3.02Å; P196-E199 HydrophobicContact CB-CG 4.12Å; P196-E199 HydrophobicContact CG-CG 4.43Å; P196-E199 WeakPolarHBondContact O-CB 3.47Å; P196-E199 PolarHBondContact O-N 3.21Å; P196-E199 VanDerWaalsContact O-N 3.13Å
197R80.4Confident89Confident222 Ų22231.3 Ų31.384%0.83815%0.152SC*.THydrogen-bonded Turntrans-60.4134.3177.9-170.1178.8-177.6-170.50.4110.7E199R197-E199 VanDerWaalsContact C-N 3.27Å; R197-E199 PolarHBondContact O-N 3.32Å
198G80.9Confident89.4Confident28 Ų2830.9 Ų30.929%0.28915%0.149SC..THydrogen-bonded Turntrans83.6-5.1-177.900000114.7K153 P196 S236K153-G198 PolarHBondContact NZ-O 2.98Å; P196-G198 PolarHBondContact O-N 3.02Å; G198-S236 VanDerWaalsContact C-OG 3.29Å; G198-S236 WeakPolarHBondContact CA-OG 3.48Å
199E85.8Confident89.8Confident15 Ų1529.9 Ų29.97%0.0715%0.145CC..  trans-99.5166.3172.9-55.3-155.7152.500112.1K153 T154 V155 R191 P196 R197 S236K153-E199 WeakPolarHBondContact O-CA 3.43Å; K153-E199 WeakPolarHBondContact O-CB 3.39Å; T154-E199 WeakPolarHBondContact CA-OE1 3.41Å; T154-E199 VanDerWaalsContact CB-OE1 3.25Å; T154-E199 WeakPolarHBondContact CB-OE1 3.46Å; V155-E199 HydrophobicContact CG2-CG 3.91Å; V155-E199 PolarHBondContact N-OE1 2.96Å; R191-E199 IonicContact CZ-OE2 3.44Å; R191-E199 VanDerWaalsContact CZ-OE2 3.25Å; R191-E199 IonicContact NH1-OE2 3.5Å; R191-E199 PolarHBondContact NH1-OE2 3.18Å; R191-E199 IonicContact NH2-OE2 3.63Å; R191-E199 PolarHBondContact NH2-OE2 3.49Å; P196-E199 HydrophobicContact CB-CG 4.12Å; P196-E199 HydrophobicContact CG-CG 4.43Å; P196-E199 WeakPolarHBondContact O-CB 3.47Å; P196-E199 PolarHBondContact O-N 3.21Å; P196-E199 VanDerWaalsContact O-N 3.13Å; R197-E199 VanDerWaalsContact C-N 3.27Å; R197-E199 PolarHBondContact O-N 3.32Å; E199-S236 WeakPolarHBondContact O-CB 3.38Å; E199-S236 PolarHBondContact O-OG 3.36Å
200R90.4Very high90.1Very high0 Ų030.5 Ų30.50%015%0.153CC..  trans-109.5162.9172.3-74.9-172.6172.3-175.1-2.9111.6K153 R191 Y206 S236 A237 V239 D244K153-R200 HydrophobicContact CB-CB 3.99Å; K153-R200 HydrophobicContact CB-CG 4.03Å; K153-R200 HydrophobicContact CD-CG 4.15Å; K153-R200 PolarHBondContact O-N 3.24Å; R191-R200 PolarHBondContact NH1-O 2.87Å; R200-Y206 WeakPolarHBondContact CA-OH 3.38Å; R200-Y206 HydrophobicContact CB-CE2 3.68Å; R200-Y206 HydrophobicContact CG-CE1 4.3Å; R200-Y206 HydrophobicContact CG-CE2 4.01Å; R200-S236 WeakPolarHBondContact CG-O 3.31Å; R200-S236 PolarHBondContact NE-O 2.97Å; R200-A237 PolarHBondContact NH2-O 2.96Å; R200-V239 VanDerWaalsContact NE-CG2 3.31Å; R200-D244 IonicContact CZ-OD2 3.78Å; R200-D244 IonicContact NH1-OD1 3.57Å; R200-D244 IonicContact NH1-OD2 2.87Å; R200-D244 PolarHBondContact NH1-OD2 2.98Å; R200-D244 IonicContact NH2-OD2 3.19Å; R200-D244 PolarHBondContact NH2-OD2 3.47Å; R200-D244 VanDerWaalsContact NH2-OD2 3.15Å
201N93.3Very high90.6Very high0 Ų030.4 Ų30.40%016%0.155CC..  trans-70.6-175.8159-152.1-25.5000110.1A152 R191 V192 Q195 F205 Y206 Y231 L232A152-N201 WeakPolarHBondContact CB-O 3.24Å; R191-N201 PolarHBondContact O-OD1 2.89Å; V192-N201 PolarHBondContact O-ND2 2.98Å; Q195-N201 HydrophobicContact CG-CB 4.19Å; Q195-N201 PolarHBondContact NE2-ND2 3.38Å; N201-F205 HydrophobicContact CB-CD2 4.19Å; N201-Y206 HydrophobicContact CB-CE2 3.96Å; N201-Y206 PolarHBondContact N-OH 3.03Å; N201-Y231 PolarHBondContact ND2-O 3.22Å; N201-L232 HydrophobicContact CB-CD2 3.92Å
202F95.3Very high90.8Very high0 Ų030.3 Ų30.30%016%0.156CC..BIsolated β-bridgetrans-60.4145.6176.2-65-74000112.3F149 N151 R162 L187 R191 V192 I204 F205 Y206 Y354F149-F202 VanDerWaalsContact O-CD1 3.23Å; F149-F202 WeakPolarHBondContact O-CD1 3.33Å; F149-F202 WeakPolarHBondContact O-CG 3.41Å; N151-F202 WeakPolarHBondContact O-CA 3.48Å; R162-F202 HydrophobicContact CB-CE1 4.18Å; L187-F202 HydrophobicContact CD1-CE1 4.16Å; L187-F202 HydrophobicContact CD1-CZ 3.95Å; R191-F202 HydrophobicContact CB-CE2 4.14Å; R191-F202 HydrophobicContact CB-CZ 4.31Å; R191-F202 HydrophobicContact CG-CE2 4.36Å; V192-F202 HydrophobicContact CG2-CD2 4.13Å; V192-F202 HydrophobicContact CG2-CE2 3.75Å; F202-I204 HydrophobicContact CB-CG2 4.37Å; F202-I204 PolarHBondContact O-N 3.39Å; F202-F205 HydrophobicContact CB-CD2 4.25Å; F202-F205 HydrophobicContact CB-CE2 4.29Å; F202-F205 HydrophobicContact CD2-CE2 4.48Å; F202-F205 PolarHBondContact O-N 3.05Å; F202-Y206 WeakPolarHBondContact O-CD2 3.34Å; F202-Y354 WeakPolarHBondContact CB-OH 3.21Å; F202-Y354 HydrophobicContact CD2-CD1 4.36Å; F202-Y354 AromaticContact CD2-CE1 3.51Å; F202-Y354 HydrophobicContact CD2-CE1 3.51Å; F202-Y354 AromaticContact CD2-CZ 3.64Å; F202-Y354 HydrophobicContact CE2-CD1 4.3Å; F202-Y354 AromaticContact CE2-CE1 3.69Å; F202-Y354 HydrophobicContact CE2-CE1 3.69Å; F202-Y354 HydrophobicContact CG-CE1 4.09Å; F202-Y354 AromaticContact CG-CZ 3.94Å; F202-Y354 WeakPolarHBondContact CG-OH 3.43Å; F202-Y354 HydrophobicContact CZ-CE1 4.38Å
203H94.8Very high90.9Very high6 Ų633.2 Ų33.23%0.02818%0.176CC..Hα-helixtrans-59-33.4-171.7-62.2-44.8000113.6A148 N151 D158 N159 F205 Y206 Q207A148-H203 PolarHBondContact O-N 3.12Å; N151-H203 PolarHBondContact O-CD2 3.2Å; N151-H203 PolarHBondContact O-N 3.37Å; N151-H203 VanDerWaalsContact O-N 3.13Å; D158-H203 PolarHBondContact O-CE1 3.42Å; N159-H203 PolarHBondContact OD1-NE2 3.33Å; H203-F205 PolarHBondContact O-N 3.49Å; H203-F205 VanDerWaalsContact O-N 3.14Å; H203-Y206 PolarHBondContact O-N 3.42Å; H203-Q207 HydrophobicContact CB-CG 4.47Å; H203-Q207 WeakPolarHBondContact O-CB 3.24Å; H203-Q207 VanDerWaalsContact O-CG 3.24Å; H203-Q207 WeakPolarHBondContact O-CG 3.41Å; H203-Q207 PolarHBondContact O-N 3.41Å
204I96.8Very high91Very high1 Ų136.9 Ų36.91%0.00520%0.195CC..Hα-helixtrans-55.3-34.3-177.3-172.661.8000113.1A148 F149 F202 L208 V272 Y354A148-I204 HydrophobicContact CB-CB 4.29Å; A148-I204 HydrophobicContact CB-CD1 4.36Å; A148-I204 WeakPolarHBondContact O-CB 3.4Å; A148-I204 PolarHBondContact O-N 3.15Å; F149-I204 HydrophobicContact CD1-CB 4.49Å; F149-I204 HydrophobicContact CD1-CG1 4.43Å; F149-I204 HydrophobicContact CD1-CG2 4.04Å; F149-I204 HydrophobicContact CD2-CB 4.4Å; F149-I204 HydrophobicContact CD2-CG1 4.32Å; F149-I204 HydrophobicContact CE1-CG1 3.97Å; F149-I204 HydrophobicContact CE1-CG2 4.26Å; F149-I204 HydrophobicContact CE2-CB 4.42Å; F149-I204 HydrophobicContact CE2-CD1 3.84Å; F149-I204 HydrophobicContact CE2-CG1 3.85Å; F149-I204 HydrophobicContact CG-CB 4.44Å; F149-I204 HydrophobicContact CG-CG2 4.31Å; F149-I204 HydrophobicContact CZ-CB 4.47Å; F149-I204 HydrophobicContact CZ-CD1 3.98Å; F149-I204 HydrophobicContact CZ-CG1 3.65Å; F202-I204 HydrophobicContact CB-CG2 4.37Å; F202-I204 PolarHBondContact O-N 3.39Å; I204-L208 WeakPolarHBondContact O-CB 3.44Å; I204-L208 PolarHBondContact O-N 3.33Å; I204-V272 HydrophobicContact CG1-CG1 4.33Å; I204-V272 HydrophobicContact CG1-CG2 4.31Å; I204-Y354 HydrophobicContact CG2-CE2 4.14Å; I204-Y354 WeakPolarHBondContact CG2-OH 3.41Å
205F96.1Very high91.4Very high1 Ų134.3 Ų34.30%0.00419%0.189CC..Hα-helixtrans-66.1-43.9178.1-64.1-69.8000112N201 F202 H203 L209 L232 V272 V275 L276 Y354N201-F205 HydrophobicContact CB-CD2 4.19Å; F202-F205 HydrophobicContact CB-CD2 4.25Å; F202-F205 HydrophobicContact CB-CE2 4.29Å; F202-F205 HydrophobicContact CD2-CE2 4.48Å; F202-F205 PolarHBondContact O-N 3.05Å; H203-F205 PolarHBondContact O-N 3.49Å; H203-F205 VanDerWaalsContact O-N 3.14Å; F205-L209 WeakPolarHBondContact O-CG 3.36Å; F205-L209 PolarHBondContact O-N 2.89Å; F205-L232 HydrophobicContact CB-CD2 3.81Å; F205-L232 HydrophobicContact CG-CD2 4.34Å; F205-V272 HydrophobicContact CD1-CG1 3.7Å; F205-V272 HydrophobicContact CE1-CG1 3.71Å; F205-V275 HydrophobicContact CE1-CB 4.36Å; F205-V275 HydrophobicContact CE1-CG1 4.08Å; F205-V275 HydrophobicContact CZ-CB 4.49Å; F205-V275 HydrophobicContact CZ-CG1 3.82Å; F205-L276 HydrophobicContact CD1-CB 4.29Å; F205-L276 HydrophobicContact CD1-CD1 4.2Å; F205-L276 HydrophobicContact CE1-CB 4.33Å; F205-Y354 HydrophobicContact CE2-CD2 4.28Å; F205-Y354 AromaticContact CE2-CE2 3.77Å; F205-Y354 HydrophobicContact CE2-CE2 3.77Å; F205-Y354 AromaticContact CZ-CD2 3.75Å; F205-Y354 HydrophobicContact CZ-CD2 3.75Å; F205-Y354 AromaticContact CZ-CE2 3.59Å; F205-Y354 HydrophobicContact CZ-CE2 3.59Å
206Y94.7Very high91.7Very high0 Ų033.8 Ų33.80%019%0.188CC..Hα-helixtrans-71.7-40.3178.8-57.2-86.6000111.5R200 N201 F202 H203 S210 F226 L232 A237R200-Y206 WeakPolarHBondContact CA-OH 3.38Å; R200-Y206 HydrophobicContact CB-CE2 3.68Å; R200-Y206 HydrophobicContact CG-CE1 4.3Å; R200-Y206 HydrophobicContact CG-CE2 4.01Å; N201-Y206 HydrophobicContact CB-CE2 3.96Å; N201-Y206 PolarHBondContact N-OH 3.03Å; F202-Y206 WeakPolarHBondContact O-CD2 3.34Å; H203-Y206 PolarHBondContact O-N 3.42Å; Y206-S210 WeakPolarHBondContact O-CB 3.37Å; Y206-S210 PolarHBondContact O-N 3.17Å; Y206-S210 PolarHBondContact O-OG 2.5Å; Y206-F226 HydrophobicContact CD1-CD1 4.2Å; Y206-F226 AromaticContact CD1-CE1 3.91Å; Y206-F226 HydrophobicContact CD1-CE1 3.91Å; Y206-F226 HydrophobicContact CD1-CZ 4.44Å; Y206-L232 HydrophobicContact CE1-CD2 4.2Å; Y206-L232 HydrophobicContact CE2-CD2 4.14Å; Y206-A237 HydrophobicContact CE1-CB 4.33Å
207Q95.3Very high92.4Very high10 Ų1030.6 Ų30.65%0.04717%0.167CC..Hα-helixtrans-62.2-45.2175.9-70.4173.31.400111.5H203 G211 D244 N247 F248H203-Q207 HydrophobicContact CB-CG 4.47Å; H203-Q207 WeakPolarHBondContact O-CB 3.24Å; H203-Q207 VanDerWaalsContact O-CG 3.24Å; H203-Q207 WeakPolarHBondContact O-CG 3.41Å; H203-Q207 PolarHBondContact O-N 3.41Å; Q207-G211 WeakPolarHBondContact O-CA 3.47Å; Q207-G211 PolarHBondContact O-N 3.43Å; Q207-D244 HydrophobicContact CG-CB 4.32Å; Q207-N247 HydrophobicContact CG-CB 4.12Å; Q207-F248 HydrophobicContact CB-CB 3.92Å; Q207-F248 HydrophobicContact CB-CD2 4.03Å; Q207-F248 HydrophobicContact CB-CG 4.43Å; Q207-F248 WeakPolarHBondContact O-CB 3.4Å; Q207-F248 WeakPolarHBondContact O-CG 3.3Å
208L95.8Very high93Very high1 Ų127.1 Ų27.11%0.00516%0.158CC..Hα-helixtrans-60.2-53.4177.717657.6000111.5I204 S210 A212 L220 L222 F248 L269 V272I204-L208 WeakPolarHBondContact O-CB 3.44Å; I204-L208 PolarHBondContact O-N 3.33Å; L208-S210 PolarHBondContact O-N 3.43Å; L208-A212 HydrophobicContact CD1-CB 3.9Å; L208-A212 WeakPolarHBondContact O-CB 3.27Å; L208-A212 PolarHBondContact O-N 3.03Å; L208-L220 HydrophobicContact CD1-CD1 3.88Å; L208-L220 HydrophobicContact CD2-CD1 4.35Å; L208-L222 HydrophobicContact CD2-CD1 3.83Å; L208-L222 HydrophobicContact CG-CD1 4.25Å; L208-F248 HydrophobicContact CB-CE2 4.27Å; L208-F248 HydrophobicContact CD1-CE2 3.98Å; L208-F248 HydrophobicContact CD1-CZ 3.91Å; L208-L269 HydrophobicContact CD1-CD1 4.41Å; L208-L269 HydrophobicContact CD1-CD2 4.05Å; L208-V272 HydrophobicContact CD2-CB 4.24Å; L208-V272 HydrophobicContact CD2-CG1 3.72Å
209L94.7Very high93.5Very high0 Ų032.7 Ų32.70%017%0.174CC..Hα-helixtrans-64.1-41.3-178.3-66.8177.7000112F205 L217 L222 E223 R224 F226 Y229 L232 L276F205-L209 WeakPolarHBondContact O-CG 3.36Å; F205-L209 PolarHBondContact O-N 2.89Å; L209-L217 HydrophobicContact CD2-CD2 4.27Å; L209-L222 HydrophobicContact CD2-CB 4.1Å; L209-L222 HydrophobicContact CD2-CD1 4.01Å; L209-E223 WeakPolarHBondContact CD2-O 3.29Å; L209-R224 WeakPolarHBondContact O-CD 3.42Å; L209-R224 VanDerWaalsContact O-CG 3.28Å; L209-R224 WeakPolarHBondContact O-CG 3.39Å; L209-R224 PolarHBondContact O-NE 3.43Å; L209-F226 HydrophobicContact CB-CE1 3.88Å; L209-F226 HydrophobicContact CD1-CD1 3.63Å; L209-F226 HydrophobicContact CD1-CE1 3.77Å; L209-F226 HydrophobicContact CG-CE1 4.47Å; L209-Y229 HydrophobicContact CD1-CD2 4.03Å; L209-Y229 HydrophobicContact CD1-CE2 3.8Å; L209-Y229 HydrophobicContact CD2-CE2 4.05Å; L209-L232 HydrophobicContact CD1-CD1 3.61Å; L209-L276 HydrophobicContact CD1-CD2 4.07Å; L209-L276 HydrophobicContact CD2-CD2 4.32Å; L209-L276 HydrophobicContact CG-CD2 4.41Å
210S93.3Very high93.9Very high39 Ų3932 Ų3227%0.27317%0.171SC..Hα-helixtrans-76.3-38.7-177.2-52.40000113.2Y206 L208Y206-S210 WeakPolarHBondContact O-CB 3.37Å; Y206-S210 PolarHBondContact O-N 3.17Å; Y206-S210 PolarHBondContact O-OG 2.5Å; L208-S210 PolarHBondContact O-N 3.43Å
211G93.3Very high94.1Very high23 Ų2336.2 Ų36.224%0.23719%0.189CC..Hα-helixtrans-105-18-167.100000116.1Q207 F248Q207-G211 WeakPolarHBondContact O-CA 3.47Å; Q207-G211 PolarHBondContact O-N 3.43Å; G211-F248 VanDerWaalsContact C-CD1 3.45Å
212A94.3Very high94.1Very high3 Ų336.8 Ų36.83%0.02519%0.192CC..SBendtrans-73.8147.7178.200000111.8L208 T216 L217 R224 F248L208-A212 HydrophobicContact CD1-CB 3.9Å; L208-A212 WeakPolarHBondContact O-CB 3.27Å; L208-A212 PolarHBondContact O-N 3.03Å; A212-T216 HydrophobicContact CB-CG2 4.12Å; A212-L217 HydrophobicContact CB-CD2 4.03Å; A212-L217 HydrophobicContact CB-CG 4.12Å; A212-R224 PolarHBondContact O-NH2 3.02Å; A212-F248 HydrophobicContact CB-CE1 3.9Å; A212-F248 HydrophobicContact CB-CZ 4.18Å
213S93.7Very high94Very high62 Ų6241.7 Ų41.743%0.43422%0.215SC..  trans-65.6155.1176.275.70000111.5D215 T216 L217S213-D215 PolarHBondContact O-N 3.13Å; S213-T216 WeakPolarHBondContact O-CA 3.34Å; S213-T216 WeakPolarHBondContact O-CB 3.25Å; S213-T216 PolarHBondContact O-N 3.01Å; S213-T216 PolarHBondContact OG-N 3.29Å; S213-T216 VanDerWaalsContact OG-N 3.15Å; S213-T216 PolarHBondContact OG-OG1 2.98Å; S213-L217 PolarHBondContact O-N 3.5Å
214D92.6Very high93.9Very high92 Ų9247.1 Ų47.149%0.49224%0.235SC..Hα-helixtrans-60.3-32.1179-63.3-11000111.9L217 K218 R224D214-L217 PolarHBondContact O-N 3Å; D214-K218 WeakPolarHBondContact O-CB 3.28Å; D214-K218 VanDerWaalsContact O-CG 3.29Å; D214-K218 WeakPolarHBondContact O-CG 3.1Å; D214-K218 PolarHBondContact O-N 3.37Å; D214-R224 IonicContact OD1-CZ 2.79Å; D214-R224 IonicContact OD1-NH1 3.93Å; D214-R224 PolarHBondContact OD1-NH1 3.09Å; D214-R224 IonicContact OD1-NH2 3.8Å; D214-R224 PolarHBondContact OD1-NH2 2.98Å
215D93Very high93.6Very high111 Ų11149.8 Ų49.859%0.59425%0.25SC*.Hα-helixtrans-67.2-40.6173.8-74.6-5.6000112.1S213 K219S213-D215 PolarHBondContact O-N 3.13Å; D215-K219 WeakPolarHBondContact O-CG 3.16Å; D215-K219 PolarHBondContact O-N 2.91Å
216T92.1Very high93.3Very high21 Ų2151.3 Ų51.313%0.12926%0.256CS..Hα-helixtrans-64-46174.4-53.20000110.6A212 S213 K218 K219 L220A212-T216 HydrophobicContact CB-CG2 4.12Å; S213-T216 WeakPolarHBondContact O-CA 3.34Å; S213-T216 WeakPolarHBondContact O-CB 3.25Å; S213-T216 PolarHBondContact O-N 3.01Å; S213-T216 PolarHBondContact OG-N 3.29Å; S213-T216 VanDerWaalsContact OG-N 3.15Å; S213-T216 PolarHBondContact OG-OG1 2.98Å; T216-K218 PolarHBondContact O-N 3.36Å; T216-K219 WeakPolarHBondContact O-CB 3.2Å; T216-K219 PolarHBondContact O-N 2.98Å; T216-L220 HydrophobicContact CG2-CD1 3.92Å; T216-L220 HydrophobicContact CG2-CG 4.41Å; T216-L220 VanDerWaalsContact O-CG 3.28Å; T216-L220 WeakPolarHBondContact O-CG 3.33Å; T216-L220 PolarHBondContact O-N 3.48Å
217L94.2Very high93Very high7 Ų754.7 Ų54.74%0.03728%0.28CS..Hα-helixtrans-62.6-42.1178.6-69177.5000111.9L209 A212 S213 D214 K219 L220 K221 L222 R224L209-L217 HydrophobicContact CD2-CD2 4.27Å; A212-L217 HydrophobicContact CB-CD2 4.03Å; A212-L217 HydrophobicContact CB-CG 4.12Å; S213-L217 PolarHBondContact O-N 3.5Å; D214-L217 PolarHBondContact O-N 3Å; L217-K219 VanDerWaalsContact C-N 3.35Å; L217-K219 PolarHBondContact O-N 3.41Å; L217-L220 CarbonylContact O-C 3.54Å; L217-L220 PolarHBondContact O-N 3.03Å; L217-K221 PolarHBondContact O-N 2.85Å; L217-L222 HydrophobicContact CD2-CB 3.9Å; L217-L222 HydrophobicContact CD2-CD1 4.28Å; L217-L222 PolarHBondContact O-N 2.9Å; L217-R224 HydrophobicContact CD1-CB 3.99Å
218K93.1Very high92.8Very high149 Ų14958.6 Ų58.665%0.64830%0.297SS*.Hα-helixtrans-59.6-42173.5-77.9173.6-175.6171.90112.7D214 T216 L220 K221D214-K218 WeakPolarHBondContact O-CB 3.28Å; D214-K218 VanDerWaalsContact O-CG 3.29Å; D214-K218 WeakPolarHBondContact O-CG 3.1Å; D214-K218 PolarHBondContact O-N 3.37Å; T216-K218 PolarHBondContact O-N 3.36Å; K218-L220 VanDerWaalsContact C-N 3.34Å; K218-K221 PolarHBondContact O-N 3.01Å
219K92.1Very high92.7Very high146 Ų14658.8 Ų58.864%0.63530%0.298SS*.Hα-helixtrans-63.1-41.1175.1-74.7175.2-179.2-178.70111.8D215 T216 L217 K221D215-K219 WeakPolarHBondContact O-CG 3.16Å; D215-K219 PolarHBondContact O-N 2.91Å; T216-K219 WeakPolarHBondContact O-CB 3.2Å; T216-K219 PolarHBondContact O-N 2.98Å; L217-K219 VanDerWaalsContact C-N 3.35Å; L217-K219 PolarHBondContact O-N 3.41Å; K219-K221 PolarHBondContact O-N 3.07Å
220L93.5Very high92.5Very high0 Ų063.2 Ų63.20%032%0.321CS..THydrogen-bonded Turntrans-78-1.2177.7-63.5176.3000113.7L208 T216 L217 K218 L222 L269 E270 A273L208-L220 HydrophobicContact CD1-CD1 3.88Å; L208-L220 HydrophobicContact CD2-CD1 4.35Å; T216-L220 HydrophobicContact CG2-CD1 3.92Å; T216-L220 HydrophobicContact CG2-CG 4.41Å; T216-L220 VanDerWaalsContact O-CG 3.28Å; T216-L220 WeakPolarHBondContact O-CG 3.33Å; T216-L220 PolarHBondContact O-N 3.48Å; L217-L220 CarbonylContact O-C 3.54Å; L217-L220 PolarHBondContact O-N 3.03Å; K218-L220 VanDerWaalsContact C-N 3.34Å; L220-L222 HydrophobicContact CB-CB 4.47Å; L220-L222 HydrophobicContact CB-CD1 4.03Å; L220-L222 HydrophobicContact CB-CG 3.92Å; L220-L222 HydrophobicContact CD1-CD1 4.27Å; L220-L222 PolarHBondContact O-N 3.05Å; L220-L269 HydrophobicContact CD1-CB 4.2Å; L220-L269 HydrophobicContact CD2-CB 4.41Å; L220-E270 HydrophobicContact CD2-CB 4.27Å; L220-E270 HydrophobicContact CD2-CG 3.57Å; L220-A273 HydrophobicContact CB-CB 3.95Å; L220-A273 HydrophobicContact CD2-CB 4.13Å; L220-A273 HydrophobicContact CG-CB 4.43Å
221K93.9Very high92.6Very high89 Ų8961.5 Ų61.539%0.38731%0.309SS..THydrogen-bonded Turntrans56.230.7-173.9-51.6-65.3-175.5171.20112.9L217 K218 K219 K277 E305L217-K221 PolarHBondContact O-N 2.85Å; K218-K221 PolarHBondContact O-N 3.01Å; K219-K221 PolarHBondContact O-N 3.07Å; K221-K277 WeakPolarHBondContact O-CE 3.39Å; K221-K277 PolarHBondContact O-NZ 3.44Å; K221-E305 HydrophobicContact CB-CB 4.37Å; K221-E305 HydrophobicContact CG-CB 4.35Å
222L94.6Very high92.5Very high11 Ų1161 Ų616%0.05830%0.301CS..  trans-101.3142.3-179.7-65-179.8000111.1L208 L209 L217 L220 Y229 A273 L276 K277L208-L222 HydrophobicContact CD2-CD1 3.83Å; L208-L222 HydrophobicContact CG-CD1 4.25Å; L209-L222 HydrophobicContact CD2-CB 4.1Å; L209-L222 HydrophobicContact CD2-CD1 4.01Å; L217-L222 HydrophobicContact CD2-CB 3.9Å; L217-L222 HydrophobicContact CD2-CD1 4.28Å; L217-L222 PolarHBondContact O-N 2.9Å; L220-L222 HydrophobicContact CB-CB 4.47Å; L220-L222 HydrophobicContact CB-CD1 4.03Å; L220-L222 HydrophobicContact CB-CG 3.92Å; L220-L222 HydrophobicContact CD1-CD1 4.27Å; L220-L222 PolarHBondContact O-N 3.05Å; L222-Y229 WeakPolarHBondContact CA-OH 3.22Å; L222-Y229 WeakPolarHBondContact CB-OH 3.43Å; L222-Y229 HydrophobicContact CD2-CE1 3.86Å; L222-Y229 WeakPolarHBondContact CD2-OH 3.45Å; L222-A273 HydrophobicContact CD1-CB 3.72Å; L222-A273 HydrophobicContact CD2-CB 4.11Å; L222-A273 HydrophobicContact CG-CB 3.97Å; L222-L276 HydrophobicContact CD2-CD2 4.15Å; L222-K277 HydrophobicContact CD2-CG 4.31Å
223E92.1Very high91.9Very high103 Ų10362.7 Ų62.748%0.48131%0.312SS..  trans-99142167.1-60.3-163.1-129.800110.9L209 D225 K228 Y229L209-E223 WeakPolarHBondContact CD2-O 3.29Å; E223-D225 PolarHBondContact O-N 2.81Å; E223-K228 HydrophobicContact CB-CD 4.13Å; E223-K228 HydrophobicContact CG-CD 4.36Å; E223-K228 IonicContact OE1-NZ 2.94Å; E223-K228 PolarHBondContact OE1-NZ 3.2Å; E223-K228 WeakPolarHBondContact OE2-CD 3.24Å; E223-K228 WeakPolarHBondContact OE2-CE 3.43Å; E223-K228 IonicContact OE2-NZ 2.71Å; E223-K228 PolarHBondContact OE2-NZ 3Å; E223-Y229 PolarHBondContact N-OH 3.03Å; E223-Y229 WeakPolarHBondContact O-CE2 3.28Å; E223-Y229 PolarHBondContact O-OH 3.36Å
224R92.3Very high91Very high120 Ų12064.6 Ų64.645%0.45332%0.317SS..SBendtrans-79.956.6176.1-168.1178-69.4131.22.5111L209 A212 D214 L217L209-R224 WeakPolarHBondContact O-CD 3.42Å; L209-R224 VanDerWaalsContact O-CG 3.28Å; L209-R224 WeakPolarHBondContact O-CG 3.39Å; L209-R224 PolarHBondContact O-NE 3.43Å; A212-R224 PolarHBondContact O-NH2 3.02Å; D214-R224 IonicContact OD1-CZ 2.79Å; D214-R224 IonicContact OD1-NH1 3.93Å; D214-R224 PolarHBondContact OD1-NH1 3.09Å; D214-R224 IonicContact OD1-NH2 3.8Å; D214-R224 PolarHBondContact OD1-NH2 2.98Å; L217-R224 HydrophobicContact CD1-CB 3.99Å
225D90.1Very high90.1Very high57 Ų5766.3 Ų66.331%0.30533%0.326SS..  trans-142.4115.9176.3-176.4-7.3000109.5E223 S227 K228 Y229E223-D225 PolarHBondContact O-N 2.81Å; D225-S227 VanDerWaalsContact C-N 3.25Å; D225-S227 PolarHBondContact O-N 2.85Å; D225-S227 WeakPolarHBondContact OD1-CB 3.41Å; D225-S227 PolarHBondContact OD1-N 2.88Å; D225-S227 PolarHBondContact OD1-OG 2.99Å; D225-S227 PolarHBondContact OD2-OG 2.93Å; D225-S227 VanDerWaalsContact OD2-OG 3.05Å; D225-K228 HydrophobicContact CB-CD 4.28Å; D225-K228 HydrophobicContact CB-CG 4.14Å; D225-K228 PolarHBondContact O-N 2.8Å; D225-Y229 VanDerWaalsContact O-CD2 3.28Å; D225-Y229 WeakPolarHBondContact O-CD2 3.47Å; D225-Y229 WeakPolarHBondContact O-CE2 3.36Å
226F91.1Very high89.2Confident34 Ų3461.1 Ų61.115%0.14930%0.299CS..G310 helixtrans-67.2-26.8-178.7-55.8-64.9000112.8Y206 L209 K228 Y229 L232 L234 A237Y206-F226 HydrophobicContact CD1-CD1 4.2Å; Y206-F226 AromaticContact CD1-CE1 3.91Å; Y206-F226 HydrophobicContact CD1-CE1 3.91Å; Y206-F226 HydrophobicContact CD1-CZ 4.44Å; L209-F226 HydrophobicContact CB-CE1 3.88Å; L209-F226 HydrophobicContact CD1-CD1 3.63Å; L209-F226 HydrophobicContact CD1-CE1 3.77Å; L209-F226 HydrophobicContact CG-CE1 4.47Å; F226-K228 PolarHBondContact O-N 2.94Å; F226-Y229 PolarHBondContact O-N 2.86Å; F226-L232 HydrophobicContact CD1-CD1 4.07Å; F226-L234 HydrophobicContact CB-CD1 4.21Å; F226-A237 HydrophobicContact CB-CB 4.12Å; F226-A237 HydrophobicContact CD2-CB 3.55Å; F226-A237 HydrophobicContact CE2-CB 4.05Å; F226-A237 HydrophobicContact CG-CB 3.83Å
227S88.9Confident88.4Confident71 Ų7160.3 Ų60.350%0.49729%0.294SS..G310 helixtrans-69-17.8-177.969.80000113.3D225 Y229D225-S227 VanDerWaalsContact C-N 3.25Å; D225-S227 PolarHBondContact O-N 2.85Å; D225-S227 WeakPolarHBondContact OD1-CB 3.41Å; D225-S227 PolarHBondContact OD1-N 2.88Å; D225-S227 PolarHBondContact OD1-OG 2.99Å; D225-S227 PolarHBondContact OD2-OG 2.93Å; D225-S227 VanDerWaalsContact OD2-OG 3.05Å; S227-Y229 VanDerWaalsContact C-N 3.29Å; S227-Y229 PolarHBondContact O-N 2.72Å
228K90.1Very high87.6Confident91 Ų9165.7 Ų65.740%0.39633%0.327SS..G310 helixtrans-82-2.2179.9-68.3-166.5166.4-167.80114.4E223 D225 F226 N280E223-K228 HydrophobicContact CB-CD 4.13Å; E223-K228 HydrophobicContact CG-CD 4.36Å; E223-K228 IonicContact OE1-NZ 2.94Å; E223-K228 PolarHBondContact OE1-NZ 3.2Å; E223-K228 WeakPolarHBondContact OE2-CD 3.24Å; E223-K228 WeakPolarHBondContact OE2-CE 3.43Å; E223-K228 IonicContact OE2-NZ 2.71Å; E223-K228 PolarHBondContact OE2-NZ 3Å; D225-K228 HydrophobicContact CB-CD 4.28Å; D225-K228 HydrophobicContact CB-CG 4.14Å; D225-K228 PolarHBondContact O-N 2.8Å; F226-K228 PolarHBondContact O-N 2.94Å; K228-N280 PolarHBondContact O-ND2 2.76Å; K228-N280 PolarHBondContact O-OD1 3.01Å
229Y93.1Very high86.8Confident6 Ų659.3 Ų59.32%0.02430%0.301CS..  trans-124.3117.3-176.4-54.3-76000111.6L209 L222 E223 D225 F226 S227 Y231 L232 L276 N280L209-Y229 HydrophobicContact CD1-CD2 4.03Å; L209-Y229 HydrophobicContact CD1-CE2 3.8Å; L209-Y229 HydrophobicContact CD2-CE2 4.05Å; L222-Y229 WeakPolarHBondContact CA-OH 3.22Å; L222-Y229 WeakPolarHBondContact CB-OH 3.43Å; L222-Y229 HydrophobicContact CD2-CE1 3.86Å; L222-Y229 WeakPolarHBondContact CD2-OH 3.45Å; E223-Y229 PolarHBondContact N-OH 3.03Å; E223-Y229 WeakPolarHBondContact O-CE2 3.28Å; E223-Y229 PolarHBondContact O-OH 3.36Å; D225-Y229 VanDerWaalsContact O-CD2 3.28Å; D225-Y229 WeakPolarHBondContact O-CD2 3.47Å; D225-Y229 WeakPolarHBondContact O-CE2 3.36Å; F226-Y229 PolarHBondContact O-N 2.86Å; S227-Y229 VanDerWaalsContact C-N 3.29Å; S227-Y229 PolarHBondContact O-N 2.72Å; Y229-Y231 PolarHBondContact O-N 2.93Å; Y229-Y231 VanDerWaalsContact O-N 3.13Å; Y229-L232 HydrophobicContact CD2-CD1 4.14Å; Y229-L232 HydrophobicContact CG-CD1 4.46Å; Y229-L232 PolarHBondContact O-N 2.89Å; Y229-L232 VanDerWaalsContact O-O 3.04Å; Y229-L276 HydrophobicContact CD1-CD1 4.14Å; Y229-L276 HydrophobicContact CD1-CD2 3.74Å; Y229-L276 HydrophobicContact CD1-CG 3.46Å; Y229-L276 VanDerWaalsContact CD1-CG 3.46Å; Y229-L276 HydrophobicContact CD2-CD2 3.95Å; Y229-L276 HydrophobicContact CD2-CG 4.35Å; Y229-L276 HydrophobicContact CE1-CD2 3.78Å; Y229-L276 HydrophobicContact CE1-CG 3.91Å; Y229-L276 HydrophobicContact CE2-CD2 4.01Å; Y229-L276 HydrophobicContact CG-CD1 3.9Å; Y229-L276 HydrophobicContact CG-CD2 3.79Å; Y229-L276 HydrophobicContact CG-CG 3.69Å; Y229-N280 WeakPolarHBondContact CA-OD1 3.35Å
230N91.9Very high86Confident93 Ų9358.3 Ų58.350%0.49731%0.312SS..THydrogen-bonded Turntrans-62-24.9-178.1-70.6-26.1000113.8L232 G279 N280N230-L232 VanDerWaalsContact C-N 3.27Å; N230-L232 PolarHBondContact O-N 3.45Å; N230-G279 WeakPolarHBondContact CB-O 3.41Å; N230-G279 PolarHBondContact ND2-O 3.47Å; N230-N280 PolarHBondContact N-OD1 2.87Å; N230-N280 VanDerWaalsContact N-OD1 3.14Å
231Y93.8Very high85.1Confident3 Ų362.5 Ų62.51%0.01236%0.356CS..THydrogen-bonded Turntrans-82.91177.3-68-13.7000113.9V193 Q195 N201 Y229 V275 G279 D347 A350V193-Y231 HydrophobicContact CB-CD1 4.18Å; V193-Y231 HydrophobicContact CB-CE1 3.65Å; V193-Y231 HydrophobicContact CG1-CE1 3.97Å; V193-Y231 HydrophobicContact CG1-CE2 4.12Å; V193-Y231 WeakPolarHBondContact O-CD1 3.31Å; Q195-Y231 PolarHBondContact NE2-O 3.18Å; Q195-Y231 PolarHBondContact OE1-O 3.48Å; N201-Y231 PolarHBondContact ND2-O 3.22Å; Y229-Y231 PolarHBondContact O-N 2.93Å; Y229-Y231 VanDerWaalsContact O-N 3.13Å; Y231-V275 WeakPolarHBondContact CD2-O 3.32Å; Y231-V275 VanDerWaalsContact CE2-O 3.3Å; Y231-V275 WeakPolarHBondContact CE2-O 3.45Å; Y231-G279 VanDerWaalsContact CE1-CA 3.48Å; Y231-G279 VanDerWaalsContact CE2-CA 3.42Å; Y231-D347 PolarHBondContact OH-OD1 2.95Å; Y231-D347 VanDerWaalsContact OH-OD1 3.07Å; Y231-A350 HydrophobicContact CE2-CB 3.75Å
232L91.9Very high84.6Confident12 Ų1260.4 Ų60.46%0.06335%0.348CS..SBendtrans-122.6135.9175.8-56.9177.8000109.9N201 F205 Y206 L209 F226 Y229 N230 L276N201-L232 HydrophobicContact CB-CD2 3.92Å; F205-L232 HydrophobicContact CB-CD2 3.81Å; F205-L232 HydrophobicContact CG-CD2 4.34Å; Y206-L232 HydrophobicContact CE1-CD2 4.2Å; Y206-L232 HydrophobicContact CE2-CD2 4.14Å; L209-L232 HydrophobicContact CD1-CD1 3.61Å; F226-L232 HydrophobicContact CD1-CD1 4.07Å; Y229-L232 HydrophobicContact CD2-CD1 4.14Å; Y229-L232 HydrophobicContact CG-CD1 4.46Å; Y229-L232 PolarHBondContact O-N 2.89Å; Y229-L232 VanDerWaalsContact O-O 3.04Å; N230-L232 VanDerWaalsContact C-N 3.27Å; N230-L232 PolarHBondContact O-N 3.45Å; L232-L276 HydrophobicContact CD1-CD1 3.68Å; L232-L276 HydrophobicContact CD1-CD2 4.19Å; L232-L276 HydrophobicContact CD2-CD1 4.25Å; L232-L276 HydrophobicContact CG-CD1 3.68Å
233S80.9Confident84.3Confident38 Ų3864.1 Ų64.127%0.26637%0.368SS..  trans-93.7130.9172.7177.40000110.8A237S233-A237 PolarHBondContact O-N 3.33Å
234L75.4Confident84.3Confident103 Ų10359.8 Ų59.854%0.53935%0.348SS..SBendtrans-66.4-42.7176.9-168.769.9000112F226 S236 A237F226-L234 HydrophobicContact CB-CD1 4.21Å; L234-S236 PolarHBondContact O-N 3.12Å; L234-S236 VanDerWaalsContact O-N 3.16Å; L234-A237 VanDerWaalsContact O-CB 3.27Å; L234-A237 WeakPolarHBondContact O-CB 3.28Å; L234-A237 PolarHBondContact O-N 2.86Å
235D73.6Confident84.3Confident128 Ų12855.3 Ų55.368%0.68434%0.337SS*.THydrogen-bonded Turntrans-59.8-29.9-176.5-67.3-11.8000113
236S75.1Confident84.5Confident2 Ų253.9 Ų53.91%0.01433%0.333CS..THydrogen-bonded Turntrans-102.92.4-178.7-56.70000113.1G198 E199 R200 L234 T238G198-S236 VanDerWaalsContact C-OG 3.29Å; G198-S236 WeakPolarHBondContact CA-OG 3.48Å; E199-S236 WeakPolarHBondContact O-CB 3.38Å; E199-S236 PolarHBondContact O-OG 3.36Å; R200-S236 WeakPolarHBondContact CG-O 3.31Å; R200-S236 PolarHBondContact NE-O 2.97Å; L234-S236 PolarHBondContact O-N 3.12Å; L234-S236 VanDerWaalsContact O-N 3.16Å; S236-T238 VanDerWaalsContact C-N 3.29Å; S236-T238 PolarHBondContact O-N 3.04Å
237A74.8Confident84.6Confident4 Ų454.9 Ų54.93%0.03334%0.34CS..SBendtrans-70.3-17.2-165.800000114.7R200 Y206 F226 S233 L234R200-A237 PolarHBondContact NH2-O 2.96Å; Y206-A237 HydrophobicContact CE1-CB 4.33Å; F226-A237 HydrophobicContact CB-CB 4.12Å; F226-A237 HydrophobicContact CD2-CB 3.55Å; F226-A237 HydrophobicContact CE2-CB 4.05Å; F226-A237 HydrophobicContact CG-CB 3.83Å; S233-A237 PolarHBondContact O-N 3.33Å; L234-A237 VanDerWaalsContact O-CB 3.27Å; L234-A237 WeakPolarHBondContact O-CB 3.28Å; L234-A237 PolarHBondContact O-N 2.86Å
238T77.3Confident84.9Confident119 Ų11952.1 Ų52.173%0.7332%0.319SS*.  trans-120.6135.7174.254.70000111.4S236S236-T238 VanDerWaalsContact C-N 3.29Å; S236-T238 PolarHBondContact O-N 3.04Å
239V77.3Confident85.1Confident15 Ų1555.7 Ų55.79%0.09133%0.33CS..  trans-119.8128.4179.3168.90000108.6K153 D158 R200 G241 L242K153-V239 HydrophobicContact CB-CG2 4.3Å; K153-V239 HydrophobicContact CD-CG2 3.81Å; K153-V239 HydrophobicContact CG-CG2 3.85Å; D158-V239 HydrophobicContact CB-CG1 4.09Å; R200-V239 VanDerWaalsContact NE-CG2 3.31Å; V239-G241 PolarHBondContact O-N 2.86Å; V239-L242 HydrophobicContact CB-CB 4.14Å; V239-L242 HydrophobicContact CG1-CB 3.98Å; V239-L242 PolarHBondContact O-N 3.43Å
240S75.2Confident85.1Confident125 Ų12558.8 Ų58.887%0.87435%0.35SS*.THydrogen-bonded Turntrans-59.2124.3-179.3174.90000111.3L242S240-L242 VanDerWaalsContact C-N 3.34Å
241G74.1Confident85.3Confident89 Ų8954.6 Ų54.692%0.91833%0.328SS*.THydrogen-bonded Turntrans81.65.8177.800000115.3V239V239-G241 PolarHBondContact O-N 2.86Å
242L82.2Confident85.2Confident44 Ų4458.6 Ų58.623%0.2334%0.343CS..  trans-113.6117.6176.7-164.6150.2000110.1V239 S240 D244 N247V239-L242 HydrophobicContact CB-CB 4.14Å; V239-L242 HydrophobicContact CG1-CB 3.98Å; V239-L242 PolarHBondContact O-N 3.43Å; S240-L242 VanDerWaalsContact C-N 3.34Å; L242-D244 HydrophobicContact CD2-CB 4.37Å; L242-D244 VanDerWaalsContact CD2-CG 3.4Å; L242-D244 WeakPolarHBondContact CD2-OD1 3.46Å; L242-N247 WeakPolarHBondContact CD2-ND2 3.47Å
243D89.8Confident85.3Confident89 Ų8962.1 Ų62.148%0.47636%0.362SS..  trans-97.295.2175.6-177.8-12.5000109.7A245 A246 N247D243-A245 PolarHBondContact O-N 2.71Å; D243-A245 WeakPolarHBondContact OD1-CB 3.38Å; D243-A245 PolarHBondContact OD1-N 3.2Å; D243-A246 HydrophobicContact CB-CB 3.93Å; D243-A246 VanDerWaalsContact CG-CB 3.45Å; D243-A246 PolarHBondContact O-N 3.49Å; D243-A246 PolarHBondContact OD1-N 3.26Å; D243-A246 WeakPolarHBondContact OD2-CB 3.35Å; D243-N247 WeakPolarHBondContact O-CB 3.45Å; D243-N247 PolarHBondContact O-N 2.9Å; D243-N247 PolarHBondContact O-ND2 3.41Å
244D91.8Very high85.8Confident12 Ų1260.4 Ų60.46%0.06435%0.35CS..Hα-helixtrans-60.7-31-180-77.9-55000112.1R200 Q207 L242 F248R200-D244 IonicContact CZ-OD2 3.78Å; R200-D244 IonicContact NH1-OD1 3.57Å; R200-D244 IonicContact NH1-OD2 2.87Å; R200-D244 PolarHBondContact NH1-OD2 2.98Å; R200-D244 IonicContact NH2-OD2 3.19Å; R200-D244 PolarHBondContact NH2-OD2 3.47Å; R200-D244 VanDerWaalsContact NH2-OD2 3.15Å; Q207-D244 HydrophobicContact CG-CB 4.32Å; L242-D244 HydrophobicContact CD2-CB 4.37Å; L242-D244 VanDerWaalsContact CD2-CG 3.4Å; L242-D244 WeakPolarHBondContact CD2-OD1 3.46Å; D244-F248 WeakPolarHBondContact O-CB 3.46Å; D244-F248 PolarHBondContact O-N 3.24Å
245A92.6Very high86.6Confident26 Ų2655.9 Ų55.922%0.21533%0.326CS..Hα-helixtrans-75.8-38.7178.900000112.7D243 R249D243-A245 PolarHBondContact O-N 2.71Å; D243-A245 WeakPolarHBondContact OD1-CB 3.38Å; D243-A245 PolarHBondContact OD1-N 3.2Å; A245-R249 PolarHBondContact O-N 3.13Å; A245-R249 PolarHBondContact O-NE 3.37Å
246A93.5Very high87.4Confident27 Ų2754 Ų5422%0.22331%0.313CS..Hα-helixtrans-65.1-43.4169.700000111.5D243 F248 R249 T250D243-A246 HydrophobicContact CB-CB 3.93Å; D243-A246 VanDerWaalsContact CG-CB 3.45Å; D243-A246 PolarHBondContact O-N 3.49Å; D243-A246 PolarHBondContact OD1-N 3.26Å; D243-A246 WeakPolarHBondContact OD2-CB 3.35Å; A246-F248 VanDerWaalsContact C-N 3.33Å; A246-F248 PolarHBondContact O-N 3.34Å; A246-R249 WeakPolarHBondContact O-CB 3.37Å; A246-R249 PolarHBondContact O-N 3.49Å; A246-R249 VanDerWaalsContact O-N 3.16Å; A246-T250 PolarHBondContact O-N 3.12Å; A246-T250 VanDerWaalsContact O-N 3.08Å; A246-T250 PolarHBondContact O-OG1 2.78Å
247N93.3Very high87.9Confident56 Ų5657.6 Ų57.630%0.29933%0.331SS..Hα-helixtrans-62.2-39.1178.7-71.9-25000112.2Q207 L242 D243 R249 T250 V251Q207-N247 HydrophobicContact CG-CB 4.12Å; L242-N247 WeakPolarHBondContact CD2-ND2 3.47Å; D243-N247 WeakPolarHBondContact O-CB 3.45Å; D243-N247 PolarHBondContact O-N 2.9Å; D243-N247 PolarHBondContact O-ND2 3.41Å; N247-R249 VanDerWaalsContact C-N 3.31Å; N247-R249 PolarHBondContact O-N 3.05Å; N247-T250 WeakPolarHBondContact O-CB 3.42Å; N247-T250 PolarHBondContact O-N 3.39Å; N247-T250 VanDerWaalsContact O-N 3.11Å; N247-V251 WeakPolarHBondContact O-CG2 3.36Å; N247-V251 PolarHBondContact O-N 2.84Å
248F95.6Very high88.5Confident13 Ų1357.5 Ų57.56%0.05733%0.33CS..Hα-helixtrans-57.8-42.7174.1-173.1-112.5000112.7Q207 L208 G211 A212 D244 A246 T250 V251 R252 L269Q207-F248 HydrophobicContact CB-CB 3.92Å; Q207-F248 HydrophobicContact CB-CD2 4.03Å; Q207-F248 HydrophobicContact CB-CG 4.43Å; Q207-F248 WeakPolarHBondContact O-CB 3.4Å; Q207-F248 WeakPolarHBondContact O-CG 3.3Å; L208-F248 HydrophobicContact CB-CE2 4.27Å; L208-F248 HydrophobicContact CD1-CE2 3.98Å; L208-F248 HydrophobicContact CD1-CZ 3.91Å; G211-F248 VanDerWaalsContact C-CD1 3.45Å; A212-F248 HydrophobicContact CB-CE1 3.9Å; A212-F248 HydrophobicContact CB-CZ 4.18Å; D244-F248 WeakPolarHBondContact O-CB 3.46Å; D244-F248 PolarHBondContact O-N 3.24Å; A246-F248 VanDerWaalsContact C-N 3.33Å; A246-F248 PolarHBondContact O-N 3.34Å; F248-T250 VanDerWaalsContact C-N 3.33Å; F248-T250 PolarHBondContact O-N 2.89Å; F248-V251 PolarHBondContact O-N 2.86Å; F248-R252 PolarHBondContact O-N 2.85Å; F248-L269 HydrophobicContact CE2-CD2 4.06Å; F248-L269 HydrophobicContact CZ-CD1 4.02Å; F248-L269 HydrophobicContact CZ-CD2 4.29Å
249R94.3Very high88.9Confident165 Ų16553.2 Ų53.262%0.62331%0.31SS*.Hα-helixtrans-63.6-40175.5-70179.4-75.5174.1-2111.6A245 A246 N247 R252 N253A245-R249 PolarHBondContact O-N 3.13Å; A245-R249 PolarHBondContact O-NE 3.37Å; A246-R249 WeakPolarHBondContact O-CB 3.37Å; A246-R249 PolarHBondContact O-N 3.49Å; A246-R249 VanDerWaalsContact O-N 3.16Å; N247-R249 VanDerWaalsContact C-N 3.31Å; N247-R249 PolarHBondContact O-N 3.05Å; R249-R252 PolarHBondContact O-N 3.33Å; R249-N253 WeakPolarHBondContact O-CB 3.47Å; R249-N253 PolarHBondContact O-N 3.19Å
250T93.4Very high89.6Confident71 Ų7152.9 Ų52.944%0.43631%0.307SS..Hα-helixtrans-62.5-44.1174.5-58.40000111.8P144 A246 N247 F248 N253 A254P144-T250 HydrophobicContact CB-CG2 4.34Å; P144-T250 HydrophobicContact CG-CG2 4.49Å; A246-T250 PolarHBondContact O-N 3.12Å; A246-T250 VanDerWaalsContact O-N 3.08Å; A246-T250 PolarHBondContact O-OG1 2.78Å; N247-T250 WeakPolarHBondContact O-CB 3.42Å; N247-T250 PolarHBondContact O-N 3.39Å; N247-T250 VanDerWaalsContact O-N 3.11Å; F248-T250 VanDerWaalsContact C-N 3.33Å; F248-T250 PolarHBondContact O-N 2.89Å; T250-N253 PolarHBondContact O-N 2.81Å; T250-A254 VanDerWaalsContact O-CB 3.29Å; T250-A254 WeakPolarHBondContact O-CB 3.42Å; T250-A254 PolarHBondContact O-N 3.09Å
251V94.6Very high90.5Very high6 Ų652.2 Ų52.24%0.03629%0.291CS..Hα-helixtrans-63.4-46178173.10000110.9A148 N247 F248 N253 A254 M255A148-V251 HydrophobicContact CB-CG1 4.12Å; A148-V251 HydrophobicContact CB-CG2 3.64Å; N247-V251 WeakPolarHBondContact O-CG2 3.36Å; N247-V251 PolarHBondContact O-N 2.84Å; F248-V251 PolarHBondContact O-N 2.86Å; V251-N253 PolarHBondContact O-N 3.42Å; V251-A254 WeakPolarHBondContact O-CB 3.44Å; V251-A254 PolarHBondContact O-N 3.09Å; V251-M255 HydrophobicContact CG1-SD 4.37Å; V251-M255 WeakPolarHBondContact O-CG 3.42Å; V251-M255 PolarHBondContact O-N 3.1Å
252R93.4Very high91.3Very high86 Ų8652.2 Ų52.233%0.32527%0.267SS..Hα-helixtrans-61-44177.1-173.4-179.7171.9126.85111.9F248 R249 M255 Q256 E262 M265F248-R252 PolarHBondContact O-N 2.85Å; R249-R252 PolarHBondContact O-N 3.33Å; R252-M255 PolarHBondContact O-N 3.01Å; R252-Q256 WeakPolarHBondContact O-CG 3.19Å; R252-Q256 PolarHBondContact O-N 3.01Å; R252-Q256 VanDerWaalsContact O-N 3.07Å; R252-E262 IonicContact CZ-OE1 3.43Å; R252-E262 IonicContact CZ-OE2 3.88Å; R252-E262 IonicContact NE-OE1 3.37Å; R252-E262 IonicContact NH2-OE1 3.7Å; R252-E262 PolarHBondContact NH2-OE1 3.21Å; R252-E262 IonicContact NH2-OE2 2.84Å; R252-E262 PolarHBondContact NH2-OE2 2.8Å; R252-M265 HydrophobicContact CG-SD 4.3Å
253N92.2Very high91.7Very high87 Ų8755.4 Ų55.447%0.46529%0.285SS..Hα-helixtrans-63.3-42.1175.6-172.624.6000111.5R249 T250 V251 M255 Q256 I257R249-N253 WeakPolarHBondContact O-CB 3.47Å; R249-N253 PolarHBondContact O-N 3.19Å; T250-N253 PolarHBondContact O-N 2.81Å; V251-N253 PolarHBondContact O-N 3.42Å; N253-M255 PolarHBondContact O-N 3.49Å; N253-Q256 WeakPolarHBondContact O-CB 3.41Å; N253-Q256 PolarHBondContact O-N 3.3Å; N253-I257 VanDerWaalsContact O-CG1 3.29Å; N253-I257 WeakPolarHBondContact O-CG1 3.34Å; N253-I257 PolarHBondContact O-N 3.03Å
254A91.8Very high91.8Very high1 Ų153.1 Ų53.11%0.00827%0.271CS..Hα-helixtrans-61.2-43.8175.700000112.2Q141 P144 V145 T250 V251 Q256 I257 V258Q141-A254 WeakPolarHBondContact O-CB 3.41Å; P144-A254 HydrophobicContact CB-CB 4.04Å; P144-A254 HydrophobicContact CG-CB 4.3Å; V145-A254 HydrophobicContact CG2-CB 3.85Å; T250-A254 VanDerWaalsContact O-CB 3.29Å; T250-A254 WeakPolarHBondContact O-CB 3.42Å; T250-A254 PolarHBondContact O-N 3.09Å; V251-A254 WeakPolarHBondContact O-CB 3.44Å; V251-A254 PolarHBondContact O-N 3.09Å; A254-Q256 VanDerWaalsContact C-N 3.34Å; A254-Q256 PolarHBondContact O-N 3.39Å; A254-I257 PolarHBondContact O-N 3.48Å; A254-V258 VanDerWaalsContact O-CG2 3.26Å; A254-V258 WeakPolarHBondContact O-CG2 3.48Å; A254-V258 PolarHBondContact O-N 2.79Å
255M92.1Very high91.9Very high9 Ų952.9 Ų52.94%0.04427%0.27CS..Hα-helixtrans-59.9-42.6174.3-69.5-177.981.200111.6V145 V251 R252 N253 V258 G259 F260 M265 V268 L361V145-M255 HydrophobicContact CB-CG 4.49Å; V145-M255 HydrophobicContact CG1-CG 4.03Å; V145-M255 HydrophobicContact CG2-CG 3.61Å; V251-M255 HydrophobicContact CG1-SD 4.37Å; V251-M255 WeakPolarHBondContact O-CG 3.42Å; V251-M255 PolarHBondContact O-N 3.1Å; R252-M255 PolarHBondContact O-N 3.01Å; N253-M255 PolarHBondContact O-N 3.49Å; M255-V258 PolarHBondContact O-N 3.02Å; M255-G259 PolarHBondContact O-N 3.48Å; M255-G259 VanDerWaalsContact O-N 3.16Å; M255-F260 HydrophobicContact CB-CB 4.16Å; M255-F260 HydrophobicContact CB-CD2 4.01Å; M255-F260 HydrophobicContact CB-CG 4.2Å; M255-F260 HydrophobicContact CE-CD1 3.82Å; M255-F260 HydrophobicContact CE-CD2 4.42Å; M255-F260 HydrophobicContact CE-CE1 4.03Å; M255-F260 HydrophobicContact CE-CG 4.02Å; M255-F260 HydrophobicContact CE-CZ 4.41Å; M255-F260 HydrophobicContact CG-CD2 4.4Å; M255-F260 WeakPolarHBondContact O-CB 3.31Å; M255-F260 VanDerWaalsContact O-CD2 3.29Å; M255-F260 WeakPolarHBondContact O-CD2 3.46Å; M255-F260 PolarHBondContact O-N 2.93Å; M255-M265 HydrophobicContact CB-CG 4.07Å; M255-M265 HydrophobicContact CB-SD 3.64Å; M255-M265 HydrophobicContact CE-CG 3.95Å; M255-M265 HydrophobicContact SD-CG 4.29Å; M255-V268 HydrophobicContact CE-CB 4.45Å; M255-V268 HydrophobicContact CE-CG1 4.33Å; M255-V268 HydrophobicContact CE-CG2 4.33Å; M255-L361 HydrophobicContact CE-CD2 4Å
256Q90.4Very high91.9Very high88 Ų8853.9 Ų53.941%0.41127%0.27SS..Hα-helixtrans-61.7-44.6174.8-73175.3-16.300112.4R252 N253 A254 V258 G259 E262 M265R252-Q256 WeakPolarHBondContact O-CG 3.19Å; R252-Q256 PolarHBondContact O-N 3.01Å; R252-Q256 VanDerWaalsContact O-N 3.07Å; N253-Q256 WeakPolarHBondContact O-CB 3.41Å; N253-Q256 PolarHBondContact O-N 3.3Å; A254-Q256 VanDerWaalsContact C-N 3.34Å; A254-Q256 PolarHBondContact O-N 3.39Å; Q256-V258 PolarHBondContact O-N 3.36Å; Q256-G259 PolarHBondContact O-N 2.89Å; Q256-G259 VanDerWaalsContact O-N 3.1Å; Q256-E262 PolarHBondContact NE2-OE1 3.13Å; Q256-M265 HydrophobicContact CG-CE 3.54Å; Q256-M265 HydrophobicContact CG-SD 3.87Å
257I86.4Confident91.9Very high77 Ų7753.5 Ų53.540%0.39527%0.266SS..Hα-helixtrans-65.2-38.7-179.8-66.9164.1000111.9Q141 N253 A254 G259Q141-I257 HydrophobicContact CB-CG2 4.15Å; Q141-I257 HydrophobicContact CG-CG2 3.97Å; N253-I257 VanDerWaalsContact O-CG1 3.29Å; N253-I257 WeakPolarHBondContact O-CG1 3.34Å; N253-I257 PolarHBondContact O-N 3.03Å; A254-I257 PolarHBondContact O-N 3.48Å; I257-G259 PolarHBondContact O-N 2.97Å
258V86Confident92Very high2 Ų250.9 Ų50.91%0.01225%0.252CS..Hα-helixtrans-72.3-14.3177178.70000111.8Q141 A254 M255 Q256 F260 I365 S368Q141-V258 HydrophobicContact CB-CG2 4.27Å; A254-V258 VanDerWaalsContact O-CG2 3.26Å; A254-V258 WeakPolarHBondContact O-CG2 3.48Å; A254-V258 PolarHBondContact O-N 2.79Å; M255-V258 PolarHBondContact O-N 3.02Å; Q256-V258 PolarHBondContact O-N 3.36Å; V258-F260 HydrophobicContact CB-CD2 4.41Å; V258-F260 HydrophobicContact CB-CE2 4.46Å; V258-F260 HydrophobicContact CG1-CD2 4.48Å; V258-F260 HydrophobicContact CG1-CE2 4.16Å; V258-I365 HydrophobicContact CG1-CB 4.26Å; V258-I365 HydrophobicContact CG1-CG1 3.94Å; V258-I365 HydrophobicContact CG1-CG2 3.98Å; V258-S368 WeakPolarHBondContact O-CB 3.47Å; V258-S368 PolarHBondContact O-OG 2.9Å
259G87.4Confident91.9Very high29 Ų2950.9 Ų50.930%0.29925%0.252SS..THydrogen-bonded Turntrans101.728.5170.600000114.5M255 Q256 I257 R364M255-G259 PolarHBondContact O-N 3.48Å; M255-G259 VanDerWaalsContact O-N 3.16Å; Q256-G259 PolarHBondContact O-N 2.89Å; Q256-G259 VanDerWaalsContact O-N 3.1Å; I257-G259 PolarHBondContact O-N 2.97Å; G259-R364 PolarHBondContact O-NH2 3.32Å
260F92.2Very high91.9Very high8 Ų845 Ų454%0.03523%0.232CC..  trans-75.2135.9167.3-72.5-99.8000110.5M255 V258 E264 M265 W360 L361 R364 I365M255-F260 HydrophobicContact CB-CB 4.16Å; M255-F260 HydrophobicContact CB-CD2 4.01Å; M255-F260 HydrophobicContact CB-CG 4.2Å; M255-F260 HydrophobicContact CE-CD1 3.82Å; M255-F260 HydrophobicContact CE-CD2 4.42Å; M255-F260 HydrophobicContact CE-CE1 4.03Å; M255-F260 HydrophobicContact CE-CG 4.02Å; M255-F260 HydrophobicContact CE-CZ 4.41Å; M255-F260 HydrophobicContact CG-CD2 4.4Å; M255-F260 WeakPolarHBondContact O-CB 3.31Å; M255-F260 VanDerWaalsContact O-CD2 3.29Å; M255-F260 WeakPolarHBondContact O-CD2 3.46Å; M255-F260 PolarHBondContact O-N 2.93Å; V258-F260 HydrophobicContact CB-CD2 4.41Å; V258-F260 HydrophobicContact CB-CE2 4.46Å; V258-F260 HydrophobicContact CG1-CD2 4.48Å; V258-F260 HydrophobicContact CG1-CE2 4.16Å; F260-E264 HydrophobicContact CD1-CB 4.44Å; F260-M265 HydrophobicContact CB-CG 3.75Å; F260-M265 HydrophobicContact CB-SD 4.39Å; F260-W360 HydrophobicContact CE1-CH2 4.16Å; F260-W360 AromaticContact CE1-CZ3 3.86Å; F260-W360 HydrophobicContact CE1-CZ3 3.86Å; F260-L361 HydrophobicContact CE1-CD2 3.7Å; F260-L361 HydrophobicContact CZ-CD2 3.82Å; F260-R364 HydrophobicContact CD1-CG 4.09Å; F260-R364 HydrophobicContact CE1-CB 4.02Å; F260-R364 HydrophobicContact CE1-CG 3.5Å; F260-R364 HydrophobicContact CZ-CB 4.06Å; F260-R364 HydrophobicContact CZ-CG 3.81Å; F260-I365 HydrophobicContact CE2-CG1 3.81Å; F260-I365 HydrophobicContact CZ-CG1 3.95Å
261M92.8Very high92Very high111 Ų11141.6 Ų41.655%0.54721%0.211SC..  trans-77.7158.1173.4-57.9-62.3155.900110.8D263 E264 M265M261-D263 VanDerWaalsContact C-N 3.31Å; M261-D263 WeakPolarHBondContact CB-OD1 3.43Å; M261-D263 PolarHBondContact O-N 2.75Å; M261-E264 HydrophobicContact CB-CB 4.45Å; M261-E264 HydrophobicContact CB-CG 4.16Å; M261-E264 PolarHBondContact N-OE2 2.93Å; M261-E264 WeakPolarHBondContact O-CB 3.45Å; M261-E264 PolarHBondContact O-N 2.84Å; M261-M265 WeakPolarHBondContact O-CG 3.36Å; M261-M265 PolarHBondContact O-N 2.8Å
262E91Very high92Very high89 Ų8941.3 Ų41.342%0.41621%0.21SC..Hα-helixtrans-62.9-35.2-177.9-82.2-71.916100113.3R252 Q256 M265 Q266R252-E262 IonicContact CZ-OE1 3.43Å; R252-E262 IonicContact CZ-OE2 3.88Å; R252-E262 IonicContact NE-OE1 3.37Å; R252-E262 IonicContact NH2-OE1 3.7Å; R252-E262 PolarHBondContact NH2-OE1 3.21Å; R252-E262 IonicContact NH2-OE2 2.84Å; R252-E262 PolarHBondContact NH2-OE2 2.8Å; Q256-E262 PolarHBondContact NE2-OE1 3.13Å; E262-M265 HydrophobicContact CB-CE 4.34Å; E262-M265 HydrophobicContact CG-CE 3.84Å; E262-M265 WeakPolarHBondContact OE1-CE 3.41Å; E262-Q266 VanDerWaalsContact O-CB 3.27Å; E262-Q266 WeakPolarHBondContact O-CB 3.5Å; E262-Q266 PolarHBondContact O-N 2.97Å
263D91.3Very high92.1Very high111 Ų11137.2 Ų37.259%0.59419%0.194SC*.Hα-helixtrans-68.8-38.8173.161.9-42.6000112.5M261 Q266 S267M261-D263 VanDerWaalsContact C-N 3.31Å; M261-D263 WeakPolarHBondContact CB-OD1 3.43Å; M261-D263 PolarHBondContact O-N 2.75Å; D263-Q266 PolarHBondContact O-N 2.88Å; D263-S267 VanDerWaalsContact O-CB 3.32Å; D263-S267 WeakPolarHBondContact O-CB 3.48Å; D263-S267 PolarHBondContact O-N 3.27Å; D263-S267 PolarHBondContact O-OG 2.88Å
264E92.6Very high92.2Very high41 Ų4133.1 Ų33.119%0.19217%0.172CC..Hα-helixtrans-64.2-45.5172.9-67.5-179.2127.700111.1F260 M261 Q266 S267 V268 R364F260-E264 HydrophobicContact CD1-CB 4.44Å; M261-E264 HydrophobicContact CB-CB 4.45Å; M261-E264 HydrophobicContact CB-CG 4.16Å; M261-E264 PolarHBondContact N-OE2 2.93Å; M261-E264 WeakPolarHBondContact O-CB 3.45Å; M261-E264 PolarHBondContact O-N 2.84Å; E264-Q266 VanDerWaalsContact C-N 3.35Å; E264-Q266 PolarHBondContact O-N 2.9Å; E264-S267 WeakPolarHBondContact O-CB 3.47Å; E264-S267 PolarHBondContact O-N 3.18Å; E264-V268 VanDerWaalsContact O-CG2 3.31Å; E264-V268 WeakPolarHBondContact O-CG2 3.29Å; E264-V268 PolarHBondContact O-N 3.05Å; E264-R364 IonicContact OE1-CZ 2.72Å; E264-R364 IonicContact OE1-NE 3.36Å; E264-R364 PolarHBondContact OE1-NE 2.86Å; E264-R364 IonicContact OE1-NH2 3.63Å; E264-R364 PolarHBondContact OE1-NH2 2.87Å; E264-R364 IonicContact OE2-CZ 3.79Å; E264-R364 IonicContact OE2-NE 2.91Å; E264-R364 PolarHBondContact OE2-NE 2.88Å; E264-R364 IonicContact OE2-NH2 3.78Å; E264-R364 PolarHBondContact OE2-NH2 3.01Å
265M92.9Very high92.3Very high7 Ų733 Ų333%0.03417%0.172CC..Hα-helixtrans-62.2-43.9177-72.1-172.9-69.600111.4R252 M255 Q256 F260 M261 E262 V268 L269R252-M265 HydrophobicContact CG-SD 4.3Å; M255-M265 HydrophobicContact CB-CG 4.07Å; M255-M265 HydrophobicContact CB-SD 3.64Å; M255-M265 HydrophobicContact CE-CG 3.95Å; M255-M265 HydrophobicContact SD-CG 4.29Å; Q256-M265 HydrophobicContact CG-CE 3.54Å; Q256-M265 HydrophobicContact CG-SD 3.87Å; F260-M265 HydrophobicContact CB-CG 3.75Å; F260-M265 HydrophobicContact CB-SD 4.39Å; M261-M265 WeakPolarHBondContact O-CG 3.36Å; M261-M265 PolarHBondContact O-N 2.8Å; E262-M265 HydrophobicContact CB-CE 4.34Å; E262-M265 HydrophobicContact CG-CE 3.84Å; E262-M265 WeakPolarHBondContact OE1-CE 3.41Å; M265-V268 PolarHBondContact O-N 2.87Å; M265-L269 WeakPolarHBondContact O-CG 3.45Å; M265-L269 PolarHBondContact O-N 3.33Å
266Q92Very high92.4Very high47 Ų4732.7 Ų32.722%0.2217%0.17CC..Hα-helixtrans-60.8-45.9176.5-179.658.33800111.1E262 D263 E264 V268 L269 E270E262-Q266 VanDerWaalsContact O-CB 3.27Å; E262-Q266 WeakPolarHBondContact O-CB 3.5Å; E262-Q266 PolarHBondContact O-N 2.97Å; D263-Q266 PolarHBondContact O-N 2.88Å; E264-Q266 VanDerWaalsContact C-N 3.35Å; E264-Q266 PolarHBondContact O-N 2.9Å; Q266-V268 VanDerWaalsContact C-N 3.32Å; Q266-V268 PolarHBondContact O-N 2.97Å; Q266-L269 PolarHBondContact O-N 3.46Å; Q266-L269 VanDerWaalsContact O-N 3.13Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.44Å; Q266-E270 PolarHBondContact NE2-OE1 2.9Å; Q266-E270 WeakPolarHBondContact O-CG 3.5Å; Q266-E270 PolarHBondContact O-N 2.98Å
267S93.7Very high92.5Very high20 Ų2029 Ų2914%0.1415%0.152CC..Hα-helixtrans-57-41.8174.9-670000112.5D263 E264 E270 L271D263-S267 VanDerWaalsContact O-CB 3.32Å; D263-S267 WeakPolarHBondContact O-CB 3.48Å; D263-S267 PolarHBondContact O-N 3.27Å; D263-S267 PolarHBondContact O-OG 2.88Å; E264-S267 WeakPolarHBondContact O-CB 3.47Å; E264-S267 PolarHBondContact O-N 3.18Å; S267-E270 PolarHBondContact O-N 3.41Å; S267-L271 WeakPolarHBondContact O-CG 3.31Å; S267-L271 PolarHBondContact O-N 2.84Å; S267-L271 VanDerWaalsContact O-N 3.14Å
268V95.4Very high92.7Very high0 Ų025.4 Ų25.40%013%0.134CC..Hα-helixtrans-62.7-45.2176.3169.20000110.7F149 M255 E264 M265 Q266 E270 L271 V272 L357 W360 L361 L546F149-V268 HydrophobicContact CE1-CG1 4.05Å; F149-V268 HydrophobicContact CZ-CG1 3.56Å; M255-V268 HydrophobicContact CE-CB 4.45Å; M255-V268 HydrophobicContact CE-CG1 4.33Å; M255-V268 HydrophobicContact CE-CG2 4.33Å; E264-V268 VanDerWaalsContact O-CG2 3.31Å; E264-V268 WeakPolarHBondContact O-CG2 3.29Å; E264-V268 PolarHBondContact O-N 3.05Å; M265-V268 PolarHBondContact O-N 2.87Å; Q266-V268 VanDerWaalsContact C-N 3.32Å; Q266-V268 PolarHBondContact O-N 2.97Å; V268-E270 VanDerWaalsContact C-N 3.32Å; V268-E270 PolarHBondContact O-N 3.48Å; V268-L271 PolarHBondContact O-N 2.84Å; V268-V272 WeakPolarHBondContact O-CG2 3.42Å; V268-V272 PolarHBondContact O-N 3.34Å; V268-L357 HydrophobicContact CG1-CD1 4.3Å; V268-L357 HydrophobicContact CG1-CD2 4.42Å; V268-L357 HydrophobicContact CG2-CD1 4.15Å; V268-W360 HydrophobicContact CG2-CE3 4.39Å; V268-W360 HydrophobicContact CG2-CH2 4.42Å; V268-W360 HydrophobicContact CG2-CZ3 3.63Å; V268-L361 HydrophobicContact CG1-CD1 4.5Å; V268-L361 HydrophobicContact CG1-CD2 4.23Å; V268-L361 HydrophobicContact CG2-CD2 3.91Å; V268-L546 HydrophobicContact CG2-CD2 4.17Å
269L94.9Very high93Very high13 Ų1325.3 Ų25.37%0.06813%0.133CC..Hα-helixtrans-66.3-34.1178.7-63.4-178.8000112.5L208 L220 F248 M265 Q266 V272 A273L208-L269 HydrophobicContact CD1-CD1 4.41Å; L208-L269 HydrophobicContact CD1-CD2 4.05Å; L220-L269 HydrophobicContact CD1-CB 4.2Å; L220-L269 HydrophobicContact CD2-CB 4.41Å; F248-L269 HydrophobicContact CE2-CD2 4.06Å; F248-L269 HydrophobicContact CZ-CD1 4.02Å; F248-L269 HydrophobicContact CZ-CD2 4.29Å; M265-L269 WeakPolarHBondContact O-CG 3.45Å; M265-L269 PolarHBondContact O-N 3.33Å; Q266-L269 PolarHBondContact O-N 3.46Å; Q266-L269 VanDerWaalsContact O-N 3.13Å; L269-V272 PolarHBondContact O-N 3.43Å; L269-A273 WeakPolarHBondContact O-CB 3.32Å; L269-A273 PolarHBondContact O-N 3.39Å
270E94.1Very high93.3Very high42 Ų4225.1 Ų25.120%0.19613%0.126CC..Hα-helixtrans-61.3-42.7173-72.9168.8-175.200111.5L220 Q266 S267 V268 A273 A274 L309 H544L220-E270 HydrophobicContact CD2-CB 4.27Å; L220-E270 HydrophobicContact CD2-CG 3.57Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.44Å; Q266-E270 PolarHBondContact NE2-OE1 2.9Å; Q266-E270 WeakPolarHBondContact O-CG 3.5Å; Q266-E270 PolarHBondContact O-N 2.98Å; S267-E270 PolarHBondContact O-N 3.41Å; V268-E270 VanDerWaalsContact C-N 3.32Å; V268-E270 PolarHBondContact O-N 3.48Å; E270-A273 PolarHBondContact O-N 2.87Å; E270-A274 WeakPolarHBondContact O-CB 3.34Å; E270-A274 PolarHBondContact O-N 3.45Å; E270-L309 HydrophobicContact CB-CD1 4.34Å; E270-L309 HydrophobicContact CB-CD2 4.47Å; E270-L309 HydrophobicContact CB-CG 4.28Å; E270-L309 HydrophobicContact CG-CD1 3.97Å; E270-L309 HydrophobicContact CG-CG 4.45Å; E270-L309 WeakPolarHBondContact O-CD2 3.49Å; E270-H544 IonicContact OE2-CD2 2.75Å; E270-H544 IonicContact OE2-NE2 3.27Å; E270-H544 PolarHBondContact OE2-NE2 3.41Å
271L94.4Very high93.3Very high0 Ų024.9 Ų24.90%013%0.125CC..Hα-helixtrans-69.3-36.4175.3-61.8-167.5000113.1S267 V268 A273 A274 V275 L310 L353 L357 L546 I547 L550S267-L271 WeakPolarHBondContact O-CG 3.31Å; S267-L271 PolarHBondContact O-N 2.84Å; S267-L271 VanDerWaalsContact O-N 3.14Å; V268-L271 PolarHBondContact O-N 2.84Å; L271-A273 VanDerWaalsContact C-N 3.34Å; L271-A274 PolarHBondContact O-N 2.86Å; L271-V275 WeakPolarHBondContact O-CG2 3.48Å; L271-V275 PolarHBondContact O-N 2.91Å; L271-L310 HydrophobicContact CD2-CD2 3.7Å; L271-L353 HydrophobicContact CD1-CD1 4.35Å; L271-L357 HydrophobicContact CB-CD2 3.88Å; L271-L357 HydrophobicContact CD1-CD1 4.14Å; L271-L546 HydrophobicContact CD1-CB 4.27Å; L271-L546 HydrophobicContact CD1-CD2 3.59Å; L271-L546 HydrophobicContact CD1-CG 3.7Å; L271-L546 HydrophobicContact CG-CD2 4.32Å; L271-I547 HydrophobicContact CD1-CG1 4.25Å; L271-I547 HydrophobicContact CD2-CD1 3.63Å; L271-I547 HydrophobicContact CD2-CG1 3.36Å; L271-I547 HydrophobicContact CG-CG1 4.43Å; L271-L550 HydrophobicContact CD1-CD1 3.57Å
272V95.6Very high93.3Very high0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-62.8-43.5172.91750000110.7F149 I204 F205 L208 V268 L269 A274 V275 L276 L357F149-V272 HydrophobicContact CE1-CG2 3.62Å; F149-V272 HydrophobicContact CZ-CG2 4.12Å; I204-V272 HydrophobicContact CG1-CG1 4.33Å; I204-V272 HydrophobicContact CG1-CG2 4.31Å; F205-V272 HydrophobicContact CD1-CG1 3.7Å; F205-V272 HydrophobicContact CE1-CG1 3.71Å; L208-V272 HydrophobicContact CD2-CB 4.24Å; L208-V272 HydrophobicContact CD2-CG1 3.72Å; V268-V272 WeakPolarHBondContact O-CG2 3.42Å; V268-V272 PolarHBondContact O-N 3.34Å; L269-V272 PolarHBondContact O-N 3.43Å; V272-A274 VanDerWaalsContact C-N 3.35Å; V272-A274 PolarHBondContact O-N 2.8Å; V272-V275 PolarHBondContact O-N 2.89Å; V272-L276 PolarHBondContact O-N 2.86Å; V272-L276 VanDerWaalsContact O-N 3.11Å; V272-L357 HydrophobicContact CG2-CD2 4.03Å
273A94.9Very high93.4Very high0 Ų019.2 Ų19.20%010%0.097CC..Hα-helixtrans-62.3-41.3175.600000112L220 L222 L269 E270 L271 L276 K277 L309L220-A273 HydrophobicContact CB-CB 3.95Å; L220-A273 HydrophobicContact CD2-CB 4.13Å; L220-A273 HydrophobicContact CG-CB 4.43Å; L222-A273 HydrophobicContact CD1-CB 3.72Å; L222-A273 HydrophobicContact CD2-CB 4.11Å; L222-A273 HydrophobicContact CG-CB 3.97Å; L269-A273 WeakPolarHBondContact O-CB 3.32Å; L269-A273 PolarHBondContact O-N 3.39Å; E270-A273 PolarHBondContact O-N 2.87Å; L271-A273 VanDerWaalsContact C-N 3.34Å; A273-L276 PolarHBondContact O-N 3.48Å; A273-K277 PolarHBondContact O-N 3.32Å; A273-L309 HydrophobicContact CB-CD2 4Å
274A93.6Very high93.4Very high0 Ų018.3 Ų18.30%09%0.088CC..Hα-helixtrans-64.4-42.4176.800000112.9E270 L271 V272 L276 K277 L278 M306 L309 L310E270-A274 WeakPolarHBondContact O-CB 3.34Å; E270-A274 PolarHBondContact O-N 3.45Å; L271-A274 PolarHBondContact O-N 2.86Å; V272-A274 VanDerWaalsContact C-N 3.35Å; V272-A274 PolarHBondContact O-N 2.8Å; A274-L276 VanDerWaalsContact C-N 3.26Å; A274-L276 PolarHBondContact O-N 3.09Å; A274-K277 PolarHBondContact O-N 3.06Å; A274-L278 WeakPolarHBondContact O-CB 3.42Å; A274-L278 WeakPolarHBondContact O-CG 3.46Å; A274-L278 PolarHBondContact O-N 2.8Å; A274-M306 HydrophobicContact CB-CG 4.31Å; A274-L309 HydrophobicContact CB-CD2 4.28Å; A274-L310 HydrophobicContact CB-CD1 4.22Å; A274-L310 HydrophobicContact CB-CD2 3.6Å; A274-L310 HydrophobicContact CB-CG 4.19Å
275V94.9Very high93.1Very high0 Ų020.7 Ų20.70%011%0.107CC..Hα-helixtrans-58.7-41.5173.6170.90000110.8V192 F205 Y231 L271 V272 A350 L353 Y354V192-V275 HydrophobicContact CG1-CG1 3.55Å; F205-V275 HydrophobicContact CE1-CB 4.36Å; F205-V275 HydrophobicContact CE1-CG1 4.08Å; F205-V275 HydrophobicContact CZ-CB 4.49Å; F205-V275 HydrophobicContact CZ-CG1 3.82Å; Y231-V275 WeakPolarHBondContact CD2-O 3.32Å; Y231-V275 VanDerWaalsContact CE2-O 3.3Å; Y231-V275 WeakPolarHBondContact CE2-O 3.45Å; L271-V275 WeakPolarHBondContact O-CG2 3.48Å; L271-V275 PolarHBondContact O-N 2.91Å; V272-V275 PolarHBondContact O-N 2.89Å; V275-A350 HydrophobicContact CG1-CB 4.4Å; V275-L353 HydrophobicContact CG2-CB 4.17Å; V275-L353 HydrophobicContact CG2-CD2 3.66Å; V275-L353 HydrophobicContact CG2-CG 3.83Å; V275-Y354 HydrophobicContact CG1-CD2 4.42Å
276L93.6Very high92.7Very high2 Ų223.7 Ų23.71%0.0112%0.12CC..Hα-helixtrans-68.3-42.8-179.6-170.462.7000112.1F205 L209 L222 Y229 L232 V272 A273 A274 G279F205-L276 HydrophobicContact CD1-CB 4.29Å; F205-L276 HydrophobicContact CD1-CD1 4.2Å; F205-L276 HydrophobicContact CE1-CB 4.33Å; L209-L276 HydrophobicContact CD1-CD2 4.07Å; L209-L276 HydrophobicContact CD2-CD2 4.32Å; L209-L276 HydrophobicContact CG-CD2 4.41Å; L222-L276 HydrophobicContact CD2-CD2 4.15Å; Y229-L276 HydrophobicContact CD1-CD1 4.14Å; Y229-L276 HydrophobicContact CD1-CD2 3.74Å; Y229-L276 HydrophobicContact CD1-CG 3.46Å; Y229-L276 VanDerWaalsContact CD1-CG 3.46Å; Y229-L276 HydrophobicContact CD2-CD2 3.95Å; Y229-L276 HydrophobicContact CD2-CG 4.35Å; Y229-L276 HydrophobicContact CE1-CD2 3.78Å; Y229-L276 HydrophobicContact CE1-CG 3.91Å; Y229-L276 HydrophobicContact CE2-CD2 4.01Å; Y229-L276 HydrophobicContact CG-CD1 3.9Å; Y229-L276 HydrophobicContact CG-CD2 3.79Å; Y229-L276 HydrophobicContact CG-CG 3.69Å; L232-L276 HydrophobicContact CD1-CD1 3.68Å; L232-L276 HydrophobicContact CD1-CD2 4.19Å; L232-L276 HydrophobicContact CD2-CD1 4.25Å; L232-L276 HydrophobicContact CG-CD1 3.68Å; V272-L276 PolarHBondContact O-N 2.86Å; V272-L276 VanDerWaalsContact O-N 3.11Å; A273-L276 PolarHBondContact O-N 3.48Å; A274-L276 VanDerWaalsContact C-N 3.26Å; A274-L276 PolarHBondContact O-N 3.09Å; L276-G279 PolarHBondContact O-N 3.22Å
277K91.9Very high91.7Very high10 Ų1026.4 Ų26.44%0.04315%0.145CC..Hα-helixtrans-68.4-32.7176.2-78.1-164.5157.1-75.50114K221 L222 A273 A274 G279 N280 D302 E305K221-K277 WeakPolarHBondContact O-CE 3.39Å; K221-K277 PolarHBondContact O-NZ 3.44Å; L222-K277 HydrophobicContact CD2-CG 4.31Å; A273-K277 PolarHBondContact O-N 3.32Å; A274-K277 PolarHBondContact O-N 3.06Å; K277-G279 PolarHBondContact O-N 3.12Å; K277-G279 VanDerWaalsContact O-N 3.15Å; K277-N280 PolarHBondContact O-N 3.36Å; K277-D302 IonicContact NZ-OD1 2.79Å; K277-D302 PolarHBondContact NZ-OD1 2.84Å; K277-E305 HydrophobicContact CD-CB 4.47Å; K277-E305 WeakPolarHBondContact CE-OE2 3.49Å; K277-E305 IonicContact NZ-OE2 2.79Å; K277-E305 PolarHBondContact NZ-OE2 3.35Å
278L92.1Very high90.3Very high1 Ų131 Ų311%0.00516%0.159CC..Hα-helixtrans-53.3-36175.7-88167.5000111.8A274 N280 I281 M306 F321 R346 L349 A350 L353A274-L278 WeakPolarHBondContact O-CB 3.42Å; A274-L278 WeakPolarHBondContact O-CG 3.46Å; A274-L278 PolarHBondContact O-N 2.8Å; L278-N280 PolarHBondContact O-N 3.14Å; L278-I281 HydrophobicContact CD2-CD1 4.06Å; L278-I281 PolarHBondContact O-N 3.44Å; L278-M306 HydrophobicContact CD1-SD 4.41Å; L278-M306 HydrophobicContact CD2-CE 4.24Å; L278-M306 HydrophobicContact CD2-SD 3.44Å; L278-M306 WeakPolarHBondContact CD2-SD 3.4Å; L278-M306 HydrophobicContact CG-SD 3.53Å; L278-M306 VanDerWaalsContact CG-SD 3.53Å; L278-F321 HydrophobicContact CD2-CE2 4.48Å; L278-F321 HydrophobicContact CD2-CZ 3.8Å; L278-R346 WeakPolarHBondContact O-CD 3.3Å; L278-R346 WeakPolarHBondContact O-CG 3.41Å; L278-L349 HydrophobicContact CD1-CD2 4.16Å; L278-L349 HydrophobicContact CD1-CG 4.14Å; L278-L349 HydrophobicContact CD2-CD2 4.02Å; L278-A350 HydrophobicContact CB-CB 4.36Å; L278-A350 HydrophobicContact CD1-CB 4.2Å; L278-L353 HydrophobicContact CD1-CD2 4.31Å
279G91.9Very high88.4Confident0 Ų037.6 Ų37.60%020%0.203CC..THydrogen-bonded Turntrans-66.3-19.1179.900000115.1N230 Y231 L276 K277 R346N230-G279 WeakPolarHBondContact CB-O 3.41Å; N230-G279 PolarHBondContact ND2-O 3.47Å; Y231-G279 VanDerWaalsContact CE1-CA 3.48Å; Y231-G279 VanDerWaalsContact CE2-CA 3.42Å; L276-G279 PolarHBondContact O-N 3.22Å; K277-G279 PolarHBondContact O-N 3.12Å; K277-G279 VanDerWaalsContact O-N 3.15Å; G279-R346 PolarHBondContact O-NH1 3.02Å
280N93.5Very high86.6Confident26 Ų2643.3 Ų43.314%0.13923%0.234CC..THydrogen-bonded Turntrans-85.9-9.8-179.7-68.2-1.4000113K228 Y229 N230 K277 L278 E282 D302K228-N280 PolarHBondContact O-ND2 2.76Å; K228-N280 PolarHBondContact O-OD1 3.01Å; Y229-N280 WeakPolarHBondContact CA-OD1 3.35Å; N230-N280 PolarHBondContact N-OD1 2.87Å; N230-N280 VanDerWaalsContact N-OD1 3.14Å; K277-N280 PolarHBondContact O-N 3.36Å; L278-N280 PolarHBondContact O-N 3.14Å; N280-E282 PolarHBondContact O-N 2.88Å; N280-D302 HydrophobicContact CB-CB 4.37Å; N280-D302 WeakPolarHBondContact CB-OD2 3.48Å
281I93Very high85Confident2 Ų244.7 Ų44.71%0.0126%0.259CS..  trans-70.7117.8175.8-57.7178.1000109.1L278 F283 I297 L303 F321 R346L278-I281 HydrophobicContact CD2-CD1 4.06Å; L278-I281 PolarHBondContact O-N 3.44Å; I281-F283 HydrophobicContact CG2-CE1 4.14Å; I281-F283 HydrophobicContact CG2-CE2 4.25Å; I281-F283 HydrophobicContact CG2-CZ 3.82Å; I281-I297 HydrophobicContact CG2-CD1 4.25Å; I281-I297 HydrophobicContact CG2-CG1 4.21Å; I281-I297 HydrophobicContact CG2-CG2 4.1Å; I281-L303 HydrophobicContact CD1-CB 4.39Å; I281-L303 HydrophobicContact CD1-CD1 4.01Å; I281-F321 HydrophobicContact CD1-CE2 4.08Å; I281-R346 WeakPolarHBondContact O-CD 3.17Å; I281-R346 PolarHBondContact O-NH1 2.78Å
282E92.5Very high83.6Confident71 Ų7151 Ų5133%0.33229%0.291SS..  trans-106.6147.8174.6-68.1-174175.500111.4N280 K298N280-E282 PolarHBondContact O-N 2.88Å; E282-K298 HydrophobicContact CB-CB 4.09Å; E282-K298 HydrophobicContact CB-CD 4.08Å; E282-K298 WeakPolarHBondContact O-CB 3.34Å; E282-K298 PolarHBondContact O-N 2.85Å; E282-K298 WeakPolarHBondContact OE2-CD 3.19Å; E282-K298 IonicContact OE2-NZ 3.93Å; E282-K298 PolarHBondContact OE2-NZ 3.11Å
283F92.3Very high82.4Confident11 Ų1156.2 Ų56.25%0.04832%0.318CS..EExtended strand (participates in β ladder)trans-116.4146.1178.5-56.5-81.8000111.1I281 R296 I297 F321 V339 A342 Y343 R346I281-F283 HydrophobicContact CG2-CE1 4.14Å; I281-F283 HydrophobicContact CG2-CE2 4.25Å; I281-F283 HydrophobicContact CG2-CZ 3.82Å; F283-R296 CarbonylContact C-O 3.41Å; F283-R296 WeakPolarHBondContact CA-O 3.47Å; F283-I297 HydrophobicContact CD1-CG1 3.79Å; F283-I297 HydrophobicContact CE1-CD1 4.21Å; F283-I297 HydrophobicContact CE1-CG1 3.51Å; F283-F321 HydrophobicContact CE1-CB 3.75Å; F283-F321 HydrophobicContact CE1-CG 4.27Å; F283-F321 HydrophobicContact CZ-CB 3.94Å; F283-F321 HydrophobicContact CZ-CD1 4.32Å; F283-F321 HydrophobicContact CZ-CG 4.03Å; F283-V339 HydrophobicContact CB-CG1 4.2Å; F283-A342 HydrophobicContact CB-CB 4.39Å; F283-A342 HydrophobicContact CD1-CB 3.76Å; F283-A342 HydrophobicContact CD2-CB 3.84Å; F283-A342 HydrophobicContact CE1-CB 3.9Å; F283-A342 HydrophobicContact CE2-CB 3.99Å; F283-A342 WeakPolarHBondContact CE2-O 3.48Å; F283-A342 HydrophobicContact CG-CB 3.73Å; F283-A342 HydrophobicContact CZ-CB 4.02Å; F283-Y343 HydrophobicContact CB-CE2 4.2Å; F283-Y343 AromaticContact CD2-CD1 3.75Å; F283-Y343 HydrophobicContact CD2-CD1 3.75Å; F283-Y343 HydrophobicContact CD2-CD2 4.24Å; F283-Y343 AromaticContact CD2-CE1 3.78Å; F283-Y343 HydrophobicContact CD2-CE1 3.78Å; F283-Y343 HydrophobicContact CD2-CE2 4.27Å; F283-Y343 AromaticContact CD2-CG 3.98Å; F283-Y343 HydrophobicContact CD2-CG 3.98Å; F283-Y343 HydrophobicContact CE2-CD1 4.17Å; F283-Y343 HydrophobicContact CE2-CE1 4.46Å; F283-Y343 PolarHBondContact N-OH 3.26Å; F283-Y343 VanDerWaalsContact N-OH 3.09Å; F283-Y343 PolarHBondContact O-OH 3.4Å; F283-R346 HydrophobicContact CE2-CB 3.94Å; F283-R346 HydrophobicContact CE2-CG 4.48Å; F283-R346 HydrophobicContact CZ-CB 4.22Å
284K90.6Very high81.8Confident92 Ų9256.8 Ų56.840%0.432%0.321SS..EExtended strand (participates in β ladder)trans-123.7150.6173.264.7-179.6-179.4-178.10110.3R296K284-R296 PolarHBondContact N-O 2.96Å; K284-R296 PolarHBondContact O-N 3.41Å
285P87.6Confident81.5Confident91 Ų9156.9 Ų56.959%0.59132%0.322SS*.EExtended strand (participates in β ladder)trans-70.4144.2174.529-33000110.7E294 V339P285-E294 CarbonylContact C-O 3.6Å; P285-E294 WeakPolarHBondContact CA-O 3.2Å; P285-V339 HydrophobicContact CB-CG2 3.89Å
286E83.4Confident81.1Confident69 Ų6961.6 Ų61.632%0.32234%0.339SS..EExtended strand (participates in β ladder)trans-129.4123.1172.3-169.8165.4-131.900108.8E294 R296E286-E294 PolarHBondContact N-O 2.91Å; E286-E294 PolarHBondContact O-N 3.5Å; E286-E294 VanDerWaalsContact O-N 3.08Å; E286-R296 HydrophobicContact CB-CB 4.35Å; E286-R296 WeakPolarHBondContact OE1-CD 3.12Å; E286-R296 IonicContact OE1-CZ 3.1Å; E286-R296 IonicContact OE1-NH1 2.78Å; E286-R296 PolarHBondContact OE1-NH1 3.15Å; E286-R296 WeakPolarHBondContact OE2-CD 3.28Å
287S71.3Confident81Confident105 Ų10561.7 Ų61.773%0.73434%0.34SS*.EExtended strand (participates in β ladder)trans-88.9123.4-177.7-57.30000110.5
288R64.2Low80.9Confident116 Ų11667.1 Ų67.144%0.43836%0.364SS..  trans-85.4159.2165.2-72.1-166.5-177-158.90.9111.2N290 G291 E294 Y323R288-N290 PolarHBondContact O-N 3.17Å; R288-G291 PolarHBondContact O-N 2.94Å; R288-E294 IonicContact CZ-OE2 2.62Å; R288-E294 IonicContact NE-OE2 3.2Å; R288-E294 PolarHBondContact NE-OE2 2.86Å; R288-E294 IonicContact NH2-OE1 3.66Å; R288-E294 PolarHBondContact NH2-OE1 3.32Å; R288-E294 IonicContact NH2-OE2 2.9Å; R288-E294 PolarHBondContact NH2-OE2 2.83Å; R288-Y323 PolarHBondContact NH2-OH 3.16Å
289C55.7Low80.7Confident138 Ų13871 Ų7193%0.93238%0.384SS*.THydrogen-bonded Turntrans-55.5-13173.7-46.90000114.2
290N56.8Low80.5Confident133 Ų13374.6 Ų74.671%0.71140%0.4SS*.THydrogen-bonded Turntrans-101.41.8-170.1-45.421.9000112.9R288 M292R288-N290 PolarHBondContact O-N 3.17Å; N290-M292 VanDerWaalsContact C-N 3.31Å; N290-M292 PolarHBondContact O-N 3.45Å
291G61.8Low80.4Confident71 Ų7178 Ų7873%0.73242%0.418SS*.SBendtrans74.510179.100000116R288R288-G291 PolarHBondContact O-N 2.94Å
292M64.7Low80.1Confident133 Ų13379.5 Ų79.566%0.65543%0.426SS*.  trans-95.5130.3170.5-71.2-171.6178.800110.6N290N290-M292 VanDerWaalsContact C-N 3.31Å; N290-M292 PolarHBondContact O-N 3.45Å
293D69.6Low79.9Confident109 Ų10976.1 Ų76.158%0.58341%0.41SS*.EExtended strand (participates in β ladder)trans-75.9122.3177.8-66.7-28.4000111.3
294E82.9Confident79.9Confident13 Ų1380.8 Ų80.86%0.06143%0.431CS..EExtended strand (participates in β ladder)trans-105.7151.5172.9-176.8172.3-174.300110.2P285 E286 R288 Y323 T336P285-E294 CarbonylContact C-O 3.6Å; P285-E294 WeakPolarHBondContact CA-O 3.2Å; E286-E294 PolarHBondContact N-O 2.91Å; E286-E294 PolarHBondContact O-N 3.5Å; E286-E294 VanDerWaalsContact O-N 3.08Å; R288-E294 IonicContact CZ-OE2 2.62Å; R288-E294 IonicContact NE-OE2 3.2Å; R288-E294 PolarHBondContact NE-OE2 2.86Å; R288-E294 IonicContact NH2-OE1 3.66Å; R288-E294 PolarHBondContact NH2-OE1 3.32Å; R288-E294 IonicContact NH2-OE2 2.9Å; R288-E294 PolarHBondContact NH2-OE2 2.83Å; E294-Y323 PolarHBondContact OE1-OH 3.11Å; E294-T336 HydrophobicContact CB-CG2 4.46Å; E294-T336 HydrophobicContact CG-CG2 4Å
295S87.4Confident79.8Confident1 Ų179.5 Ų79.51%0.00743%0.426CS..EExtended strand (participates in β ladder)trans-97.5140.7170.756.20000111.1S322 L337 A342S295-S322 WeakPolarHBondContact O-CB 3.5Å; S295-S322 PolarHBondContact O-OG 2.8Å; S295-L337 VanDerWaalsContact CB-O 3.29Å; S295-L337 WeakPolarHBondContact CB-O 3.5Å; S295-L337 PolarHBondContact N-O 3.46Å; S295-L337 PolarHBondContact OG-O 3.24Å; S295-A342 WeakPolarHBondContact OG-CB 3.42Å
296R87.4Confident79.9Confident99 Ų9975.2 Ų75.237%0.37440%0.398SS..EExtended strand (participates in β ladder)trans-135.3146.2172.5-174.9165.1175.9-162.16.7111.1F283 K284 E286F283-R296 CarbonylContact C-O 3.41Å; F283-R296 WeakPolarHBondContact CA-O 3.47Å; K284-R296 PolarHBondContact N-O 2.96Å; K284-R296 PolarHBondContact O-N 3.41Å; E286-R296 HydrophobicContact CB-CB 4.35Å; E286-R296 WeakPolarHBondContact OE1-CD 3.12Å; E286-R296 IonicContact OE1-CZ 3.1Å; E286-R296 IonicContact OE1-NH1 2.78Å; E286-R296 PolarHBondContact OE1-NH1 3.15Å; E286-R296 WeakPolarHBondContact OE2-CD 3.28Å
297I90.3Very high80.1Confident4 Ų472.3 Ų72.32%0.02139%0.385CS..EExtended strand (participates in β ladder)trans-68.2134.8177.8-63.9176.3000110.2I281 F283 D299 L303 E318 F321I281-I297 HydrophobicContact CG2-CD1 4.25Å; I281-I297 HydrophobicContact CG2-CG1 4.21Å; I281-I297 HydrophobicContact CG2-CG2 4.1Å; F283-I297 HydrophobicContact CD1-CG1 3.79Å; F283-I297 HydrophobicContact CE1-CD1 4.21Å; F283-I297 HydrophobicContact CE1-CG1 3.51Å; I297-D299 WeakPolarHBondContact CG2-O 3.41Å; I297-L303 HydrophobicContact CD1-CD2 3.66Å; I297-E318 HydrophobicContact CD1-CB 4.29Å; I297-E318 HydrophobicContact CD1-CG 4.03Å; I297-F321 HydrophobicContact CD1-CD2 4.23Å
298K89.4Confident81Confident125 Ų12572.4 Ų72.454%0.54337%0.374SS..SBendtrans-77.4-55.9-176.9-175.6-175.8172.3-172.40112.2E282E282-K298 HydrophobicContact CB-CB 4.09Å; E282-K298 HydrophobicContact CB-CD 4.08Å; E282-K298 WeakPolarHBondContact O-CB 3.34Å; E282-K298 PolarHBondContact O-N 2.85Å; E282-K298 WeakPolarHBondContact OE2-CD 3.19Å; E282-K298 IonicContact OE2-NZ 3.93Å; E282-K298 PolarHBondContact OE2-NZ 3.11Å
299D88.1Confident82.1Confident82 Ų8268.2 Ų68.244%0.43936%0.36SS..  trans-118.8133.8173.6-172.12.4000110.2I297 N301I297-D299 WeakPolarHBondContact CG2-O 3.41Å; D299-N301 VanDerWaalsContact OD1-CG 3.28Å; D299-N301 PolarHBondContact OD1-N 3.25Å; D299-N301 PolarHBondContact OD1-ND2 2.86Å; D299-N301 PolarHBondContact OD2-ND2 3.19Å
300K88.9Confident83.6Confident76 Ų7661.7 Ų61.733%0.3332%0.316SS..  trans-95.5-6.2-177.8-67-167.8-179.9-151.40113.4L303 K304 E318K300-L303 PolarHBondContact O-N 3.49Å; K300-K304 VanDerWaalsContact O-CB 3.28Å; K300-K304 WeakPolarHBondContact O-CB 3.43Å; K300-K304 PolarHBondContact O-N 2.9Å; K300-E318 WeakPolarHBondContact CE-OE1 3.26Å; K300-E318 IonicContact NZ-OE1 2.8Å; K300-E318 PolarHBondContact NZ-OE1 3.32Å; K300-E318 IonicContact NZ-OE2 3.25Å; K300-E318 PolarHBondContact NZ-OE2 2.82Å
301N90Very high85.1Confident98 Ų9857 Ų5752%0.52430%0.3SS..Hα-helixtrans-61.7-56-177.4-68.5-38.1000112.3D299 L303 K304 E305D299-N301 VanDerWaalsContact OD1-CG 3.28Å; D299-N301 PolarHBondContact OD1-N 3.25Å; D299-N301 PolarHBondContact OD1-ND2 2.86Å; D299-N301 PolarHBondContact OD2-ND2 3.19Å; N301-L303 VanDerWaalsContact C-N 3.29Å; N301-L303 PolarHBondContact O-N 2.92Å; N301-K304 WeakPolarHBondContact O-CB 3.37Å; N301-K304 PolarHBondContact O-N 2.81Å; N301-K304 VanDerWaalsContact O-N 3.09Å; N301-E305 PolarHBondContact O-N 3.09Å
302D87.4Confident86.3Confident32 Ų3254.6 Ų54.617%0.17127%0.27CS..Hα-helixtrans-61.7-37.3178.3-80.3-59.9000112.3K277 N280 M306K277-D302 IonicContact NZ-OD1 2.79Å; K277-D302 PolarHBondContact NZ-OD1 2.84Å; N280-D302 HydrophobicContact CB-CB 4.37Å; N280-D302 WeakPolarHBondContact CB-OD2 3.48Å; D302-M306 VanDerWaalsContact O-CB 3.24Å; D302-M306 WeakPolarHBondContact O-CB 3.5Å; D302-M306 PolarHBondContact O-N 2.81Å
303L89.1Confident87.5Confident0 Ų054.4 Ų54.40%027%0.268CS..Hα-helixtrans-62-44.1174178.571.1000111.1I281 I297 K300 N301 M306 C307 Q314 L317 E318 F321I281-L303 HydrophobicContact CD1-CB 4.39Å; I281-L303 HydrophobicContact CD1-CD1 4.01Å; I297-L303 HydrophobicContact CD1-CD2 3.66Å; K300-L303 PolarHBondContact O-N 3.49Å; N301-L303 VanDerWaalsContact C-N 3.29Å; N301-L303 PolarHBondContact O-N 2.92Å; L303-M306 HydrophobicContact CD1-CE 3.75Å; L303-M306 PolarHBondContact O-N 2.87Å; L303-C307 WeakPolarHBondContact O-CB 3.32Å; L303-C307 PolarHBondContact O-N 2.96Å; L303-C307 PolarHBondContact O-SG 2.66Å; L303-Q314 HydrophobicContact CD2-CG 3.73Å; L303-Q314 HydrophobicContact CG-CG 4.09Å; L303-L317 HydrophobicContact CD1-CB 4.49Å; L303-L317 HydrophobicContact CD1-CD2 4.12Å; L303-L317 HydrophobicContact CD1-CG 4.17Å; L303-E318 HydrophobicContact CD2-CB 4.07Å; L303-F321 HydrophobicContact CD1-CE2 4.3Å
304K90.6Very high88.5Confident109 Ų10951.8 Ų51.847%0.47425%0.252SS..Hα-helixtrans-64.3-49.4179.6-178.8-176.8173.8-172.40111.1K300 N301 M306 C307 E308K300-K304 VanDerWaalsContact O-CB 3.28Å; K300-K304 WeakPolarHBondContact O-CB 3.43Å; K300-K304 PolarHBondContact O-N 2.9Å; N301-K304 WeakPolarHBondContact O-CB 3.37Å; N301-K304 PolarHBondContact O-N 2.81Å; N301-K304 VanDerWaalsContact O-N 3.09Å; K304-M306 VanDerWaalsContact C-N 3.29Å; K304-M306 PolarHBondContact O-N 3.43Å; K304-C307 PolarHBondContact O-N 3.38Å; K304-C307 VanDerWaalsContact O-N 3.14Å; K304-E308 VanDerWaalsContact CE-OE1 3.24Å; K304-E308 WeakPolarHBondContact CE-OE1 3.44Å; K304-E308 WeakPolarHBondContact O-CG 3.29Å; K304-E308 PolarHBondContact O-N 2.9Å
305E90.2Very high88.7Confident66 Ų6654 Ų5431%0.30827%0.269SS..Hα-helixtrans-60.3-40.1178.4-70.6-176.4166.200112.1K221 K277 N301 E308 L309K221-E305 HydrophobicContact CB-CB 4.37Å; K221-E305 HydrophobicContact CG-CB 4.35Å; K277-E305 HydrophobicContact CD-CB 4.47Å; K277-E305 WeakPolarHBondContact CE-OE2 3.49Å; K277-E305 IonicContact NZ-OE2 2.79Å; K277-E305 PolarHBondContact NZ-OE2 3.35Å; N301-E305 PolarHBondContact O-N 3.09Å; E305-E308 PolarHBondContact O-N 3.42Å; E305-L309 WeakPolarHBondContact O-CB 3.41Å; E305-L309 PolarHBondContact O-N 3.49Å
306M87.9Confident88.8Confident1 Ų156.1 Ų56.11%0.00528%0.282CS..Hα-helixtrans-68-40.1175-178.6-159.470.200111.7A274 L278 D302 L303 K304 E308 L309 L310 L317A274-M306 HydrophobicContact CB-CG 4.31Å; L278-M306 HydrophobicContact CD1-SD 4.41Å; L278-M306 HydrophobicContact CD2-CE 4.24Å; L278-M306 HydrophobicContact CD2-SD 3.44Å; L278-M306 WeakPolarHBondContact CD2-SD 3.4Å; L278-M306 HydrophobicContact CG-SD 3.53Å; L278-M306 VanDerWaalsContact CG-SD 3.53Å; D302-M306 VanDerWaalsContact O-CB 3.24Å; D302-M306 WeakPolarHBondContact O-CB 3.5Å; D302-M306 PolarHBondContact O-N 2.81Å; L303-M306 HydrophobicContact CD1-CE 3.75Å; L303-M306 PolarHBondContact O-N 2.87Å; K304-M306 VanDerWaalsContact C-N 3.29Å; K304-M306 PolarHBondContact O-N 3.43Å; M306-E308 VanDerWaalsContact C-N 3.32Å; M306-E308 PolarHBondContact O-N 3.02Å; M306-L309 PolarHBondContact O-N 3.26Å; M306-L310 HydrophobicContact CG-CD1 3.84Å; M306-L310 HydrophobicContact CG-CG 4.27Å; M306-L310 WeakPolarHBondContact O-CG 3.45Å; M306-L310 PolarHBondContact O-N 2.91Å; M306-L310 HydrophobicContact SD-CD1 4.32Å; M306-L317 HydrophobicContact CE-CD2 3.09Å; M306-L317 HydrophobicContact CE-CG 4.28Å
307C89.4Confident88.9Confident7 Ų751.4 Ų51.45%0.04726%0.264CS..Hα-helixtrans-62.8-38.2174.9-79.30000112.5L303 K304 G311 T312 Q314L303-C307 WeakPolarHBondContact O-CB 3.32Å; L303-C307 PolarHBondContact O-N 2.96Å; L303-C307 PolarHBondContact O-SG 2.66Å; K304-C307 PolarHBondContact O-N 3.38Å; K304-C307 VanDerWaalsContact O-N 3.14Å; C307-G311 WeakPolarHBondContact O-CA 3.33Å; C307-G311 PolarHBondContact O-N 3.5Å; C307-T312 WeakPolarHBondContact CA-OG1 3.35Å; C307-T312 WeakPolarHBondContact CB-O 3.48Å; C307-T312 PolarHBondContact O-N 2.89Å; C307-T312 PolarHBondContact SG-OG1 3.46Å; C307-T312 VanDerWaalsContact SG-OG1 3.41Å; C307-Q314 HydrophobicContact CB-CB 4.47Å
308E89.4Confident88.9Confident108 Ų10852.9 Ų52.951%0.50527%0.271SS..Hα-helixtrans-61.7-44.3171.4-72.3175.1-169.900111.5K304 E305 M306 G311K304-E308 VanDerWaalsContact CE-OE1 3.24Å; K304-E308 WeakPolarHBondContact CE-OE1 3.44Å; K304-E308 WeakPolarHBondContact O-CG 3.29Å; K304-E308 PolarHBondContact O-N 2.9Å; E305-E308 PolarHBondContact O-N 3.42Å; M306-E308 VanDerWaalsContact C-N 3.32Å; M306-E308 PolarHBondContact O-N 3.02Å; E308-G311 PolarHBondContact O-N 3.46Å
309L87.9Confident88.8Confident27 Ų2754 Ų5414%0.14127%0.272CS..Hα-helixtrans-65.9-42.7179.9-166.669.5000112.8E270 A273 A274 E305 M306E270-L309 HydrophobicContact CB-CD1 4.34Å; E270-L309 HydrophobicContact CB-CD2 4.47Å; E270-L309 HydrophobicContact CB-CG 4.28Å; E270-L309 HydrophobicContact CG-CD1 3.97Å; E270-L309 HydrophobicContact CG-CG 4.45Å; E270-L309 WeakPolarHBondContact O-CD2 3.49Å; A273-L309 HydrophobicContact CB-CD2 4Å; A274-L309 HydrophobicContact CB-CD2 4.28Å; E305-L309 WeakPolarHBondContact O-CB 3.41Å; E305-L309 PolarHBondContact O-N 3.49Å; M306-L309 PolarHBondContact O-N 3.26Å
310L86.4Confident88.9Confident2 Ų250.3 Ų50.31%0.0125%0.252CS..Hα-helixtrans-87.1-8.1-178-55.4178.5000113.1L271 A274 M306 T312 M539 A542 H544 I547L271-L310 HydrophobicContact CD2-CD2 3.7Å; A274-L310 HydrophobicContact CB-CD1 4.22Å; A274-L310 HydrophobicContact CB-CD2 3.6Å; A274-L310 HydrophobicContact CB-CG 4.19Å; M306-L310 HydrophobicContact CG-CD1 3.84Å; M306-L310 HydrophobicContact CG-CG 4.27Å; M306-L310 WeakPolarHBondContact O-CG 3.45Å; M306-L310 PolarHBondContact O-N 2.91Å; M306-L310 HydrophobicContact SD-CD1 4.32Å; L310-T312 VanDerWaalsContact C-N 3.34Å; L310-T312 HydrophobicContact CB-CG2 4.12Å; L310-T312 PolarHBondContact O-N 3.24Å; L310-M539 HydrophobicContact CD1-SD 4.47Å; L310-A542 WeakPolarHBondContact O-CB 3.44Å; L310-H544 WeakPolarHBondContact O-CB 3.41Å; L310-I547 HydrophobicContact CB-CD1 3.66Å; L310-I547 HydrophobicContact CD1-CD1 4.18Å; L310-I547 HydrophobicContact CD2-CD1 3.27Å; L310-I547 HydrophobicContact CD2-CG1 4.44Å; L310-I547 HydrophobicContact CG-CD1 3.85Å
311G87.6Confident88.9Confident35 Ų3546.7 Ų46.736%0.36124%0.237SC..THydrogen-bonded Turntrans60.441.7-172.400000112.5C307 E308 N543C307-G311 WeakPolarHBondContact O-CA 3.33Å; C307-G311 PolarHBondContact O-N 3.5Å; E308-G311 PolarHBondContact O-N 3.46Å; G311-N543 PolarHBondContact O-N 2.99Å
312T88.4Confident88.8Confident19 Ų1942.3 Ų42.312%0.11721%0.214CC..  trans-109.1150.4178.151.70000111C307 L310 A542C307-T312 WeakPolarHBondContact CA-OG1 3.35Å; C307-T312 WeakPolarHBondContact CB-O 3.48Å; C307-T312 PolarHBondContact O-N 2.89Å; C307-T312 PolarHBondContact SG-OG1 3.46Å; C307-T312 VanDerWaalsContact SG-OG1 3.41Å; L310-T312 VanDerWaalsContact C-N 3.34Å; L310-T312 HydrophobicContact CB-CG2 4.12Å; L310-T312 PolarHBondContact O-N 3.24Å; T312-A542 HydrophobicContact CG2-CB 3.34Å
313E89.3Confident88.8Confident129 Ų12943.5 Ų43.560%0.60322%0.217SC*.  trans-76.6126.4174.2-165.5-172160.600110.4S315 V316 L317E313-S315 VanDerWaalsContact C-N 3.28Å; E313-S315 WeakPolarHBondContact CG-OG 3.32Å; E313-S315 PolarHBondContact O-N 3.38Å; E313-S315 PolarHBondContact OE1-OG 2.95Å; E313-V316 HydrophobicContact CB-CB 4.43Å; E313-V316 HydrophobicContact CB-CG2 3.98Å; E313-V316 HydrophobicContact CG-CG2 4.48Å; E313-V316 PolarHBondContact O-N 3.42Å; E313-V316 VanDerWaalsContact O-N 3.15Å; E313-L317 PolarHBondContact O-N 2.84Å
314Q89.6Confident88.6Confident55 Ų5547.5 Ų47.526%0.25723%0.232SC..Hα-helixtrans-57.2-40-177.2-175.6176.97.200113L303 C307 V316 L317 E318L303-Q314 HydrophobicContact CD2-CG 3.73Å; L303-Q314 HydrophobicContact CG-CG 4.09Å; C307-Q314 HydrophobicContact CB-CB 4.47Å; Q314-V316 VanDerWaalsContact C-N 3.29Å; Q314-V316 PolarHBondContact O-N 2.96Å; Q314-L317 PolarHBondContact O-N 3.29Å; Q314-E318 VanDerWaalsContact O-CB 3.29Å; Q314-E318 WeakPolarHBondContact O-CB 3.32Å; Q314-E318 PolarHBondContact O-N 3.12Å
315S88.9Confident88.1Confident60 Ų6043.5 Ų43.542%0.4222%0.216SC..Hα-helixtrans-60.6-37.9-179.868.50000112.2E313 R319E313-S315 VanDerWaalsContact C-N 3.28Å; E313-S315 WeakPolarHBondContact CG-OG 3.32Å; E313-S315 PolarHBondContact O-N 3.38Å; E313-S315 PolarHBondContact OE1-OG 2.95Å; S315-R319 VanDerWaalsContact O-CB 3.28Å; S315-R319 WeakPolarHBondContact O-CB 3.36Å; S315-R319 PolarHBondContact O-N 3.32Å; S315-R319 VanDerWaalsContact O-N 3.1Å
316V89.5Confident87.3Confident44 Ų4443.4 Ų43.427%0.26722%0.22SC..Hα-helixtrans-70.6-43.4-177.8175.80000110.3E313 Q314 A320 A538E313-V316 HydrophobicContact CB-CB 4.43Å; E313-V316 HydrophobicContact CB-CG2 3.98Å; E313-V316 HydrophobicContact CG-CG2 4.48Å; E313-V316 PolarHBondContact O-N 3.42Å; E313-V316 VanDerWaalsContact O-N 3.15Å; Q314-V316 VanDerWaalsContact C-N 3.29Å; Q314-V316 PolarHBondContact O-N 2.96Å; V316-A320 WeakPolarHBondContact O-CB 3.29Å; V316-A320 PolarHBondContact O-N 3.46Å; V316-A538 HydrophobicContact CG1-CB 3.92Å
317L88.1Confident86.4Confident0 Ų046.7 Ų46.70%024%0.235CC..Hα-helixtrans-77.5-37-177.5-168.553.3000112.5L303 M306 E313 Q314 R319 A320 F321 L349 L535 A538 M539L303-L317 HydrophobicContact CD1-CB 4.49Å; L303-L317 HydrophobicContact CD1-CD2 4.12Å; L303-L317 HydrophobicContact CD1-CG 4.17Å; M306-L317 HydrophobicContact CE-CD2 3.09Å; M306-L317 HydrophobicContact CE-CG 4.28Å; E313-L317 PolarHBondContact O-N 2.84Å; Q314-L317 PolarHBondContact O-N 3.29Å; L317-R319 VanDerWaalsContact C-N 3.29Å; L317-R319 PolarHBondContact O-N 3.19Å; L317-A320 HydrophobicContact CD1-CB 4.46Å; L317-A320 PolarHBondContact O-N 2.8Å; L317-A320 VanDerWaalsContact O-N 3.16Å; L317-F321 HydrophobicContact CD1-CD2 4.47Å; L317-F321 HydrophobicContact CD1-CE2 3.92Å; L317-F321 HydrophobicContact CD1-CZ 4.11Å; L317-F321 HydrophobicContact CD2-CE2 4.41Å; L317-F321 HydrophobicContact CG-CD2 4.28Å; L317-F321 HydrophobicContact CG-CE2 3.74Å; L317-F321 HydrophobicContact CG-CZ 4.38Å; L317-F321 VanDerWaalsContact O-CD2 3.27Å; L317-F321 WeakPolarHBondContact O-CD2 3.49Å; L317-F321 PolarHBondContact O-N 2.83Å; L317-F321 VanDerWaalsContact O-N 3.13Å; L317-L349 HydrophobicContact CD1-CD2 4.37Å; L317-L535 HydrophobicContact CD1-CD2 4.43Å; L317-A538 HydrophobicContact CD1-CB 4.16Å; L317-M539 HydrophobicContact CD1-CE 3.59Å; L317-M539 HydrophobicContact CD2-CE 3.91Å; L317-M539 HydrophobicContact CG-CE 4.42Å
318E89.8Confident85.1Confident36 Ų3649.8 Ų49.817%0.16826%0.261CS..Hα-helixtrans-58.3-43.9170.5-179.8169.2-174.300111I297 K300 L303 Q314 F321 S322I297-E318 HydrophobicContact CD1-CB 4.29Å; I297-E318 HydrophobicContact CD1-CG 4.03Å; K300-E318 WeakPolarHBondContact CE-OE1 3.26Å; K300-E318 IonicContact NZ-OE1 2.8Å; K300-E318 PolarHBondContact NZ-OE1 3.32Å; K300-E318 IonicContact NZ-OE2 3.25Å; K300-E318 PolarHBondContact NZ-OE2 2.82Å; L303-E318 HydrophobicContact CD2-CB 4.07Å; Q314-E318 VanDerWaalsContact O-CB 3.29Å; Q314-E318 WeakPolarHBondContact O-CB 3.32Å; Q314-E318 PolarHBondContact O-N 3.12Å; E318-F321 PolarHBondContact O-N 2.79Å; E318-S322 PolarHBondContact O-N 3.43Å; E318-S322 PolarHBondContact O-OG 2.83Å
319R89.3Confident83.6Confident148 Ų14855.1 Ų55.156%0.55828%0.283SS*.Hα-helixtrans-63.6-40.7174.6-174.4177.3174.1178.2-1.6111.8S315 L317 F321 S322 Y323S315-R319 VanDerWaalsContact O-CB 3.28Å; S315-R319 WeakPolarHBondContact O-CB 3.36Å; S315-R319 PolarHBondContact O-N 3.32Å; S315-R319 VanDerWaalsContact O-N 3.1Å; L317-R319 VanDerWaalsContact C-N 3.29Å; L317-R319 PolarHBondContact O-N 3.19Å; R319-F321 VanDerWaalsContact C-N 3.27Å; R319-F321 PolarHBondContact O-N 3.49Å; R319-S322 PolarHBondContact O-N 3Å; R319-Y323 HydrophobicContact CG-CD2 3.76Å; R319-Y323 HydrophobicContact CG-CE2 4.5Å; R319-Y323 HydrophobicContact CG-CG 4.25Å; R319-Y323 WeakPolarHBondContact O-CB 3.29Å; R319-Y323 WeakPolarHBondContact O-CD2 3.36Å; R319-Y323 PolarHBondContact O-N 3.39Å
320A88.9Confident82.2Confident4 Ų462.7 Ų62.73%0.03332%0.32CS..Hα-helixtrans-67.1-24.5-179.500000113.9V316 L317 D534 L535 A538V316-A320 WeakPolarHBondContact O-CB 3.29Å; V316-A320 PolarHBondContact O-N 3.46Å; L317-A320 HydrophobicContact CD1-CB 4.46Å; L317-A320 PolarHBondContact O-N 2.8Å; L317-A320 VanDerWaalsContact O-N 3.16Å; A320-D534 HydrophobicContact CB-CB 4.11Å; A320-L535 HydrophobicContact CB-CD2 3.83Å; A320-L535 HydrophobicContact CB-CG 4.47Å; A320-A538 HydrophobicContact CB-CB 4.39Å
321F89.6Confident81.4Confident0 Ų069.2 Ų69.20%035%0.35CS..Hα-helixtrans-83.1-23.5173.1-71.3-52000114.2L278 I281 F283 I297 L303 L317 E318 R319 L337 A342 A345 R346 L349 L535L278-F321 HydrophobicContact CD2-CE2 4.48Å; L278-F321 HydrophobicContact CD2-CZ 3.8Å; I281-F321 HydrophobicContact CD1-CE2 4.08Å; F283-F321 HydrophobicContact CE1-CB 3.75Å; F283-F321 HydrophobicContact CE1-CG 4.27Å; F283-F321 HydrophobicContact CZ-CB 3.94Å; F283-F321 HydrophobicContact CZ-CD1 4.32Å; F283-F321 HydrophobicContact CZ-CG 4.03Å; I297-F321 HydrophobicContact CD1-CD2 4.23Å; L303-F321 HydrophobicContact CD1-CE2 4.3Å; L317-F321 HydrophobicContact CD1-CD2 4.47Å; L317-F321 HydrophobicContact CD1-CE2 3.92Å; L317-F321 HydrophobicContact CD1-CZ 4.11Å; L317-F321 HydrophobicContact CD2-CE2 4.41Å; L317-F321 HydrophobicContact CG-CD2 4.28Å; L317-F321 HydrophobicContact CG-CE2 3.74Å; L317-F321 HydrophobicContact CG-CZ 4.38Å; L317-F321 VanDerWaalsContact O-CD2 3.27Å; L317-F321 WeakPolarHBondContact O-CD2 3.49Å; L317-F321 PolarHBondContact O-N 2.83Å; L317-F321 VanDerWaalsContact O-N 3.13Å; E318-F321 PolarHBondContact O-N 2.79Å; R319-F321 VanDerWaalsContact C-N 3.27Å; R319-F321 PolarHBondContact O-N 3.49Å; F321-L337 WeakPolarHBondContact O-CD1 3.48Å; F321-A342 WeakPolarHBondContact O-CB 3.42Å; F321-A345 HydrophobicContact CD1-CB 4.35Å; F321-R346 HydrophobicContact CD1-CB 4.45Å; F321-R346 HydrophobicContact CE1-CB 4.14Å; F321-L349 HydrophobicContact CE1-CD2 4.06Å; F321-L349 HydrophobicContact CZ-CD2 3.77Å; F321-L535 HydrophobicContact CD1-CD2 3.86Å; F321-L535 HydrophobicContact CE1-CD2 3.71Å; F321-L535 HydrophobicContact CZ-CD2 4.43Å
322S87.9Confident80.7Confident7 Ų774.2 Ų74.25%0.04936%0.362CS..Hα-helixtrans-105.7-16.2-173.5-42.70000112.8S295 E318 R319 L337S295-S322 WeakPolarHBondContact O-CB 3.5Å; S295-S322 PolarHBondContact O-OG 2.8Å; E318-S322 PolarHBondContact O-N 3.43Å; E318-S322 PolarHBondContact O-OG 2.83Å; R319-S322 PolarHBondContact O-N 3Å; S322-L337 PolarHBondContact O-N 2.78Å
323Y86.1Confident80.2Confident57 Ų5777.1 Ų77.122%0.22438%0.379CS..EExtended strand (participates in β ladder)trans-133.6147.6-177.1-62.7-96.5000111.7R288 E294 R319 T335 T336R288-Y323 PolarHBondContact NH2-OH 3.16Å; E294-Y323 PolarHBondContact OE1-OH 3.11Å; R319-Y323 HydrophobicContact CG-CD2 3.76Å; R319-Y323 HydrophobicContact CG-CE2 4.5Å; R319-Y323 HydrophobicContact CG-CG 4.25Å; R319-Y323 WeakPolarHBondContact O-CB 3.29Å; R319-Y323 WeakPolarHBondContact O-CD2 3.36Å; R319-Y323 PolarHBondContact O-N 3.39Å; Y323-T335 CarbonylContact C-O 3.57Å; Y323-T335 WeakPolarHBondContact CA-O 3.43Å; Y323-T336 HydrophobicContact CD1-CG2 3.94Å; Y323-T336 HydrophobicContact CE1-CG2 3.55Å
324R84.6Confident79.6Confident84 Ų8473.3 Ų73.332%0.31737%0.367SS..EExtended strand (participates in β ladder)trans-122.7125.8170.7175.7-177.2173.1-173.8-0.2110.3V326 S334 T335 L337 Y532 D534R324-V326 HydrophobicContact CG-CG2 4.49Å; R324-S334 WeakPolarHBondContact O-CA 3.45Å; R324-T335 PolarHBondContact N-O 2.98Å; R324-T335 PolarHBondContact O-N 3.31Å; R324-L337 HydrophobicContact CB-CD2 3.88Å; R324-L337 HydrophobicContact CB-CG 4.33Å; R324-Y532 HydrophobicContact CG-CD1 4.36Å; R324-Y532 HydrophobicContact CG-CG 4.4Å; R324-D534 WeakPolarHBondContact CA-OD2 3.4Å
325T81.6Confident79.3Confident24 Ų2474.1 Ų74.115%0.14738%0.376CS..EExtended strand (participates in β ladder)trans-90117.4175.2-50.50000110.3K332 V333 D534T325-K332 HydrophobicContact CG2-CB 4Å; T325-K332 HydrophobicContact CG2-CG 4.39Å; T325-V333 WeakPolarHBondContact CA-O 3.24Å; T325-D534 WeakPolarHBondContact CB-OD1 3.22Å; T325-D534 PolarHBondContact N-OD2 3.2Å; T325-D534 PolarHBondContact OG1-OD1 3.25Å
326V73.6Confident79.2Confident65 Ų6572.9 Ų72.939%0.39437%0.366SS..EExtended strand (participates in β ladder)trans-100.9127.3170.7-175.80000108.2R324 V333R324-V326 HydrophobicContact CG-CG2 4.49Å; V326-V333 PolarHBondContact N-O 3.14Å; V326-V333 PolarHBondContact O-N 3.09Å
327E67.8Low79Confident70 Ų7071 Ų7133%0.32735%0.354SS..EExtended strand (participates in β ladder)trans-108.9115.8179.1-166.7162.2-170.500109.3E331 K332 R533E327-E331 WeakPolarHBondContact CA-O 3.34Å; E327-K332 HydrophobicContact CB-CG 4.33Å; E327-K332 HydrophobicContact CG-CG 3.83Å; E327-K332 WeakPolarHBondContact OE1-CE 3.38Å; E327-K332 IonicContact OE1-NZ 3.96Å; E327-K332 WeakPolarHBondContact OE2-CE 3.31Å; E327-R533 IonicContact OE2-CZ 2.66Å; E327-R533 IonicContact OE2-NH1 2.95Å; E327-R533 PolarHBondContact OE2-NH1 3.14Å; E327-R533 IonicContact OE2-NH2 3.82Å; E327-R533 PolarHBondContact OE2-NH2 2.9Å
328A63.1Low78.9Confident71 Ų7174 Ų7459%0.58737%0.37SS*.EExtended strand (participates in β ladder)trans-117.7101.1-179.200000109.2M330 E331A328-M330 PolarHBondContact O-N 3.39Å; A328-E331 PolarHBondContact N-O 3.45Å; A328-E331 PolarHBondContact O-N 2.9Å
329K57.5Low78.7Confident220 Ų22074 Ų7496%0.95737%0.373SS*.THydrogen-bonded Turntrans48.3-33.7173.9-77.2-176.7175.4-179.80119.1
330M58.2Low78.4Confident186 Ų18669.3 Ų69.392%0.91637%0.365SS*.THydrogen-bonded Turntrans-149.6-8.3171-61.4-166.786.300114.8A328A328-M330 PolarHBondContact O-N 3.39Å
331E70.6Confident78.2Confident140 Ų14072.5 Ų72.565%0.65438%0.38SS*.EExtended strand (participates in β ladder)trans-120.7139.8-178.5-68.3-179.4175.900112.6E327 A328E327-E331 WeakPolarHBondContact CA-O 3.34Å; A328-E331 PolarHBondContact N-O 3.45Å; A328-E331 PolarHBondContact O-N 2.9Å
332K71.5Confident78.1Confident139 Ų13972.5 Ų72.560%0.60438%0.38SS*.EExtended strand (participates in β ladder)trans-101.3107.5172.3-72179.5-177.5174.10108.9T325 E327T325-K332 HydrophobicContact CG2-CB 4Å; T325-K332 HydrophobicContact CG2-CG 4.39Å; E327-K332 HydrophobicContact CB-CG 4.33Å; E327-K332 HydrophobicContact CG-CG 3.83Å; E327-K332 WeakPolarHBondContact OE1-CE 3.38Å; E327-K332 IonicContact OE1-NZ 3.96Å; E327-K332 WeakPolarHBondContact OE2-CE 3.31Å
333V77.9Confident78.1Confident80 Ų8075.4 Ų75.449%0.48539%0.39SS..EExtended strand (participates in β ladder)trans-104.6121.8178.4-178.50000108.9T325 V326T325-V333 WeakPolarHBondContact CA-O 3.24Å; V326-V333 PolarHBondContact N-O 3.14Å; V326-V333 PolarHBondContact O-N 3.09Å
334S78.1Confident78Confident49 Ų4976.9 Ų76.934%0.34340%0.396SS..EExtended strand (participates in β ladder)trans-90120.6173-65.10000109.9R324R324-S334 WeakPolarHBondContact O-CA 3.45Å
335T83.6Confident78.1Confident73 Ų7372.9 Ų72.945%0.44838%0.381SS..EExtended strand (participates in β ladder)trans-103140.9174.4-46.60000109.3Y323 R324Y323-T335 CarbonylContact C-O 3.57Å; Y323-T335 WeakPolarHBondContact CA-O 3.43Å; R324-T335 PolarHBondContact N-O 2.98Å; R324-T335 PolarHBondContact O-N 3.31Å
336T84.9Confident78.6Confident33 Ų3372.9 Ų72.920%0.20238%0.378CS..EExtended strand (participates in β ladder)trans-73.7146.5175.347.40000111.2E294 Y323E294-T336 HydrophobicContact CB-CG2 4.46Å; E294-T336 HydrophobicContact CG-CG2 4Å; Y323-T336 HydrophobicContact CD1-CG2 3.94Å; Y323-T336 HydrophobicContact CE1-CG2 3.55Å
337L86.1Confident79.3Confident5 Ų571 Ų713%0.02637%0.366CS..PPolyproline II helixtrans-98139173.8-63.2-179.2000109.9S295 F321 S322 R324 Q341 A345 Y532S295-L337 VanDerWaalsContact CB-O 3.29Å; S295-L337 WeakPolarHBondContact CB-O 3.5Å; S295-L337 PolarHBondContact N-O 3.46Å; S295-L337 PolarHBondContact OG-O 3.24Å; F321-L337 WeakPolarHBondContact O-CD1 3.48Å; S322-L337 PolarHBondContact O-N 2.78Å; R324-L337 HydrophobicContact CB-CD2 3.88Å; R324-L337 HydrophobicContact CB-CG 4.33Å; L337-Q341 HydrophobicContact CB-CB 4.01Å; L337-Q341 HydrophobicContact CD2-CB 4.12Å; L337-A345 HydrophobicContact CD1-CB 4.48Å; L337-Y532 HydrophobicContact CD1-CD2 4.39Å; L337-Y532 HydrophobicContact CD1-CE2 4.18Å; L337-Y532 HydrophobicContact CD2-CE2 4.49Å
338N85.3Confident80.3Confident62 Ų6267.8 Ų67.833%0.33235%0.351SS..PPolyproline II helixtrans-75.9172.8170.672.226.9000111.2A340 Q341 A342N338-A340 PolarHBondContact O-N 3.41Å; N338-A340 PolarHBondContact OD1-N 3.21Å; N338-Q341 PolarHBondContact O-N 2.98Å; N338-Q341 WeakPolarHBondContact OD1-CB 3.47Å; N338-Q341 WeakPolarHBondContact OD1-CG 3.38Å; N338-Q341 PolarHBondContact OD1-N 3.46Å; N338-A342 PolarHBondContact O-N 3.27Å
339V86.9Confident81.6Confident38 Ų3864.4 Ų64.423%0.2332%0.323CS..Hα-helixtrans-58.6-44.1-175.8175.80000112.5F283 P285 A342 Y343F283-V339 HydrophobicContact CB-CG1 4.2Å; P285-V339 HydrophobicContact CB-CG2 3.89Å; V339-A342 PolarHBondContact O-N 2.88Å; V339-Y343 HydrophobicContact CG1-CD2 3.84Å; V339-Y343 HydrophobicContact CG1-CE2 3.53Å; V339-Y343 WeakPolarHBondContact O-CD2 3.34Å; V339-Y343 PolarHBondContact O-N 2.95Å
340A83.1Confident83.3Confident48 Ų4854 Ų5440%0.39728%0.278SS..Hα-helixtrans-64-44.1178.800000111.7N338 A342 Y343 Y344N338-A340 PolarHBondContact O-N 3.41Å; N338-A340 PolarHBondContact OD1-N 3.21Å; A340-A342 VanDerWaalsContact C-N 3.31Å; A340-A342 PolarHBondContact O-N 2.92Å; A340-Y343 PolarHBondContact O-N 3.47Å; A340-Y344 HydrophobicContact CB-CE2 4.21Å; A340-Y344 WeakPolarHBondContact O-CD2 3.45Å; A340-Y344 PolarHBondContact O-N 3.29Å
341Q83.3Confident84.9Confident72 Ų7246 Ų4634%0.33624%0.238SC..Hα-helixtrans-62.3-36.3175.9-72.1169.8-17.700112.6L337 N338 Y344 A345L337-Q341 HydrophobicContact CB-CB 4.01Å; L337-Q341 HydrophobicContact CD2-CB 4.12Å; N338-Q341 PolarHBondContact O-N 2.98Å; N338-Q341 WeakPolarHBondContact OD1-CB 3.47Å; N338-Q341 WeakPolarHBondContact OD1-CG 3.38Å; N338-Q341 PolarHBondContact OD1-N 3.46Å; Q341-Y344 PolarHBondContact O-N 3.28Å; Q341-A345 WeakPolarHBondContact O-CB 3.45Å; Q341-A345 PolarHBondContact O-N 3.09Å
342A87.5Confident85.7Confident0 Ų039.9 Ų39.90%021%0.21CC..Hα-helixtrans-66.7-41.4174.500000112.2F283 S295 F321 N338 V339 A340 A345 R346F283-A342 HydrophobicContact CB-CB 4.39Å; F283-A342 HydrophobicContact CD1-CB 3.76Å; F283-A342 HydrophobicContact CD2-CB 3.84Å; F283-A342 HydrophobicContact CE1-CB 3.9Å; F283-A342 HydrophobicContact CE2-CB 3.99Å; F283-A342 WeakPolarHBondContact CE2-O 3.48Å; F283-A342 HydrophobicContact CG-CB 3.73Å; F283-A342 HydrophobicContact CZ-CB 4.02Å; S295-A342 WeakPolarHBondContact OG-CB 3.42Å; F321-A342 WeakPolarHBondContact O-CB 3.42Å; N338-A342 PolarHBondContact O-N 3.27Å; V339-A342 PolarHBondContact O-N 2.88Å; A340-A342 VanDerWaalsContact C-N 3.31Å; A340-A342 PolarHBondContact O-N 2.92Å; A342-A345 PolarHBondContact O-N 3.37Å; A342-R346 PolarHBondContact O-N 3.12Å
343Y88Confident86.8Confident67 Ų6733.3 Ų33.326%0.26318%0.181SC..Hα-helixtrans-60.9-45.3171.1-79-64.7000111.9F283 V339 A340 A345 R346 D347F283-Y343 HydrophobicContact CB-CE2 4.2Å; F283-Y343 AromaticContact CD2-CD1 3.75Å; F283-Y343 HydrophobicContact CD2-CD1 3.75Å; F283-Y343 HydrophobicContact CD2-CD2 4.24Å; F283-Y343 AromaticContact CD2-CE1 3.78Å; F283-Y343 HydrophobicContact CD2-CE1 3.78Å; F283-Y343 HydrophobicContact CD2-CE2 4.27Å; F283-Y343 AromaticContact CD2-CG 3.98Å; F283-Y343 HydrophobicContact CD2-CG 3.98Å; F283-Y343 HydrophobicContact CE2-CD1 4.17Å; F283-Y343 HydrophobicContact CE2-CE1 4.46Å; F283-Y343 PolarHBondContact N-OH 3.26Å; F283-Y343 VanDerWaalsContact N-OH 3.09Å; F283-Y343 PolarHBondContact O-OH 3.4Å; V339-Y343 HydrophobicContact CG1-CD2 3.84Å; V339-Y343 HydrophobicContact CG1-CE2 3.53Å; V339-Y343 WeakPolarHBondContact O-CD2 3.34Å; V339-Y343 PolarHBondContact O-N 2.95Å; A340-Y343 PolarHBondContact O-N 3.47Å; Y343-A345 VanDerWaalsContact C-N 3.31Å; Y343-A345 PolarHBondContact O-N 3.46Å; Y343-R346 WeakPolarHBondContact O-CB 3.36Å; Y343-R346 PolarHBondContact O-N 2.86Å; Y343-D347 WeakPolarHBondContact O-CB 3.12Å; Y343-D347 PolarHBondContact O-N 2.79Å
344Y84.6Confident87.6Confident89 Ų8929.5 Ų29.535%0.34916%0.158SC..Hα-helixtrans-61.8-38175.2-63.9-48.7000112.3A340 Q341 D347 A348 D525A340-Y344 HydrophobicContact CB-CE2 4.21Å; A340-Y344 WeakPolarHBondContact O-CD2 3.45Å; A340-Y344 PolarHBondContact O-N 3.29Å; Q341-Y344 PolarHBondContact O-N 3.28Å; Y344-D347 PolarHBondContact O-N 3.29Å; Y344-A348 WeakPolarHBondContact O-CB 3.14Å; Y344-A348 PolarHBondContact O-N 2.81Å; Y344-D525 HydrophobicContact CE1-CB 4.47Å; Y344-D525 PolarHBondContact OH-OD1 2.81Å
345A87.2Confident88.3Confident0 Ų028 Ų280%015%0.147CC..Hα-helixtrans-65.3-43.7176.600000112.3F321 L337 Q341 A342 Y343 L349 Y532 L535F321-A345 HydrophobicContact CD1-CB 4.35Å; L337-A345 HydrophobicContact CD1-CB 4.48Å; Q341-A345 WeakPolarHBondContact O-CB 3.45Å; Q341-A345 PolarHBondContact O-N 3.09Å; A342-A345 PolarHBondContact O-N 3.37Å; Y343-A345 VanDerWaalsContact C-N 3.31Å; Y343-A345 PolarHBondContact O-N 3.46Å; A345-L349 WeakPolarHBondContact O-CB 3.38Å; A345-L349 PolarHBondContact O-N 3.02Å; A345-Y532 HydrophobicContact CB-CD2 4.33Å; A345-Y532 HydrophobicContact CB-CE2 4.27Å; A345-L535 HydrophobicContact CB-CD1 4.16Å
346R91.4Very high88.7Confident23 Ų2327.3 Ų27.39%0.08714%0.137CC..Hα-helixtrans-58.2-50.7172.8-179.5-159.275.3172.71.6111.4L278 G279 I281 F283 F321 A342 Y343 L349 A350L278-R346 WeakPolarHBondContact O-CD 3.3Å; L278-R346 WeakPolarHBondContact O-CG 3.41Å; G279-R346 PolarHBondContact O-NH1 3.02Å; I281-R346 WeakPolarHBondContact O-CD 3.17Å; I281-R346 PolarHBondContact O-NH1 2.78Å; F283-R346 HydrophobicContact CE2-CB 3.94Å; F283-R346 HydrophobicContact CE2-CG 4.48Å; F283-R346 HydrophobicContact CZ-CB 4.22Å; F321-R346 HydrophobicContact CD1-CB 4.45Å; F321-R346 HydrophobicContact CE1-CB 4.14Å; A342-R346 PolarHBondContact O-N 3.12Å; Y343-R346 WeakPolarHBondContact O-CB 3.36Å; Y343-R346 PolarHBondContact O-N 2.86Å; R346-L349 PolarHBondContact O-N 3.23Å; R346-A350 PolarHBondContact O-N 3.48Å
347D89.6Confident89.2Confident26 Ų2625.8 Ų25.814%0.13913%0.127CC..Hα-helixtrans-67.1-41.5-178.1-72.98.8000111.2V193 Y231 Y343 Y344 L349 A350 K351V193-D347 HydrophobicContact CB-CB 4.31Å; V193-D347 HydrophobicContact CG1-CB 3.98Å; V193-D347 HydrophobicContact CG2-CB 4.26Å; Y231-D347 PolarHBondContact OH-OD1 2.95Å; Y231-D347 VanDerWaalsContact OH-OD1 3.07Å; Y343-D347 WeakPolarHBondContact O-CB 3.12Å; Y343-D347 PolarHBondContact O-N 2.79Å; Y344-D347 PolarHBondContact O-N 3.29Å; D347-L349 VanDerWaalsContact C-N 3.33Å; D347-L349 PolarHBondContact O-N 2.97Å; D347-A350 PolarHBondContact O-N 2.95Å; D347-K351 WeakPolarHBondContact O-CB 3.31Å; D347-K351 WeakPolarHBondContact O-CG 3.39Å; D347-K351 PolarHBondContact O-N 3.15Å
348A87.7Confident89.6Confident2 Ų225.6 Ų25.62%0.01713%0.126CC..Hα-helixtrans-61.2-41.7175.400000111.4Y344 N352Y344-A348 WeakPolarHBondContact O-CB 3.14Å; Y344-A348 PolarHBondContact O-N 2.81Å; A348-N352 VanDerWaalsContact O-CB 3.29Å; A348-N352 WeakPolarHBondContact O-CB 3.47Å; A348-N352 PolarHBondContact O-N 3.15Å; A348-N352 PolarHBondContact O-ND2 2.69Å
349L91.3Very high90Very high1 Ų124.8 Ų24.81%0.00513%0.125CC..Hα-helixtrans-61.6-47.5174.2-179.462000111.3L278 L317 F321 A345 R346 D347 N352 L353 L531 L535 M539 F551L278-L349 HydrophobicContact CD1-CD2 4.16Å; L278-L349 HydrophobicContact CD1-CG 4.14Å; L278-L349 HydrophobicContact CD2-CD2 4.02Å; L317-L349 HydrophobicContact CD1-CD2 4.37Å; F321-L349 HydrophobicContact CE1-CD2 4.06Å; F321-L349 HydrophobicContact CZ-CD2 3.77Å; A345-L349 WeakPolarHBondContact O-CB 3.38Å; A345-L349 PolarHBondContact O-N 3.02Å; R346-L349 PolarHBondContact O-N 3.23Å; D347-L349 VanDerWaalsContact C-N 3.33Å; D347-L349 PolarHBondContact O-N 2.97Å; L349-N352 PolarHBondContact O-N 3.38Å; L349-L353 WeakPolarHBondContact O-CB 3.43Å; L349-L353 PolarHBondContact O-N 3.15Å; L349-L531 HydrophobicContact CD1-CD1 4.27Å; L349-L535 HydrophobicContact CB-CD1 4.42Å; L349-L535 HydrophobicContact CD1-CB 4.49Å; L349-L535 HydrophobicContact CD2-CD2 4.33Å; L349-M539 HydrophobicContact CD1-CG 3.73Å; L349-M539 HydrophobicContact CD1-SD 4.1Å; L349-M539 HydrophobicContact CD2-CE 4.09Å; L349-M539 HydrophobicContact CD2-SD 4.42Å; L349-F551 HydrophobicContact CD1-CE1 4.39Å; L349-F551 HydrophobicContact CD1-CZ 4.19Å
350A92.9Very high90.4Very high0 Ų024.7 Ų24.70%012%0.121CC..Hα-helixtrans-60.8-49179.400000112.4V193 Y231 V275 L278 R346 D347 Y354V193-A350 HydrophobicContact CG1-CB 4.04Å; Y231-A350 HydrophobicContact CE2-CB 3.75Å; V275-A350 HydrophobicContact CG1-CB 4.4Å; L278-A350 HydrophobicContact CB-CB 4.36Å; L278-A350 HydrophobicContact CD1-CB 4.2Å; R346-A350 PolarHBondContact O-N 3.48Å; D347-A350 PolarHBondContact O-N 2.95Å; A350-Y354 WeakPolarHBondContact O-CB 3.39Å; A350-Y354 PolarHBondContact O-N 3.08Å
351K90.6Very high90.9Very high20 Ų2022.5 Ų22.59%0.08710%0.102CC..Hα-helixtrans-59.1-47.6177.4-70179.1-142.6175.20112.1K189 V193 D347 S355K189-K351 HydrophobicContact CB-CB 4.12Å; K189-K351 HydrophobicContact CB-CG 4.41Å; K189-K351 WeakPolarHBondContact O-CG 3.45Å; V193-K351 HydrophobicContact CG1-CD 4.48Å; V193-K351 HydrophobicContact CG1-CG 3.73Å; V193-K351 HydrophobicContact CG2-CD 4.36Å; V193-K351 HydrophobicContact CG2-CG 4.4Å; D347-K351 WeakPolarHBondContact O-CB 3.31Å; D347-K351 WeakPolarHBondContact O-CG 3.39Å; D347-K351 PolarHBondContact O-N 3.15Å; K351-S355 VanDerWaalsContact O-CB 3.26Å; K351-S355 WeakPolarHBondContact O-CB 3.19Å; K351-S355 PolarHBondContact O-N 3.26Å
352N89.1Confident91.3Very high10 Ų1019.2 Ų19.25%0.0539%0.087CC..Hα-helixtrans-73.7-37.5-177-77.6-77.5000112.2K189 A348 L349 S355 R356 D529 L531K189-N352 PolarHBondContact NZ-OD1 3.16Å; A348-N352 VanDerWaalsContact O-CB 3.29Å; A348-N352 WeakPolarHBondContact O-CB 3.47Å; A348-N352 PolarHBondContact O-N 3.15Å; A348-N352 PolarHBondContact O-ND2 2.69Å; L349-N352 PolarHBondContact O-N 3.38Å; N352-S355 PolarHBondContact O-N 2.96Å; N352-R356 VanDerWaalsContact O-CB 3.26Å; N352-R356 WeakPolarHBondContact O-CB 3.28Å; N352-R356 WeakPolarHBondContact O-CD 3.44Å; N352-R356 WeakPolarHBondContact O-CG 3.49Å; N352-R356 PolarHBondContact O-N 2.79Å; N352-D529 PolarHBondContact ND2-OD1 3.05Å; N352-L531 HydrophobicContact CB-CD1 4.45Å; N352-L531 HydrophobicContact CB-CD2 4.18Å
353L93.3Very high91.5Very high1 Ų122.8 Ų22.81%0.00511%0.109CC..Hα-helixtrans-59.1-49.6173.217961.2000110.5L271 V275 L278 L349 R356 L357 L550 F551L271-L353 HydrophobicContact CD1-CD1 4.35Å; V275-L353 HydrophobicContact CG2-CB 4.17Å; V275-L353 HydrophobicContact CG2-CD2 3.66Å; V275-L353 HydrophobicContact CG2-CG 3.83Å; L278-L353 HydrophobicContact CD1-CD2 4.31Å; L349-L353 WeakPolarHBondContact O-CB 3.43Å; L349-L353 PolarHBondContact O-N 3.15Å; L353-R356 PolarHBondContact O-N 3.32Å; L353-L357 VanDerWaalsContact O-CB 3.3Å; L353-L357 WeakPolarHBondContact O-CB 3.27Å; L353-L357 PolarHBondContact O-N 3.36Å; L353-L550 HydrophobicContact CD1-CD1 4.03Å; L353-F551 HydrophobicContact CB-CZ 4.29Å; L353-F551 HydrophobicContact CD1-CE2 3.73Å; L353-F551 HydrophobicContact CD1-CZ 4.18Å
354Y95.5Very high91.7Very high1 Ų121.1 Ų21.10%0.00410%0.102CC..Hα-helixtrans-63.5-46.7178.1-170.8-91.6000112.6F149 L187 V192 F202 I204 F205 V275 A350 R356 L357 F358F149-Y354 VanDerWaalsContact C-OH 3.3Å; F149-Y354 VanDerWaalsContact CA-OH 3.25Å; F149-Y354 WeakPolarHBondContact CA-OH 3.46Å; F149-Y354 HydrophobicContact CD1-CE2 4.24Å; F149-Y354 WeakPolarHBondContact O-CE1 3.37Å; F149-Y354 PolarHBondContact O-OH 3.39Å; L187-Y354 HydrophobicContact CD2-CD1 4.36Å; L187-Y354 HydrophobicContact CD2-CE1 4.5Å; V192-Y354 HydrophobicContact CG1-CG 4.44Å; V192-Y354 HydrophobicContact CG2-CD1 3.56Å; V192-Y354 HydrophobicContact CG2-CE1 4.2Å; V192-Y354 HydrophobicContact CG2-CG 3.77Å; F202-Y354 WeakPolarHBondContact CB-OH 3.21Å; F202-Y354 HydrophobicContact CD2-CD1 4.36Å; F202-Y354 AromaticContact CD2-CE1 3.51Å; F202-Y354 HydrophobicContact CD2-CE1 3.51Å; F202-Y354 AromaticContact CD2-CZ 3.64Å; F202-Y354 HydrophobicContact CE2-CD1 4.3Å; F202-Y354 AromaticContact CE2-CE1 3.69Å; F202-Y354 HydrophobicContact CE2-CE1 3.69Å; F202-Y354 HydrophobicContact CG-CE1 4.09Å; F202-Y354 AromaticContact CG-CZ 3.94Å; F202-Y354 WeakPolarHBondContact CG-OH 3.43Å; F202-Y354 HydrophobicContact CZ-CE1 4.38Å; I204-Y354 HydrophobicContact CG2-CE2 4.14Å; I204-Y354 WeakPolarHBondContact CG2-OH 3.41Å; F205-Y354 HydrophobicContact CE2-CD2 4.28Å; F205-Y354 AromaticContact CE2-CE2 3.77Å; F205-Y354 HydrophobicContact CE2-CE2 3.77Å; F205-Y354 AromaticContact CZ-CD2 3.75Å; F205-Y354 HydrophobicContact CZ-CD2 3.75Å; F205-Y354 AromaticContact CZ-CE2 3.59Å; F205-Y354 HydrophobicContact CZ-CE2 3.59Å; V275-Y354 HydrophobicContact CG1-CD2 4.42Å; A350-Y354 WeakPolarHBondContact O-CB 3.39Å; A350-Y354 PolarHBondContact O-N 3.08Å; Y354-R356 VanDerWaalsContact C-N 3.34Å; Y354-R356 PolarHBondContact O-N 3.08Å; Y354-L357 WeakPolarHBondContact O-CB 3.42Å; Y354-L357 PolarHBondContact O-N 3.44Å; Y354-F358 PolarHBondContact O-N 3.43Å
355S92Very high92Very high16 Ų1616.9 Ų16.911%0.1129%0.086CC..Hα-helixtrans-63.4-39.1-180-178.90000112.6K189 K351 N352 F358 S359K189-S355 WeakPolarHBondContact CE-OG 3.48Å; K351-S355 VanDerWaalsContact O-CB 3.26Å; K351-S355 WeakPolarHBondContact O-CB 3.19Å; K351-S355 PolarHBondContact O-N 3.26Å; N352-S355 PolarHBondContact O-N 2.96Å; S355-F358 PolarHBondContact O-N 3.18Å; S355-S359 PolarHBondContact O-N 3.18Å; S355-S359 VanDerWaalsContact O-N 3.07Å; S355-S359 PolarHBondContact O-OG 2.88Å
356R92.6Very high92.2Very high60 Ų6018 Ų1823%0.2269%0.092CC..Hα-helixtrans-72.2-39.1177.7-69.1172.6-178.3-148.19.6111.3N352 L353 Y354 F358 S359 W360 L550 E553N352-R356 VanDerWaalsContact O-CB 3.26Å; N352-R356 WeakPolarHBondContact O-CB 3.28Å; N352-R356 WeakPolarHBondContact O-CD 3.44Å; N352-R356 WeakPolarHBondContact O-CG 3.49Å; N352-R356 PolarHBondContact O-N 2.79Å; L353-R356 PolarHBondContact O-N 3.32Å; Y354-R356 VanDerWaalsContact C-N 3.34Å; Y354-R356 PolarHBondContact O-N 3.08Å; R356-F358 VanDerWaalsContact C-N 3.3Å; R356-F358 PolarHBondContact O-N 3.34Å; R356-S359 PolarHBondContact O-N 2.85Å; R356-W360 WeakPolarHBondContact O-CB 3.46Å; R356-W360 PolarHBondContact O-N 2.87Å; R356-L550 HydrophobicContact CB-CB 4.26Å; R356-L550 HydrophobicContact CB-CD2 4.13Å; R356-L550 WeakPolarHBondContact CD-O 3.33Å; R356-L550 PolarHBondContact NH1-O 2.75Å; R356-E553 IonicContact CZ-OE1 2.71Å; R356-E553 IonicContact CZ-OE2 3.62Å; R356-E553 IonicContact NH1-OE1 3.41Å; R356-E553 PolarHBondContact NH1-OE1 3.49Å; R356-E553 IonicContact NH1-OE2 3.58Å; R356-E553 PolarHBondContact NH1-OE2 3.46Å; R356-E553 IonicContact NH2-OE1 3.19Å; R356-E553 PolarHBondContact NH2-OE1 2.95Å; R356-E553 IonicContact NH2-OE2 2.69Å
357L95.4Very high92Very high0 Ų023.1 Ų23.10%012%0.117CC..Hα-helixtrans-57-45.3171.1176.259.8000111F149 V268 L271 V272 L353 Y354 W360 L361 L546 L550F149-L357 HydrophobicContact CE1-CD2 4.19Å; V268-L357 HydrophobicContact CG1-CD1 4.3Å; V268-L357 HydrophobicContact CG1-CD2 4.42Å; V268-L357 HydrophobicContact CG2-CD1 4.15Å; L271-L357 HydrophobicContact CB-CD2 3.88Å; L271-L357 HydrophobicContact CD1-CD1 4.14Å; V272-L357 HydrophobicContact CG2-CD2 4.03Å; L353-L357 VanDerWaalsContact O-CB 3.3Å; L353-L357 WeakPolarHBondContact O-CB 3.27Å; L353-L357 PolarHBondContact O-N 3.36Å; Y354-L357 WeakPolarHBondContact O-CB 3.42Å; Y354-L357 PolarHBondContact O-N 3.44Å; L357-W360 HydrophobicContact CD1-CE3 4.37Å; L357-W360 PolarHBondContact O-N 3.42Å; L357-L361 HydrophobicContact CG-CD1 4.49Å; L357-L361 WeakPolarHBondContact O-CG 3.41Å; L357-L361 PolarHBondContact O-N 3.14Å; L357-L546 HydrophobicContact CD1-CD2 4.02Å; L357-L550 HydrophobicContact CB-CD1 4.23Å
358F95.2Very high91.7Very high1 Ų123.6 Ų23.60%0.00412%0.122CC..Hα-helixtrans-61.8-45.9177.1-175.8-115.5000112.5L146 F149 F163 N184 L187 Y354 S355 R356 W360 L361 V362L146-F358 HydrophobicContact CD2-CE2 4.09Å; L146-F358 HydrophobicContact CD2-CZ 4.33Å; F149-F358 HydrophobicContact CB-CD2 3.53Å; F149-F358 HydrophobicContact CB-CE2 3.82Å; F163-F358 HydrophobicContact CB-CE1 4.42Å; F163-F358 HydrophobicContact CD1-CZ 4.08Å; F163-F358 AromaticContact CD2-CE1 3.84Å; F163-F358 HydrophobicContact CD2-CE1 3.84Å; F163-F358 AromaticContact CD2-CZ 3.77Å; F163-F358 HydrophobicContact CD2-CZ 3.77Å; F163-F358 HydrophobicContact CE1-CZ 4.05Å; F163-F358 HydrophobicContact CE2-CE1 4.22Å; F163-F358 AromaticContact CE2-CZ 3.72Å; F163-F358 HydrophobicContact CE2-CZ 3.72Å; F163-F358 HydrophobicContact CG-CE1 4.02Å; F163-F358 AromaticContact CG-CZ 3.97Å; F163-F358 HydrophobicContact CG-CZ 3.97Å; F163-F358 AromaticContact CZ-CZ 3.88Å; F163-F358 HydrophobicContact CZ-CZ 3.88Å; N184-F358 HydrophobicContact CB-CD1 4.44Å; N184-F358 HydrophobicContact CB-CE1 3.79Å; N184-F358 VanDerWaalsContact ND2-CD1 3.34Å; N184-F358 WeakPolarHBondContact ND2-CD1 3.36Å; L187-F358 HydrophobicContact CD1-CD1 4.1Å; L187-F358 HydrophobicContact CD1-CE1 4.09Å; L187-F358 HydrophobicContact CD2-CB 4.13Å; L187-F358 HydrophobicContact CD2-CD1 3.81Å; L187-F358 HydrophobicContact CD2-CG 4.19Å; L187-F358 HydrophobicContact CG-CD1 4.38Å; Y354-F358 PolarHBondContact O-N 3.43Å; S355-F358 PolarHBondContact O-N 3.18Å; R356-F358 VanDerWaalsContact C-N 3.3Å; R356-F358 PolarHBondContact O-N 3.34Å; F358-W360 VanDerWaalsContact C-N 3.31Å; F358-W360 PolarHBondContact O-N 2.79Å; F358-L361 WeakPolarHBondContact O-CB 3.35Å; F358-L361 PolarHBondContact O-N 3.37Å; F358-V362 WeakPolarHBondContact O-CG2 3.35Å; F358-V362 PolarHBondContact O-N 2.93Å; F358-V362 VanDerWaalsContact O-N 3.08Å
359S92.3Very high91.4Very high45 Ų4523.8 Ų23.832%0.31512%0.123SC..Hα-helixtrans-64.8-34.1175.2-64.30000112.8N184 S355 R356 V362 T363N184-S359 PolarHBondContact ND2-OG 3.06Å; N184-S359 VanDerWaalsContact ND2-OG 3.16Å; S355-S359 PolarHBondContact O-N 3.18Å; S355-S359 VanDerWaalsContact O-N 3.07Å; S355-S359 PolarHBondContact O-OG 2.88Å; R356-S359 PolarHBondContact O-N 2.85Å; S359-V362 PolarHBondContact O-N 3.2Å; S359-T363 PolarHBondContact O-N 2.6Å; S359-T363 PolarHBondContact O-OG1 3.33Å
360W94.8Very high91Very high37 Ų3730 Ų3014%0.1415%0.15CC..Hα-helixtrans-66.7-43173.6178.792.7000111.6F260 V268 R356 L357 F358 V362 T363 R364 L546 L550F260-W360 HydrophobicContact CE1-CH2 4.16Å; F260-W360 AromaticContact CE1-CZ3 3.86Å; F260-W360 HydrophobicContact CE1-CZ3 3.86Å; V268-W360 HydrophobicContact CG2-CE3 4.39Å; V268-W360 HydrophobicContact CG2-CH2 4.42Å; V268-W360 HydrophobicContact CG2-CZ3 3.63Å; R356-W360 WeakPolarHBondContact O-CB 3.46Å; R356-W360 PolarHBondContact O-N 2.87Å; L357-W360 HydrophobicContact CD1-CE3 4.37Å; L357-W360 PolarHBondContact O-N 3.42Å; F358-W360 VanDerWaalsContact C-N 3.31Å; F358-W360 PolarHBondContact O-N 2.79Å; W360-V362 VanDerWaalsContact C-N 3.3Å; W360-V362 PolarHBondContact O-N 3.27Å; W360-T363 WeakPolarHBondContact O-CB 3.44Å; W360-T363 PolarHBondContact O-N 3.44Å; W360-T363 VanDerWaalsContact O-N 3.09Å; W360-R364 HydrophobicContact CD2-CB 4.48Å; W360-R364 HydrophobicContact CE3-CB 4.47Å; W360-R364 HydrophobicContact CH2-CB 4.29Å; W360-R364 HydrophobicContact CH2-CG 4.02Å; W360-R364 HydrophobicContact CZ2-CB 4.3Å; W360-R364 HydrophobicContact CZ2-CG 4.19Å; W360-R364 HydrophobicContact CZ3-CB 4.38Å; W360-R364 HydrophobicContact CZ3-CG 4.46Å; W360-R364 WeakPolarHBondContact O-CB 3.2Å; W360-R364 PolarHBondContact O-N 2.86Å; W360-L546 HydrophobicContact CD2-CD1 3.45Å; W360-L546 VanDerWaalsContact CD2-CD1 3.45Å; W360-L546 HydrophobicContact CE3-CD1 3.93Å; W360-L546 HydrophobicContact CE3-CD2 4.47Å; W360-L546 HydrophobicContact CG-CD1 3.85Å; W360-L546 HydrophobicContact CH2-CD1 4.12Å; W360-L546 HydrophobicContact CZ2-CD1 3.65Å; W360-L546 HydrophobicContact CZ3-CD1 4.23Å; W360-L546 HydrophobicContact CZ3-CD2 4.36Å; W360-L550 HydrophobicContact CB-CD2 3.56Å; W360-L550 HydrophobicContact CG-CD2 4.02Å
361L94.2Very high90.1Very high1 Ų131 Ų311%0.00516%0.157CC..Hα-helixtrans-55.8-46.9173.5-74.2170000110.8F149 M255 F260 V268 L357 F358 T363 R364 I365F149-L361 HydrophobicContact CD1-CD1 3.69Å; F149-L361 HydrophobicContact CD2-CD1 3.81Å; F149-L361 HydrophobicContact CE1-CD1 3.67Å; F149-L361 HydrophobicContact CE2-CD1 3.8Å; F149-L361 HydrophobicContact CG-CD1 3.75Å; F149-L361 HydrophobicContact CZ-CD1 3.73Å; M255-L361 HydrophobicContact CE-CD2 4Å; F260-L361 HydrophobicContact CE1-CD2 3.7Å; F260-L361 HydrophobicContact CZ-CD2 3.82Å; V268-L361 HydrophobicContact CG1-CD1 4.5Å; V268-L361 HydrophobicContact CG1-CD2 4.23Å; V268-L361 HydrophobicContact CG2-CD2 3.91Å; L357-L361 HydrophobicContact CG-CD1 4.49Å; L357-L361 WeakPolarHBondContact O-CG 3.41Å; L357-L361 PolarHBondContact O-N 3.14Å; F358-L361 WeakPolarHBondContact O-CB 3.35Å; F358-L361 PolarHBondContact O-N 3.37Å; L361-T363 VanDerWaalsContact C-N 3.33Å; L361-T363 PolarHBondContact O-N 3.19Å; L361-R364 PolarHBondContact O-N 3.32Å; L361-I365 WeakPolarHBondContact O-CB 3.49Å; L361-I365 WeakPolarHBondContact O-CD1 3.38Å; L361-I365 WeakPolarHBondContact O-CG1 3.23Å; L361-I365 PolarHBondContact O-N 3.09Å
362V92.6Very high89.2Confident4 Ų439.7 Ų39.72%0.02420%0.199CC..Hα-helixtrans-60.2-43.6175.9174.20000111.4L146 I182 N184 F358 S359 W360 R364 I365 N366L146-V362 HydrophobicContact CD2-CG2 3.75Å; I182-V362 HydrophobicContact CB-CG1 4.23Å; I182-V362 HydrophobicContact CG2-CG1 4.09Å; I182-V362 WeakPolarHBondContact O-CG1 3.34Å; N184-V362 HydrophobicContact CB-CG2 4.1Å; F358-V362 WeakPolarHBondContact O-CG2 3.35Å; F358-V362 PolarHBondContact O-N 2.93Å; F358-V362 VanDerWaalsContact O-N 3.08Å; S359-V362 PolarHBondContact O-N 3.2Å; W360-V362 VanDerWaalsContact C-N 3.3Å; W360-V362 PolarHBondContact O-N 3.27Å; V362-R364 PolarHBondContact O-N 3.02Å; V362-I365 PolarHBondContact O-N 3.21Å; V362-N366 WeakPolarHBondContact O-CB 3.38Å; V362-N366 PolarHBondContact O-N 3.19Å; V362-N366 PolarHBondContact O-ND2 3.44Å
363T92.1Very high88.1Confident74 Ų7441.7 Ų41.745%0.45422%0.216SC..Hα-helixtrans-63.2-43.5178.3-57.20000111.6S359 W360 L361 N366 E367S359-T363 PolarHBondContact O-N 2.6Å; S359-T363 PolarHBondContact O-OG1 3.33Å; W360-T363 WeakPolarHBondContact O-CB 3.44Å; W360-T363 PolarHBondContact O-N 3.44Å; W360-T363 VanDerWaalsContact O-N 3.09Å; L361-T363 VanDerWaalsContact C-N 3.33Å; L361-T363 PolarHBondContact O-N 3.19Å; T363-N366 WeakPolarHBondContact O-CB 3.18Å; T363-N366 PolarHBondContact O-N 2.89Å; T363-N366 VanDerWaalsContact O-N 3.16Å; T363-E367 PolarHBondContact O-N 3.33Å
364R91.9Very high87Confident33 Ų3352.2 Ų52.213%0.12526%0.262CS..Hα-helixtrans-69-35.3179.6-17659.4-177.177.97.4112.6G259 F260 E264 W360 L361 V362 E367G259-R364 PolarHBondContact O-NH2 3.32Å; F260-R364 HydrophobicContact CD1-CG 4.09Å; F260-R364 HydrophobicContact CE1-CB 4.02Å; F260-R364 HydrophobicContact CE1-CG 3.5Å; F260-R364 HydrophobicContact CZ-CB 4.06Å; F260-R364 HydrophobicContact CZ-CG 3.81Å; E264-R364 IonicContact OE1-CZ 2.72Å; E264-R364 IonicContact OE1-NE 3.36Å; E264-R364 PolarHBondContact OE1-NE 2.86Å; E264-R364 IonicContact OE1-NH2 3.63Å; E264-R364 PolarHBondContact OE1-NH2 2.87Å; E264-R364 IonicContact OE2-CZ 3.79Å; E264-R364 IonicContact OE2-NE 2.91Å; E264-R364 PolarHBondContact OE2-NE 2.88Å; E264-R364 IonicContact OE2-NH2 3.78Å; E264-R364 PolarHBondContact OE2-NH2 3.01Å; W360-R364 HydrophobicContact CD2-CB 4.48Å; W360-R364 HydrophobicContact CE3-CB 4.47Å; W360-R364 HydrophobicContact CH2-CB 4.29Å; W360-R364 HydrophobicContact CH2-CG 4.02Å; W360-R364 HydrophobicContact CZ2-CB 4.3Å; W360-R364 HydrophobicContact CZ2-CG 4.19Å; W360-R364 HydrophobicContact CZ3-CB 4.38Å; W360-R364 HydrophobicContact CZ3-CG 4.46Å; W360-R364 WeakPolarHBondContact O-CB 3.2Å; W360-R364 PolarHBondContact O-N 2.86Å; L361-R364 PolarHBondContact O-N 3.32Å; V362-R364 PolarHBondContact O-N 3.02Å; R364-E367 WeakPolarHBondContact CD-OE2 3.25Å; R364-E367 IonicContact NE-OE2 3.93Å
365I91Very high86Confident0 Ų055.7 Ų55.70%028%0.283CS..Hα-helixtrans-63.2-46.6169.1-66.6162.8000109.2L146 I182 V258 F260 L361 V362 E367 S368L146-I365 HydrophobicContact CD2-CD1 4.1Å; L146-I365 HydrophobicContact CG-CD1 4.5Å; I182-I365 HydrophobicContact CD1-CG2 3.82Å; V258-I365 HydrophobicContact CG1-CB 4.26Å; V258-I365 HydrophobicContact CG1-CG1 3.94Å; V258-I365 HydrophobicContact CG1-CG2 3.98Å; F260-I365 HydrophobicContact CE2-CG1 3.81Å; F260-I365 HydrophobicContact CZ-CG1 3.95Å; L361-I365 WeakPolarHBondContact O-CB 3.49Å; L361-I365 WeakPolarHBondContact O-CD1 3.38Å; L361-I365 WeakPolarHBondContact O-CG1 3.23Å; L361-I365 PolarHBondContact O-N 3.09Å; V362-I365 PolarHBondContact O-N 3.21Å; I365-E367 VanDerWaalsContact C-N 3.29Å; I365-E367 PolarHBondContact O-N 2.86Å; I365-S368 WeakPolarHBondContact O-CB 3.38Å; I365-S368 PolarHBondContact O-N 3.35Å; I365-S368 PolarHBondContact O-OG 3.42Å
366N90.1Very high85.3Confident23 Ų2365.3 Ų65.312%0.12332%0.317CS..Hα-helixtrans-57.6-38.5179.4-72.2-23.4000113.1I182 V362 T363 S368 I369 K370I182-N366 WeakPolarHBondContact CB-OD1 3.47Å; I182-N366 PolarHBondContact N-OD1 2.86Å; I182-N366 PolarHBondContact O-ND2 3.03Å; I182-N366 PolarHBondContact O-OD1 3.45Å; V362-N366 WeakPolarHBondContact O-CB 3.38Å; V362-N366 PolarHBondContact O-N 3.19Å; V362-N366 PolarHBondContact O-ND2 3.44Å; T363-N366 WeakPolarHBondContact O-CB 3.18Å; T363-N366 PolarHBondContact O-N 2.89Å; T363-N366 VanDerWaalsContact O-N 3.16Å; N366-S368 PolarHBondContact O-N 3.34Å; N366-S368 VanDerWaalsContact O-N 3.16Å; N366-I369 WeakPolarHBondContact O-CG1 3.4Å; N366-I369 PolarHBondContact O-N 3.43Å; N366-I369 VanDerWaalsContact O-N 3.08Å; N366-K370 WeakPolarHBondContact O-CB 3.28Å; N366-K370 PolarHBondContact O-N 3.06Å
367E88.4Confident84.9Confident131 Ų13166.3 Ų66.361%0.61232%0.324SS*.Hα-helixtrans-57.5-29.3175.7-71.2172.6176.200113.1T363 R364 I365T363-E367 PolarHBondContact O-N 3.33Å; R364-E367 WeakPolarHBondContact CD-OE2 3.25Å; R364-E367 IonicContact NE-OE2 3.93Å; I365-E367 VanDerWaalsContact C-N 3.29Å; I365-E367 PolarHBondContact O-N 2.86Å
368S82.8Confident84.6Confident36 Ų3666.7 Ų66.725%0.25233%0.326SS..Hα-helixtrans-80-23.5178.175.90000114.4V258 I365 N366V258-S368 WeakPolarHBondContact O-CB 3.47Å; V258-S368 PolarHBondContact O-OG 2.9Å; I365-S368 WeakPolarHBondContact O-CB 3.38Å; I365-S368 PolarHBondContact O-N 3.35Å; I365-S368 PolarHBondContact O-OG 3.42Å; N366-S368 PolarHBondContact O-N 3.34Å; N366-S368 VanDerWaalsContact O-N 3.16Å
369I81.6Confident84.4Confident5 Ų567.2 Ų67.23%0.02633%0.329CS..Hα-helixtrans-112.4-14.6-173.256168.1000114Q138 L139 G179 G180 I182 N366Q138-I369 HydrophobicContact CB-CG2 3.75Å; L139-I369 HydrophobicContact CD2-CD1 3.71Å; G179-I369 CarbonylContact C-O 3.05Å; G179-I369 WeakPolarHBondContact CA-O 3.36Å; G180-I369 PolarHBondContact N-O 3.24Å; G180-I369 VanDerWaalsContact O-CD1 3.3Å; G180-I369 WeakPolarHBondContact O-CD1 3.34Å; G180-I369 VanDerWaalsContact O-CG1 3.25Å; G180-I369 WeakPolarHBondContact O-CG1 3.42Å; I182-I369 HydrophobicContact CD1-CD1 4.22Å; I182-I369 HydrophobicContact CG1-CD1 4.04Å; N366-I369 WeakPolarHBondContact O-CG1 3.4Å; N366-I369 PolarHBondContact O-N 3.43Å; N366-I369 VanDerWaalsContact O-N 3.08Å
370K82.4Confident84.3Confident133 Ų13365.1 Ų65.158%0.57831%0.314SS*.SBendtrans-67.4139.8-174.6-172174.4-172.4175.20111.6N366 Q372N366-K370 WeakPolarHBondContact O-CB 3.28Å; N366-K370 PolarHBondContact O-N 3.06Å; K370-Q372 PolarHBondContact O-N 3.46Å
371A74Confident84.1Confident19 Ų1963.4 Ų63.416%0.15731%0.308CS..  trans-60.4131.1174.700000111.5E170 L178E170-A371 WeakPolarHBondContact OE2-CB 3.09Å; L178-A371 HydrophobicContact CB-CB 3.73Å
372Q71.2Confident83.9Confident204 Ų20463.4 Ų63.495%0.95331%0.308SS*.SBendtrans-76.5-22.8179.8-66.4-172.5-11.300113.1K370K370-Q372 PolarHBondContact O-N 3.46Å
373A67.1Low83.8Confident51 Ų5163.3 Ų63.342%0.42131%0.307SS..SBendtrans-93.5129.3-177.700000111.5T375A373-T375 HydrophobicContact CB-CG2 4.25Å; A373-T375 PolarHBondContact O-N 3.06Å
374K70.5Confident83.7Confident223 Ų22360.1 Ų60.197%0.9729%0.287SS*.  trans-7745.4170.1-72.6-174.9178178.60112.1
375T73.3Confident83.3Confident74 Ų7458.5 Ų58.545%0.45428%0.281SS..  trans-87.4154.8175.244.60000110.3A373 H377A373-T375 HydrophobicContact CB-CG2 4.25Å; A373-T375 PolarHBondContact O-N 3.06Å; T375-H377 PolarHBondContact O-N 2.79Å; T375-H377 PolarHBondContact O-ND1 3.41Å; T375-H377 VanDerWaalsContact O-ND1 3.13Å
376R78.5Confident82.6Confident218 Ų21859.4 Ų59.482%0.82329%0.285SS*.  trans-61126170.1-172.5178179.4-176.6-1.5108.2
377H84.3Confident82.1Confident80 Ų8058.6 Ų58.637%0.3728%0.282SS..  trans-123.4159.8-178.552.6-86.7000109.9F171 L178 T375F171-H377 CarbonylContact O-C 3.59Å; F171-H377 WeakPolarHBondContact O-CA 3.37Å; F171-H377 WeakPolarHBondContact O-CB 3.25Å; L178-H377 HydrophobicContact CD1-CB 3.84Å; T375-H377 PolarHBondContact O-N 2.79Å; T375-H377 PolarHBondContact O-ND1 3.41Å; T375-H377 VanDerWaalsContact O-ND1 3.13Å
378K89.3Confident81.9Confident9 Ų952.5 Ų52.54%0.03925%0.254CS..EExtended strand (participates in β ladder)trans-108.2153.7169.7-39.9-179.6-152.2-179.70108L92 D96 D98 E170 F171 D172 F173L92-K378 HydrophobicContact CD1-CB 3.51Å; L92-K378 HydrophobicContact CD1-CD 4.34Å; L92-K378 HydrophobicContact CG-CB 4.25Å; L92-K378 HydrophobicContact CG-CD 4.39Å; L92-K378 VanDerWaalsContact O-CD 3.29Å; L92-K378 WeakPolarHBondContact O-CD 3.28Å; L92-K378 PolarHBondContact O-NZ 2.78Å; D96-K378 HydrophobicContact CB-CD 4.45Å; D96-K378 VanDerWaalsContact OD1-CE 3.25Å; D96-K378 WeakPolarHBondContact OD1-CE 3.38Å; D96-K378 IonicContact OD1-NZ 3.24Å; D96-K378 PolarHBondContact OD1-NZ 2.99Å; D98-K378 WeakPolarHBondContact OD1-CA 3.42Å; E170-K378 CarbonylContact C-O 3.59Å; F171-K378 PolarHBondContact N-O 3.48Å; F171-K378 PolarHBondContact O-N 2.89Å; D172-K378 WeakPolarHBondContact O-CE 3.17Å; F173-K378 WeakPolarHBondContact O-CE 3.1Å; F173-K378 PolarHBondContact O-NZ 3.34Å
379V90Very high82Confident11 Ų1152 Ų527%0.06725%0.247CC..EExtended strand (participates in β ladder)trans-124.4134.4-173.71780000111.5L92 D98 Q99 D168 E170L92-V379 WeakPolarHBondContact CD1-O 3.4Å; D98-V379 CarbonylContact C-O 3.53Å; D98-V379 WeakPolarHBondContact CA-O 3.48Å; D98-V379 HydrophobicContact CB-CB 4.48Å; D98-V379 PolarHBondContact OD1-N 3.01Å; Q99-V379 PolarHBondContact N-O 2.81Å; D168-V379 HydrophobicContact CB-CG1 3.66Å; D168-V379 WeakPolarHBondContact OD1-CG1 3.47Å; E170-V379 HydrophobicContact CG-CG2 4.43Å
380M90.2Very high82.1Confident2 Ų253.4 Ų53.41%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-113.1101.3162.5-170161179.200109.6A88 L92 Q99 I101 V118 V122 I169 F171A88-M380 HydrophobicContact CB-CE 3.66Å; L92-M380 HydrophobicContact CD2-CB 4.2Å; Q99-M380 HydrophobicContact CB-CG 4.34Å; I101-M380 HydrophobicContact CD1-CE 3.43Å; I101-M380 VanDerWaalsContact CD1-CE 3.43Å; V118-M380 HydrophobicContact CG1-CE 4.15Å; V122-M380 HydrophobicContact CB-SD 4.43Å; V122-M380 HydrophobicContact CG1-SD 4.11Å; V122-M380 HydrophobicContact CG2-CE 3.37Å; V122-M380 HydrophobicContact CG2-SD 3.42Å; V122-M380 WeakPolarHBondContact CG2-SD 3.23Å; I169-M380 PolarHBondContact N-O 2.88Å; I169-M380 PolarHBondContact O-N 2.79Å; F171-M380 HydrophobicContact CD2-CB 4.46Å; F171-M380 HydrophobicContact CE2-CB 3.79Å
381G90.1Very high82Confident0 Ų049.8 Ų49.80%024%0.239CC..EExtended strand (participates in β ladder)trans-89.7145.5178.700000112.7Q99 C100 I101 M167 D168Q99-G381 PolarHBondContact O-N 3.5Å; C100-G381 CarbonylContact C-O 3.59Å; C100-G381 WeakPolarHBondContact CA-O 3.4Å; I101-G381 PolarHBondContact N-O 2.95Å; M167-G381 CarbonylContact O-C 3.5Å; M167-G381 VanDerWaalsContact O-CA 3.32Å; M167-G381 WeakPolarHBondContact O-CA 3.46Å; D168-G381 WeakPolarHBondContact OD1-CA 3.33Å
382V91.5Very high82.3Confident2 Ų257.1 Ų57.11%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-121.9118.8165.5-174.60000108.5I101 I103 S115 V118 M119 Y166 M167I101-V382 CarbonylContact O-C 3.48Å; I101-V382 WeakPolarHBondContact O-CA 3.4Å; I103-V382 HydrophobicContact CD1-CG1 3.57Å; I103-V382 HydrophobicContact CG1-CG1 4.09Å; S115-V382 WeakPolarHBondContact OG-CG1 3.37Å; V118-V382 HydrophobicContact CG1-CG2 4.09Å; M119-V382 HydrophobicContact CE-CB 4.22Å; M119-V382 HydrophobicContact CE-CG2 4.07Å; M119-V382 HydrophobicContact CG-CG2 4.4Å; Y166-V382 WeakPolarHBondContact CA-O 3.46Å; M167-V382 PolarHBondContact N-O 2.98Å; M167-V382 PolarHBondContact O-N 2.97Å
383L90.5Very high82.7Confident1 Ų151.5 Ų51.51%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-103.2106.5178.5-177.451.2000109.6I101 L102 I103 Y166 L578I101-L383 PolarHBondContact O-N 3.13Å; L102-L383 HydrophobicContact CD1-CB 3.96Å; L102-L383 HydrophobicContact CD1-CD2 3.65Å; L102-L383 HydrophobicContact CD1-CG 3.65Å; I103-L383 PolarHBondContact N-O 2.93Å; Y166-L383 HydrophobicContact CD2-CB 3.65Å; Y166-L383 HydrophobicContact CD2-CD1 3.9Å; Y166-L383 HydrophobicContact CD2-CG 4.24Å; Y166-L383 HydrophobicContact CE2-CB 4.12Å; Y166-L383 HydrophobicContact CG-CD1 4.31Å; L383-L578 HydrophobicContact CD1-CD1 3.98Å; L383-L578 HydrophobicContact CD2-CD1 3.71Å; L383-L578 HydrophobicContact CD2-CD2 4.44Å; L383-L578 HydrophobicContact CD2-CG 4.33Å
384D88.6Confident83.7Confident7 Ų749.2 Ų49.24%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-95.3108170.4-171.5-7.8000108.3K111 K165K111-D384 WeakPolarHBondContact CB-OD1 3.44Å; K111-D384 WeakPolarHBondContact CD-OD1 3.42Å; K111-D384 WeakPolarHBondContact CE-OD1 3.25Å; K165-D384 PolarHBondContact N-O 2.96Å; K165-D384 PolarHBondContact O-N 3.39Å
385I83.6Confident84.5Confident0 Ų039.5 Ų39.50%019%0.187CC..  trans-123.3151.1178.7-159.8171.6000110.6L102 I103 T104 C404 L408 L578L102-I385 HydrophobicContact CD1-CG2 3.83Å; I103-I385 PolarHBondContact O-N 3.48Å; T104-I385 HydrophobicContact CG2-CG2 3.71Å; I385-C404 WeakPolarHBondContact CD1-SG 3.19Å; I385-L408 HydrophobicContact CD1-CD1 3.71Å; I385-L408 HydrophobicContact CG2-CD1 3.75Å; I385-L578 HydrophobicContact CD1-CD2 4.02Å
386Y76.5Confident85.2Confident19 Ų1936.2 Ų36.28%0.07517%0.167CC..  trans-60.8141.9172.841.7-108.5000111.2L186 I401 C404 N405L186-Y386 HydrophobicContact CB-CE1 4.21Å; L186-Y386 WeakPolarHBondContact CB-OH 3.32Å; L186-Y386 WeakPolarHBondContact CD1-OH 3.42Å; Y386-I401 HydrophobicContact CD2-CB 4.08Å; Y386-I401 HydrophobicContact CD2-CG1 3.8Å; Y386-I401 HydrophobicContact CD2-CG2 3.59Å; Y386-I401 HydrophobicContact CE1-CG1 4.46Å; Y386-I401 HydrophobicContact CE2-CB 3.89Å; Y386-I401 HydrophobicContact CE2-CG1 3.56Å; Y386-I401 HydrophobicContact CE2-CG2 3.88Å; Y386-I401 HydrophobicContact CG-CG1 4.34Å; Y386-I401 HydrophobicContact CG-CG2 4.49Å; Y386-C404 HydrophobicContact CE2-CB 4.4Å; Y386-N405 PolarHBondContact O-ND2 3.08Å; Y386-N405 VanDerWaalsContact O-ND2 3.15Å
387G80.1Confident85.4Confident6 Ų627.1 Ų27.16%0.06213%0.133CC..  trans-75.7176.4173.200000112.4G105 I401 N405G105-G387 PolarHBondContact O-N 3.06Å; G387-I401 WeakPolarHBondContact O-CG2 3.25Å; G387-N405 PolarHBondContact O-ND2 2.78Å
388F84.9Confident85.5Confident3 Ų324 Ų241%0.01312%0.119CC..  trans-60.4137.8173.5-160.3-83.3000110.8I390 N402 N405 H511 Y512 A513 V516 Y615F388-I390 HydrophobicContact CD1-CD1 4.2Å; F388-I390 HydrophobicContact CD1-CG1 3.77Å; F388-I390 HydrophobicContact CE1-CD1 3.76Å; F388-I390 HydrophobicContact CE1-CG1 3.53Å; F388-N402 WeakPolarHBondContact CD1-OD1 3.49Å; F388-N402 HydrophobicContact CD2-CB 4.15Å; F388-N402 HydrophobicContact CE1-CB 4.49Å; F388-N402 HydrophobicContact CE2-CB 3.63Å; F388-N402 WeakPolarHBondContact CG-OD1 3.32Å; F388-N402 HydrophobicContact CZ-CB 3.82Å; F388-N402 VanDerWaalsContact CZ-CG 3.49Å; F388-N405 HydrophobicContact CD2-CB 3.97Å; F388-H511 HydrophobicContact CE2-CB 3.82Å; F388-H511 AromaticContact CE2-CG 3.89Å; F388-H511 AromaticContact CE2-ND1 3.88Å; F388-H511 HydrophobicContact CZ-CB 3.49Å; F388-H511 VanDerWaalsContact CZ-CB 3.49Å; F388-H511 AromaticContact CZ-CD2 3.97Å; F388-H511 AromaticContact CZ-CG 3.55Å; F388-H511 AromaticContact CZ-ND1 3.96Å; F388-Y512 AromaticContact CD2-CE1 3.79Å; F388-Y512 HydrophobicContact CD2-CE1 3.79Å; F388-Y512 HydrophobicContact CE2-CD1 4.48Å; F388-Y512 HydrophobicContact CE2-CE1 4.09Å; F388-A513 HydrophobicContact CD1-CB 3.71Å; F388-A513 HydrophobicContact CD2-CB 4.09Å; F388-A513 HydrophobicContact CE1-CB 3.7Å; F388-A513 HydrophobicContact CE2-CB 4.08Å; F388-A513 HydrophobicContact CG-CB 3.92Å; F388-A513 HydrophobicContact CZ-CB 3.91Å; F388-V516 HydrophobicContact CE1-CG2 3.65Å; F388-V516 HydrophobicContact CZ-CG2 3.76Å; F388-Y615 WeakPolarHBondContact CB-O 3.47Å; F388-Y615 HydrophobicContact CD1-CD1 4.44Å
389E83.4Confident85.6Confident25 Ų2523.5 Ų23.512%0.11712%0.117CC..  trans-117.2125.1-178.3-73-172.2174.700110.9R162 F391 Q398 I401 N402R162-E389 IonicContact CZ-OE1 3.52Å; R162-E389 IonicContact NH1-OE1 2.81Å; R162-E389 PolarHBondContact NH1-OE1 3.16Å; R162-E389 IonicContact NH1-OE2 3.85Å; E389-F391 HydrophobicContact CB-CE1 4.43Å; E389-F391 HydrophobicContact CB-CZ 4.32Å; E389-F391 HydrophobicContact CG-CZ 4.17Å; E389-Q398 HydrophobicContact CB-CG 3.99Å; E389-Q398 PolarHBondContact OE2-NE2 3.01Å; E389-I401 HydrophobicContact CB-CG2 4.33Å; E389-I401 HydrophobicContact CG-CG2 4.12Å; E389-I401 WeakPolarHBondContact OE2-CD1 3.36Å; E389-N402 PolarHBondContact N-OD1 2.92Å; E389-N402 PolarHBondContact O-ND2 3.22Å; E389-N402 PolarHBondContact O-OD1 3.05Å
390I83.9Confident85.6Confident34 Ų3423.3 Ų23.317%0.17412%0.115CC..  trans-126.7111.3166.9-48.8-173.3000108.9F388 V516 Y615F388-I390 HydrophobicContact CD1-CD1 4.2Å; F388-I390 HydrophobicContact CD1-CG1 3.77Å; F388-I390 HydrophobicContact CE1-CD1 3.76Å; F388-I390 HydrophobicContact CE1-CG1 3.53Å; I390-V516 HydrophobicContact CD1-CG2 3.86Å; I390-V516 HydrophobicContact CG1-CG2 3.97Å; I390-Y615 HydrophobicContact CB-CE1 4.11Å; I390-Y615 HydrophobicContact CD1-CD1 4.05Å; I390-Y615 HydrophobicContact CD1-CE1 3.5Å; I390-Y615 HydrophobicContact CG1-CD1 4.29Å; I390-Y615 HydrophobicContact CG1-CE1 3.74Å
391F81.2Confident85.4Confident57 Ų5723.6 Ų23.625%0.2512%0.117CC..  trans-108170.9173.2-60.1-21.1000110.7E389 N394 Q398E389-F391 HydrophobicContact CB-CE1 4.43Å; E389-F391 HydrophobicContact CB-CZ 4.32Å; E389-F391 HydrophobicContact CG-CZ 4.17Å; F391-N394 PolarHBondContact N-OD1 2.97Å; F391-N394 PolarHBondContact O-ND2 3.3Å; F391-Q398 HydrophobicContact CD2-CG 4.06Å; F391-Q398 HydrophobicContact CE2-CG 4.27Å
392E79.3Confident85.5Confident173 Ų17323.6 Ų23.681%0.80812%0.117SC*.SBendtrans-61.8-40.1169.6-169.1171.4-174.500110.1
393D80.3Confident85.5Confident86 Ų8623.6 Ų23.646%0.4612%0.116SC..SBendtrans-117.998.1177-60.3-25.3000110.3R519D393-R519 VanDerWaalsContact CG-NE 3.34Å; D393-R519 IonicContact OD1-CZ 3.24Å; D393-R519 IonicContact OD1-NE 2.67Å; D393-R519 PolarHBondContact OD1-NE 3.19Å; D393-R519 IonicContact OD1-NH2 3.13Å; D393-R519 PolarHBondContact OD1-NH2 3.41Å
394N87.1Confident85.5Confident3 Ų323.5 Ų23.52%0.01612%0.116CC..BIsolated β-bridgetrans-92.4132.7174.3-51.3-78.3000110F391 Q398 V516 L517 Y518 R519F391-N394 PolarHBondContact N-OD1 2.97Å; F391-N394 PolarHBondContact O-ND2 3.3Å; N394-Q398 HydrophobicContact CB-CB 3.97Å; N394-Q398 HydrophobicContact CB-CG 4.26Å; N394-V516 HydrophobicContact CB-CG1 4.17Å; N394-L517 VanDerWaalsContact CB-O 3.3Å; N394-L517 WeakPolarHBondContact CB-O 3.46Å; N394-L517 PolarHBondContact ND2-O 2.77Å; N394-Y518 HydrophobicContact CB-CD1 3.59Å; N394-Y518 HydrophobicContact CB-CE1 3.91Å; N394-Y518 HydrophobicContact CB-CG 4.41Å; N394-Y518 WeakPolarHBondContact O-CA 3.42Å; N394-R519 PolarHBondContact O-N 3.39Å
395S88.6Confident85.5Confident19 Ų1923.4 Ų23.413%0.13312%0.115CC..  trans-120.2-173.7-177.1167.10000110.5E397 Q398 F399 K526S395-E397 WeakPolarHBondContact CB-OE2 3.37Å; S395-E397 PolarHBondContact O-N 3.42Å; S395-E397 PolarHBondContact OG-OE2 3.34Å; S395-Q398 PolarHBondContact O-N 3.11Å; S395-Q398 VanDerWaalsContact O-N 3.15Å; S395-F399 PolarHBondContact O-N 3.04Å; S395-K526 PolarHBondContact OG-NZ 3.12Å
396F87.2Confident85.9Confident6 Ų623.4 Ų23.43%0.02612%0.115CC..Hα-helixtrans-50-37176.3-179.6-105.5000113.4F399 I400 L454 L457 F523 K526 A567 F571F396-F399 WeakPolarHBondContact O-CB 3.41Å; F396-F399 PolarHBondContact O-N 2.88Å; F396-I400 HydrophobicContact CD1-CG1 4.42Å; F396-I400 HydrophobicContact CE1-CG1 3.97Å; F396-I400 HydrophobicContact CE2-CD1 4.02Å; F396-I400 HydrophobicContact CE2-CG1 4.09Å; F396-I400 HydrophobicContact CZ-CD1 3.88Å; F396-I400 HydrophobicContact CZ-CG1 3.8Å; F396-I400 WeakPolarHBondContact O-CG1 3.36Å; F396-I400 PolarHBondContact O-N 3.29Å; F396-L454 HydrophobicContact CE2-CD2 4.47Å; F396-L457 HydrophobicContact CD2-CD2 3.93Å; F396-L457 HydrophobicContact CE2-CD2 3.56Å; F396-F523 HydrophobicContact CB-CD1 4.31Å; F396-F523 HydrophobicContact CB-CD2 4.12Å; F396-F523 HydrophobicContact CB-CE1 4.32Å; F396-F523 HydrophobicContact CB-CE2 4.13Å; F396-F523 HydrophobicContact CB-CG 4.22Å; F396-F523 HydrophobicContact CB-CZ 4.23Å; F396-F523 AromaticContact CD2-CD1 3.88Å; F396-F523 HydrophobicContact CD2-CD1 3.88Å; F396-F523 HydrophobicContact CD2-CE1 4.01Å; F396-F523 HydrophobicContact CD2-CG 4.46Å; F396-K526 HydrophobicContact CB-CB 4.21Å; F396-K526 HydrophobicContact CB-CD 3.93Å; F396-K526 HydrophobicContact CD1-CB 3.84Å; F396-K526 HydrophobicContact CG-CB 4.19Å; F396-A567 HydrophobicContact CE1-CB 4.33Å; F396-A567 HydrophobicContact CZ-CB 4.45Å; F396-F571 HydrophobicContact CE1-CD2 4.37Å; F396-F571 HydrophobicContact CE1-CE2 4.18Å; F396-F571 HydrophobicContact CZ-CD2 4.46Å
397E83.1Confident86.6Confident26 Ų2623.9 Ų23.912%0.12112%0.118CC..Hα-helixtrans-62.4-50178.1-63.784.9171.200112E188 S190 S395 F399 I400 I401 K526E188-E397 HydrophobicContact CG-CG 4.24Å; S190-E397 PolarHBondContact OG-OE1 3.2Å; S395-E397 WeakPolarHBondContact CB-OE2 3.37Å; S395-E397 PolarHBondContact O-N 3.42Å; S395-E397 PolarHBondContact OG-OE2 3.34Å; E397-F399 VanDerWaalsContact C-N 3.26Å; E397-F399 PolarHBondContact O-N 3.34Å; E397-I400 PolarHBondContact O-N 3.13Å; E397-I401 WeakPolarHBondContact O-CD1 3.38Å; E397-I401 WeakPolarHBondContact O-CG1 3.48Å; E397-I401 PolarHBondContact O-N 3.28Å; E397-K526 VanDerWaalsContact CD-NZ 3.29Å; E397-K526 WeakPolarHBondContact OE1-CD 3.34Å; E397-K526 VanDerWaalsContact OE1-CE 3.31Å; E397-K526 WeakPolarHBondContact OE1-CE 3.41Å; E397-K526 IonicContact OE1-NZ 3.13Å; E397-K526 PolarHBondContact OE1-NZ 3.33Å; E397-K526 IonicContact OE2-NZ 3.9Å; E397-K526 PolarHBondContact OE2-NZ 3.28Å
398Q86.7Confident87.1Confident14 Ų1423.9 Ų23.97%0.06512%0.116CC..Hα-helixtrans-62.6-37175.8-75.366.349.500110.9E389 F391 N394 S395 I400 I401 N402 Y518E389-Q398 HydrophobicContact CB-CG 3.99Å; E389-Q398 PolarHBondContact OE2-NE2 3.01Å; F391-Q398 HydrophobicContact CD2-CG 4.06Å; F391-Q398 HydrophobicContact CE2-CG 4.27Å; N394-Q398 HydrophobicContact CB-CB 3.97Å; N394-Q398 HydrophobicContact CB-CG 4.26Å; S395-Q398 PolarHBondContact O-N 3.11Å; S395-Q398 VanDerWaalsContact O-N 3.15Å; Q398-I400 PolarHBondContact O-N 3.42Å; Q398-I401 PolarHBondContact O-N 2.71Å; Q398-N402 VanDerWaalsContact O-CB 3.28Å; Q398-N402 WeakPolarHBondContact O-CB 3.45Å; Q398-N402 PolarHBondContact O-N 2.94Å; Q398-N402 PolarHBondContact O-ND2 3.01Å; Q398-Y518 HydrophobicContact CB-CE1 4.23Å
399F91.6Very high87.2Confident0 Ų023.9 Ų23.90%012%0.117CC..Hα-helixtrans-59.4-46.8177.5178.2-100.2000112S395 F396 E397 Y403 I446 I453 L454 F507 I509 Y518 F523S395-F399 PolarHBondContact O-N 3.04Å; F396-F399 WeakPolarHBondContact O-CB 3.41Å; F396-F399 PolarHBondContact O-N 2.88Å; E397-F399 VanDerWaalsContact C-N 3.26Å; E397-F399 PolarHBondContact O-N 3.34Å; F399-Y403 VanDerWaalsContact O-CB 3.31Å; F399-Y403 WeakPolarHBondContact O-CB 3.36Å; F399-Y403 PolarHBondContact O-N 3.4Å; F399-I446 HydrophobicContact CE1-CG2 4.02Å; F399-I446 HydrophobicContact CE2-CD1 4.32Å; F399-I446 HydrophobicContact CE2-CG1 4.15Å; F399-I446 HydrophobicContact CZ-CB 4.35Å; F399-I446 HydrophobicContact CZ-CD1 4.46Å; F399-I446 HydrophobicContact CZ-CG1 4.01Å; F399-I446 HydrophobicContact CZ-CG2 3.65Å; F399-I453 HydrophobicContact CE1-CG2 4.2Å; F399-I453 HydrophobicContact CE2-CD1 4.11Å; F399-I453 HydrophobicContact CE2-CG2 4.18Å; F399-I453 HydrophobicContact CZ-CB 3.92Å; F399-I453 HydrophobicContact CZ-CD1 4.2Å; F399-I453 HydrophobicContact CZ-CG2 3.58Å; F399-L454 HydrophobicContact CD1-CD2 4.49Å; F399-L454 HydrophobicContact CE1-CD2 3.78Å; F399-L454 HydrophobicContact CE1-CG 4.11Å; F399-F507 HydrophobicContact CD2-CE2 4.43Å; F399-F507 HydrophobicContact CD2-CZ 4.37Å; F399-F507 HydrophobicContact CE2-CE2 4.37Å; F399-F507 HydrophobicContact CE2-CZ 4.48Å; F399-I509 HydrophobicContact CD2-CD1 4.3Å; F399-I509 HydrophobicContact CE2-CD1 3.69Å; F399-Y518 HydrophobicContact CB-CD1 3.99Å; F399-Y518 HydrophobicContact CB-CE1 3.78Å; F399-Y518 HydrophobicContact CD2-CD1 4.48Å; F399-Y518 HydrophobicContact CD2-CD2 4.42Å; F399-Y518 HydrophobicContact CD2-CE1 4.25Å; F399-Y518 HydrophobicContact CD2-CE2 4.16Å; F399-F523 HydrophobicContact CB-CE1 4.31Å; F399-F523 HydrophobicContact CB-CZ 4.09Å; F399-F523 HydrophobicContact CD1-CE1 4.34Å; F399-F523 HydrophobicContact CG-CE1 4.21Å; F399-F523 HydrophobicContact CG-CZ 4.4Å
400I89Confident87.5Confident6 Ų624 Ų243%0.03112%0.117CC..Hα-helixtrans-66.5-40.9175.7-62.7-60.7000111.7F396 E397 Q398 Y403 C404 L454 F571F396-I400 HydrophobicContact CD1-CG1 4.42Å; F396-I400 HydrophobicContact CE1-CG1 3.97Å; F396-I400 HydrophobicContact CE2-CD1 4.02Å; F396-I400 HydrophobicContact CE2-CG1 4.09Å; F396-I400 HydrophobicContact CZ-CD1 3.88Å; F396-I400 HydrophobicContact CZ-CG1 3.8Å; F396-I400 WeakPolarHBondContact O-CG1 3.36Å; F396-I400 PolarHBondContact O-N 3.29Å; E397-I400 PolarHBondContact O-N 3.13Å; Q398-I400 PolarHBondContact O-N 3.42Å; I400-Y403 PolarHBondContact O-N 2.93Å; I400-C404 PolarHBondContact O-N 3.04Å; I400-L454 HydrophobicContact CD1-CD2 3.92Å; I400-F571 HydrophobicContact CD1-CB 4.16Å; I400-F571 HydrophobicContact CD1-CD2 4.24Å; I400-F571 HydrophobicContact CD1-CG 4.45Å; I400-F571 HydrophobicContact CG1-CD2 4.05Å; I400-F571 HydrophobicContact CG1-CG 4.41Å; I400-F571 HydrophobicContact CG2-CB 3.9Å; I400-F571 HydrophobicContact CG2-CD1 3.88Å; I400-F571 HydrophobicContact CG2-CD2 4.14Å; I400-F571 HydrophobicContact CG2-CE1 4.43Å; I400-F571 HydrophobicContact CG2-CG 3.73Å
401I87.2Confident87.6Confident9 Ų922.6 Ų22.65%0.04611%0.11CC..Hα-helixtrans-60.1-47.4177.4-75.6161.9000111.1Y386 G387 E389 E397 Q398 C404 N405Y386-I401 HydrophobicContact CD2-CB 4.08Å; Y386-I401 HydrophobicContact CD2-CG1 3.8Å; Y386-I401 HydrophobicContact CD2-CG2 3.59Å; Y386-I401 HydrophobicContact CE1-CG1 4.46Å; Y386-I401 HydrophobicContact CE2-CB 3.89Å; Y386-I401 HydrophobicContact CE2-CG1 3.56Å; Y386-I401 HydrophobicContact CE2-CG2 3.88Å; Y386-I401 HydrophobicContact CG-CG1 4.34Å; Y386-I401 HydrophobicContact CG-CG2 4.49Å; G387-I401 WeakPolarHBondContact O-CG2 3.25Å; E389-I401 HydrophobicContact CB-CG2 4.33Å; E389-I401 HydrophobicContact CG-CG2 4.12Å; E389-I401 WeakPolarHBondContact OE2-CD1 3.36Å; E397-I401 WeakPolarHBondContact O-CD1 3.38Å; E397-I401 WeakPolarHBondContact O-CG1 3.48Å; E397-I401 PolarHBondContact O-N 3.28Å; Q398-I401 PolarHBondContact O-N 2.71Å; I401-C404 PolarHBondContact O-N 3.17Å; I401-N405 PolarHBondContact O-N 2.86Å; I401-N405 PolarHBondContact O-ND2 3.05Å
402N91.2Very high87.9Confident0 Ų019.9 Ų19.90%010%0.098CC..Hα-helixtrans-71-38.5-178.2-69.2-17.2000111.2F388 E389 Q398 C404 N405 E406 Y518F388-N402 WeakPolarHBondContact CD1-OD1 3.49Å; F388-N402 HydrophobicContact CD2-CB 4.15Å; F388-N402 HydrophobicContact CE1-CB 4.49Å; F388-N402 HydrophobicContact CE2-CB 3.63Å; F388-N402 WeakPolarHBondContact CG-OD1 3.32Å; F388-N402 HydrophobicContact CZ-CB 3.82Å; F388-N402 VanDerWaalsContact CZ-CG 3.49Å; E389-N402 PolarHBondContact N-OD1 2.92Å; E389-N402 PolarHBondContact O-ND2 3.22Å; E389-N402 PolarHBondContact O-OD1 3.05Å; Q398-N402 VanDerWaalsContact O-CB 3.28Å; Q398-N402 WeakPolarHBondContact O-CB 3.45Å; Q398-N402 PolarHBondContact O-N 2.94Å; Q398-N402 PolarHBondContact O-ND2 3.01Å; N402-C404 PolarHBondContact O-N 2.91Å; N402-N405 PolarHBondContact O-N 3.36Å; N402-E406 WeakPolarHBondContact O-CB 3.35Å; N402-E406 PolarHBondContact O-N 3.21Å; N402-Y518 WeakPolarHBondContact CB-OH 3.19Å; N402-Y518 PolarHBondContact ND2-OH 3.19Å
403Y92.2Very high88.1Confident1 Ų111.9 Ų11.90%0.0046%0.061CC..Hα-helixtrans-57-46.4170.5164.2-117.4000112.2F399 I400 N405 E406 K407 I446 E447 L454 V575F399-Y403 VanDerWaalsContact O-CB 3.31Å; F399-Y403 WeakPolarHBondContact O-CB 3.36Å; F399-Y403 PolarHBondContact O-N 3.4Å; I400-Y403 PolarHBondContact O-N 2.93Å; Y403-N405 VanDerWaalsContact C-N 3.34Å; Y403-N405 PolarHBondContact O-N 3.29Å; Y403-E406 WeakPolarHBondContact O-CB 3.3Å; Y403-E406 PolarHBondContact O-N 2.89Å; Y403-K407 HydrophobicContact CD2-CG 4.2Å; Y403-K407 HydrophobicContact CE2-CD 3.97Å; Y403-K407 HydrophobicContact CE2-CG 3.69Å; Y403-K407 PolarHBondContact O-N 2.74Å; Y403-I446 HydrophobicContact CD2-CB 3.97Å; Y403-I446 HydrophobicContact CD2-CD1 4.17Å; Y403-I446 HydrophobicContact CD2-CG2 3.46Å; Y403-I446 VanDerWaalsContact CD2-CG2 3.46Å; Y403-I446 HydrophobicContact CE2-CB 4.46Å; Y403-I446 HydrophobicContact CE2-CG2 4.02Å; Y403-I446 HydrophobicContact CG-CG2 3.75Å; Y403-E447 HydrophobicContact CE2-CB 3.79Å; Y403-E447 PolarHBondContact OH-OE2 3.24Å; Y403-L454 HydrophobicContact CE1-CD1 4.39Å; Y403-V575 HydrophobicContact CD1-CG2 4.4Å; Y403-V575 HydrophobicContact CE1-CB 4.14Å; Y403-V575 HydrophobicContact CE1-CG1 4.12Å; Y403-V575 HydrophobicContact CE1-CG2 4.02Å
404C89.9Confident88.3Confident0 Ų011 Ų110%05%0.054CC..Hα-helixtrans-62.1-42.2177.3-1740000111.9L186 I385 Y386 I400 I401 N402 E406 K407 L408 V575L186-C404 HydrophobicContact CD1-CB 4.11Å; L186-C404 VanDerWaalsContact CD1-SG 3.54Å; I385-C404 WeakPolarHBondContact CD1-SG 3.19Å; Y386-C404 HydrophobicContact CE2-CB 4.4Å; I400-C404 PolarHBondContact O-N 3.04Å; I401-C404 PolarHBondContact O-N 3.17Å; N402-C404 PolarHBondContact O-N 2.91Å; C404-E406 VanDerWaalsContact C-N 3.34Å; C404-K407 PolarHBondContact O-N 3.08Å; C404-L408 WeakPolarHBondContact O-CG 3.27Å; C404-L408 PolarHBondContact O-N 3.39Å; C404-V575 HydrophobicContact CB-CG2 4.07Å
405N89.4Confident88.1Confident4 Ų412.7 Ų12.72%0.0216%0.063CC..Hα-helixtrans-65.3-35.5175.4-83.4-85.5000112.4Y386 G387 F388 I401 N402 Y403 L408 Q409 Y512Y386-N405 PolarHBondContact O-ND2 3.08Å; Y386-N405 VanDerWaalsContact O-ND2 3.15Å; G387-N405 PolarHBondContact O-ND2 2.78Å; F388-N405 HydrophobicContact CD2-CB 3.97Å; I401-N405 PolarHBondContact O-N 2.86Å; I401-N405 PolarHBondContact O-ND2 3.05Å; N402-N405 PolarHBondContact O-N 3.36Å; Y403-N405 VanDerWaalsContact C-N 3.34Å; Y403-N405 PolarHBondContact O-N 3.29Å; N405-L408 PolarHBondContact O-N 3.06Å; N405-Q409 VanDerWaalsContact O-CB 3.28Å; N405-Q409 WeakPolarHBondContact O-CB 3.3Å; N405-Q409 PolarHBondContact O-N 2.59Å; N405-Y512 HydrophobicContact CB-CE1 4.45Å
406E91.8Very high87.8Confident0 Ų012 Ų120%06%0.058CC..Hα-helixtrans-61.9-44.4174.4-148.370.2-143.300111.1N402 Y403 C404 Q409 Q410 N439 I442 H511 Y512N402-E406 WeakPolarHBondContact O-CB 3.35Å; N402-E406 PolarHBondContact O-N 3.21Å; Y403-E406 WeakPolarHBondContact O-CB 3.3Å; Y403-E406 PolarHBondContact O-N 2.89Å; C404-E406 VanDerWaalsContact C-N 3.34Å; E406-Q409 PolarHBondContact O-N 3.38Å; E406-Q410 WeakPolarHBondContact O-CB 3.33Å; E406-Q410 PolarHBondContact O-N 3.22Å; E406-N439 PolarHBondContact OE1-ND2 3.27Å; E406-I442 HydrophobicContact CG-CB 4.05Å; E406-I442 HydrophobicContact CG-CD1 4.41Å; E406-I442 HydrophobicContact CG-CG2 3.91Å; E406-I442 VanDerWaalsContact OE1-CD1 3.26Å; E406-I442 WeakPolarHBondContact OE1-CD1 3.3Å; E406-H511 IonicContact OE2-CG 2.83Å; E406-H511 IonicContact OE2-ND1 3.25Å; E406-H511 PolarHBondContact OE2-ND1 3.08Å; E406-Y512 WeakPolarHBondContact OE1-CD1 3.36Å; E406-Y512 PolarHBondContact OE1-N 3.13Å; E406-Y512 WeakPolarHBondContact OE2-CD1 3.5Å
407K90.9Very high87.6Confident30 Ų3012.7 Ų12.713%0.136%0.061CC..Hα-helixtrans-64.2-43175.6-67-65.4-70.2-1800112.5Y403 C404 Q409 Q410 I411 C443 E447 V575 M579Y403-K407 HydrophobicContact CD2-CG 4.2Å; Y403-K407 HydrophobicContact CE2-CD 3.97Å; Y403-K407 HydrophobicContact CE2-CG 3.69Å; Y403-K407 PolarHBondContact O-N 2.74Å; C404-K407 PolarHBondContact O-N 3.08Å; K407-Q409 VanDerWaalsContact C-N 3.33Å; K407-Q410 PolarHBondContact O-N 3.15Å; K407-I411 WeakPolarHBondContact O-CG1 3.41Å; K407-I411 PolarHBondContact O-N 3.39Å; K407-I411 VanDerWaalsContact O-N 3.15Å; K407-C443 HydrophobicContact CD-CB 3.83Å; K407-C443 VanDerWaalsContact CD-SG 3.51Å; K407-E447 IonicContact NZ-OE1 2.83Å; K407-E447 PolarHBondContact NZ-OE1 2.79Å; K407-E447 IonicContact NZ-OE2 3.5Å; K407-V575 HydrophobicContact CB-CG1 4.17Å; K407-V575 HydrophobicContact CG-CG1 3.99Å; K407-M579 HydrophobicContact CB-CE 3.97Å; K407-M579 HydrophobicContact CB-CG 4.24Å; K407-M579 HydrophobicContact CB-SD 4.1Å
408L89.8Confident87.6Confident5 Ų517.4 Ų17.43%0.0268%0.078CC..Hα-helixtrans-63.1-41.4175.6-74.3173.7000111.7L102 I385 C404 N405 F412 M579 L582L102-L408 HydrophobicContact CD1-CD1 4.39Å; L102-L408 HydrophobicContact CD2-CD1 4.43Å; L102-L408 HydrophobicContact CD2-CD2 4.05Å; I385-L408 HydrophobicContact CD1-CD1 3.71Å; I385-L408 HydrophobicContact CG2-CD1 3.75Å; C404-L408 WeakPolarHBondContact O-CG 3.27Å; C404-L408 PolarHBondContact O-N 3.39Å; N405-L408 PolarHBondContact O-N 3.06Å; L408-F412 VanDerWaalsContact O-CB 3.3Å; L408-F412 WeakPolarHBondContact O-CB 3.25Å; L408-F412 PolarHBondContact O-N 3.27Å; L408-M579 HydrophobicContact CD2-CE 3.59Å; L408-M579 HydrophobicContact CD2-SD 3.83Å; L408-M579 HydrophobicContact CG-CE 3.69Å; L408-M579 HydrophobicContact CG-SD 4.32Å; L408-L582 HydrophobicContact CD2-CD2 3.68Å
409Q87.8Confident87.4Confident4 Ų421.3 Ų21.32%0.01910%0.096CC..Hα-helixtrans-68.7-41179-170.865.19.900111.6N405 E406 K407 I411 F412 I413 Y512 R591N405-Q409 VanDerWaalsContact O-CB 3.28Å; N405-Q409 WeakPolarHBondContact O-CB 3.3Å; N405-Q409 PolarHBondContact O-N 2.59Å; E406-Q409 PolarHBondContact O-N 3.38Å; K407-Q409 VanDerWaalsContact C-N 3.33Å; Q409-I411 PolarHBondContact O-N 3.35Å; Q409-F412 WeakPolarHBondContact O-CB 3.37Å; Q409-F412 PolarHBondContact O-N 3.43Å; Q409-I413 HydrophobicContact CG-CG1 4.45Å; Q409-I413 WeakPolarHBondContact O-CG1 3.48Å; Q409-I413 PolarHBondContact O-N 3.07Å; Q409-Y512 HydrophobicContact CB-CD1 4.13Å; Q409-Y512 HydrophobicContact CB-CE1 3.93Å; Q409-Y512 HydrophobicContact CG-CD1 4.09Å; Q409-Y512 HydrophobicContact CG-CD2 4.14Å; Q409-Y512 HydrophobicContact CG-CE1 4.18Å; Q409-Y512 HydrophobicContact CG-CE2 4.23Å; Q409-Y512 HydrophobicContact CG-CG 4.07Å; Q409-R591 VanDerWaalsContact OE1-NH2 3.15Å
410Q88.9Confident86.9Confident27 Ų2721.8 Ų21.813%0.12610%0.098CC..Hα-helixtrans-53.4-54.6173.2-178.2-170.1-0.800110.9E406 K407 F412 I413 E414 N439 C443E406-Q410 WeakPolarHBondContact O-CB 3.33Å; E406-Q410 PolarHBondContact O-N 3.22Å; K407-Q410 PolarHBondContact O-N 3.15Å; Q410-F412 VanDerWaalsContact C-N 3.31Å; Q410-F412 PolarHBondContact O-N 3.01Å; Q410-I413 PolarHBondContact O-N 3.32Å; Q410-E414 WeakPolarHBondContact CG-OE1 3.21Å; Q410-E414 PolarHBondContact NE2-OE1 3.43Å; Q410-E414 WeakPolarHBondContact O-CB 3.36Å; Q410-E414 WeakPolarHBondContact O-CG 3.03Å; Q410-E414 PolarHBondContact O-N 3.05Å; Q410-N439 HydrophobicContact CB-CB 3.8Å; Q410-N439 HydrophobicContact CG-CB 4.29Å; Q410-C443 PolarHBondContact OE1-SG 3.28Å; Q410-C443 VanDerWaalsContact OE1-SG 3.42Å
411I86.4Confident86.7Confident4 Ų424.6 Ų24.62%0.02111%0.111CC..Hα-helixtrans-64.1-39.1-178.9-67.1173.5000110.9K407 Q409 E414 L415 M579 Q583K407-I411 WeakPolarHBondContact O-CG1 3.41Å; K407-I411 PolarHBondContact O-N 3.39Å; K407-I411 VanDerWaalsContact O-N 3.15Å; Q409-I411 PolarHBondContact O-N 3.35Å; I411-E414 PolarHBondContact O-N 3.1Å; I411-L415 HydrophobicContact CG2-CD1 3.55Å; I411-L415 HydrophobicContact CG2-CG 4.07Å; I411-L415 VanDerWaalsContact O-CB 3.31Å; I411-L415 WeakPolarHBondContact O-CB 3.5Å; I411-L415 VanDerWaalsContact O-CG 3.26Å; I411-L415 WeakPolarHBondContact O-CG 3.46Å; I411-L415 PolarHBondContact O-N 3.45Å; I411-M579 HydrophobicContact CD1-CB 3.68Å; I411-M579 HydrophobicContact CD1-CG 3.72Å; I411-M579 HydrophobicContact CD1-SD 3.44Å; I411-M579 WeakPolarHBondContact CD1-SD 3.49Å; I411-Q583 HydrophobicContact CD1-CG 4.04Å; I411-Q583 HydrophobicContact CG2-CG 4.13Å
412F86.8Confident86.7Confident1 Ų128.8 Ų28.80%0.00413%0.131CC..Hα-helixtrans-58-49.4176.5168.7-108.7000112.1V48 L408 Q409 Q410 T416 Y589 N621V48-F412 HydrophobicContact CG2-CE2 3.95Å; V48-F412 HydrophobicContact CG2-CZ 3.94Å; L408-F412 VanDerWaalsContact O-CB 3.3Å; L408-F412 WeakPolarHBondContact O-CB 3.25Å; L408-F412 PolarHBondContact O-N 3.27Å; Q409-F412 WeakPolarHBondContact O-CB 3.37Å; Q409-F412 PolarHBondContact O-N 3.43Å; Q410-F412 VanDerWaalsContact C-N 3.31Å; Q410-F412 PolarHBondContact O-N 3.01Å; F412-T416 VanDerWaalsContact CE2-OG1 3.31Å; F412-T416 WeakPolarHBondContact CE2-OG1 3.38Å; F412-T416 WeakPolarHBondContact O-CB 3.41Å; F412-T416 PolarHBondContact O-N 3.38Å; F412-T416 PolarHBondContact O-OG1 3.17Å; F412-Y589 HydrophobicContact CB-CE1 4.16Å; F412-Y589 AromaticContact CD2-CD1 3.82Å; F412-Y589 HydrophobicContact CD2-CD1 3.82Å; F412-Y589 AromaticContact CD2-CD2 3.72Å; F412-Y589 HydrophobicContact CD2-CD2 3.72Å; F412-Y589 AromaticContact CD2-CE1 3.5Å; F412-Y589 HydrophobicContact CD2-CE1 3.5Å; F412-Y589 VanDerWaalsContact CD2-CE1 3.5Å; F412-Y589 AromaticContact CD2-CE2 3.41Å; F412-Y589 HydrophobicContact CD2-CE2 3.41Å; F412-Y589 VanDerWaalsContact CD2-CE2 3.41Å; F412-Y589 AromaticContact CD2-CG 3.91Å; F412-Y589 HydrophobicContact CD2-CG 3.91Å; F412-Y589 AromaticContact CD2-CZ 3.29Å; F412-Y589 HydrophobicContact CE2-CD1 4.25Å; F412-Y589 AromaticContact CE2-CD2 3.57Å; F412-Y589 HydrophobicContact CE2-CD2 3.57Å; F412-Y589 HydrophobicContact CE2-CE1 4.3Å; F412-Y589 AromaticContact CE2-CE2 3.65Å; F412-Y589 HydrophobicContact CE2-CE2 3.65Å; F412-Y589 AromaticContact CE2-CG 3.89Å; F412-Y589 HydrophobicContact CE2-CG 3.89Å; F412-Y589 HydrophobicContact CG-CE1 4.19Å; F412-N621 HydrophobicContact CE1-CB 4.12Å; F412-N621 WeakPolarHBondContact CE1-ND2 3.2Å; F412-N621 VanDerWaalsContact CZ-CG 3.47Å; F412-N621 WeakPolarHBondContact CZ-ND2 3.39Å; F412-N621 WeakPolarHBondContact CZ-OD1 3.43Å
413I84.1Confident86.4Confident4 Ų429.7 Ų29.72%0.02114%0.135CC..Hα-helixtrans-67.3-45.7-179.2-64.3-62.4000110.4Q409 Q410 L415 T416 L417 Y436 V624Q409-I413 HydrophobicContact CG-CG1 4.45Å; Q409-I413 WeakPolarHBondContact O-CG1 3.48Å; Q409-I413 PolarHBondContact O-N 3.07Å; Q410-I413 PolarHBondContact O-N 3.32Å; I413-L415 PolarHBondContact O-N 2.89Å; I413-T416 PolarHBondContact O-N 3.5Å; I413-L417 WeakPolarHBondContact O-CB 3.41Å; I413-L417 PolarHBondContact O-N 2.99Å; I413-Y436 HydrophobicContact CG2-CD2 3.62Å; I413-Y436 HydrophobicContact CG2-CE2 3.69Å; I413-Y436 HydrophobicContact CG2-CG 4.29Å; I413-V624 HydrophobicContact CD1-CG2 4.27Å
414E83.7Confident86.2Confident68 Ų6830 Ų3032%0.31814%0.136SC..Hα-helixtrans-59.2-45.6178.1-75.3177.2-165.300112.4Q410 I411 R418Q410-E414 WeakPolarHBondContact CG-OE1 3.21Å; Q410-E414 PolarHBondContact NE2-OE1 3.43Å; Q410-E414 WeakPolarHBondContact O-CB 3.36Å; Q410-E414 WeakPolarHBondContact O-CG 3.03Å; Q410-E414 PolarHBondContact O-N 3.05Å; I411-E414 PolarHBondContact O-N 3.1Å; E414-R418 WeakPolarHBondContact O-CB 3.28Å; E414-R418 PolarHBondContact O-N 3.37Å
415L83.3Confident86.3Confident39 Ų3935.9 Ų35.920%0.20417%0.167CC..Hα-helixtrans-70.5-39178.9-69.2177.7000112.1I411 I413 R418 E419 P587I411-L415 HydrophobicContact CG2-CD1 3.55Å; I411-L415 HydrophobicContact CG2-CG 4.07Å; I411-L415 VanDerWaalsContact O-CB 3.31Å; I411-L415 WeakPolarHBondContact O-CB 3.5Å; I411-L415 VanDerWaalsContact O-CG 3.26Å; I411-L415 WeakPolarHBondContact O-CG 3.46Å; I411-L415 PolarHBondContact O-N 3.45Å; I413-L415 PolarHBondContact O-N 2.89Å; L415-R418 PolarHBondContact O-N 3.35Å; L415-E419 WeakPolarHBondContact O-CB 3.44Å; L415-E419 PolarHBondContact O-N 3.27Å; L415-P587 HydrophobicContact CD1-CG 3.74Å
416T82.4Confident86.3Confident4 Ų442.6 Ų42.63%0.02519%0.192CC..Hα-helixtrans-61.9-44.4175.3-68.20000111.3F412 I413 E419 E420 V624 R625F412-T416 VanDerWaalsContact CE2-OG1 3.31Å; F412-T416 WeakPolarHBondContact CE2-OG1 3.38Å; F412-T416 WeakPolarHBondContact O-CB 3.41Å; F412-T416 PolarHBondContact O-N 3.38Å; F412-T416 PolarHBondContact O-OG1 3.17Å; I413-T416 PolarHBondContact O-N 3.5Å; T416-E419 PolarHBondContact O-N 2.97Å; T416-E420 WeakPolarHBondContact O-CG 3.39Å; T416-E420 PolarHBondContact O-N 2.98Å; T416-E420 VanDerWaalsContact O-N 3.08Å; T416-V624 HydrophobicContact CG2-CG1 4.38Å; T416-R625 HydrophobicContact CG2-CG 4.27Å; T416-R625 VanDerWaalsContact CG2-CZ 3.46Å
417L82.8Confident86.4Confident20 Ų2043 Ų4311%0.10519%0.194CC..Hα-helixtrans-65.2-43.7179.1-163.575.5000111.1I413 E420 Q421 W431 I434 Y436 V624I413-L417 WeakPolarHBondContact O-CB 3.41Å; I413-L417 PolarHBondContact O-N 2.99Å; L417-E420 PolarHBondContact O-N 3.1Å; L417-Q421 WeakPolarHBondContact O-CB 3.3Å; L417-Q421 VanDerWaalsContact O-CG 3.25Å; L417-Q421 WeakPolarHBondContact O-CG 3.47Å; L417-Q421 PolarHBondContact O-N 3.08Å; L417-W431 HydrophobicContact CD1-CH2 3.62Å; L417-W431 HydrophobicContact CD1-CZ2 3.65Å; L417-W431 HydrophobicContact CG-CH2 4.11Å; L417-W431 HydrophobicContact CG-CZ2 4.01Å; L417-I434 HydrophobicContact CD1-CD1 4.11Å; L417-Y436 HydrophobicContact CD2-CE1 3.79Å; L417-V624 HydrophobicContact CD1-CG1 4.35Å
418R84.6Confident86.4Confident125 Ų12544 Ų4447%0.47221%0.213SC..Hα-helixtrans-61.1-45.5177.1-172.4-176.9-57.3160.26111.8E414 L415 E420 Q421 E422E414-R418 WeakPolarHBondContact O-CB 3.28Å; E414-R418 PolarHBondContact O-N 3.37Å; L415-R418 PolarHBondContact O-N 3.35Å; R418-E420 PolarHBondContact O-N 2.8Å; R418-Q421 PolarHBondContact O-N 2.87Å; R418-E422 WeakPolarHBondContact O-CB 3.37Å; R418-E422 WeakPolarHBondContact O-CG 3.49Å; R418-E422 PolarHBondContact O-N 2.67Å
419E81.6Confident86.5Confident96 Ų9644.6 Ų44.645%0.44922%0.215SC..Hα-helixtrans-60.3-44.3177.7-173.5-171.2-161.200111.7L415 T416 E422 E423 R625L415-E419 WeakPolarHBondContact O-CB 3.44Å; L415-E419 PolarHBondContact O-N 3.27Å; T416-E419 PolarHBondContact O-N 2.97Å; E419-E422 PolarHBondContact O-N 2.78Å; E419-E423 PolarHBondContact O-N 3.24Å; E419-E423 VanDerWaalsContact O-N 3.11Å; E419-R625 IonicContact OE2-CZ 3.02Å; E419-R625 IonicContact OE2-NH1 2.71Å; E419-R625 PolarHBondContact OE2-NH1 3.24Å; E419-R625 IonicContact OE2-NH2 2.61Å; E419-R625 PolarHBondContact OE2-NH2 2.79Å; E419-R625 VanDerWaalsContact OE2-NH2 3.1Å
420E80.2Confident86.4Confident10 Ų1052.5 Ų52.55%0.04725%0.252CS..Hα-helixtrans-66.5-41.2176.3-71.1-68.1144.800111.9T416 L417 R418 E423 Y424 W431 R625 R632T416-E420 WeakPolarHBondContact O-CG 3.39Å; T416-E420 PolarHBondContact O-N 2.98Å; T416-E420 VanDerWaalsContact O-N 3.08Å; L417-E420 PolarHBondContact O-N 3.1Å; R418-E420 PolarHBondContact O-N 2.8Å; E420-E423 PolarHBondContact O-N 3.13Å; E420-Y424 WeakPolarHBondContact O-CD1 3.4Å; E420-Y424 PolarHBondContact O-N 2.87Å; E420-W431 HydrophobicContact CB-CZ3 4.25Å; E420-R625 IonicContact OE1-CZ 3.75Å; E420-R625 IonicContact OE1-NH1 2.68Å; E420-R625 PolarHBondContact OE1-NH1 3.36Å; E420-R632 IonicContact OE1-CZ 2.65Å; E420-R632 IonicContact OE1-NH1 2.78Å; E420-R632 PolarHBondContact OE1-NH1 3.38Å; E420-R632 VanDerWaalsContact OE1-NH1 3.15Å; E420-R632 IonicContact OE1-NH2 2.77Å; E420-R632 PolarHBondContact OE1-NH2 3.17Å; E420-R632 IonicContact OE2-CZ 2.76Å; E420-R632 IonicContact OE2-NH1 2.59Å; E420-R632 PolarHBondContact OE2-NH1 2.79Å; E420-R632 IonicContact OE2-NH2 3.56Å
421Q85.1Confident86.2Confident65 Ų6554.6 Ų54.630%0.30426%0.259SS..Hα-helixtrans-59.9-47.3175-76.5173.9-900111.9L417 R418 E423 Y424 I425 W431L417-Q421 WeakPolarHBondContact O-CB 3.3Å; L417-Q421 VanDerWaalsContact O-CG 3.25Å; L417-Q421 WeakPolarHBondContact O-CG 3.47Å; L417-Q421 PolarHBondContact O-N 3.08Å; R418-Q421 PolarHBondContact O-N 2.87Å; Q421-E423 VanDerWaalsContact C-N 3.29Å; Q421-E423 PolarHBondContact O-N 3.16Å; Q421-Y424 PolarHBondContact O-N 2.71Å; Q421-I425 WeakPolarHBondContact O-CB 3.42Å; Q421-I425 WeakPolarHBondContact O-CD1 3.45Å; Q421-I425 VanDerWaalsContact O-CG1 3.24Å; Q421-I425 WeakPolarHBondContact O-CG1 3.18Å; Q421-I425 PolarHBondContact O-N 2.88Å; Q421-W431 HydrophobicContact CB-CE3 4.37Å; Q421-W431 HydrophobicContact CB-CZ3 4.36Å; Q421-W431 HydrophobicContact CG-CD2 3.65Å; Q421-W431 HydrophobicContact CG-CE3 3.58Å; Q421-W431 HydrophobicContact CG-CG 4.46Å; Q421-W431 HydrophobicContact CG-CH2 3.53Å; Q421-W431 HydrophobicContact CG-CZ2 3.59Å; Q421-W431 HydrophobicContact CG-CZ3 3.52Å
422E87.4Confident85.9Confident98 Ų9857.8 Ų57.846%0.45828%0.279SS..Hα-helixtrans-60-39.2178-75.7176.6-168.900111.9R418 E419 R426R418-E422 WeakPolarHBondContact O-CB 3.37Å; R418-E422 WeakPolarHBondContact O-CG 3.49Å; R418-E422 PolarHBondContact O-N 2.67Å; E419-E422 PolarHBondContact O-N 2.78Å; E422-R426 VanDerWaalsContact O-CB 3.24Å; E422-R426 WeakPolarHBondContact O-CB 3.32Å; E422-R426 PolarHBondContact O-N 3.06Å
423E85.3Confident85.6Confident18 Ų1864.3 Ų64.38%0.08431%0.314CS..Hα-helixtrans-67-40.3176.3-175.867.2179.800112E419 E420 Q421 R426 E427 K681E419-E423 PolarHBondContact O-N 3.24Å; E419-E423 VanDerWaalsContact O-N 3.11Å; E420-E423 PolarHBondContact O-N 3.13Å; Q421-E423 VanDerWaalsContact C-N 3.29Å; Q421-E423 PolarHBondContact O-N 3.16Å; E423-R426 WeakPolarHBondContact O-CB 3.4Å; E423-R426 PolarHBondContact O-N 3.08Å; E423-R426 IonicContact OE2-CZ 2.75Å; E423-R426 IonicContact OE2-NH1 3.42Å; E423-R426 PolarHBondContact OE2-NH1 3.45Å; E423-E427 WeakPolarHBondContact O-CB 3.48Å; E423-E427 WeakPolarHBondContact O-CG 3.37Å; E423-E427 PolarHBondContact O-N 3.27Å; E423-K681 IonicContact OE1-NZ 3.78Å; E423-K681 PolarHBondContact OE1-NZ 3.16Å
424Y88.7Confident85.3Confident7 Ų764.8 Ų64.83%0.02732%0.316CS..Hα-helixtrans-69.6-41.7-179.3-78.339.8000110.4E420 Q421 R426 E427 G428 I429 W431 G628 Y629 F683E420-Y424 WeakPolarHBondContact O-CD1 3.4Å; E420-Y424 PolarHBondContact O-N 2.87Å; Q421-Y424 PolarHBondContact O-N 2.71Å; Y424-R426 VanDerWaalsContact C-N 3.34Å; Y424-R426 PolarHBondContact O-N 3.06Å; Y424-E427 CarbonylContact O-C 3.54Å; Y424-E427 PolarHBondContact O-N 3.22Å; Y424-G428 PolarHBondContact O-N 2.76Å; Y424-I429 HydrophobicContact CD2-CB 4.22Å; Y424-I429 HydrophobicContact CD2-CG2 3.68Å; Y424-I429 HydrophobicContact CE2-CG2 4.18Å; Y424-I429 HydrophobicContact CG-CB 4.32Å; Y424-I429 HydrophobicContact CG-CG2 4.26Å; Y424-I429 PolarHBondContact O-N 2.71Å; Y424-W431 HydrophobicContact CD2-CE3 4.04Å; Y424-W431 HydrophobicContact CD2-CZ3 4.5Å; Y424-W431 HydrophobicContact CE2-CE3 4.48Å; Y424-W431 HydrophobicContact CG-CE3 4.35Å; Y424-G628 WeakPolarHBondContact OH-CA 3.3Å; Y424-Y629 AromaticContact CE2-CD2 3.67Å; Y424-Y629 HydrophobicContact CE2-CD2 3.67Å; Y424-Y629 HydrophobicContact CE2-CE2 4.11Å; Y424-Y629 AromaticContact CZ-CD2 3.85Å; Y424-Y629 PolarHBondContact OH-N 2.93Å; Y424-F683 HydrophobicContact CD1-CE1 4.25Å; Y424-F683 HydrophobicContact CE1-CE1 4.01Å
425I90.8Very high85.1Confident125 Ų12570.7 Ų70.764%0.64134%0.344SS*.Hα-helixtrans-60.3-45.2173.3-67.4165.5000110.4Q421 E427 G428Q421-I425 WeakPolarHBondContact O-CB 3.42Å; Q421-I425 WeakPolarHBondContact O-CD1 3.45Å; Q421-I425 VanDerWaalsContact O-CG1 3.24Å; Q421-I425 WeakPolarHBondContact O-CG1 3.18Å; Q421-I425 PolarHBondContact O-N 2.88Å; I425-E427 VanDerWaalsContact C-N 3.3Å; I425-E427 PolarHBondContact O-N 3.29Å; I425-G428 PolarHBondContact O-N 3.47Å
426R91.2Very high84.9Confident145 Ų14572.8 Ų72.855%0.54735%0.35SS..Hα-helixtrans-60.7-40.3178.5-173.2-175.3-59.5150.70.1111.9E422 E423 Y424 R679E422-R426 VanDerWaalsContact O-CB 3.24Å; E422-R426 WeakPolarHBondContact O-CB 3.32Å; E422-R426 PolarHBondContact O-N 3.06Å; E423-R426 WeakPolarHBondContact O-CB 3.4Å; E423-R426 PolarHBondContact O-N 3.08Å; E423-R426 IonicContact OE2-CZ 2.75Å; E423-R426 IonicContact OE2-NH1 3.42Å; E423-R426 PolarHBondContact OE2-NH1 3.45Å; Y424-R426 VanDerWaalsContact C-N 3.34Å; Y424-R426 PolarHBondContact O-N 3.06Å; R426-R679 WeakPolarHBondContact O-CD 3.47Å
427E93.1Very high84.9Confident9 Ų975.5 Ų75.54%0.04236%0.361CS..Hα-helixtrans-85.7-5.2-179.8-70.5-67.3146.300113.8E423 Y424 I425 I429 G678 R679 S680 K681 F683E423-E427 WeakPolarHBondContact O-CB 3.48Å; E423-E427 WeakPolarHBondContact O-CG 3.37Å; E423-E427 PolarHBondContact O-N 3.27Å; Y424-E427 CarbonylContact O-C 3.54Å; Y424-E427 PolarHBondContact O-N 3.22Å; I425-E427 VanDerWaalsContact C-N 3.3Å; I425-E427 PolarHBondContact O-N 3.29Å; E427-I429 VanDerWaalsContact C-N 3.35Å; E427-I429 HydrophobicContact CB-CG1 4.07Å; E427-G678 CarbonylContact O-C 3.59Å; E427-G678 VanDerWaalsContact O-CA 3.31Å; E427-G678 WeakPolarHBondContact O-CA 3.26Å; E427-R679 WeakPolarHBondContact O-CG 3.4Å; E427-R679 PolarHBondContact O-N 2.73Å; E427-R679 PolarHBondContact OE2-N 3.02Å; E427-S680 PolarHBondContact OE1-OG 3.07Å; E427-S680 PolarHBondContact OE2-N 2.97Å; E427-S680 PolarHBondContact OE2-OG 3.03Å; E427-K681 PolarHBondContact OE2-N 2.81Å; E427-K681 VanDerWaalsContact OE2-N 3.11Å; E427-F683 HydrophobicContact CB-CE2 3.73Å; E427-F683 HydrophobicContact CB-CZ 3.88Å; E427-F683 HydrophobicContact CG-CE2 3.77Å; E427-F683 HydrophobicContact CG-CZ 3.76Å
428G91.3Very high84.9Confident51 Ų5178.4 Ų78.453%0.52638%0.377SS..THydrogen-bonded Turntrans69.830-179.100000113.8Y424 I425Y424-G428 PolarHBondContact O-N 2.76Å; I425-G428 PolarHBondContact O-N 3.47Å
429I90.8Very high85.1Confident17 Ų1772.8 Ų72.89%0.08736%0.356CS..PPolyproline II helixtrans-94.9139.5177.4-61-65.4000109.4Y424 E427 Y629 F683Y424-I429 HydrophobicContact CD2-CB 4.22Å; Y424-I429 HydrophobicContact CD2-CG2 3.68Å; Y424-I429 HydrophobicContact CE2-CG2 4.18Å; Y424-I429 HydrophobicContact CG-CB 4.32Å; Y424-I429 HydrophobicContact CG-CG2 4.26Å; Y424-I429 PolarHBondContact O-N 2.71Å; E427-I429 VanDerWaalsContact C-N 3.35Å; E427-I429 HydrophobicContact CB-CG1 4.07Å; I429-Y629 HydrophobicContact CG2-CD2 4.18Å; I429-Y629 HydrophobicContact CG2-CE2 3.48Å; I429-Y629 VanDerWaalsContact CG2-CE2 3.48Å; I429-F683 HydrophobicContact CD1-CD2 4.13Å; I429-F683 HydrophobicContact CG1-CD2 3.98Å; I429-F683 HydrophobicContact CG1-CE2 3.95Å; I429-F683 HydrophobicContact CG1-CG 4.41Å; I429-F683 HydrophobicContact CG1-CZ 4.35Å
430E86.9Confident85.5Confident170 Ų17069.7 Ų69.779%0.79435%0.347SS*.PPolyproline II helixtrans-67.5132.9177.1-171.8176.9177.600111.5
431W84.3Confident86Confident70 Ų7071.6 Ų71.627%0.26536%0.359SS..PPolyproline II helixtrans-81.5120.8175.7178.6-102.6000110.5L417 E420 Q421 Y424 I434L417-W431 HydrophobicContact CD1-CH2 3.62Å; L417-W431 HydrophobicContact CD1-CZ2 3.65Å; L417-W431 HydrophobicContact CG-CH2 4.11Å; L417-W431 HydrophobicContact CG-CZ2 4.01Å; E420-W431 HydrophobicContact CB-CZ3 4.25Å; Q421-W431 HydrophobicContact CB-CE3 4.37Å; Q421-W431 HydrophobicContact CB-CZ3 4.36Å; Q421-W431 HydrophobicContact CG-CD2 3.65Å; Q421-W431 HydrophobicContact CG-CE3 3.58Å; Q421-W431 HydrophobicContact CG-CG 4.46Å; Q421-W431 HydrophobicContact CG-CH2 3.53Å; Q421-W431 HydrophobicContact CG-CZ2 3.59Å; Q421-W431 HydrophobicContact CG-CZ3 3.52Å; Y424-W431 HydrophobicContact CD2-CE3 4.04Å; Y424-W431 HydrophobicContact CD2-CZ3 4.5Å; Y424-W431 HydrophobicContact CE2-CE3 4.48Å; Y424-W431 HydrophobicContact CG-CE3 4.35Å; W431-I434 HydrophobicContact CH2-CD1 3.6Å; W431-I434 HydrophobicContact CH2-CG1 4.38Å; W431-I434 HydrophobicContact CZ2-CD1 3.91Å; W431-I434 HydrophobicContact CZ2-CG1 4.22Å; W431-I434 HydrophobicContact CZ3-CD1 4.39Å
432T80.8Confident86.4Confident71 Ų7168.5 Ų68.544%0.43635%0.345SS..PPolyproline II helixtrans-91.5133.1168.9-51.90000108.8I434T432-I434 PolarHBondContact O-N 3.05Å
433N80.6Confident86.7Confident138 Ų13863.9 Ų63.974%0.73832%0.323SS*.PPolyproline II helixtrans-64.6127.5176-165.417.3000110
434I77.2Confident87.1Confident14 Ų1466.6 Ų66.67%0.07234%0.338CS..PPolyproline II helixtrans-99.8121.3-178.2-61.5171.2000107.3L417 W431 T432 Y436 A627L417-I434 HydrophobicContact CD1-CD1 4.11Å; W431-I434 HydrophobicContact CH2-CD1 3.6Å; W431-I434 HydrophobicContact CH2-CG1 4.38Å; W431-I434 HydrophobicContact CZ2-CD1 3.91Å; W431-I434 HydrophobicContact CZ2-CG1 4.22Å; W431-I434 HydrophobicContact CZ3-CD1 4.39Å; T432-I434 PolarHBondContact O-N 3.05Å; I434-Y436 WeakPolarHBondContact O-CD1 3.25Å; I434-Y436 PolarHBondContact O-N 2.85Å; I434-A627 HydrophobicContact CB-CB 4.06Å; I434-A627 HydrophobicContact CD1-CB 3.83Å; I434-A627 HydrophobicContact CG1-CB 3.63Å; I434-A627 HydrophobicContact CG2-CB 3.38Å
435E78.9Confident87.3Confident193 Ų19366.6 Ų66.690%0.90234%0.339SS*.PPolyproline II helixtrans-73121.1168.3-67-175.9178.300109
436Y80.1Confident87.5Confident82 Ų8260.7 Ų60.732%0.32231%0.308SS..  trans-140.1160.317668.7-89.4000110.4I413 L417 I434 N438I413-Y436 HydrophobicContact CG2-CD2 3.62Å; I413-Y436 HydrophobicContact CG2-CE2 3.69Å; I413-Y436 HydrophobicContact CG2-CG 4.29Å; L417-Y436 HydrophobicContact CD2-CE1 3.79Å; I434-Y436 WeakPolarHBondContact O-CD1 3.25Å; I434-Y436 PolarHBondContact O-N 2.85Å; Y436-N438 PolarHBondContact O-N 3.06Å
437F81.4Confident87.6Confident62 Ų6255.8 Ų55.827%0.27229%0.292SS..  trans-68.6118177.7-174.1-101.5000112.2N439 I442 E620F437-N439 PolarHBondContact O-N 3.27Å; F437-N439 PolarHBondContact O-OD1 3.02Å; F437-I442 HydrophobicContact CE1-CD1 3.45Å; F437-I442 VanDerWaalsContact CE1-CD1 3.45Å; F437-I442 HydrophobicContact CZ-CD1 3.58Å; F437-E620 PolarHBondContact N-OE1 3.48Å
438N83.7Confident87.6Confident81 Ų8157.2 Ų57.243%0.43330%0.3SS..  trans-80.799.8-179.3-173.9-0.1000112.2Y436 A440Y436-N438 PolarHBondContact O-N 3.06Å; N438-A440 VanDerWaalsContact C-N 3.25Å; N438-A440 PolarHBondContact O-N 2.69Å; N438-A440 WeakPolarHBondContact OD1-CB 3.37Å; N438-A440 PolarHBondContact OD1-N 3.32Å
439N87.9Confident87.4Confident6 Ų660.9 Ų60.93%0.03231%0.307CS..THydrogen-bonded Turntrans-64.8-24.2177.5-62.898.3000114.1E406 Q410 F437 V441 I442 C443 Y512E406-N439 PolarHBondContact OE1-ND2 3.27Å; Q410-N439 HydrophobicContact CB-CB 3.8Å; Q410-N439 HydrophobicContact CG-CB 4.29Å; F437-N439 PolarHBondContact O-N 3.27Å; F437-N439 PolarHBondContact O-OD1 3.02Å; N439-V441 PolarHBondContact O-N 3.39Å; N439-I442 PolarHBondContact O-N 2.79Å; N439-I442 VanDerWaalsContact O-N 3.12Å; N439-C443 PolarHBondContact O-N 3.42Å; N439-C443 VanDerWaalsContact O-N 3.12Å; N439-C443 PolarHBondContact O-SG 2.88Å; N439-C443 VanDerWaalsContact O-SG 3.37Å; N439-Y512 WeakPolarHBondContact ND2-CB 3.47Å
440A89.2Confident87.2Confident31 Ų3167.9 Ų67.926%0.25634%0.34SS..Hα-helixtrans-60.7-31.3-174.200000112.7N438 C443 D444N438-A440 VanDerWaalsContact C-N 3.25Å; N438-A440 PolarHBondContact O-N 2.69Å; N438-A440 WeakPolarHBondContact OD1-CB 3.37Å; N438-A440 PolarHBondContact OD1-N 3.32Å; A440-C443 PolarHBondContact O-N 3.02Å; A440-D444 WeakPolarHBondContact O-CB 3.36Å; A440-D444 PolarHBondContact O-N 2.93Å
441V92.3Very high87.2Confident51 Ų5163.4 Ų63.431%0.30932%0.321SS..Hα-helixtrans-66.3-37.8179.3-178.10000111.5N439 L445 H483N439-V441 PolarHBondContact O-N 3.39Å; V441-L445 PolarHBondContact O-N 3.16Å; V441-H483 WeakPolarHBondContact CG1-NE2 3.18Å
442I93.1Very high87.6Confident0 Ų060.1 Ų60.10%031%0.309CS..Hα-helixtrans-74.3-40.3176-58.8157.5000110.5E406 F437 N439 D444 L445 I446 I509 Q510E406-I442 HydrophobicContact CG-CB 4.05Å; E406-I442 HydrophobicContact CG-CD1 4.41Å; E406-I442 HydrophobicContact CG-CG2 3.91Å; E406-I442 VanDerWaalsContact OE1-CD1 3.26Å; E406-I442 WeakPolarHBondContact OE1-CD1 3.3Å; F437-I442 HydrophobicContact CE1-CD1 3.45Å; F437-I442 VanDerWaalsContact CE1-CD1 3.45Å; F437-I442 HydrophobicContact CZ-CD1 3.58Å; N439-I442 PolarHBondContact O-N 2.79Å; N439-I442 VanDerWaalsContact O-N 3.12Å; I442-D444 VanDerWaalsContact C-N 3.28Å; I442-D444 PolarHBondContact O-N 2.66Å; I442-L445 WeakPolarHBondContact O-CB 3.48Å; I442-L445 PolarHBondContact O-N 3.11Å; I442-I446 HydrophobicContact CG2-CD1 3.95Å; I442-I446 WeakPolarHBondContact O-CG1 3.41Å; I442-I446 PolarHBondContact O-N 3.3Å; I442-I446 VanDerWaalsContact O-N 3.1Å; I442-I509 HydrophobicContact CG2-CG2 4.09Å; I442-Q510 WeakPolarHBondContact CD1-O 3.21Å
443C92.8Very high88.2Confident1 Ų156.7 Ų56.71%0.00729%0.288CS..Hα-helixtrans-57.2-45.2174.6-64.50000110.7K407 Q410 N439 A440 I446 E447K407-C443 HydrophobicContact CD-CB 3.83Å; K407-C443 VanDerWaalsContact CD-SG 3.51Å; Q410-C443 PolarHBondContact OE1-SG 3.28Å; Q410-C443 VanDerWaalsContact OE1-SG 3.42Å; N439-C443 PolarHBondContact O-N 3.42Å; N439-C443 VanDerWaalsContact O-N 3.12Å; N439-C443 PolarHBondContact O-SG 2.88Å; N439-C443 VanDerWaalsContact O-SG 3.37Å; A440-C443 PolarHBondContact O-N 3.02Å; C443-I446 PolarHBondContact O-N 2.88Å; C443-E447 WeakPolarHBondContact O-CB 3.46Å; C443-E447 VanDerWaalsContact O-CG 3.24Å; C443-E447 WeakPolarHBondContact O-CG 3.25Å; C443-E447 PolarHBondContact O-N 3.05Å
444D93.3Very high88.8Confident74 Ų7450.3 Ų50.340%0.39625%0.254SS..Hα-helixtrans-63.3-46.8176.7-169.452.8000111.7A440 I442 I446 E447 N448A440-D444 WeakPolarHBondContact O-CB 3.36Å; A440-D444 PolarHBondContact O-N 2.93Å; I442-D444 VanDerWaalsContact C-N 3.28Å; I442-D444 PolarHBondContact O-N 2.66Å; D444-I446 PolarHBondContact O-N 2.83Å; D444-I446 VanDerWaalsContact O-N 3.08Å; D444-E447 PolarHBondContact O-N 3.29Å; D444-N448 WeakPolarHBondContact O-CB 3.32Å; D444-N448 PolarHBondContact O-N 3Å; D444-N448 WeakPolarHBondContact OD1-CB 3.49Å; D444-N448 PolarHBondContact OD1-ND2 2.7Å
445L93.9Very high89.4Confident8 Ų850.5 Ų50.54%0.04226%0.258CS..Hα-helixtrans-51.7-36.3174.1174.665000112.9V441 I442 G452 I453 C480 H483 F486 I509V441-L445 PolarHBondContact O-N 3.16Å; I442-L445 WeakPolarHBondContact O-CB 3.48Å; I442-L445 PolarHBondContact O-N 3.11Å; L445-G452 VanDerWaalsContact O-CA 3.25Å; L445-G452 WeakPolarHBondContact O-CA 3.39Å; L445-I453 HydrophobicContact CG-CD1 4.17Å; L445-I453 PolarHBondContact O-N 3.12Å; L445-C480 HydrophobicContact CD1-CB 4.16Å; L445-H483 HydrophobicContact CD1-CB 4.13Å; L445-F486 HydrophobicContact CD1-CB 4.4Å; L445-F486 HydrophobicContact CD2-CB 4.15Å; L445-I509 HydrophobicContact CD2-CG2 4.4Å
446I94.6Very high90Very high0 Ų041.6 Ų41.60%022%0.216CC..Hα-helixtrans-86.3-47.4-178-65.3170.4000111.7F399 Y403 I442 C443 D444 I453 L454F399-I446 HydrophobicContact CE1-CG2 4.02Å; F399-I446 HydrophobicContact CE2-CD1 4.32Å; F399-I446 HydrophobicContact CE2-CG1 4.15Å; F399-I446 HydrophobicContact CZ-CB 4.35Å; F399-I446 HydrophobicContact CZ-CD1 4.46Å; F399-I446 HydrophobicContact CZ-CG1 4.01Å; F399-I446 HydrophobicContact CZ-CG2 3.65Å; Y403-I446 HydrophobicContact CD2-CB 3.97Å; Y403-I446 HydrophobicContact CD2-CD1 4.17Å; Y403-I446 HydrophobicContact CD2-CG2 3.46Å; Y403-I446 VanDerWaalsContact CD2-CG2 3.46Å; Y403-I446 HydrophobicContact CE2-CB 4.46Å; Y403-I446 HydrophobicContact CE2-CG2 4.02Å; Y403-I446 HydrophobicContact CG-CG2 3.75Å; I442-I446 HydrophobicContact CG2-CD1 3.95Å; I442-I446 WeakPolarHBondContact O-CG1 3.41Å; I442-I446 PolarHBondContact O-N 3.3Å; I442-I446 VanDerWaalsContact O-N 3.1Å; C443-I446 PolarHBondContact O-N 2.88Å; D444-I446 PolarHBondContact O-N 2.83Å; D444-I446 VanDerWaalsContact O-N 3.08Å; I446-I453 PolarHBondContact O-N 3.1Å; I446-L454 HydrophobicContact CG2-CD1 3.98Å; I446-L454 HydrophobicContact CG2-CG 4.07Å; I446-L454 PolarHBondContact O-N 3.16Å; I446-L454 VanDerWaalsContact O-N 3.11Å
447E93.2Very high90.5Very high43 Ų4337.7 Ų37.720%0.20120%0.201CC..Hα-helixtrans-103.3-4.4-164.691.2-171.615900114.5Y403 K407 C443 D444 N449 K572Y403-E447 HydrophobicContact CE2-CB 3.79Å; Y403-E447 PolarHBondContact OH-OE2 3.24Å; K407-E447 IonicContact NZ-OE1 2.83Å; K407-E447 PolarHBondContact NZ-OE1 2.79Å; K407-E447 IonicContact NZ-OE2 3.5Å; C443-E447 WeakPolarHBondContact O-CB 3.46Å; C443-E447 VanDerWaalsContact O-CG 3.24Å; C443-E447 WeakPolarHBondContact O-CG 3.25Å; C443-E447 PolarHBondContact O-N 3.05Å; D444-E447 PolarHBondContact O-N 3.29Å; E447-N449 PolarHBondContact O-N 3.23Å; E447-K572 VanDerWaalsContact O-CE 3.29Å; E447-K572 WeakPolarHBondContact O-CE 3.49Å; E447-K572 PolarHBondContact O-NZ 3.4Å
448N93.1Very high90.8Very high39 Ų3935.8 Ų35.821%0.20919%0.193CC..  trans-59.1133.6179.5-167.7-52.7000111D444 Q450 N451 G452 A455D444-N448 WeakPolarHBondContact O-CB 3.32Å; D444-N448 PolarHBondContact O-N 3Å; D444-N448 WeakPolarHBondContact OD1-CB 3.49Å; D444-N448 PolarHBondContact OD1-ND2 2.7Å; N448-Q450 PolarHBondContact O-N 3.15Å; N448-Q450 PolarHBondContact OD1-N 2.65Å; N448-N451 WeakPolarHBondContact CB-OD1 3.48Å; N448-N451 PolarHBondContact ND2-OD1 2.73Å; N448-N451 PolarHBondContact OD1-OD1 3.42Å; N448-G452 VanDerWaalsContact O-CA 3.24Å; N448-G452 WeakPolarHBondContact O-CA 3.43Å; N448-G452 PolarHBondContact O-N 3.15Å; N448-A455 WeakPolarHBondContact O-CB 3.38Å
449N88.2Confident90.9Very high127 Ų12736.5 Ų36.568%0.67919%0.194SC*.THydrogen-bonded Turntrans-70.5-19.2-176.4-70.1-40.5000113.3E447 A455 K572E447-N449 PolarHBondContact O-N 3.23Å; N449-A455 WeakPolarHBondContact O-CB 3.49Å; N449-K572 PolarHBondContact OD1-NZ 2.76Å
450Q85.6Confident90.8Very high165 Ų16536.2 Ų36.277%0.77119%0.193SC*.THydrogen-bonded Turntrans-104.9-42.3-174.4-65.6-177.7-8.500112.9N448 M456N448-Q450 PolarHBondContact O-N 3.15Å; N448-Q450 PolarHBondContact OD1-N 2.65Å; Q450-M456 WeakPolarHBondContact O-CE 3.28Å
451N87.6Confident90.4Very high76 Ų7635.6 Ų35.641%0.40619%0.186SC..THydrogen-bonded Turntrans-131.310.5-174.563.3-8.5000113.2N448 I479N448-N451 WeakPolarHBondContact CB-OD1 3.48Å; N448-N451 PolarHBondContact ND2-OD1 2.73Å; N448-N451 PolarHBondContact OD1-OD1 3.42Å; N451-I479 HydrophobicContact CB-CG2 3.83Å
452G92.4Very high89.6Confident0 Ų037.2 Ų37.20%019%0.193CC..SBendtrans-79.4151.2179.300000112.4L445 N448 L454 A455 M456L445-G452 VanDerWaalsContact O-CA 3.25Å; L445-G452 WeakPolarHBondContact O-CA 3.39Å; N448-G452 VanDerWaalsContact O-CA 3.24Å; N448-G452 WeakPolarHBondContact O-CA 3.43Å; N448-G452 PolarHBondContact O-N 3.15Å; G452-L454 VanDerWaalsContact C-N 3.28Å; G452-L454 PolarHBondContact O-N 3.49Å; G452-A455 PolarHBondContact O-N 2.86Å; G452-M456 WeakPolarHBondContact O-CG 3.27Å; G452-M456 PolarHBondContact O-N 2.77Å
453I94.1Very high88.9Confident0 Ų043.6 Ų43.60%022%0.217CC..Hα-helixtrans-56-41.6-177.6-63171.2000111.8F399 L445 I446 M456 L457 F472 L476 F486 F507 I509F399-I453 HydrophobicContact CE1-CG2 4.2Å; F399-I453 HydrophobicContact CE2-CD1 4.11Å; F399-I453 HydrophobicContact CE2-CG2 4.18Å; F399-I453 HydrophobicContact CZ-CB 3.92Å; F399-I453 HydrophobicContact CZ-CD1 4.2Å; F399-I453 HydrophobicContact CZ-CG2 3.58Å; L445-I453 HydrophobicContact CG-CD1 4.17Å; L445-I453 PolarHBondContact O-N 3.12Å; I446-I453 PolarHBondContact O-N 3.1Å; I453-M456 PolarHBondContact O-N 3.41Å; I453-L457 WeakPolarHBondContact O-CB 3.3Å; I453-L457 PolarHBondContact O-N 3.12Å; I453-F472 HydrophobicContact CG2-CZ 4.1Å; I453-L476 HydrophobicContact CB-CD2 4.35Å; I453-L476 HydrophobicContact CG1-CD2 4.11Å; I453-L476 HydrophobicContact CG2-CD1 4.32Å; I453-L476 HydrophobicContact CG2-CD2 4.18Å; I453-F486 HydrophobicContact CD1-CD2 4.48Å; I453-F507 HydrophobicContact CD1-CE2 4.49Å; I453-I509 HydrophobicContact CD1-CD1 3.6Å
454L92.4Very high87.6Confident3 Ų349.6 Ų49.62%0.01626%0.255CS..Hα-helixtrans-65.9-39.7178.3-72.1175.4000112.4F396 F399 I400 Y403 I446 G452 M456 L457 D458 K572F396-L454 HydrophobicContact CE2-CD2 4.47Å; F399-L454 HydrophobicContact CD1-CD2 4.49Å; F399-L454 HydrophobicContact CE1-CD2 3.78Å; F399-L454 HydrophobicContact CE1-CG 4.11Å; I400-L454 HydrophobicContact CD1-CD2 3.92Å; Y403-L454 HydrophobicContact CE1-CD1 4.39Å; I446-L454 HydrophobicContact CG2-CD1 3.98Å; I446-L454 HydrophobicContact CG2-CG 4.07Å; I446-L454 PolarHBondContact O-N 3.16Å; I446-L454 VanDerWaalsContact O-N 3.11Å; G452-L454 VanDerWaalsContact C-N 3.28Å; G452-L454 PolarHBondContact O-N 3.49Å; L454-M456 VanDerWaalsContact C-N 3.35Å; L454-L457 PolarHBondContact O-N 2.73Å; L454-D458 WeakPolarHBondContact O-CB 3.34Å; L454-D458 VanDerWaalsContact O-CG 3.22Å; L454-D458 PolarHBondContact O-N 3.34Å; L454-K572 HydrophobicContact CD1-CB 4.31Å
455A90.3Very high86.5Confident19 Ų1949.1 Ų49.116%0.15727%0.269CS..Hα-helixtrans-66.2-40177.400000111.3N448 N449 G452 D458 E459N448-A455 WeakPolarHBondContact O-CB 3.38Å; N449-A455 WeakPolarHBondContact O-CB 3.49Å; G452-A455 PolarHBondContact O-N 2.86Å; A455-D458 PolarHBondContact O-N 3.21Å; A455-E459 WeakPolarHBondContact O-CB 3.17Å; A455-E459 PolarHBondContact O-N 3.13Å
456M91.3Very high85.5Confident6 Ų655.2 Ų55.23%0.0331%0.306CS..Hα-helixtrans-65.5-39.9176.2-64.4-55.697.700112.1Q450 G452 I453 L454 E459 E460 F472 K475 L476 I479Q450-M456 WeakPolarHBondContact O-CE 3.28Å; G452-M456 WeakPolarHBondContact O-CG 3.27Å; G452-M456 PolarHBondContact O-N 2.77Å; I453-M456 PolarHBondContact O-N 3.41Å; L454-M456 VanDerWaalsContact C-N 3.35Å; M456-E459 PolarHBondContact O-N 3.47Å; M456-E460 PolarHBondContact O-N 3.41Å; M456-F472 HydrophobicContact CB-CE2 4.42Å; M456-K475 HydrophobicContact SD-CD 4.29Å; M456-K475 HydrophobicContact SD-CG 4.38Å; M456-L476 HydrophobicContact CB-CD2 4.04Å; M456-L476 HydrophobicContact CG-CD2 4.36Å; M456-I479 HydrophobicContact CG-CD1 4.37Å; M456-I479 HydrophobicContact SD-CD1 3.26Å; M456-I479 WeakPolarHBondContact SD-CD1 3.5Å; M456-I479 HydrophobicContact SD-CG2 4.43Å
457L90.6Very high84.8Confident0 Ų057.1 Ų57.10%032%0.318CS..Hα-helixtrans-64.8-42.3175.8-174.861.3000111.5F396 I453 L454 E460 C461 F472 F523 V524 N527F396-L457 HydrophobicContact CD2-CD2 3.93Å; F396-L457 HydrophobicContact CE2-CD2 3.56Å; I453-L457 WeakPolarHBondContact O-CB 3.3Å; I453-L457 PolarHBondContact O-N 3.12Å; L454-L457 PolarHBondContact O-N 2.73Å; L457-E460 PolarHBondContact O-N 3.32Å; L457-C461 PolarHBondContact O-N 2.69Å; L457-C461 PolarHBondContact O-SG 2.95Å; L457-F472 HydrophobicContact CB-CD2 4.31Å; L457-F472 HydrophobicContact CB-CE2 3.61Å; L457-F472 HydrophobicContact CB-CZ 3.97Å; L457-F472 HydrophobicContact CD1-CD1 4.15Å; L457-F472 HydrophobicContact CD1-CD2 3.9Å; L457-F472 HydrophobicContact CD1-CE1 4.02Å; L457-F472 HydrophobicContact CD1-CE2 3.78Å; L457-F472 HydrophobicContact CD1-CG 4.07Å; L457-F472 HydrophobicContact CD1-CZ 3.82Å; L457-F472 HydrophobicContact CG-CE2 4.26Å; L457-F472 HydrophobicContact CG-CZ 4.34Å; L457-F523 HydrophobicContact CD1-CB 4.1Å; L457-F523 HydrophobicContact CD2-CD1 4.16Å; L457-V524 HydrophobicContact CD1-CG2 4.24Å; L457-N527 HydrophobicContact CD1-CB 4.39Å; L457-N527 HydrophobicContact CD2-CB 3.78Å; L457-N527 HydrophobicContact CG-CB 3.9Å
458D86.9Confident84.4Confident22 Ų2257.8 Ų57.812%0.11833%0.325CS..Hα-helixtrans-63.3-42.6175.8-72.8-15.8000111.7L454 A455 C461 L462 N527 T566L454-D458 WeakPolarHBondContact O-CB 3.34Å; L454-D458 VanDerWaalsContact O-CG 3.22Å; L454-D458 PolarHBondContact O-N 3.34Å; A455-D458 PolarHBondContact O-N 3.21Å; D458-C461 PolarHBondContact O-N 2.81Å; D458-L462 WeakPolarHBondContact O-CB 3.04Å; D458-L462 WeakPolarHBondContact O-CD1 3.4Å; D458-L462 WeakPolarHBondContact O-CG 3.46Å; D458-L462 PolarHBondContact O-N 2.94Å; D458-L462 VanDerWaalsContact O-N 3.08Å; D458-N527 PolarHBondContact OD1-ND2 2.76Å; D458-T566 HydrophobicContact CB-CG2 4.46Å; D458-T566 WeakPolarHBondContact OD1-CB 3.07Å; D458-T566 PolarHBondContact OD1-OG1 3.22Å; D458-T566 PolarHBondContact OD2-OG1 2.93Å
459E86.1Confident84.2Confident95 Ų9557.3 Ų57.344%0.44432%0.322SS..Hα-helixtrans-64.8-42.4178.4-162.7-165.4136.300112.1A455 M456 L462 R463 K475A455-E459 WeakPolarHBondContact O-CB 3.17Å; A455-E459 PolarHBondContact O-N 3.13Å; M456-E459 PolarHBondContact O-N 3.47Å; E459-L462 PolarHBondContact O-N 3.16Å; E459-R463 PolarHBondContact O-N 3.44Å; E459-K475 IonicContact OE1-NZ 3.35Å; E459-K475 PolarHBondContact OE1-NZ 3.19Å; E459-K475 IonicContact OE2-NZ 2.79Å; E459-K475 PolarHBondContact OE2-NZ 3.44Å; E459-K475 VanDerWaalsContact OE2-NZ 3.1Å
460E85.5Confident84.2Confident1 Ų156.3 Ų56.31%0.00531%0.314CS..Hα-helixtrans-64.1-41.5175.1-75.1-54.6120.400111.9M456 L457 L462 R463 V467 F472 K475M456-E460 PolarHBondContact O-N 3.41Å; L457-E460 PolarHBondContact O-N 3.32Å; E460-L462 PolarHBondContact O-N 2.78Å; E460-R463 PolarHBondContact O-N 3.44Å; E460-R463 IonicContact OE1-CZ 3.6Å; E460-R463 IonicContact OE1-NH1 3.52Å; E460-R463 PolarHBondContact OE1-NH1 3.29Å; E460-R463 IonicContact OE2-NH1 2.65Å; E460-R463 PolarHBondContact OE2-NH1 3.08Å; E460-V467 HydrophobicContact CB-CG1 4.13Å; E460-V467 WeakPolarHBondContact O-CG1 3.46Å; E460-V467 WeakPolarHBondContact O-CG2 3.27Å; E460-F472 HydrophobicContact CG-CB 4.36Å; E460-F472 HydrophobicContact CG-CD2 4.38Å; E460-K475 HydrophobicContact CG-CD 3.81Å; E460-K475 WeakPolarHBondContact OE1-CD 3.21Å; E460-K475 IonicContact OE1-NZ 3.03Å; E460-K475 PolarHBondContact OE1-NZ 3.14Å
461C80.8Confident84.4Confident18 Ų1850.9 Ų50.912%0.12229%0.292CS..Hα-helixtrans-64.1-27.2176.3-65.40000113L457 D458 N527 T566L457-C461 PolarHBondContact O-N 2.69Å; L457-C461 PolarHBondContact O-SG 2.95Å; D458-C461 PolarHBondContact O-N 2.81Å; C461-N527 PolarHBondContact SG-ND2 3.42Å; C461-N527 VanDerWaalsContact SG-ND2 3.37Å; C461-T566 HydrophobicContact CB-CG2 4.47Å
462L76.3Confident84.5Confident85 Ų8547.3 Ų47.345%0.44527%0.272SS..Hα-helixtrans-93-9.6-178-68.4168.9000113.5D458 E459 E460D458-L462 WeakPolarHBondContact O-CB 3.04Å; D458-L462 WeakPolarHBondContact O-CD1 3.4Å; D458-L462 WeakPolarHBondContact O-CG 3.46Å; D458-L462 PolarHBondContact O-N 2.94Å; D458-L462 VanDerWaalsContact O-N 3.08Å; E459-L462 PolarHBondContact O-N 3.16Å; E460-L462 PolarHBondContact O-N 2.78Å
463R78.2Confident84.5Confident133 Ų13347.6 Ų47.650%0.50227%0.274SS..SBendtrans-71.1132.1-177.8178.7-179.9-109.2167-7.7111.1E459 E460 G465 V467E459-R463 PolarHBondContact O-N 3.44Å; E460-R463 PolarHBondContact O-N 3.44Å; E460-R463 IonicContact OE1-CZ 3.6Å; E460-R463 IonicContact OE1-NH1 3.52Å; E460-R463 PolarHBondContact OE1-NH1 3.29Å; E460-R463 IonicContact OE2-NH1 2.65Å; E460-R463 PolarHBondContact OE2-NH1 3.08Å; R463-G465 PolarHBondContact O-N 3.16Å; R463-V467 HydrophobicContact CB-CG2 4.42Å
464P65.3Low84.2Confident127 Ų12751.6 Ų51.683%0.82530%0.296SS*.SBendtrans-72.8123.5170.228.6-31.2000110.3
465G69.9Low84Confident65 Ų6552.8 Ų52.867%0.6730%0.3SS*.SBendtrans142.5-174.2179.100000112.7R463 V467R463-G465 PolarHBondContact O-N 3.16Å; G465-V467 PolarHBondContact O-N 3.49Å
466T73.8Confident84.1Confident135 Ų13551.9 Ų51.983%0.82829%0.293SS*.  trans-76.8110.5171.2-49.30000108.7T468T466-T468 HydrophobicContact CG2-CG2 4.48Å
467V78.4Confident83.9Confident40 Ų4052.1 Ų52.124%0.24230%0.295CS..  trans-106.6132.4179.1-176.20000108.1E460 R463 G465 V524E460-V467 HydrophobicContact CB-CG1 4.13Å; E460-V467 WeakPolarHBondContact O-CG1 3.46Å; E460-V467 WeakPolarHBondContact O-CG2 3.27Å; R463-V467 HydrophobicContact CB-CG2 4.42Å; G465-V467 PolarHBondContact O-N 3.49Å; V467-V524 HydrophobicContact CG1-CG1 3.94Å; V467-V524 HydrophobicContact CG1-CG2 4.25Å
468T85.2Confident83.7Confident58 Ų5857 Ų5736%0.35632%0.324SS..  trans-131.8164.4177.563.10000110.2T466 E470 T471 F472T466-T468 HydrophobicContact CG2-CG2 4.48Å; T468-E470 PolarHBondContact O-N 2.65Å; T468-T471 PolarHBondContact N-OG1 2.68Å; T468-T471 PolarHBondContact O-N 3.3Å; T468-T471 PolarHBondContact O-OG1 3.39Å; T468-T471 PolarHBondContact OG1-N 3.11Å; T468-T471 PolarHBondContact OG1-OG1 2.76Å; T468-F472 PolarHBondContact O-N 2.88Å
469D88.7Confident83.7Confident29 Ų2959.2 Ų59.216%0.15534%0.335CS..Hα-helixtrans-64.5-25.7175.4-60.8-51.1000112.3F472 L473 V520 E521 G522 F523 V524D469-F472 PolarHBondContact O-N 2.81Å; D469-L473 PolarHBondContact O-N 3.43Å; D469-V520 HydrophobicContact CB-CB 4.23Å; D469-V520 HydrophobicContact CB-CG2 3.92Å; D469-V520 WeakPolarHBondContact CB-O 3.33Å; D469-E521 WeakPolarHBondContact OD2-CA 3.42Å; D469-G522 PolarHBondContact OD2-N 3.01Å; D469-F523 PolarHBondContact OD1-N 3.17Å; D469-V524 WeakPolarHBondContact OD1-CB 3.38Å; D469-V524 WeakPolarHBondContact OD1-CG2 3.33Å; D469-V524 PolarHBondContact OD1-N 3.43Å
470E88.8Confident83.7Confident106 Ų10654.9 Ų54.950%0.49532%0.316SS..Hα-helixtrans-69-44.6175.6-63.7-175.4165.800111.4T468 F472 L473 D474 N505T468-E470 PolarHBondContact O-N 2.65Å; E470-F472 PolarHBondContact O-N 3.01Å; E470-L473 PolarHBondContact O-N 3.27Å; E470-L473 VanDerWaalsContact O-N 3.09Å; E470-D474 PolarHBondContact O-N 2.55Å; E470-N505 PolarHBondContact OE1-ND2 3.16Å
471T89.4Confident83.5Confident51 Ų5155 Ų5531%0.31332%0.316SS..Hα-helixtrans-63.4-32.8175.954.20000111.9T468 K475T468-T471 PolarHBondContact N-OG1 2.68Å; T468-T471 PolarHBondContact O-N 3.3Å; T468-T471 PolarHBondContact O-OG1 3.39Å; T468-T471 PolarHBondContact OG1-N 3.11Å; T468-T471 PolarHBondContact OG1-OG1 2.76Å; T471-K475 PolarHBondContact O-N 3.16Å
472F91.1Very high83.6Confident0 Ų060.4 Ų60.40%034%0.344CS..Hα-helixtrans-65.5-46.5171.2166.9-115.8000112I453 M456 L457 E460 T468 D469 E470 D474 K475 L476 F523 V524I453-F472 HydrophobicContact CG2-CZ 4.1Å; M456-F472 HydrophobicContact CB-CE2 4.42Å; L457-F472 HydrophobicContact CB-CD2 4.31Å; L457-F472 HydrophobicContact CB-CE2 3.61Å; L457-F472 HydrophobicContact CB-CZ 3.97Å; L457-F472 HydrophobicContact CD1-CD1 4.15Å; L457-F472 HydrophobicContact CD1-CD2 3.9Å; L457-F472 HydrophobicContact CD1-CE1 4.02Å; L457-F472 HydrophobicContact CD1-CE2 3.78Å; L457-F472 HydrophobicContact CD1-CG 4.07Å; L457-F472 HydrophobicContact CD1-CZ 3.82Å; L457-F472 HydrophobicContact CG-CE2 4.26Å; L457-F472 HydrophobicContact CG-CZ 4.34Å; E460-F472 HydrophobicContact CG-CB 4.36Å; E460-F472 HydrophobicContact CG-CD2 4.38Å; T468-F472 PolarHBondContact O-N 2.88Å; D469-F472 PolarHBondContact O-N 2.81Å; E470-F472 PolarHBondContact O-N 3.01Å; F472-D474 PolarHBondContact O-N 3.46Å; F472-K475 WeakPolarHBondContact O-CB 3.4Å; F472-K475 PolarHBondContact O-N 3.42Å; F472-L476 HydrophobicContact CD1-CD1 4.49Å; F472-L476 HydrophobicContact CD2-CG 4.36Å; F472-L476 HydrophobicContact CE1-CD1 3.81Å; F472-L476 HydrophobicContact CE1-CG 4.48Å; F472-L476 HydrophobicContact CE2-CD1 4Å; F472-L476 HydrophobicContact CE2-CD2 3.9Å; F472-L476 HydrophobicContact CE2-CG 3.88Å; F472-L476 HydrophobicContact CZ-CD1 3.53Å; F472-L476 HydrophobicContact CZ-CD2 4.18Å; F472-L476 HydrophobicContact CZ-CG 3.97Å; F472-L476 PolarHBondContact O-N 3.4Å; F472-F523 HydrophobicContact CD1-CB 4.26Å; F472-F523 HydrophobicContact CE1-CB 4.1Å; F472-F523 AromaticContact CE1-CD1 3.79Å; F472-F523 HydrophobicContact CE1-CD1 3.79Å; F472-F523 HydrophobicContact CE1-CG 4.16Å; F472-F523 HydrophobicContact CZ-CD1 4.28Å; F472-V524 HydrophobicContact CB-CG2 4.16Å
473L90.7Very high84Confident7 Ų758.6 Ų58.64%0.03733%0.333CS..Hα-helixtrans-62.2-42177.5-177.254.7000112.4D469 E470 K475 L476 N477 F507 V520D469-L473 PolarHBondContact O-N 3.43Å; E470-L473 PolarHBondContact O-N 3.27Å; E470-L473 VanDerWaalsContact O-N 3.09Å; L473-K475 VanDerWaalsContact C-N 3.26Å; L473-K475 PolarHBondContact O-N 2.95Å; L473-L476 WeakPolarHBondContact O-CB 3.21Å; L473-L476 PolarHBondContact O-N 3.06Å; L473-L476 VanDerWaalsContact O-N 3.15Å; L473-N477 PolarHBondContact O-N 3.44Å; L473-N477 PolarHBondContact O-ND2 3.42Å; L473-F507 HydrophobicContact CD1-CB 4.17Å; L473-F507 HydrophobicContact CD1-CD1 4.35Å; L473-V520 HydrophobicContact CB-CG1 4.05Å; L473-V520 HydrophobicContact CB-CG2 4.33Å; L473-V520 HydrophobicContact CD1-CG1 3.95Å; L473-V520 HydrophobicContact CD2-CG1 4.14Å; L473-V520 HydrophobicContact CD2-CG2 4.24Å; L473-V520 HydrophobicContact CG-CG1 4.26Å
474D88.3Confident84.4Confident84 Ų8460.2 Ų60.245%0.44935%0.347SS..Hα-helixtrans-61.5-36.8177.2-74.6-20.2000112.1E470 F472 N477 T478E470-D474 PolarHBondContact O-N 2.55Å; F472-D474 PolarHBondContact O-N 3.46Å; D474-N477 PolarHBondContact O-N 2.93Å; D474-T478 PolarHBondContact O-N 3.06Å; D474-T478 PolarHBondContact O-OG1 2.89Å
475K89.4Confident85.6Confident27 Ų2755.5 Ų55.512%0.11731%0.314CS..Hα-helixtrans-65.7-43.9173.3-170.3170.4-167.3174.50112M456 E459 E460 T471 F472 L473 N477 T478 I479M456-K475 HydrophobicContact SD-CD 4.29Å; M456-K475 HydrophobicContact SD-CG 4.38Å; E459-K475 IonicContact OE1-NZ 3.35Å; E459-K475 PolarHBondContact OE1-NZ 3.19Å; E459-K475 IonicContact OE2-NZ 2.79Å; E459-K475 PolarHBondContact OE2-NZ 3.44Å; E459-K475 VanDerWaalsContact OE2-NZ 3.1Å; E460-K475 HydrophobicContact CG-CD 3.81Å; E460-K475 WeakPolarHBondContact OE1-CD 3.21Å; E460-K475 IonicContact OE1-NZ 3.03Å; E460-K475 PolarHBondContact OE1-NZ 3.14Å; T471-K475 PolarHBondContact O-N 3.16Å; F472-K475 WeakPolarHBondContact O-CB 3.4Å; F472-K475 PolarHBondContact O-N 3.42Å; L473-K475 VanDerWaalsContact C-N 3.26Å; L473-K475 PolarHBondContact O-N 2.95Å; K475-N477 VanDerWaalsContact C-N 3.32Å; K475-N477 PolarHBondContact O-N 3.21Å; K475-T478 PolarHBondContact O-N 3.26Å; K475-T478 VanDerWaalsContact O-N 3.08Å; K475-I479 HydrophobicContact CG-CD1 3.8Å; K475-I479 PolarHBondContact O-N 3.45Å
476L90.5Very high86.5Confident0 Ų052.6 Ų52.60%028%0.283CS..Hα-helixtrans-60.5-41.9173.3-65.7-175.1000111.7I453 M456 F472 L473 T478 I479 C480 F486 F507I453-L476 HydrophobicContact CB-CD2 4.35Å; I453-L476 HydrophobicContact CG1-CD2 4.11Å; I453-L476 HydrophobicContact CG2-CD1 4.32Å; I453-L476 HydrophobicContact CG2-CD2 4.18Å; M456-L476 HydrophobicContact CB-CD2 4.04Å; M456-L476 HydrophobicContact CG-CD2 4.36Å; F472-L476 HydrophobicContact CD1-CD1 4.49Å; F472-L476 HydrophobicContact CD2-CG 4.36Å; F472-L476 HydrophobicContact CE1-CD1 3.81Å; F472-L476 HydrophobicContact CE1-CG 4.48Å; F472-L476 HydrophobicContact CE2-CD1 4Å; F472-L476 HydrophobicContact CE2-CD2 3.9Å; F472-L476 HydrophobicContact CE2-CG 3.88Å; F472-L476 HydrophobicContact CZ-CD1 3.53Å; F472-L476 HydrophobicContact CZ-CD2 4.18Å; F472-L476 HydrophobicContact CZ-CG 3.97Å; F472-L476 PolarHBondContact O-N 3.4Å; L473-L476 WeakPolarHBondContact O-CB 3.21Å; L473-L476 PolarHBondContact O-N 3.06Å; L473-L476 VanDerWaalsContact O-N 3.15Å; L476-T478 PolarHBondContact O-N 2.94Å; L476-I479 PolarHBondContact O-N 3.3Å; L476-C480 WeakPolarHBondContact O-CA 3.33Å; L476-C480 WeakPolarHBondContact O-CB 3.14Å; L476-C480 PolarHBondContact O-N 3.45Å; L476-F486 HydrophobicContact CB-CE2 4.42Å; L476-F486 HydrophobicContact CB-CZ 3.87Å; L476-F486 HydrophobicContact CD1-CE2 4.43Å; L476-F507 HydrophobicContact CD1-CD1 4.09Å; L476-F507 HydrophobicContact CD1-CE1 4.21Å; L476-F507 HydrophobicContact CD1-CG 4.5Å
477N87.3Confident87.2Confident12 Ų1246.9 Ų46.96%0.06425%0.246CC..Hα-helixtrans-64-21.6175.9-66.9-29.7000113L473 D474 K475 A481 S488L473-N477 PolarHBondContact O-N 3.44Å; L473-N477 PolarHBondContact O-ND2 3.42Å; D474-N477 PolarHBondContact O-N 2.93Å; K475-N477 VanDerWaalsContact C-N 3.32Å; K475-N477 PolarHBondContact O-N 3.21Å; N477-A481 WeakPolarHBondContact O-CB 3.14Å; N477-S488 WeakPolarHBondContact OD1-CB 3.38Å; N477-S488 PolarHBondContact OD1-OG 3.43Å
478T86.7Confident87.5Confident101 Ų10145 Ų4562%0.6224%0.236SC*.Hα-helixtrans-87.7-41.7177.6-560000111.6D474 K475 L476D474-T478 PolarHBondContact O-N 3.06Å; D474-T478 PolarHBondContact O-OG1 2.89Å; K475-T478 PolarHBondContact O-N 3.26Å; K475-T478 VanDerWaalsContact O-N 3.08Å; L476-T478 PolarHBondContact O-N 2.94Å
479I87.4Confident87.1Confident69 Ų6945.4 Ų45.435%0.35423%0.23SC..Hα-helixtrans-96.8-40.4-168.8-64.1173.1000112.3N451 M456 K475 L476N451-I479 HydrophobicContact CB-CG2 3.83Å; M456-I479 HydrophobicContact CG-CD1 4.37Å; M456-I479 HydrophobicContact SD-CD1 3.26Å; M456-I479 WeakPolarHBondContact SD-CD1 3.5Å; M456-I479 HydrophobicContact SD-CG2 4.43Å; K475-I479 HydrophobicContact CG-CD1 3.8Å; K475-I479 PolarHBondContact O-N 3.45Å; L476-I479 PolarHBondContact O-N 3.3Å
480C85.6Confident86.3Confident5 Ų549.2 Ų49.23%0.03425%0.25CC..SBendtrans-96.8-3-175-560000113.4L445 L476 D482 H483 F486L445-C480 HydrophobicContact CD1-CB 4.16Å; L476-C480 WeakPolarHBondContact O-CA 3.33Å; L476-C480 WeakPolarHBondContact O-CB 3.14Å; L476-C480 PolarHBondContact O-N 3.45Å; C480-D482 VanDerWaalsContact C-N 3.31Å; C480-D482 PolarHBondContact O-N 3.03Å; C480-H483 VanDerWaalsContact O-CB 3.29Å; C480-H483 WeakPolarHBondContact O-CB 3.45Å; C480-H483 PolarHBondContact O-N 2.92Å; C480-H483 VanDerWaalsContact O-N 3.11Å; C480-F486 HydrophobicContact CB-CD1 3.92Å; C480-F486 HydrophobicContact CB-CD2 4.18Å; C480-F486 HydrophobicContact CB-CE1 4.14Å; C480-F486 HydrophobicContact CB-CE2 4.38Å; C480-F486 HydrophobicContact CB-CG 3.94Å; C480-F486 HydrophobicContact CB-CZ 4.37Å; C480-F486 WeakPolarHBondContact O-CD1 3.47Å
481A80.8Confident85.2Confident2 Ų244.6 Ų44.62%0.01723%0.229CC..THydrogen-bonded Turntrans-61.6-32.4-172.500000115.3N477 H483 S491N477-A481 WeakPolarHBondContact O-CB 3.14Å; A481-H483 PolarHBondContact O-N 3.01Å; A481-S491 VanDerWaalsContact CB-OG 3.25Å; A481-S491 WeakPolarHBondContact CB-OG 3.47Å; A481-S491 PolarHBondContact O-OG 3.48Å
482D82.8Confident83.5Confident133 Ų13350.5 Ų50.571%0.71125%0.251SS*.THydrogen-bonded Turntrans-79.2-8.7-179.2-64-28000112.4C480C480-D482 VanDerWaalsContact C-N 3.31Å; C480-D482 PolarHBondContact O-N 3.03Å
483H86.8Confident81.7Confident46 Ų4653.9 Ų53.921%0.21327%0.269CS..  trans-77.8125.2-177.6-167.2-83.6000111.6V441 L445 C480 A481 H485 F486V441-H483 WeakPolarHBondContact CG1-NE2 3.18Å; L445-H483 HydrophobicContact CD1-CB 4.13Å; C480-H483 VanDerWaalsContact O-CB 3.29Å; C480-H483 WeakPolarHBondContact O-CB 3.45Å; C480-H483 PolarHBondContact O-N 2.92Å; C480-H483 VanDerWaalsContact O-N 3.11Å; A481-H483 PolarHBondContact O-N 3.01Å; H483-H485 AromaticContact CE1-CD2 3.86Å; H483-H485 PolarHBondContact ND1-N 3.1Å; H483-H485 PolarHBondContact O-N 3.25Å; H483-F486 HydrophobicContact CB-CB 4.19Å; H483-F486 PolarHBondContact O-N 2.83Å
484Q86.2Confident79.6Confident167 Ų16758.4 Ų58.478%0.7830%0.301SS*.THydrogen-bonded Turntrans-55.3-32.3-173.8-176.6177.62.900114.4
485H89.1Confident78.1Confident29 Ų2962.9 Ų62.913%0.13432%0.316CS..THydrogen-bonded Turntrans-95.44.2-177-61.2-81.6000114.4H483 I509 Q510H483-H485 AromaticContact CE1-CD2 3.86Å; H483-H485 PolarHBondContact ND1-N 3.1Å; H483-H485 PolarHBondContact O-N 3.25Å; H485-I509 WeakPolarHBondContact O-CA 3.28Å; H485-Q510 HydrophobicContact CB-CB 4.21Å; H485-Q510 PolarHBondContact O-N 3.13Å; H485-Q510 VanDerWaalsContact O-N 3.1Å
486F90.1Very high76.7Confident4 Ų463.8 Ų63.82%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-108.8126176.4-179.2-96.2000110.1L445 I453 L476 C480 H483 F507L445-F486 HydrophobicContact CD1-CB 4.4Å; L445-F486 HydrophobicContact CD2-CB 4.15Å; I453-F486 HydrophobicContact CD1-CD2 4.48Å; L476-F486 HydrophobicContact CB-CE2 4.42Å; L476-F486 HydrophobicContact CB-CZ 3.87Å; L476-F486 HydrophobicContact CD1-CE2 4.43Å; C480-F486 HydrophobicContact CB-CD1 3.92Å; C480-F486 HydrophobicContact CB-CD2 4.18Å; C480-F486 HydrophobicContact CB-CE1 4.14Å; C480-F486 HydrophobicContact CB-CE2 4.38Å; C480-F486 HydrophobicContact CB-CG 3.94Å; C480-F486 HydrophobicContact CB-CZ 4.37Å; C480-F486 WeakPolarHBondContact O-CD1 3.47Å; H483-F486 HydrophobicContact CB-CB 4.19Å; H483-F486 PolarHBondContact O-N 2.83Å; F486-F507 HydrophobicContact CE2-CB 3.74Å; F486-F507 AromaticContact CE2-CD2 3.87Å; F486-F507 HydrophobicContact CE2-CD2 3.87Å; F486-F507 AromaticContact CE2-CG 3.97Å; F486-F507 HydrophobicContact CE2-CG 3.97Å; F486-F507 HydrophobicContact CZ-CB 3.86Å; F486-F507 HydrophobicContact CZ-CG 4.47Å
487E87.7Confident74.9Confident14 Ų1468.6 Ų68.67%0.06535%0.346CS..EExtended strand (participates in β ladder)trans-128.2130.2-178.7-63.9176.6-173.500109.7F496 L502 R508 K515E487-F496 HydrophobicContact CG-CE1 4.36Å; E487-F496 HydrophobicContact CG-CE2 4.24Å; E487-F496 HydrophobicContact CG-CZ 3.98Å; E487-L502 HydrophobicContact CB-CD1 4.44Å; E487-R508 HydrophobicContact CB-CB 4.14Å; E487-R508 PolarHBondContact N-O 3.03Å; E487-R508 PolarHBondContact O-N 3.3Å; E487-R508 IonicContact OE2-CZ 3.39Å; E487-R508 IonicContact OE2-NE 3.15Å; E487-R508 PolarHBondContact OE2-NE 3.25Å; E487-R508 IonicContact OE2-NH2 2.88Å; E487-R508 PolarHBondContact OE2-NH2 3.46Å; E487-K515 IonicContact OE1-NZ 3.66Å; E487-K515 PolarHBondContact OE1-NZ 3.36Å; E487-K515 IonicContact OE2-NZ 2.68Å; E487-K515 PolarHBondContact OE2-NZ 2.87Å
488S85Confident73.5Confident2 Ų274.9 Ų74.91%0.01438%0.379CS..EExtended strand (participates in β ladder)trans-148.9152.7176170.70000109.2N477 L490 S491N477-S488 WeakPolarHBondContact OD1-CB 3.38Å; N477-S488 PolarHBondContact OD1-OG 3.43Å; S488-L490 PolarHBondContact O-N 3.25Å; S488-S491 WeakPolarHBondContact O-CB 3.46Å; S488-S491 PolarHBondContact O-N 2.93Å
489R77.7Confident72.6Confident66 Ų6672.1 Ų72.125%0.24936%0.361CS..THydrogen-bonded Turntrans-60.1-32.7-176.5-169.9174.8-178.190.68.8113.3L502 H504R489-L502 PolarHBondContact NH1-O 3.48Å; R489-H504 PolarHBondContact NE-CE1 3.17Å; R489-H504 PolarHBondContact NE-NE2 2.75Å; R489-H504 VanDerWaalsContact NE-NE2 3.13Å
490L70.9Confident71.6Confident108 Ų10877.6 Ų77.657%0.56539%0.385SS*.THydrogen-bonded Turntrans-101.87.5-177.7-65.3171.5000113.4S488S488-L490 PolarHBondContact O-N 3.25Å
491S64.9Low71Confident9 Ų980.4 Ų80.46%0.06340%0.404CS..SBendtrans-64141.3174.4176.90000110.5A481 S488 N493A481-S491 VanDerWaalsContact CB-OG 3.25Å; A481-S491 WeakPolarHBondContact CB-OG 3.47Å; A481-S491 PolarHBondContact O-OG 3.48Å; S488-S491 WeakPolarHBondContact O-CB 3.46Å; S488-S491 PolarHBondContact O-N 2.93Å; S491-N493 PolarHBondContact O-N 3.28Å
492K54.4Low70.9Confident175 Ų17580.3 Ų80.376%0.76140%0.403SS*.SBendtrans-59.6-7.8-176.3-71.4-179.3179.6172.50114.7S494K492-S494 PolarHBondContact O-N 3.39Å
493N53.1Low70.8Confident72 Ų7276.5 Ų76.539%0.38539%0.386SS..  trans-78.4103.9172.9-76.6-38.1000110.8S491 K495 F496S491-N493 PolarHBondContact O-N 3.28Å; N493-K495 PolarHBondContact O-N 2.82Å; N493-F496 HydrophobicContact CB-CD2 4.39Å; N493-F496 HydrophobicContact CB-CE2 4.43Å; N493-F496 PolarHBondContact O-N 2.83Å
494S47.7Very low70.5Confident101 Ų10180.2 Ų80.271%0.70640%0.403SS*.THydrogen-bonded Turntrans-56-1.2179.9610000116.3K492K492-S494 PolarHBondContact O-N 3.39Å
495K56.6Low70.5Confident178 Ų17875.8 Ų75.877%0.77439%0.385SS*.THydrogen-bonded Turntrans-75.8-22.9-178.6-67-177.9180176.50114.2N493N493-K495 PolarHBondContact O-N 2.82Å
496F58.7Low70.5Confident47 Ų4774.5 Ų74.521%0.20638%0.379CS..SBendtrans-110.6-3.2-168.2-56.8-68.2000115.4E487 N493 N498 D499E487-F496 HydrophobicContact CG-CE1 4.36Å; E487-F496 HydrophobicContact CG-CE2 4.24Å; E487-F496 HydrophobicContact CG-CZ 3.98Å; N493-F496 HydrophobicContact CB-CD2 4.39Å; N493-F496 HydrophobicContact CB-CE2 4.43Å; N493-F496 PolarHBondContact O-N 2.83Å; F496-N498 PolarHBondContact O-N 2.85Å; F496-N498 VanDerWaalsContact O-N 3.16Å; F496-D499 PolarHBondContact O-N 2.9Å; F496-D499 VanDerWaalsContact O-N 3.09Å
497L53.5Low70.6Confident100 Ų10074.3 Ų74.352%0.52438%0.378SS..THydrogen-bonded Turntrans-58.5-28177.4-80.9150000113.1
498N57.3Low70.8Confident145 Ų14574.8 Ų74.878%0.77538%0.379SS*.THydrogen-bonded Turntrans-1015-179.9-63.5-17.6000113.7F496 H500F496-N498 PolarHBondContact O-N 2.85Å; F496-N498 VanDerWaalsContact O-N 3.16Å; N498-H500 PolarHBondContact O-N 2.76Å
499D67.7Low71.1Confident43 Ų4374.7 Ų74.723%0.2338%0.379CS..  trans-81.298177-172.1-3.4000110F496 S501 L502 R508F496-D499 PolarHBondContact O-N 2.9Å; F496-D499 VanDerWaalsContact O-N 3.09Å; D499-S501 PolarHBondContact O-N 2.88Å; D499-S501 VanDerWaalsContact O-N 3.08Å; D499-S501 VanDerWaalsContact OD1-CB 3.26Å; D499-S501 WeakPolarHBondContact OD1-CB 3.37Å; D499-S501 PolarHBondContact OD1-N 2.88Å; D499-S501 PolarHBondContact OD1-OG 3.42Å; D499-S501 PolarHBondContact OD2-OG 2.85Å; D499-S501 VanDerWaalsContact OD2-OG 3.07Å; D499-L502 HydrophobicContact CB-CD1 4.49Å; D499-L502 PolarHBondContact O-N 2.95Å; D499-L502 VanDerWaalsContact O-N 3.16Å; D499-R508 IonicContact OD2-CZ 4Å; D499-R508 IonicContact OD2-NH1 2.73Å; D499-R508 PolarHBondContact OD2-NH1 3.43Å; D499-R508 IonicContact OD2-NH2 2.85Å; D499-R508 PolarHBondContact OD2-NH2 3.45Å
500H68Low71.7Confident184 Ų18474 Ų7485%0.85238%0.378SS*.THydrogen-bonded Turntrans-62.1-12.5177.2-70.3-72.7000113.6N498 L502N498-H500 PolarHBondContact O-N 2.76Å; H500-L502 VanDerWaalsContact C-N 3.29Å; H500-L502 PolarHBondContact O-N 3.13Å
501S72.4Confident72.8Confident63 Ų6368.9 Ų68.944%0.44135%0.351SS..THydrogen-bonded Turntrans-80.2-4175.975.20000114.4D499 P503 R508D499-S501 PolarHBondContact O-N 2.88Å; D499-S501 VanDerWaalsContact O-N 3.08Å; D499-S501 VanDerWaalsContact OD1-CB 3.26Å; D499-S501 WeakPolarHBondContact OD1-CB 3.37Å; D499-S501 PolarHBondContact OD1-N 2.88Å; D499-S501 PolarHBondContact OD1-OG 3.42Å; D499-S501 PolarHBondContact OD2-OG 2.85Å; D499-S501 VanDerWaalsContact OD2-OG 3.07Å; S501-P503 WeakPolarHBondContact O-CD 3.44Å; S501-R508 PolarHBondContact OG-NH1 3.37Å
502L78.2Confident73.9Confident0 Ų070.2 Ų70.20%036%0.355CS..  trans-112.797.9178.2-92.5154.9000111.5E487 R489 D499 H500 R508 L517E487-L502 HydrophobicContact CB-CD1 4.44Å; R489-L502 PolarHBondContact NH1-O 3.48Å; D499-L502 HydrophobicContact CB-CD1 4.49Å; D499-L502 PolarHBondContact O-N 2.95Å; D499-L502 VanDerWaalsContact O-N 3.16Å; H500-L502 VanDerWaalsContact C-N 3.29Å; H500-L502 PolarHBondContact O-N 3.13Å; L502-R508 VanDerWaalsContact CD1-NH2 3.34Å; L502-R508 HydrophobicContact CD2-CB 3.97Å; L502-L517 HydrophobicContact CD2-CD1 3.81Å
503P81.5Confident75.4Confident53 Ų5362.3 Ų62.334%0.34432%0.323SS..  trans-65.9166.4172.9-18.431.9000113S501 L517S501-P503 WeakPolarHBondContact O-CD 3.44Å; P503-L517 HydrophobicContact CG-CD2 4.33Å
504H80.1Confident77.1Confident124 Ų12460 Ų6057%0.57432%0.316SS*.THydrogen-bonded Turntrans-67.7160.6165.1-61.484.1000110.1R489 C506R489-H504 PolarHBondContact NE-CE1 3.17Å; R489-H504 PolarHBondContact NE-NE2 2.75Å; R489-H504 VanDerWaalsContact NE-NE2 3.13Å; H504-C506 PolarHBondContact O-N 2.84Å; H504-C506 PolarHBondContact O-SG 3.42Å
505N86.1Confident79Confident75 Ų7559.6 Ų59.640%0.40130%0.302SS..THydrogen-bonded Turntrans58.431.7180-60.9-6.6000113.9E470 V520E470-N505 PolarHBondContact OE1-ND2 3.16Å; N505-V520 HydrophobicContact CB-CG2 4.07Å; N505-V520 WeakPolarHBondContact O-CG2 3.29Å; N505-V520 PolarHBondContact O-N 2.95Å
506C89.6Confident80.7Confident2 Ų251.1 Ų51.11%0.01427%0.265CS..EExtended strand (participates in β ladder)trans-140.1153.4177-57.60000110.7H504 L517 Y518H504-C506 PolarHBondContact O-N 2.84Å; H504-C506 PolarHBondContact O-SG 3.42Å; C506-L517 HydrophobicContact CB-CD1 3.73Å; C506-L517 HydrophobicContact CB-CG 4.18Å; C506-Y518 CarbonylContact C-O 3.57Å; C506-Y518 WeakPolarHBondContact CA-O 3.32Å; C506-Y518 WeakPolarHBondContact CB-O 3.2Å
507F91.3Very high82.3Confident0 Ų050.7 Ų50.70%026%0.264CS..EExtended strand (participates in β ladder)trans-130.3155.7165.765.6-90.5000109.8F399 I453 L473 L476 F486 I509 Y518 V520 F523F399-F507 HydrophobicContact CD2-CE2 4.43Å; F399-F507 HydrophobicContact CD2-CZ 4.37Å; F399-F507 HydrophobicContact CE2-CE2 4.37Å; F399-F507 HydrophobicContact CE2-CZ 4.48Å; I453-F507 HydrophobicContact CD1-CE2 4.49Å; L473-F507 HydrophobicContact CD1-CB 4.17Å; L473-F507 HydrophobicContact CD1-CD1 4.35Å; L476-F507 HydrophobicContact CD1-CD1 4.09Å; L476-F507 HydrophobicContact CD1-CE1 4.21Å; L476-F507 HydrophobicContact CD1-CG 4.5Å; F486-F507 HydrophobicContact CE2-CB 3.74Å; F486-F507 AromaticContact CE2-CD2 3.87Å; F486-F507 HydrophobicContact CE2-CD2 3.87Å; F486-F507 AromaticContact CE2-CG 3.97Å; F486-F507 HydrophobicContact CE2-CG 3.97Å; F486-F507 HydrophobicContact CZ-CB 3.86Å; F486-F507 HydrophobicContact CZ-CG 4.47Å; F507-I509 HydrophobicContact CD2-CD1 4.22Å; F507-I509 HydrophobicContact CD2-CG1 3.99Å; F507-I509 HydrophobicContact CE2-CD1 3.76Å; F507-I509 HydrophobicContact CE2-CG1 4.02Å; F507-Y518 HydrophobicContact CD2-CD2 4.1Å; F507-Y518 AromaticContact CE2-CD2 3.52Å; F507-Y518 HydrophobicContact CE2-CD2 3.52Å; F507-Y518 HydrophobicContact CE2-CE2 4.4Å; F507-Y518 AromaticContact CE2-CG 3.93Å; F507-Y518 HydrophobicContact CE2-CG 3.93Å; F507-Y518 HydrophobicContact CZ-CD2 4.08Å; F507-Y518 HydrophobicContact CZ-CG 4.01Å; F507-Y518 PolarHBondContact N-O 3.35Å; F507-Y518 PolarHBondContact O-N 2.7Å; F507-V520 HydrophobicContact CD1-CG1 3.62Å; F507-V520 HydrophobicContact CE1-CG1 3.88Å; F507-F523 HydrophobicContact CE1-CE1 4.18Å; F507-F523 HydrophobicContact CE1-CZ 4.12Å; F507-F523 AromaticContact CZ-CE1 3.97Å; F507-F523 HydrophobicContact CZ-CE1 3.97Å; F507-F523 AromaticContact CZ-CZ 3.95Å; F507-F523 HydrophobicContact CZ-CZ 3.95Å
508R91.3Very high84.1Confident23 Ų2346 Ų469%0.08724%0.239CC..EExtended strand (participates in β ladder)trans-123.9133.8-177.2-177.9164.475.9-168.90.7110.1E487 D499 S501 L502 K515 V516 L517E487-R508 HydrophobicContact CB-CB 4.14Å; E487-R508 PolarHBondContact N-O 3.03Å; E487-R508 PolarHBondContact O-N 3.3Å; E487-R508 IonicContact OE2-CZ 3.39Å; E487-R508 IonicContact OE2-NE 3.15Å; E487-R508 PolarHBondContact OE2-NE 3.25Å; E487-R508 IonicContact OE2-NH2 2.88Å; E487-R508 PolarHBondContact OE2-NH2 3.46Å; D499-R508 IonicContact OD2-CZ 4Å; D499-R508 IonicContact OD2-NH1 2.73Å; D499-R508 PolarHBondContact OD2-NH1 3.43Å; D499-R508 IonicContact OD2-NH2 2.85Å; D499-R508 PolarHBondContact OD2-NH2 3.45Å; S501-R508 PolarHBondContact OG-NH1 3.37Å; L502-R508 VanDerWaalsContact CD1-NH2 3.34Å; L502-R508 HydrophobicContact CD2-CB 3.97Å; R508-K515 HydrophobicContact CG-CB 4.07Å; R508-V516 VanDerWaalsContact CA-O 3.26Å; R508-V516 WeakPolarHBondContact CA-O 3.3Å; R508-L517 HydrophobicContact CB-CD1 4.11Å
509I92.8Very high85.8Confident0 Ų043.7 Ų43.70%022%0.22CC..EExtended strand (participates in β ladder)trans-116.8134.1176.4-59.2179000108.7F399 I442 L445 I453 H485 F507 H511 K515 V516 Y518F399-I509 HydrophobicContact CD2-CD1 4.3Å; F399-I509 HydrophobicContact CE2-CD1 3.69Å; I442-I509 HydrophobicContact CG2-CG2 4.09Å; L445-I509 HydrophobicContact CD2-CG2 4.4Å; I453-I509 HydrophobicContact CD1-CD1 3.6Å; H485-I509 WeakPolarHBondContact O-CA 3.28Å; F507-I509 HydrophobicContact CD2-CD1 4.22Å; F507-I509 HydrophobicContact CD2-CG1 3.99Å; F507-I509 HydrophobicContact CE2-CD1 3.76Å; F507-I509 HydrophobicContact CE2-CG1 4.02Å; I509-H511 PolarHBondContact O-N 2.88Å; I509-K515 WeakPolarHBondContact O-CA 3.42Å; I509-V516 PolarHBondContact N-O 2.91Å; I509-V516 PolarHBondContact O-N 2.83Å; I509-Y518 HydrophobicContact CB-CE2 4.2Å; I509-Y518 HydrophobicContact CD1-CD2 4.4Å; I509-Y518 HydrophobicContact CD1-CE2 4.09Å; I509-Y518 HydrophobicContact CG1-CD2 4.41Å; I509-Y518 HydrophobicContact CG1-CE2 4.22Å
510Q90.8Very high86.8Confident51 Ų5141.8 Ų41.824%0.23821%0.21CC..EExtended strand (participates in β ladder)trans-82.597.7169.7178.166.361.400109.3I442 H485I442-Q510 WeakPolarHBondContact CD1-O 3.21Å; H485-Q510 HydrophobicContact CB-CB 4.21Å; H485-Q510 PolarHBondContact O-N 3.13Å; H485-Q510 VanDerWaalsContact O-N 3.1Å
511H92.1Very high87.8Confident1 Ų140.3 Ų40.31%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-85.5172.1172.8-70.8-90.1000111.7F388 E406 I509 A513 G514 Y518F388-H511 HydrophobicContact CE2-CB 3.82Å; F388-H511 AromaticContact CE2-CG 3.89Å; F388-H511 AromaticContact CE2-ND1 3.88Å; F388-H511 HydrophobicContact CZ-CB 3.49Å; F388-H511 VanDerWaalsContact CZ-CB 3.49Å; F388-H511 AromaticContact CZ-CD2 3.97Å; F388-H511 AromaticContact CZ-CG 3.55Å; F388-H511 AromaticContact CZ-ND1 3.96Å; E406-H511 IonicContact OE2-CG 2.83Å; E406-H511 IonicContact OE2-ND1 3.25Å; E406-H511 PolarHBondContact OE2-ND1 3.08Å; I509-H511 PolarHBondContact O-N 2.88Å; H511-A513 PolarHBondContact O-N 2.8Å; H511-G514 WeakPolarHBondContact CB-O 3.24Å; H511-G514 PolarHBondContact N-O 3.06Å; H511-G514 PolarHBondContact O-N 3.33Å; H511-G514 VanDerWaalsContact O-N 3.14Å; H511-Y518 AromaticContact NE2-CE2 3.66Å; H511-Y518 AromaticContact NE2-CZ 3.71Å; H511-Y518 PolarHBondContact NE2-OH 2.93Å
512Y88.3Confident88.4Confident37 Ų3737.7 Ų37.715%0.14519%0.186CC..THydrogen-bonded Turntrans-60.1-32.217279-92.4000113.4F388 N405 E406 Q409 N439 G514 Y615F388-Y512 AromaticContact CD2-CE1 3.79Å; F388-Y512 HydrophobicContact CD2-CE1 3.79Å; F388-Y512 HydrophobicContact CE2-CD1 4.48Å; F388-Y512 HydrophobicContact CE2-CE1 4.09Å; N405-Y512 HydrophobicContact CB-CE1 4.45Å; E406-Y512 WeakPolarHBondContact OE1-CD1 3.36Å; E406-Y512 PolarHBondContact OE1-N 3.13Å; E406-Y512 WeakPolarHBondContact OE2-CD1 3.5Å; Q409-Y512 HydrophobicContact CB-CD1 4.13Å; Q409-Y512 HydrophobicContact CB-CE1 3.93Å; Q409-Y512 HydrophobicContact CG-CD1 4.09Å; Q409-Y512 HydrophobicContact CG-CD2 4.14Å; Q409-Y512 HydrophobicContact CG-CE1 4.18Å; Q409-Y512 HydrophobicContact CG-CE2 4.23Å; Q409-Y512 HydrophobicContact CG-CG 4.07Å; N439-Y512 WeakPolarHBondContact ND2-CB 3.47Å; Y512-G514 VanDerWaalsContact C-N 3.28Å; Y512-G514 PolarHBondContact O-N 3.46Å; Y512-Y615 WeakPolarHBondContact CE2-O 3.47Å; Y512-Y615 PolarHBondContact OH-O 2.92Å
513A86.9Confident88.9Confident10 Ų1037.7 Ų37.78%0.08319%0.186CC..THydrogen-bonded Turntrans-81.8-6.1-179.800000113.3F388 H511 Y615F388-A513 HydrophobicContact CD1-CB 3.71Å; F388-A513 HydrophobicContact CD2-CB 4.09Å; F388-A513 HydrophobicContact CE1-CB 3.7Å; F388-A513 HydrophobicContact CE2-CB 4.08Å; F388-A513 HydrophobicContact CG-CB 3.92Å; F388-A513 HydrophobicContact CZ-CB 3.91Å; H511-A513 PolarHBondContact O-N 2.8Å; A513-Y615 HydrophobicContact CB-CD1 4.45Å
514G87.8Confident89.1Confident23 Ų2335.5 Ų35.524%0.23717%0.172CC..EExtended strand (participates in β ladder)trans126-174.6-176.400000113.4H511 Y512H511-G514 WeakPolarHBondContact CB-O 3.24Å; H511-G514 PolarHBondContact N-O 3.06Å; H511-G514 PolarHBondContact O-N 3.33Å; H511-G514 VanDerWaalsContact O-N 3.14Å; Y512-G514 VanDerWaalsContact C-N 3.28Å; Y512-G514 PolarHBondContact O-N 3.46Å
515K89.1Confident89.1Confident93 Ų9332.9 Ų32.940%0.40416%0.162SC..EExtended strand (participates in β ladder)trans-76130.3177-63.8-169.3-178.4-158.70110.7E487 R508 I509E487-K515 IonicContact OE1-NZ 3.66Å; E487-K515 PolarHBondContact OE1-NZ 3.36Å; E487-K515 IonicContact OE2-NZ 2.68Å; E487-K515 PolarHBondContact OE2-NZ 2.87Å; R508-K515 HydrophobicContact CG-CB 4.07Å; I509-K515 WeakPolarHBondContact O-CA 3.42Å
516V91.2Very high88.9Confident0 Ų032 Ų320%016%0.155CC..EExtended strand (participates in β ladder)trans-119.3126.5175.6-172.50000109.5F388 I390 N394 R508 I509 Y518F388-V516 HydrophobicContact CE1-CG2 3.65Å; F388-V516 HydrophobicContact CZ-CG2 3.76Å; I390-V516 HydrophobicContact CD1-CG2 3.86Å; I390-V516 HydrophobicContact CG1-CG2 3.97Å; N394-V516 HydrophobicContact CB-CG1 4.17Å; R508-V516 VanDerWaalsContact CA-O 3.26Å; R508-V516 WeakPolarHBondContact CA-O 3.3Å; I509-V516 PolarHBondContact N-O 2.91Å; I509-V516 PolarHBondContact O-N 2.83Å; V516-Y518 HydrophobicContact CB-CE2 3.82Å; V516-Y518 HydrophobicContact CG1-CD1 4.36Å; V516-Y518 HydrophobicContact CG1-CD2 4.32Å; V516-Y518 HydrophobicContact CG1-CE1 3.77Å; V516-Y518 HydrophobicContact CG1-CE2 3.75Å; V516-Y518 VanDerWaalsContact CG1-CZ 3.44Å
517L92.1Very high88.7Confident38 Ų3832 Ų3220%0.19915%0.154CC..EExtended strand (participates in β ladder)trans-94.2121175.8-176.674.3000109.5N394 L502 P503 C506 R508N394-L517 VanDerWaalsContact CB-O 3.3Å; N394-L517 WeakPolarHBondContact CB-O 3.46Å; N394-L517 PolarHBondContact ND2-O 2.77Å; L502-L517 HydrophobicContact CD2-CD1 3.81Å; P503-L517 HydrophobicContact CG-CD2 4.33Å; C506-L517 HydrophobicContact CB-CD1 3.73Å; C506-L517 HydrophobicContact CB-CG 4.18Å; R508-L517 HydrophobicContact CB-CD1 4.11Å
518Y92.7Very high88Confident0 Ų033.3 Ų33.30%016%0.161CC..EExtended strand (participates in β ladder)trans-107.6130.3177.2-60.6-80.5000110.4N394 Q398 F399 N402 C506 F507 I509 H511 V516N394-Y518 HydrophobicContact CB-CD1 3.59Å; N394-Y518 HydrophobicContact CB-CE1 3.91Å; N394-Y518 HydrophobicContact CB-CG 4.41Å; N394-Y518 WeakPolarHBondContact O-CA 3.42Å; Q398-Y518 HydrophobicContact CB-CE1 4.23Å; F399-Y518 HydrophobicContact CB-CD1 3.99Å; F399-Y518 HydrophobicContact CB-CE1 3.78Å; F399-Y518 HydrophobicContact CD2-CD1 4.48Å; F399-Y518 HydrophobicContact CD2-CD2 4.42Å; F399-Y518 HydrophobicContact CD2-CE1 4.25Å; F399-Y518 HydrophobicContact CD2-CE2 4.16Å; N402-Y518 WeakPolarHBondContact CB-OH 3.19Å; N402-Y518 PolarHBondContact ND2-OH 3.19Å; C506-Y518 CarbonylContact C-O 3.57Å; C506-Y518 WeakPolarHBondContact CA-O 3.32Å; C506-Y518 WeakPolarHBondContact CB-O 3.2Å; F507-Y518 HydrophobicContact CD2-CD2 4.1Å; F507-Y518 AromaticContact CE2-CD2 3.52Å; F507-Y518 HydrophobicContact CE2-CD2 3.52Å; F507-Y518 HydrophobicContact CE2-CE2 4.4Å; F507-Y518 AromaticContact CE2-CG 3.93Å; F507-Y518 HydrophobicContact CE2-CG 3.93Å; F507-Y518 HydrophobicContact CZ-CD2 4.08Å; F507-Y518 HydrophobicContact CZ-CG 4.01Å; F507-Y518 PolarHBondContact N-O 3.35Å; F507-Y518 PolarHBondContact O-N 2.7Å; I509-Y518 HydrophobicContact CB-CE2 4.2Å; I509-Y518 HydrophobicContact CD1-CD2 4.4Å; I509-Y518 HydrophobicContact CD1-CE2 4.09Å; I509-Y518 HydrophobicContact CG1-CD2 4.41Å; I509-Y518 HydrophobicContact CG1-CE2 4.22Å; H511-Y518 AromaticContact NE2-CE2 3.66Å; H511-Y518 AromaticContact NE2-CZ 3.71Å; H511-Y518 PolarHBondContact NE2-OH 2.93Å; V516-Y518 HydrophobicContact CB-CE2 3.82Å; V516-Y518 HydrophobicContact CG1-CD1 4.36Å; V516-Y518 HydrophobicContact CG1-CD2 4.32Å; V516-Y518 HydrophobicContact CG1-CE1 3.77Å; V516-Y518 HydrophobicContact CG1-CE2 3.75Å; V516-Y518 VanDerWaalsContact CG1-CZ 3.44Å
519R91.3Very high87.2Confident98 Ų9832.6 Ų32.637%0.3716%0.159SC..EExtended strand (participates in β ladder)trans-83.8131.6171.2-63.7-176.7-172.4-101.42.9108.7D393 N394 E521 F523D393-R519 VanDerWaalsContact CG-NE 3.34Å; D393-R519 IonicContact OD1-CZ 3.24Å; D393-R519 IonicContact OD1-NE 2.67Å; D393-R519 PolarHBondContact OD1-NE 3.19Å; D393-R519 IonicContact OD1-NH2 3.13Å; D393-R519 PolarHBondContact OD1-NH2 3.41Å; N394-R519 PolarHBondContact O-N 3.39Å; R519-E521 VanDerWaalsContact C-N 3.26Å; R519-E521 PolarHBondContact O-N 3.47Å; R519-F523 WeakPolarHBondContact O-CD2 3.48Å; R519-F523 WeakPolarHBondContact O-CE2 3.49Å
520V90.3Very high86.2Confident2 Ų234.1 Ų34.11%0.01217%0.167CC..  trans-75.2-16.7-177.3-59.40000113.6D469 L473 N505 F507 G522 F523D469-V520 HydrophobicContact CB-CB 4.23Å; D469-V520 HydrophobicContact CB-CG2 3.92Å; D469-V520 WeakPolarHBondContact CB-O 3.33Å; L473-V520 HydrophobicContact CB-CG1 4.05Å; L473-V520 HydrophobicContact CB-CG2 4.33Å; L473-V520 HydrophobicContact CD1-CG1 3.95Å; L473-V520 HydrophobicContact CD2-CG1 4.14Å; L473-V520 HydrophobicContact CD2-CG2 4.24Å; L473-V520 HydrophobicContact CG-CG1 4.26Å; N505-V520 HydrophobicContact CB-CG2 4.07Å; N505-V520 WeakPolarHBondContact O-CG2 3.29Å; N505-V520 PolarHBondContact O-N 2.95Å; F507-V520 HydrophobicContact CD1-CG1 3.62Å; F507-V520 HydrophobicContact CE1-CG1 3.88Å; V520-G522 PolarHBondContact O-N 2.94Å; V520-F523 WeakPolarHBondContact O-CB 3.32Å; V520-F523 WeakPolarHBondContact O-CD2 3.48Å; V520-F523 PolarHBondContact O-N 3.43Å
521E88.8Confident85.8Confident154 Ų15432.3 Ų32.372%0.7216%0.159SC*.THydrogen-bonded Turntrans-53.6121.3-178.6-170.6-177.6169.700112.3D469 R519D469-E521 WeakPolarHBondContact OD2-CA 3.42Å; R519-E521 VanDerWaalsContact C-N 3.26Å; R519-E521 PolarHBondContact O-N 3.47Å
522G84.4Confident85.2Confident8 Ų833.2 Ų33.28%0.08216%0.163CC..THydrogen-bonded Turntrans78.97.5179.800000115.2D469 V520 K526D469-G522 PolarHBondContact OD2-N 3.01Å; V520-G522 PolarHBondContact O-N 2.94Å; G522-K526 WeakPolarHBondContact O-CB 3.48Å; G522-K526 WeakPolarHBondContact O-CD 3.48Å; G522-K526 WeakPolarHBondContact O-CG 3.4Å; G522-K526 PolarHBondContact O-N 3.3Å
523F88.7Confident84.9Confident0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-62.1-46175.7-96.1-117.2000111.5F396 F399 L457 D469 F472 F507 R519 V520 K526 N527F396-F523 HydrophobicContact CB-CD1 4.31Å; F396-F523 HydrophobicContact CB-CD2 4.12Å; F396-F523 HydrophobicContact CB-CE1 4.32Å; F396-F523 HydrophobicContact CB-CE2 4.13Å; F396-F523 HydrophobicContact CB-CG 4.22Å; F396-F523 HydrophobicContact CB-CZ 4.23Å; F396-F523 AromaticContact CD2-CD1 3.88Å; F396-F523 HydrophobicContact CD2-CD1 3.88Å; F396-F523 HydrophobicContact CD2-CE1 4.01Å; F396-F523 HydrophobicContact CD2-CG 4.46Å; F399-F523 HydrophobicContact CB-CE1 4.31Å; F399-F523 HydrophobicContact CB-CZ 4.09Å; F399-F523 HydrophobicContact CD1-CE1 4.34Å; F399-F523 HydrophobicContact CG-CE1 4.21Å; F399-F523 HydrophobicContact CG-CZ 4.4Å; L457-F523 HydrophobicContact CD1-CB 4.1Å; L457-F523 HydrophobicContact CD2-CD1 4.16Å; D469-F523 PolarHBondContact OD1-N 3.17Å; F472-F523 HydrophobicContact CD1-CB 4.26Å; F472-F523 HydrophobicContact CE1-CB 4.1Å; F472-F523 AromaticContact CE1-CD1 3.79Å; F472-F523 HydrophobicContact CE1-CD1 3.79Å; F472-F523 HydrophobicContact CE1-CG 4.16Å; F472-F523 HydrophobicContact CZ-CD1 4.28Å; F507-F523 HydrophobicContact CE1-CE1 4.18Å; F507-F523 HydrophobicContact CE1-CZ 4.12Å; F507-F523 AromaticContact CZ-CE1 3.97Å; F507-F523 HydrophobicContact CZ-CE1 3.97Å; F507-F523 AromaticContact CZ-CZ 3.95Å; F507-F523 HydrophobicContact CZ-CZ 3.95Å; R519-F523 WeakPolarHBondContact O-CD2 3.48Å; R519-F523 WeakPolarHBondContact O-CE2 3.49Å; V520-F523 WeakPolarHBondContact O-CB 3.32Å; V520-F523 WeakPolarHBondContact O-CD2 3.48Å; V520-F523 PolarHBondContact O-N 3.43Å; F523-K526 PolarHBondContact O-N 3.1Å; F523-N527 WeakPolarHBondContact O-CB 3.41Å; F523-N527 PolarHBondContact O-N 3.27Å
524V85.8Confident84.8Confident7 Ų734.9 Ų34.94%0.04217%0.168CC..Hα-helixtrans-65.7-47.2179.2175.70000110.2L457 V467 D469 F472 K526 N527 N528L457-V524 HydrophobicContact CD1-CG2 4.24Å; V467-V524 HydrophobicContact CG1-CG1 3.94Å; V467-V524 HydrophobicContact CG1-CG2 4.25Å; D469-V524 WeakPolarHBondContact OD1-CB 3.38Å; D469-V524 WeakPolarHBondContact OD1-CG2 3.33Å; D469-V524 PolarHBondContact OD1-N 3.43Å; F472-V524 HydrophobicContact CB-CG2 4.16Å; V524-K526 VanDerWaalsContact C-N 3.32Å; V524-K526 PolarHBondContact O-N 2.98Å; V524-N527 PolarHBondContact O-N 3.1Å; V524-N528 PolarHBondContact O-N 3.34Å; V524-N528 PolarHBondContact O-ND2 3.48Å
525D79.8Confident84.9Confident68 Ų6833.8 Ų33.836%0.36416%0.157SC..Hα-helixtrans-58.3-42178.2-72-24.7000112.8Y344Y344-D525 HydrophobicContact CE1-CB 4.47Å; Y344-D525 PolarHBondContact OH-OD1 2.81Å
526K82.4Confident84.8Confident58 Ų5829.6 Ų29.625%0.25214%0.139SC..Hα-helixtrans-76.1-28.7-178.8-70.6170.2-178.7-163.30112.3S395 F396 E397 G522 F523 V524S395-K526 PolarHBondContact OG-NZ 3.12Å; F396-K526 HydrophobicContact CB-CB 4.21Å; F396-K526 HydrophobicContact CB-CD 3.93Å; F396-K526 HydrophobicContact CD1-CB 3.84Å; F396-K526 HydrophobicContact CG-CB 4.19Å; E397-K526 VanDerWaalsContact CD-NZ 3.29Å; E397-K526 WeakPolarHBondContact OE1-CD 3.34Å; E397-K526 VanDerWaalsContact OE1-CE 3.31Å; E397-K526 WeakPolarHBondContact OE1-CE 3.41Å; E397-K526 IonicContact OE1-NZ 3.13Å; E397-K526 PolarHBondContact OE1-NZ 3.33Å; E397-K526 IonicContact OE2-NZ 3.9Å; E397-K526 PolarHBondContact OE2-NZ 3.28Å; G522-K526 WeakPolarHBondContact O-CB 3.48Å; G522-K526 WeakPolarHBondContact O-CD 3.48Å; G522-K526 WeakPolarHBondContact O-CG 3.4Å; G522-K526 PolarHBondContact O-N 3.3Å; F523-K526 PolarHBondContact O-N 3.1Å; V524-K526 VanDerWaalsContact C-N 3.32Å; V524-K526 PolarHBondContact O-N 2.98Å
527N85.1Confident84.7Confident0 Ų031.8 Ų31.80%015%0.15CC..Hα-helixtrans-76.8-26.1175.2-16444.9000112.9L457 D458 C461 F523 V524 D529 A567 G568L457-N527 HydrophobicContact CD1-CB 4.39Å; L457-N527 HydrophobicContact CD2-CB 3.78Å; L457-N527 HydrophobicContact CG-CB 3.9Å; D458-N527 PolarHBondContact OD1-ND2 2.76Å; C461-N527 PolarHBondContact SG-ND2 3.42Å; C461-N527 VanDerWaalsContact SG-ND2 3.37Å; F523-N527 WeakPolarHBondContact O-CB 3.41Å; F523-N527 PolarHBondContact O-N 3.27Å; V524-N527 PolarHBondContact O-N 3.1Å; N527-D529 VanDerWaalsContact C-N 3.34Å; N527-D529 PolarHBondContact O-N 3.45Å; N527-A567 PolarHBondContact O-N 3.24Å; N527-A567 PolarHBondContact OD1-N 3.26Å; N527-G568 WeakPolarHBondContact OD1-CA 3.22Å; N527-G568 PolarHBondContact OD1-N 2.81Å
528N76.4Confident84.5Confident28 Ų2830.1 Ų30.115%0.1514%0.141CC..  trans-68.982.2174.6-80.8-36.4000112.2V524V524-N528 PolarHBondContact O-N 3.34Å; V524-N528 PolarHBondContact O-ND2 3.48Å
529D74.3Confident84.5Confident8 Ų830.2 Ų30.24%0.04314%0.142CC..  trans-10541.7172.4-166.128.4000111.5K189 N352 N527 L531 A567 Q570K189-D529 IonicContact NZ-OD2 2.88Å; K189-D529 PolarHBondContact NZ-OD2 2.7Å; N352-D529 PolarHBondContact ND2-OD1 3.05Å; N527-D529 VanDerWaalsContact C-N 3.34Å; N527-D529 PolarHBondContact O-N 3.45Å; D529-L531 PolarHBondContact O-N 3.37Å; D529-A567 HydrophobicContact CB-CB 4.11Å; D529-Q570 PolarHBondContact OD2-NE2 2.91Å
530L72.9Confident84.4Confident32 Ų3228.7 Ų28.717%0.16814%0.136CC..  trans-77.287.4-173.2-64.9172.4000111.5Y532 P564L530-Y532 HydrophobicContact CB-CD1 4.46Å; L530-Y532 HydrophobicContact CB-CE1 3.85Å; L530-Y532 HydrophobicContact CD1-CE1 4.34Å; L530-Y532 PolarHBondContact O-N 3.37Å; L530-Y532 VanDerWaalsContact O-N 3.12Å; L530-P564 HydrophobicContact CD2-CG 3.96Å
531L80.8Confident84.3Confident13 Ų1335.2 Ų35.27%0.06817%0.165CC..  trans-73.8100.4168-174.370.8000110L349 N352 D529 L535 S536 F551L349-L531 HydrophobicContact CD1-CD1 4.27Å; N352-L531 HydrophobicContact CB-CD1 4.45Å; N352-L531 HydrophobicContact CB-CD2 4.18Å; D529-L531 PolarHBondContact O-N 3.37Å; L531-L535 HydrophobicContact CD1-CB 4.02Å; L531-L535 HydrophobicContact CD1-CD1 4.1Å; L531-S536 WeakPolarHBondContact CD2-OG 3.41Å; L531-F551 HydrophobicContact CD2-CD1 4.23Å; L531-F551 HydrophobicContact CD2-CE1 3.84Å
532Y79.9Confident84.3Confident21 Ų2127.9 Ų27.98%0.08213%0.13CC..  trans-66.6150.1177.9-57.2-50000111.9R324 L337 A345 L530 D534 L535 S536R324-Y532 HydrophobicContact CG-CD1 4.36Å; R324-Y532 HydrophobicContact CG-CG 4.4Å; L337-Y532 HydrophobicContact CD1-CD2 4.39Å; L337-Y532 HydrophobicContact CD1-CE2 4.18Å; L337-Y532 HydrophobicContact CD2-CE2 4.49Å; A345-Y532 HydrophobicContact CB-CD2 4.33Å; A345-Y532 HydrophobicContact CB-CE2 4.27Å; L530-Y532 HydrophobicContact CB-CD1 4.46Å; L530-Y532 HydrophobicContact CB-CE1 3.85Å; L530-Y532 HydrophobicContact CD1-CE1 4.34Å; L530-Y532 PolarHBondContact O-N 3.37Å; L530-Y532 VanDerWaalsContact O-N 3.12Å; Y532-D534 VanDerWaalsContact C-N 3.26Å; Y532-D534 PolarHBondContact O-N 2.95Å; Y532-L535 WeakPolarHBondContact O-CB 3.4Å; Y532-L535 PolarHBondContact O-N 3.38Å; Y532-L535 VanDerWaalsContact O-N 3.12Å; Y532-S536 PolarHBondContact O-N 2.88Å
533R81.9Confident84.5Confident60 Ų6034 Ų3423%0.22616%0.161CC..Hα-helixtrans-58.2-37.8-178.5-176.1178.969.6174.74.6113E327 L535 S536 Q537E327-R533 IonicContact OE2-CZ 2.66Å; E327-R533 IonicContact OE2-NH1 2.95Å; E327-R533 PolarHBondContact OE2-NH1 3.14Å; E327-R533 IonicContact OE2-NH2 3.82Å; E327-R533 PolarHBondContact OE2-NH2 2.9Å; R533-L535 PolarHBondContact O-N 2.92Å; R533-S536 PolarHBondContact O-N 2.89Å; R533-Q537 HydrophobicContact CG-CG 4.08Å; R533-Q537 WeakPolarHBondContact O-CB 3.34Å; R533-Q537 WeakPolarHBondContact O-CG 3.38Å; R533-Q537 PolarHBondContact O-N 3.06Å
534D85.4Confident84.5Confident22 Ų2234.7 Ų34.712%0.11816%0.164CC..Hα-helixtrans-60.2-36.8-179.3-55.3-71.2000111.3A320 R324 T325 Y532 A538A320-D534 HydrophobicContact CB-CB 4.11Å; R324-D534 WeakPolarHBondContact CA-OD2 3.4Å; T325-D534 WeakPolarHBondContact CB-OD1 3.22Å; T325-D534 PolarHBondContact N-OD2 3.2Å; T325-D534 PolarHBondContact OG1-OD1 3.25Å; Y532-D534 VanDerWaalsContact C-N 3.26Å; Y532-D534 PolarHBondContact O-N 2.95Å; D534-A538 VanDerWaalsContact O-CB 3.32Å; D534-A538 WeakPolarHBondContact O-CB 3.46Å; D534-A538 PolarHBondContact O-N 3.05Å
535L88.9Confident84.6Confident0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-67.7-47.7174.2-62.3168.3000111.3L317 A320 F321 A345 L349 L531 Y532 R533 Q537 A538 M539L317-L535 HydrophobicContact CD1-CD2 4.43Å; A320-L535 HydrophobicContact CB-CD2 3.83Å; A320-L535 HydrophobicContact CB-CG 4.47Å; F321-L535 HydrophobicContact CD1-CD2 3.86Å; F321-L535 HydrophobicContact CE1-CD2 3.71Å; F321-L535 HydrophobicContact CZ-CD2 4.43Å; A345-L535 HydrophobicContact CB-CD1 4.16Å; L349-L535 HydrophobicContact CB-CD1 4.42Å; L349-L535 HydrophobicContact CD1-CB 4.49Å; L349-L535 HydrophobicContact CD2-CD2 4.33Å; L531-L535 HydrophobicContact CD1-CB 4.02Å; L531-L535 HydrophobicContact CD1-CD1 4.1Å; Y532-L535 WeakPolarHBondContact O-CB 3.4Å; Y532-L535 PolarHBondContact O-N 3.38Å; Y532-L535 VanDerWaalsContact O-N 3.12Å; R533-L535 PolarHBondContact O-N 2.92Å; L535-Q537 VanDerWaalsContact C-N 3.3Å; L535-Q537 PolarHBondContact O-N 3.38Å; L535-A538 PolarHBondContact O-N 2.75Å; L535-M539 WeakPolarHBondContact O-CG 3.47Å; L535-M539 PolarHBondContact O-N 2.92Å
536S88.5Confident85.2Confident4 Ų435.2 Ų35.23%0.02817%0.173CC..Hα-helixtrans-59.6-40.1175.9-65.90000112.1L531 Y532 R533 M539 Y540 E553 G554L531-S536 WeakPolarHBondContact CD2-OG 3.41Å; Y532-S536 PolarHBondContact O-N 2.88Å; R533-S536 PolarHBondContact O-N 2.89Å; S536-M539 PolarHBondContact O-N 2.59Å; S536-Y540 WeakPolarHBondContact O-CB 3.48Å; S536-Y540 PolarHBondContact O-N 3.31Å; S536-E553 WeakPolarHBondContact CB-OE1 3.41Å; S536-E553 PolarHBondContact OG-OE1 3.3Å; S536-G554 WeakPolarHBondContact O-CA 3.36Å
537Q87.8Confident85.6Confident47 Ų4732.4 Ų32.422%0.2216%0.161CC..Hα-helixtrans-68.3-40.5176.9-73.8-179-6.600112.3R533 L535 Y540 K541 G554R533-Q537 HydrophobicContact CG-CG 4.08Å; R533-Q537 WeakPolarHBondContact O-CB 3.34Å; R533-Q537 WeakPolarHBondContact O-CG 3.38Å; R533-Q537 PolarHBondContact O-N 3.06Å; L535-Q537 VanDerWaalsContact C-N 3.3Å; L535-Q537 PolarHBondContact O-N 3.38Å; Q537-Y540 PolarHBondContact O-N 2.78Å; Q537-K541 WeakPolarHBondContact O-CG 3.45Å; Q537-K541 PolarHBondContact O-N 3.49Å; Q537-G554 WeakPolarHBondContact CG-O 3.3Å
538A89.3Confident85.8Confident3 Ų336 Ų363%0.02518%0.177CC..Hα-helixtrans-61.1-45.5174.800000111V316 L317 A320 D534 L535 K541 A542V316-A538 HydrophobicContact CG1-CB 3.92Å; L317-A538 HydrophobicContact CD1-CB 4.16Å; A320-A538 HydrophobicContact CB-CB 4.39Å; D534-A538 VanDerWaalsContact O-CB 3.32Å; D534-A538 WeakPolarHBondContact O-CB 3.46Å; D534-A538 PolarHBondContact O-N 3.05Å; L535-A538 PolarHBondContact O-N 2.75Å; A538-K541 PolarHBondContact O-N 3.07Å; A538-A542 PolarHBondContact O-N 2.94Å
539M91.2Very high86.5Confident1 Ų140.3 Ų40.31%0.00520%0.196CC..Hα-helixtrans-65.1-40.8176.4-66.9-56.4105.200112.2L310 L317 L349 L535 S536 K541 A542 I547 F551L310-M539 HydrophobicContact CD1-SD 4.47Å; L317-M539 HydrophobicContact CD1-CE 3.59Å; L317-M539 HydrophobicContact CD2-CE 3.91Å; L317-M539 HydrophobicContact CG-CE 4.42Å; L349-M539 HydrophobicContact CD1-CG 3.73Å; L349-M539 HydrophobicContact CD1-SD 4.1Å; L349-M539 HydrophobicContact CD2-CE 4.09Å; L349-M539 HydrophobicContact CD2-SD 4.42Å; L535-M539 WeakPolarHBondContact O-CG 3.47Å; L535-M539 PolarHBondContact O-N 2.92Å; S536-M539 PolarHBondContact O-N 2.59Å; M539-K541 VanDerWaalsContact C-N 3.28Å; M539-K541 PolarHBondContact O-N 2.78Å; M539-A542 WeakPolarHBondContact O-CB 3.36Å; M539-A542 PolarHBondContact O-N 2.98Å; M539-A542 VanDerWaalsContact O-N 3.12Å; M539-I547 HydrophobicContact CB-CG2 3.73Å; M539-I547 HydrophobicContact CG-CG2 4.43Å; M539-I547 WeakPolarHBondContact O-CG2 3.29Å; M539-I547 HydrophobicContact SD-CG2 4.22Å; M539-F551 HydrophobicContact CB-CB 4.13Å; M539-F551 HydrophobicContact CB-CD1 4.13Å; M539-F551 HydrophobicContact CB-CD2 3.57Å; M539-F551 HydrophobicContact CB-CE1 4.46Å; M539-F551 HydrophobicContact CB-CE2 3.96Å; M539-F551 HydrophobicContact CB-CG 3.68Å; M539-F551 HydrophobicContact CB-CZ 4.39Å; M539-F551 HydrophobicContact CG-CD1 4.42Å; M539-F551 HydrophobicContact CG-CD2 4.12Å; M539-F551 HydrophobicContact CG-CE1 4.28Å; M539-F551 HydrophobicContact CG-CE2 3.99Å; M539-F551 HydrophobicContact CG-CG 4.35Å; M539-F551 HydrophobicContact CG-CZ 4.06Å
540Y89.4Confident87.3Confident66 Ų6640.5 Ų40.526%0.25920%0.197SC..Hα-helixtrans-67.1-27.4176.8-172.9-98.5000113.3S536 Q537 A542 K548 F551 N555S536-Y540 WeakPolarHBondContact O-CB 3.48Å; S536-Y540 PolarHBondContact O-N 3.31Å; Q537-Y540 PolarHBondContact O-N 2.78Å; Y540-A542 VanDerWaalsContact C-N 3.26Å; Y540-A542 PolarHBondContact O-N 3.46Å; Y540-K548 WeakPolarHBondContact O-CE 3.08Å; Y540-K548 VanDerWaalsContact O-CG 3.24Å; Y540-K548 WeakPolarHBondContact O-CG 3.29Å; Y540-F551 WeakPolarHBondContact CD2-O 3.29Å; Y540-N555 HydrophobicContact CD1-CB 4.26Å; Y540-N555 HydrophobicContact CD2-CB 4.5Å; Y540-N555 HydrophobicContact CE1-CB 3.75Å; Y540-N555 HydrophobicContact CE2-CB 4Å; Y540-N555 PolarHBondContact OH-ND2 2.93Å
541K89.3Confident88.1Confident140 Ų14039 Ų3961%0.60919%0.189SC*.Hα-helixtrans-74.6-14.4173.7-76.6-179.5177.5-175.40113.5Q537 A538 M539Q537-K541 WeakPolarHBondContact O-CG 3.45Å; Q537-K541 PolarHBondContact O-N 3.49Å; A538-K541 PolarHBondContact O-N 3.07Å; M539-K541 VanDerWaalsContact C-N 3.28Å; M539-K541 PolarHBondContact O-N 2.78Å
542A88.9Confident88.5Confident0 Ų041.8 Ų41.80%021%0.208CC..SBendtrans-53.6140.1-179.900000112.9L310 T312 A538 M539 Y540 H544 I547 K548L310-A542 WeakPolarHBondContact O-CB 3.44Å; T312-A542 HydrophobicContact CG2-CB 3.34Å; A538-A542 PolarHBondContact O-N 2.94Å; M539-A542 WeakPolarHBondContact O-CB 3.36Å; M539-A542 PolarHBondContact O-N 2.98Å; M539-A542 VanDerWaalsContact O-N 3.12Å; Y540-A542 VanDerWaalsContact C-N 3.26Å; Y540-A542 PolarHBondContact O-N 3.46Å; A542-H544 PolarHBondContact O-N 3.22Å; A542-I547 HydrophobicContact CB-CB 4.27Å; A542-I547 HydrophobicContact CB-CD1 4.16Å; A542-I547 HydrophobicContact CB-CG2 4.06Å; A542-K548 WeakPolarHBondContact O-CD 3.42Å; A542-K548 WeakPolarHBondContact O-CE 3.49Å; A542-K548 PolarHBondContact O-NZ 2.99Å
543N87.6Confident88.7Confident137 Ų13743.5 Ų43.573%0.73322%0.216SC*.SBendtrans-81.739.1172-162.630.6000112.6G311G311-N543 PolarHBondContact O-N 2.99Å
544H89.1Confident88.8Confident13 Ų1340.7 Ų40.76%0.0621%0.206CC..  trans-124.7121.4178.5-171.1-53.5000109E270 L310 A542 L546 I547 K548E270-H544 IonicContact OE2-CD2 2.75Å; E270-H544 IonicContact OE2-NE2 3.27Å; E270-H544 PolarHBondContact OE2-NE2 3.41Å; L310-H544 WeakPolarHBondContact O-CB 3.41Å; A542-H544 PolarHBondContact O-N 3.22Å; H544-L546 PolarHBondContact ND1-N 2.82Å; H544-L546 PolarHBondContact O-N 2.86Å; H544-I547 HydrophobicContact CB-CB 4.25Å; H544-I547 HydrophobicContact CB-CD1 3.68Å; H544-I547 HydrophobicContact CB-CG1 3.9Å; H544-I547 PolarHBondContact O-N 3.13Å; H544-K548 PolarHBondContact O-N 3.11Å
545S88.3Confident88.8Confident81 Ų8141.5 Ų41.557%0.56621%0.211SC*.Hα-helixtrans-58.2-47.7-172.856.10000112.4K548 Q549S545-K548 PolarHBondContact O-N 3.32Å; S545-Q549 PolarHBondContact O-N 3.09Å
546L92.2Very high88.3Confident5 Ų545.3 Ų45.33%0.02624%0.235CC..Hα-helixtrans-63.1-46.8-179.9-172.352.7000112.7V268 L271 L357 W360 H544 K548 Q549 L550V268-L546 HydrophobicContact CG2-CD2 4.17Å; L271-L546 HydrophobicContact CD1-CB 4.27Å; L271-L546 HydrophobicContact CD1-CD2 3.59Å; L271-L546 HydrophobicContact CD1-CG 3.7Å; L271-L546 HydrophobicContact CG-CD2 4.32Å; L357-L546 HydrophobicContact CD1-CD2 4.02Å; W360-L546 HydrophobicContact CD2-CD1 3.45Å; W360-L546 VanDerWaalsContact CD2-CD1 3.45Å; W360-L546 HydrophobicContact CE3-CD1 3.93Å; W360-L546 HydrophobicContact CE3-CD2 4.47Å; W360-L546 HydrophobicContact CG-CD1 3.85Å; W360-L546 HydrophobicContact CH2-CD1 4.12Å; W360-L546 HydrophobicContact CZ2-CD1 3.65Å; W360-L546 HydrophobicContact CZ3-CD1 4.23Å; W360-L546 HydrophobicContact CZ3-CD2 4.36Å; H544-L546 PolarHBondContact ND1-N 2.82Å; H544-L546 PolarHBondContact O-N 2.86Å; L546-K548 VanDerWaalsContact C-N 3.31Å; L546-K548 PolarHBondContact O-N 3.19Å; L546-Q549 WeakPolarHBondContact O-CA 3.29Å; L546-Q549 WeakPolarHBondContact O-CB 3.1Å; L546-Q549 PolarHBondContact O-N 3.25Å; L546-L550 HydrophobicContact CD1-CD2 4.45Å; L546-L550 HydrophobicContact CD1-CG 4.46Å; L546-L550 HydrophobicContact CG-CD1 4.45Å; L546-L550 HydrophobicContact CG-CG 4.48Å; L546-L550 WeakPolarHBondContact O-CG 3.49Å; L546-L550 PolarHBondContact O-N 3.43Å
547I90.6Very high87.8Confident0 Ų049.3 Ų49.30%027%0.269CS..Hα-helixtrans-57.9-44179.5-58.9178.1000111.5L271 L310 M539 A542 H544 Q549 L550 F551L271-I547 HydrophobicContact CD1-CG1 4.25Å; L271-I547 HydrophobicContact CD2-CD1 3.63Å; L271-I547 HydrophobicContact CD2-CG1 3.36Å; L271-I547 HydrophobicContact CG-CG1 4.43Å; L310-I547 HydrophobicContact CB-CD1 3.66Å; L310-I547 HydrophobicContact CD1-CD1 4.18Å; L310-I547 HydrophobicContact CD2-CD1 3.27Å; L310-I547 HydrophobicContact CD2-CG1 4.44Å; L310-I547 HydrophobicContact CG-CD1 3.85Å; M539-I547 HydrophobicContact CB-CG2 3.73Å; M539-I547 HydrophobicContact CG-CG2 4.43Å; M539-I547 WeakPolarHBondContact O-CG2 3.29Å; M539-I547 HydrophobicContact SD-CG2 4.22Å; A542-I547 HydrophobicContact CB-CB 4.27Å; A542-I547 HydrophobicContact CB-CD1 4.16Å; A542-I547 HydrophobicContact CB-CG2 4.06Å; H544-I547 HydrophobicContact CB-CB 4.25Å; H544-I547 HydrophobicContact CB-CD1 3.68Å; H544-I547 HydrophobicContact CB-CG1 3.9Å; H544-I547 PolarHBondContact O-N 3.13Å; I547-Q549 PolarHBondContact O-N 3.19Å; I547-L550 PolarHBondContact O-N 3.3Å; I547-F551 HydrophobicContact CG2-CD2 3.98Å; I547-F551 HydrophobicContact CG2-CE2 4.31Å; I547-F551 WeakPolarHBondContact O-CD2 3.13Å; I547-F551 PolarHBondContact O-N 3.42Å
548K90Very high86.9Confident76 Ų7654.4 Ų54.433%0.3329%0.29SS..Hα-helixtrans-56.7-40176.4-83.8173.6165.8147.70112.4Y540 A542 H544 S545 L546Y540-K548 WeakPolarHBondContact O-CE 3.08Å; Y540-K548 VanDerWaalsContact O-CG 3.24Å; Y540-K548 WeakPolarHBondContact O-CG 3.29Å; A542-K548 WeakPolarHBondContact O-CD 3.42Å; A542-K548 WeakPolarHBondContact O-CE 3.49Å; A542-K548 PolarHBondContact O-NZ 2.99Å; H544-K548 PolarHBondContact O-N 3.11Å; S545-K548 PolarHBondContact O-N 3.32Å; L546-K548 VanDerWaalsContact C-N 3.31Å; L546-K548 PolarHBondContact O-N 3.19Å
549Q90.9Very high85.6Confident118 Ų11858.5 Ų58.555%0.55132%0.315SS*.Hα-helixtrans-69-35.4175.5-65.6178.4400112.4S545 L546 I547 P552S545-Q549 PolarHBondContact O-N 3.09Å; L546-Q549 WeakPolarHBondContact O-CA 3.29Å; L546-Q549 WeakPolarHBondContact O-CB 3.1Å; L546-Q549 PolarHBondContact O-N 3.25Å; I547-Q549 PolarHBondContact O-N 3.19Å; Q549-P552 WeakPolarHBondContact O-CD 3.42Å
550L91.3Very high84.1Confident12 Ų1263.3 Ų63.36%0.06334%0.34CS..Hα-helixtrans-70.6-28.6178.8-62.5-175.8000112.8L271 L353 R356 L357 W360 L546 I547 P552L271-L550 HydrophobicContact CD1-CD1 3.57Å; L353-L550 HydrophobicContact CD1-CD1 4.03Å; R356-L550 HydrophobicContact CB-CB 4.26Å; R356-L550 HydrophobicContact CB-CD2 4.13Å; R356-L550 WeakPolarHBondContact CD-O 3.33Å; R356-L550 PolarHBondContact NH1-O 2.75Å; L357-L550 HydrophobicContact CB-CD1 4.23Å; W360-L550 HydrophobicContact CB-CD2 3.56Å; W360-L550 HydrophobicContact CG-CD2 4.02Å; L546-L550 HydrophobicContact CD1-CD2 4.45Å; L546-L550 HydrophobicContact CD1-CG 4.46Å; L546-L550 HydrophobicContact CG-CD1 4.45Å; L546-L550 HydrophobicContact CG-CG 4.48Å; L546-L550 WeakPolarHBondContact O-CG 3.49Å; L546-L550 PolarHBondContact O-N 3.43Å; I547-L550 PolarHBondContact O-N 3.3Å; L550-P552 VanDerWaalsContact O-CD 3.23Å; L550-P552 WeakPolarHBondContact O-CD 3.4Å
551F89.9Confident82.6Confident0 Ų066.9 Ų66.90%036%0.363CS..  trans-117.958.7-177.1-63.8-94.6000114.1L349 L353 L531 M539 Y540 I547 E553 G554L349-F551 HydrophobicContact CD1-CE1 4.39Å; L349-F551 HydrophobicContact CD1-CZ 4.19Å; L353-F551 HydrophobicContact CB-CZ 4.29Å; L353-F551 HydrophobicContact CD1-CE2 3.73Å; L353-F551 HydrophobicContact CD1-CZ 4.18Å; L531-F551 HydrophobicContact CD2-CD1 4.23Å; L531-F551 HydrophobicContact CD2-CE1 3.84Å; M539-F551 HydrophobicContact CB-CB 4.13Å; M539-F551 HydrophobicContact CB-CD1 4.13Å; M539-F551 HydrophobicContact CB-CD2 3.57Å; M539-F551 HydrophobicContact CB-CE1 4.46Å; M539-F551 HydrophobicContact CB-CE2 3.96Å; M539-F551 HydrophobicContact CB-CG 3.68Å; M539-F551 HydrophobicContact CB-CZ 4.39Å; M539-F551 HydrophobicContact CG-CD1 4.42Å; M539-F551 HydrophobicContact CG-CD2 4.12Å; M539-F551 HydrophobicContact CG-CE1 4.28Å; M539-F551 HydrophobicContact CG-CE2 3.99Å; M539-F551 HydrophobicContact CG-CG 4.35Å; M539-F551 HydrophobicContact CG-CZ 4.06Å; Y540-F551 WeakPolarHBondContact CD2-O 3.29Å; I547-F551 HydrophobicContact CG2-CD2 3.98Å; I547-F551 HydrophobicContact CG2-CE2 4.31Å; I547-F551 WeakPolarHBondContact O-CD2 3.13Å; I547-F551 PolarHBondContact O-N 3.42Å; F551-E553 PolarHBondContact O-N 3.03Å; F551-G554 PolarHBondContact O-N 2.87Å
552P87.6Confident81.4Confident71 Ų7168.6 Ų68.646%0.46137%0.371SS..G310 helixtrans-65.1-24.7-176.929.4-36.1000113.4Q549 L550 G554 N555Q549-P552 WeakPolarHBondContact O-CD 3.42Å; L550-P552 VanDerWaalsContact O-CD 3.23Å; L550-P552 WeakPolarHBondContact O-CD 3.4Å; P552-G554 PolarHBondContact O-N 3.48Å; P552-N555 VanDerWaalsContact O-CB 3.29Å; P552-N555 WeakPolarHBondContact O-CB 3.03Å; P552-N555 PolarHBondContact O-N 3.11Å
553E84Confident80.1Confident57 Ų5777.4 Ų77.427%0.26640%0.404SS..G310 helixtrans-73.9-14.5176.379.4-72.8179.800113.4R356 S536 F551 N555R356-E553 IonicContact CZ-OE1 2.71Å; R356-E553 IonicContact CZ-OE2 3.62Å; R356-E553 IonicContact NH1-OE1 3.41Å; R356-E553 PolarHBondContact NH1-OE1 3.49Å; R356-E553 IonicContact NH1-OE2 3.58Å; R356-E553 PolarHBondContact NH1-OE2 3.46Å; R356-E553 IonicContact NH2-OE1 3.19Å; R356-E553 PolarHBondContact NH2-OE1 2.95Å; R356-E553 IonicContact NH2-OE2 2.69Å; S536-E553 WeakPolarHBondContact CB-OE1 3.41Å; S536-E553 PolarHBondContact OG-OE1 3.3Å; F551-E553 PolarHBondContact O-N 3.03Å; E553-N555 PolarHBondContact O-N 2.98Å
554G83.9Confident79Confident1 Ų172.8 Ų72.81%0.0138%0.381CS..G310 helixtrans-72.2-8.5170.800000113.2S536 Q537 F551 P552 P556S536-G554 WeakPolarHBondContact O-CA 3.36Å; Q537-G554 WeakPolarHBondContact CG-O 3.3Å; F551-G554 PolarHBondContact O-N 2.87Å; P552-G554 PolarHBondContact O-N 3.48Å; G554-P556 WeakPolarHBondContact O-CD 3.46Å
555N85.6Confident78.2Confident40 Ų4074.9 Ų74.921%0.21440%0.396CS..  trans-67.5116.3177.3-174.2-10000110.9Y540 P552 E553 A557 K558Y540-N555 HydrophobicContact CD1-CB 4.26Å; Y540-N555 HydrophobicContact CD2-CB 4.5Å; Y540-N555 HydrophobicContact CE1-CB 3.75Å; Y540-N555 HydrophobicContact CE2-CB 4Å; Y540-N555 PolarHBondContact OH-ND2 2.93Å; P552-N555 VanDerWaalsContact O-CB 3.29Å; P552-N555 WeakPolarHBondContact O-CB 3.03Å; P552-N555 PolarHBondContact O-N 3.11Å; E553-N555 PolarHBondContact O-N 2.98Å; N555-A557 PolarHBondContact O-N 3.38Å; N555-A557 WeakPolarHBondContact OD1-CB 3.39Å; N555-A557 PolarHBondContact OD1-N 2.86Å; N555-K558 PolarHBondContact O-N 3.39Å
556P78.8Confident77.8Confident79 Ų7971.4 Ų71.451%0.51337%0.371SS..THydrogen-bonded Turntrans-58.7-21178.3-24.135.6000114.3G554 V559G554-P556 WeakPolarHBondContact O-CD 3.46Å; P556-V559 WeakPolarHBondContact O-CG2 3.22Å
557A79Confident77.3Confident89 Ų8971.5 Ų71.574%0.73637%0.373SS*.THydrogen-bonded Turntrans-77.7-19176.700000114N555N555-A557 PolarHBondContact O-N 3.38Å; N555-A557 WeakPolarHBondContact OD1-CB 3.39Å; N555-A557 PolarHBondContact OD1-N 2.86Å
558K68.4Low77Confident154 Ų15471.5 Ų71.567%0.6737%0.373SS*.SBendtrans-112.474.3175.4-73.6-172.4177.4-179.70109.4N555 N560N555-K558 PolarHBondContact O-N 3.39Å; K558-N560 PolarHBondContact O-N 3.01Å
559V61Low76.8Confident88 Ų8873.1 Ų73.153%0.53338%0.38SS..  trans-68.7103.9-178.6-174.20000110.1P556 L561P556-V559 WeakPolarHBondContact O-CG2 3.22Å; V559-L561 HydrophobicContact CG1-CD2 4.08Å; V559-L561 HydrophobicContact CG1-CG 4.3Å
560N59.7Low76.4Confident102 Ų10270 Ų7055%0.54537%0.366SS..  trans-91.2110.9171.9-158.5-4.9000109.3K558 K562K558-N560 PolarHBondContact O-N 3.01Å; N560-K562 VanDerWaalsContact C-N 3.31Å
561L58.7Low76.1Confident142 Ų14271 Ų7174%0.74337%0.37SS*.  trans-83.8-4.7-179.5-66.9169000113.1V559V559-L561 HydrophobicContact CG1-CD2 4.08Å; V559-L561 HydrophobicContact CG1-CG 4.3Å
562K63.2Low76.1Confident176 Ų17672.9 Ų72.977%0.76538%0.378SS*.SBendtrans-74.5136.5178.7-73.2-174.6175.3-177.70110.5N560N560-K562 VanDerWaalsContact C-N 3.31Å
563R62.5Low76.1Confident185 Ų18571.9 Ų71.970%0.69838%0.376SS*.PPolyproline II helixtrans-62.7145.3171.5-69.3-177.8-179.4-177.10.6109.7
564P64.4Low76.3Confident39 Ų3970.5 Ų70.525%0.25337%0.372SS..PPolyproline II helixtrans-60.7134.4175.224.4-31.7000109.7L530L530-P564 HydrophobicContact CD2-CG 3.96Å
565P72Confident76.4Confident58 Ų5870.5 Ų70.538%0.37737%0.372SS..PPolyproline II helixtrans-71.1145.1-179.727.7-32.1000111.2F569 Q570P565-F569 HydrophobicContact CB-CB 4.44Å; P565-F569 HydrophobicContact CB-CD1 3.66Å; P565-F569 HydrophobicContact CB-CE1 4.39Å; P565-F569 HydrophobicContact CB-CG 4.38Å; P565-Q570 HydrophobicContact CB-CG 4Å; P565-Q570 HydrophobicContact CG-CG 3.75Å; P565-Q570 PolarHBondContact O-NE2 3.15Å
566T81Confident76.6Confident7 Ų770.5 Ų70.54%0.04338%0.381CS..PPolyproline II helixtrans-64162.7171.753.30000111.6D458 C461 G568 F569 Q570D458-T566 HydrophobicContact CB-CG2 4.46Å; D458-T566 WeakPolarHBondContact OD1-CB 3.07Å; D458-T566 PolarHBondContact OD1-OG1 3.22Å; D458-T566 PolarHBondContact OD2-OG1 2.93Å; C461-T566 HydrophobicContact CB-CG2 4.47Å; T566-G568 VanDerWaalsContact C-N 3.35Å; T566-G568 PolarHBondContact O-N 2.95Å; T566-F569 PolarHBondContact O-N 2.97Å; T566-F569 WeakPolarHBondContact OG1-CB 3.31Å; T566-F569 PolarHBondContact OG1-N 3.08Å; T566-Q570 WeakPolarHBondContact O-CG 3.36Å; T566-Q570 PolarHBondContact O-N 2.86Å; T566-Q570 VanDerWaalsContact O-N 3.12Å
567A81.2Confident77Confident8 Ų870.7 Ų70.77%0.06638%0.381CS..Hα-helixtrans-60.7-44.8179.400000111.6F396 N527 D529 F569 Q570 F571F396-A567 HydrophobicContact CE1-CB 4.33Å; F396-A567 HydrophobicContact CZ-CB 4.45Å; N527-A567 PolarHBondContact O-N 3.24Å; N527-A567 PolarHBondContact OD1-N 3.26Å; D529-A567 HydrophobicContact CB-CB 4.11Å; A567-F569 PolarHBondContact O-N 3.49Å; A567-Q570 PolarHBondContact O-N 3.47Å; A567-F571 HydrophobicContact CB-CD2 4.34Å; A567-F571 HydrophobicContact CB-CE2 4.17Å; A567-F571 WeakPolarHBondContact O-CD2 3.4Å; A567-F571 PolarHBondContact O-N 2.92Å
568G84.2Confident77.4Confident0 Ų066.6 Ų66.60%035%0.347CS..Hα-helixtrans-57.3-45.3178.400000112.7N527 T566 F571 K572N527-G568 WeakPolarHBondContact OD1-CA 3.22Å; N527-G568 PolarHBondContact OD1-N 2.81Å; T566-G568 VanDerWaalsContact C-N 3.35Å; T566-G568 PolarHBondContact O-N 2.95Å; G568-F571 PolarHBondContact O-N 3.24Å; G568-K572 WeakPolarHBondContact O-CB 2.99Å; G568-K572 PolarHBondContact O-N 2.88Å
569F85.3Confident78.4Confident109 Ų10959.7 Ų59.748%0.47832%0.317SS..Hα-helixtrans-62.2-44.6174.9-175.3-90000112.4P565 T566 A567 F571 K572 A573P565-F569 HydrophobicContact CB-CB 4.44Å; P565-F569 HydrophobicContact CB-CD1 3.66Å; P565-F569 HydrophobicContact CB-CE1 4.39Å; P565-F569 HydrophobicContact CB-CG 4.38Å; T566-F569 PolarHBondContact O-N 2.97Å; T566-F569 WeakPolarHBondContact OG1-CB 3.31Å; T566-F569 PolarHBondContact OG1-N 3.08Å; A567-F569 PolarHBondContact O-N 3.49Å; F569-F571 VanDerWaalsContact C-N 3.35Å; F569-F571 PolarHBondContact O-N 3.14Å; F569-K572 PolarHBondContact O-N 3.06Å; F569-A573 WeakPolarHBondContact O-CB 3.49Å; F569-A573 PolarHBondContact O-N 2.61Å
570Q83.6Confident79.7Confident53 Ų5359.2 Ų59.225%0.24832%0.318CS..Hα-helixtrans-61.6-43.5177.6-67.7176.534.500111.5D529 P565 T566 A567 A573 S574D529-Q570 PolarHBondContact OD2-NE2 2.91Å; P565-Q570 HydrophobicContact CB-CG 4Å; P565-Q570 HydrophobicContact CG-CG 3.75Å; P565-Q570 PolarHBondContact O-NE2 3.15Å; T566-Q570 WeakPolarHBondContact O-CG 3.36Å; T566-Q570 PolarHBondContact O-N 2.86Å; T566-Q570 VanDerWaalsContact O-N 3.12Å; A567-Q570 PolarHBondContact O-N 3.47Å; Q570-A573 PolarHBondContact O-N 2.71Å; Q570-S574 WeakPolarHBondContact O-CB 3.3Å; Q570-S574 PolarHBondContact O-N 2.88Å
571F85.1Confident81Confident33 Ų3356.1 Ų56.115%0.14530%0.301CS..Hα-helixtrans-63.7-47.4176.4-75.3-59.1000111.5L186 F396 I400 A567 G568 F569 A573 S574 V575L186-F571 HydrophobicContact CB-CD1 4.31Å; L186-F571 HydrophobicContact CB-CE1 4.3Å; L186-F571 HydrophobicContact CD2-CB 4.48Å; L186-F571 HydrophobicContact CD2-CD1 3.63Å; L186-F571 HydrophobicContact CD2-CE1 4.43Å; F396-F571 HydrophobicContact CE1-CD2 4.37Å; F396-F571 HydrophobicContact CE1-CE2 4.18Å; F396-F571 HydrophobicContact CZ-CD2 4.46Å; I400-F571 HydrophobicContact CD1-CB 4.16Å; I400-F571 HydrophobicContact CD1-CD2 4.24Å; I400-F571 HydrophobicContact CD1-CG 4.45Å; I400-F571 HydrophobicContact CG1-CD2 4.05Å; I400-F571 HydrophobicContact CG1-CG 4.41Å; I400-F571 HydrophobicContact CG2-CB 3.9Å; I400-F571 HydrophobicContact CG2-CD1 3.88Å; I400-F571 HydrophobicContact CG2-CD2 4.14Å; I400-F571 HydrophobicContact CG2-CE1 4.43Å; I400-F571 HydrophobicContact CG2-CG 3.73Å; A567-F571 HydrophobicContact CB-CD2 4.34Å; A567-F571 HydrophobicContact CB-CE2 4.17Å; A567-F571 WeakPolarHBondContact O-CD2 3.4Å; A567-F571 PolarHBondContact O-N 2.92Å; G568-F571 PolarHBondContact O-N 3.24Å; F569-F571 VanDerWaalsContact C-N 3.35Å; F569-F571 PolarHBondContact O-N 3.14Å; F571-A573 VanDerWaalsContact C-N 3.34Å; F571-A573 PolarHBondContact O-N 3.13Å; F571-S574 WeakPolarHBondContact O-CB 3.32Å; F571-S574 PolarHBondContact O-N 3.44Å; F571-S574 VanDerWaalsContact O-N 3.12Å; F571-V575 WeakPolarHBondContact O-CG2 3.45Å; F571-V575 PolarHBondContact O-N 2.77Å
572K89.1Confident82.3Confident40 Ų4049.5 Ų49.517%0.17427%0.267CS..Hα-helixtrans-55.8-46.5175.6-178.2-177.9179.1176.60112.4E447 N449 L454 G568 F569 S574 V575 G576E447-K572 VanDerWaalsContact O-CE 3.29Å; E447-K572 WeakPolarHBondContact O-CE 3.49Å; E447-K572 PolarHBondContact O-NZ 3.4Å; N449-K572 PolarHBondContact OD1-NZ 2.76Å; L454-K572 HydrophobicContact CD1-CB 4.31Å; G568-K572 WeakPolarHBondContact O-CB 2.99Å; G568-K572 PolarHBondContact O-N 2.88Å; F569-K572 PolarHBondContact O-N 3.06Å; K572-S574 VanDerWaalsContact C-N 3.34Å; K572-S574 PolarHBondContact O-N 2.97Å; K572-V575 PolarHBondContact O-N 3.49Å; K572-G576 PolarHBondContact O-N 3.18Å
573A88.4Confident83.4Confident50 Ų5046.4 Ų46.441%0.41326%0.255SS..Hα-helixtrans-64.5-38176.800000112.5F569 Q570 F571 G576 T577F569-A573 WeakPolarHBondContact O-CB 3.49Å; F569-A573 PolarHBondContact O-N 2.61Å; Q570-A573 PolarHBondContact O-N 2.71Å; F571-A573 VanDerWaalsContact C-N 3.34Å; F571-A573 PolarHBondContact O-N 3.13Å; A573-G576 PolarHBondContact O-N 3.33Å; A573-T577 PolarHBondContact O-N 2.96Å; A573-T577 PolarHBondContact O-OG1 2.89Å
574S86.4Confident84.6Confident28 Ų2841.4 Ų41.420%0.19625%0.248CC..Hα-helixtrans-66.6-45.3176.6-172.40000111.7Q570 F571 K572 T577 L578Q570-S574 WeakPolarHBondContact O-CB 3.3Å; Q570-S574 PolarHBondContact O-N 2.88Å; F571-S574 WeakPolarHBondContact O-CB 3.32Å; F571-S574 PolarHBondContact O-N 3.44Å; F571-S574 VanDerWaalsContact O-N 3.12Å; K572-S574 VanDerWaalsContact C-N 3.34Å; K572-S574 PolarHBondContact O-N 2.97Å; S574-T577 PolarHBondContact O-N 3.25Å; S574-L578 PolarHBondContact O-N 3.35Å
575V87.4Confident85.8Confident0 Ų040.7 Ų40.70%024%0.241CC..Hα-helixtrans-60.2-46.2172.9174.40000110.4L186 Y403 C404 K407 F571 K572 T577 L578 M579L186-V575 HydrophobicContact CD1-CG2 4Å; L186-V575 HydrophobicContact CD2-CG2 3.78Å; Y403-V575 HydrophobicContact CD1-CG2 4.4Å; Y403-V575 HydrophobicContact CE1-CB 4.14Å; Y403-V575 HydrophobicContact CE1-CG1 4.12Å; Y403-V575 HydrophobicContact CE1-CG2 4.02Å; C404-V575 HydrophobicContact CB-CG2 4.07Å; K407-V575 HydrophobicContact CB-CG1 4.17Å; K407-V575 HydrophobicContact CG-CG1 3.99Å; F571-V575 WeakPolarHBondContact O-CG2 3.45Å; F571-V575 PolarHBondContact O-N 2.77Å; K572-V575 PolarHBondContact O-N 3.49Å; V575-T577 VanDerWaalsContact C-N 3.3Å; V575-T577 PolarHBondContact O-N 3.45Å; V575-L578 WeakPolarHBondContact O-CB 3.44Å; V575-L578 PolarHBondContact O-N 3.48Å; V575-M579 HydrophobicContact CG1-CE 3.73Å; V575-M579 HydrophobicContact CG1-CG 4.18Å; V575-M579 VanDerWaalsContact O-CG 3.29Å; V575-M579 WeakPolarHBondContact O-CG 3.48Å; V575-M579 PolarHBondContact O-N 2.93Å
576G88.8Confident86.6Confident40 Ų4040.6 Ų40.641%0.41224%0.238SC..Hα-helixtrans-58-41.4177.100000113.2K572 A573 M579 S580K572-G576 PolarHBondContact O-N 3.18Å; A573-G576 PolarHBondContact O-N 3.33Å; G576-M579 PolarHBondContact O-N 3.32Å; G576-S580 PolarHBondContact O-N 3.45Å
577T88.8Confident87.1Confident83 Ų8341.3 Ų41.351%0.50924%0.243SC..Hα-helixtrans-65.7-43176.5-56.90000111.4A573 S574 V575 S580 N581A573-T577 PolarHBondContact O-N 2.96Å; A573-T577 PolarHBondContact O-OG1 2.89Å; S574-T577 PolarHBondContact O-N 3.25Å; V575-T577 VanDerWaalsContact C-N 3.3Å; V575-T577 PolarHBondContact O-N 3.45Å; T577-S580 PolarHBondContact O-N 3.22Å; T577-N581 WeakPolarHBondContact O-CB 3.13Å; T577-N581 PolarHBondContact O-N 3.46Å; T577-N581 VanDerWaalsContact O-N 3.09Å
578L86.8Confident87.6Confident3 Ų341.5 Ų41.52%0.01624%0.242CC..Hα-helixtrans-60.8-45.8175.6179.964.1000111.6Y185 L383 I385 S574 V575 N581 L582Y185-L578 HydrophobicContact CD1-CB 4.25Å; Y185-L578 HydrophobicContact CD2-CD1 3.99Å; Y185-L578 HydrophobicContact CE1-CB 4.27Å; Y185-L578 HydrophobicContact CE1-CD1 4.41Å; Y185-L578 HydrophobicContact CE2-CD1 3.84Å; Y185-L578 HydrophobicContact CG-CD1 4.32Å; L383-L578 HydrophobicContact CD1-CD1 3.98Å; L383-L578 HydrophobicContact CD2-CD1 3.71Å; L383-L578 HydrophobicContact CD2-CD2 4.44Å; L383-L578 HydrophobicContact CD2-CG 4.33Å; I385-L578 HydrophobicContact CD1-CD2 4.02Å; S574-L578 PolarHBondContact O-N 3.35Å; V575-L578 WeakPolarHBondContact O-CB 3.44Å; V575-L578 PolarHBondContact O-N 3.48Å; L578-N581 PolarHBondContact O-N 3.43Å; L578-L582 WeakPolarHBondContact O-CB 3.49Å; L578-L582 PolarHBondContact O-N 2.97Å
579M88.1Confident88Confident9 Ų942 Ų424%0.04424%0.244CC..Hα-helixtrans-64.4-42.8179.9-66.2-42.6134.300112K407 L408 I411 V575 G576 N581 L582 Q583K407-M579 HydrophobicContact CB-CE 3.97Å; K407-M579 HydrophobicContact CB-CG 4.24Å; K407-M579 HydrophobicContact CB-SD 4.1Å; L408-M579 HydrophobicContact CD2-CE 3.59Å; L408-M579 HydrophobicContact CD2-SD 3.83Å; L408-M579 HydrophobicContact CG-CE 3.69Å; L408-M579 HydrophobicContact CG-SD 4.32Å; I411-M579 HydrophobicContact CD1-CB 3.68Å; I411-M579 HydrophobicContact CD1-CG 3.72Å; I411-M579 HydrophobicContact CD1-SD 3.44Å; I411-M579 WeakPolarHBondContact CD1-SD 3.49Å; V575-M579 HydrophobicContact CG1-CE 3.73Å; V575-M579 HydrophobicContact CG1-CG 4.18Å; V575-M579 VanDerWaalsContact O-CG 3.29Å; V575-M579 WeakPolarHBondContact O-CG 3.48Å; V575-M579 PolarHBondContact O-N 2.93Å; G576-M579 PolarHBondContact O-N 3.32Å; M579-N581 VanDerWaalsContact C-N 3.34Å; M579-N581 PolarHBondContact O-N 3.03Å; M579-L582 PolarHBondContact O-N 2.79Å; M579-Q583 WeakPolarHBondContact O-CB 3.45Å; M579-Q583 VanDerWaalsContact O-CG 3.32Å; M579-Q583 WeakPolarHBondContact O-CG 3.32Å; M579-Q583 PolarHBondContact O-N 3.06Å
580S88.9Confident88.5Confident79 Ų7936.8 Ų36.855%0.55222%0.221SC*.Hα-helixtrans-60.8-42.9175.9-178.50000111.9G576 T577 L582 Q583 S584G576-S580 PolarHBondContact O-N 3.45Å; T577-S580 PolarHBondContact O-N 3.22Å; S580-L582 PolarHBondContact O-N 3.02Å; S580-Q583 PolarHBondContact O-N 2.8Å; S580-S584 PolarHBondContact O-N 2.96Å
581N86.6Confident89.1Confident36 Ų3634.5 Ų34.519%0.19321%0.21CC..Hα-helixtrans-64.5-38.1176-169.74.3000112.4Y166 T577 L578 M579 S584 K585Y166-N581 WeakPolarHBondContact CE1-ND2 3.35Å; T577-N581 WeakPolarHBondContact O-CB 3.13Å; T577-N581 PolarHBondContact O-N 3.46Å; T577-N581 VanDerWaalsContact O-N 3.09Å; L578-N581 PolarHBondContact O-N 3.43Å; M579-N581 VanDerWaalsContact C-N 3.34Å; M579-N581 PolarHBondContact O-N 3.03Å; N581-S584 PolarHBondContact O-OG 3.36Å; N581-K585 PolarHBondContact OD1-NZ 3.41Å
582L85.9Confident89.6Confident4 Ų432.9 Ų32.92%0.02120%0.204CC..Hα-helixtrans-70.2-43.5178-176.863.9000112.1C100 L408 L578 M579 S580 S584 K585 P587C100-L582 HydrophobicContact CB-CD1 3.82Å; C100-L582 WeakPolarHBondContact SG-CD1 3.26Å; L408-L582 HydrophobicContact CD2-CD2 3.68Å; L578-L582 WeakPolarHBondContact O-CB 3.49Å; L578-L582 PolarHBondContact O-N 2.97Å; M579-L582 PolarHBondContact O-N 2.79Å; S580-L582 PolarHBondContact O-N 3.02Å; L582-S584 PolarHBondContact O-N 3.24Å; L582-K585 PolarHBondContact O-N 3.04Å; L582-K585 VanDerWaalsContact O-N 3.13Å; L582-P587 HydrophobicContact CD1-CB 4.32Å
583Q86.2Confident89.9Confident110 Ų11031 Ų3151%0.51420%0.195SC..Hα-helixtrans-66-24.5-179.7-74.9177.1-20.100113.3I411 M579 S580 K585I411-Q583 HydrophobicContact CD1-CG 4.04Å; I411-Q583 HydrophobicContact CG2-CG 4.13Å; M579-Q583 WeakPolarHBondContact O-CB 3.45Å; M579-Q583 VanDerWaalsContact O-CG 3.32Å; M579-Q583 WeakPolarHBondContact O-CG 3.32Å; M579-Q583 PolarHBondContact O-N 3.06Å; S580-Q583 PolarHBondContact O-N 2.8Å; Q583-K585 PolarHBondContact O-N 2.83Å
584S88.6Confident90Very high80 Ų8028.9 Ų28.956%0.55918%0.177SC*.THydrogen-bonded Turntrans-77.9-4.9176.287.90000113.4S580 N581 L582S580-S584 PolarHBondContact O-N 2.96Å; N581-S584 PolarHBondContact O-OG 3.36Å; L582-S584 PolarHBondContact O-N 3.24Å
585K89.5Confident90.4Very high24 Ų2427.6 Ų27.610%0.10417%0.167CC..SBendtrans-122.6160.7-175.2-62.4-174.1169.460.10110.8D98 C100 Y166 N581 L582 Q583 P587D98-K585 HydrophobicContact CB-CB 4.32Å; D98-K585 HydrophobicContact CB-CD 4.27Å; D98-K585 HydrophobicContact CB-CG 3.78Å; C100-K585 HydrophobicContact CB-CB 3.94Å; C100-K585 HydrophobicContact CB-CD 4.04Å; Y166-K585 WeakPolarHBondContact OH-CD 3.2Å; Y166-K585 VanDerWaalsContact OH-CE 3.26Å; Y166-K585 WeakPolarHBondContact OH-CE 3.37Å; N581-K585 PolarHBondContact OD1-NZ 3.41Å; L582-K585 PolarHBondContact O-N 3.04Å; L582-K585 VanDerWaalsContact O-N 3.13Å; Q583-K585 PolarHBondContact O-N 2.83Å; K585-P587 WeakPolarHBondContact O-CD 3.43Å
586N88.9Confident90.6Very high57 Ų5727.7 Ų27.731%0.30517%0.168SC..EExtended strand (participates in β ladder)trans-80.8115.1172.2-173.445.5000110.2D98 Q99 C100D98-N586 WeakPolarHBondContact O-CB 3.34Å; D98-N586 PolarHBondContact O-N 2.93Å; Q99-N586 CarbonylContact C-O 3.49Å; Q99-N586 WeakPolarHBondContact CA-O 3.46Å; Q99-N586 PolarHBondContact OE1-ND2 3.22Å; C100-N586 PolarHBondContact N-O 2.81Å
587P90.6Very high90.5Very high22 Ų2229.9 Ų29.914%0.14317%0.171CC..EExtended strand (participates in β ladder)trans-91.4140.2-172.237.2-35.9000112.7C100 L415 L582 K585 Y589C100-P587 CarbonylContact O-C 3.54Å; C100-P587 VanDerWaalsContact O-CA 3.23Å; C100-P587 WeakPolarHBondContact O-CA 3.25Å; L415-P587 HydrophobicContact CD1-CG 3.74Å; L582-P587 HydrophobicContact CD1-CB 4.32Å; K585-P587 WeakPolarHBondContact O-CD 3.43Å; P587-Y589 HydrophobicContact CB-CE1 4.35Å; P587-Y589 HydrophobicContact CB-CE2 3.84Å; P587-Y589 VanDerWaalsContact CB-OH 3.26Å; P587-Y589 WeakPolarHBondContact CB-OH 3.01Å; P587-Y589 HydrophobicContact CG-CE2 3.96Å; P587-Y589 WeakPolarHBondContact CG-OH 3.42Å
588N92.2Very high90.3Very high12 Ų1234.8 Ų34.86%0.06419%0.185CC..EExtended strand (participates in β ladder)trans-125.5150.6170.4-71.8-81.6000108.7L84 Q99 C100 I101 L102L84-N588 HydrophobicContact CD1-CB 4.1Å; L84-N588 HydrophobicContact CD2-CB 4Å; L84-N588 HydrophobicContact CG-CB 4.01Å; Q99-N588 PolarHBondContact OE1-ND2 2.9Å; C100-N588 PolarHBondContact O-N 3.34Å; I101-N588 CarbonylContact C-O 3.57Å; I101-N588 WeakPolarHBondContact CA-O 3.46Å; I101-N588 HydrophobicContact CG1-CB 4Å; L102-N588 PolarHBondContact N-O 3.38Å
589Y92.9Very high90.3Very high9 Ų939.1 Ų39.14%0.03520%0.203CC..EExtended strand (participates in β ladder)trans-127.8131.2-166-57.3-88.6000113.1V48 V49 L84 L102 F412 P587V48-Y589 HydrophobicContact CG2-CD2 4.39Å; V49-Y589 PolarHBondContact N-O 3.45Å; L84-Y589 WeakPolarHBondContact CD1-O 3.36Å; L102-Y589 HydrophobicContact CB-CD1 3.93Å; L102-Y589 HydrophobicContact CB-CE1 4.18Å; L102-Y589 HydrophobicContact CD2-CD1 3.85Å; L102-Y589 HydrophobicContact CD2-CE1 3.74Å; L102-Y589 HydrophobicContact CG-CD1 4.28Å; L102-Y589 WeakPolarHBondContact O-CA 3.35Å; F412-Y589 HydrophobicContact CB-CE1 4.16Å; F412-Y589 AromaticContact CD2-CD1 3.82Å; F412-Y589 HydrophobicContact CD2-CD1 3.82Å; F412-Y589 AromaticContact CD2-CD2 3.72Å; F412-Y589 HydrophobicContact CD2-CD2 3.72Å; F412-Y589 AromaticContact CD2-CE1 3.5Å; F412-Y589 HydrophobicContact CD2-CE1 3.5Å; F412-Y589 VanDerWaalsContact CD2-CE1 3.5Å; F412-Y589 AromaticContact CD2-CE2 3.41Å; F412-Y589 HydrophobicContact CD2-CE2 3.41Å; F412-Y589 VanDerWaalsContact CD2-CE2 3.41Å; F412-Y589 AromaticContact CD2-CG 3.91Å; F412-Y589 HydrophobicContact CD2-CG 3.91Å; F412-Y589 AromaticContact CD2-CZ 3.29Å; F412-Y589 HydrophobicContact CE2-CD1 4.25Å; F412-Y589 AromaticContact CE2-CD2 3.57Å; F412-Y589 HydrophobicContact CE2-CD2 3.57Å; F412-Y589 HydrophobicContact CE2-CE1 4.3Å; F412-Y589 AromaticContact CE2-CE2 3.65Å; F412-Y589 HydrophobicContact CE2-CE2 3.65Å; F412-Y589 AromaticContact CE2-CG 3.89Å; F412-Y589 HydrophobicContact CE2-CG 3.89Å; F412-Y589 HydrophobicContact CG-CE1 4.19Å; P587-Y589 HydrophobicContact CB-CE1 4.35Å; P587-Y589 HydrophobicContact CB-CE2 3.84Å; P587-Y589 VanDerWaalsContact CB-OH 3.26Å; P587-Y589 WeakPolarHBondContact CB-OH 3.01Å; P587-Y589 HydrophobicContact CG-CE2 3.96Å; P587-Y589 WeakPolarHBondContact CG-OH 3.42Å
590I96Very high90.3Very high0 Ų040.2 Ų40.20%021%0.214CC..EExtended strand (participates in β ladder)trans-120.4123.2171.6-53.3178000108.6V49 I81 L84 I101 L102 I103 T104 A114 V118V49-I590 CarbonylContact O-C 3.56Å; V49-I590 WeakPolarHBondContact O-CA 3.42Å; I81-I590 HydrophobicContact CD1-CD1 3.8Å; I81-I590 HydrophobicContact CG1-CD1 3.85Å; L84-I590 HydrophobicContact CD1-CG1 3.94Å; L84-I590 HydrophobicContact CD2-CD1 4.23Å; L84-I590 HydrophobicContact CD2-CG1 4.3Å; I101-I590 HydrophobicContact CG2-CD1 3.69Å; I101-I590 HydrophobicContact CG2-CG1 3.99Å; L102-I590 PolarHBondContact O-N 2.91Å; I103-I590 WeakPolarHBondContact CA-O 3.42Å; I103-I590 HydrophobicContact CD1-CD1 4.35Å; I103-I590 HydrophobicContact CG1-CB 4.22Å; I103-I590 HydrophobicContact CG1-CD1 4.24Å; I103-I590 HydrophobicContact CG2-CB 4.39Å; I103-I590 HydrophobicContact CG2-CG2 4.47Å; T104-I590 PolarHBondContact N-O 3.44Å; A114-I590 HydrophobicContact CB-CG2 4.31Å; V118-I590 HydrophobicContact CG2-CD1 3.86Å
591R95.6Very high90.4Very high5 Ų539 Ų392%0.01921%0.205CC..EExtended strand (participates in β ladder)trans-110.1103.9-179.5-56.1-58-169.2157.28.2108.4V48 V49 I50 S51 T104 Q409 L616 L618V48-R591 HydrophobicContact CG1-CG 3.68Å; V49-R591 PolarHBondContact O-N 2.85Å; I50-R591 CarbonylContact C-O 3.58Å; I50-R591 WeakPolarHBondContact CA-O 3.14Å; S51-R591 PolarHBondContact N-O 3.32Å; T104-R591 WeakPolarHBondContact OG1-CD 3.29Å; T104-R591 PolarHBondContact OG1-NH1 3.13Å; Q409-R591 VanDerWaalsContact OE1-NH2 3.15Å; R591-L616 HydrophobicContact CB-CD1 4.25Å; R591-L618 HydrophobicContact CB-CD2 3.95Å; R591-L618 HydrophobicContact CG-CD2 3.8Å
592C95.5Very high90.6Very high0 Ų041.7 Ų41.70%022%0.217CC..EExtended strand (participates in β ladder)trans-89.4133.9-176.7-710000111.5S51 T104 G105 A109 K111S51-C592 CarbonylContact O-C 3.55Å; S51-C592 WeakPolarHBondContact O-CA 3.21Å; T104-C592 PolarHBondContact O-N 2.89Å; G105-C592 WeakPolarHBondContact CA-O 3.36Å; A109-C592 HydrophobicContact CB-CB 3.8Å; K111-C592 HydrophobicContact CG-CB 3.98Å
593I95Very high91.1Very high0 Ų044.6 Ų44.60%023%0.234CC..EExtended strand (participates in β ladder)trans-125.9135-178.9-60.9179.3000110.6L32 I50 S51 L52 N53 V609 Q612 L616 L618L32-I593 HydrophobicContact CD1-CD1 4.17Å; I50-I593 HydrophobicContact CG2-CD1 3.63Å; I50-I593 HydrophobicContact CG2-CG1 4.25Å; S51-I593 PolarHBondContact O-N 3.08Å; L52-I593 WeakPolarHBondContact CA-O 3.31Å; L52-I593 HydrophobicContact CD1-CB 4.36Å; L52-I593 HydrophobicContact CD1-CD1 4.39Å; L52-I593 HydrophobicContact CG-CB 4.18Å; L52-I593 HydrophobicContact CG-CG2 4.36Å; N53-I593 PolarHBondContact N-O 3.29Å; I593-V609 HydrophobicContact CG2-CB 4.45Å; I593-V609 HydrophobicContact CG2-CG1 3.94Å; I593-V609 HydrophobicContact CG2-CG2 4.08Å; I593-Q612 HydrophobicContact CG2-CB 4.4Å; I593-L616 HydrophobicContact CD1-CD1 4.37Å; I593-L616 HydrophobicContact CG1-CD1 3.74Å; I593-L618 HydrophobicContact CD1-CD1 3.86Å
594K92.2Very high91.5Very high6 Ų640.8 Ų40.83%0.02622%0.216CC..  trans-86.6118.8171.2-177.1177.3-169.9-159.50110.3Y55 A109 N596 D597 L608 Q612Y55-K594 WeakPolarHBondContact OH-CE 3.34Å; Y55-K594 WeakPolarHBondContact OH-CG 3.14Å; A109-K594 HydrophobicContact CB-CB 4.28Å; K594-N596 WeakPolarHBondContact CE-O 3.49Å; K594-N596 WeakPolarHBondContact CG-O 3.37Å; K594-D597 WeakPolarHBondContact CE-OD1 3.46Å; K594-D597 IonicContact NZ-OD1 2.86Å; K594-D597 PolarHBondContact NZ-OD1 3.17Å; K594-L608 HydrophobicContact CD-CD2 4.44Å; K594-L608 HydrophobicContact CG-CD2 4.3Å; K594-Q612 PolarHBondContact O-NE2 2.98Å
595P94.6Very high91.8Very high0 Ų040.2 Ų40.20%021%0.207CC..SBendtrans-77.8-22-178.830.7-36.1000113.7F36 N53 Y55 F604 N605F36-P595 HydrophobicContact CE1-CB 4.33Å; F36-P595 HydrophobicContact CE2-CB 4.17Å; F36-P595 HydrophobicContact CE2-CG 4.02Å; F36-P595 HydrophobicContact CZ-CB 3.93Å; F36-P595 HydrophobicContact CZ-CG 3.81Å; N53-P595 WeakPolarHBondContact O-CD 3.49Å; N53-P595 WeakPolarHBondContact O-CG 3.41Å; Y55-P595 HydrophobicContact CD2-CG 4.19Å; Y55-P595 HydrophobicContact CE2-CG 3.96Å; P595-F604 HydrophobicContact CB-CD2 4.23Å; P595-N605 PolarHBondContact O-N 2.79Å
596N91.8Very high92Very high3 Ų340.6 Ų40.62%0.01622%0.217CC..  trans-160.5156.1178.566.788.7000112.5K594 K598 K599 A600 V603K594-N596 WeakPolarHBondContact CE-O 3.49Å; K594-N596 WeakPolarHBondContact CG-O 3.37Å; N596-K598 PolarHBondContact OD1-N 3.35Å; N596-K598 VanDerWaalsContact OD1-N 3.13Å; N596-K599 PolarHBondContact OD1-N 2.83Å; N596-A600 PolarHBondContact ND2-O 3.06Å; N596-A600 PolarHBondContact OD1-N 3.42Å; N596-V603 HydrophobicContact CB-CB 4.12Å; N596-V603 HydrophobicContact CB-CG1 3.78Å; N596-V603 PolarHBondContact ND2-O 2.97Å
597D85.1Confident92.1Very high86 Ų8641.2 Ų41.246%0.4623%0.226SC..THydrogen-bonded Turntrans-78.7-15.5179.8-66.3-50.4000115.7K594 K599K594-D597 WeakPolarHBondContact CE-OD1 3.46Å; K594-D597 IonicContact NZ-OD1 2.86Å; K594-D597 PolarHBondContact NZ-OD1 3.17Å; D597-K599 VanDerWaalsContact C-N 3.28Å; D597-K599 PolarHBondContact O-N 3.05Å
598K85.6Confident92.2Very high185 Ų18541.1 Ų41.180%0.80422%0.224SC*.THydrogen-bonded Turntrans-85.22.1-174.9-60.8-177.8-179.6179.60113.5N596 A600N596-K598 PolarHBondContact OD1-N 3.35Å; N596-K598 VanDerWaalsContact OD1-N 3.13Å; K598-A600 HydrophobicContact CB-CB 4.33Å; K598-A600 PolarHBondContact O-N 3.18Å
599K86.1Confident92.3Very high95 Ų9540.6 Ų40.641%0.41322%0.221SC..  trans53.233-174.3-58.1175.4176.6175.50112.6Y55 D158 N596 D597Y55-K599 HydrophobicContact CD1-CB 4.05Å; Y55-K599 HydrophobicContact CE1-CB 3.87Å; Y55-K599 HydrophobicContact CE1-CG 4Å; D158-K599 IonicContact OD2-NZ 2.68Å; D158-K599 PolarHBondContact OD2-NZ 2.88Å; N596-K599 PolarHBondContact OD1-N 2.83Å; D597-K599 VanDerWaalsContact C-N 3.28Å; D597-K599 PolarHBondContact O-N 3.05Å
600A87.8Confident92.2Very high32 Ų3241 Ų4126%0.26423%0.225SC..  trans-97.5139.1-175.100000111.3Y55 N596 K598 V603Y55-A600 WeakPolarHBondContact CD2-O 3.23Å; N596-A600 PolarHBondContact ND2-O 3.06Å; N596-A600 PolarHBondContact OD1-N 3.42Å; K598-A600 HydrophobicContact CB-CB 4.33Å; K598-A600 PolarHBondContact O-N 3.18Å; A600-V603 HydrophobicContact CB-CB 4.21Å; A600-V603 HydrophobicContact CB-CG2 3.75Å
601S91.4Very high91.9Very high53 Ų5344.4 Ų44.437%0.37124%0.241SC..THydrogen-bonded Turntrans-68.3148.417169.40000111V603S601-V603 PolarHBondContact O-N 3.13Å; S601-V603 VanDerWaalsContact O-N 3.14Å
602H91.4Very high91.7Very high93 Ų9344.3 Ų44.343%0.43124%0.241SC..THydrogen-bonded Turntrans639.1176.2-59.5-66000116.4R56R56-H602 PolarHBondContact NH1-NE2 3.09Å; R56-H602 PolarHBondContact NH2-CE1 3.34Å; R56-H602 VanDerWaalsContact NH2-CE1 3.27Å
603V95.1Very high91.5Very high65 Ų6544.6 Ų44.639%0.39424%0.244SC..  trans-100.5123.5174.2-179.40000109N596 A600 S601N596-V603 HydrophobicContact CB-CB 4.12Å; N596-V603 HydrophobicContact CB-CG1 3.78Å; N596-V603 PolarHBondContact ND2-O 2.97Å; A600-V603 HydrophobicContact CB-CB 4.21Å; A600-V603 HydrophobicContact CB-CG2 3.75Å; S601-V603 PolarHBondContact O-N 3.13Å; S601-V603 VanDerWaalsContact O-N 3.14Å
604F96Very high91.2Very high29 Ų2949.3 Ų49.313%0.12726%0.261CS..  trans-121.7116.2177.7-173.5-81.5000110.1L32 K33 F36 L52 P595 V609L32-F604 HydrophobicContact CB-CE2 4.44Å; L32-F604 HydrophobicContact CB-CZ 4.42Å; K33-F604 HydrophobicContact CB-CD1 4Å; K33-F604 HydrophobicContact CB-CD2 4.44Å; K33-F604 HydrophobicContact CB-CE1 3.78Å; K33-F604 HydrophobicContact CB-CE2 4.23Å; K33-F604 HydrophobicContact CB-CG 4.33Å; K33-F604 HydrophobicContact CB-CZ 3.9Å; K33-F604 HydrophobicContact CD-CD1 3.97Å; K33-F604 HydrophobicContact CD-CE1 4.29Å; K33-F604 HydrophobicContact CG-CD1 3.85Å; K33-F604 HydrophobicContact CG-CE1 4.15Å; K33-F604 HydrophobicContact CG-CG 4.08Å; F36-F604 HydrophobicContact CB-CD2 4.37Å; F36-F604 HydrophobicContact CD1-CB 4.23Å; F36-F604 HydrophobicContact CD1-CD2 4.07Å; F36-F604 HydrophobicContact CE1-CB 4.42Å; F36-F604 HydrophobicContact CG-CD2 4.26Å; L52-F604 HydrophobicContact CD2-CD2 4.29Å; L52-F604 HydrophobicContact CD2-CE2 3.79Å; P595-F604 HydrophobicContact CB-CD2 4.23Å; F604-V609 HydrophobicContact CD2-CG2 4.38Å; F604-V609 HydrophobicContact CE1-CB 4.33Å; F604-V609 HydrophobicContact CE1-CG2 4.27Å; F604-V609 HydrophobicContact CE2-CB 4.37Å; F604-V609 HydrophobicContact CE2-CG1 4.2Å; F604-V609 HydrophobicContact CE2-CG2 3.85Å; F604-V609 HydrophobicContact CZ-CB 3.86Å; F604-V609 HydrophobicContact CZ-CG1 3.77Å; F604-V609 HydrophobicContact CZ-CG2 3.79Å
605N95.6Very high91Very high69 Ų6950.1 Ų50.137%0.36926%0.264SS..  trans-99.3106.4174.2-178.8-12.3000109.6P595 S607 L608 V609P595-N605 PolarHBondContact O-N 2.79Å; N605-S607 VanDerWaalsContact C-N 3.32Å; N605-S607 PolarHBondContact O-N 2.97Å; N605-S607 PolarHBondContact OD1-N 2.97Å; N605-S607 VanDerWaalsContact OD1-N 3.09Å; N605-L608 HydrophobicContact CB-CB 4.07Å; N605-L608 PolarHBondContact O-N 3.31Å; N605-L608 PolarHBondContact OD1-N 3.18Å; N605-V609 WeakPolarHBondContact O-CG2 3.42Å; N605-V609 PolarHBondContact O-N 3.47Å
606G93.1Very high90.8Very high31 Ų3150.4 Ų50.432%0.3227%0.266SS..Hα-helixtrans-59.9-37.3-177.900000114.1V609 C610G606-V609 PolarHBondContact O-N 2.81Å; G606-C610 WeakPolarHBondContact O-CB 3.41Å; G606-C610 PolarHBondContact O-N 3.27Å
607S91.6Very high90.6Very high71 Ų7150.6 Ų50.650%0.49727%0.268SS..Hα-helixtrans-65.8-47.1178.6166.50000111.2N605 V609 C610 H611N605-S607 VanDerWaalsContact C-N 3.32Å; N605-S607 PolarHBondContact O-N 2.97Å; N605-S607 PolarHBondContact OD1-N 2.97Å; N605-S607 VanDerWaalsContact OD1-N 3.09Å; S607-V609 PolarHBondContact O-N 3.12Å; S607-C610 WeakPolarHBondContact O-CB 3.21Å; S607-C610 PolarHBondContact O-N 3.38Å; S607-H611 PolarHBondContact O-CD2 2.85Å; S607-H611 PolarHBondContact O-N 3.21Å
608L90.9Very high90.9Very high20 Ų2046.5 Ų46.511%0.10525%0.246CC..Hα-helixtrans-62.5-42.9178.317769.7000111.9K594 N605 C610 H611 Q612K594-L608 HydrophobicContact CD-CD2 4.44Å; K594-L608 HydrophobicContact CG-CD2 4.3Å; N605-L608 HydrophobicContact CB-CB 4.07Å; N605-L608 PolarHBondContact O-N 3.31Å; N605-L608 PolarHBondContact OD1-N 3.18Å; L608-C610 VanDerWaalsContact C-N 3.34Å; L608-H611 PolarHBondContact O-N 2.69Å; L608-Q612 PolarHBondContact O-N 2.83Å; L608-Q612 VanDerWaalsContact O-N 3.13Å; L608-Q612 PolarHBondContact O-NE2 3.13Å
609V94.3Very high91Very high0 Ų038.7 Ų38.70%021%0.213CC..Hα-helixtrans-68.8-35.2178.8176.40000111.1L29 L32 I593 F604 N605 G606 S607 Q612 A613L29-V609 HydrophobicContact CD2-CB 4.06Å; L29-V609 HydrophobicContact CD2-CG1 3.66Å; L32-V609 HydrophobicContact CD1-CG1 4.15Å; I593-V609 HydrophobicContact CG2-CB 4.45Å; I593-V609 HydrophobicContact CG2-CG1 3.94Å; I593-V609 HydrophobicContact CG2-CG2 4.08Å; F604-V609 HydrophobicContact CD2-CG2 4.38Å; F604-V609 HydrophobicContact CE1-CB 4.33Å; F604-V609 HydrophobicContact CE1-CG2 4.27Å; F604-V609 HydrophobicContact CE2-CB 4.37Å; F604-V609 HydrophobicContact CE2-CG1 4.2Å; F604-V609 HydrophobicContact CE2-CG2 3.85Å; F604-V609 HydrophobicContact CZ-CB 3.86Å; F604-V609 HydrophobicContact CZ-CG1 3.77Å; F604-V609 HydrophobicContact CZ-CG2 3.79Å; N605-V609 WeakPolarHBondContact O-CG2 3.42Å; N605-V609 PolarHBondContact O-N 3.47Å; G606-V609 PolarHBondContact O-N 2.81Å; S607-V609 PolarHBondContact O-N 3.12Å; V609-Q612 PolarHBondContact O-N 2.75Å; V609-A613 WeakPolarHBondContact O-CB 3.22Å; V609-A613 PolarHBondContact O-N 3.24Å
610C92.6Very high90.9Very high17 Ų1736.3 Ų36.312%0.11520%0.203CC..Hα-helixtrans-58.8-49.7172.9-175.70000111.6L29 G606 S607 L608 Q612 A613 R614L29-C610 HydrophobicContact CD1-CB 3.58Å; L29-C610 HydrophobicContact CD2-CB 4.15Å; L29-C610 HydrophobicContact CG-CB 4.47Å; G606-C610 WeakPolarHBondContact O-CB 3.41Å; G606-C610 PolarHBondContact O-N 3.27Å; S607-C610 WeakPolarHBondContact O-CB 3.21Å; S607-C610 PolarHBondContact O-N 3.38Å; L608-C610 VanDerWaalsContact C-N 3.34Å; C610-Q612 PolarHBondContact O-N 3Å; C610-A613 PolarHBondContact O-N 2.75Å; C610-R614 PolarHBondContact O-N 2.96Å; C610-R614 VanDerWaalsContact O-N 3.14Å
611H89.1Confident90.9Very high73 Ų7334.9 Ų34.934%0.33819%0.191SC..Hα-helixtrans-57.9-47176.5-72.1-63.6000111.9S607 L608 A613 R614 Y615S607-H611 PolarHBondContact O-CD2 2.85Å; S607-H611 PolarHBondContact O-N 3.21Å; L608-H611 PolarHBondContact O-N 2.69Å; H611-A613 PolarHBondContact O-N 2.81Å; H611-R614 WeakPolarHBondContact O-CB 3.18Å; H611-R614 PolarHBondContact O-N 2.99Å; H611-Y615 HydrophobicContact CB-CE1 4.42Å; H611-Y615 HydrophobicContact CB-CE2 4.23Å; H611-Y615 WeakPolarHBondContact O-CD1 3.45Å; H611-Y615 PolarHBondContact O-N 3.24Å
612Q91.1Very high90.8Very high2 Ų232.3 Ų32.31%0.00917%0.173CC..Hα-helixtrans-64.6-36.2177.5-75.3173.491.100113.4E106 I593 K594 L608 V609 C610 R614 Y615 L616E106-Q612 HydrophobicContact CG-CG 3.96Å; I593-Q612 HydrophobicContact CG2-CB 4.4Å; K594-Q612 PolarHBondContact O-NE2 2.98Å; L608-Q612 PolarHBondContact O-N 2.83Å; L608-Q612 VanDerWaalsContact O-N 3.13Å; L608-Q612 PolarHBondContact O-NE2 3.13Å; V609-Q612 PolarHBondContact O-N 2.75Å; C610-Q612 PolarHBondContact O-N 3Å; Q612-R614 VanDerWaalsContact C-N 3.26Å; Q612-R614 PolarHBondContact O-N 3.05Å; Q612-Y615 PolarHBondContact O-N 3.14Å; Q612-L616 WeakPolarHBondContact O-CB 3.42Å; Q612-L616 VanDerWaalsContact O-CG 3.32Å; Q612-L616 WeakPolarHBondContact O-CG 3.43Å; Q612-L616 PolarHBondContact O-N 3.48Å
613A91.6Very high90.4Very high7 Ų734.4 Ų34.46%0.05818%0.177CC..Hα-helixtrans-62.8-35.5176.100000111.8F28 V609 C610 H611 G617 L618F28-A613 HydrophobicContact CE1-CB 4.26Å; V609-A613 WeakPolarHBondContact O-CB 3.22Å; V609-A613 PolarHBondContact O-N 3.24Å; C610-A613 PolarHBondContact O-N 2.75Å; H611-A613 PolarHBondContact O-N 2.81Å; A613-G617 PolarHBondContact O-N 2.9Å; A613-L618 HydrophobicContact CB-CD1 4.26Å; A613-L618 PolarHBondContact O-N 2.94Å; A613-L618 VanDerWaalsContact O-N 3.08Å
614R89.4Confident89.8Confident98 Ų9831.6 Ų31.637%0.3716%0.16SC..Hα-helixtrans-69.6-46.3171.2-64.8176.9-175.4152.82.3111.7E25 C610 H611 Q612 L616 G617E25-R614 IonicContact OE1-CZ 2.88Å; E25-R614 IonicContact OE1-NE 3.01Å; E25-R614 PolarHBondContact OE1-NE 3.44Å; E25-R614 IonicContact OE1-NH2 3.16Å; E25-R614 IonicContact OE2-CZ 3.84Å; E25-R614 IonicContact OE2-NE 3.35Å; E25-R614 PolarHBondContact OE2-NE 3.36Å; E25-R614 IonicContact OE2-NH2 3.9Å; E25-R614 PolarHBondContact OE2-NH2 3.13Å; C610-R614 PolarHBondContact O-N 2.96Å; C610-R614 VanDerWaalsContact O-N 3.14Å; H611-R614 WeakPolarHBondContact O-CB 3.18Å; H611-R614 PolarHBondContact O-N 2.99Å; Q612-R614 VanDerWaalsContact C-N 3.26Å; Q612-R614 PolarHBondContact O-N 3.05Å; R614-L616 PolarHBondContact O-N 2.81Å; R614-G617 PolarHBondContact O-N 2.97Å
615Y87.6Confident89.1Confident24 Ų2430.9 Ų30.99%0.09416%0.157CC..Hα-helixtrans-59.5-32.9178.6-63.6-7.3000113.2E106 F388 I390 Y512 A513 H611 Q612E106-Y615 VanDerWaalsContact OE1-CD2 3.3Å; E106-Y615 WeakPolarHBondContact OE1-CD2 3.41Å; E106-Y615 WeakPolarHBondContact OE1-CE2 3.5Å; F388-Y615 WeakPolarHBondContact CB-O 3.47Å; F388-Y615 HydrophobicContact CD1-CD1 4.44Å; I390-Y615 HydrophobicContact CB-CE1 4.11Å; I390-Y615 HydrophobicContact CD1-CD1 4.05Å; I390-Y615 HydrophobicContact CD1-CE1 3.5Å; I390-Y615 HydrophobicContact CG1-CD1 4.29Å; I390-Y615 HydrophobicContact CG1-CE1 3.74Å; Y512-Y615 WeakPolarHBondContact CE2-O 3.47Å; Y512-Y615 PolarHBondContact OH-O 2.92Å; A513-Y615 HydrophobicContact CB-CD1 4.45Å; H611-Y615 HydrophobicContact CB-CE1 4.42Å; H611-Y615 HydrophobicContact CB-CE2 4.23Å; H611-Y615 WeakPolarHBondContact O-CD1 3.45Å; H611-Y615 PolarHBondContact O-N 3.24Å; Q612-Y615 PolarHBondContact O-N 3.14Å
616L89.9Confident88.3Confident6 Ų629.6 Ų29.63%0.03115%0.147CC..THydrogen-bonded Turntrans-89.2-3.5178.1-69.2168.7000113.1R591 I593 Q612 R614 L618R591-L616 HydrophobicContact CB-CD1 4.25Å; I593-L616 HydrophobicContact CD1-CD1 4.37Å; I593-L616 HydrophobicContact CG1-CD1 3.74Å; Q612-L616 WeakPolarHBondContact O-CB 3.42Å; Q612-L616 VanDerWaalsContact O-CG 3.32Å; Q612-L616 WeakPolarHBondContact O-CG 3.43Å; Q612-L616 PolarHBondContact O-N 3.48Å; R614-L616 PolarHBondContact O-N 2.81Å; L616-L618 HydrophobicContact CB-CD1 4.33Å; L616-L618 HydrophobicContact CB-CD2 3.84Å; L616-L618 HydrophobicContact CB-CG 3.74Å; L616-L618 HydrophobicContact CD1-CD1 4.39Å; L616-L618 PolarHBondContact O-N 3.42Å
617G88.4Confident87.3Confident6 Ų630.3 Ų30.36%0.06215%0.15CC..THydrogen-bonded Turntrans61.630.2-179.900000113.5A613 R614 M619 E620 N621A613-G617 PolarHBondContact O-N 2.9Å; R614-G617 PolarHBondContact O-N 2.97Å; G617-M619 PolarHBondContact O-N 3.41Å; G617-E620 PolarHBondContact O-N 3Å; G617-N621 PolarHBondContact O-N 2.65Å
618L91.2Very high86.5Confident0 Ų027.3 Ų27.30%013%0.13CC..Hα-helixtrans-66.5-38.7-170.2-60.9-178.7000112.6F28 I45 I50 R591 I593 A613 L616 E620 N621 V622F28-L618 HydrophobicContact CE1-CB 4.35Å; F28-L618 HydrophobicContact CE1-CD1 4.05Å; F28-L618 HydrophobicContact CE2-CB 4.48Å; F28-L618 HydrophobicContact CZ-CB 3.79Å; F28-L618 HydrophobicContact CZ-CD1 3.93Å; I45-L618 HydrophobicContact CD1-CB 4.06Å; I45-L618 HydrophobicContact CD1-CD2 3.88Å; I45-L618 HydrophobicContact CD1-CG 4.47Å; I50-L618 HydrophobicContact CD1-CD1 4.15Å; I50-L618 HydrophobicContact CG1-CD1 4.43Å; R591-L618 HydrophobicContact CB-CD2 3.95Å; R591-L618 HydrophobicContact CG-CD2 3.8Å; I593-L618 HydrophobicContact CD1-CD1 3.86Å; A613-L618 HydrophobicContact CB-CD1 4.26Å; A613-L618 PolarHBondContact O-N 2.94Å; A613-L618 VanDerWaalsContact O-N 3.08Å; L616-L618 HydrophobicContact CB-CD1 4.33Å; L616-L618 HydrophobicContact CB-CD2 3.84Å; L616-L618 HydrophobicContact CB-CG 3.74Å; L616-L618 HydrophobicContact CD1-CD1 4.39Å; L616-L618 PolarHBondContact O-N 3.42Å; L618-E620 VanDerWaalsContact C-N 3.34Å; L618-E620 PolarHBondContact O-N 2.99Å; L618-N621 WeakPolarHBondContact O-CB 3.43Å; L618-N621 PolarHBondContact O-N 3.03Å; L618-V622 WeakPolarHBondContact O-CG2 3.31Å; L618-V622 PolarHBondContact O-N 3.37Å
619M87.9Confident86.2Confident21 Ų2127.7 Ų27.710%0.10313%0.131CC..Hα-helixtrans-63.5-41.7178.4-69.9-62.7-7000111.6L23 E25 F28 G617 V622 R623L23-M619 HydrophobicContact CD1-CE 3.77Å; L23-M619 HydrophobicContact CD1-SD 4.14Å; L23-M619 HydrophobicContact CG-CE 3.83Å; E25-M619 HydrophobicContact CG-CE 4.44Å; E25-M619 HydrophobicContact CG-CG 4.33Å; F28-M619 HydrophobicContact CB-SD 3.87Å; F28-M619 HydrophobicContact CD2-SD 3.68Å; F28-M619 HydrophobicContact CE2-SD 4.36Å; F28-M619 HydrophobicContact CG-SD 3.8Å; G617-M619 PolarHBondContact O-N 3.41Å; M619-V622 PolarHBondContact O-N 2.85Å; M619-R623 WeakPolarHBondContact O-CG 3.1Å; M619-R623 PolarHBondContact O-N 2.86Å
620E82.9Confident85.6Confident46 Ų4628 Ų2822%0.21513%0.134CC..Hα-helixtrans-68.7-37.8178-162.862.8-167.300111.2F437 G617 L618 V622 R623 V624F437-E620 PolarHBondContact N-OE1 3.48Å; G617-E620 PolarHBondContact O-N 3Å; L618-E620 VanDerWaalsContact C-N 3.34Å; L618-E620 PolarHBondContact O-N 2.99Å; E620-V622 PolarHBondContact O-N 3.3Å; E620-R623 PolarHBondContact O-N 3.34Å; E620-R623 WeakPolarHBondContact OE2-CD 3.34Å; E620-R623 IonicContact OE2-NH1 2.74Å; E620-R623 PolarHBondContact OE2-NH1 3.41Å; E620-R623 VanDerWaalsContact OE2-NH1 3.13Å; E620-V624 WeakPolarHBondContact O-CG2 3.33Å; E620-V624 PolarHBondContact O-N 3.24Å
621N87.4Confident85.4Confident1 Ų128.1 Ų28.11%0.00513%0.132CC..Hα-helixtrans-58.5-46.2172.1-173.1-13.6000111.8I45 F412 G617 L618 R623 V624 R625I45-N621 HydrophobicContact CG2-CB 4.46Å; I45-N621 WeakPolarHBondContact CG2-OD1 3.32Å; F412-N621 HydrophobicContact CE1-CB 4.12Å; F412-N621 WeakPolarHBondContact CE1-ND2 3.2Å; F412-N621 VanDerWaalsContact CZ-CG 3.47Å; F412-N621 WeakPolarHBondContact CZ-ND2 3.39Å; F412-N621 WeakPolarHBondContact CZ-OD1 3.43Å; G617-N621 PolarHBondContact O-N 2.65Å; L618-N621 WeakPolarHBondContact O-CB 3.43Å; L618-N621 PolarHBondContact O-N 3.03Å; N621-R623 PolarHBondContact O-N 2.93Å; N621-V624 PolarHBondContact O-N 3.35Å; N621-R625 WeakPolarHBondContact O-CB 3.42Å; N621-R625 PolarHBondContact O-N 2.79Å
622V88.9Confident85.3Confident0 Ų028.1 Ų28.10%013%0.129CC..Hα-helixtrans-61.6-44.3174.6179.50000110.7M17 L23 F28 I45 L618 M619 E620 R625 R626M17-V622 HydrophobicContact CB-CG2 3.8Å; M17-V622 WeakPolarHBondContact O-CG1 3.15Å; L23-V622 HydrophobicContact CD1-CB 4.24Å; L23-V622 HydrophobicContact CD1-CG1 3.68Å; L23-V622 HydrophobicContact CD2-CB 4.22Å; L23-V622 HydrophobicContact CD2-CG1 3.65Å; L23-V622 HydrophobicContact CG-CG1 4.33Å; F28-V622 HydrophobicContact CE2-CG2 4.09Å; I45-V622 HydrophobicContact CB-CG2 4.4Å; I45-V622 HydrophobicContact CD1-CG2 3.94Å; I45-V622 HydrophobicContact CG1-CG2 3.82Å; I45-V622 HydrophobicContact CG2-CB 4.41Å; I45-V622 HydrophobicContact CG2-CG2 3.7Å; L618-V622 WeakPolarHBondContact O-CG2 3.31Å; L618-V622 PolarHBondContact O-N 3.37Å; M619-V622 PolarHBondContact O-N 2.85Å; E620-V622 PolarHBondContact O-N 3.3Å; V622-R625 PolarHBondContact O-N 3.17Å; V622-R626 WeakPolarHBondContact O-CA 3.42Å; V622-R626 WeakPolarHBondContact O-CB 3.26Å; V622-R626 PolarHBondContact O-N 3.38Å
623R84.4Confident85.2Confident136 Ų13629.8 Ų29.851%0.51314%0.137SC..Hα-helixtrans-59.9-47.6178.3-73.9172.1-178.9171.7-3112.2L23 M619 E620 N621 R626 A627L23-R623 HydrophobicContact CD2-CG 3.89Å; M619-R623 WeakPolarHBondContact O-CG 3.1Å; M619-R623 PolarHBondContact O-N 2.86Å; E620-R623 PolarHBondContact O-N 3.34Å; E620-R623 WeakPolarHBondContact OE2-CD 3.34Å; E620-R623 IonicContact OE2-NH1 2.74Å; E620-R623 PolarHBondContact OE2-NH1 3.41Å; E620-R623 VanDerWaalsContact OE2-NH1 3.13Å; N621-R623 PolarHBondContact O-N 2.93Å; R623-R626 PolarHBondContact O-N 2.8Å; R623-A627 VanDerWaalsContact O-CB 3.26Å; R623-A627 WeakPolarHBondContact O-CB 3.36Å; R623-A627 PolarHBondContact O-N 3.36Å
624V82.5Confident85.2Confident6 Ų631 Ų314%0.03615%0.147CC..Hα-helixtrans-63.2-44.9179172.70000111.1I413 T416 L417 E620 N621 R626I413-V624 HydrophobicContact CD1-CG2 4.27Å; T416-V624 HydrophobicContact CG2-CG1 4.38Å; L417-V624 HydrophobicContact CD1-CG1 4.35Å; E620-V624 WeakPolarHBondContact O-CG2 3.33Å; E620-V624 PolarHBondContact O-N 3.24Å; N621-V624 PolarHBondContact O-N 3.35Å; V624-R626 VanDerWaalsContact C-N 3.31Å; V624-R626 PolarHBondContact O-N 2.75Å
625R80.8Confident85.4Confident14 Ų1426.6 Ų26.65%0.05313%0.131CC..Hα-helixtrans-67.6-30.7176-74.5-72.4-170.3179.7-7.5112.7V18 I45 S47 T416 E419 E420 N621 V622V18-R625 HydrophobicContact CG2-CB 3.92Å; I45-R625 HydrophobicContact CG2-CG 4.49Å; S47-R625 PolarHBondContact OG-NH2 2.99Å; T416-R625 HydrophobicContact CG2-CG 4.27Å; T416-R625 VanDerWaalsContact CG2-CZ 3.46Å; E419-R625 IonicContact OE2-CZ 3.02Å; E419-R625 IonicContact OE2-NH1 2.71Å; E419-R625 PolarHBondContact OE2-NH1 3.24Å; E419-R625 IonicContact OE2-NH2 2.61Å; E419-R625 PolarHBondContact OE2-NH2 2.79Å; E419-R625 VanDerWaalsContact OE2-NH2 3.1Å; E420-R625 IonicContact OE1-CZ 3.75Å; E420-R625 IonicContact OE1-NH1 2.68Å; E420-R625 PolarHBondContact OE1-NH1 3.36Å; N621-R625 WeakPolarHBondContact O-CB 3.42Å; N621-R625 PolarHBondContact O-N 2.79Å; V622-R625 PolarHBondContact O-N 3.17Å
626R79.1Confident85.5Confident42 Ų4231.2 Ų31.216%0.15815%0.153CC..Hα-helixtrans-87.3-26.7-176.3-174.5170.8176.1-171.5-8.4114.2V18 L20 E21 V622 R623 V624 G628 A630V18-R626 HydrophobicContact CG1-CB 4.23Å; L20-R626 PolarHBondContact O-NH1 3.05Å; E21-R626 IonicContact OE1-NH2 2.62Å; E21-R626 IonicContact OE2-CZ 3.3Å; E21-R626 IonicContact OE2-NH1 2.77Å; E21-R626 PolarHBondContact OE2-NH1 3.23Å; E21-R626 IonicContact OE2-NH2 3.35Å; E21-R626 PolarHBondContact OE2-NH2 3.24Å; V622-R626 WeakPolarHBondContact O-CA 3.42Å; V622-R626 WeakPolarHBondContact O-CB 3.26Å; V622-R626 PolarHBondContact O-N 3.38Å; R623-R626 PolarHBondContact O-N 2.8Å; V624-R626 VanDerWaalsContact C-N 3.31Å; V624-R626 PolarHBondContact O-N 2.75Å; R626-G628 CarbonylContact O-C 3.54Å; R626-G628 PolarHBondContact O-N 3.01Å; R626-G628 VanDerWaalsContact O-O 3.08Å; R626-A630 HydrophobicContact CG-CB 4.33Å
627A71.8Confident85.5Confident46 Ų4634 Ų3438%0.3817%0.171SC..SBendtrans-61.9-16.9-173.800000114.1I434 R623I434-A627 HydrophobicContact CB-CB 4.06Å; I434-A627 HydrophobicContact CD1-CB 3.83Å; I434-A627 HydrophobicContact CG1-CB 3.63Å; I434-A627 HydrophobicContact CG2-CB 3.38Å; R623-A627 VanDerWaalsContact O-CB 3.26Å; R623-A627 WeakPolarHBondContact O-CB 3.36Å; R623-A627 PolarHBondContact O-N 3.36Å
628G75.4Confident85.7Confident9 Ų933.7 Ų33.79%0.09317%0.168CC..SBendtrans-87.6-126.2162.400000112.9Y424 R626Y424-G628 WeakPolarHBondContact OH-CA 3.3Å; R626-G628 CarbonylContact O-C 3.54Å; R626-G628 PolarHBondContact O-N 3.01Å; R626-G628 VanDerWaalsContact O-O 3.08Å
629Y83.1Confident85.8Confident27 Ų2734.4 Ų34.411%0.10617%0.172CC..  trans-97.2117.1174.5-67.8-88.8000110.2Y424 I429 F631 S676 F683 I684 R685Y424-Y629 AromaticContact CE2-CD2 3.67Å; Y424-Y629 HydrophobicContact CE2-CD2 3.67Å; Y424-Y629 HydrophobicContact CE2-CE2 4.11Å; Y424-Y629 AromaticContact CZ-CD2 3.85Å; Y424-Y629 PolarHBondContact OH-N 2.93Å; I429-Y629 HydrophobicContact CG2-CD2 4.18Å; I429-Y629 HydrophobicContact CG2-CE2 3.48Å; I429-Y629 VanDerWaalsContact CG2-CE2 3.48Å; Y629-F631 PolarHBondContact O-N 2.79Å; Y629-S676 VanDerWaalsContact OH-CB 3.24Å; Y629-S676 WeakPolarHBondContact OH-CB 3.35Å; Y629-S676 PolarHBondContact OH-OG 3.3Å; Y629-F683 HydrophobicContact CD1-CB 3.58Å; Y629-F683 HydrophobicContact CD2-CB 4.02Å; Y629-F683 AromaticContact CD2-CD1 3.96Å; Y629-F683 HydrophobicContact CD2-CD1 3.96Å; Y629-F683 HydrophobicContact CD2-CG 4.35Å; Y629-F683 HydrophobicContact CE1-CB 4.06Å; Y629-F683 HydrophobicContact CE2-CB 4.48Å; Y629-F683 HydrophobicContact CG-CB 3.58Å; Y629-F683 AromaticContact CG-CD1 3.96Å; Y629-F683 HydrophobicContact CG-CD1 3.96Å; Y629-F683 HydrophobicContact CG-CG 4.24Å; Y629-I684 CarbonylContact C-O 3.52Å; Y629-R685 HydrophobicContact CD1-CB 3.95Å; Y629-R685 HydrophobicContact CD1-CG 4.41Å; Y629-R685 HydrophobicContact CE1-CB 4.15Å
630A82.7Confident86Confident8 Ų837.2 Ų37.27%0.06619%0.185CC..SBendtrans-62.9-25.3-177.100000114.1V18 R626 I684 R685 P687V18-A630 HydrophobicContact CG1-CB 3.94Å; V18-A630 VanDerWaalsContact CG1-O 3.3Å; V18-A630 WeakPolarHBondContact CG1-O 3.14Å; R626-A630 HydrophobicContact CG-CB 4.33Å; A630-I684 PolarHBondContact N-O 3.3Å; A630-R685 VanDerWaalsContact CB-O 3.3Å; A630-R685 WeakPolarHBondContact CB-O 3.26Å; A630-R685 PolarHBondContact N-O 3.45Å; A630-P687 HydrophobicContact CB-CG 3.83Å
631F87.3Confident86.4Confident19 Ų1935.8 Ų35.88%0.08318%0.178CC..EExtended strand (participates in β ladder)trans-139.6145.4179.6-179.3-96.1000111.7L19 Y629 Q633 I684 L690L19-F631 HydrophobicContact CD2-CB 4.13Å; L19-F631 HydrophobicContact CD2-CD2 4.42Å; Y629-F631 PolarHBondContact O-N 2.79Å; F631-Q633 HydrophobicContact CE1-CB 3.75Å; F631-Q633 HydrophobicContact CZ-CB 3.96Å; F631-I684 HydrophobicContact CB-CB 4.27Å; F631-I684 HydrophobicContact CD1-CB 4.48Å; F631-I684 HydrophobicContact CD1-CD1 3.96Å; F631-I684 HydrophobicContact CD1-CG1 4.36Å; F631-I684 PolarHBondContact N-O 3.25Å; F631-I684 PolarHBondContact O-N 2.7Å; F631-L690 HydrophobicContact CB-CD2 4.13Å; F631-L690 HydrophobicContact CD1-CD1 3.95Å; F631-L690 HydrophobicContact CD1-CD2 4.25Å; F631-L690 HydrophobicContact CD2-CD2 3.58Å; F631-L690 HydrophobicContact CE1-CD1 3.83Å; F631-L690 HydrophobicContact CE2-CD1 4.41Å; F631-L690 HydrophobicContact CE2-CD2 3.97Å; F631-L690 HydrophobicContact CG-CD1 4.29Å; F631-L690 HydrophobicContact CG-CD2 3.72Å; F631-L690 HydrophobicContact CZ-CD1 4.07Å; F631-L690 HydrophobicContact CZ-CD2 4.45Å
632R88.1Confident86.7Confident73 Ų7335.8 Ų35.828%0.27518%0.178SC..EExtended strand (participates in β ladder)trans-146.6142.2175.459.8-173.8174.2-109.912.8111.5E420 I682 F683E420-R632 IonicContact OE1-CZ 2.65Å; E420-R632 IonicContact OE1-NH1 2.78Å; E420-R632 PolarHBondContact OE1-NH1 3.38Å; E420-R632 VanDerWaalsContact OE1-NH1 3.15Å; E420-R632 IonicContact OE1-NH2 2.77Å; E420-R632 PolarHBondContact OE1-NH2 3.17Å; E420-R632 IonicContact OE2-CZ 2.76Å; E420-R632 IonicContact OE2-NH1 2.59Å; E420-R632 PolarHBondContact OE2-NH1 2.79Å; E420-R632 IonicContact OE2-NH2 3.56Å; R632-I682 VanDerWaalsContact CA-O 3.26Å; R632-I682 WeakPolarHBondContact CA-O 3.39Å; R632-F683 HydrophobicContact CB-CD1 3.87Å; R632-F683 HydrophobicContact CB-CE1 3.94Å; R632-F683 HydrophobicContact CB-CG 4.28Å; R632-F683 HydrophobicContact CB-CZ 4.39Å; R632-F683 HydrophobicContact CG-CE1 4.48Å
633Q88.5Confident86.9Confident37 Ų3737.1 Ų37.117%0.17318%0.183CC..EExtended strand (participates in β ladder)trans-150.7146.5179.3-167.6175.714.900110.7F631 P637 C638 K681 I682F631-Q633 HydrophobicContact CE1-CB 3.75Å; F631-Q633 HydrophobicContact CZ-CB 3.96Å; Q633-P637 HydrophobicContact CG-CB 4.27Å; Q633-C638 HydrophobicContact CB-CB 4.45Å; Q633-C638 HydrophobicContact CG-CB 4.31Å; Q633-K681 CarbonylContact O-C 3.56Å; Q633-K681 WeakPolarHBondContact O-CA 3.47Å; Q633-K681 VanDerWaalsContact O-CB 3.32Å; Q633-K681 WeakPolarHBondContact O-CB 3.33Å; Q633-I682 HydrophobicContact CB-CG2 4.44Å; Q633-I682 PolarHBondContact N-O 3.22Å; Q633-I682 WeakPolarHBondContact O-CG2 3.28Å; Q633-I682 PolarHBondContact O-N 3.09Å
634A91.1Very high87.4Confident33 Ų3331.9 Ų31.927%0.27317%0.165SC..EExtended strand (participates in β ladder)trans-59149.6171.100000111.2E636 P637 C638 K681A634-E636 VanDerWaalsContact C-N 3.33Å; A634-E636 PolarHBondContact O-N 3.1Å; A634-P637 HydrophobicContact CB-CG 4.2Å; A634-P637 WeakPolarHBondContact O-CD 3.16Å; A634-C638 VanDerWaalsContact O-CB 3.25Å; A634-C638 WeakPolarHBondContact O-CB 3.35Å; A634-C638 PolarHBondContact O-N 3.17Å; A634-C638 VanDerWaalsContact O-N 3.13Å; A634-K681 HydrophobicContact CB-CG 4.45Å
635Y93.5Very high87.9Confident5 Ų533 Ų332%0.0217%0.171CC..Hα-helixtrans-62.8-38-175.5-70.5-64.1000113.1C638 L639 R658 V661 Y677 G678 S680 K681 I682Y635-C638 PolarHBondContact O-N 3.19Å; Y635-L639 VanDerWaalsContact O-CB 3.3Å; Y635-L639 WeakPolarHBondContact O-CB 3.49Å; Y635-L639 PolarHBondContact O-N 3.35Å; Y635-R658 HydrophobicContact CD1-CB 4.13Å; Y635-R658 HydrophobicContact CD1-CG 4.42Å; Y635-R658 HydrophobicContact CD2-CB 3.84Å; Y635-R658 HydrophobicContact CD2-CG 4.39Å; Y635-R658 HydrophobicContact CE1-CB 4.19Å; Y635-R658 HydrophobicContact CE1-CG 3.98Å; Y635-R658 HydrophobicContact CE2-CB 3.92Å; Y635-R658 HydrophobicContact CE2-CG 3.96Å; Y635-R658 HydrophobicContact CG-CB 3.96Å; Y635-V661 HydrophobicContact CD1-CB 4.1Å; Y635-V661 HydrophobicContact CD1-CG1 4.39Å; Y635-V661 HydrophobicContact CD1-CG2 4.01Å; Y635-Y677 AromaticContact CE1-CD1 3.98Å; Y635-Y677 HydrophobicContact CE1-CD1 3.98Å; Y635-Y677 VanDerWaalsContact OH-CA 3.26Å; Y635-Y677 WeakPolarHBondContact OH-CA 3.37Å; Y635-Y677 WeakPolarHBondContact OH-CB 3.36Å; Y635-G678 WeakPolarHBondContact CE2-O 3.42Å; Y635-G678 PolarHBondContact OH-N 3.08Å; Y635-G678 VanDerWaalsContact OH-N 3.16Å; Y635-G678 PolarHBondContact OH-O 2.99Å; Y635-S680 WeakPolarHBondContact CD2-O 3.4Å; Y635-S680 VanDerWaalsContact CE2-C 3.42Å; Y635-S680 PolarHBondContact N-O 3.09Å; Y635-K681 VanDerWaalsContact CZ-O 3.31Å; Y635-K681 PolarHBondContact OH-O 3.5Å; Y635-K681 VanDerWaalsContact OH-O 3.14Å; Y635-I682 HydrophobicContact CD1-CB 4.2Å; Y635-I682 HydrophobicContact CE1-CB 3.85Å; Y635-I682 HydrophobicContact CE1-CD1 4.38Å
636E91.3Very high88.5Confident120 Ų12032.4 Ų32.456%0.56117%0.168SC*.Hα-helixtrans-65.9-52.9-176.9-62.369.1-161.900111.7A634 C638 L639 E640 A657A634-E636 VanDerWaalsContact C-N 3.33Å; A634-E636 PolarHBondContact O-N 3.1Å; E636-C638 VanDerWaalsContact C-N 3.32Å; E636-C638 PolarHBondContact O-N 3.49Å; E636-L639 PolarHBondContact O-N 2.99Å; E636-E640 WeakPolarHBondContact O-CB 3.34Å; E636-E640 PolarHBondContact O-N 3.06Å; E636-A657 HydrophobicContact CB-CB 4.4Å; E636-A657 HydrophobicContact CG-CB 3.78Å
637P89.9Confident88.9Confident64 Ų6439.5 Ų39.542%0.41620%0.2SC..Hα-helixtrans-62.9-36.7174.4-23.736000113.2Q633 A634 R641Q633-P637 HydrophobicContact CG-CB 4.27Å; A634-P637 HydrophobicContact CB-CG 4.2Å; A634-P637 WeakPolarHBondContact O-CD 3.16Å; P637-R641 VanDerWaalsContact O-CB 3.25Å; P637-R641 WeakPolarHBondContact O-CB 3.33Å; P637-R641 PolarHBondContact O-N 3.03Å
638C91.4Very high89.9Confident1 Ų142.1 Ų42.11%0.00721%0.208CC..Hα-helixtrans-62.2-51177-179.80000111Q633 A634 Y635 E636 R641 Y642 V661 I682Q633-C638 HydrophobicContact CB-CB 4.45Å; Q633-C638 HydrophobicContact CG-CB 4.31Å; A634-C638 VanDerWaalsContact O-CB 3.25Å; A634-C638 WeakPolarHBondContact O-CB 3.35Å; A634-C638 PolarHBondContact O-N 3.17Å; A634-C638 VanDerWaalsContact O-N 3.13Å; Y635-C638 PolarHBondContact O-N 3.19Å; E636-C638 VanDerWaalsContact C-N 3.32Å; E636-C638 PolarHBondContact O-N 3.49Å; C638-R641 PolarHBondContact O-N 2.67Å; C638-Y642 WeakPolarHBondContact O-CD2 3.33Å; C638-Y642 PolarHBondContact O-N 3.25Å; C638-Y642 VanDerWaalsContact O-N 3.08Å; C638-V661 HydrophobicContact CB-CG2 4.36Å; C638-I682 HydrophobicContact CB-CG2 4.09Å
639L93.8Very high90.7Very high15 Ų1541.7 Ų41.78%0.07920%0.203CC..Hα-helixtrans-63.5-45.6179.2-176.459.1000111.2Y635 E636 R641 Y642 K643 T649 W653 A657 V661Y635-L639 VanDerWaalsContact O-CB 3.3Å; Y635-L639 WeakPolarHBondContact O-CB 3.49Å; Y635-L639 PolarHBondContact O-N 3.35Å; E636-L639 PolarHBondContact O-N 2.99Å; L639-R641 PolarHBondContact O-N 2.88Å; L639-Y642 PolarHBondContact O-N 2.96Å; L639-K643 HydrophobicContact CD1-CB 4.12Å; L639-K643 HydrophobicContact CG-CB 4.45Å; L639-K643 WeakPolarHBondContact O-CA 3.38Å; L639-K643 WeakPolarHBondContact O-CB 3.38Å; L639-K643 WeakPolarHBondContact O-CG 3.44Å; L639-K643 PolarHBondContact O-N 3.18Å; L639-T649 HydrophobicContact CD1-CG2 4.07Å; L639-W653 HydrophobicContact CD2-CB 4.01Å; L639-W653 HydrophobicContact CD2-CG 4.01Å; L639-A657 HydrophobicContact CD2-CB 4.33Å; L639-V661 HydrophobicContact CB-CG2 3.87Å; L639-V661 HydrophobicContact CD1-CG2 4.45Å
640E91.5Very high91.1Very high79 Ų7945.1 Ų45.137%0.36922%0.216SC..Hα-helixtrans-60.6-35.3179.8-174.466.3-174.300111.9K4 E636 K643K4-E640 IonicContact NZ-OE1 3.77Å; K4-E640 PolarHBondContact NZ-OE1 3.46Å; E636-E640 WeakPolarHBondContact O-CB 3.34Å; E636-E640 PolarHBondContact O-N 3.06Å; E640-K643 VanDerWaalsContact CD-NZ 3.3Å; E640-K643 IonicContact OE1-NZ 3.94Å; E640-K643 PolarHBondContact OE1-NZ 3.46Å; E640-K643 WeakPolarHBondContact OE2-CE 3.46Å; E640-K643 IonicContact OE2-NZ 3.68Å; E640-K643 PolarHBondContact OE2-NZ 3.22Å
641R91.4Very high91.6Very high17 Ų1747.8 Ų47.86%0.06423%0.233CC..Hα-helixtrans-73.2-36.1178.8-174.8169.9-177.982.34.5113.5D9 P637 C638 L639 E694 R697D9-R641 IonicContact OD1-CZ 3.8Å; D9-R641 IonicContact OD1-NH1 3.1Å; D9-R641 PolarHBondContact OD1-NH1 2.94Å; D9-R641 IonicContact OD1-NH2 2.64Å; D9-R641 PolarHBondContact OD1-NH2 3.44Å; D9-R641 IonicContact OD2-NH1 2.98Å; D9-R641 PolarHBondContact OD2-NH1 3.48Å; D9-R641 VanDerWaalsContact OD2-NH1 3.16Å; P637-R641 VanDerWaalsContact O-CB 3.25Å; P637-R641 WeakPolarHBondContact O-CB 3.33Å; P637-R641 PolarHBondContact O-N 3.03Å; C638-R641 PolarHBondContact O-N 2.67Å; L639-R641 PolarHBondContact O-N 2.88Å; R641-E694 IonicContact CZ-OE1 3.46Å; R641-E694 IonicContact CZ-OE2 2.76Å; R641-E694 IonicContact NE-OE1 2.82Å; R641-E694 PolarHBondContact NE-OE1 3.34Å; R641-E694 IonicContact NE-OE2 3.81Å; R641-E694 IonicContact NH2-OE1 2.7Å; R641-E694 PolarHBondContact NH2-OE1 2.83Å; R641-E694 IonicContact NH2-OE2 2.78Å; R641-E694 PolarHBondContact NH2-OE2 3.49Å; R641-R697 VanDerWaalsContact NH2-NH1 3.15Å; R641-R697 WeakPolarHBondContact O-CD 3.42Å; R641-R697 PolarHBondContact O-NE 3.11Å; R641-R697 VanDerWaalsContact O-NE 3.11Å
642Y94Very high91.7Very high1 Ų153.9 Ų53.90%0.00426%0.262CS..Hα-helixtrans-115.3-2-170.7-59-64.7000115.1C638 L639 M644 L645 L664 L690 L693 E694 R697C638-Y642 WeakPolarHBondContact O-CD2 3.33Å; C638-Y642 PolarHBondContact O-N 3.25Å; C638-Y642 VanDerWaalsContact O-N 3.08Å; L639-Y642 PolarHBondContact O-N 2.96Å; Y642-M644 PolarHBondContact O-N 3.49Å; Y642-L645 HydrophobicContact CD1-CD1 3.98Å; Y642-L645 HydrophobicContact CG-CD1 4.41Å; Y642-L645 WeakPolarHBondContact O-CB 3.26Å; Y642-L645 VanDerWaalsContact O-CG 3.29Å; Y642-L645 WeakPolarHBondContact O-CG 3.28Å; Y642-L645 PolarHBondContact O-N 3.37Å; Y642-L664 WeakPolarHBondContact O-CD1 3.4Å; Y642-L690 WeakPolarHBondContact OH-CD1 3.28Å; Y642-L693 HydrophobicContact CD1-CB 4.14Å; Y642-L693 HydrophobicContact CE1-CB 3.78Å; Y642-E694 PolarHBondContact OH-OE1 3.28Å; Y642-R697 HydrophobicContact CD1-CB 4.33Å; Y642-R697 HydrophobicContact CE1-CB 4.49Å
643K94.3Very high91.9Very high27 Ų2754.1 Ų54.112%0.11726%0.262CS..THydrogen-bonded Turntrans-57.3-20.4-178.461.3179-177.3-170.90115L639 E640 L645 T649 W650 P651L639-K643 HydrophobicContact CD1-CB 4.12Å; L639-K643 HydrophobicContact CG-CB 4.45Å; L639-K643 WeakPolarHBondContact O-CA 3.38Å; L639-K643 WeakPolarHBondContact O-CB 3.38Å; L639-K643 WeakPolarHBondContact O-CG 3.44Å; L639-K643 PolarHBondContact O-N 3.18Å; E640-K643 VanDerWaalsContact CD-NZ 3.3Å; E640-K643 IonicContact OE1-NZ 3.94Å; E640-K643 PolarHBondContact OE1-NZ 3.46Å; E640-K643 WeakPolarHBondContact OE2-CE 3.46Å; E640-K643 IonicContact OE2-NZ 3.68Å; E640-K643 PolarHBondContact OE2-NZ 3.22Å; K643-L645 VanDerWaalsContact C-N 3.26Å; K643-L645 PolarHBondContact O-N 2.98Å; K643-T649 CarbonylContact O-C 3.56Å; K643-T649 PolarHBondContact O-OG1 2.81Å; K643-W650 HydrophobicContact CG-CE3 4.22Å; K643-W650 HydrophobicContact CG-CZ3 4.49Å; K643-W650 WeakPolarHBondContact O-CB 3.24Å; K643-W650 PolarHBondContact O-N 3.43Å; K643-P651 WeakPolarHBondContact CE-O 3.41Å; K643-P651 PolarHBondContact NZ-O 2.88Å
644M93.8Very high91.8Very high27 Ų2762.3 Ų62.313%0.13330%0.298CS..THydrogen-bonded Turntrans-73.1-18176.966.1-83.5-78.300113.5Y642 W650 R697 C700 L701 L704Y642-M644 PolarHBondContact O-N 3.49Å; M644-W650 VanDerWaalsContact CA-CE3 3.41Å; M644-W650 HydrophobicContact CB-CD2 4.04Å; M644-W650 HydrophobicContact CB-CE3 3.43Å; M644-W650 VanDerWaalsContact CB-CE3 3.43Å; M644-W650 HydrophobicContact CB-CH2 4.37Å; M644-W650 HydrophobicContact CB-CZ3 3.62Å; M644-R697 HydrophobicContact SD-CG 4.21Å; M644-C700 HydrophobicContact CG-CB 4.05Å; M644-C700 VanDerWaalsContact CG-SG 3.53Å; M644-C700 PolarHBondContact O-SG 3.01Å; M644-C700 VanDerWaalsContact O-SG 3.42Å; M644-L701 HydrophobicContact CE-CD2 4.09Å; M644-L704 HydrophobicContact CB-CD1 4.25Å; M644-L704 HydrophobicContact CE-CD1 4.47Å
645L94.1Very high91.8Very high30 Ų3062.7 Ų62.716%0.15730%0.304CS..SBendtrans-72-33.3-176.6-58.2-176.9000112.3Y642 K643 L664 L668 L693 K696 R697 C700Y642-L645 HydrophobicContact CD1-CD1 3.98Å; Y642-L645 HydrophobicContact CG-CD1 4.41Å; Y642-L645 WeakPolarHBondContact O-CB 3.26Å; Y642-L645 VanDerWaalsContact O-CG 3.29Å; Y642-L645 WeakPolarHBondContact O-CG 3.28Å; Y642-L645 PolarHBondContact O-N 3.37Å; K643-L645 VanDerWaalsContact C-N 3.26Å; K643-L645 PolarHBondContact O-N 2.98Å; L645-L664 HydrophobicContact CB-CD1 3.91Å; L645-L668 HydrophobicContact CB-CD1 4.16Å; L645-L668 HydrophobicContact CB-CD2 4.26Å; L645-L668 HydrophobicContact CD1-CD1 3.88Å; L645-L693 HydrophobicContact CD1-CD2 4.25Å; L645-K696 HydrophobicContact CD1-CB 4.24Å; L645-K696 VanDerWaalsContact CD2-C 3.46Å; L645-K696 HydrophobicContact CD2-CB 3.81Å; L645-K696 WeakPolarHBondContact CD2-O 3.37Å; L645-R697 HydrophobicContact CD2-CB 4.22Å; L645-C700 HydrophobicContact CD2-CB 4.09Å
646C91.6Very high91.8Very high0 Ų072.1 Ų72.10%034%0.34CS..SBendtrans-107.4134.2177.9175.50000110.9N648 T649 W650 L664 D667C646-N648 PolarHBondContact O-N 3.43Å; C646-N648 PolarHBondContact SG-N 2.81Å; C646-N648 VanDerWaalsContact SG-N 3.35Å; C646-T649 WeakPolarHBondContact CB-OG1 3.14Å; C646-T649 PolarHBondContact O-N 3.49Å; C646-T649 PolarHBondContact O-OG1 3.48Å; C646-T649 VanDerWaalsContact O-OG1 3.06Å; C646-W650 WeakPolarHBondContact O-CB 3.18Å; C646-W650 PolarHBondContact O-N 3.4Å; C646-L664 HydrophobicContact CB-CD1 3.65Å; C646-D667 HydrophobicContact CB-CB 4.2Å; C646-D667 WeakPolarHBondContact CB-OD2 3.26Å; C646-D667 PolarHBondContact SG-OD2 3.35Å
647K89.3Confident91.9Very high191 Ų19167 Ų6783%0.8332%0.318SS*.THydrogen-bonded Turntrans-65.6-23.7178.5-65.7-179.9-175.3170.50113.1
648N90.8Very high92.1Very high101 Ų10169.3 Ų69.354%0.5432%0.319SS..THydrogen-bonded Turntrans-77.9-31.7179.6-58.9-34.2000111.9C646 V663C646-N648 PolarHBondContact O-N 3.43Å; C646-N648 PolarHBondContact SG-N 2.81Å; C646-N648 VanDerWaalsContact SG-N 3.35Å; N648-V663 HydrophobicContact CB-CG1 4.08Å
649T92.8Very high92.3Very high0 Ų074.1 Ų74.10%034%0.341CS..THydrogen-bonded Turntrans-88.8-24.4178.251.80000112.8L639 K643 C646 H652 W653 L664L639-T649 HydrophobicContact CD1-CG2 4.07Å; K643-T649 CarbonylContact O-C 3.56Å; K643-T649 PolarHBondContact O-OG1 2.81Å; C646-T649 WeakPolarHBondContact CB-OG1 3.14Å; C646-T649 PolarHBondContact O-N 3.49Å; C646-T649 PolarHBondContact O-OG1 3.48Å; C646-T649 VanDerWaalsContact O-OG1 3.06Å; T649-H652 CarbonylContact O-C 3.58Å; T649-H652 PolarHBondContact O-N 3.27Å; T649-W653 HydrophobicContact CG2-CD2 4.41Å; T649-W653 HydrophobicContact CG2-CE3 3.97Å; T649-W653 HydrophobicContact CG2-CZ3 4.33Å; T649-L664 HydrophobicContact CG2-CB 4.47Å
650W92.9Very high92.3Very high99 Ų9973.4 Ų73.438%0.37534%0.337SS..SBendtrans-84.2140178.9-173.7-106.4000112.7K643 M644 C646 L704K643-W650 HydrophobicContact CG-CE3 4.22Å; K643-W650 HydrophobicContact CG-CZ3 4.49Å; K643-W650 WeakPolarHBondContact O-CB 3.24Å; K643-W650 PolarHBondContact O-N 3.43Å; M644-W650 VanDerWaalsContact CA-CE3 3.41Å; M644-W650 HydrophobicContact CB-CD2 4.04Å; M644-W650 HydrophobicContact CB-CE3 3.43Å; M644-W650 VanDerWaalsContact CB-CE3 3.43Å; M644-W650 HydrophobicContact CB-CH2 4.37Å; M644-W650 HydrophobicContact CB-CZ3 3.62Å; C646-W650 WeakPolarHBondContact O-CB 3.18Å; C646-W650 PolarHBondContact O-N 3.4Å; W650-L704 HydrophobicContact CH2-CD1 3.82Å; W650-L704 HydrophobicContact CH2-CD2 4.16Å; W650-L704 HydrophobicContact CZ2-CD1 4.06Å; W650-L704 HydrophobicContact CZ2-CD2 3.52Å; W650-L704 HydrophobicContact CZ2-CG 4.47Å; W650-L704 HydrophobicContact CZ3-CD1 4.48Å
651P91.2Very high92.4Very high64 Ų6469.6 Ų69.642%0.41632%0.32SS..SBendcis-86.9-17.5-7.430.5-30.7000114.2K643K643-P651 WeakPolarHBondContact CE-O 3.41Å; K643-P651 PolarHBondContact NZ-O 2.88Å
652H91.3Very high92.6Very high148 Ų14873 Ų7369%0.68534%0.336SS*.  trans-136.1125.8-176.9-60.985.2000109.9T649T649-H652 CarbonylContact O-C 3.58Å; T649-H652 PolarHBondContact O-N 3.27Å
653W91.6Very high92.6Very high77 Ų7775.2 Ų75.229%0.29235%0.349SS..  trans-89.4135.1169.5-173.5-113.7000110L639 T649 G655 R656 Q659 G660 V663L639-W653 HydrophobicContact CD2-CB 4.01Å; L639-W653 HydrophobicContact CD2-CG 4.01Å; T649-W653 HydrophobicContact CG2-CD2 4.41Å; T649-W653 HydrophobicContact CG2-CE3 3.97Å; T649-W653 HydrophobicContact CG2-CZ3 4.33Å; W653-G655 VanDerWaalsContact CD1-O 3.25Å; W653-R656 PolarHBondContact NE1-O 2.87Å; W653-R656 VanDerWaalsContact NE1-O 3.09Å; W653-Q659 HydrophobicContact CZ2-CB 4.3Å; W653-G660 VanDerWaalsContact CE2-CA 3.4Å; W653-V663 HydrophobicContact CH2-CB 4.39Å; W653-V663 HydrophobicContact CH2-CG2 3.98Å; W653-V663 HydrophobicContact CZ2-CG2 4.42Å
654K86.7Confident92.6Very high210 Ų21073.9 Ų73.991%0.91334%0.344SS*.  trans-100.5-13.7-178.8-64.2-176.7-179.1179.40113.8
655G90.4Very high92.5Very high40 Ų4072.6 Ų72.641%0.41234%0.338SS..SBendtrans-87.3-173.617900000112.8W653W653-G655 VanDerWaalsContact CD1-O 3.25Å
656R93.4Very high92.5Very high204 Ų20475.9 Ų75.977%0.7736%0.359SS*.  trans-66.6150.1171.9-66.4-175.2-179.9170.90.5110.3W653 R658 Q659 G660W653-R656 PolarHBondContact NE1-O 2.87Å; W653-R656 VanDerWaalsContact NE1-O 3.09Å; R656-R658 VanDerWaalsContact C-N 3.34Å; R656-R658 PolarHBondContact O-N 3.44Å; R656-Q659 PolarHBondContact O-N 2.95Å; R656-G660 PolarHBondContact O-N 2.77Å; R656-G660 VanDerWaalsContact O-N 3.17Å
657A93.8Very high92.5Very high13 Ų1379.8 Ų79.811%0.10738%0.38CS..Hα-helixtrans-58.6-42.9-176.200000112.7E636 L639 Q659 G660 V661E636-A657 HydrophobicContact CB-CB 4.4Å; E636-A657 HydrophobicContact CG-CB 3.78Å; L639-A657 HydrophobicContact CD2-CB 4.33Å; A657-Q659 PolarHBondContact O-N 3.32Å; A657-G660 WeakPolarHBondContact O-CA 3.49Å; A657-G660 PolarHBondContact O-N 2.79Å; A657-V661 WeakPolarHBondContact O-CG2 3.35Å; A657-V661 PolarHBondContact O-N 3.34Å
658R94.7Very high92.6Very high112 Ų11272.1 Ų72.142%0.42335%0.348SS..Hα-helixtrans-52.6-48.5175177.7174.8169.8169.7-0.3113.1Y635 R656 G660 V661 E662Y635-R658 HydrophobicContact CD1-CB 4.13Å; Y635-R658 HydrophobicContact CD1-CG 4.42Å; Y635-R658 HydrophobicContact CD2-CB 3.84Å; Y635-R658 HydrophobicContact CD2-CG 4.39Å; Y635-R658 HydrophobicContact CE1-CB 4.19Å; Y635-R658 HydrophobicContact CE1-CG 3.98Å; Y635-R658 HydrophobicContact CE2-CB 3.92Å; Y635-R658 HydrophobicContact CE2-CG 3.96Å; Y635-R658 HydrophobicContact CG-CB 3.96Å; R656-R658 VanDerWaalsContact C-N 3.34Å; R656-R658 PolarHBondContact O-N 3.44Å; R658-G660 VanDerWaalsContact C-N 3.29Å; R658-G660 PolarHBondContact O-N 3.5Å; R658-V661 PolarHBondContact O-N 3.36Å; R658-E662 PolarHBondContact O-N 3.46Å
659Q93.9Very high92.7Very high101 Ų10175.4 Ų75.447%0.47236%0.36SS..Hα-helixtrans-64.6-35.7178.7-68170.9-2100111.6W653 R656 A657 E662 V663W653-Q659 HydrophobicContact CZ2-CB 4.3Å; R656-Q659 PolarHBondContact O-N 2.95Å; A657-Q659 PolarHBondContact O-N 3.32Å; Q659-E662 PolarHBondContact O-N 2.86Å; Q659-V663 WeakPolarHBondContact O-CG2 3.19Å; Q659-V663 PolarHBondContact O-N 2.96Å
660G94.4Very high92.6Very high0 Ų076.2 Ų76.20%036%0.364CS..Hα-helixtrans-65.8-41.8175.600000112.1W653 R656 A657 R658 E662 L664W653-G660 VanDerWaalsContact CE2-CA 3.4Å; R656-G660 PolarHBondContact O-N 2.77Å; R656-G660 VanDerWaalsContact O-N 3.17Å; A657-G660 WeakPolarHBondContact O-CA 3.49Å; A657-G660 PolarHBondContact O-N 2.79Å; R658-G660 VanDerWaalsContact C-N 3.29Å; R658-G660 PolarHBondContact O-N 3.5Å; G660-E662 VanDerWaalsContact C-N 3.33Å; G660-L664 VanDerWaalsContact O-CB 3.25Å; G660-L664 WeakPolarHBondContact O-CB 3.49Å; G660-L664 PolarHBondContact O-N 3.22Å
661V95Very high92.5Very high0 Ų074.2 Ų74.20%037%0.365CS..Hα-helixtrans-65.3-37.8174.2177.50000110.9Y635 C638 L639 A657 R658 L664 M665 I682Y635-V661 HydrophobicContact CD1-CB 4.1Å; Y635-V661 HydrophobicContact CD1-CG1 4.39Å; Y635-V661 HydrophobicContact CD1-CG2 4.01Å; C638-V661 HydrophobicContact CB-CG2 4.36Å; L639-V661 HydrophobicContact CB-CG2 3.87Å; L639-V661 HydrophobicContact CD1-CG2 4.45Å; A657-V661 WeakPolarHBondContact O-CG2 3.35Å; A657-V661 PolarHBondContact O-N 3.34Å; R658-V661 PolarHBondContact O-N 3.36Å; V661-L664 WeakPolarHBondContact O-CB 3.29Å; V661-L664 PolarHBondContact O-N 3.05Å; V661-M665 HydrophobicContact CG1-CE 4.15Å; V661-M665 HydrophobicContact CG1-CG 4.22Å; V661-M665 VanDerWaalsContact O-CG 3.32Å; V661-M665 WeakPolarHBondContact O-CG 3.41Å; V661-M665 PolarHBondContact O-N 3.07Å; V661-I682 HydrophobicContact CG1-CB 4.46Å; V661-I682 HydrophobicContact CG1-CD1 4.33Å; V661-I682 HydrophobicContact CG1-CG1 4.29Å
662E93.8Very high92.3Very high88 Ų8875 Ų7541%0.41138%0.377SS..Hα-helixtrans-64.1-46.2177.7-177176.1-171.600113R658 Q659 G660 L664 M665 T666 Y677R658-E662 PolarHBondContact O-N 3.46Å; Q659-E662 PolarHBondContact O-N 2.86Å; G660-E662 VanDerWaalsContact C-N 3.33Å; E662-L664 VanDerWaalsContact C-N 3.3Å; E662-L664 PolarHBondContact O-N 3.47Å; E662-M665 PolarHBondContact O-N 3.25Å; E662-T666 WeakPolarHBondContact O-CB 3.26Å; E662-T666 PolarHBondContact O-N 3.45Å; E662-T666 PolarHBondContact O-OG1 3.44Å; E662-Y677 VanDerWaalsContact CA-OH 3.32Å; E662-Y677 WeakPolarHBondContact CA-OH 3.38Å; E662-Y677 HydrophobicContact CB-CE1 4.16Å; E662-Y677 HydrophobicContact CG-CE2 4.43Å
663V94Very high92.1Very high47 Ų4775.3 Ų75.329%0.28538%0.378SS..Hα-helixtrans-62.3-40.8174.2171.50000111N648 W653 Q659 T666 D667N648-V663 HydrophobicContact CB-CG1 4.08Å; W653-V663 HydrophobicContact CH2-CB 4.39Å; W653-V663 HydrophobicContact CH2-CG2 3.98Å; W653-V663 HydrophobicContact CZ2-CG2 4.42Å; Q659-V663 WeakPolarHBondContact O-CG2 3.19Å; Q659-V663 PolarHBondContact O-N 2.96Å; V663-T666 PolarHBondContact O-N 2.96Å; V663-D667 WeakPolarHBondContact O-CB 3.41Å; V663-D667 PolarHBondContact O-N 2.95Å
664L94.3Very high91.9Very high0 Ų074.2 Ų74.20%038%0.376CS..Hα-helixtrans-61.3-50.2177.7175.874.8000112.1Y642 L645 C646 T649 G660 V661 E662 T666 D667 L668Y642-L664 WeakPolarHBondContact O-CD1 3.4Å; L645-L664 HydrophobicContact CB-CD1 3.91Å; C646-L664 HydrophobicContact CB-CD1 3.65Å; T649-L664 HydrophobicContact CG2-CB 4.47Å; G660-L664 VanDerWaalsContact O-CB 3.25Å; G660-L664 WeakPolarHBondContact O-CB 3.49Å; G660-L664 PolarHBondContact O-N 3.22Å; V661-L664 WeakPolarHBondContact O-CB 3.29Å; V661-L664 PolarHBondContact O-N 3.05Å; E662-L664 VanDerWaalsContact C-N 3.3Å; E662-L664 PolarHBondContact O-N 3.47Å; L664-T666 VanDerWaalsContact C-N 3.3Å; L664-T666 PolarHBondContact O-N 3.16Å; L664-D667 PolarHBondContact O-N 3.48Å; L664-L668 HydrophobicContact CD1-CD1 3.91Å; L664-L668 HydrophobicContact CG-CD1 3.98Å; L664-L668 WeakPolarHBondContact O-CB 3.47Å; L664-L668 WeakPolarHBondContact O-CG 3.45Å; L664-L668 PolarHBondContact O-N 3.17Å
665M93.4Very high92.2Very high0 Ų065 Ų650%034%0.336CS..Hα-helixtrans-64.2-37.3-179.9-67.2-57.9-173.500111.6V661 E662 Q669 V670 F675 I682 L693V661-M665 HydrophobicContact CG1-CE 4.15Å; V661-M665 HydrophobicContact CG1-CG 4.22Å; V661-M665 VanDerWaalsContact O-CG 3.32Å; V661-M665 WeakPolarHBondContact O-CG 3.41Å; V661-M665 PolarHBondContact O-N 3.07Å; E662-M665 PolarHBondContact O-N 3.25Å; M665-Q669 PolarHBondContact O-N 3.5Å; M665-V670 PolarHBondContact O-N 2.66Å; M665-V670 VanDerWaalsContact O-N 3.16Å; M665-V670 HydrophobicContact SD-CG2 4.18Å; M665-F675 HydrophobicContact CB-CE1 4.21Å; M665-F675 HydrophobicContact CB-CZ 4.07Å; M665-I682 HydrophobicContact CE-CG1 4.25Å; M665-L693 HydrophobicContact CE-CD1 3.93Å; M665-L693 HydrophobicContact SD-CD1 4.33Å; M665-L693 HydrophobicContact SD-CD2 4.49Å
666T92.5Very high92.3Very high99 Ų9964.8 Ų64.861%0.60733%0.329SS*.Hα-helixtrans-67.3-45.7177.7-53.70000111.9E662 V663 L664 L668 Q669E662-T666 WeakPolarHBondContact O-CB 3.26Å; E662-T666 PolarHBondContact O-N 3.45Å; E662-T666 PolarHBondContact O-OG1 3.44Å; V663-T666 PolarHBondContact O-N 2.96Å; L664-T666 VanDerWaalsContact C-N 3.3Å; L664-T666 PolarHBondContact O-N 3.16Å; T666-L668 VanDerWaalsContact C-N 3.29Å; T666-L668 PolarHBondContact O-N 3.26Å; T666-Q669 PolarHBondContact O-N 2.95Å; T666-Q669 VanDerWaalsContact O-N 3.08Å
667D92.5Very high92.3Very high81 Ų8157.8 Ų57.843%0.43330%0.303SS..Hα-helixtrans-63.7-35.9178.1-171.771.4000112C646 V663 L664 Q669C646-D667 HydrophobicContact CB-CB 4.2Å; C646-D667 WeakPolarHBondContact CB-OD2 3.26Å; C646-D667 PolarHBondContact SG-OD2 3.35Å; V663-D667 WeakPolarHBondContact O-CB 3.41Å; V663-D667 PolarHBondContact O-N 2.95Å; L664-D667 PolarHBondContact O-N 3.48Å; D667-Q669 PolarHBondContact O-N 3.11Å
668L91.9Very high92.3Very high30 Ų3057.2 Ų57.216%0.15730%0.298CS..THydrogen-bonded Turntrans-77-4.7175.4-71.9168.5000113.9L645 L664 T666 V670 L693L645-L668 HydrophobicContact CB-CD1 4.16Å; L645-L668 HydrophobicContact CB-CD2 4.26Å; L645-L668 HydrophobicContact CD1-CD1 3.88Å; L664-L668 HydrophobicContact CD1-CD1 3.91Å; L664-L668 HydrophobicContact CG-CD1 3.98Å; L664-L668 WeakPolarHBondContact O-CB 3.47Å; L664-L668 WeakPolarHBondContact O-CG 3.45Å; L664-L668 PolarHBondContact O-N 3.17Å; T666-L668 VanDerWaalsContact C-N 3.29Å; T666-L668 PolarHBondContact O-N 3.26Å; L668-V670 VanDerWaalsContact C-N 3.26Å; L668-V670 HydrophobicContact CB-CG2 4.05Å; L668-V670 PolarHBondContact O-N 3.14Å; L668-L693 HydrophobicContact CD1-CD2 3.52Å
669Q91.8Very high92.2Very high171 Ų17160.6 Ų60.680%0.79931%0.311SS*.THydrogen-bonded Turntrans56.736.9-179.8-56.3177.3-3.200113.2M665 T666 D667M665-Q669 PolarHBondContact O-N 3.5Å; T666-Q669 PolarHBondContact O-N 2.95Å; T666-Q669 VanDerWaalsContact O-N 3.08Å; D667-Q669 PolarHBondContact O-N 3.11Å
670V90.8Very high92.2Very high16 Ų1658.3 Ų58.310%0.09731%0.306CS..  trans-72.2130.1174.5-177.20000108.9M665 L668 A672 E674 F675 T689 F692M665-V670 PolarHBondContact O-N 2.66Å; M665-V670 VanDerWaalsContact O-N 3.16Å; M665-V670 HydrophobicContact SD-CG2 4.18Å; L668-V670 VanDerWaalsContact C-N 3.26Å; L668-V670 HydrophobicContact CB-CG2 4.05Å; L668-V670 PolarHBondContact O-N 3.14Å; V670-A672 PolarHBondContact O-N 2.95Å; V670-E674 HydrophobicContact CG1-CB 4.38Å; V670-F675 HydrophobicContact CB-CD1 4.39Å; V670-F675 HydrophobicContact CB-CE1 4.08Å; V670-F675 HydrophobicContact CG1-CD1 3.75Å; V670-F675 HydrophobicContact CG1-CE1 3.89Å; V670-T689 HydrophobicContact CG1-CG2 3.43Å; V670-T689 VanDerWaalsContact CG1-CG2 3.43Å; V670-F692 HydrophobicContact CG2-CE1 4.38Å
671P90.9Very high92.1Very high58 Ų5861 Ų6138%0.37732%0.318SS..  trans-59.7137178.4-22.432.7000112.1E673 E674 F675P671-E673 HydrophobicContact CB-CG 3.96Å; P671-E673 PolarHBondContact O-N 2.74Å; P671-E673 VanDerWaalsContact O-N 3.14Å; P671-E674 HydrophobicContact CB-CG 4.25Å; P671-E674 HydrophobicContact CG-CG 4.43Å; P671-E674 PolarHBondContact O-N 3.21Å; P671-F675 WeakPolarHBondContact O-CD1 3.3Å; P671-F675 VanDerWaalsContact O-CE1 3.31Å; P671-F675 WeakPolarHBondContact O-CE1 3.26Å
672A86.8Confident92Very high81 Ų8161 Ų6167%0.66932%0.318SS*.G310 helixtrans-64.5-18.8-177.200000113.9V670 E674V670-A672 PolarHBondContact O-N 2.95Å; A672-E674 VanDerWaalsContact C-N 3.33Å
673E87.3Confident92Very high153 Ų15356.9 Ų56.972%0.71530%0.298SS*.G310 helixtrans-76.5-17.6175.961.7-167.4176.500113.7P671P671-E673 HydrophobicContact CB-CG 3.96Å; P671-E673 PolarHBondContact O-N 2.74Å; P671-E673 VanDerWaalsContact O-N 3.14Å
674E88.3Confident91.8Very high55 Ų5554.7 Ų54.726%0.25729%0.285SS..G310 helixtrans-86.2-10.1-178.6-67.4-164.3157.400113.5V670 P671 A672 R685 T689V670-E674 HydrophobicContact CG1-CB 4.38Å; P671-E674 HydrophobicContact CB-CG 4.25Å; P671-E674 HydrophobicContact CG-CG 4.43Å; P671-E674 PolarHBondContact O-N 3.21Å; A672-E674 VanDerWaalsContact C-N 3.33Å; E674-R685 WeakPolarHBondContact O-CB 3.46Å; E674-R685 PolarHBondContact O-N 3.16Å; E674-T689 HydrophobicContact CB-CG2 4.36Å; E674-T689 WeakPolarHBondContact OE2-CB 3.49Å; E674-T689 WeakPolarHBondContact OE2-CG2 3.31Å; E674-T689 PolarHBondContact OE2-OG1 3.5Å
675F91.8Very high91.4Very high17 Ų1760 Ų608%0.07531%0.305CS..EExtended strand (participates in β ladder)trans-145.3165.8-179.864.9-92.8000112.7M665 V670 P671 Y677 I682 F683M665-F675 HydrophobicContact CB-CE1 4.21Å; M665-F675 HydrophobicContact CB-CZ 4.07Å; V670-F675 HydrophobicContact CB-CD1 4.39Å; V670-F675 HydrophobicContact CB-CE1 4.08Å; V670-F675 HydrophobicContact CG1-CD1 3.75Å; V670-F675 HydrophobicContact CG1-CE1 3.89Å; P671-F675 WeakPolarHBondContact O-CD1 3.3Å; P671-F675 VanDerWaalsContact O-CE1 3.31Å; P671-F675 WeakPolarHBondContact O-CE1 3.26Å; F675-Y677 HydrophobicContact CD2-CE1 4.47Å; F675-Y677 HydrophobicContact CD2-CE2 4.13Å; F675-Y677 HydrophobicContact CE2-CD2 4.29Å; F675-Y677 HydrophobicContact CE2-CE1 4.28Å; F675-Y677 AromaticContact CE2-CE2 3.46Å; F675-Y677 HydrophobicContact CE2-CE2 3.46Å; F675-Y677 VanDerWaalsContact CE2-CE2 3.46Å; F675-Y677 AromaticContact CE2-CZ 3.41Å; F675-Y677 VanDerWaalsContact CE2-CZ 3.41Å; F675-Y677 WeakPolarHBondContact CE2-OH 3.39Å; F675-Y677 HydrophobicContact CZ-CE2 4.48Å; F675-I682 HydrophobicContact CB-CD1 4.41Å; F675-I682 HydrophobicContact CD2-CD1 4.05Å; F675-F683 CarbonylContact C-O 3.57Å; F675-F683 WeakPolarHBondContact CA-O 3.24Å; F675-F683 WeakPolarHBondContact CB-O 3.4Å
676S92.5Very high91Very high35 Ų3561.9 Ų61.925%0.24532%0.315CS..EExtended strand (participates in β ladder)trans-146.4146.1172.1-80.40000112.2Y629 F683Y629-S676 VanDerWaalsContact OH-CB 3.24Å; Y629-S676 WeakPolarHBondContact OH-CB 3.35Å; Y629-S676 PolarHBondContact OH-OG 3.3Å; S676-F683 PolarHBondContact N-O 2.66Å; S676-F683 PolarHBondContact O-N 2.72Å
677Y93.9Very high90.7Very high57 Ų5757.1 Ų57.122%0.22429%0.286CS..EExtended strand (participates in β ladder)trans-91.2106.9-177.5-64.7-70000110.9Y635 E662 F675 I682Y635-Y677 AromaticContact CE1-CD1 3.98Å; Y635-Y677 HydrophobicContact CE1-CD1 3.98Å; Y635-Y677 VanDerWaalsContact OH-CA 3.26Å; Y635-Y677 WeakPolarHBondContact OH-CA 3.37Å; Y635-Y677 WeakPolarHBondContact OH-CB 3.36Å; E662-Y677 VanDerWaalsContact CA-OH 3.32Å; E662-Y677 WeakPolarHBondContact CA-OH 3.38Å; E662-Y677 HydrophobicContact CB-CE1 4.16Å; E662-Y677 HydrophobicContact CG-CE2 4.43Å; F675-Y677 HydrophobicContact CD2-CE1 4.47Å; F675-Y677 HydrophobicContact CD2-CE2 4.13Å; F675-Y677 HydrophobicContact CE2-CD2 4.29Å; F675-Y677 HydrophobicContact CE2-CE1 4.28Å; F675-Y677 AromaticContact CE2-CE2 3.46Å; F675-Y677 HydrophobicContact CE2-CE2 3.46Å; F675-Y677 VanDerWaalsContact CE2-CE2 3.46Å; F675-Y677 AromaticContact CE2-CZ 3.41Å; F675-Y677 VanDerWaalsContact CE2-CZ 3.41Å; F675-Y677 WeakPolarHBondContact CE2-OH 3.39Å; F675-Y677 HydrophobicContact CZ-CE2 4.48Å; Y677-I682 HydrophobicContact CD1-CD1 3.63Å; Y677-I682 HydrophobicContact CE1-CD1 3.66Å; Y677-I682 HydrophobicContact CG-CD1 4.47Å
678G93.8Very high90.5Very high1 Ų160.5 Ų60.51%0.0129%0.292CS..  trans-75.5180168.600000112.1E427 Y635 K681E427-G678 CarbonylContact O-C 3.59Å; E427-G678 VanDerWaalsContact O-CA 3.31Å; E427-G678 WeakPolarHBondContact O-CA 3.26Å; Y635-G678 WeakPolarHBondContact CE2-O 3.42Å; Y635-G678 PolarHBondContact OH-N 3.08Å; Y635-G678 VanDerWaalsContact OH-N 3.16Å; Y635-G678 PolarHBondContact OH-O 2.99Å; G678-K681 VanDerWaalsContact CA-O 3.26Å; G678-K681 WeakPolarHBondContact CA-O 3.4Å; G678-K681 PolarHBondContact N-O 2.55Å
679R93.8Very high90.4Very high183 Ų18359.2 Ų59.269%0.69129%0.286SS*.SBendtrans-65.4-43.5174.6-72.8-179.7-175.5178.6-1.1112.1R426 E427R426-R679 WeakPolarHBondContact O-CD 3.47Å; E427-R679 WeakPolarHBondContact O-CG 3.4Å; E427-R679 PolarHBondContact O-N 2.73Å; E427-R679 PolarHBondContact OE2-N 3.02Å
680S92.4Very high90.4Very high53 Ų5351 Ų5137%0.37125%0.248SC..SBendtrans-123.3-17.3-176.883.30000114.3E427 Y635E427-S680 PolarHBondContact OE1-OG 3.07Å; E427-S680 PolarHBondContact OE2-N 2.97Å; E427-S680 PolarHBondContact OE2-OG 3.03Å; Y635-S680 WeakPolarHBondContact CD2-O 3.4Å; Y635-S680 VanDerWaalsContact CE2-C 3.42Å; Y635-S680 PolarHBondContact N-O 3.09Å
681K93.2Very high90.3Very high57 Ų5753.7 Ų53.725%0.24826%0.258CS..EExtended strand (participates in β ladder)trans-125.2151.4-176-61.2171.6-168.5174.10112.7E423 E427 Q633 A634 Y635 G678 F683E423-K681 IonicContact OE1-NZ 3.78Å; E423-K681 PolarHBondContact OE1-NZ 3.16Å; E427-K681 PolarHBondContact OE2-N 2.81Å; E427-K681 VanDerWaalsContact OE2-N 3.11Å; Q633-K681 CarbonylContact O-C 3.56Å; Q633-K681 WeakPolarHBondContact O-CA 3.47Å; Q633-K681 VanDerWaalsContact O-CB 3.32Å; Q633-K681 WeakPolarHBondContact O-CB 3.33Å; A634-K681 HydrophobicContact CB-CG 4.45Å; Y635-K681 VanDerWaalsContact CZ-O 3.31Å; Y635-K681 PolarHBondContact OH-O 3.5Å; Y635-K681 VanDerWaalsContact OH-O 3.14Å; G678-K681 VanDerWaalsContact CA-O 3.26Å; G678-K681 WeakPolarHBondContact CA-O 3.4Å; G678-K681 PolarHBondContact N-O 2.55Å; K681-F683 HydrophobicContact CB-CD2 4.35Å; K681-F683 HydrophobicContact CB-CE2 3.86Å
682I93.4Very high90.3Very high0 Ų054.8 Ų54.80%026%0.257CS..EExtended strand (participates in β ladder)trans-87.2138.6163-17368.6000109R632 Q633 Y635 C638 V661 M665 F675 Y677R632-I682 VanDerWaalsContact CA-O 3.26Å; R632-I682 WeakPolarHBondContact CA-O 3.39Å; Q633-I682 HydrophobicContact CB-CG2 4.44Å; Q633-I682 PolarHBondContact N-O 3.22Å; Q633-I682 WeakPolarHBondContact O-CG2 3.28Å; Q633-I682 PolarHBondContact O-N 3.09Å; Y635-I682 HydrophobicContact CD1-CB 4.2Å; Y635-I682 HydrophobicContact CE1-CB 3.85Å; Y635-I682 HydrophobicContact CE1-CD1 4.38Å; C638-I682 HydrophobicContact CB-CG2 4.09Å; V661-I682 HydrophobicContact CG1-CB 4.46Å; V661-I682 HydrophobicContact CG1-CD1 4.33Å; V661-I682 HydrophobicContact CG1-CG1 4.29Å; M665-I682 HydrophobicContact CE-CG1 4.25Å; F675-I682 HydrophobicContact CB-CD1 4.41Å; F675-I682 HydrophobicContact CD2-CD1 4.05Å; Y677-I682 HydrophobicContact CD1-CD1 3.63Å; Y677-I682 HydrophobicContact CE1-CD1 3.66Å; Y677-I682 HydrophobicContact CG-CD1 4.47Å
683F92.1Very high90.6Very high0 Ų051 Ų510%023%0.225CC..EExtended strand (participates in β ladder)trans-116.3129.8177.8-75-102.4000109.4Y424 E427 I429 Y629 R632 F675 S676 K681Y424-F683 HydrophobicContact CD1-CE1 4.25Å; Y424-F683 HydrophobicContact CE1-CE1 4.01Å; E427-F683 HydrophobicContact CB-CE2 3.73Å; E427-F683 HydrophobicContact CB-CZ 3.88Å; E427-F683 HydrophobicContact CG-CE2 3.77Å; E427-F683 HydrophobicContact CG-CZ 3.76Å; I429-F683 HydrophobicContact CD1-CD2 4.13Å; I429-F683 HydrophobicContact CG1-CD2 3.98Å; I429-F683 HydrophobicContact CG1-CE2 3.95Å; I429-F683 HydrophobicContact CG1-CG 4.41Å; I429-F683 HydrophobicContact CG1-CZ 4.35Å; Y629-F683 HydrophobicContact CD1-CB 3.58Å; Y629-F683 HydrophobicContact CD2-CB 4.02Å; Y629-F683 AromaticContact CD2-CD1 3.96Å; Y629-F683 HydrophobicContact CD2-CD1 3.96Å; Y629-F683 HydrophobicContact CD2-CG 4.35Å; Y629-F683 HydrophobicContact CE1-CB 4.06Å; Y629-F683 HydrophobicContact CE2-CB 4.48Å; Y629-F683 HydrophobicContact CG-CB 3.58Å; Y629-F683 AromaticContact CG-CD1 3.96Å; Y629-F683 HydrophobicContact CG-CD1 3.96Å; Y629-F683 HydrophobicContact CG-CG 4.24Å; R632-F683 HydrophobicContact CB-CD1 3.87Å; R632-F683 HydrophobicContact CB-CE1 3.94Å; R632-F683 HydrophobicContact CB-CG 4.28Å; R632-F683 HydrophobicContact CB-CZ 4.39Å; R632-F683 HydrophobicContact CG-CE1 4.48Å; F675-F683 CarbonylContact C-O 3.57Å; F675-F683 WeakPolarHBondContact CA-O 3.24Å; F675-F683 WeakPolarHBondContact CB-O 3.4Å; S676-F683 PolarHBondContact N-O 2.66Å; S676-F683 PolarHBondContact O-N 2.72Å; K681-F683 HydrophobicContact CB-CD2 4.35Å; K681-F683 HydrophobicContact CB-CE2 3.86Å
684I90.9Very high90.8Very high2 Ų244.9 Ų44.91%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-118.5126.9-179.4-60.1179.6000108.6Y629 A630 F631 N686 T689 L690 L693Y629-I684 CarbonylContact C-O 3.52Å; A630-I684 PolarHBondContact N-O 3.3Å; F631-I684 HydrophobicContact CB-CB 4.27Å; F631-I684 HydrophobicContact CD1-CB 4.48Å; F631-I684 HydrophobicContact CD1-CD1 3.96Å; F631-I684 HydrophobicContact CD1-CG1 4.36Å; F631-I684 PolarHBondContact N-O 3.25Å; F631-I684 PolarHBondContact O-N 2.7Å; I684-N686 WeakPolarHBondContact CG2-O 3.31Å; I684-T689 HydrophobicContact CG2-CG2 4.17Å; I684-L690 HydrophobicContact CD1-CD1 4.4Å; I684-L693 HydrophobicContact CD1-CD1 4.19Å
685R85.6Confident91Very high110 Ų11048 Ų4842%0.41521%0.212SC..SBendtrans-79.5-51.3-171.2-159.3175.1-152.9170.97.6111.6Y629 A630 E674Y629-R685 HydrophobicContact CD1-CB 3.95Å; Y629-R685 HydrophobicContact CD1-CG 4.41Å; Y629-R685 HydrophobicContact CE1-CB 4.15Å; A630-R685 VanDerWaalsContact CB-O 3.3Å; A630-R685 WeakPolarHBondContact CB-O 3.26Å; A630-R685 PolarHBondContact N-O 3.45Å; E674-R685 WeakPolarHBondContact O-CB 3.46Å; E674-R685 PolarHBondContact O-N 3.16Å
686N84.3Confident91Very high40 Ų4051.3 Ų51.321%0.21423%0.226CC..  trans-103.9130.6-177.5-162.4-40.1000111.1I684 R688 T689I684-N686 WeakPolarHBondContact CG2-O 3.31Å; N686-R688 PolarHBondContact O-N 3.33Å; N686-R688 VanDerWaalsContact O-N 3.11Å; N686-R688 WeakPolarHBondContact OD1-CB 3.07Å; N686-R688 VanDerWaalsContact OD1-CG 3.27Å; N686-R688 WeakPolarHBondContact OD1-CG 3.33Å; N686-R688 PolarHBondContact OD1-N 2.98Å; N686-T689 WeakPolarHBondContact O-CB 3.36Å; N686-T689 PolarHBondContact O-N 2.82Å; N686-T689 VanDerWaalsContact O-N 3.16Å; N686-T689 PolarHBondContact O-OG1 3.23Å
687P87.2Confident91.1Very high0 Ų051.4 Ų51.40%022%0.221CC..Hα-helixtrans-55-27.2173.2-2735.4000114.2L19 A630 T689 L690 F691L19-P687 HydrophobicContact CB-CB 4.24Å; L19-P687 HydrophobicContact CD2-CB 4.31Å; L19-P687 HydrophobicContact CD2-CG 4.39Å; L19-P687 VanDerWaalsContact O-CB 3.28Å; L19-P687 WeakPolarHBondContact O-CB 3.38Å; A630-P687 HydrophobicContact CB-CG 3.83Å; P687-T689 VanDerWaalsContact C-N 3.26Å; P687-T689 PolarHBondContact O-N 2.91Å; P687-L690 WeakPolarHBondContact O-CB 3.48Å; P687-L690 PolarHBondContact O-N 2.92Å; P687-L690 VanDerWaalsContact O-N 3.1Å; P687-F691 HydrophobicContact CB-CD2 4.29Å; P687-F691 HydrophobicContact CB-CE2 4.14Å; P687-F691 WeakPolarHBondContact O-CD2 3.5Å; P687-F691 PolarHBondContact O-N 2.84Å
688R87.9Confident91Very high151 Ų15155.5 Ų55.557%0.5724%0.24SC*.Hα-helixtrans-54.7-41.8176.9-67.7176.5-167.4-171.73.5112.2E21 N686 F691 F692E21-R688 HydrophobicContact CG-CG 4.15Å; E21-R688 IonicContact OE1-CZ 2.84Å; E21-R688 IonicContact OE1-NE 3.42Å; E21-R688 PolarHBondContact OE1-NE 3.31Å; E21-R688 IonicContact OE1-NH2 2.86Å; E21-R688 PolarHBondContact OE1-NH2 3.37Å; N686-R688 PolarHBondContact O-N 3.33Å; N686-R688 VanDerWaalsContact O-N 3.11Å; N686-R688 WeakPolarHBondContact OD1-CB 3.07Å; N686-R688 VanDerWaalsContact OD1-CG 3.27Å; N686-R688 WeakPolarHBondContact OD1-CG 3.33Å; N686-R688 PolarHBondContact OD1-N 2.98Å; R688-F691 PolarHBondContact O-N 2.94Å; R688-F692 WeakPolarHBondContact O-CB 3.31Å; R688-F692 PolarHBondContact O-N 3.14Å
689T90.6Very high90.9Very high3 Ų359.7 Ų59.72%0.01826%0.259CS..Hα-helixtrans-63-43178-40.20000111.2V670 E674 I684 N686 P687 F692 L693V670-T689 HydrophobicContact CG1-CG2 3.43Å; V670-T689 VanDerWaalsContact CG1-CG2 3.43Å; E674-T689 HydrophobicContact CB-CG2 4.36Å; E674-T689 WeakPolarHBondContact OE2-CB 3.49Å; E674-T689 WeakPolarHBondContact OE2-CG2 3.31Å; E674-T689 PolarHBondContact OE2-OG1 3.5Å; I684-T689 HydrophobicContact CG2-CG2 4.17Å; N686-T689 WeakPolarHBondContact O-CB 3.36Å; N686-T689 PolarHBondContact O-N 2.82Å; N686-T689 VanDerWaalsContact O-N 3.16Å; N686-T689 PolarHBondContact O-OG1 3.23Å; P687-T689 VanDerWaalsContact C-N 3.26Å; P687-T689 PolarHBondContact O-N 2.91Å; T689-F692 WeakPolarHBondContact O-CB 3.35Å; T689-F692 PolarHBondContact O-N 3.03Å; T689-L693 WeakPolarHBondContact O-CG 3.3Å; T689-L693 PolarHBondContact O-N 3.15Å; T689-L693 VanDerWaalsContact O-N 3.08Å
690L90.4Very high90.9Very high0 Ų052 Ų520%023%0.233CC..Hα-helixtrans-64.3-46.2177179.366.7000111.5L8 L19 F631 Y642 I684 P687 F692 L693 E694L8-L690 HydrophobicContact CD1-CD1 4.14Å; L8-L690 HydrophobicContact CD1-CD2 4.19Å; L8-L690 HydrophobicContact CD1-CG 4.38Å; L8-L690 HydrophobicContact CD2-CD2 4.4Å; L19-L690 HydrophobicContact CD1-CD2 3.93Å; L19-L690 HydrophobicContact CD2-CD2 3.84Å; F631-L690 HydrophobicContact CB-CD2 4.13Å; F631-L690 HydrophobicContact CD1-CD1 3.95Å; F631-L690 HydrophobicContact CD1-CD2 4.25Å; F631-L690 HydrophobicContact CD2-CD2 3.58Å; F631-L690 HydrophobicContact CE1-CD1 3.83Å; F631-L690 HydrophobicContact CE2-CD1 4.41Å; F631-L690 HydrophobicContact CE2-CD2 3.97Å; F631-L690 HydrophobicContact CG-CD1 4.29Å; F631-L690 HydrophobicContact CG-CD2 3.72Å; F631-L690 HydrophobicContact CZ-CD1 4.07Å; F631-L690 HydrophobicContact CZ-CD2 4.45Å; Y642-L690 WeakPolarHBondContact OH-CD1 3.28Å; I684-L690 HydrophobicContact CD1-CD1 4.4Å; P687-L690 WeakPolarHBondContact O-CB 3.48Å; P687-L690 PolarHBondContact O-N 2.92Å; P687-L690 VanDerWaalsContact O-N 3.1Å; L690-F692 VanDerWaalsContact C-N 3.3Å; L690-F692 PolarHBondContact O-N 3.17Å; L690-L693 WeakPolarHBondContact O-CB 3.33Å; L690-L693 PolarHBondContact O-N 2.86Å; L690-L693 VanDerWaalsContact O-N 3.17Å; L690-E694 PolarHBondContact O-N 2.82Å
691F89.6Confident90.9Very high72 Ų7252.8 Ų52.832%0.31623%0.233SC..Hα-helixtrans-64.6-35.2177.6-74.6-62.8000112.5M11 V14 L19 P687 R688 E694 E695M11-F691 HydrophobicContact CE-CE1 3.77Å; M11-F691 HydrophobicContact CE-CZ 4.07Å; V14-F691 HydrophobicContact CG2-CZ 4.48Å; L19-F691 HydrophobicContact CB-CE2 4.28Å; L19-F691 HydrophobicContact CB-CZ 4.3Å; L19-F691 WeakPolarHBondContact O-CE2 3.39Å; P687-F691 HydrophobicContact CB-CD2 4.29Å; P687-F691 HydrophobicContact CB-CE2 4.14Å; P687-F691 WeakPolarHBondContact O-CD2 3.5Å; P687-F691 PolarHBondContact O-N 2.84Å; R688-F691 PolarHBondContact O-N 2.94Å; F691-E694 PolarHBondContact O-N 2.69Å; F691-E695 WeakPolarHBondContact O-CB 3.44Å; F691-E695 PolarHBondContact O-N 2.71Å
692F91.7Very high91Very high80 Ų8056 Ų5635%0.35125%0.249SC..Hα-helixtrans-59.1-45.5171.5169.6-101.5000111.8V670 R688 T689 L690 E695 K696V670-F692 HydrophobicContact CG2-CE1 4.38Å; R688-F692 WeakPolarHBondContact O-CB 3.31Å; R688-F692 PolarHBondContact O-N 3.14Å; T689-F692 WeakPolarHBondContact O-CB 3.35Å; T689-F692 PolarHBondContact O-N 3.03Å; L690-F692 VanDerWaalsContact C-N 3.3Å; L690-F692 PolarHBondContact O-N 3.17Å; F692-E695 PolarHBondContact O-N 2.82Å; F692-K696 HydrophobicContact CD2-CG 4.49Å; F692-K696 HydrophobicContact CE1-CG 4.5Å; F692-K696 HydrophobicContact CE2-CG 4.16Å; F692-K696 HydrophobicContact CZ-CG 4.17Å; F692-K696 WeakPolarHBondContact O-CB 3.21Å; F692-K696 VanDerWaalsContact O-CG 3.32Å; F692-K696 WeakPolarHBondContact O-CG 3.5Å; F692-K696 PolarHBondContact O-N 2.69Å
693L92.3Very high91Very high1 Ų161.2 Ų61.21%0.00528%0.277CS..Hα-helixtrans-62.7-43.3175.7-64.8174.8000112.1Y642 L645 M665 L668 I684 T689 L690 R697Y642-L693 HydrophobicContact CD1-CB 4.14Å; Y642-L693 HydrophobicContact CE1-CB 3.78Å; L645-L693 HydrophobicContact CD1-CD2 4.25Å; M665-L693 HydrophobicContact CE-CD1 3.93Å; M665-L693 HydrophobicContact SD-CD1 4.33Å; M665-L693 HydrophobicContact SD-CD2 4.49Å; L668-L693 HydrophobicContact CD1-CD2 3.52Å; I684-L693 HydrophobicContact CD1-CD1 4.19Å; T689-L693 WeakPolarHBondContact O-CG 3.3Å; T689-L693 PolarHBondContact O-N 3.15Å; T689-L693 VanDerWaalsContact O-N 3.08Å; L690-L693 WeakPolarHBondContact O-CB 3.33Å; L690-L693 PolarHBondContact O-N 2.86Å; L690-L693 VanDerWaalsContact O-N 3.17Å; L693-R697 VanDerWaalsContact O-CB 3.29Å; L693-R697 WeakPolarHBondContact O-CB 3.42Å; L693-R697 PolarHBondContact O-N 2.91Å
694E91.4Very high91.1Very high26 Ų2662.8 Ų62.812%0.12129%0.285CS..Hα-helixtrans-65.6-40.3177.9-76.9-62.7159.500113L8 R641 Y642 L690 F691 R697 K698L8-E694 HydrophobicContact CD1-CG 4.14Å; L8-E694 WeakPolarHBondContact CD1-OE1 3.46Å; R641-E694 IonicContact CZ-OE1 3.46Å; R641-E694 IonicContact CZ-OE2 2.76Å; R641-E694 IonicContact NE-OE1 2.82Å; R641-E694 PolarHBondContact NE-OE1 3.34Å; R641-E694 IonicContact NE-OE2 3.81Å; R641-E694 IonicContact NH2-OE1 2.7Å; R641-E694 PolarHBondContact NH2-OE1 2.83Å; R641-E694 IonicContact NH2-OE2 2.78Å; R641-E694 PolarHBondContact NH2-OE2 3.49Å; Y642-E694 PolarHBondContact OH-OE1 3.28Å; L690-E694 PolarHBondContact O-N 2.82Å; F691-E694 PolarHBondContact O-N 2.69Å; E694-R697 WeakPolarHBondContact O-CB 3.37Å; E694-R697 PolarHBondContact O-N 3.14Å; E694-R697 IonicContact OE2-NH1 2.69Å; E694-K698 WeakPolarHBondContact O-CB 3.32Å; E694-K698 PolarHBondContact O-N 3.16Å
695E91.3Very high91.3Very high121 Ų12164.7 Ų64.757%0.56530%0.301SS*.Hα-helixtrans-65.6-45177.8-170.8176.2-176.600111.1F691 F692 R697 K698 Q699F691-E695 WeakPolarHBondContact O-CB 3.44Å; F691-E695 PolarHBondContact O-N 2.71Å; F692-E695 PolarHBondContact O-N 2.82Å; E695-R697 VanDerWaalsContact C-N 3.27Å; E695-R697 PolarHBondContact O-N 3.15Å; E695-K698 PolarHBondContact O-N 2.76Å; E695-Q699 WeakPolarHBondContact O-CG 3.39Å; E695-Q699 PolarHBondContact O-N 3Å; E695-Q699 VanDerWaalsContact O-N 3.08Å
696K92.6Very high91.8Very high85 Ų8562.9 Ų62.937%0.3730%0.303SS..Hα-helixtrans-59.7-39.8172.3-72-69.2-177.9-176.80111.7L645 F692 Q699 C700L645-K696 HydrophobicContact CD1-CB 4.24Å; L645-K696 VanDerWaalsContact CD2-C 3.46Å; L645-K696 HydrophobicContact CD2-CB 3.81Å; L645-K696 WeakPolarHBondContact CD2-O 3.37Å; F692-K696 HydrophobicContact CD2-CG 4.49Å; F692-K696 HydrophobicContact CE1-CG 4.5Å; F692-K696 HydrophobicContact CE2-CG 4.16Å; F692-K696 HydrophobicContact CZ-CG 4.17Å; F692-K696 WeakPolarHBondContact O-CB 3.21Å; F692-K696 VanDerWaalsContact O-CG 3.32Å; F692-K696 WeakPolarHBondContact O-CG 3.5Å; F692-K696 PolarHBondContact O-N 2.69Å; K696-Q699 PolarHBondContact O-N 2.75Å; K696-C700 WeakPolarHBondContact O-CB 3.33Å; K696-C700 PolarHBondContact O-N 2.78Å
697R93.9Very high92.4Very high38 Ų3864.5 Ų64.514%0.14331%0.311CS..Hα-helixtrans-64.4-45.2177.7179.7-178.8176.5-95.2-0.8110.8D9 R641 Y642 M644 L645 L693 E694 E695 Q699 C700 L701D9-R697 IonicContact OD1-NH1 3.45Å; D9-R697 PolarHBondContact OD1-NH1 3.36Å; R641-R697 VanDerWaalsContact NH2-NH1 3.15Å; R641-R697 WeakPolarHBondContact O-CD 3.42Å; R641-R697 PolarHBondContact O-NE 3.11Å; R641-R697 VanDerWaalsContact O-NE 3.11Å; Y642-R697 HydrophobicContact CD1-CB 4.33Å; Y642-R697 HydrophobicContact CE1-CB 4.49Å; M644-R697 HydrophobicContact SD-CG 4.21Å; L645-R697 HydrophobicContact CD2-CB 4.22Å; L693-R697 VanDerWaalsContact O-CB 3.29Å; L693-R697 WeakPolarHBondContact O-CB 3.42Å; L693-R697 PolarHBondContact O-N 2.91Å; E694-R697 WeakPolarHBondContact O-CB 3.37Å; E694-R697 PolarHBondContact O-N 3.14Å; E694-R697 IonicContact OE2-NH1 2.69Å; E695-R697 VanDerWaalsContact C-N 3.27Å; E695-R697 PolarHBondContact O-N 3.15Å; R697-Q699 VanDerWaalsContact C-N 3.33Å; R697-Q699 PolarHBondContact O-N 2.72Å; R697-C700 PolarHBondContact O-N 2.98Å; R697-L701 HydrophobicContact CG-CD1 4.3Å; R697-L701 HydrophobicContact CG-CG 4.44Å; R697-L701 WeakPolarHBondContact O-CG 3.4Å; R697-L701 PolarHBondContact O-N 3.02Å
698K91.8Very high92.8Very high143 Ų14370.4 Ų70.462%0.62234%0.341SS*.Hα-helixtrans-58.2-45.6178-170.6177.3179.5-179.20111.5E694 E695 L701 E702E694-K698 WeakPolarHBondContact O-CB 3.32Å; E694-K698 PolarHBondContact O-N 3.16Å; E695-K698 PolarHBondContact O-N 2.76Å; K698-L701 PolarHBondContact O-N 3.49Å; K698-E702 PolarHBondContact O-N 3.15Å
699Q92.8Very high93.3Very high88 Ų8867.9 Ų67.941%0.41134%0.336SS..Hα-helixtrans-60.6-47.3174.4-67.2170.55.800111.5E695 K696 R697 L701 E702 D703E695-Q699 WeakPolarHBondContact O-CG 3.39Å; E695-Q699 PolarHBondContact O-N 3Å; E695-Q699 VanDerWaalsContact O-N 3.08Å; K696-Q699 PolarHBondContact O-N 2.75Å; R697-Q699 VanDerWaalsContact C-N 3.33Å; R697-Q699 PolarHBondContact O-N 2.72Å; Q699-L701 VanDerWaalsContact C-N 3.3Å; Q699-L701 PolarHBondContact O-N 3.33Å; Q699-E702 WeakPolarHBondContact O-CB 3.25Å; Q699-E702 PolarHBondContact O-N 2.92Å; Q699-E702 VanDerWaalsContact O-N 3.09Å; Q699-D703 PolarHBondContact O-N 3.45Å; Q699-D703 VanDerWaalsContact O-N 3.14Å
700C93.8Very high93.6Very high22 Ų2274 Ų7415%0.14936%0.362CS..Hα-helixtrans-63.4-34.1179.3-168.70000112.9M644 L645 K696 R697 E702 D703 L704M644-C700 HydrophobicContact CG-CB 4.05Å; M644-C700 VanDerWaalsContact CG-SG 3.53Å; M644-C700 PolarHBondContact O-SG 3.01Å; M644-C700 VanDerWaalsContact O-SG 3.42Å; L645-C700 HydrophobicContact CD2-CB 4.09Å; K696-C700 WeakPolarHBondContact O-CB 3.33Å; K696-C700 PolarHBondContact O-N 2.78Å; R697-C700 PolarHBondContact O-N 2.98Å; C700-E702 VanDerWaalsContact C-N 3.3Å; C700-E702 PolarHBondContact O-N 2.79Å; C700-D703 WeakPolarHBondContact O-CB 3.46Å; C700-D703 PolarHBondContact O-N 2.64Å; C700-L704 WeakPolarHBondContact O-CG 3.48Å; C700-L704 PolarHBondContact O-N 2.58Å
701L93.3Very high93.9Very high70 Ų7079.1 Ų79.137%0.36639%0.388SS..Hα-helixtrans-63.5-35.9174.2-72173.3000112M644 R697 K698 Q699 L704 A705M644-L701 HydrophobicContact CE-CD2 4.09Å; R697-L701 HydrophobicContact CG-CD1 4.3Å; R697-L701 HydrophobicContact CG-CG 4.44Å; R697-L701 WeakPolarHBondContact O-CG 3.4Å; R697-L701 PolarHBondContact O-N 3.02Å; K698-L701 PolarHBondContact O-N 3.49Å; Q699-L701 VanDerWaalsContact C-N 3.3Å; Q699-L701 PolarHBondContact O-N 3.33Å; L701-L704 HydrophobicContact CD2-CD1 4.44Å; L701-L704 PolarHBondContact O-N 3.28Å; L701-A705 WeakPolarHBondContact O-CB 3.32Å; L701-A705 PolarHBondContact O-N 3.26Å
702E94Very high94.3Very high123 Ų12381.6 Ų81.658%0.57540%0.396SS*.Hα-helixtrans-66.5-38.4172.9-65.1179.4179.900111.7K698 Q699 C700 A705 T706K698-E702 PolarHBondContact O-N 3.15Å; Q699-E702 WeakPolarHBondContact O-CB 3.25Å; Q699-E702 PolarHBondContact O-N 2.92Å; Q699-E702 VanDerWaalsContact O-N 3.09Å; C700-E702 VanDerWaalsContact C-N 3.3Å; C700-E702 PolarHBondContact O-N 2.79Å; E702-A705 PolarHBondContact O-N 3.1Å; E702-T706 WeakPolarHBondContact O-CB 3.5Å; E702-T706 PolarHBondContact O-N 3.43Å; E702-T706 PolarHBondContact O-OG1 2.82Å
703D93.9Very high94.6Very high111 Ų11183.8 Ų83.859%0.59441%0.406SS*.Hα-helixtrans-64.8-41.7173.5-71.1-30.8000112.1Q699 C700 T706 L707Q699-D703 PolarHBondContact O-N 3.45Å; Q699-D703 VanDerWaalsContact O-N 3.14Å; C700-D703 WeakPolarHBondContact O-CB 3.46Å; C700-D703 PolarHBondContact O-N 2.64Å; D703-T706 CarbonylContact O-C 3.5Å; D703-T706 WeakPolarHBondContact O-CB 3.27Å; D703-T706 PolarHBondContact O-N 3.18Å; D703-L707 WeakPolarHBondContact O-CB 3.49Å; D703-L707 PolarHBondContact O-N 2.79Å
704L94.3Very high94.8Very high32 Ų3285.6 Ų85.617%0.16842%0.424CS..Hα-helixtrans-65.6-40.6175.8-70.7177.4000111.5M644 W650 C700 L701 T706 L707 I708M644-L704 HydrophobicContact CB-CD1 4.25Å; M644-L704 HydrophobicContact CE-CD1 4.47Å; W650-L704 HydrophobicContact CH2-CD1 3.82Å; W650-L704 HydrophobicContact CH2-CD2 4.16Å; W650-L704 HydrophobicContact CZ2-CD1 4.06Å; W650-L704 HydrophobicContact CZ2-CD2 3.52Å; W650-L704 HydrophobicContact CZ2-CG 4.47Å; W650-L704 HydrophobicContact CZ3-CD1 4.48Å; C700-L704 WeakPolarHBondContact O-CG 3.48Å; C700-L704 PolarHBondContact O-N 2.58Å; L701-L704 HydrophobicContact CD2-CD1 4.44Å; L701-L704 PolarHBondContact O-N 3.28Å; L704-T706 VanDerWaalsContact C-N 3.3Å; L704-T706 PolarHBondContact O-N 3.19Å; L704-L707 HydrophobicContact CD2-CD2 4.34Å; L704-L707 WeakPolarHBondContact O-CB 3.29Å; L704-L707 PolarHBondContact O-N 2.78Å; L704-I708 WeakPolarHBondContact O-CG1 2.81Å; L704-I708 PolarHBondContact O-N 2.7Å
705A95.4Very high95.1Very high42 Ų4291.9 Ų91.935%0.34745%0.447SS..Hα-helixtrans-59.9-43.8171.600000110.7L701 E702 L707 I708 Q709L701-A705 WeakPolarHBondContact O-CB 3.32Å; L701-A705 PolarHBondContact O-N 3.26Å; E702-A705 PolarHBondContact O-N 3.1Å; A705-L707 VanDerWaalsContact C-N 3.34Å; A705-L707 PolarHBondContact O-N 2.8Å; A705-I708 PolarHBondContact O-N 2.96Å; A705-Q709 WeakPolarHBondContact O-CB 3.4Å; A705-Q709 WeakPolarHBondContact O-CG 3.39Å; A705-Q709 PolarHBondContact O-N 3.34Å
706T96.5Very high95.3Very high73 Ų7391.8 Ų91.845%0.44845%0.445SS..Hα-helixtrans-63.8-37.7176.1-600000112.1E702 D703 L704 Q709 K710E702-T706 WeakPolarHBondContact O-CB 3.5Å; E702-T706 PolarHBondContact O-N 3.43Å; E702-T706 PolarHBondContact O-OG1 2.82Å; D703-T706 CarbonylContact O-C 3.5Å; D703-T706 WeakPolarHBondContact O-CB 3.27Å; D703-T706 PolarHBondContact O-N 3.18Å; L704-T706 VanDerWaalsContact C-N 3.3Å; L704-T706 PolarHBondContact O-N 3.19Å; T706-Q709 PolarHBondContact O-N 3.32Å; T706-K710 WeakPolarHBondContact O-CB 3.29Å; T706-K710 WeakPolarHBondContact O-CG 3.41Å; T706-K710 PolarHBondContact O-N 3.46Å
707L95.9Very high95.5Very high73 Ų7392 Ų9238%0.38246%0.456SS..Hα-helixtrans-60.5-49.4173.4174.862.1000111.1D703 L704 A705 Q709 K710 I711D703-L707 WeakPolarHBondContact O-CB 3.49Å; D703-L707 PolarHBondContact O-N 2.79Å; L704-L707 HydrophobicContact CD2-CD2 4.34Å; L704-L707 WeakPolarHBondContact O-CB 3.29Å; L704-L707 PolarHBondContact O-N 2.78Å; A705-L707 VanDerWaalsContact C-N 3.34Å; A705-L707 PolarHBondContact O-N 2.8Å; L707-Q709 VanDerWaalsContact C-N 3.34Å; L707-Q709 PolarHBondContact O-N 3.2Å; L707-K710 WeakPolarHBondContact O-CG 3.28Å; L707-K710 PolarHBondContact O-N 2.94Å; L707-I711 HydrophobicContact CD1-CG1 3.99Å; L707-I711 WeakPolarHBondContact O-CB 3.39Å; L707-I711 WeakPolarHBondContact O-CG1 3.47Å; L707-I711 PolarHBondContact O-N 2.88Å
708I96.7Very high95.5Very high124 Ų12498.8 Ų98.864%0.63648%0.481SS*.Hα-helixtrans-60.8-46.7176.9-65.2167.7000110L704 A705 K710 I711 Y712L704-I708 WeakPolarHBondContact O-CG1 2.81Å; L704-I708 PolarHBondContact O-N 2.7Å; A705-I708 PolarHBondContact O-N 2.96Å; I708-K710 PolarHBondContact O-N 2.77Å; I708-I711 PolarHBondContact O-N 3.18Å; I708-Y712 WeakPolarHBondContact O-CB 3.2Å; I708-Y712 PolarHBondContact O-N 2.9Å
709Q96.4Very high95.7Very high99 Ų9994.4 Ų94.446%0.46347%0.469SS..Hα-helixtrans-61.7-45.1179.9-71.8172.915.600112.5A705 T706 L707 Y712 K713A705-Q709 WeakPolarHBondContact O-CB 3.4Å; A705-Q709 WeakPolarHBondContact O-CG 3.39Å; A705-Q709 PolarHBondContact O-N 3.34Å; T706-Q709 PolarHBondContact O-N 3.32Å; L707-Q709 VanDerWaalsContact C-N 3.34Å; L707-Q709 PolarHBondContact O-N 3.2Å; Q709-Y712 PolarHBondContact O-N 3.11Å; Q709-K713 WeakPolarHBondContact O-CB 3.4Å; Q709-K713 WeakPolarHBondContact O-CG 3.31Å; Q709-K713 PolarHBondContact O-N 2.78Å
710K97.4Very high95.8Very high131 Ų13195.7 Ų95.757%0.5748%0.475SS*.Hα-helixtrans-68.8-38.5-179.678.7-178.2178.4-175.10111.6T706 L707 I708 K713 G714T706-K710 WeakPolarHBondContact O-CB 3.29Å; T706-K710 WeakPolarHBondContact O-CG 3.41Å; T706-K710 PolarHBondContact O-N 3.46Å; L707-K710 WeakPolarHBondContact O-CG 3.28Å; L707-K710 PolarHBondContact O-N 2.94Å; I708-K710 PolarHBondContact O-N 2.77Å; K710-K713 PolarHBondContact O-N 3.38Å; K710-G714 PolarHBondContact O-N 2.88Å
711I97.4Very high95.9Very high107 Ų107100.6 Ų100.655%0.54949%0.494SS..Hα-helixtrans-65.9-45.7176.2-66.7-67.2000110.2L707 I708 G714 W715L707-I711 HydrophobicContact CD1-CG1 3.99Å; L707-I711 WeakPolarHBondContact O-CB 3.39Å; L707-I711 WeakPolarHBondContact O-CG1 3.47Å; L707-I711 PolarHBondContact O-N 2.88Å; I708-I711 PolarHBondContact O-N 3.18Å; I711-G714 PolarHBondContact O-N 3.39Å; I711-W715 VanDerWaalsContact O-CB 3.31Å; I711-W715 WeakPolarHBondContact O-CB 3.34Å; I711-W715 PolarHBondContact O-N 3.39Å
712Y97.5Very high96Very high124 Ų124101.3 Ų101.349%0.48650%0.497SS..Hα-helixtrans-60.3-48175.4171.7-98000111.9I708 Q709 G714 W715 K716I708-Y712 WeakPolarHBondContact O-CB 3.2Å; I708-Y712 PolarHBondContact O-N 2.9Å; Q709-Y712 PolarHBondContact O-N 3.11Å; Y712-G714 VanDerWaalsContact C-N 3.35Å; Y712-G714 PolarHBondContact O-N 3.03Å; Y712-W715 HydrophobicContact CD2-CE3 4.27Å; Y712-W715 HydrophobicContact CE2-CE3 4.3Å; Y712-W715 HydrophobicContact CE2-CZ3 4.12Å; Y712-W715 PolarHBondContact O-N 2.84Å; Y712-K716 HydrophobicContact CE1-CD 4.15Å; Y712-K716 VanDerWaalsContact O-CB 3.28Å; Y712-K716 WeakPolarHBondContact O-CB 3.48Å; Y712-K716 PolarHBondContact O-N 2.85Å
713K97Very high96Very high126 Ų126100.4 Ų100.455%0.54850%0.496SS..Hα-helixtrans-59.4-45.1176.8-74.2169.6-177.6172.60111.1Q709 K710 K716 C717Q709-K713 WeakPolarHBondContact O-CB 3.4Å; Q709-K713 WeakPolarHBondContact O-CG 3.31Å; Q709-K713 PolarHBondContact O-N 2.78Å; K710-K713 PolarHBondContact O-N 3.38Å; K713-K716 PolarHBondContact O-N 2.92Å; K713-C717 WeakPolarHBondContact O-CB 3.3Å; K713-C717 PolarHBondContact O-N 3.47Å; K713-C717 PolarHBondContact O-SG 2.63Å; K713-C717 VanDerWaalsContact O-SG 3.36Å
714G96.9Very high96Very high39 Ų3999.6 Ų99.640%0.40249%0.491SS..Hα-helixtrans-62.8-48.217700000112.8K710 I711 Y712 K716 C717 R718K710-G714 PolarHBondContact O-N 2.88Å; I711-G714 PolarHBondContact O-N 3.39Å; Y712-G714 VanDerWaalsContact C-N 3.35Å; Y712-G714 PolarHBondContact O-N 3.03Å; G714-K716 VanDerWaalsContact C-N 3.33Å; G714-K716 PolarHBondContact O-N 3.26Å; G714-C717 PolarHBondContact O-N 3.01Å; G714-R718 VanDerWaalsContact O-CB 3.29Å; G714-R718 WeakPolarHBondContact O-CB 3.42Å; G714-R718 PolarHBondContact O-N 3.41Å
715W97.8Very high95.9Very high159 Ų159104 Ų10460%0.60251%0.509SS*.Hα-helixtrans-58.2-44.4175.416984.7000111.6I711 Y712 R718 S719I711-W715 VanDerWaalsContact O-CB 3.31Å; I711-W715 WeakPolarHBondContact O-CB 3.34Å; I711-W715 PolarHBondContact O-N 3.39Å; Y712-W715 HydrophobicContact CD2-CE3 4.27Å; Y712-W715 HydrophobicContact CE2-CE3 4.3Å; Y712-W715 HydrophobicContact CE2-CZ3 4.12Å; Y712-W715 PolarHBondContact O-N 2.84Å; W715-R718 PolarHBondContact O-N 2.89Å; W715-S719 VanDerWaalsContact O-CB 3.24Å; W715-S719 WeakPolarHBondContact O-CB 3.15Å; W715-S719 PolarHBondContact O-N 2.88Å; W715-S719 PolarHBondContact O-OG 3.24Å
716K96.8Very high95.8Very high119 Ų119109.4 Ų109.452%0.51753%0.525SS..Hα-helixtrans-61.9-48.1178.1-175.1176.2-177.1172.30111.6Y712 K713 G714 H720Y712-K716 HydrophobicContact CE1-CD 4.15Å; Y712-K716 VanDerWaalsContact O-CB 3.28Å; Y712-K716 WeakPolarHBondContact O-CB 3.48Å; Y712-K716 PolarHBondContact O-N 2.85Å; K713-K716 PolarHBondContact O-N 2.92Å; G714-K716 VanDerWaalsContact C-N 3.33Å; G714-K716 PolarHBondContact O-N 3.26Å; K716-H720 WeakPolarHBondContact O-CB 3.32Å; K716-H720 PolarHBondContact O-N 2.8Å
717C95.8Very high95.7Very high88 Ų88108.6 Ų108.660%0.59552%0.522SS*.Hα-helixtrans-64.7-44177.5-71.70000112.3K713 G714 H720 F721K713-C717 WeakPolarHBondContact O-CB 3.3Å; K713-C717 PolarHBondContact O-N 3.47Å; K713-C717 PolarHBondContact O-SG 2.63Å; K713-C717 VanDerWaalsContact O-SG 3.36Å; G714-C717 PolarHBondContact O-N 3.01Å; C717-H720 PolarHBondContact O-N 2.94Å; C717-F721 WeakPolarHBondContact O-CB 3.44Å; C717-F721 PolarHBondContact O-N 3.11Å
718R95.1Very high95.6Very high181 Ų181110.7 Ų110.768%0.68353%0.53SS*.Hα-helixtrans-64-45.3178.4-176.1172.9-179.5163.8-0.4111.6G714 W715 H720 F721 L722G714-R718 VanDerWaalsContact O-CB 3.29Å; G714-R718 WeakPolarHBondContact O-CB 3.42Å; G714-R718 PolarHBondContact O-N 3.41Å; W715-R718 PolarHBondContact O-N 2.89Å; R718-H720 VanDerWaalsContact C-N 3.31Å; R718-H720 PolarHBondContact O-N 3.4Å; R718-F721 PolarHBondContact O-N 3.34Å; R718-L722 HydrophobicContact CG-CD1 4.19Å; R718-L722 HydrophobicContact CG-CG 4.46Å; R718-L722 VanDerWaalsContact O-CG 3.31Å; R718-L722 WeakPolarHBondContact O-CG 3.37Å; R718-L722 PolarHBondContact O-N 3.26Å
719S95.2Very high95.4Very high51 Ų51108.7 Ų108.736%0.35752%0.523SS..Hα-helixtrans-59.5-43.3176.1-64.40000111.2W715 L723W715-S719 VanDerWaalsContact O-CB 3.24Å; W715-S719 WeakPolarHBondContact O-CB 3.15Å; W715-S719 PolarHBondContact O-N 2.88Å; W715-S719 PolarHBondContact O-OG 3.24Å; S719-L723 PolarHBondContact O-N 3.01Å; S719-L723 VanDerWaalsContact O-N 3.13Å
720H95.3Very high95.2Very high115 Ų115107.7 Ų107.753%0.53252%0.524SS..Hα-helixtrans-64.3-44.8175.3-172.365000112.6K716 C717 R718 L722 L723 L724K716-H720 WeakPolarHBondContact O-CB 3.32Å; K716-H720 PolarHBondContact O-N 2.8Å; C717-H720 PolarHBondContact O-N 2.94Å; R718-H720 VanDerWaalsContact C-N 3.31Å; R718-H720 PolarHBondContact O-N 3.4Å; H720-L722 PolarHBondContact O-N 3.45Å; H720-L723 WeakPolarHBondContact O-CB 3.27Å; H720-L723 PolarHBondContact O-N 2.87Å; H720-L724 WeakPolarHBondContact O-CG 3.45Å; H720-L724 PolarHBondContact O-N 2.92Å
721F95.3Very high94.9Very high125 Ų125106.2 Ų106.255%0.54853%0.526SS..Hα-helixtrans-61.4-43.6177.3173.1-103.5000112.5C717 R718 L723 L724 K725C717-F721 WeakPolarHBondContact O-CB 3.44Å; C717-F721 PolarHBondContact O-N 3.11Å; R718-F721 PolarHBondContact O-N 3.34Å; F721-L723 VanDerWaalsContact C-N 3.29Å; F721-L723 PolarHBondContact O-N 3.49Å; F721-L724 WeakPolarHBondContact O-CB 3.39Å; F721-L724 PolarHBondContact O-N 2.8Å; F721-K725 PolarHBondContact O-N 3.33Å
722L95.3Very high94.6Very high85 Ų85102.5 Ų102.545%0.44551%0.51SS..Hα-helixtrans-62.8-37176.7-70.3174.6000111.8R718 H720 K725 K726R718-L722 HydrophobicContact CG-CD1 4.19Å; R718-L722 HydrophobicContact CG-CG 4.46Å; R718-L722 VanDerWaalsContact O-CG 3.31Å; R718-L722 WeakPolarHBondContact O-CG 3.37Å; R718-L722 PolarHBondContact O-N 3.26Å; H720-L722 PolarHBondContact O-N 3.45Å; L722-K725 PolarHBondContact O-N 2.94Å; L722-K726 WeakPolarHBondContact O-CG 2.96Å; L722-K726 PolarHBondContact O-N 3.34Å
723L94.6Very high94.3Very high105 Ų10599.1 Ų99.155%0.5551%0.505SS..Hα-helixtrans-64.9-43.2173.6-176.267.4000111.8S719 H720 F721 K726 S727S719-L723 PolarHBondContact O-N 3.01Å; S719-L723 VanDerWaalsContact O-N 3.13Å; H720-L723 WeakPolarHBondContact O-CB 3.27Å; H720-L723 PolarHBondContact O-N 2.87Å; F721-L723 VanDerWaalsContact C-N 3.29Å; F721-L723 PolarHBondContact O-N 3.49Å; L723-K726 PolarHBondContact O-N 2.86Å; L723-S727 WeakPolarHBondContact O-CB 3.44Å; L723-S727 PolarHBondContact O-N 2.68Å; L723-S727 PolarHBondContact O-OG 3.32Å
724L93.2Very high94Very high93 Ų93100.6 Ų100.649%0.48751%0.507SS..Hα-helixtrans-62.1-42.5175.1-71.9174.4000111.5H720 F721 S727 Q728H720-L724 WeakPolarHBondContact O-CG 3.45Å; H720-L724 PolarHBondContact O-N 2.92Å; F721-L724 WeakPolarHBondContact O-CB 3.39Å; F721-L724 PolarHBondContact O-N 2.8Å; L724-S727 WeakPolarHBondContact O-CB 3.19Å; L724-S727 PolarHBondContact O-N 3.5Å; L724-Q728 WeakPolarHBondContact O-CB 3.41Å; L724-Q728 PolarHBondContact O-N 3.04Å
725K93Very high93.8Very high125 Ų125105.3 Ų105.354%0.54352%0.517SS..Hα-helixtrans-61.3-44.9176.6-168179.3-179.2-179.70111.7F721 L722 S727 Q728 V729F721-K725 PolarHBondContact O-N 3.33Å; L722-K725 PolarHBondContact O-N 2.94Å; K725-S727 VanDerWaalsContact C-N 3.34Å; K725-S727 PolarHBondContact O-N 3.36Å; K725-Q728 PolarHBondContact O-N 3.35Å; K725-V729 WeakPolarHBondContact O-CG2 3.35Å; K725-V729 PolarHBondContact O-N 3.36Å
726K93Very high93.5Very high156 Ų156105.8 Ų105.868%0.67852%0.519SS*.Hα-helixtrans-60-44.1173.5-74.4-178.4178.2-176.50111.6L722 L723 Q728 V729 V730L722-K726 WeakPolarHBondContact O-CG 2.96Å; L722-K726 PolarHBondContact O-N 3.34Å; L723-K726 PolarHBondContact O-N 2.86Å; K726-Q728 PolarHBondContact O-N 3.23Å; K726-V729 PolarHBondContact O-N 2.89Å; K726-V730 PolarHBondContact O-N 2.91Å
727S93.3Very high93.3Very high55 Ų55106.7 Ų106.739%0.38552%0.519SS..Hα-helixtrans-63-41.2178.3-56.40000111.7L723 L724 K725 V729 V730 V731L723-S727 WeakPolarHBondContact O-CB 3.44Å; L723-S727 PolarHBondContact O-N 2.68Å; L723-S727 PolarHBondContact O-OG 3.32Å; L724-S727 WeakPolarHBondContact O-CB 3.19Å; L724-S727 PolarHBondContact O-N 3.5Å; K725-S727 VanDerWaalsContact C-N 3.34Å; K725-S727 PolarHBondContact O-N 3.36Å; S727-V729 PolarHBondContact O-N 2.89Å; S727-V730 PolarHBondContact O-N 3.39Å; S727-V731 WeakPolarHBondContact O-CG2 3.45Å; S727-V731 PolarHBondContact O-N 3.47Å
728Q94.8Very high93.1Very high117 Ų117108.6 Ų108.655%0.54751%0.514SS..Hα-helixtrans-60.5-41.8176.7-178.6-85.4-13.800112.1L724 K725 K726 V730 V731 A732L724-Q728 WeakPolarHBondContact O-CB 3.41Å; L724-Q728 PolarHBondContact O-N 3.04Å; K725-Q728 PolarHBondContact O-N 3.35Å; K726-Q728 PolarHBondContact O-N 3.23Å; Q728-V730 VanDerWaalsContact C-N 3.32Å; Q728-V730 PolarHBondContact O-N 3.39Å; Q728-V731 PolarHBondContact O-N 3.06Å; Q728-A732 VanDerWaalsContact O-CB 3.25Å; Q728-A732 WeakPolarHBondContact O-CB 3.14Å; Q728-A732 PolarHBondContact O-N 3.26Å
729V92.6Very high93Very high82 Ų82102.1 Ų102.150%0.49750%0.499SS..Hα-helixtrans-61.5-42.7176.6173.20000111K725 K726 S727 A732 S733K725-V729 WeakPolarHBondContact O-CG2 3.35Å; K725-V729 PolarHBondContact O-N 3.36Å; K726-V729 PolarHBondContact O-N 2.89Å; S727-V729 PolarHBondContact O-N 2.89Å; V729-A732 PolarHBondContact O-N 2.96Å; V729-S733 PolarHBondContact O-N 2.95Å
730V92.3Very high92.8Very high79 Ų79105.5 Ų105.548%0.47951%0.509SS..Hα-helixtrans-63.3-50.9175.7175.40000110.4K726 S727 Q728 A732 S733 W734K726-V730 PolarHBondContact O-N 2.91Å; S727-V730 PolarHBondContact O-N 3.39Å; Q728-V730 VanDerWaalsContact C-N 3.32Å; Q728-V730 PolarHBondContact O-N 3.39Å; V730-A732 VanDerWaalsContact C-N 3.3Å; V730-A732 PolarHBondContact O-N 3.36Å; V730-S733 PolarHBondContact O-N 3.32Å; V730-S733 VanDerWaalsContact O-N 3.17Å; V730-S733 PolarHBondContact O-OG 2.91Å; V730-W734 PolarHBondContact O-N 3.49Å
731V91.3Very high92.5Very high100 Ų100104.2 Ų104.261%0.60650%0.504SS*.Hα-helixtrans-58.8-42.8178.1176.60000111.5S727 Q728 S733 W734 F735S727-V731 WeakPolarHBondContact O-CG2 3.45Å; S727-V731 PolarHBondContact O-N 3.47Å; Q728-V731 PolarHBondContact O-N 3.06Å; V731-S733 PolarHBondContact O-N 3.13Å; V731-W734 PolarHBondContact O-N 3.27Å; V731-F735 WeakPolarHBondContact O-CB 3.49Å; V731-F735 PolarHBondContact O-N 2.94Å
732A90.4Very high92.3Very high28 Ų28102.7 Ų102.723%0.23150%0.497CS..Hα-helixtrans-66.3-34.7178.300000112.8Q728 V729 V730 R736Q728-A732 VanDerWaalsContact O-CB 3.25Å; Q728-A732 WeakPolarHBondContact O-CB 3.14Å; Q728-A732 PolarHBondContact O-N 3.26Å; V729-A732 PolarHBondContact O-N 2.96Å; V730-A732 VanDerWaalsContact C-N 3.3Å; V730-A732 PolarHBondContact O-N 3.36Å; A732-R736 WeakPolarHBondContact O-CB 3.34Å; A732-R736 VanDerWaalsContact O-CG 3.29Å; A732-R736 WeakPolarHBondContact O-CG 3.35Å; A732-R736 PolarHBondContact O-N 3.47Å; A732-R736 PolarHBondContact O-NE 2.78Å
733S91.4Very high92.1Very high53 Ų53104.7 Ų104.737%0.37150%0.502SS..Hα-helixtrans-69.8-42.5174.971.60000111.7V729 V730 V731 F735 R736 R737V729-S733 PolarHBondContact O-N 2.95Å; V730-S733 PolarHBondContact O-N 3.32Å; V730-S733 VanDerWaalsContact O-N 3.17Å; V730-S733 PolarHBondContact O-OG 2.91Å; V731-S733 PolarHBondContact O-N 3.13Å; S733-F735 PolarHBondContact O-N 2.9Å; S733-R736 PolarHBondContact O-N 3.38Å; S733-R737 WeakPolarHBondContact O-CB 3.43Å; S733-R737 PolarHBondContact O-N 2.78Å
734W91.5Very high91.9Very high158 Ų158106.5 Ų106.560%0.59850%0.503SS*.Hα-helixtrans-61.4-42.7173.3-80.7102000112.3V730 V731 R737 Y738V730-W734 PolarHBondContact O-N 3.49Å; V731-W734 PolarHBondContact O-N 3.27Å; W734-R737 WeakPolarHBondContact O-CB 3.36Å; W734-R737 PolarHBondContact O-N 3.49Å; W734-Y738 WeakPolarHBondContact O-CB 3.35Å; W734-Y738 PolarHBondContact O-N 3.49Å
735F92.3Very high91.7Very high138 Ų138107.2 Ų107.261%0.60550%0.503SS*.Hα-helixtrans-64.2-45.9176.2-178.3-98.2000112V731 S733 R737 Y738 A739V731-F735 WeakPolarHBondContact O-CB 3.49Å; V731-F735 PolarHBondContact O-N 2.94Å; S733-F735 PolarHBondContact O-N 2.9Å; F735-R737 VanDerWaalsContact C-N 3.31Å; F735-R737 PolarHBondContact O-N 2.79Å; F735-Y738 PolarHBondContact O-N 3.1Å; F735-A739 WeakPolarHBondContact O-CB 3.32Å; F735-A739 PolarHBondContact O-N 3.26Å
736R92Very high91.4Very high168 Ų168108.9 Ų108.963%0.63451%0.511SS*.Hα-helixtrans-57.3-43.7175.1-78-176.2-74.9-170.60.3111.7A732 S733 Q740A732-R736 WeakPolarHBondContact O-CB 3.34Å; A732-R736 VanDerWaalsContact O-CG 3.29Å; A732-R736 WeakPolarHBondContact O-CG 3.35Å; A732-R736 PolarHBondContact O-N 3.47Å; A732-R736 PolarHBondContact O-NE 2.78Å; S733-R736 PolarHBondContact O-N 3.38Å; R736-Q740 PolarHBondContact O-N 3.03Å; R736-Q740 VanDerWaalsContact O-N 3.1Å
737R91.3Very high91.1Very high138 Ų138105.9 Ų105.952%0.52150%0.501SS..Hα-helixtrans-59.7-50.6173.6177-176.2177175.94.8111.8S733 W734 F735 A739 Q740 Q741S733-R737 WeakPolarHBondContact O-CB 3.43Å; S733-R737 PolarHBondContact O-N 2.78Å; W734-R737 WeakPolarHBondContact O-CB 3.36Å; W734-R737 PolarHBondContact O-N 3.49Å; F735-R737 VanDerWaalsContact C-N 3.31Å; F735-R737 PolarHBondContact O-N 2.79Å; R737-A739 PolarHBondContact O-N 2.76Å; R737-Q740 PolarHBondContact O-N 2.81Å; R737-Q741 HydrophobicContact CG-CG 4.49Å; R737-Q741 WeakPolarHBondContact O-CG 3.05Å; R737-Q741 PolarHBondContact O-N 3.13Å
738Y92.1Very high90.9Very high129 Ų129109 Ų10951%0.50651%0.508SS..Hα-helixtrans-60.4-45.4-179.4175.4-96.6000112.1W734 F735 Q740 Q741 K742W734-Y738 WeakPolarHBondContact O-CB 3.35Å; W734-Y738 PolarHBondContact O-N 3.49Å; F735-Y738 PolarHBondContact O-N 3.1Å; Y738-Q740 VanDerWaalsContact C-N 3.32Å; Y738-Q740 PolarHBondContact O-N 2.98Å; Y738-Q741 PolarHBondContact O-N 3.21Å; Y738-K742 HydrophobicContact CD1-CG 4.38Å; Y738-K742 HydrophobicContact CE1-CG 3.84Å; Y738-K742 HydrophobicContact CE2-CG 4.2Å; Y738-K742 PolarHBondContact O-N 3.1Å; Y738-K742 WeakPolarHBondContact OH-CE 3.44Å
739A92.6Very high90.4Very high44 Ų44109.5 Ų109.536%0.36451%0.51SS..Hα-helixtrans-58.5-44.4176.900000111.4F735 R737 K742 K743F735-A739 WeakPolarHBondContact O-CB 3.32Å; F735-A739 PolarHBondContact O-N 3.26Å; R737-A739 PolarHBondContact O-N 2.76Å; A739-K742 PolarHBondContact O-N 2.87Å; A739-K743 WeakPolarHBondContact O-CB 3.35Å; A739-K743 PolarHBondContact O-N 3.25Å
740Q92.1Very high90Very high122 Ų122108.1 Ų108.157%0.5751%0.507SS*.Hα-helixtrans-66.8-40.7177-170.162.810.300112.4R736 R737 Y738 K743 Y744R736-Q740 PolarHBondContact O-N 3.03Å; R736-Q740 VanDerWaalsContact O-N 3.1Å; R737-Q740 PolarHBondContact O-N 2.81Å; Y738-Q740 VanDerWaalsContact C-N 3.32Å; Y738-Q740 PolarHBondContact O-N 2.98Å; Q740-K743 PolarHBondContact O-N 3.3Å; Q740-Y744 WeakPolarHBondContact O-CB 3.08Å; Q740-Y744 PolarHBondContact O-N 3.42Å
741Q89.1Confident89.7Confident89 Ų89107.4 Ų107.442%0.41650%0.503SS..Hα-helixtrans-61.4-43.4174.3-75.6178.5-2500112R737 Y738 Y744 Q745R737-Q741 HydrophobicContact CG-CG 4.49Å; R737-Q741 WeakPolarHBondContact O-CG 3.05Å; R737-Q741 PolarHBondContact O-N 3.13Å; Y738-Q741 PolarHBondContact O-N 3.21Å; Q741-Y744 PolarHBondContact O-N 3.3Å; Q741-Q745 WeakPolarHBondContact O-CB 3.4Å; Q741-Q745 WeakPolarHBondContact O-CG 3.26Å; Q741-Q745 PolarHBondContact O-N 3.4Å
742K89.8Confident89.4Confident92 Ų92106 Ų10640%0.449%0.494SS..Hα-helixtrans-63.6-41.5175.1-82.8-68.2-174.4-172.10112.2Y738 A739 Q745 K746Y738-K742 HydrophobicContact CD1-CG 4.38Å; Y738-K742 HydrophobicContact CE1-CG 3.84Å; Y738-K742 HydrophobicContact CE2-CG 4.2Å; Y738-K742 PolarHBondContact O-N 3.1Å; Y738-K742 WeakPolarHBondContact OH-CE 3.44Å; A739-K742 PolarHBondContact O-N 2.87Å; K742-Q745 PolarHBondContact O-N 3.21Å; K742-K746 WeakPolarHBondContact O-CG 3.31Å; K742-K746 PolarHBondContact O-N 2.97Å
743K91.4Very high89.1Confident127 Ų127108.9 Ų108.955%0.55250%0.504SS*.Hα-helixtrans-60.7-46.9174-171.8178.8179.8-179.60111A739 Q740 K746 I747A739-K743 WeakPolarHBondContact O-CB 3.35Å; A739-K743 PolarHBondContact O-N 3.25Å; Q740-K743 PolarHBondContact O-N 3.3Å; K743-K746 PolarHBondContact O-N 2.87Å; K743-I747 HydrophobicContact CG-CD1 4.25Å; K743-I747 WeakPolarHBondContact O-CG1 3.32Å; K743-I747 PolarHBondContact O-N 3.41Å
744Y90.4Very high88.7Confident144 Ų144110.9 Ų110.957%0.56551%0.514SS*.Hα-helixtrans-61.9-43.4176177.7-101.2000112.5Q740 Q741 K746 I747 K748Q740-Y744 WeakPolarHBondContact O-CB 3.08Å; Q740-Y744 PolarHBondContact O-N 3.42Å; Q741-Y744 PolarHBondContact O-N 3.3Å; Y744-K746 VanDerWaalsContact C-N 3.33Å; Y744-K746 PolarHBondContact O-N 2.86Å; Y744-I747 PolarHBondContact O-N 3.19Å; Y744-K748 HydrophobicContact CE1-CD 4.28Å; Y744-K748 WeakPolarHBondContact O-CB 3.19Å; Y744-K748 PolarHBondContact O-N 2.93Å
745Q89Confident88.2Confident108 Ų108107.4 Ų107.451%0.50550%0.504SS..Hα-helixtrans-59.4-41.4175.2-77.3177-500112.2Q741 K742 K748 H749Q741-Q745 WeakPolarHBondContact O-CB 3.4Å; Q741-Q745 WeakPolarHBondContact O-CG 3.26Å; Q741-Q745 PolarHBondContact O-N 3.4Å; K742-Q745 PolarHBondContact O-N 3.21Å; Q745-K748 PolarHBondContact O-N 3.01Å; Q745-H749 VanDerWaalsContact O-CB 3.29Å; Q745-H749 WeakPolarHBondContact O-CB 3.47Å; Q745-H749 PolarHBondContact O-N 2.88Å
746K87.6Confident87.7Confident160 Ų160103.9 Ų103.970%0.69650%0.497SS*.Hα-helixtrans-62.4-46.6174.4-75.6-178177.1-175.60111.8K742 K743 Y744 H749 A750K742-K746 WeakPolarHBondContact O-CG 3.31Å; K742-K746 PolarHBondContact O-N 2.97Å; K743-K746 PolarHBondContact O-N 2.87Å; Y744-K746 VanDerWaalsContact C-N 3.33Å; Y744-K746 PolarHBondContact O-N 2.86Å; K746-H749 PolarHBondContact O-N 2.76Å; K746-A750 WeakPolarHBondContact O-CB 3.28Å; K746-A750 PolarHBondContact O-N 2.93Å
747I87Confident87.3Confident92 Ų92103.3 Ų103.347%0.47250%0.496SS..Hα-helixtrans-60.7-50176.5-66.6167.2000109.9K743 Y744 H749 A750 T751K743-I747 HydrophobicContact CG-CD1 4.25Å; K743-I747 WeakPolarHBondContact O-CG1 3.32Å; K743-I747 PolarHBondContact O-N 3.41Å; Y744-I747 PolarHBondContact O-N 3.19Å; I747-H749 VanDerWaalsContact C-N 3.35Å; I747-H749 PolarHBondContact O-N 3.18Å; I747-A750 PolarHBondContact O-N 3.21Å; I747-T751 WeakPolarHBondContact O-CB 3.41Å; I747-T751 PolarHBondContact O-N 3.45Å; I747-T751 PolarHBondContact O-OG1 2.87Å
748K88.1Confident87Confident122 Ų12299.9 Ų99.953%0.5349%0.49SS..Hα-helixtrans-56.3-48177.4-176.1178.8178.8178.40111.2Y744 Q745 T751 T752Y744-K748 HydrophobicContact CE1-CD 4.28Å; Y744-K748 WeakPolarHBondContact O-CB 3.19Å; Y744-K748 PolarHBondContact O-N 2.93Å; Q745-K748 PolarHBondContact O-N 3.01Å; K748-T751 PolarHBondContact O-N 3.06Å; K748-T752 WeakPolarHBondContact O-CB 3.42Å; K748-T752 PolarHBondContact O-N 3.47Å; K748-T752 PolarHBondContact O-OG1 3.25Å
749H83.8Confident86.6Confident127 Ų127101.9 Ų101.959%0.58850%0.497SS*.Hα-helixtrans-62.3-44.6178.6-173.770.7000112.1Q745 K746 I747 T752 M753Q745-H749 VanDerWaalsContact O-CB 3.29Å; Q745-H749 WeakPolarHBondContact O-CB 3.47Å; Q745-H749 PolarHBondContact O-N 2.88Å; K746-H749 PolarHBondContact O-N 2.76Å; I747-H749 VanDerWaalsContact C-N 3.35Å; I747-H749 PolarHBondContact O-N 3.18Å; H749-T752 PolarHBondContact O-N 3.29Å; H749-M753 WeakPolarHBondContact O-CB 3.36Å; H749-M753 WeakPolarHBondContact O-CG 3.48Å; H749-M753 PolarHBondContact O-N 3.4Å
750A85.3Confident86.1Confident53 Ų53100.6 Ų100.644%0.43849%0.488SS..Hα-helixtrans-61.7-4517500000111.7K746 I747 M753 V754K746-A750 WeakPolarHBondContact O-CB 3.28Å; K746-A750 PolarHBondContact O-N 2.93Å; I747-A750 PolarHBondContact O-N 3.21Å; A750-M753 WeakPolarHBondContact O-CB 3.39Å; A750-M753 PolarHBondContact O-N 2.83Å; A750-V754 WeakPolarHBondContact O-CG2 3.45Å; A750-V754 PolarHBondContact O-N 3.34Å
751T85.4Confident85.7Confident64 Ų64101.6 Ų101.639%0.39349%0.487SS..Hα-helixtrans-63.9-44.1176.4-57.20000111.7I747 K748 M753 V754 Q755I747-T751 WeakPolarHBondContact O-CB 3.41Å; I747-T751 PolarHBondContact O-N 3.45Å; I747-T751 PolarHBondContact O-OG1 2.87Å; K748-T751 PolarHBondContact O-N 3.06Å; T751-M753 VanDerWaalsContact C-N 3.33Å; T751-M753 PolarHBondContact O-N 3.47Å; T751-V754 PolarHBondContact O-N 2.86Å; T751-Q755 HydrophobicContact CG2-CG 4.29Å; T751-Q755 VanDerWaalsContact O-CB 3.29Å; T751-Q755 WeakPolarHBondContact O-CB 3.17Å; T751-Q755 WeakPolarHBondContact O-CG 3.44Å; T751-Q755 PolarHBondContact O-N 3.41Å
752T84.5Confident85.4Confident69 Ų69102.7 Ų102.742%0.42349%0.492SS..Hα-helixtrans-63-40.1174.9-57.30000111.1K748 H749 S756K748-T752 WeakPolarHBondContact O-CB 3.42Å; K748-T752 PolarHBondContact O-N 3.47Å; K748-T752 PolarHBondContact O-OG1 3.25Å; H749-T752 PolarHBondContact O-N 3.29Å; T752-S756 WeakPolarHBondContact O-CB 3.03Å; T752-S756 PolarHBondContact O-N 3.46Å; T752-S756 PolarHBondContact O-OG 3.49Å
753M83.5Confident84.8Confident90 Ų90101.1 Ų101.144%0.44350%0.496SS..Hα-helixtrans-59.8-51.9173.4-86.6-166.655.900111.4H749 A750 T751 Q755 S756 Y757H749-M753 WeakPolarHBondContact O-CB 3.36Å; H749-M753 WeakPolarHBondContact O-CG 3.48Å; H749-M753 PolarHBondContact O-N 3.4Å; A750-M753 WeakPolarHBondContact O-CB 3.39Å; A750-M753 PolarHBondContact O-N 2.83Å; T751-M753 VanDerWaalsContact C-N 3.33Å; T751-M753 PolarHBondContact O-N 3.47Å; M753-Q755 PolarHBondContact O-N 3.33Å; M753-S756 PolarHBondContact O-N 3.46Å; M753-S756 PolarHBondContact O-OG 3.44Å; M753-Y757 PolarHBondContact O-N 3.34Å
754V83.6Confident84.2Confident94 Ų94100.5 Ų100.557%0.5749%0.49SS*.Hα-helixtrans-59.9-48.8178172.70000110.6A750 T751 S756 Y757 T758A750-V754 WeakPolarHBondContact O-CG2 3.45Å; A750-V754 PolarHBondContact O-N 3.34Å; T751-V754 PolarHBondContact O-N 2.86Å; V754-S756 VanDerWaalsContact C-N 3.32Å; V754-S756 PolarHBondContact O-N 3.25Å; V754-Y757 WeakPolarHBondContact O-CB 3.44Å; V754-Y757 PolarHBondContact O-N 2.88Å; V754-Y757 VanDerWaalsContact O-N 3.11Å; V754-T758 PolarHBondContact O-N 2.88Å; V754-T758 PolarHBondContact O-OG1 3.41Å
755Q80.9Confident83.8Confident86 Ų8699.3 Ų99.340%0.40249%0.488SS..Hα-helixtrans-57.8-42.2176-74.9173.9-19.800112.2T751 M753 Y757 T758 R759T751-Q755 HydrophobicContact CG2-CG 4.29Å; T751-Q755 VanDerWaalsContact O-CB 3.29Å; T751-Q755 WeakPolarHBondContact O-CB 3.17Å; T751-Q755 WeakPolarHBondContact O-CG 3.44Å; T751-Q755 PolarHBondContact O-N 3.41Å; M753-Q755 PolarHBondContact O-N 3.33Å; Q755-Y757 VanDerWaalsContact C-N 3.34Å; Q755-T758 PolarHBondContact O-N 2.96Å; Q755-R759 VanDerWaalsContact O-CB 3.23Å; Q755-R759 WeakPolarHBondContact O-CB 3.32Å; Q755-R759 WeakPolarHBondContact O-CG 3.25Å; Q755-R759 PolarHBondContact O-N 3.31Å
756S83.1Confident83.3Confident64 Ų6499 Ų9945%0.44849%0.489SS..Hα-helixtrans-67-36.117774.90000112.1T752 M753 V754 G760T752-S756 WeakPolarHBondContact O-CB 3.03Å; T752-S756 PolarHBondContact O-N 3.46Å; T752-S756 PolarHBondContact O-OG 3.49Å; M753-S756 PolarHBondContact O-N 3.46Å; M753-S756 PolarHBondContact O-OG 3.44Å; V754-S756 VanDerWaalsContact C-N 3.32Å; V754-S756 PolarHBondContact O-N 3.25Å; S756-G760 WeakPolarHBondContact O-CA 3.5Å; S756-G760 PolarHBondContact O-N 2.95Å
757Y83.8Confident82.7Confident155 Ų15595.1 Ų95.161%0.60848%0.476SS*.Hα-helixtrans-66.8-46.2174.1-104-88000111.4M753 V754 Q755 G760 W761 R764M753-Y757 PolarHBondContact O-N 3.34Å; V754-Y757 WeakPolarHBondContact O-CB 3.44Å; V754-Y757 PolarHBondContact O-N 2.88Å; V754-Y757 VanDerWaalsContact O-N 3.11Å; Q755-Y757 VanDerWaalsContact C-N 3.34Å; Y757-G760 CarbonylContact O-C 3.54Å; Y757-G760 PolarHBondContact O-N 2.9Å; Y757-W761 VanDerWaalsContact O-CB 3.23Å; Y757-W761 WeakPolarHBondContact O-CB 3.48Å; Y757-W761 PolarHBondContact O-N 3.46Å; Y757-R764 PolarHBondContact O-NH2 3.4Å
758T83.4Confident82.1Confident67 Ų6799.5 Ų99.541%0.41149%0.486SS..Hα-helixtrans-67.4-48.9179.7-50.30000111.5V754 Q755 G760 W761 Q762V754-T758 PolarHBondContact O-N 2.88Å; V754-T758 PolarHBondContact O-OG1 3.41Å; Q755-T758 PolarHBondContact O-N 2.96Å; T758-G760 VanDerWaalsContact C-N 3.31Å; T758-G760 PolarHBondContact O-N 3.37Å; T758-W761 PolarHBondContact O-N 3.08Å; T758-W761 VanDerWaalsContact O-N 3.14Å; T758-Q762 WeakPolarHBondContact O-CG 3.41Å; T758-Q762 PolarHBondContact O-N 3.48Å
759R83.6Confident81.5Confident170 Ų17099.3 Ų99.364%0.64249%0.487SS*.Hα-helixtrans-59.9-43.6173.7-71.8173.7-179.4175.8-0110.9Q755 W761 Q762 A763Q755-R759 VanDerWaalsContact O-CB 3.23Å; Q755-R759 WeakPolarHBondContact O-CB 3.32Å; Q755-R759 WeakPolarHBondContact O-CG 3.25Å; Q755-R759 PolarHBondContact O-N 3.31Å; R759-W761 VanDerWaalsContact C-N 3.33Å; R759-W761 PolarHBondContact O-N 3.3Å; R759-Q762 PolarHBondContact O-N 3.47Å; R759-A763 VanDerWaalsContact O-CB 3.24Å; R759-A763 WeakPolarHBondContact O-CB 3.46Å; R759-A763 PolarHBondContact O-N 2.89Å
760G83Confident81Confident17 Ų1797.3 Ų97.318%0.17548%0.48CS..Hα-helixtrans-63.5-36.717500000112.7S756 Y757 T758 R764S756-G760 WeakPolarHBondContact O-CA 3.5Å; S756-G760 PolarHBondContact O-N 2.95Å; Y757-G760 CarbonylContact O-C 3.54Å; Y757-G760 PolarHBondContact O-N 2.9Å; T758-G760 VanDerWaalsContact C-N 3.31Å; T758-G760 PolarHBondContact O-N 3.37Å; G760-R764 VanDerWaalsContact O-CB 3.26Å; G760-R764 WeakPolarHBondContact O-CB 3.3Å; G760-R764 WeakPolarHBondContact O-CG 3.21Å; G760-R764 PolarHBondContact O-N 3.2Å; G760-R764 PolarHBondContact O-NE 3.2Å; G760-R764 PolarHBondContact O-NH1 2.92Å
761W83.9Confident80Confident143 Ų143100.1 Ų100.154%0.54248%0.482SS..Hα-helixtrans-71.5-44.6176.8173.888.2000111.6Y757 T758 R759 R764 K765Y757-W761 VanDerWaalsContact O-CB 3.23Å; Y757-W761 WeakPolarHBondContact O-CB 3.48Å; Y757-W761 PolarHBondContact O-N 3.46Å; T758-W761 PolarHBondContact O-N 3.08Å; T758-W761 VanDerWaalsContact O-N 3.14Å; R759-W761 VanDerWaalsContact C-N 3.33Å; R759-W761 PolarHBondContact O-N 3.3Å; W761-R764 CarbonylContact O-C 3.56Å; W761-R764 PolarHBondContact O-N 3.3Å; W761-K765 HydrophobicContact CH2-CD 4.16Å; W761-K765 HydrophobicContact CZ2-CD 4.34Å; W761-K765 WeakPolarHBondContact O-CB 3.46Å; W761-K765 PolarHBondContact O-N 3.02Å
762Q81.7Confident79.3Confident113 Ų113105.1 Ų105.153%0.52850%0.495SS..Hα-helixtrans-58.3-47.6172.5-75.3176.5-31.700110.9T758 R759 R764 K765 L766T758-Q762 WeakPolarHBondContact O-CG 3.41Å; T758-Q762 PolarHBondContact O-N 3.48Å; R759-Q762 PolarHBondContact O-N 3.47Å; Q762-R764 VanDerWaalsContact C-N 3.35Å; Q762-R764 PolarHBondContact O-N 3.32Å; Q762-K765 PolarHBondContact O-N 3.06Å; Q762-L766 WeakPolarHBondContact O-CB 3.44Å; Q762-L766 PolarHBondContact O-N 2.99Å
763A78.4Confident78.4Confident58 Ų58107.2 Ų107.248%0.47950%0.5SS..Hα-helixtrans-62.6-38.5175.200000112.2R759 L767R759-A763 VanDerWaalsContact O-CB 3.24Å; R759-A763 WeakPolarHBondContact O-CB 3.46Å; R759-A763 PolarHBondContact O-N 2.89Å; A763-L767 WeakPolarHBondContact O-CA 3.46Å; A763-L767 WeakPolarHBondContact O-CB 3.26Å; A763-L767 PolarHBondContact O-N 3.28Å
764R78.6Confident77.4Confident114 Ų114107.8 Ų107.843%0.4350%0.5SS..Hα-helixtrans-69.4-32.8174.4-78.1-178.8-61.9-92.53.3112.8Y757 G760 W761 Q762 R768Y757-R764 PolarHBondContact O-NH2 3.4Å; G760-R764 VanDerWaalsContact O-CB 3.26Å; G760-R764 WeakPolarHBondContact O-CB 3.3Å; G760-R764 WeakPolarHBondContact O-CG 3.21Å; G760-R764 PolarHBondContact O-N 3.2Å; G760-R764 PolarHBondContact O-NE 3.2Å; G760-R764 PolarHBondContact O-NH1 2.92Å; W761-R764 CarbonylContact O-C 3.56Å; W761-R764 PolarHBondContact O-N 3.3Å; Q762-R764 VanDerWaalsContact C-N 3.35Å; Q762-R764 PolarHBondContact O-N 3.32Å; R764-R768 VanDerWaalsContact O-CG 3.25Å; R764-R768 WeakPolarHBondContact O-CG 3.14Å; R764-R768 PolarHBondContact O-N 2.95Å
765K80.8Confident76.2Confident120 Ų120110.4 Ų110.452%0.52250%0.504SS..Hα-helixtrans-69-51.3174.6-175.9-177.2174.3-173.50110.1W761 Q762 L767 R768 E769W761-K765 HydrophobicContact CH2-CD 4.16Å; W761-K765 HydrophobicContact CZ2-CD 4.34Å; W761-K765 WeakPolarHBondContact O-CB 3.46Å; W761-K765 PolarHBondContact O-N 3.02Å; Q762-K765 PolarHBondContact O-N 3.06Å; K765-L767 VanDerWaalsContact C-N 3.29Å; K765-L767 PolarHBondContact O-N 3.06Å; K765-R768 WeakPolarHBondContact O-CB 3.37Å; K765-R768 PolarHBondContact O-N 3.37Å; K765-E769 PolarHBondContact O-N 2.92Å
766L79.8Confident75.1Confident100 Ų100110.3 Ų110.352%0.52451%0.512SS..Hα-helixtrans-57.9-42.1172.7-176.565.9000111.2Q762 R768 E769 L770Q762-L766 WeakPolarHBondContact O-CB 3.44Å; Q762-L766 PolarHBondContact O-N 2.99Å; L766-R768 VanDerWaalsContact C-N 3.33Å; L766-R768 PolarHBondContact O-N 3.15Å; L766-E769 WeakPolarHBondContact O-CB 3.01Å; L766-E769 PolarHBondContact O-N 2.94Å; L766-L770 HydrophobicContact CG-CD1 4.05Å; L766-L770 HydrophobicContact CG-CG 4.41Å; L766-L770 WeakPolarHBondContact O-CB 3.37Å; L766-L770 WeakPolarHBondContact O-CG 3.34Å; L766-L770 PolarHBondContact O-N 3.11Å
767L74.3Confident74Confident80 Ų80113.4 Ų113.442%0.41952%0.519SS..Hα-helixtrans-65.3-32.2174.6-178.965.8000112.4A763 K765 E769 K771A763-L767 WeakPolarHBondContact O-CA 3.46Å; A763-L767 WeakPolarHBondContact O-CB 3.26Å; A763-L767 PolarHBondContact O-N 3.28Å; K765-L767 VanDerWaalsContact C-N 3.29Å; K765-L767 PolarHBondContact O-N 3.06Å; L767-E769 VanDerWaalsContact C-N 3.34Å; L767-K771 HydrophobicContact CD1-CD 4.37Å; L767-K771 HydrophobicContact CD1-CG 4.07Å; L767-K771 HydrophobicContact CG-CD 4.02Å; L767-K771 HydrophobicContact CG-CG 4.14Å; L767-K771 WeakPolarHBondContact O-CA 3.31Å; L767-K771 WeakPolarHBondContact O-CB 3.23Å; L767-K771 WeakPolarHBondContact O-CG 3.26Å; L767-K771 PolarHBondContact O-N 3Å
768R75.7Confident72.4Confident184 Ų184109.2 Ų109.269%0.69451%0.505SS*.Hα-helixtrans-68.8-37.3174-78.5170.7-168.8-172.62.1111.1R764 K765 L766 K771 Y772R764-R768 VanDerWaalsContact O-CG 3.25Å; R764-R768 WeakPolarHBondContact O-CG 3.14Å; R764-R768 PolarHBondContact O-N 2.95Å; K765-R768 WeakPolarHBondContact O-CB 3.37Å; K765-R768 PolarHBondContact O-N 3.37Å; L766-R768 VanDerWaalsContact C-N 3.33Å; L766-R768 PolarHBondContact O-N 3.15Å; R768-K771 PolarHBondContact O-N 2.94Å; R768-Y772 WeakPolarHBondContact O-CB 3.24Å; R768-Y772 PolarHBondContact O-N 2.92Å
769E74.4Confident71.3Confident117 Ų117109.2 Ų109.255%0.54751%0.512SS..Hα-helixtrans-68.1-48.7176-154.7155.3-155.700110.8K765 L766 L767 K771 Y772 Q773K765-E769 PolarHBondContact O-N 2.92Å; L766-E769 WeakPolarHBondContact O-CB 3.01Å; L766-E769 PolarHBondContact O-N 2.94Å; L767-E769 VanDerWaalsContact C-N 3.34Å; E769-K771 VanDerWaalsContact C-N 3.35Å; E769-K771 PolarHBondContact O-N 2.73Å; E769-Y772 WeakPolarHBondContact O-CB 3.45Å; E769-Y772 PolarHBondContact O-N 3.33Å; E769-Y772 VanDerWaalsContact O-N 3.15Å; E769-Q773 PolarHBondContact O-N 3.09Å
770L72.8Confident70Confident85 Ų85106.6 Ų106.645%0.44552%0.515SS..Hα-helixtrans-64.3-33.1170.6-68.6173.3000112.6L766 Y772 K774L766-L770 HydrophobicContact CG-CD1 4.05Å; L766-L770 HydrophobicContact CG-CG 4.41Å; L766-L770 WeakPolarHBondContact O-CB 3.37Å; L766-L770 WeakPolarHBondContact O-CG 3.34Å; L766-L770 PolarHBondContact O-N 3.11Å; L770-Y772 VanDerWaalsContact C-N 3.33Å; L770-K774 WeakPolarHBondContact O-CA 3.33Å; L770-K774 WeakPolarHBondContact O-CB 3.2Å; L770-K774 PolarHBondContact O-N 3.24Å
771K64.3Low68.9Low112 Ų112109.6 Ų109.649%0.48753%0.53SS..Hα-helixtrans-74.5-22.8173.7-84179.9175.6-172.70112.4L767 R768 E769 K775L767-K771 HydrophobicContact CD1-CD 4.37Å; L767-K771 HydrophobicContact CD1-CG 4.07Å; L767-K771 HydrophobicContact CG-CD 4.02Å; L767-K771 HydrophobicContact CG-CG 4.14Å; L767-K771 WeakPolarHBondContact O-CA 3.31Å; L767-K771 WeakPolarHBondContact O-CB 3.23Å; L767-K771 WeakPolarHBondContact O-CG 3.26Å; L767-K771 PolarHBondContact O-N 3Å; R768-K771 PolarHBondContact O-N 2.94Å; E769-K771 VanDerWaalsContact C-N 3.35Å; E769-K771 PolarHBondContact O-N 2.73Å; K771-K775 WeakPolarHBondContact O-CA 3.44Å; K771-K775 WeakPolarHBondContact O-CB 3.42Å; K771-K775 WeakPolarHBondContact O-CG 3.35Å; K771-K775 PolarHBondContact O-N 2.84Å
772Y70.6Confident67.4Low170 Ų170105.9 Ų105.967%0.66752%0.523SS*.Hα-helixtrans-73.6-46.7170.4-179.7-99.7000109.5R768 E769 L770 K774 K775 C776R768-Y772 WeakPolarHBondContact O-CB 3.24Å; R768-Y772 PolarHBondContact O-N 2.92Å; E769-Y772 WeakPolarHBondContact O-CB 3.45Å; E769-Y772 PolarHBondContact O-N 3.33Å; E769-Y772 VanDerWaalsContact O-N 3.15Å; L770-Y772 VanDerWaalsContact C-N 3.33Å; Y772-K774 PolarHBondContact O-N 3.43Å; Y772-K775 WeakPolarHBondContact O-CB 3.49Å; Y772-K775 PolarHBondContact O-N 3.07Å; Y772-K775 VanDerWaalsContact O-N 3.15Å; Y772-C776 PolarHBondContact O-N 3.24Å
773Q67.5Low66.3Low113 Ų113107.9 Ų107.953%0.52854%0.535SS..Hα-helixtrans-58.7-47170.8-69.5176-16.500111.9E769 K775 C776 E777E769-Q773 PolarHBondContact O-N 3.09Å; Q773-K775 VanDerWaalsContact C-N 3.33Å; Q773-K775 PolarHBondContact O-N 2.89Å; Q773-C776 VanDerWaalsContact O-CB 3.31Å; Q773-C776 WeakPolarHBondContact O-CB 3.41Å; Q773-C776 PolarHBondContact O-N 2.88Å; Q773-C776 VanDerWaalsContact O-N 3.14Å; Q773-E777 PolarHBondContact O-N 2.87Å
774K61.1Low65.1Low102 Ų102108.3 Ų108.344%0.44354%0.539SS..Hα-helixtrans-71.1-21.7176.2-165.2175-171.9-153.50112.7L770 Y772 C776 E777 E778L770-K774 WeakPolarHBondContact O-CA 3.33Å; L770-K774 WeakPolarHBondContact O-CB 3.2Å; L770-K774 PolarHBondContact O-N 3.24Å; Y772-K774 PolarHBondContact O-N 3.43Å; K774-C776 VanDerWaalsContact C-N 3.31Å; K774-E777 CarbonylContact O-C 3.52Å; K774-E777 PolarHBondContact O-N 2.83Å; K774-E778 HydrophobicContact CD-CG 4.35Å; K774-E778 VanDerWaalsContact CD-OE1 3.31Å; K774-E778 WeakPolarHBondContact CD-OE1 3.41Å; K774-E778 WeakPolarHBondContact CE-OE1 3.11Å; K774-E778 HydrophobicContact CG-CG 3.81Å; K774-E778 IonicContact NZ-OE1 3.59Å; K774-E778 PolarHBondContact NZ-OE1 2.95Å; K774-E778 WeakPolarHBondContact O-CA 3.4Å; K774-E778 WeakPolarHBondContact O-CB 3.43Å; K774-E778 WeakPolarHBondContact O-CG 3.21Å; K774-E778 PolarHBondContact O-N 3.24Å
775K59Low64Low148 Ų148105.9 Ų105.964%0.64354%0.544SS*.Hα-helixtrans-70.6-29.1169.5-92.9176.7175.1-169.90111.9K771 Y772 Q773 A779K771-K775 WeakPolarHBondContact O-CA 3.44Å; K771-K775 WeakPolarHBondContact O-CB 3.42Å; K771-K775 WeakPolarHBondContact O-CG 3.35Å; K771-K775 PolarHBondContact O-N 2.84Å; Y772-K775 WeakPolarHBondContact O-CB 3.49Å; Y772-K775 PolarHBondContact O-N 3.07Å; Y772-K775 VanDerWaalsContact O-N 3.15Å; Q773-K775 VanDerWaalsContact C-N 3.33Å; Q773-K775 PolarHBondContact O-N 2.89Å; K775-A779 WeakPolarHBondContact O-CB 3.44Å; K775-A779 PolarHBondContact O-N 2.85Å; K775-A779 VanDerWaalsContact O-N 3.08Å
776C58.3Low63Low84 Ų84108 Ų10857%0.56855%0.553SS**Hα-helixtrans-68.7-37.5168.5-60.80000111.3Y772 Q773 K774Y772-C776 PolarHBondContact O-N 3.24Å; Q773-C776 VanDerWaalsContact O-CB 3.31Å; Q773-C776 WeakPolarHBondContact O-CB 3.41Å; Q773-C776 PolarHBondContact O-N 2.88Å; Q773-C776 VanDerWaalsContact O-N 3.14Å; K774-C776 VanDerWaalsContact C-N 3.31Å
777E58.6Low61.9Low130 Ų130113.6 Ų113.661%0.60757%0.567SS**Hα-helixtrans-79.2-34.8175.6-65.3178.3158.400113.8Q773 K774 V780 T781Q773-E777 PolarHBondContact O-N 2.87Å; K774-E777 CarbonylContact O-C 3.52Å; K774-E777 PolarHBondContact O-N 2.83Å; E777-V780 WeakPolarHBondContact O-CA 3.36Å; E777-V780 VanDerWaalsContact O-CB 3.25Å; E777-V780 WeakPolarHBondContact O-CB 3.47Å; E777-V780 PolarHBondContact O-N 2.83Å; E777-V780 VanDerWaalsContact O-N 3.11Å; E777-T781 PolarHBondContact O-N 3.29Å; E777-T781 PolarHBondContact O-OG1 2.9Å
778E51.4Low61Low67 Ų67116.4 Ų116.431%0.31358%0.578SS.*Hα-helixtrans-79-19.5180-82.9171.8175.500111.3K774 V780 T781 T782K774-E778 HydrophobicContact CD-CG 4.35Å; K774-E778 VanDerWaalsContact CD-OE1 3.31Å; K774-E778 WeakPolarHBondContact CD-OE1 3.41Å; K774-E778 WeakPolarHBondContact CE-OE1 3.11Å; K774-E778 HydrophobicContact CG-CG 3.81Å; K774-E778 IonicContact NZ-OE1 3.59Å; K774-E778 PolarHBondContact NZ-OE1 2.95Å; K774-E778 WeakPolarHBondContact O-CA 3.4Å; K774-E778 WeakPolarHBondContact O-CB 3.43Å; K774-E778 WeakPolarHBondContact O-CG 3.21Å; K774-E778 PolarHBondContact O-N 3.24Å; E778-V780 PolarHBondContact O-N 2.79Å; E778-T781 WeakPolarHBondContact CA-OG1 3.47Å; E778-T781 PolarHBondContact O-N 3.15Å; E778-T782 WeakPolarHBondContact O-CA 3.26Å; E778-T782 WeakPolarHBondContact O-CB 3.34Å; E778-T782 PolarHBondContact O-N 3.04Å; E778-T782 PolarHBondContact O-OG1 2.91Å
779A59.8Low60.1Low66 Ų66109.1 Ų109.155%0.54556%0.561SS.*Hα-helixtrans-59.3-34162.500000111.1K775K775-A779 WeakPolarHBondContact O-CB 3.44Å; K775-A779 PolarHBondContact O-N 2.85Å; K775-A779 VanDerWaalsContact O-N 3.08Å
780V57.1Low59.7Low116 Ų116108.5 Ų108.570%0.70357%0.565SS**Hα-helixtrans-77.3-33.3176.2-176.30000111.7E777 E778E777-V780 WeakPolarHBondContact O-CA 3.36Å; E777-V780 VanDerWaalsContact O-CB 3.25Å; E777-V780 WeakPolarHBondContact O-CB 3.47Å; E777-V780 PolarHBondContact O-N 2.83Å; E777-V780 VanDerWaalsContact O-N 3.11Å; E778-V780 PolarHBondContact O-N 2.79Å
781T58.3Low59Low80 Ų80112.6 Ų112.649%0.49158%0.582SS.*Hα-helixtrans-96-19.3-177.32.40000115.5E777 E778 I783 A784 A785E777-T781 PolarHBondContact O-N 3.29Å; E777-T781 PolarHBondContact O-OG1 2.9Å; E778-T781 WeakPolarHBondContact CA-OG1 3.47Å; E778-T781 PolarHBondContact O-N 3.15Å; T781-I783 VanDerWaalsContact C-N 3.3Å; T781-I783 PolarHBondContact O-N 3.48Å; T781-A784 WeakPolarHBondContact O-CA 3.41Å; T781-A784 WeakPolarHBondContact O-CB 3.33Å; T781-A784 PolarHBondContact O-N 3.42Å; T781-A785 PolarHBondContact O-N 3.32Å
782T52.3Low58.7Low65 Ų65113.1 Ų113.140%0.39959%0.594SS.*Hα-helixtrans-74.7-19.6-177.8-62.20000112.5E778 A784 F786E778-T782 WeakPolarHBondContact O-CA 3.26Å; E778-T782 WeakPolarHBondContact O-CB 3.34Å; E778-T782 PolarHBondContact O-N 3.04Å; E778-T782 PolarHBondContact O-OG1 2.91Å; T782-A784 PolarHBondContact O-N 2.9Å; T782-F786 HydrophobicContact CG2-CD2 3.86Å; T782-F786 HydrophobicContact CG2-CE2 4.17Å
783I58.6Low58Low154 Ų154114.8 Ų114.879%0.7960%0.599SS**Hα-helixtrans-60.2-37.3162.4-66.3174.9000110.5T781T781-I783 VanDerWaalsContact C-N 3.3Å; T781-I783 PolarHBondContact O-N 3.48Å
784A54.6Low57.5Low68 Ų68120.5 Ų120.556%0.56262%0.616SS**Hα-helixtrans-82.9-24.6-173.900000114.5T781 T782T781-A784 WeakPolarHBondContact O-CA 3.41Å; T781-A784 WeakPolarHBondContact O-CB 3.33Å; T781-A784 PolarHBondContact O-N 3.42Å; T782-A784 PolarHBondContact O-N 2.9Å
785A55.3Low57.3Low63 Ų63123.9 Ų123.952%0.52163%0.633SS.*Hα-helixtrans-106.3-15.9-166.100000116.1T781 W787 H788T781-A785 PolarHBondContact O-N 3.32Å; A785-W787 PolarHBondContact O-N 3.07Å; A785-W787 VanDerWaalsContact O-N 3.11Å; A785-H788 PolarHBondContact O-N 3.46Å
786F59.2Low56.9Low163 Ų163127.3 Ų127.372%0.71564%0.644SS**THydrogen-bonded Turntrans-60.7-21.9179-122.8-90.2000113.6T782T782-F786 HydrophobicContact CG2-CD2 3.86Å; T782-F786 HydrophobicContact CG2-CE2 4.17Å
787W55.9Low56.7Low218 Ų218135 Ų13583%0.82666%0.661SS**THydrogen-bonded Turntrans-69-38.2179.9-179.9-122.1000113.9A785A785-W787 PolarHBondContact O-N 3.07Å; A785-W787 VanDerWaalsContact O-N 3.11Å
788H56.8Low56.5Low139 Ų139137.3 Ų137.364%0.64467%0.669SS**THydrogen-bonded Turntrans-92-22.3-165.2-69.9-67.1000115.3A785A785-H788 PolarHBondContact O-N 3.46Å
789G56.5Low56.3Low32 Ų32142.6 Ų142.633%0.3369%0.691SS.*SBendtrans-99.3-3.8-164.900000117.6Q791 R793G789-Q791 VanDerWaalsContact C-N 3.27Å; G789-Q791 PolarHBondContact O-N 3.16Å; G789-R793 PolarHBondContact O-NE 2.81Å; G789-R793 PolarHBondContact O-NH2 3.31Å; G789-R793 VanDerWaalsContact O-NH2 3.15Å
790T65.1Low55.7Low104 Ų104149.3 Ų149.364%0.63871%0.708SS**SBendtrans-73.3-21-177.3-57.70000112.3
791Q57.9Low55.6Low170 Ų170155 Ų15579%0.79472%0.717SS**SBendtrans-70.3-43.2-172.7-113.7-168.6-21.800114.7G789G789-Q791 VanDerWaalsContact C-N 3.27Å; G789-Q791 PolarHBondContact O-N 3.16Å
792V57.9Low55.4Low124 Ų124154.9 Ų154.975%0.75272%0.724SS**G310 helixtrans-84.5-20.7-161.4-177.70000113.4R794V792-R794 VanDerWaalsContact C-N 3.33Å; V792-R794 PolarHBondContact O-N 2.79Å
793R56.9Low55.6Low205 Ų205158.9 Ų158.977%0.77474%0.743SS**G310 helixtrans-82.11.8-171.1-77.1177.9-83.8-164.5-3.8115.6G789G789-R793 PolarHBondContact O-NE 2.81Å; G789-R793 PolarHBondContact O-NH2 3.31Å; G789-R793 VanDerWaalsContact O-NH2 3.15Å
794R57Low55.4Low232 Ų232155.3 Ų155.388%0.87574%0.737SS**G310 helixtrans-78.8-22.1-177-102.6178.2176.8178.1-0.5115.3V792V792-R794 VanDerWaalsContact C-N 3.33Å; V792-R794 PolarHBondContact O-N 2.79Å
795E57.2Low55.5Low173 Ų173154.3 Ų154.381%0.80873%0.732SS**SBendtrans-90.8-36.5-163.5-71.9-160139.300116.7R797E795-R797 PolarHBondContact O-N 2.82Å
796Y51.3Low55.7Low221 Ų221158.8 Ų158.887%0.86774%0.74SS**G310 helixtrans-94.95.1-155.3-150.4-105.1000117.1K798Y796-K798 PolarHBondContact O-N 2.6Å
797R53.1Low55.5Low244 Ų244159.9 Ų159.992%0.92175%0.745SS**G310 helixtrans-84.16.8-171.6-106-179.6-177.31740.4116.5E795E795-R797 PolarHBondContact O-N 2.82Å
798K54.3Low55.7Low179 Ų179155.3 Ų155.378%0.77874%0.735SS**G310 helixtrans-83.7-7.9-169.2-84.9-177.5177.5176.20118.4Y796Y796-K798 PolarHBondContact O-N 2.6Å
799F46.4Very low55.9Low178 Ų178155.3 Ų155.378%0.78173%0.731SS**  trans-116.350.9-166.9-69.4-77.4000116.8R801F799-R801 PolarHBondContact O-N 2.91Å; F799-R801 VanDerWaalsContact O-N 3.14Å
800F48.3Very low56.1Low207 Ų207158.5 Ų158.591%0.90874%0.74SS**  trans-65.21.5165.6-174.8-102.9000114.4A802F800-A802 PolarHBondContact O-N 2.82Å
801R54.6Low56.3Low237 Ų237160.3 Ų160.389%0.89474%0.739SS**  trans-83.620.9-176.3-74.7-174.4178.1162.9-0.5116.5F799F799-R801 PolarHBondContact O-N 2.91Å; F799-R801 VanDerWaalsContact O-N 3.14Å
802A54.7Low56.7Low76 Ų76155.2 Ų155.263%0.62872%0.72SS**  trans-90.8-17.9-167.600000116.6F800F800-A802 PolarHBondContact O-N 2.82Å
803N56.5Low57.2Low150 Ų150151.1 Ų151.180%0.80269%0.693SS**THydrogen-bonded Turntrans-89.8-3.1-165.7-82.5-26000116.7G805N803-G805 VanDerWaalsContact C-N 3.33Å
804A54.6Low57.8Low79 Ų79148.4 Ų148.465%0.65369%0.689SS**THydrogen-bonded Turntrans-73.2-23.6171.200000112.9K806A804-K806 PolarHBondContact O-N 3.41Å
805G56.9Low58.7Low46 Ų46145 Ų14547%0.47468%0.676SS.*Hα-helixtrans-70.4-31.5-173.900000115.4N803 K807 Y809N803-G805 VanDerWaalsContact C-N 3.33Å; G805-K807 PolarHBondContact O-N 3.46Å; G805-Y809 VanDerWaalsContact O-CB 3.31Å; G805-Y809 WeakPolarHBondContact O-CB 3.15Å; G805-Y809 PolarHBondContact O-N 3.09Å; G805-Y809 VanDerWaalsContact O-N 3.13Å
806K59.6Low59.3Low158 Ų158138.4 Ų138.469%0.68765%0.646SS**Hα-helixtrans-71.1-29-170.6-158175.7-174.6178.80113.6A804A804-K806 PolarHBondContact O-N 3.41Å
807K54.8Low60.2Low186 Ų186131.3 Ų131.381%0.80962%0.622SS**Hα-helixtrans-78.3-41.8-179.9-85.3-177.7173.2-179.80112.6G805 Y809G805-K807 PolarHBondContact O-N 3.46Å; K807-Y809 VanDerWaalsContact C-N 3.29Å; K807-Y809 PolarHBondContact O-N 3.08Å
808I58.4Low61.1Low121 Ų121124.7 Ų124.762%0.62160%0.602SS**Hα-helixtrans-65.2-36.9174-62.7173.7000110.4N810 T812I808-N810 PolarHBondContact O-N 2.86Å; I808-T812 WeakPolarHBondContact O-CB 2.97Å; I808-T812 PolarHBondContact O-N 2.95Å; I808-T812 PolarHBondContact O-OG1 3.47Å
809Y62Low62.1Low140 Ų140123.2 Ų123.255%0.54960%0.595SS.*Hα-helixtrans-56.4-48.5178178.3-98.7000113.4G805 K807 T812 I813G805-Y809 VanDerWaalsContact O-CB 3.31Å; G805-Y809 WeakPolarHBondContact O-CB 3.15Å; G805-Y809 PolarHBondContact O-N 3.09Å; G805-Y809 VanDerWaalsContact O-N 3.13Å; K807-Y809 VanDerWaalsContact C-N 3.29Å; K807-Y809 PolarHBondContact O-N 3.08Å; Y809-T812 PolarHBondContact O-N 3.35Å; Y809-I813 HydrophobicContact CE1-CG1 4.24Å; Y809-I813 HydrophobicContact CE2-CD1 4.34Å; Y809-I813 HydrophobicContact CE2-CG1 4.3Å; Y809-I813 VanDerWaalsContact O-CG1 3.32Å; Y809-I813 WeakPolarHBondContact O-CG1 3.35Å; Y809-I813 PolarHBondContact O-N 2.99Å; Y809-I813 VanDerWaalsContact O-N 3.14Å
810N61Low63.6Low98 Ų98115.2 Ų115.252%0.52456%0.56SS.*Hα-helixtrans-68.7-39.2-174.8-73.2-18000113.7I808I808-N810 PolarHBondContact O-N 2.86Å
811F68.9Low64.7Low142 Ų142109.9 Ų109.962%0.62354%0.537SS*.Hα-helixtrans-66.8-39176.5177.4-101.3000112Q814 R815F811-Q814 PolarHBondContact O-N 2.95Å; F811-R815 PolarHBondContact O-N 2.86Å
812T65.6Low65.8Low64 Ų64104.3 Ų104.339%0.39352%0.524SS..Hα-helixtrans-67.1-40.4-179.5-50.10000111.7I808 Y809 Q814 R815 I816I808-T812 WeakPolarHBondContact O-CB 2.97Å; I808-T812 PolarHBondContact O-N 2.95Å; I808-T812 PolarHBondContact O-OG1 3.47Å; Y809-T812 PolarHBondContact O-N 3.35Å; T812-Q814 VanDerWaalsContact C-N 3.33Å; T812-Q814 PolarHBondContact O-N 2.96Å; T812-R815 PolarHBondContact O-N 3.28Å; T812-I816 HydrophobicContact CG2-CD1 3.84Å; T812-I816 WeakPolarHBondContact O-CB 3.32Å; T812-I816 WeakPolarHBondContact O-CD1 3.39Å; T812-I816 WeakPolarHBondContact O-CG1 3.26Å; T812-I816 PolarHBondContact O-N 3.24Å; T812-I816 VanDerWaalsContact O-N 3.13Å
813I68.6Low66.6Low38 Ų38102.1 Ų102.120%0.19551%0.509CS..Hα-helixtrans-60.1-40.7177-71-69.1000111.9Y809 I816 M817 F845Y809-I813 HydrophobicContact CE1-CG1 4.24Å; Y809-I813 HydrophobicContact CE2-CD1 4.34Å; Y809-I813 HydrophobicContact CE2-CG1 4.3Å; Y809-I813 VanDerWaalsContact O-CG1 3.32Å; Y809-I813 WeakPolarHBondContact O-CG1 3.35Å; Y809-I813 PolarHBondContact O-N 2.99Å; Y809-I813 VanDerWaalsContact O-N 3.14Å; I813-I816 PolarHBondContact O-N 2.84Å; I813-M817 HydrophobicContact CG2-SD 4.35Å; I813-M817 WeakPolarHBondContact O-CG 3.42Å; I813-M817 PolarHBondContact O-N 3.43Å; I813-M817 VanDerWaalsContact O-N 3.08Å; I813-F845 HydrophobicContact CD1-CD1 3.78Å; I813-F845 HydrophobicContact CD1-CD2 4.18Å; I813-F845 HydrophobicContact CD1-CE1 3.5Å; I813-F845 VanDerWaalsContact CD1-CE1 3.5Å; I813-F845 HydrophobicContact CD1-CE2 3.94Å; I813-F845 HydrophobicContact CD1-CG 4.1Å; I813-F845 HydrophobicContact CD1-CZ 3.59Å; I813-F845 HydrophobicContact CG2-CE2 3.8Å; I813-F845 HydrophobicContact CG2-CZ 4.05Å
814Q69.9Low67.4Low147 Ų14795.8 Ų95.869%0.68748%0.475SS*.Hα-helixtrans-68.1-42.1-176.1-138176.73.500112.6F811 T812 M817 Q818F811-Q814 PolarHBondContact O-N 2.95Å; T812-Q814 VanDerWaalsContact C-N 3.33Å; T812-Q814 PolarHBondContact O-N 2.96Å; Q814-M817 PolarHBondContact O-N 2.94Å; Q814-Q818 PolarHBondContact O-N 3.3Å
815R75.3Confident68.2Low160 Ų160100.3 Ų100.360%0.60448%0.48SS*.Hα-helixtrans-68.2-34174.5-82.1-69.1-167.6-179.96.2112.9F811 T812 Q818 K819F811-R815 PolarHBondContact O-N 2.86Å; T812-R815 PolarHBondContact O-N 3.28Å; R815-Q818 PolarHBondContact O-N 3.46Å; R815-K819 PolarHBondContact O-N 3.44Å; R815-K819 VanDerWaalsContact O-N 3.17Å
816I71.1Confident68.8Low35 Ų35102.5 Ų102.518%0.17949%0.488CS..Hα-helixtrans-64.4-43.3175.9-75171.8000111.6T812 I813 Q818 K819 Y820 Y843 F845T812-I816 HydrophobicContact CG2-CD1 3.84Å; T812-I816 WeakPolarHBondContact O-CB 3.32Å; T812-I816 WeakPolarHBondContact O-CD1 3.39Å; T812-I816 WeakPolarHBondContact O-CG1 3.26Å; T812-I816 PolarHBondContact O-N 3.24Å; T812-I816 VanDerWaalsContact O-N 3.13Å; I813-I816 PolarHBondContact O-N 2.84Å; I816-Q818 VanDerWaalsContact C-N 3.32Å; I816-Q818 PolarHBondContact O-N 2.95Å; I816-K819 PolarHBondContact O-N 3.08Å; I816-Y820 WeakPolarHBondContact O-CB 3.09Å; I816-Y820 PolarHBondContact O-N 2.84Å; I816-Y820 VanDerWaalsContact O-N 3.08Å; I816-Y843 HydrophobicContact CB-CE1 4.5Å; I816-Y843 HydrophobicContact CD1-CD1 4.33Å; I816-Y843 HydrophobicContact CD1-CE1 4.21Å; I816-Y843 HydrophobicContact CG1-CD1 4.48Å; I816-Y843 HydrophobicContact CG1-CE1 4.1Å; I816-Y843 HydrophobicContact CG2-CD1 3.41Å; I816-Y843 VanDerWaalsContact CG2-CD1 3.41Å; I816-Y843 HydrophobicContact CG2-CD2 3.3Å; I816-Y843 HydrophobicContact CG2-CE1 3.64Å; I816-Y843 HydrophobicContact CG2-CE2 3.53Å; I816-Y843 HydrophobicContact CG2-CG 3.24Å; I816-F845 HydrophobicContact CB-CE1 4.46Å; I816-F845 HydrophobicContact CB-CZ 4.19Å; I816-F845 HydrophobicContact CG2-CE1 3.66Å; I816-F845 HydrophobicContact CG2-CZ 3.58Å
817M69.6Low69.2Low72 Ų72102.1 Ų102.136%0.35549%0.486SS..Hα-helixtrans-60-42.4177-69.5-179.473.700112I813 Q814 Y820 F821 F845 L846I813-M817 HydrophobicContact CG2-SD 4.35Å; I813-M817 WeakPolarHBondContact O-CG 3.42Å; I813-M817 PolarHBondContact O-N 3.43Å; I813-M817 VanDerWaalsContact O-N 3.08Å; Q814-M817 PolarHBondContact O-N 2.94Å; M817-Y820 PolarHBondContact O-N 3.43Å; M817-F821 WeakPolarHBondContact O-CD2 3.31Å; M817-F821 PolarHBondContact O-N 2.77Å; M817-F845 HydrophobicContact CG-CE2 3.89Å; M817-F845 HydrophobicContact CG-CZ 4.18Å; M817-F845 HydrophobicContact SD-CE2 4.4Å; M817-L846 HydrophobicContact CE-CD2 4.03Å; M817-L846 HydrophobicContact CG-CD1 4.23Å; M817-L846 HydrophobicContact CG-CD2 4.06Å
818Q72.5Confident70.2Confident105 Ų10597.1 Ų97.149%0.49147%0.468SS..Hα-helixtrans-65.1-43.9179.9-164.4-179.531.800112.4Q814 R815 I816 Y820 L822Q814-Q818 PolarHBondContact O-N 3.3Å; R815-Q818 PolarHBondContact O-N 3.46Å; I816-Q818 VanDerWaalsContact C-N 3.32Å; I816-Q818 PolarHBondContact O-N 2.95Å; Q818-Y820 VanDerWaalsContact C-N 3.31Å; Q818-Y820 PolarHBondContact O-N 3.44Å; Q818-L822 HydrophobicContact CG-CD1 4.36Å; Q818-L822 PolarHBondContact O-N 3.09Å
819K74.8Confident70.8Confident149 Ų14992.2 Ų92.265%0.64844%0.444SS*.Hα-helixtrans-63.5-36.2176.7-167.8176.9-177.9177.50112.2R815 I816 G823R815-K819 PolarHBondContact O-N 3.44Å; R815-K819 VanDerWaalsContact O-N 3.17Å; I816-K819 PolarHBondContact O-N 3.08Å; K819-G823 PolarHBondContact O-N 3.38Å; K819-G823 VanDerWaalsContact O-N 3.08Å
820Y77.1Confident71.3Confident9 Ų988.8 Ų88.84%0.03544%0.441CS..Hα-helixtrans-64.2-50.1179.3167.9-99.5000113.1I816 M817 Q818 G823 L824 P842 L846 H850 L853I816-Y820 WeakPolarHBondContact O-CB 3.09Å; I816-Y820 PolarHBondContact O-N 2.84Å; I816-Y820 VanDerWaalsContact O-N 3.08Å; M817-Y820 PolarHBondContact O-N 3.43Å; Q818-Y820 VanDerWaalsContact C-N 3.31Å; Q818-Y820 PolarHBondContact O-N 3.44Å; Y820-G823 PolarHBondContact O-N 2.79Å; Y820-L824 WeakPolarHBondContact O-CB 3.35Å; Y820-L824 PolarHBondContact O-N 2.97Å; Y820-P842 HydrophobicContact CD2-CG 4.08Å; Y820-L846 HydrophobicContact CD1-CD1 3.66Å; Y820-L846 HydrophobicContact CD2-CD1 4.41Å; Y820-L846 HydrophobicContact CE1-CD1 4.27Å; Y820-L846 HydrophobicContact CG-CD1 3.75Å; Y820-H850 AromaticContact CE2-ND1 3.48Å; Y820-H850 WeakPolarHBondContact CE2-ND1 3.24Å; Y820-H850 AromaticContact CZ-ND1 3.5Å; Y820-H850 WeakPolarHBondContact OH-CA 3.41Å; Y820-H850 WeakPolarHBondContact OH-CB 3.29Å; Y820-H850 PolarHBondContact OH-ND1 3.49Å; Y820-L853 HydrophobicContact CE1-CD1 4.19Å
821F73.2Confident71.9Confident95 Ų9587.9 Ų87.942%0.41743%0.434SS..Hα-helixtrans-66.8-39.2-178.4-72.7-70.2000113.1M817 L824 K825 V849 L853M817-F821 WeakPolarHBondContact O-CD2 3.31Å; M817-F821 PolarHBondContact O-N 2.77Å; F821-L824 PolarHBondContact O-N 2.89Å; F821-K825 PolarHBondContact O-N 3.28Å; F821-V849 HydrophobicContact CE1-CG1 4.17Å; F821-V849 HydrophobicContact CZ-CG1 3.9Å; F821-L853 HydrophobicContact CD1-CD1 4.26Å; F821-L853 HydrophobicContact CE1-CD1 3.73Å
822L75.9Confident72.1Confident120 Ų12083.2 Ų83.263%0.62842%0.419SS*.Hα-helixtrans-67.8-39.2177.5-70.3170.1000111.9Q818Q818-L822 HydrophobicContact CG-CD1 4.36Å; Q818-L822 PolarHBondContact O-N 3.09Å
823G72.8Confident72.3Confident30 Ų3081.2 Ų81.231%0.30941%0.407SS..Hα-helixtrans-65.4-39.6174.700000113.2K819 Y820 K825 S826 K827K819-G823 PolarHBondContact O-N 3.38Å; K819-G823 VanDerWaalsContact O-N 3.08Å; Y820-G823 PolarHBondContact O-N 2.79Å; G823-K825 VanDerWaalsContact C-N 3.32Å; G823-K825 PolarHBondContact O-N 2.9Å; G823-S826 PolarHBondContact O-N 3.4Å; G823-S826 PolarHBondContact O-OG 2.62Å; G823-K827 PolarHBondContact O-N 3.5Å
824L72.1Confident72.4Confident18 Ų1886.5 Ų86.59%0.09443%0.434CS..Hα-helixtrans-61.4-38.3-179-165.973.7000112.4Y820 F821 S826 K827 L828 W838 P839 L853Y820-L824 WeakPolarHBondContact O-CB 3.35Å; Y820-L824 PolarHBondContact O-N 2.97Å; F821-L824 PolarHBondContact O-N 2.89Å; L824-S826 VanDerWaalsContact C-N 3.29Å; L824-S826 PolarHBondContact O-N 2.77Å; L824-K827 PolarHBondContact O-N 2.84Å; L824-L828 WeakPolarHBondContact O-CG 3.45Å; L824-W838 HydrophobicContact CD1-CZ2 3.88Å; L824-W838 HydrophobicContact CD2-CZ2 3.97Å; L824-W838 HydrophobicContact CG-CZ2 4.27Å; L824-P839 HydrophobicContact CD1-CB 4.18Å; L824-P839 HydrophobicContact CD1-CG 3.99Å; L824-L853 HydrophobicContact CD2-CB 4.43Å; L824-L853 HydrophobicContact CD2-CD1 3.88Å
825K73.1Confident72.4Confident173 Ų17381.1 Ų81.175%0.75241%0.41SS*.Hα-helixtrans-58.2-38.8176.7-178.3-178.2175.2-175.80112.6F821 G823F821-K825 PolarHBondContact O-N 3.28Å; G823-K825 VanDerWaalsContact C-N 3.32Å; G823-K825 PolarHBondContact O-N 2.9Å
826S68.8Low71.9Confident92 Ų9281.7 Ų81.764%0.64342%0.417SS*.Hα-helixtrans-83-11.4-175.464.90000115G823 L824G823-S826 PolarHBondContact O-N 3.4Å; G823-S826 PolarHBondContact O-OG 2.62Å; L824-S826 VanDerWaalsContact C-N 3.29Å; L824-S826 PolarHBondContact O-N 2.77Å
827K68.8Low71.8Confident150 Ų15084.3 Ų84.365%0.65244%0.435SS*.THydrogen-bonded Turntrans-12424-172.7-63.6-173.2179.4-174.80113.4G823 L824 P839G823-K827 PolarHBondContact O-N 3.5Å; L824-K827 PolarHBondContact O-N 2.84Å; K827-P839 HydrophobicContact CB-CB 4.37Å; K827-P839 HydrophobicContact CB-CG 3.99Å; K827-P839 WeakPolarHBondContact O-CG 3.49Å
828L74.3Confident72.2Confident82 Ų8282.6 Ų82.643%0.42942%0.424SS..  trans-62.8139.2-176.2-73.9171000112.1L824 W838 F857L824-L828 WeakPolarHBondContact O-CG 3.45Å; L828-W838 HydrophobicContact CD2-CH2 3.82Å; L828-W838 HydrophobicContact CD2-CZ3 3.98Å; L828-F857 HydrophobicContact CB-CE2 4.39Å; L828-F857 HydrophobicContact CB-CZ 4.33Å; L828-F857 HydrophobicContact CD1-CE2 4.16Å; L828-F857 HydrophobicContact CD2-CD2 4.12Å; L828-F857 HydrophobicContact CD2-CE2 4.05Å; L828-F857 HydrophobicContact CD2-CZ 4.44Å; L828-F857 HydrophobicContact CG-CE2 4.44Å
829P71Confident72.4Confident18 Ų1878.8 Ų78.812%0.11741%0.409CS..  trans-68.4174.8-178.2-19.431.8000114.9T837 W838 F857P829-T837 WeakPolarHBondContact CB-O 3.43Å; P829-T837 WeakPolarHBondContact CG-O 3.45Å; P829-W838 HydrophobicContact CG-CE3 3.69Å; P829-W838 HydrophobicContact CG-CZ3 4.16Å; P829-F857 HydrophobicContact CG-CE1 4.41Å
830S73.7Confident72Confident68 Ų6875.9 Ų75.948%0.47641%0.412SS..  trans-55.3149.9177.2-178.80000112.7S832 D835 R861S830-S832 PolarHBondContact O-N 2.9Å; S830-S832 PolarHBondContact OG-N 3.39Å; S830-D835 WeakPolarHBondContact CB-OD2 3.3Å; S830-D835 PolarHBondContact N-OD2 3.44Å; S830-R861 PolarHBondContact O-NH1 3.46Å
831M73.6Confident71.5Confident79 Ų7984.4 Ų84.439%0.38944%0.444SS..SBendtrans-69.4-6.5174.6-68.2-59.8-6000113.3W860 R861 K864M831-W860 HydrophobicContact CE-CH2 4.01Å; M831-W860 HydrophobicContact CE-CZ3 3.73Å; M831-W860 HydrophobicContact SD-CH2 4.45Å; M831-W860 HydrophobicContact SD-CZ3 3.99Å; M831-R861 HydrophobicContact CE-CB 4.27Å; M831-K864 HydrophobicContact CE-CB 4.41Å; M831-K864 HydrophobicContact CE-CD 3.33Å; M831-K864 HydrophobicContact CE-CG 4.46Å
832S72.2Confident71.1Confident43 Ų4383.4 Ų83.430%0.30145%0.448SS..  trans-65.3126.6175.5-174.90000111.6S830 I834 D835 R861S830-S832 PolarHBondContact O-N 2.9Å; S830-S832 PolarHBondContact OG-N 3.39Å; S832-I834 PolarHBondContact O-N 3.01Å; S832-I834 WeakPolarHBondContact OG-CG1 3.28Å; S832-D835 WeakPolarHBondContact O-CB 3.24Å; S832-D835 PolarHBondContact O-N 3.14Å; S832-R861 VanDerWaalsContact O-CZ 3.31Å; S832-R861 PolarHBondContact O-NH1 3.08Å
833P70.1Confident71Confident23 Ų2381 Ų8115%0.14943%0.431CS..THydrogen-bonded Turntrans-60.6-30.1-179.4-24.733.4000114.1D835 H858 R861 Y865P833-D835 VanDerWaalsContact C-N 3.35Å; P833-H858 PolarHBondContact O-CE1 3.37Å; P833-H858 VanDerWaalsContact O-CE1 3.26Å; P833-R861 PolarHBondContact O-NH2 3.36Å; P833-Y865 VanDerWaalsContact CG-CB 3.44Å; P833-Y865 HydrophobicContact CG-CD1 3.54Å; P833-Y865 HydrophobicContact CG-CD2 3.73Å; P833-Y865 HydrophobicContact CG-CE1 4.16Å; P833-Y865 HydrophobicContact CG-CE2 4.33Å; P833-Y865 HydrophobicContact CG-CG 3.29Å
834I70.8Confident71Confident148 Ų14884.3 Ų84.376%0.75945%0.449SS*.THydrogen-bonded Turntrans-81-13.4-177.453.1166.9000113.4S832 K836S832-I834 PolarHBondContact O-N 3.01Å; S832-I834 WeakPolarHBondContact OG-CG1 3.28Å; I834-K836 PolarHBondContact O-N 2.89Å
835D69.1Low71.2Confident35 Ų3587.5 Ų87.519%0.18746%0.462CS..  trans-71.9102.3-178.6-177.55.4000110.7S830 S832 P833 T837 R861S830-D835 WeakPolarHBondContact CB-OD2 3.3Å; S830-D835 PolarHBondContact N-OD2 3.44Å; S832-D835 WeakPolarHBondContact O-CB 3.24Å; S832-D835 PolarHBondContact O-N 3.14Å; P833-D835 VanDerWaalsContact C-N 3.35Å; D835-T837 PolarHBondContact O-N 2.92Å; D835-T837 WeakPolarHBondContact OD1-CB 3.46Å; D835-T837 WeakPolarHBondContact OD1-CG2 3.4Å; D835-T837 PolarHBondContact OD1-N 3.14Å; D835-T837 PolarHBondContact OD1-OG1 2.8Å; D835-T837 PolarHBondContact OD2-OG1 3.29Å; D835-R861 PolarHBondContact O-NH1 3.24Å; D835-R861 PolarHBondContact O-NH2 3.21Å
836K66.4Low71.1Confident172 Ų17279.6 Ų79.675%0.74843%0.428SS*.  trans-79.6-3.8-179.8-66.5-177.8-177.8176.80113.1I834 R854I834-K836 PolarHBondContact O-N 2.89Å; K836-R854 PolarHBondContact O-NH2 3.32Å
837T67.6Low71.3Confident89 Ų8979.7 Ų79.755%0.54642%0.422SS..  trans-62.7138.3179.766.80000109.4P829 D835P829-T837 WeakPolarHBondContact CB-O 3.43Å; P829-T837 WeakPolarHBondContact CG-O 3.45Å; D835-T837 PolarHBondContact O-N 2.92Å; D835-T837 WeakPolarHBondContact OD1-CB 3.46Å; D835-T837 WeakPolarHBondContact OD1-CG2 3.4Å; D835-T837 PolarHBondContact OD1-N 3.14Å; D835-T837 PolarHBondContact OD1-OG1 2.8Å; D835-T837 PolarHBondContact OD2-OG1 3.29Å
838W78Confident71.6Confident36 Ų3675.3 Ų75.314%0.13642%0.419CS..  trans-144.3142174.3-169.6-110.3000105.4L824 L828 P829 A840 H850 L853 R854 F857L824-W838 HydrophobicContact CD1-CZ2 3.88Å; L824-W838 HydrophobicContact CD2-CZ2 3.97Å; L824-W838 HydrophobicContact CG-CZ2 4.27Å; L828-W838 HydrophobicContact CD2-CH2 3.82Å; L828-W838 HydrophobicContact CD2-CZ3 3.98Å; P829-W838 HydrophobicContact CG-CE3 3.69Å; P829-W838 HydrophobicContact CG-CZ3 4.16Å; W838-A840 PolarHBondContact O-N 3.16Å; W838-H850 AromaticContact CD1-CE1 3.28Å; W838-H850 AromaticContact CD1-ND1 3.98Å; W838-H850 AromaticContact CD1-NE2 3.33Å; W838-H850 VanDerWaalsContact CD1-NE2 3.33Å; W838-H850 AromaticContact NE1-CE1 3.28Å; W838-H850 PolarHBondContact NE1-CE1 3.05Å; W838-H850 VanDerWaalsContact NE1-CE1 3.28Å; W838-H850 AromaticContact NE1-ND1 3.55Å; W838-H850 AromaticContact NE1-NE2 3.71Å; W838-L853 HydrophobicContact CZ2-CB 4.16Å; W838-R854 HydrophobicContact CB-CG 4.21Å; W838-R854 HydrophobicContact CD2-CB 3.89Å; W838-R854 HydrophobicContact CD2-CG 3.85Å; W838-R854 HydrophobicContact CE3-CB 4.49Å; W838-R854 HydrophobicContact CE3-CG 4.26Å; W838-R854 HydrophobicContact CG-CB 4.08Å; W838-R854 HydrophobicContact CG-CG 3.82Å; W838-R854 HydrophobicContact CZ2-CB 4.24Å; W838-F857 HydrophobicContact CE3-CD1 4.17Å; W838-F857 HydrophobicContact CH2-CB 3.61Å; W838-F857 HydrophobicContact CH2-CD1 4.18Å; W838-F857 AromaticContact CH2-CG 3.9Å; W838-F857 HydrophobicContact CH2-CG 3.9Å; W838-F857 HydrophobicContact CZ3-CB 3.65Å; W838-F857 AromaticContact CZ3-CD1 3.36Å; W838-F857 HydrophobicContact CZ3-CD1 3.36Å; W838-F857 HydrophobicContact CZ3-CD2 4.41Å; W838-F857 HydrophobicContact CZ3-CE1 4.03Å; W838-F857 AromaticContact CZ3-CG 3.55Å; W838-F857 HydrophobicContact CZ3-CG 3.55Å
839P76.1Confident71.7Confident25 Ų2574.3 Ų74.316%0.16242%0.416CS..  trans-52.1137.8-177.3-30.739.9000111.2L824 K827 R841 H850L824-P839 HydrophobicContact CD1-CB 4.18Å; L824-P839 HydrophobicContact CD1-CG 3.99Å; K827-P839 HydrophobicContact CB-CB 4.37Å; K827-P839 HydrophobicContact CB-CG 3.99Å; K827-P839 WeakPolarHBondContact O-CG 3.49Å; P839-R841 PolarHBondContact O-N 2.98Å; P839-H850 PolarHBondContact O-CE1 3.35Å; P839-H850 VanDerWaalsContact O-CE1 3.24Å; P839-H850 PolarHBondContact O-NE2 2.82Å
840A67Low72.2Confident88 Ų8874.5 Ų74.573%0.72742%0.416SS*.  trans-53.5135.9-177.200000110.9W838 P842W838-A840 PolarHBondContact O-N 3.16Å; A840-P842 WeakPolarHBondContact O-CD 3.46Å; A840-P842 WeakPolarHBondContact O-CG 3.14Å
841R66.9Low72.3Confident188 Ų18873.7 Ų73.771%0.70941%0.413SS*.  trans-59.4111177.665.3-170.5-173.9152.12109.8P839P839-R841 PolarHBondContact O-N 2.98Å
842P64.5Low72.6Confident75 Ų7573.9 Ų73.949%0.48741%0.412SS..  trans-86.1-24.2-179-5.624.6000111.8Y820 A840Y820-P842 HydrophobicContact CD2-CG 4.08Å; A840-P842 WeakPolarHBondContact O-CD 3.46Å; A840-P842 WeakPolarHBondContact O-CG 3.14Å
843Y74.8Confident73Confident69 Ų6974.2 Ų74.227%0.27141%0.411SS..  trans-143.4121.2-173.2-51.7-71.2000112I816 F845 L846I816-Y843 HydrophobicContact CB-CE1 4.5Å; I816-Y843 HydrophobicContact CD1-CD1 4.33Å; I816-Y843 HydrophobicContact CD1-CE1 4.21Å; I816-Y843 HydrophobicContact CG1-CD1 4.48Å; I816-Y843 HydrophobicContact CG1-CE1 4.1Å; I816-Y843 HydrophobicContact CG2-CD1 3.41Å; I816-Y843 VanDerWaalsContact CG2-CD1 3.41Å; I816-Y843 HydrophobicContact CG2-CD2 3.3Å; I816-Y843 HydrophobicContact CG2-CE1 3.64Å; I816-Y843 HydrophobicContact CG2-CE2 3.53Å; I816-Y843 HydrophobicContact CG2-CG 3.24Å; Y843-F845 HydrophobicContact CG-CE1 4.44Å; Y843-F845 PolarHBondContact O-N 2.61Å; Y843-L846 PolarHBondContact O-N 2.94Å
844S71.9Confident73.5Confident99 Ų9978.8 Ų78.869%0.69243%0.425SS*.G310 helixtrans-70-27.7-17151.90000115.2L846 D847S844-L846 PolarHBondContact O-N 3.08Å; S844-D847 WeakPolarHBondContact O-CB 3.37Å; S844-D847 PolarHBondContact O-N 2.84Å
845F76.1Confident74Confident85 Ų8578 Ų7837%0.37341%0.412SS..G310 helixtrans-73-10.2179.871.8-90.3000113.7I813 I816 M817 Y843I813-F845 HydrophobicContact CD1-CD1 3.78Å; I813-F845 HydrophobicContact CD1-CD2 4.18Å; I813-F845 HydrophobicContact CD1-CE1 3.5Å; I813-F845 VanDerWaalsContact CD1-CE1 3.5Å; I813-F845 HydrophobicContact CD1-CE2 3.94Å; I813-F845 HydrophobicContact CD1-CG 4.1Å; I813-F845 HydrophobicContact CD1-CZ 3.59Å; I813-F845 HydrophobicContact CG2-CE2 3.8Å; I813-F845 HydrophobicContact CG2-CZ 4.05Å; I816-F845 HydrophobicContact CB-CE1 4.46Å; I816-F845 HydrophobicContact CB-CZ 4.19Å; I816-F845 HydrophobicContact CG2-CE1 3.66Å; I816-F845 HydrophobicContact CG2-CZ 3.58Å; M817-F845 HydrophobicContact CG-CE2 3.89Å; M817-F845 HydrophobicContact CG-CZ 4.18Å; M817-F845 HydrophobicContact SD-CE2 4.4Å; Y843-F845 HydrophobicContact CG-CE1 4.44Å; Y843-F845 PolarHBondContact O-N 2.61Å
846L71.4Confident74.6Confident7 Ų780.7 Ų80.74%0.03743%0.426CS..G310 helixtrans-95.512.4173.9-68.8173.6000112.8M817 Y820 Y843 S844 G848 V849 H850M817-L846 HydrophobicContact CE-CD2 4.03Å; M817-L846 HydrophobicContact CG-CD1 4.23Å; M817-L846 HydrophobicContact CG-CD2 4.06Å; Y820-L846 HydrophobicContact CD1-CD1 3.66Å; Y820-L846 HydrophobicContact CD2-CD1 4.41Å; Y820-L846 HydrophobicContact CE1-CD1 4.27Å; Y820-L846 HydrophobicContact CG-CD1 3.75Å; Y843-L846 PolarHBondContact O-N 2.94Å; S844-L846 PolarHBondContact O-N 3.08Å; L846-G848 PolarHBondContact O-N 3.16Å; L846-V849 HydrophobicContact CD2-CB 4.47Å; L846-V849 HydrophobicContact CD2-CG2 4.44Å; L846-V849 CarbonylContact O-C 3.58Å; L846-V849 WeakPolarHBondContact O-CA 2.98Å; L846-V849 WeakPolarHBondContact O-CB 3.36Å; L846-V849 PolarHBondContact O-N 2.78Å; L846-H850 WeakPolarHBondContact O-CB 3.25Å; L846-H850 PolarHBondContact O-N 2.76Å
847D72.3Confident75.4Confident95 Ų9573.8 Ų73.851%0.50840%0.396SS..Hα-helixtrans-55-46.8-172-165.640.4000113.1S844 V849 H850 A851S844-D847 WeakPolarHBondContact O-CB 3.37Å; S844-D847 PolarHBondContact O-N 2.84Å; D847-V849 VanDerWaalsContact C-N 3.3Å; D847-V849 PolarHBondContact O-N 2.77Å; D847-H850 PolarHBondContact O-N 3.25Å; D847-A851 VanDerWaalsContact O-CB 3.29Å; D847-A851 WeakPolarHBondContact O-CB 3.5Å; D847-A851 PolarHBondContact O-N 3.19Å
848G76.2Confident76Confident58 Ų5873.2 Ų73.260%0.59839%0.387SS*.Hα-helixtrans-59.8-39.8175.400000112.9L846 E852L846-G848 PolarHBondContact O-N 3.16Å; G848-E852 WeakPolarHBondContact O-CB 3.44Å; G848-E852 PolarHBondContact O-N 2.92Å; G848-E852 VanDerWaalsContact O-N 3.15Å
849V76.5Confident76.1Confident60 Ų6076 Ų7636%0.36440%0.404SS..Hα-helixtrans-73.2-39.3178.91760000111.3F821 L846 D847 E852 L853F821-V849 HydrophobicContact CE1-CG1 4.17Å; F821-V849 HydrophobicContact CZ-CG1 3.9Å; L846-V849 HydrophobicContact CD2-CB 4.47Å; L846-V849 HydrophobicContact CD2-CG2 4.44Å; L846-V849 CarbonylContact O-C 3.58Å; L846-V849 WeakPolarHBondContact O-CA 2.98Å; L846-V849 WeakPolarHBondContact O-CB 3.36Å; L846-V849 PolarHBondContact O-N 2.78Å; D847-V849 VanDerWaalsContact C-N 3.3Å; D847-V849 PolarHBondContact O-N 2.77Å; V849-E852 PolarHBondContact O-N 3.17Å; V849-L853 HydrophobicContact CG1-CD1 3.92Å; V849-L853 HydrophobicContact CG1-CG 4.48Å; V849-L853 VanDerWaalsContact O-CG 3.27Å; V849-L853 WeakPolarHBondContact O-CG 3.45Å; V849-L853 PolarHBondContact O-N 2.84Å
850H81.8Confident76.5Confident23 Ų2381.3 Ų81.311%0.10642%0.421CS..Hα-helixtrans-67.4-42.1178.5-172.973.2000111.7Y820 W838 P839 L846 D847 E852 R854Y820-H850 AromaticContact CE2-ND1 3.48Å; Y820-H850 WeakPolarHBondContact CE2-ND1 3.24Å; Y820-H850 AromaticContact CZ-ND1 3.5Å; Y820-H850 WeakPolarHBondContact OH-CA 3.41Å; Y820-H850 WeakPolarHBondContact OH-CB 3.29Å; Y820-H850 PolarHBondContact OH-ND1 3.49Å; W838-H850 AromaticContact CD1-CE1 3.28Å; W838-H850 AromaticContact CD1-ND1 3.98Å; W838-H850 AromaticContact CD1-NE2 3.33Å; W838-H850 VanDerWaalsContact CD1-NE2 3.33Å; W838-H850 AromaticContact NE1-CE1 3.28Å; W838-H850 PolarHBondContact NE1-CE1 3.05Å; W838-H850 VanDerWaalsContact NE1-CE1 3.28Å; W838-H850 AromaticContact NE1-ND1 3.55Å; W838-H850 AromaticContact NE1-NE2 3.71Å; P839-H850 PolarHBondContact O-CE1 3.35Å; P839-H850 VanDerWaalsContact O-CE1 3.24Å; P839-H850 PolarHBondContact O-NE2 2.82Å; L846-H850 WeakPolarHBondContact O-CB 3.25Å; L846-H850 PolarHBondContact O-N 2.76Å; D847-H850 PolarHBondContact O-N 3.25Å; H850-E852 VanDerWaalsContact C-N 3.33Å; H850-R854 WeakPolarHBondContact O-CB 3.21Å; H850-R854 PolarHBondContact O-N 3.29Å; H850-R854 VanDerWaalsContact O-N 3.13Å
851A75Confident77.2Confident50 Ų5077.5 Ų77.541%0.41339%0.388SS..Hα-helixtrans-61.7-41.6173.100000111.6D847 R854 R855D847-A851 VanDerWaalsContact O-CB 3.29Å; D847-A851 WeakPolarHBondContact O-CB 3.5Å; D847-A851 PolarHBondContact O-N 3.19Å; A851-R854 WeakPolarHBondContact O-CB 3.35Å; A851-R854 PolarHBondContact O-N 2.9Å; A851-R855 PolarHBondContact O-N 3.21Å
852E79.8Confident77.6Confident83 Ų8369.9 Ų69.939%0.38836%0.363SS..Hα-helixtrans-75.3-37.7-175.7-155.258.2-168.200112.9G848 V849 H850 R854 R855 I856G848-E852 WeakPolarHBondContact O-CB 3.44Å; G848-E852 PolarHBondContact O-N 2.92Å; G848-E852 VanDerWaalsContact O-N 3.15Å; V849-E852 PolarHBondContact O-N 3.17Å; H850-E852 VanDerWaalsContact C-N 3.33Å; E852-R854 VanDerWaalsContact C-N 3.34Å; E852-R854 PolarHBondContact O-N 2.6Å; E852-R855 WeakPolarHBondContact O-CB 3.33Å; E852-R855 PolarHBondContact O-N 2.81Å; E852-R855 IonicContact OE1-CZ 3.5Å; E852-R855 IonicContact OE1-NE 3.22Å; E852-R855 PolarHBondContact OE1-NE 3.44Å; E852-R855 IonicContact OE1-NH2 2.81Å; E852-R855 PolarHBondContact OE1-NH2 3.5Å; E852-R855 IonicContact OE2-NE 2.72Å; E852-R855 PolarHBondContact OE2-NE 2.84Å; E852-I856 HydrophobicContact CG-CD1 4.48Å; E852-I856 VanDerWaalsContact O-CG1 3.28Å; E852-I856 WeakPolarHBondContact O-CG1 3.33Å; E852-I856 PolarHBondContact O-N 3.18Å
853L81.2Confident78.4Confident51 Ų5173.2 Ų73.227%0.26737%0.37SS..Hα-helixtrans-64.1-39172.1-70166.2000112.2Y820 F821 L824 W838 V849 R855 I856 F857Y820-L853 HydrophobicContact CE1-CD1 4.19Å; F821-L853 HydrophobicContact CD1-CD1 4.26Å; F821-L853 HydrophobicContact CE1-CD1 3.73Å; L824-L853 HydrophobicContact CD2-CB 4.43Å; L824-L853 HydrophobicContact CD2-CD1 3.88Å; W838-L853 HydrophobicContact CZ2-CB 4.16Å; V849-L853 HydrophobicContact CG1-CD1 3.92Å; V849-L853 HydrophobicContact CG1-CG 4.48Å; V849-L853 VanDerWaalsContact O-CG 3.27Å; V849-L853 WeakPolarHBondContact O-CG 3.45Å; V849-L853 PolarHBondContact O-N 2.84Å; L853-R855 VanDerWaalsContact C-N 3.33Å; L853-R855 PolarHBondContact O-N 3.41Å; L853-I856 PolarHBondContact O-N 3.02Å; L853-F857 WeakPolarHBondContact O-CB 3.35Å; L853-F857 PolarHBondContact O-N 3.43Å
854R79.9Confident78.6Confident119 Ų11974.8 Ų74.845%0.44938%0.378SS..Hα-helixtrans-59.5-45.2173-176.8-177.2-177.9-166.95110.9K836 W838 H850 A851 E852 H858K836-R854 PolarHBondContact O-NH2 3.32Å; W838-R854 HydrophobicContact CB-CG 4.21Å; W838-R854 HydrophobicContact CD2-CB 3.89Å; W838-R854 HydrophobicContact CD2-CG 3.85Å; W838-R854 HydrophobicContact CE3-CB 4.49Å; W838-R854 HydrophobicContact CE3-CG 4.26Å; W838-R854 HydrophobicContact CG-CB 4.08Å; W838-R854 HydrophobicContact CG-CG 3.82Å; W838-R854 HydrophobicContact CZ2-CB 4.24Å; H850-R854 WeakPolarHBondContact O-CB 3.21Å; H850-R854 PolarHBondContact O-N 3.29Å; H850-R854 VanDerWaalsContact O-N 3.13Å; A851-R854 WeakPolarHBondContact O-CB 3.35Å; A851-R854 PolarHBondContact O-N 2.9Å; E852-R854 VanDerWaalsContact C-N 3.34Å; E852-R854 PolarHBondContact O-N 2.6Å; R854-H858 VanDerWaalsContact O-CB 3.31Å; R854-H858 WeakPolarHBondContact O-CB 3.45Å; R854-H858 PolarHBondContact O-N 3.31Å
855R81.1Confident78.8Confident130 Ų13074.4 Ų74.449%0.49136%0.362SS..Hα-helixtrans-61.3-47.1177.7-166.5-177.174.483.81111.5A851 E852 L853 H858 L859A851-R855 PolarHBondContact O-N 3.21Å; E852-R855 WeakPolarHBondContact O-CB 3.33Å; E852-R855 PolarHBondContact O-N 2.81Å; E852-R855 IonicContact OE1-CZ 3.5Å; E852-R855 IonicContact OE1-NE 3.22Å; E852-R855 PolarHBondContact OE1-NE 3.44Å; E852-R855 IonicContact OE1-NH2 2.81Å; E852-R855 PolarHBondContact OE1-NH2 3.5Å; E852-R855 IonicContact OE2-NE 2.72Å; E852-R855 PolarHBondContact OE2-NE 2.84Å; L853-R855 VanDerWaalsContact C-N 3.33Å; L853-R855 PolarHBondContact O-N 3.41Å; R855-H858 PolarHBondContact O-N 2.89Å; R855-L859 HydrophobicContact CG-CD1 4.34Å; R855-L859 WeakPolarHBondContact O-CG 3.39Å; R855-L859 PolarHBondContact O-N 2.85Å
856I83.3Confident78.7Confident92 Ų9278.7 Ų78.747%0.47238%0.376SS..Hα-helixtrans-62.7-48.4-179.7-68.5166.1000111.2E852 L853 H858 L859 W860E852-I856 HydrophobicContact CG-CD1 4.48Å; E852-I856 VanDerWaalsContact O-CG1 3.28Å; E852-I856 WeakPolarHBondContact O-CG1 3.33Å; E852-I856 PolarHBondContact O-N 3.18Å; L853-I856 PolarHBondContact O-N 3.02Å; I856-H858 VanDerWaalsContact C-N 3.35Å; I856-H858 PolarHBondContact O-N 3.09Å; I856-L859 PolarHBondContact O-N 3.05Å; I856-W860 PolarHBondContact O-N 3Å; I856-W860 VanDerWaalsContact O-N 3.09Å
857F83.2Confident79Confident27 Ų2782.7 Ų82.712%0.11841%0.405CS..Hα-helixtrans-62.1-42.3179179.7-99.2000112.1L828 P829 W838 L853 L859 W860 R861L828-F857 HydrophobicContact CB-CE2 4.39Å; L828-F857 HydrophobicContact CB-CZ 4.33Å; L828-F857 HydrophobicContact CD1-CE2 4.16Å; L828-F857 HydrophobicContact CD2-CD2 4.12Å; L828-F857 HydrophobicContact CD2-CE2 4.05Å; L828-F857 HydrophobicContact CD2-CZ 4.44Å; L828-F857 HydrophobicContact CG-CE2 4.44Å; P829-F857 HydrophobicContact CG-CE1 4.41Å; W838-F857 HydrophobicContact CE3-CD1 4.17Å; W838-F857 HydrophobicContact CH2-CB 3.61Å; W838-F857 HydrophobicContact CH2-CD1 4.18Å; W838-F857 AromaticContact CH2-CG 3.9Å; W838-F857 HydrophobicContact CH2-CG 3.9Å; W838-F857 HydrophobicContact CZ3-CB 3.65Å; W838-F857 AromaticContact CZ3-CD1 3.36Å; W838-F857 HydrophobicContact CZ3-CD1 3.36Å; W838-F857 HydrophobicContact CZ3-CD2 4.41Å; W838-F857 HydrophobicContact CZ3-CE1 4.03Å; W838-F857 AromaticContact CZ3-CG 3.55Å; W838-F857 HydrophobicContact CZ3-CG 3.55Å; L853-F857 WeakPolarHBondContact O-CB 3.35Å; L853-F857 PolarHBondContact O-N 3.43Å; F857-L859 PolarHBondContact O-N 3.27Å; F857-W860 HydrophobicContact CD2-CE3 4.36Å; F857-W860 HydrophobicContact CE2-CE3 4.3Å; F857-W860 HydrophobicContact CE2-CZ3 4.17Å; F857-W860 PolarHBondContact O-N 3.42Å; F857-R861 WeakPolarHBondContact O-CG 3.25Å; F857-R861 PolarHBondContact O-N 3.45Å
858H79.9Confident79.1Confident77 Ų7784.5 Ų84.536%0.35641%0.41SS..Hα-helixtrans-60.6-46177.4-17776.9000112.2P833 R854 R855 I856 W860 R861 C862P833-H858 PolarHBondContact O-CE1 3.37Å; P833-H858 VanDerWaalsContact O-CE1 3.26Å; R854-H858 VanDerWaalsContact O-CB 3.31Å; R854-H858 WeakPolarHBondContact O-CB 3.45Å; R854-H858 PolarHBondContact O-N 3.31Å; R855-H858 PolarHBondContact O-N 2.89Å; I856-H858 VanDerWaalsContact C-N 3.35Å; I856-H858 PolarHBondContact O-N 3.09Å; H858-W860 VanDerWaalsContact C-N 3.34Å; H858-W860 PolarHBondContact O-N 3.3Å; H858-R861 PolarHBondContact CE1-NH2 3.31Å; H858-R861 PolarHBondContact ND1-NE 3.1Å; H858-R861 PolarHBondContact ND1-NH2 3.12Å; H858-R861 VanDerWaalsContact O-CG 3.28Å; H858-R861 WeakPolarHBondContact O-CG 3.12Å; H858-R861 PolarHBondContact O-N 3.24Å; H858-C862 WeakPolarHBondContact O-CB 3.41Å; H858-C862 PolarHBondContact O-N 3.42Å; H858-C862 PolarHBondContact O-SG 3.15Å
859L80.4Confident79.2Confident95 Ų9584.3 Ų84.350%0.49739%0.393SS..Hα-helixtrans-62.7-40.5177.9-71.3171.7000112.3R855 I856 F857 K863R855-L859 HydrophobicContact CG-CD1 4.34Å; R855-L859 WeakPolarHBondContact O-CG 3.39Å; R855-L859 PolarHBondContact O-N 2.85Å; I856-L859 PolarHBondContact O-N 3.05Å; F857-L859 PolarHBondContact O-N 3.27Å; L859-K863 PolarHBondContact O-N 3.18Å; L859-K863 VanDerWaalsContact O-N 3.16Å
860W83.4Confident79.3Confident136 Ų13685 Ų8552%0.51540%0.397SS..Hα-helixtrans-65.4-47.8178.4174.983000112.5M831 I856 F857 H858 C862 K863 K864M831-W860 HydrophobicContact CE-CH2 4.01Å; M831-W860 HydrophobicContact CE-CZ3 3.73Å; M831-W860 HydrophobicContact SD-CH2 4.45Å; M831-W860 HydrophobicContact SD-CZ3 3.99Å; I856-W860 PolarHBondContact O-N 3Å; I856-W860 VanDerWaalsContact O-N 3.09Å; F857-W860 HydrophobicContact CD2-CE3 4.36Å; F857-W860 HydrophobicContact CE2-CE3 4.3Å; F857-W860 HydrophobicContact CE2-CZ3 4.17Å; F857-W860 PolarHBondContact O-N 3.42Å; H858-W860 VanDerWaalsContact C-N 3.34Å; H858-W860 PolarHBondContact O-N 3.3Å; W860-C862 PolarHBondContact O-N 3.04Å; W860-K863 WeakPolarHBondContact O-CB 3.17Å; W860-K863 PolarHBondContact O-N 3.31Å; W860-K863 VanDerWaalsContact O-N 3.15Å; W860-K864 PolarHBondContact O-N 3Å; W860-K864 VanDerWaalsContact O-N 3.11Å
861R81Confident78.9Confident8 Ų890.3 Ų90.33%0.0342%0.422CS..Hα-helixtrans-66.3-35.9178.771.8179.1-170.2-176.33.5112.5S830 M831 S832 P833 D835 F857 H858 K863 K864 Y865S830-R861 PolarHBondContact O-NH1 3.46Å; M831-R861 HydrophobicContact CE-CB 4.27Å; S832-R861 VanDerWaalsContact O-CZ 3.31Å; S832-R861 PolarHBondContact O-NH1 3.08Å; P833-R861 PolarHBondContact O-NH2 3.36Å; D835-R861 PolarHBondContact O-NH1 3.24Å; D835-R861 PolarHBondContact O-NH2 3.21Å; F857-R861 WeakPolarHBondContact O-CG 3.25Å; F857-R861 PolarHBondContact O-N 3.45Å; H858-R861 PolarHBondContact CE1-NH2 3.31Å; H858-R861 PolarHBondContact ND1-NE 3.1Å; H858-R861 PolarHBondContact ND1-NH2 3.12Å; H858-R861 VanDerWaalsContact O-CG 3.28Å; H858-R861 WeakPolarHBondContact O-CG 3.12Å; H858-R861 PolarHBondContact O-N 3.24Å; R861-K863 VanDerWaalsContact C-N 3.26Å; R861-K863 PolarHBondContact O-N 2.8Å; R861-K864 PolarHBondContact O-N 3.37Å; R861-Y865 PolarHBondContact O-N 2.97Å
862C76.1Confident78.8Confident29 Ų2995.6 Ų95.620%0.19644%0.438CS..Hα-helixtrans-62.3-33.3173.9-72.20000112H858 W860 R866H858-C862 WeakPolarHBondContact O-CB 3.41Å; H858-C862 PolarHBondContact O-N 3.42Å; H858-C862 PolarHBondContact O-SG 3.15Å; W860-C862 PolarHBondContact O-N 3.04Å; C862-R866 WeakPolarHBondContact O-CG 3.17Å; C862-R866 PolarHBondContact O-N 3.49Å; C862-R866 PolarHBondContact O-NE 3.12Å
863K80.7Confident78.5Confident144 Ų14497.4 Ų97.463%0.62645%0.445SS*.Hα-helixtrans-66.9-42.5170.7-174.9-175.6175.7-175.30111.8L859 W860 R861 S867L859-K863 PolarHBondContact O-N 3.18Å; L859-K863 VanDerWaalsContact O-N 3.16Å; W860-K863 WeakPolarHBondContact O-CB 3.17Å; W860-K863 PolarHBondContact O-N 3.31Å; W860-K863 VanDerWaalsContact O-N 3.15Å; R861-K863 VanDerWaalsContact C-N 3.26Å; R861-K863 PolarHBondContact O-N 2.8Å; K863-S867 PolarHBondContact O-N 3.42Å; K863-S867 PolarHBondContact O-OG 2.89Å
864K79.4Confident78.3Confident102 Ų10298.8 Ų98.844%0.44345%0.449SS..Hα-helixtrans-66.2-35.9179.2-155.4-168.7-175.6-179.60112.8M831 W860 R861 S867M831-K864 HydrophobicContact CE-CB 4.41Å; M831-K864 HydrophobicContact CE-CD 3.33Å; M831-K864 HydrophobicContact CE-CG 4.46Å; W860-K864 PolarHBondContact O-N 3Å; W860-K864 VanDerWaalsContact O-N 3.11Å; R861-K864 PolarHBondContact O-N 3.37Å; K864-S867 WeakPolarHBondContact CA-OG 3.22Å; K864-S867 PolarHBondContact O-OG 3.03Å
865Y76.6Confident78.3Confident92 Ų9295.2 Ų95.236%0.36145%0.445SS..Hα-helixtrans-69.4-45.8175.9-177.1-101.3000112.7P833 R861 S867 Q868 F869P833-Y865 VanDerWaalsContact CG-CB 3.44Å; P833-Y865 HydrophobicContact CG-CD1 3.54Å; P833-Y865 HydrophobicContact CG-CD2 3.73Å; P833-Y865 HydrophobicContact CG-CE1 4.16Å; P833-Y865 HydrophobicContact CG-CE2 4.33Å; P833-Y865 HydrophobicContact CG-CG 3.29Å; R861-Y865 PolarHBondContact O-N 2.97Å; Y865-S867 PolarHBondContact O-N 3.01Å; Y865-Q868 PolarHBondContact O-N 3.41Å; Y865-Q868 VanDerWaalsContact O-N 3.12Å; Y865-F869 AromaticContact CD1-CE1 3.77Å; Y865-F869 HydrophobicContact CD1-CE1 3.77Å; Y865-F869 HydrophobicContact CD1-CZ 4.17Å; Y865-F869 AromaticContact CE1-CE1 3.43Å; Y865-F869 HydrophobicContact CE1-CE1 3.43Å; Y865-F869 VanDerWaalsContact CE1-CE1 3.43Å; Y865-F869 AromaticContact CE1-CZ 3.55Å; Y865-F869 HydrophobicContact CE1-CZ 3.55Å; Y865-F869 AromaticContact CZ-CE1 3.91Å; Y865-F869 WeakPolarHBondContact O-CD1 3.36Å
866R73.8Confident78.2Confident174 Ų17491.7 Ų91.766%0.65744%0.438SS*.Hα-helixtrans-62.4-25.9178.3-72.9-174.9-61.3172.12.6113.9C862 Q868C862-R866 WeakPolarHBondContact O-CG 3.17Å; C862-R866 PolarHBondContact O-N 3.49Å; C862-R866 PolarHBondContact O-NE 3.12Å; R866-Q868 PolarHBondContact O-N 2.9Å
867S77.8Confident78.1Confident92 Ų9292.5 Ų92.564%0.64344%0.435SS*.THydrogen-bonded Turntrans-76.2-6.4178.731.80000113.7K863 K864 Y865K863-S867 PolarHBondContact O-N 3.42Å; K863-S867 PolarHBondContact O-OG 2.89Å; K864-S867 WeakPolarHBondContact CA-OG 3.22Å; K864-S867 PolarHBondContact O-OG 3.03Å; Y865-S867 PolarHBondContact O-N 3.01Å
868Q73.6Confident78.1Confident133 Ų13396.2 Ų96.262%0.62145%0.453SS*.THydrogen-bonded Turntrans-966.7178.8-63.8177.4-1800114Y865 R866Y865-Q868 PolarHBondContact O-N 3.41Å; Y865-Q868 VanDerWaalsContact O-N 3.12Å; R866-Q868 PolarHBondContact O-N 2.9Å
869F78.1Confident78.3Confident53 Ų5394.2 Ų94.223%0.23244%0.444CS..  trans-88.7122.2-173.9-80.540.4000111.5Y865 K874 Y877Y865-F869 AromaticContact CD1-CE1 3.77Å; Y865-F869 HydrophobicContact CD1-CE1 3.77Å; Y865-F869 HydrophobicContact CD1-CZ 4.17Å; Y865-F869 AromaticContact CE1-CE1 3.43Å; Y865-F869 HydrophobicContact CE1-CE1 3.43Å; Y865-F869 VanDerWaalsContact CE1-CE1 3.43Å; Y865-F869 AromaticContact CE1-CZ 3.55Å; Y865-F869 HydrophobicContact CE1-CZ 3.55Å; Y865-F869 AromaticContact CZ-CE1 3.91Å; Y865-F869 WeakPolarHBondContact O-CD1 3.36Å; F869-K874 HydrophobicContact CB-CG 4.06Å; F869-K874 HydrophobicContact CD2-CG 4.36Å; F869-Y877 AromaticContact CD2-CD2 3.82Å; F869-Y877 HydrophobicContact CD2-CD2 3.82Å; F869-Y877 HydrophobicContact CD2-CE2 4.15Å; F869-Y877 AromaticContact CE2-CD2 3.2Å; F869-Y877 HydrophobicContact CE2-CD2 3.2Å; F869-Y877 AromaticContact CE2-CE2 3.37Å; F869-Y877 HydrophobicContact CE2-CE2 3.37Å; F869-Y877 AromaticContact CE2-CG 3.93Å; F869-Y877 HydrophobicContact CE2-CG 3.93Å; F869-Y877 AromaticContact CZ-CD2 3.94Å; F869-Y877 HydrophobicContact CZ-CD2 3.94Å; F869-Y877 AromaticContact CZ-CE2 3.61Å; F869-Y877 HydrophobicContact CZ-CE2 3.61Å
870T79.2Confident78.4Confident75 Ų7591.6 Ų91.646%0.4643%0.429SS..  trans-75.1158.9167.8560000111E872 K873 K874T870-E872 VanDerWaalsContact C-N 3.28Å; T870-E872 PolarHBondContact O-N 2.95Å; T870-K873 PolarHBondContact O-N 3.18Å; T870-K873 VanDerWaalsContact O-N 3.12Å; T870-K873 PolarHBondContact OG1-N 3.49Å; T870-K874 WeakPolarHBondContact O-CG 3.49Å; T870-K874 PolarHBondContact O-N 3.45Å
871E74Confident78.6Confident135 Ų13590 Ų9063%0.63143%0.43SS*.Hα-helixtrans-57.2-39.4178.7-71-58.8137.300112.5K873 K874 A875E871-K873 PolarHBondContact O-N 3.03Å; E871-K874 WeakPolarHBondContact O-CB 3.28Å; E871-K874 PolarHBondContact O-N 2.77Å; E871-K874 IonicContact OE1-NZ 3.59Å; E871-K874 PolarHBondContact OE1-NZ 2.94Å; E871-A875 PolarHBondContact O-N 3.38Å
872E72.9Confident78.7Confident161 Ų16192.4 Ų92.475%0.75244%0.441SS*.Hα-helixtrans-61.9-43.8174.4-65.1173.517500112.6T870 K874 A875 V876T870-E872 VanDerWaalsContact C-N 3.28Å; T870-E872 PolarHBondContact O-N 2.95Å; E872-K874 VanDerWaalsContact C-N 3.32Å; E872-K874 PolarHBondContact O-N 2.51Å; E872-A875 PolarHBondContact O-N 2.6Å; E872-V876 WeakPolarHBondContact O-CG2 3.32Å; E872-V876 PolarHBondContact O-N 3.35Å
873K72.5Confident79.2Confident121 Ų12191.1 Ų91.153%0.52643%0.433SS..Hα-helixtrans-65.3-37.5176.2-79-176.9178.8176.80111.3T870 E871 V876 Y877T870-K873 PolarHBondContact O-N 3.18Å; T870-K873 VanDerWaalsContact O-N 3.12Å; T870-K873 PolarHBondContact OG1-N 3.49Å; E871-K873 PolarHBondContact O-N 3.03Å; K873-V876 PolarHBondContact O-N 3.23Å; K873-Y877 HydrophobicContact CB-CD2 4.49Å; K873-Y877 WeakPolarHBondContact O-CD2 3.25Å; K873-Y877 PolarHBondContact O-N 3.41Å
874K78.4Confident79.5Confident79 Ų7985.7 Ų85.734%0.34341%0.413SS..Hα-helixtrans-60.8-47175.9-69176.8-168.21680111.2F869 T870 E871 E872 V876 Y877 E878F869-K874 HydrophobicContact CB-CG 4.06Å; F869-K874 HydrophobicContact CD2-CG 4.36Å; T870-K874 WeakPolarHBondContact O-CG 3.49Å; T870-K874 PolarHBondContact O-N 3.45Å; E871-K874 WeakPolarHBondContact O-CB 3.28Å; E871-K874 PolarHBondContact O-N 2.77Å; E871-K874 IonicContact OE1-NZ 3.59Å; E871-K874 PolarHBondContact OE1-NZ 2.94Å; E872-K874 VanDerWaalsContact C-N 3.32Å; E872-K874 PolarHBondContact O-N 2.51Å; K874-V876 VanDerWaalsContact C-N 3.34Å; K874-V876 PolarHBondContact O-N 3.22Å; K874-Y877 PolarHBondContact O-N 2.92Å; K874-Y877 VanDerWaalsContact O-N 3.12Å; K874-E878 WeakPolarHBondContact O-CG 3.32Å; K874-E878 PolarHBondContact O-N 2.93Å
875A78.8Confident79.8Confident45 Ų4587.1 Ų87.137%0.37242%0.421SS..Hα-helixtrans-58.3-43.8177.800000112.3E871 E872 Y877 E878 E879E871-A875 PolarHBondContact O-N 3.38Å; E872-A875 PolarHBondContact O-N 2.6Å; A875-Y877 PolarHBondContact O-N 3.36Å; A875-E878 PolarHBondContact O-N 3.4Å; A875-E879 PolarHBondContact O-N 3.32Å; A875-E879 VanDerWaalsContact O-N 3.09Å
876V78.4Confident80.2Confident55 Ų5583.9 Ų83.933%0.33341%0.41SS..Hα-helixtrans-64.9-38.6175.9175.10000112E872 K873 K874 E879 K880 F902E872-V876 WeakPolarHBondContact O-CG2 3.32Å; E872-V876 PolarHBondContact O-N 3.35Å; K873-V876 PolarHBondContact O-N 3.23Å; K874-V876 VanDerWaalsContact C-N 3.34Å; K874-V876 PolarHBondContact O-N 3.22Å; V876-E879 PolarHBondContact O-N 3.07Å; V876-K880 PolarHBondContact O-N 2.9Å; V876-F902 HydrophobicContact CG1-CB 4.45Å
877Y81.8Confident80.9Confident109 Ų10975.6 Ų75.643%0.42738%0.379SS..Hα-helixtrans-71.5-30.1177.1-82.6-66.2000113.1F869 K873 K874 A875 K880 L881F869-Y877 AromaticContact CD2-CD2 3.82Å; F869-Y877 HydrophobicContact CD2-CD2 3.82Å; F869-Y877 HydrophobicContact CD2-CE2 4.15Å; F869-Y877 AromaticContact CE2-CD2 3.2Å; F869-Y877 HydrophobicContact CE2-CD2 3.2Å; F869-Y877 AromaticContact CE2-CE2 3.37Å; F869-Y877 HydrophobicContact CE2-CE2 3.37Å; F869-Y877 AromaticContact CE2-CG 3.93Å; F869-Y877 HydrophobicContact CE2-CG 3.93Å; F869-Y877 AromaticContact CZ-CD2 3.94Å; F869-Y877 HydrophobicContact CZ-CD2 3.94Å; F869-Y877 AromaticContact CZ-CE2 3.61Å; F869-Y877 HydrophobicContact CZ-CE2 3.61Å; K873-Y877 HydrophobicContact CB-CD2 4.49Å; K873-Y877 WeakPolarHBondContact O-CD2 3.25Å; K873-Y877 PolarHBondContact O-N 3.41Å; K874-Y877 PolarHBondContact O-N 2.92Å; K874-Y877 VanDerWaalsContact O-N 3.12Å; A875-Y877 PolarHBondContact O-N 3.36Å; Y877-K880 PolarHBondContact O-N 3.38Å; Y877-L881 WeakPolarHBondContact O-CB 3.06Å; Y877-L881 PolarHBondContact O-N 3.3Å
878E83Confident81.3Confident105 Ų10576.5 Ų76.549%0.49137%0.371SS..Hα-helixtrans-65.6-43.9170.5-73.5173-179.100111.3K874 A875 K880 L881 E882 R1018K874-E878 WeakPolarHBondContact O-CG 3.32Å; K874-E878 PolarHBondContact O-N 2.93Å; A875-E878 PolarHBondContact O-N 3.4Å; E878-K880 VanDerWaalsContact C-N 3.31Å; E878-K880 PolarHBondContact O-N 3.12Å; E878-L881 WeakPolarHBondContact O-CB 3.41Å; E878-L881 PolarHBondContact O-N 3.48Å; E878-E882 PolarHBondContact O-N 2.93Å; E878-E882 VanDerWaalsContact O-N 3.1Å; E878-R1018 IonicContact OE2-NH2 3.42Å
879E83.9Confident81.8Confident36 Ų3677.4 Ų77.417%0.16838%0.38CS..Hα-helixtrans-59.4-42.8172.7-69.4-174.5164.700111.3A875 V876 L881 E882 A883 F902 T1014 K1015A875-E879 PolarHBondContact O-N 3.32Å; A875-E879 VanDerWaalsContact O-N 3.09Å; V876-E879 PolarHBondContact O-N 3.07Å; E879-L881 VanDerWaalsContact C-N 3.31Å; E879-L881 PolarHBondContact O-N 3.34Å; E879-E882 PolarHBondContact O-N 3.4Å; E879-A883 PolarHBondContact O-N 3.18Å; E879-F902 HydrophobicContact CB-CD2 4.05Å; E879-F902 HydrophobicContact CB-CE2 4.3Å; E879-T1014 WeakPolarHBondContact O-CG2 3.46Å; E879-K1015 IonicContact OE1-NZ 3.91Å; E879-K1015 PolarHBondContact OE1-NZ 2.85Å; E879-K1015 IonicContact OE2-NZ 3.45Å; E879-K1015 PolarHBondContact OE2-NZ 3.36Å
880K83.6Confident82.1Confident40 Ų4080.4 Ų80.417%0.17439%0.393CS..Hα-helixtrans-68.7-27.5176.5-75.2-167.8168.2-162.10113.8V876 Y877 E878 A883 S884 V898 Q900 F902V876-K880 PolarHBondContact O-N 2.9Å; Y877-K880 PolarHBondContact O-N 3.38Å; E878-K880 VanDerWaalsContact C-N 3.31Å; E878-K880 PolarHBondContact O-N 3.12Å; K880-A883 PolarHBondContact O-N 3.39Å; K880-S884 PolarHBondContact O-N 2.83Å; K880-V898 PolarHBondContact NZ-O 3.26Å; K880-Q900 WeakPolarHBondContact CE-O 3.45Å; K880-Q900 PolarHBondContact NZ-O 2.8Å; K880-F902 HydrophobicContact CG-CD1 4.47Å; K880-F902 HydrophobicContact CG-CD2 4.08Å; K880-F902 HydrophobicContact CG-CE1 4.38Å; K880-F902 HydrophobicContact CG-CE2 3.99Å; K880-F902 HydrophobicContact CG-CG 4.33Å; K880-F902 HydrophobicContact CG-CZ 4.14Å
881L86.3Confident82.5Confident102 Ų10277 Ų7753%0.53437%0.372SS..Hα-helixtrans-67.4-47173.9-179.164.5000110.1Y877 E878 E879 A883 S884 E885Y877-L881 WeakPolarHBondContact O-CB 3.06Å; Y877-L881 PolarHBondContact O-N 3.3Å; E878-L881 WeakPolarHBondContact O-CB 3.41Å; E878-L881 PolarHBondContact O-N 3.48Å; E879-L881 VanDerWaalsContact C-N 3.31Å; E879-L881 PolarHBondContact O-N 3.34Å; L881-A883 VanDerWaalsContact C-N 3.3Å; L881-A883 PolarHBondContact O-N 2.87Å; L881-S884 WeakPolarHBondContact O-CA 3.34Å; L881-S884 VanDerWaalsContact O-CB 3.23Å; L881-S884 WeakPolarHBondContact O-CB 3.34Å; L881-S884 PolarHBondContact O-N 3.44Å; L881-E885 PolarHBondContact O-N 3.43Å
882E84.8Confident83Confident58 Ų5872.8 Ų72.827%0.27136%0.36SS..Hα-helixtrans-59.3-42173.6-71.6170.7169.900111.1E878 E879 S884 E885 L886 T1014 R1018E878-E882 PolarHBondContact O-N 2.93Å; E878-E882 VanDerWaalsContact O-N 3.1Å; E879-E882 PolarHBondContact O-N 3.4Å; E882-S884 PolarHBondContact O-N 3.3Å; E882-E885 PolarHBondContact O-N 2.94Å; E882-E885 VanDerWaalsContact O-N 3.13Å; E882-L886 VanDerWaalsContact O-CG 3.31Å; E882-L886 WeakPolarHBondContact O-CG 3.41Å; E882-L886 PolarHBondContact O-N 3.17Å; E882-T1014 HydrophobicContact CB-CG2 4.17Å; E882-R1018 VanDerWaalsContact CD-NH1 3.33Å; E882-R1018 IonicContact OE1-CZ 3.36Å; E882-R1018 IonicContact OE1-NH1 3.95Å; E882-R1018 PolarHBondContact OE1-NH1 3.45Å; E882-R1018 VanDerWaalsContact OE2-CD 3.24Å; E882-R1018 WeakPolarHBondContact OE2-CD 3.22Å; E882-R1018 WeakPolarHBondContact OE2-CG 3.49Å; E882-R1018 IonicContact OE2-CZ 2.85Å; E882-R1018 IonicContact OE2-NE 3.61Å; E882-R1018 IonicContact OE2-NH1 2.67Å; E882-R1018 PolarHBondContact OE2-NH1 3.29Å
883A85.6Confident83.6Confident2 Ų266.6 Ų66.62%0.01733%0.332CS..Hα-helixtrans-57.8-37.2172.600000112.5E879 K880 L881 F887 Y894 F902 I1010 T1014E879-A883 PolarHBondContact O-N 3.18Å; K880-A883 PolarHBondContact O-N 3.39Å; L881-A883 VanDerWaalsContact C-N 3.3Å; L881-A883 PolarHBondContact O-N 2.87Å; A883-F887 WeakPolarHBondContact O-CD2 3.49Å; A883-F887 PolarHBondContact O-N 3.34Å; A883-Y894 HydrophobicContact CB-CE2 4.13Å; A883-Y894 WeakPolarHBondContact O-CE2 3.47Å; A883-F902 HydrophobicContact CB-CE2 4.32Å; A883-F902 HydrophobicContact CB-CZ 4.02Å; A883-I1010 HydrophobicContact CB-CG2 4.08Å; A883-T1014 WeakPolarHBondContact CA-OG1 3.45Å; A883-T1014 HydrophobicContact CB-CG2 4.03Å; A883-T1014 VanDerWaalsContact CB-OG1 3.27Å; A883-T1014 WeakPolarHBondContact CB-OG1 3.48Å
884S86.5Confident84.3Confident30 Ų3062 Ų6221%0.2131%0.312CS..Hα-helixtrans-66.3-42174.5-173.10000112.5K880 L881 E882 L886 K888 Y894K880-S884 PolarHBondContact O-N 2.83Å; L881-S884 WeakPolarHBondContact O-CA 3.34Å; L881-S884 VanDerWaalsContact O-CB 3.23Å; L881-S884 WeakPolarHBondContact O-CB 3.34Å; L881-S884 PolarHBondContact O-N 3.44Å; E882-S884 PolarHBondContact O-N 3.3Å; S884-L886 VanDerWaalsContact C-N 3.25Å; S884-L886 PolarHBondContact O-N 2.97Å; S884-K888 WeakPolarHBondContact O-CB 3.24Å; S884-K888 PolarHBondContact O-N 3.13Å; S884-K888 VanDerWaalsContact O-N 3.08Å; S884-K888 WeakPolarHBondContact OG-CD 3.49Å; S884-Y894 VanDerWaalsContact CA-CZ 3.5Å; S884-Y894 WeakPolarHBondContact CA-OH 3.19Å; S884-Y894 WeakPolarHBondContact CB-OH 3.49Å; S884-Y894 PolarHBondContact N-OH 3.32Å
885E86.1Confident84.6Confident132 Ų13262.6 Ų62.662%0.61732%0.324SS*.Hα-helixtrans-66.4-33179.9-67.6175.917100111.7L881 E882L881-E885 PolarHBondContact O-N 3.43Å; E882-E885 PolarHBondContact O-N 2.94Å; E882-E885 VanDerWaalsContact O-N 3.13Å
886L84.8Confident84.7Confident25 Ų2563.8 Ų63.813%0.13133%0.329CS..Hα-helixtrans-77.7-45.2179.4-67.7176.2000113.5E882 S884 K890 H1017 I1031E882-L886 VanDerWaalsContact O-CG 3.31Å; E882-L886 WeakPolarHBondContact O-CG 3.41Å; E882-L886 PolarHBondContact O-N 3.17Å; S884-L886 VanDerWaalsContact C-N 3.25Å; S884-L886 PolarHBondContact O-N 2.97Å; L886-K890 WeakPolarHBondContact O-CD 3.37Å; L886-H1017 HydrophobicContact CD1-CB 3.99Å; L886-I1031 HydrophobicContact CD1-CD1 3.67Å; L886-I1031 HydrophobicContact CD2-CD1 3.7Å; L886-I1031 HydrophobicContact CG-CD1 4.21Å
887F88.3Confident84.9Confident0 Ų061.6 Ų61.60%032%0.316CS..Hα-helixtrans-115.9-18.5-165.3-63-69.7000115.8A883 D889 K890 K891 Y894 T978 L1009 I1010 I1013 I1033A883-F887 WeakPolarHBondContact O-CD2 3.49Å; A883-F887 PolarHBondContact O-N 3.34Å; F887-D889 PolarHBondContact O-N 3.23Å; F887-K890 PolarHBondContact O-N 2.9Å; F887-K891 HydrophobicContact CB-CB 4.44Å; F887-K891 HydrophobicContact CD1-CB 4.09Å; F887-K891 HydrophobicContact CD1-CD 4.15Å; F887-K891 HydrophobicContact CE1-CD 4.45Å; F887-K891 PolarHBondContact O-N 3.49Å; F887-Y894 HydrophobicContact CB-CD2 3.52Å; F887-Y894 HydrophobicContact CB-CE2 4.26Å; F887-Y894 HydrophobicContact CB-CG 3.74Å; F887-Y894 HydrophobicContact CD2-CD2 4.5Å; F887-Y894 HydrophobicContact CG-CD2 4.39Å; F887-T978 HydrophobicContact CE1-CG2 4.16Å; F887-L1009 HydrophobicContact CE1-CD2 4.49Å; F887-I1010 HydrophobicContact CB-CD1 4.08Å; F887-I1010 HydrophobicContact CD1-CD1 3.88Å; F887-I1010 HydrophobicContact CD2-CD1 3.75Å; F887-I1010 HydrophobicContact CD2-CG2 3.92Å; F887-I1010 HydrophobicContact CE1-CD1 4.26Å; F887-I1010 HydrophobicContact CE2-CD1 4.13Å; F887-I1010 HydrophobicContact CE2-CG2 4.22Å; F887-I1010 HydrophobicContact CG-CD1 3.62Å; F887-I1010 HydrophobicContact CZ-CD1 4.37Å; F887-I1013 HydrophobicContact CE1-CD1 4.35Å; F887-I1013 HydrophobicContact CE2-CB 4.3Å; F887-I1013 HydrophobicContact CE2-CG2 4.37Å; F887-I1013 HydrophobicContact CZ-CB 3.69Å; F887-I1013 HydrophobicContact CZ-CD1 4.04Å; F887-I1013 HydrophobicContact CZ-CG1 4.44Å; F887-I1013 HydrophobicContact CZ-CG2 3.6Å; F887-I1033 HydrophobicContact CD1-CD1 4.03Å; F887-I1033 HydrophobicContact CE1-CD1 4.3Å
888K86.4Confident85Confident110 Ų11059.8 Ų59.848%0.47832%0.316SS..THydrogen-bonded Turntrans-61.9130.4-177.3-171.2-174.6169.9-1710110.1S884 K890 Y894S884-K888 WeakPolarHBondContact O-CB 3.24Å; S884-K888 PolarHBondContact O-N 3.13Å; S884-K888 VanDerWaalsContact O-N 3.08Å; S884-K888 WeakPolarHBondContact OG-CD 3.49Å; K888-K890 PolarHBondContact O-N 3.32Å; K888-Y894 HydrophobicContact CB-CD1 4Å; K888-Y894 HydrophobicContact CB-CE1 3.77Å; K888-Y894 HydrophobicContact CG-CD1 4.36Å; K888-Y894 HydrophobicContact CG-CE1 4.12Å
889D84.3Confident84.8Confident153 Ų15365.9 Ų65.982%0.81834%0.335SS*.THydrogen-bonded Turntrans61.25.8-177.5-47.8-41.4000114.7F887F887-D889 PolarHBondContact O-N 3.23Å
890K84.3Confident84.7Confident115 Ų11568.1 Ų68.150%0.535%0.345SS..THydrogen-bonded Turntrans-112.8-28177.4-62.2179.1-170.5164.10113.4L886 F887 K888 T980 I1033L886-K890 WeakPolarHBondContact O-CD 3.37Å; F887-K890 PolarHBondContact O-N 2.9Å; K888-K890 PolarHBondContact O-N 3.32Å; K890-T980 WeakPolarHBondContact O-CA 3.33Å; K890-T980 WeakPolarHBondContact O-CB 3.47Å; K890-I1033 HydrophobicContact CB-CD1 3.82Å; K890-I1033 HydrophobicContact CD-CD1 4.2Å; K890-I1033 WeakPolarHBondContact O-CG2 3.43Å
891K87.4Confident84.5Confident4 Ų470.1 Ų70.12%0.01736%0.362CS..  trans-130.9123.5176.9-171.9171.3-177.9780111.7F887 L893 Y894 T978 S979 T980 D983 L1009 I1010F887-K891 HydrophobicContact CB-CB 4.44Å; F887-K891 HydrophobicContact CD1-CB 4.09Å; F887-K891 HydrophobicContact CD1-CD 4.15Å; F887-K891 HydrophobicContact CE1-CD 4.45Å; F887-K891 PolarHBondContact O-N 3.49Å; K891-L893 HydrophobicContact CD-CB 4.42Å; K891-L893 HydrophobicContact CG-CB 4.2Å; K891-L893 PolarHBondContact O-N 3.27Å; K891-Y894 VanDerWaalsContact O-CB 3.29Å; K891-Y894 WeakPolarHBondContact O-CB 3.29Å; K891-Y894 PolarHBondContact O-N 3.48Å; K891-T978 HydrophobicContact CD-CG2 4.16Å; K891-T978 PolarHBondContact NZ-OG1 3.46Å; K891-S979 WeakPolarHBondContact CG-O 3.48Å; K891-S979 PolarHBondContact NZ-O 3.41Å; K891-S979 PolarHBondContact NZ-OG 2.81Å; K891-T980 WeakPolarHBondContact CA-O 3.12Å; K891-D983 WeakPolarHBondContact CE-O 3.22Å; K891-D983 PolarHBondContact NZ-O 3.46Å; K891-D983 IonicContact NZ-OD1 3.07Å; K891-L1009 HydrophobicContact CD-CD2 3.95Å; K891-I1010 HydrophobicContact CD-CD1 4.21Å
892A84.9Confident84.5Confident46 Ų4666.4 Ų66.438%0.3834%0.342SS..THydrogen-bonded Turntrans-65.8-20.9-176.500000113.8Y894 P895 T980 T982A892-Y894 VanDerWaalsContact C-N 3.31Å; A892-P895 VanDerWaalsContact O-CD 3.28Å; A892-P895 WeakPolarHBondContact O-CD 3.43Å; A892-T980 WeakPolarHBondContact CB-O 3.44Å; A892-T980 PolarHBondContact N-O 2.94Å; A892-T982 HydrophobicContact CB-CG2 3.62Å
893L86Confident84.3Confident31 Ų3170.6 Ų70.616%0.16236%0.359CS..THydrogen-bonded Turntrans-70.9-22.1173-176.863.5000113.4K891 S896 D983 L1009K891-L893 HydrophobicContact CD-CB 4.42Å; K891-L893 HydrophobicContact CG-CB 4.2Å; K891-L893 PolarHBondContact O-N 3.27Å; L893-S896 PolarHBondContact O-N 2.97Å; L893-S896 PolarHBondContact O-OG 3.46Å; L893-D983 WeakPolarHBondContact CD2-O 3.33Å; L893-L1009 HydrophobicContact CD2-CB 4.17Å; L893-L1009 HydrophobicContact CD2-CG 4.3Å
894Y86.9Confident84.2Confident26 Ų2670.7 Ų70.710%0.10236%0.36CS..Hα-helixtrans-59.9-44.9-171.9179.6-106.3000114.6A883 S884 F887 K888 K891 A892 S896 S897 V898 I1010A883-Y894 HydrophobicContact CB-CE2 4.13Å; A883-Y894 WeakPolarHBondContact O-CE2 3.47Å; S884-Y894 VanDerWaalsContact CA-CZ 3.5Å; S884-Y894 WeakPolarHBondContact CA-OH 3.19Å; S884-Y894 WeakPolarHBondContact CB-OH 3.49Å; S884-Y894 PolarHBondContact N-OH 3.32Å; F887-Y894 HydrophobicContact CB-CD2 3.52Å; F887-Y894 HydrophobicContact CB-CE2 4.26Å; F887-Y894 HydrophobicContact CB-CG 3.74Å; F887-Y894 HydrophobicContact CD2-CD2 4.5Å; F887-Y894 HydrophobicContact CG-CD2 4.39Å; K888-Y894 HydrophobicContact CB-CD1 4Å; K888-Y894 HydrophobicContact CB-CE1 3.77Å; K888-Y894 HydrophobicContact CG-CD1 4.36Å; K888-Y894 HydrophobicContact CG-CE1 4.12Å; K891-Y894 VanDerWaalsContact O-CB 3.29Å; K891-Y894 WeakPolarHBondContact O-CB 3.29Å; K891-Y894 PolarHBondContact O-N 3.48Å; A892-Y894 VanDerWaalsContact C-N 3.31Å; Y894-S896 VanDerWaalsContact C-N 3.27Å; Y894-S896 PolarHBondContact O-N 2.81Å; Y894-S897 PolarHBondContact O-N 2.98Å; Y894-S897 PolarHBondContact O-OG 3.01Å; Y894-V898 HydrophobicContact CD1-CG2 4.35Å; Y894-V898 HydrophobicContact CE1-CG2 3.84Å; Y894-V898 HydrophobicContact CE2-CG2 4.34Å; Y894-V898 PolarHBondContact O-N 2.82Å; Y894-I1010 HydrophobicContact CD2-CD1 4.23Å; Y894-I1010 HydrophobicContact CD2-CG2 3.96Å; Y894-I1010 HydrophobicContact CE2-CG2 4.19Å
895P84.1Confident84Confident91 Ų9171.4 Ų71.459%0.59136%0.361SS*.Hα-helixtrans-57-35.5-178.5-26.536.5000114.4A892A892-P895 VanDerWaalsContact O-CD 3.28Å; A892-P895 WeakPolarHBondContact O-CD 3.43Å
896S82.3Confident83.9Confident69 Ų6967.7 Ų67.748%0.48334%0.342SS..Hα-helixtrans-73.2-29.6177.4410000113.3L893 Y894L893-S896 PolarHBondContact O-N 2.97Å; L893-S896 PolarHBondContact O-OG 3.46Å; Y894-S896 VanDerWaalsContact C-N 3.27Å; Y894-S896 PolarHBondContact O-N 2.81Å
897S82.3Confident83.6Confident9 Ų968.1 Ų68.16%0.06335%0.345CS..Hα-helixtrans-77.4-22-179.474.70000113.3Y894 R899 Q900Y894-S897 PolarHBondContact O-N 2.98Å; Y894-S897 PolarHBondContact O-OG 3.01Å; S897-R899 PolarHBondContact O-N 3.38Å; S897-R899 VanDerWaalsContact O-N 3.13Å; S897-Q900 WeakPolarHBondContact O-CB 3.05Å; S897-Q900 PolarHBondContact O-N 2.85Å
898V83.2Confident83.2Confident71 Ų7173.3 Ų73.343%0.4337%0.369SS..THydrogen-bonded Turntrans-54.7-37.5-178.4174.70000112.5K880 Y894 Q900K880-V898 PolarHBondContact NZ-O 3.26Å; Y894-V898 HydrophobicContact CD1-CG2 4.35Å; Y894-V898 HydrophobicContact CE1-CG2 3.84Å; Y894-V898 HydrophobicContact CE2-CG2 4.34Å; Y894-V898 PolarHBondContact O-N 2.82Å; V898-Q900 VanDerWaalsContact C-N 3.35Å
899R79.7Confident82.5Confident233 Ų23368.1 Ų68.188%0.87935%0.346SS*.THydrogen-bonded Turntrans-75.9-20.1180-64.1-176.5-178-176.72113.3S897S897-R899 PolarHBondContact O-N 3.38Å; S897-R899 VanDerWaalsContact O-N 3.13Å
900Q81.1Confident81.7Confident84 Ų8465.2 Ų65.239%0.39334%0.338SS..SBendtrans-78.5132.4-179.3-61.7177.5-10.800110.2K880 S897 V898K880-Q900 WeakPolarHBondContact CE-O 3.45Å; K880-Q900 PolarHBondContact NZ-O 2.8Å; S897-Q900 WeakPolarHBondContact O-CB 3.05Å; S897-Q900 PolarHBondContact O-N 2.85Å; V898-Q900 VanDerWaalsContact C-N 3.35Å
901P79.9Confident81.1Confident81 Ų8167.3 Ų67.353%0.52635%0.347SS..PPolyproline II helixtrans-73.5136177.629.5-32.8000110.9K903 Y906P901-K903 PolarHBondContact O-N 3.09Å; P901-Y906 PolarHBondContact O-OH 3.45Å; P901-Y906 VanDerWaalsContact O-OH 3.05Å
902F86.5Confident80.4Confident24 Ų2470.1 Ų70.111%0.10536%0.362CS..PPolyproline II helixtrans-75.8118171.2-74.98.4000108.7V876 E879 K880 A883 I1010 E1011 T1014V876-F902 HydrophobicContact CG1-CB 4.45Å; E879-F902 HydrophobicContact CB-CD2 4.05Å; E879-F902 HydrophobicContact CB-CE2 4.3Å; K880-F902 HydrophobicContact CG-CD1 4.47Å; K880-F902 HydrophobicContact CG-CD2 4.08Å; K880-F902 HydrophobicContact CG-CE1 4.38Å; K880-F902 HydrophobicContact CG-CE2 3.99Å; K880-F902 HydrophobicContact CG-CG 4.33Å; K880-F902 HydrophobicContact CG-CZ 4.14Å; A883-F902 HydrophobicContact CB-CE2 4.32Å; A883-F902 HydrophobicContact CB-CZ 4.02Å; F902-I1010 HydrophobicContact CZ-CG2 4.32Å; F902-E1011 WeakPolarHBondContact CA-OE2 3.33Å; F902-E1011 HydrophobicContact CB-CG 4.2Å; F902-E1011 HydrophobicContact CD1-CB 3.93Å; F902-E1011 HydrophobicContact CD1-CG 3.95Å; F902-E1011 HydrophobicContact CD2-CB 4.45Å; F902-E1011 HydrophobicContact CD2-CG 3.9Å; F902-E1011 HydrophobicContact CE1-CB 3.83Å; F902-E1011 HydrophobicContact CE1-CG 4.26Å; F902-E1011 HydrophobicContact CE2-CB 4.35Å; F902-E1011 HydrophobicContact CE2-CG 4.21Å; F902-E1011 HydrophobicContact CG-CB 4.25Å; F902-E1011 HydrophobicContact CG-CG 3.76Å; F902-E1011 HydrophobicContact CZ-CB 4.05Å; F902-E1011 HydrophobicContact CZ-CG 4.38Å; F902-T1014 HydrophobicContact CE2-CG2 4.41Å
903K80.3Confident79.7Confident147 Ų14772.9 Ų72.964%0.63938%0.376SS*.  trans-108.5-23.9-176.4-64.7-174.8-179.5177.90113.4P901 D905 Y906 E1011P901-K903 PolarHBondContact O-N 3.09Å; K903-D905 PolarHBondContact O-N 2.66Å; K903-D905 VanDerWaalsContact O-N 3.09Å; K903-Y906 HydrophobicContact CB-CD1 4.22Å; K903-Y906 HydrophobicContact CB-CE1 3.8Å; K903-Y906 HydrophobicContact CB-CE2 4.12Å; K903-Y906 HydrophobicContact CD-CD1 3.98Å; K903-Y906 HydrophobicContact CD-CE1 3.69Å; K903-Y906 HydrophobicContact CG-CE1 3.9Å; K903-Y906 PolarHBondContact N-OH 3.16Å; K903-E1011 PolarHBondContact N-OE1 3.48Å; K903-E1011 VanDerWaalsContact N-OE1 3.15Å
904G82.6Confident79.1Confident4 Ų477.8 Ų77.84%0.04140%0.396CS..SBendtrans74.4-83.2-171.600000112.8Y906 L927 L928 A929 E1011G904-Y906 WeakPolarHBondContact O-CD2 3.32Å; G904-Y906 PolarHBondContact O-N 2.92Å; G904-L927 WeakPolarHBondContact CA-O 3.37Å; G904-L928 WeakPolarHBondContact O-CA 3.42Å; G904-L928 WeakPolarHBondContact O-CG 3.47Å; G904-A929 PolarHBondContact O-N 2.85Å; G904-E1011 WeakPolarHBondContact CA-OE1 3.24Å; G904-E1011 PolarHBondContact N-OE1 3.25Å
905D82.8Confident78.4Confident44 Ų4477.5 Ų77.524%0.23540%0.395CS..BIsolated β-bridgetrans-88.491.4-177.9-173.83.3000110.8K903 L907 E908 I909 A929K903-D905 PolarHBondContact O-N 2.66Å; K903-D905 VanDerWaalsContact O-N 3.09Å; D905-L907 VanDerWaalsContact C-N 3.27Å; D905-L907 PolarHBondContact OD1-N 3.48Å; D905-E908 WeakPolarHBondContact OD1-CA 3.45Å; D905-E908 PolarHBondContact OD1-N 3.15Å; D905-E908 WeakPolarHBondContact OD2-CA 3.32Å; D905-I909 PolarHBondContact OD1-N 2.87Å; D905-I909 PolarHBondContact OD2-N 3.46Å; D905-A929 WeakPolarHBondContact OD1-CB 3.26Å
906Y83.6Confident77.6Confident55 Ų5579.3 Ų79.322%0.21640%0.396CS..SBendtrans-79.3-11.6179-71.2-90.7000113.4P901 K903 G904 A929 H1008 E1011P901-Y906 PolarHBondContact O-OH 3.45Å; P901-Y906 VanDerWaalsContact O-OH 3.05Å; K903-Y906 HydrophobicContact CB-CD1 4.22Å; K903-Y906 HydrophobicContact CB-CE1 3.8Å; K903-Y906 HydrophobicContact CB-CE2 4.12Å; K903-Y906 HydrophobicContact CD-CD1 3.98Å; K903-Y906 HydrophobicContact CD-CE1 3.69Å; K903-Y906 HydrophobicContact CG-CE1 3.9Å; K903-Y906 PolarHBondContact N-OH 3.16Å; G904-Y906 WeakPolarHBondContact O-CD2 3.32Å; G904-Y906 PolarHBondContact O-N 2.92Å; Y906-A929 WeakPolarHBondContact CB-O 3.12Å; Y906-A929 PolarHBondContact N-O 3.47Å; Y906-H1008 AromaticContact CE1-CD2 3.96Å; Y906-H1008 AromaticContact CE1-NE2 3.74Å; Y906-H1008 AromaticContact CZ-CD2 3.82Å; Y906-E1011 VanDerWaalsContact CE2-OE2 3.25Å; Y906-E1011 WeakPolarHBondContact CE2-OE2 2.89Å; Y906-E1011 VanDerWaalsContact CZ-OE2 3.26Å; Y906-E1011 PolarHBondContact OH-OE2 3.29Å
907L79.7Confident77Confident34 Ų3485.3 Ų85.318%0.17841%0.413CS..SBendtrans-107.7-7.9-174.5-65.6176.9000113.3D905 I909 A929 V931 L946D905-L907 VanDerWaalsContact C-N 3.27Å; D905-L907 PolarHBondContact OD1-N 3.48Å; L907-I909 VanDerWaalsContact C-N 3.26Å; L907-I909 HydrophobicContact CB-CD1 4.15Å; L907-I909 HydrophobicContact CB-CG1 3.71Å; L907-I909 HydrophobicContact CD1-CD1 4.24Å; L907-I909 PolarHBondContact O-N 2.82Å; L907-A929 HydrophobicContact CB-CB 4.32Å; L907-A929 HydrophobicContact CD1-CB 4.33Å; L907-V931 HydrophobicContact CD1-CG2 4.26Å; L907-V931 HydrophobicContact CD2-CG2 3.96Å; L907-L946 HydrophobicContact CD1-CD2 3.62Å
908E79.6Confident76.5Confident108 Ų10885.1 Ų85.151%0.50541%0.412SS..  trans47.249.3-175.8-59.9-168.4-178.200111.8D905 S910 K911 N912D905-E908 WeakPolarHBondContact OD1-CA 3.45Å; D905-E908 PolarHBondContact OD1-N 3.15Å; D905-E908 WeakPolarHBondContact OD2-CA 3.32Å; E908-S910 PolarHBondContact O-N 3.3Å; E908-S910 VanDerWaalsContact O-N 3.09Å; E908-K911 HydrophobicContact CB-CB 4.39Å; E908-K911 PolarHBondContact O-N 3.49Å; E908-N912 WeakPolarHBondContact O-CB 3.39Å; E908-N912 PolarHBondContact O-N 3.41Å
909I71.2Confident75.6Confident1 Ų183.7 Ų83.71%0.00540%0.404CS..THydrogen-bonded Turntrans-60.1-30.5-167.3-72.8176.8000112.7D905 L907 K911 I926 A929 L948D905-I909 PolarHBondContact OD1-N 2.87Å; D905-I909 PolarHBondContact OD2-N 3.46Å; L907-I909 VanDerWaalsContact C-N 3.26Å; L907-I909 HydrophobicContact CB-CD1 4.15Å; L907-I909 HydrophobicContact CB-CG1 3.71Å; L907-I909 HydrophobicContact CD1-CD1 4.24Å; L907-I909 PolarHBondContact O-N 2.82Å; I909-K911 VanDerWaalsContact C-N 3.31Å; I909-K911 PolarHBondContact O-N 2.76Å; I909-I926 HydrophobicContact CB-CD1 4.16Å; I909-I926 HydrophobicContact CD1-CD1 4.47Å; I909-I926 HydrophobicContact CG2-CD1 3.86Å; I909-A929 HydrophobicContact CD1-CB 3.52Å; I909-A929 HydrophobicContact CG1-CB 4.26Å; I909-L948 HydrophobicContact CD1-CD1 4.45Å; I909-L948 HydrophobicContact CD1-CD2 3.12Å; I909-L948 HydrophobicContact CD1-CG 4.4Å
910S66.7Low74.9Confident93 Ų9376.9 Ų76.965%0.6539%0.393SS*.THydrogen-bonded Turntrans-70.1-23.6175.954.60000113.9E908E908-S910 PolarHBondContact O-N 3.3Å; E908-S910 VanDerWaalsContact O-N 3.09Å
911K72.4Confident74Confident159 Ų15976.3 Ų76.369%0.69140%0.403SS*.THydrogen-bonded Turntrans-105.5-22.7-178.6-63.3-179.4-178.1175.20113.2E908 I909 P913E908-K911 HydrophobicContact CB-CB 4.39Å; E908-K911 PolarHBondContact O-N 3.49Å; I909-K911 VanDerWaalsContact C-N 3.31Å; I909-K911 PolarHBondContact O-N 2.76Å; K911-P913 WeakPolarHBondContact O-CD 3.48Å
912N73.4Confident73.3Confident62 Ų6273.4 Ų73.433%0.33238%0.383SS..  trans-85.5114.7-173.3-165.2-29.4000111.9E908 K914 Y915E908-N912 WeakPolarHBondContact O-CB 3.39Å; E908-N912 PolarHBondContact O-N 3.41Å; N912-K914 PolarHBondContact O-N 2.96Å; N912-K914 PolarHBondContact OD1-N 3.49Å; N912-Y915 HydrophobicContact CB-CD2 4.3Å; N912-Y915 PolarHBondContact O-N 2.95Å; N912-Y915 VanDerWaalsContact O-N 3.12Å
913P70.3Confident72Confident104 Ų10480.2 Ų80.268%0.67542%0.421SS*.G310 helixtrans-58.2-28.2-175.2-23.532.8000113.9K911 Y915 Q916K911-P913 WeakPolarHBondContact O-CD 3.48Å; P913-Y915 PolarHBondContact O-N 3.39Å; P913-Q916 PolarHBondContact O-N 3.31Å
914K71.8Confident71.5Confident135 Ų13575.7 Ų75.759%0.58740%0.402SS*.G310 helixtrans-63.2-28-178.9-171.3177.9177.9-1750113.3N912N912-K914 PolarHBondContact O-N 2.96Å; N912-K914 PolarHBondContact OD1-N 3.49Å
915Y72.2Confident71.3Confident19 Ų1983.4 Ų83.48%0.07543%0.434CS..G310 helixtrans-113.510.1-173.3-57.4-59000113.2N912 P913 K917 L918 S919 L946N912-Y915 HydrophobicContact CB-CD2 4.3Å; N912-Y915 PolarHBondContact O-N 2.95Å; N912-Y915 VanDerWaalsContact O-N 3.12Å; P913-Y915 PolarHBondContact O-N 3.39Å; Y915-K917 VanDerWaalsContact C-N 3.31Å; Y915-K917 PolarHBondContact O-N 2.98Å; Y915-L918 WeakPolarHBondContact O-CA 3.14Å; Y915-L918 WeakPolarHBondContact O-CB 3.29Å; Y915-L918 PolarHBondContact O-N 3.03Å; Y915-S919 PolarHBondContact O-N 3.03Å; Y915-L946 HydrophobicContact CD1-CD1 3.83Å; Y915-L946 HydrophobicContact CE1-CD1 3.61Å; Y915-L946 HydrophobicContact CE1-CD2 4.42Å
916Q68.9Low71.2Confident129 Ų12982.8 Ų82.860%0.60343%0.431SS*.Hα-helixtrans-59.2-39-177.4-157.6171.515.900112.6P913 L918 S919 S920P913-Q916 PolarHBondContact O-N 3.31Å; Q916-L918 VanDerWaalsContact C-N 3.3Å; Q916-L918 PolarHBondContact O-N 3.13Å; Q916-S919 WeakPolarHBondContact O-CB 3.45Å; Q916-S919 PolarHBondContact O-N 2.94Å; Q916-S920 PolarHBondContact O-N 3.27Å; Q916-S920 PolarHBondContact O-OG 3.27Å; Q916-S920 VanDerWaalsContact O-OG 3.12Å
917K68.7Low71.2Confident195 Ų19582.5 Ų82.585%0.84843%0.432SS*.Hα-helixtrans-62.7-33173.8-69.5-173179-177.60113.5Y915 A921Y915-K917 VanDerWaalsContact C-N 3.31Å; Y915-K917 PolarHBondContact O-N 2.98Å; K917-A921 PolarHBondContact O-N 3.06Å
918L70.9Confident71.5Confident6 Ų680.9 Ų80.93%0.03142%0.424CS..Hα-helixtrans-78.8-35.5176.9-174.271.2000110.6Y915 Q916 A921 V922 L946 L948 A957 G962Y915-L918 WeakPolarHBondContact O-CA 3.14Å; Y915-L918 WeakPolarHBondContact O-CB 3.29Å; Y915-L918 PolarHBondContact O-N 3.03Å; Q916-L918 VanDerWaalsContact C-N 3.3Å; Q916-L918 PolarHBondContact O-N 3.13Å; L918-A921 PolarHBondContact O-N 3.11Å; L918-V922 WeakPolarHBondContact O-CG2 3.42Å; L918-V922 PolarHBondContact O-N 3.41Å; L918-L946 HydrophobicContact CD2-CD1 3.81Å; L918-L948 HydrophobicContact CD2-CD1 3.74Å; L918-L948 HydrophobicContact CG-CD1 4Å; L918-A957 HydrophobicContact CD1-CB 3.74Å; L918-A957 HydrophobicContact CD2-CB 3.91Å; L918-G962 WeakPolarHBondContact CD1-O 3.45Å
919S65Low71.9Confident40 Ų4075.7 Ų75.728%0.2840%0.4SS..Hα-helixtrans-62.7-40.2172.7-168.60000112Y915 Q916 A921 V922Y915-S919 PolarHBondContact O-N 3.03Å; Q916-S919 WeakPolarHBondContact O-CB 3.45Å; Q916-S919 PolarHBondContact O-N 2.94Å; S919-A921 VanDerWaalsContact C-N 3.29Å; S919-A921 PolarHBondContact O-N 3.23Å; S919-V922 PolarHBondContact O-N 3.08Å
920S64.3Low72.8Confident91 Ų9176.3 Ų76.364%0.63640%0.403SS*.Hα-helixtrans-70.9-22.6176.1-56.70000113.5Q916Q916-S920 PolarHBondContact O-N 3.27Å; Q916-S920 PolarHBondContact O-OG 3.27Å; Q916-S920 VanDerWaalsContact O-OG 3.12Å
921A63.3Low73.8Confident72 Ų7273.9 Ų73.960%0.59538%0.384SS*.Hα-helixtrans-85.9-14.3178.600000113.3K917 L918 S919K917-A921 PolarHBondContact O-N 3.06Å; L918-A921 PolarHBondContact O-N 3.11Å; S919-A921 VanDerWaalsContact C-N 3.29Å; S919-A921 PolarHBondContact O-N 3.23Å
922V65.9Low74.6Confident19 Ų1966.3 Ų66.312%0.11535%0.351CS..  trans-111.589.1179.3-1790000107.5L918 S919 E924 L948 T950L918-V922 WeakPolarHBondContact O-CG2 3.42Å; L918-V922 PolarHBondContact O-N 3.41Å; S919-V922 PolarHBondContact O-N 3.08Å; V922-E924 PolarHBondContact O-N 3.28Å; V922-L948 HydrophobicContact CG2-CD1 4.21Å; V922-T950 HydrophobicContact CG1-CG2 3.54Å
923D59.3Low75.3Confident167 Ų16766.4 Ų66.489%0.89335%0.352SS*.  trans-62.98.9-175.6-110.7-10000115.4
924E69.1Low76.2Confident53 Ų5365 Ų6525%0.24834%0.335CS..SBendtrans-127.5151.9-173.1-64.9-168.8159.200113V922 I926 T950 K952V922-E924 PolarHBondContact O-N 3.28Å; E924-I926 PolarHBondContact O-N 3.31Å; E924-I926 VanDerWaalsContact O-N 3.12Å; E924-T950 HydrophobicContact CB-CG2 4.22Å; E924-T950 WeakPolarHBondContact OE2-CB 3.47Å; E924-T950 PolarHBondContact OE2-OG1 3.48Å; E924-K952 WeakPolarHBondContact OE1-CD 3.14Å; E924-K952 WeakPolarHBondContact OE1-CE 3.45Å; E924-K952 WeakPolarHBondContact OE1-CG 3.27Å; E924-K952 IonicContact OE1-NZ 3.64Å; E924-K952 PolarHBondContact OE1-NZ 3.2Å; E924-K952 PolarHBondContact OE2-N 3.31Å
925K78.1Confident76.9Confident166 Ų16659.2 Ų59.272%0.72231%0.31SS*.  trans-57.4117174.8-174.2176.5-178176.10111L927K925-L927 PolarHBondContact O-N 3.04Å
926I81.3Confident77.2Confident31 Ų3161.5 Ų61.516%0.15932%0.324CS..  trans-69.5125.3174.5-59.2172.6000108.8I909 E924 L928 A929I909-I926 HydrophobicContact CB-CD1 4.16Å; I909-I926 HydrophobicContact CD1-CD1 4.47Å; I909-I926 HydrophobicContact CG2-CD1 3.86Å; E924-I926 PolarHBondContact O-N 3.31Å; E924-I926 VanDerWaalsContact O-N 3.12Å; I926-L928 WeakPolarHBondContact CG2-O 3.33Å; I926-A929 HydrophobicContact CG2-CB 3.95Å
927L82.5Confident77.3Confident48 Ų4863.2 Ų63.225%0.25133%0.325SS..SBendtrans-97.6-31.2179.6-61.5178.2000112.1G904 K925 L949 K951 I1019G904-L927 WeakPolarHBondContact CA-O 3.37Å; K925-L927 PolarHBondContact O-N 3.04Å; L927-L949 PolarHBondContact N-O 3.25Å; L927-K951 HydrophobicContact CD1-CG 3.8Å; L927-K951 HydrophobicContact CG-CG 4.47Å; L927-I1019 HydrophobicContact CD1-CD1 3.38Å; L927-I1019 HydrophobicContact CD1-CG1 3.88Å
928L86.9Confident77.2Confident0 Ų056.9 Ų56.90%031%0.309CS..EExtended strand (participates in β ladder)trans-147.1139.5171.1179.2148.4000110.3G904 I926 D930 F947 L948 L949 E1011 I1012 K1015G904-L928 WeakPolarHBondContact O-CA 3.42Å; G904-L928 WeakPolarHBondContact O-CG 3.47Å; I926-L928 WeakPolarHBondContact CG2-O 3.33Å; L928-D930 HydrophobicContact CD2-CB 4.18Å; L928-F947 HydrophobicContact CD2-CD1 3.72Å; L928-F947 HydrophobicContact CD2-CE1 4.04Å; L928-L948 WeakPolarHBondContact O-CA 3.39Å; L928-L949 HydrophobicContact CB-CB 4.07Å; L928-L949 HydrophobicContact CB-CD2 4.38Å; L928-L949 PolarHBondContact N-O 3.36Å; L928-L949 PolarHBondContact O-N 3.37Å; L928-E1011 HydrophobicContact CD1-CG 3.95Å; L928-I1012 HydrophobicContact CD1-CB 4.44Å; L928-I1012 HydrophobicContact CD1-CG1 3.73Å; L928-I1012 HydrophobicContact CD2-CD1 4.38Å; L928-I1012 HydrophobicContact CD2-CG1 3.74Å; L928-I1012 HydrophobicContact CG-CG1 4.41Å; L928-K1015 HydrophobicContact CB-CD 4.16Å; L928-K1015 HydrophobicContact CD1-CD 4.04Å
929A87.7Confident77.2Confident0 Ų060.3 Ų60.30%033%0.327CS..EExtended strand (participates in β ladder)trans-138.3123.2172.200000110.1G904 D905 Y906 L907 I909 I926 F947 L948G904-A929 PolarHBondContact O-N 2.85Å; D905-A929 WeakPolarHBondContact OD1-CB 3.26Å; Y906-A929 WeakPolarHBondContact CB-O 3.12Å; Y906-A929 PolarHBondContact N-O 3.47Å; L907-A929 HydrophobicContact CB-CB 4.32Å; L907-A929 HydrophobicContact CD1-CB 4.33Å; I909-A929 HydrophobicContact CD1-CB 3.52Å; I909-A929 HydrophobicContact CG1-CB 4.26Å; I926-A929 HydrophobicContact CG2-CB 3.95Å; A929-F947 WeakPolarHBondContact CA-O 3.35Å; A929-L948 HydrophobicContact CB-CD2 3.64Å
930D89.5Confident77.5Confident13 Ų1358.7 Ų58.77%0.0732%0.317CS..EExtended strand (participates in β ladder)trans-147.3162.8-178.7-168.121.9000111.6L928 F947 S1006 H1008L928-D930 HydrophobicContact CD2-CB 4.18Å; D930-F947 PolarHBondContact N-O 2.84Å; D930-F947 PolarHBondContact O-N 3.37Å; D930-S1006 PolarHBondContact OD2-OG 3Å; D930-H1008 VanDerWaalsContact CG-ND1 3.31Å; D930-H1008 IonicContact OD1-CE1 3.17Å; D930-H1008 IonicContact OD1-ND1 3.32Å; D930-H1008 PolarHBondContact OD1-ND1 3.36Å; D930-H1008 IonicContact OD2-CE1 2.7Å; D930-H1008 IonicContact OD2-CG 2.7Å; D930-H1008 IonicContact OD2-ND1 2.82Å; D930-H1008 PolarHBondContact OD2-ND1 3.36Å
931V87.9Confident78.2Confident42 Ų4261.5 Ų61.526%0.25532%0.317SS..EExtended strand (participates in β ladder)trans-91119.8169.8178.70000108.7L907 R945 L946 Q959L907-V931 HydrophobicContact CD1-CG2 4.26Å; L907-V931 HydrophobicContact CD2-CG2 3.96Å; V931-R945 CarbonylContact C-O 3.49Å; V931-R945 WeakPolarHBondContact CA-O 3.46Å; V931-L946 HydrophobicContact CG2-CD2 4.01Å; V931-Q959 HydrophobicContact CG1-CG 4.45Å; V931-Q959 HydrophobicContact CG2-CG 4.42Å
932V89.6Confident79Confident0 Ų060.1 Ų60.10%031%0.31CS..EExtended strand (participates in β ladder)trans-118.9150178.6-52.50000111S944 R945 F947 L956 L1004 I1012V932-S944 CarbonylContact O-C 3.48Å; V932-R945 HydrophobicContact CG2-CB 4.29Å; V932-R945 PolarHBondContact N-O 3.35Å; V932-R945 PolarHBondContact O-N 2.88Å; V932-R945 VanDerWaalsContact O-O 3.11Å; V932-F947 HydrophobicContact CB-CB 4.23Å; V932-F947 HydrophobicContact CG1-CB 3.47Å; V932-F947 VanDerWaalsContact CG1-CB 3.47Å; V932-F947 HydrophobicContact CG1-CD2 4.39Å; V932-F947 HydrophobicContact CG1-CG 4.02Å; V932-F947 HydrophobicContact CG2-CB 3.71Å; V932-F947 HydrophobicContact CG2-CD2 4.26Å; V932-F947 HydrophobicContact CG2-CG 4.41Å; V932-L956 HydrophobicContact CG2-CD2 4.28Å; V932-L1004 HydrophobicContact CG2-CD1 4.37Å; V932-L1004 HydrophobicContact CG2-CD2 4.18Å; V932-I1012 HydrophobicContact CG1-CD1 4.21Å
933N88.5Confident79.9Confident64 Ų6461.2 Ų61.234%0.34232%0.319SS..EExtended strand (participates in β ladder)trans-94.4112175.1-70.7-42000110.1S944 L1004 S1005N933-S944 WeakPolarHBondContact OD1-CA 3.34Å; N933-S944 PolarHBondContact OD1-OG 3.33Å; N933-L1004 CarbonylContact O-C 3.53Å; N933-L1004 WeakPolarHBondContact O-CA 3.33Å; N933-S1005 PolarHBondContact N-O 2.72Å; N933-S1005 PolarHBondContact O-N 2.77Å
934K88.9Confident81.3Confident75 Ų7555.6 Ų55.633%0.32629%0.293SS..EExtended strand (participates in β ladder)trans-79.7122.8171.4-178.1-179.5178.5176.20110G942 S943 R945 L1004K934-G942 CarbonylContact O-C 3.41Å; K934-G942 WeakPolarHBondContact O-CA 2.98Å; K934-S943 PolarHBondContact N-O 2.89Å; K934-S943 PolarHBondContact O-N 2.88Å; K934-R945 HydrophobicContact CB-CG 3.93Å; K934-L1004 HydrophobicContact CB-CD2 3.75Å; K934-L1004 HydrophobicContact CG-CD2 3.97Å
935I86.3Confident82.3Confident14 Ų1455.5 Ų55.57%0.07229%0.29CS..EExtended strand (participates in β ladder)trans-82129-177.7-51.5-60.4000110.1F985 L1003I935-F985 HydrophobicContact CD1-CD1 4.38Å; I935-F985 HydrophobicContact CD1-CE1 3.54Å; I935-F985 HydrophobicContact CD1-CZ 4.1Å; I935-F985 HydrophobicContact CG1-CD1 4.03Å; I935-F985 HydrophobicContact CG1-CE1 3.59Å; I935-L1003 HydrophobicContact CB-CB 4.36Å; I935-L1003 HydrophobicContact CB-CD2 3.99Å; I935-L1003 HydrophobicContact CB-CG 4.11Å; I935-L1003 HydrophobicContact CG1-CD2 4.27Å; I935-L1003 HydrophobicContact CG1-CG 4.1Å; I935-L1003 HydrophobicContact CG2-CD2 4.07Å; I935-L1003 PolarHBondContact N-O 3.46Å
936N79.2Confident82.8Confident67 Ų6747.6 Ų47.636%0.35826%0.256SS..PPolyproline II helixtrans-85.6132.9-178.2-166.6-25.8000112.1A938 G940 K941N936-A938 PolarHBondContact O-N 3.04Å; N936-A938 PolarHBondContact OD1-N 3Å; N936-G940 WeakPolarHBondContact O-CA 3.37Å; N936-G940 PolarHBondContact O-N 3.36Å; N936-K941 WeakPolarHBondContact CB-O 3.09Å; N936-K941 PolarHBondContact N-O 3.25Å
937R69.8Low83.2Confident165 Ų16546.1 Ų46.162%0.62325%0.248SC*.THydrogen-bonded Turntrans-50.9-34.9177.865-178.9-177.9170.33.3115.1R1065R937-R1065 PolarHBondContact O-NH1 3.05Å
938A67.1Low83.6Confident62 Ų6243.8 Ų43.851%0.51224%0.236SC..THydrogen-bonded Turntrans-80.3-38.5-167.400000112.7N936N936-A938 PolarHBondContact O-N 3.04Å; N936-A938 PolarHBondContact OD1-N 3Å
939N70.5Confident83.5Confident78 Ų7843.8 Ų43.842%0.41724%0.236SC..THydrogen-bonded Turntrans-137.30.6-166.660.110.6000114.1K941N939-K941 HydrophobicContact CB-CG 4.42Å; N939-K941 PolarHBondContact O-N 3Å; N939-K941 WeakPolarHBondContact OD1-CB 3.4Å; N939-K941 PolarHBondContact OD1-N 3.07Å
940G71.1Confident83.5Confident6 Ų643.9 Ų43.96%0.06224%0.236CC..  trans69.95.4-177.300000114.5N936N936-G940 WeakPolarHBondContact O-CA 3.37Å; N936-G940 PolarHBondContact O-N 3.36Å
941K79.9Confident83.1Confident149 Ų14949.8 Ų49.865%0.64826%0.261SS*.  trans-78137.7178.1-65.4-172.7176.7-177.70110.8N936 N939N936-K941 WeakPolarHBondContact CB-O 3.09Å; N936-K941 PolarHBondContact N-O 3.25Å; N939-K941 HydrophobicContact CB-CG 4.42Å; N939-K941 PolarHBondContact O-N 3Å; N939-K941 WeakPolarHBondContact OD1-CB 3.4Å; N939-K941 PolarHBondContact OD1-N 3.07Å
942G81Confident82.8Confident43 Ų4353.5 Ų53.544%0.44327%0.274SS..EExtended strand (participates in β ladder)trans-76.5143.3175.100000112.7K934K934-G942 CarbonylContact O-C 3.41Å; K934-G942 WeakPolarHBondContact O-CA 2.98Å
943S84.6Confident82.6Confident43 Ų4355.4 Ų55.430%0.30129%0.285SS..EExtended strand (participates in β ladder)trans-122.5122.1169.2-58.60000108.8K934K934-S943 PolarHBondContact N-O 2.89Å; K934-S943 PolarHBondContact O-N 2.88Å
944S87.5Confident82.6Confident48 Ų4852.6 Ų52.634%0.33627%0.269SS..EExtended strand (participates in β ladder)trans-67.8135.7-176.8-49.80000112V932 N933V932-S944 CarbonylContact O-C 3.48Å; N933-S944 WeakPolarHBondContact OD1-CA 3.34Å; N933-S944 PolarHBondContact OD1-OG 3.33Å
945R89.5Confident82.6Confident51 Ų5149.1 Ų49.119%0.19226%0.255CS..EExtended strand (participates in β ladder)trans-139.1149.7-176.6-64.8-65.1177.7-105.37.3109.3V931 V932 K934 A957 D958V931-R945 CarbonylContact C-O 3.49Å; V931-R945 WeakPolarHBondContact CA-O 3.46Å; V932-R945 HydrophobicContact CG2-CB 4.29Å; V932-R945 PolarHBondContact N-O 3.35Å; V932-R945 PolarHBondContact O-N 2.88Å; V932-R945 VanDerWaalsContact O-O 3.11Å; K934-R945 HydrophobicContact CB-CG 3.93Å; R945-A957 CarbonylContact C-O 3.44Å; R945-A957 VanDerWaalsContact CA-O 3.3Å; R945-A957 WeakPolarHBondContact CA-O 3.15Å; R945-A957 WeakPolarHBondContact CD-O 3.29Å; R945-D958 IonicContact CZ-OD2 2.82Å; R945-D958 IonicContact NH1-OD2 3.15Å; R945-D958 PolarHBondContact NH1-OD2 2.82Å
946L89.5Confident82.6Confident0 Ų048.8 Ų48.80%025%0.253CS..EExtended strand (participates in β ladder)trans-81.4126.9167.5-58.2169.2000107.9L907 Y915 L918 V931 L956 A957 Q959L907-L946 HydrophobicContact CD1-CD2 3.62Å; Y915-L946 HydrophobicContact CD1-CD1 3.83Å; Y915-L946 HydrophobicContact CE1-CD1 3.61Å; Y915-L946 HydrophobicContact CE1-CD2 4.42Å; L918-L946 HydrophobicContact CD2-CD1 3.81Å; V931-L946 HydrophobicContact CG2-CD2 4.01Å; L946-L956 VanDerWaalsContact O-CA 3.31Å; L946-L956 WeakPolarHBondContact O-CA 3.39Å; L946-A957 HydrophobicContact CB-CB 4.25Å; L946-A957 HydrophobicContact CD1-CB 4.41Å; L946-A957 PolarHBondContact N-O 3.32Å; L946-A957 PolarHBondContact O-N 2.73Å; L946-Q959 HydrophobicContact CD2-CG 4.18Å; L946-Q959 HydrophobicContact CG-CB 4.47Å
947F90.4Very high83Confident0 Ų045.6 Ų45.60%024%0.236CC..EExtended strand (participates in β ladder)trans-105.7116.3174.5-176.4-86.4000108.7L928 A929 D930 V932 L949 V954 L956 L988 L1004 I1012 L1016L928-F947 HydrophobicContact CD2-CD1 3.72Å; L928-F947 HydrophobicContact CD2-CE1 4.04Å; A929-F947 WeakPolarHBondContact CA-O 3.35Å; D930-F947 PolarHBondContact N-O 2.84Å; D930-F947 PolarHBondContact O-N 3.37Å; V932-F947 HydrophobicContact CB-CB 4.23Å; V932-F947 HydrophobicContact CG1-CB 3.47Å; V932-F947 VanDerWaalsContact CG1-CB 3.47Å; V932-F947 HydrophobicContact CG1-CD2 4.39Å; V932-F947 HydrophobicContact CG1-CG 4.02Å; V932-F947 HydrophobicContact CG2-CB 3.71Å; V932-F947 HydrophobicContact CG2-CD2 4.26Å; V932-F947 HydrophobicContact CG2-CG 4.41Å; F947-L949 HydrophobicContact CE1-CB 4.12Å; F947-V954 HydrophobicContact CD2-CG1 4.2Å; F947-V954 HydrophobicContact CE2-CG1 3.43Å; F947-V954 VanDerWaalsContact CE2-CG1 3.43Å; F947-V954 HydrophobicContact CZ-CG1 3.65Å; F947-L956 HydrophobicContact CB-CD2 4.36Å; F947-L956 HydrophobicContact CD2-CD2 3.69Å; F947-L956 HydrophobicContact CG-CD2 4.46Å; F947-L988 HydrophobicContact CE2-CD1 4.21Å; F947-L1004 HydrophobicContact CD2-CD1 3.95Å; F947-L1004 HydrophobicContact CE2-CD1 3.96Å; F947-I1012 HydrophobicContact CD1-CG2 4.47Å; F947-I1012 HydrophobicContact CE1-CG2 3.72Å; F947-I1012 HydrophobicContact CZ-CG2 3.86Å; F947-L1016 HydrophobicContact CZ-CD1 4.39Å
948L89.3Confident83.7Confident0 Ų039.1 Ų39.10%021%0.213CC..EExtended strand (participates in β ladder)trans-116.1131.4175.5-44.5177.9000109.4I909 L918 V922 L928 A929 V955I909-L948 HydrophobicContact CD1-CD1 4.45Å; I909-L948 HydrophobicContact CD1-CD2 3.12Å; I909-L948 HydrophobicContact CD1-CG 4.4Å; L918-L948 HydrophobicContact CD2-CD1 3.74Å; L918-L948 HydrophobicContact CG-CD1 4Å; V922-L948 HydrophobicContact CG2-CD1 4.21Å; L928-L948 WeakPolarHBondContact O-CA 3.39Å; A929-L948 HydrophobicContact CB-CD2 3.64Å; L948-V955 HydrophobicContact CB-CB 4.15Å; L948-V955 PolarHBondContact N-O 3.03Å; L948-V955 PolarHBondContact O-N 3.37Å
949L86.8Confident84.4Confident0 Ų039.1 Ų39.10%020%0.203CC..EExtended strand (participates in β ladder)trans-112.1118.9174.5-179.259.8000109.2L927 L928 F947 V954 L970 K1015 L1016 I1019L927-L949 PolarHBondContact N-O 3.25Å; L928-L949 HydrophobicContact CB-CB 4.07Å; L928-L949 HydrophobicContact CB-CD2 4.38Å; L928-L949 PolarHBondContact N-O 3.36Å; L928-L949 PolarHBondContact O-N 3.37Å; F947-L949 HydrophobicContact CE1-CB 4.12Å; L949-V954 HydrophobicContact CD1-CG2 3.95Å; L949-L970 HydrophobicContact CD1-CD1 4.43Å; L949-L970 HydrophobicContact CD1-CD2 4.26Å; L949-K1015 HydrophobicContact CD2-CB 3.88Å; L949-L1016 HydrophobicContact CD1-CD2 3.49Å; L949-L1016 VanDerWaalsContact CD1-CD2 3.49Å; L949-L1016 HydrophobicContact CD1-CG 4.25Å; L949-L1016 HydrophobicContact CD2-CD2 4.24Å; L949-L1016 HydrophobicContact CD2-CG 4.09Å; L949-I1019 HydrophobicContact CD1-CD1 4.13Å; L949-I1019 HydrophobicContact CD2-CD1 3.74Å; L949-I1019 HydrophobicContact CG-CD1 3.83Å
950T86.9Confident84.9Confident1 Ų144.2 Ų44.21%0.00622%0.222CC..  trans-105.8180169.381.50000110.3V922 E924 K952 N953V922-T950 HydrophobicContact CG1-CG2 3.54Å; E924-T950 HydrophobicContact CB-CG2 4.22Å; E924-T950 WeakPolarHBondContact OE2-CB 3.47Å; E924-T950 PolarHBondContact OE2-OG1 3.48Å; T950-K952 PolarHBondContact O-N 2.94Å; T950-K952 PolarHBondContact OG1-N 3.09Å; T950-N953 PolarHBondContact N-O 3.38Å; T950-N953 PolarHBondContact OG1-N 3.01Å; T950-N953 PolarHBondContact OG1-O 2.97Å
951K81.6Confident85.1Confident137 Ų13748.1 Ų48.160%0.59624%0.244SC*.SBendtrans-62.9-26174.5-75-177.3176.2-176.70113.1L927 L970 I1019L927-K951 HydrophobicContact CD1-CG 3.8Å; L927-K951 HydrophobicContact CG-CG 4.47Å; K951-L970 WeakPolarHBondContact O-CD1 3.43Å; K951-I1019 WeakPolarHBondContact O-CG2 3.45Å
952K80.9Confident84.7Confident120 Ų12041.9 Ų41.952%0.52222%0.222SC..SBendtrans-116.6-28.1-174.7-60.1-168.8-161.9132.30114.3E924 T950 L970E924-K952 WeakPolarHBondContact OE1-CD 3.14Å; E924-K952 WeakPolarHBondContact OE1-CE 3.45Å; E924-K952 WeakPolarHBondContact OE1-CG 3.27Å; E924-K952 IonicContact OE1-NZ 3.64Å; E924-K952 PolarHBondContact OE1-NZ 3.2Å; E924-K952 PolarHBondContact OE2-N 3.31Å; T950-K952 PolarHBondContact O-N 2.94Å; T950-K952 PolarHBondContact OG1-N 3.09Å; K952-L970 VanDerWaalsContact O-CB 3.28Å; K952-L970 WeakPolarHBondContact O-CB 3.47Å; K952-L970 WeakPolarHBondContact O-CG 3.1Å; K952-L970 PolarHBondContact O-N 3.41Å
953N85.8Confident84.7Confident41 Ų4145.4 Ų45.422%0.21923%0.227CC..EExtended strand (participates in β ladder)trans-134.3152.5-168.6-59.5-32.2000113.1T950 V955 N967 V968 P969T950-N953 PolarHBondContact N-O 3.38Å; T950-N953 PolarHBondContact OG1-N 3.01Å; T950-N953 PolarHBondContact OG1-O 2.97Å; N953-V955 HydrophobicContact CB-CG2 4.43Å; N953-N967 WeakPolarHBondContact CB-OD1 3.4Å; N953-V968 CarbonylContact C-O 3.52Å; N953-V968 WeakPolarHBondContact CA-O 3.21Å; N953-P969 WeakPolarHBondContact OD1-CA 3.25Å
954V87.6Confident84.6Confident4 Ų447.6 Ų47.62%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-104.3120.1163.4179.10000108.4F947 L949 V968 L970 L988 L1016F947-V954 HydrophobicContact CD2-CG1 4.2Å; F947-V954 HydrophobicContact CE2-CG1 3.43Å; F947-V954 VanDerWaalsContact CE2-CG1 3.43Å; F947-V954 HydrophobicContact CZ-CG1 3.65Å; L949-V954 HydrophobicContact CD1-CG2 3.95Å; V954-V968 PolarHBondContact N-O 3.39Å; V954-V968 PolarHBondContact O-N 3.43Å; V954-L970 HydrophobicContact CG2-CD2 3.57Å; V954-L970 HydrophobicContact CG2-CG 4.43Å; V954-L988 HydrophobicContact CG1-CD1 4.27Å; V954-L1016 HydrophobicContact CG2-CD2 3.89Å
955V88.8Confident84.4Confident3 Ų350.4 Ų50.42%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-112.6130.6-178.2-178.10000110.1L948 N953 L964 A966L948-V955 HydrophobicContact CB-CB 4.15Å; L948-V955 PolarHBondContact N-O 3.03Å; L948-V955 PolarHBondContact O-N 3.37Å; N953-V955 HydrophobicContact CB-CG2 4.43Å; V955-L964 HydrophobicContact CG1-CD1 3.39Å; V955-L964 HydrophobicContact CG1-CG 4.2Å; V955-A966 WeakPolarHBondContact CA-O 3.5Å
956L87.8Confident84Confident7 Ų748.2 Ų48.24%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-111.9121.3171-64.7176.5000109.6V932 L946 F947 K965 A966 F1002 L1004V932-L956 HydrophobicContact CG2-CD2 4.28Å; L946-L956 VanDerWaalsContact O-CA 3.31Å; L946-L956 WeakPolarHBondContact O-CA 3.39Å; F947-L956 HydrophobicContact CB-CD2 4.36Å; F947-L956 HydrophobicContact CD2-CD2 3.69Å; F947-L956 HydrophobicContact CG-CD2 4.46Å; L956-K965 WeakPolarHBondContact O-CA 3.39Å; L956-K965 WeakPolarHBondContact O-CB 3.46Å; L956-K965 PolarHBondContact O-N 3.46Å; L956-A966 HydrophobicContact CB-CB 4.22Å; L956-A966 HydrophobicContact CD1-CB 4.43Å; L956-A966 PolarHBondContact N-O 3.11Å; L956-A966 PolarHBondContact O-N 3.4Å; L956-F1002 HydrophobicContact CD1-CD1 3.75Å; L956-F1002 HydrophobicContact CD1-CE1 3.95Å; L956-F1002 HydrophobicContact CD1-CG 4.3Å; L956-L1004 HydrophobicContact CD1-CD2 4.49Å; L956-L1004 HydrophobicContact CD2-CD1 4.35Å
957A86.8Confident83.9Confident0 Ų051.5 Ų51.50%025%0.251CS..EExtended strand (participates in β ladder)trans-121.7161.1175.500000112L918 R945 L946 Q963L918-A957 HydrophobicContact CD1-CB 3.74Å; L918-A957 HydrophobicContact CD2-CB 3.91Å; R945-A957 CarbonylContact C-O 3.44Å; R945-A957 VanDerWaalsContact CA-O 3.3Å; R945-A957 WeakPolarHBondContact CA-O 3.15Å; R945-A957 WeakPolarHBondContact CD-O 3.29Å; L946-A957 HydrophobicContact CB-CB 4.25Å; L946-A957 HydrophobicContact CD1-CB 4.41Å; L946-A957 PolarHBondContact N-O 3.32Å; L946-A957 PolarHBondContact O-N 2.73Å; A957-Q963 CarbonylContact C-O 3.49Å; A957-Q963 VanDerWaalsContact CA-O 3.29Å; A957-Q963 WeakPolarHBondContact CA-O 3.32Å; A957-Q963 WeakPolarHBondContact CB-O 3.03Å
958D85.1Confident83.7Confident28 Ų2852 Ų5215%0.1525%0.254CS..EExtended strand (participates in β ladder)trans-72.2133.9173.9-169.1-87.6000111.1R945 K960 T961 G962 Q963R945-D958 IonicContact CZ-OD2 2.82Å; R945-D958 IonicContact NH1-OD2 3.15Å; R945-D958 PolarHBondContact NH1-OD2 2.82Å; D958-K960 PolarHBondContact O-N 3.22Å; D958-K960 PolarHBondContact OD1-N 3.45Å; D958-T961 WeakPolarHBondContact CB-OG1 3.34Å; D958-T961 PolarHBondContact OD1-N 3.37Å; D958-T961 VanDerWaalsContact OD1-N 3.16Å; D958-G962 VanDerWaalsContact O-CA 3.28Å; D958-G962 WeakPolarHBondContact O-CA 3.42Å; D958-G962 PolarHBondContact O-N 2.82Å; D958-Q963 PolarHBondContact N-O 2.59Å
959Q82Confident83.5Confident63 Ų6353.8 Ų53.829%0.29427%0.266SS..THydrogen-bonded Turntrans-68.6-32.1-175.6-168.8-168.711.500113.6V931 L946V931-Q959 HydrophobicContact CG1-CG 4.45Å; V931-Q959 HydrophobicContact CG2-CG 4.42Å; L946-Q959 HydrophobicContact CD2-CG 4.18Å; L946-Q959 HydrophobicContact CG-CB 4.47Å
960K79.8Confident83.3Confident185 Ų18554.7 Ų54.780%0.80427%0.27SS*.THydrogen-bonded Turntrans-85.8-43.6-176.6-68.7-174.1177.9-175.80111.3D958D958-K960 PolarHBondContact O-N 3.22Å; D958-K960 PolarHBondContact OD1-N 3.45Å
961T75.9Confident83Confident88 Ų8858.2 Ų58.254%0.5429%0.292SS..THydrogen-bonded Turntrans-100.6-13.3-173.265.90000114.5D958 Q963D958-T961 WeakPolarHBondContact CB-OG1 3.34Å; D958-T961 PolarHBondContact OD1-N 3.37Å; D958-T961 VanDerWaalsContact OD1-N 3.16Å; T961-Q963 PolarHBondContact O-N 2.88Å; T961-Q963 PolarHBondContact OG1-N 3.04Å
962G71.8Confident83.1Confident17 Ų1752.9 Ų52.918%0.17527%0.27CS..  trans67.110.2-174.900000113.8L918 D958L918-G962 WeakPolarHBondContact CD1-O 3.45Å; D958-G962 VanDerWaalsContact O-CA 3.28Å; D958-G962 WeakPolarHBondContact O-CA 3.42Å; D958-G962 PolarHBondContact O-N 2.82Å
963Q80.2Confident83.2Confident117 Ų11747.9 Ų47.955%0.54725%0.249SC..  trans-75.7134179.1-74.9-176.8-13.500111.7A957 D958 T961 K965A957-Q963 CarbonylContact C-O 3.49Å; A957-Q963 VanDerWaalsContact CA-O 3.29Å; A957-Q963 WeakPolarHBondContact CA-O 3.32Å; A957-Q963 WeakPolarHBondContact CB-O 3.03Å; D958-Q963 PolarHBondContact N-O 2.59Å; T961-Q963 PolarHBondContact O-N 2.88Å; T961-Q963 PolarHBondContact OG1-N 3.04Å; Q963-K965 PolarHBondContact O-N 2.89Å
964L81.8Confident83.1Confident90 Ų9048.2 Ų48.247%0.47126%0.257SS..EExtended strand (participates in β ladder)trans-64.4125.7177.2-164.8116000111.1V955 N967V955-L964 HydrophobicContact CG1-CD1 3.39Å; V955-L964 HydrophobicContact CG1-CG 4.2Å; L964-N967 HydrophobicContact CD2-CB 4.1Å
965K83.2Confident83Confident107 Ų10749 Ų4947%0.46526%0.263SS..EExtended strand (participates in β ladder)trans-109.1-36.6179.2-65.3-61.4-176.2-171.80112.4L956 Q963L956-K965 WeakPolarHBondContact O-CA 3.39Å; L956-K965 WeakPolarHBondContact O-CB 3.46Å; L956-K965 PolarHBondContact O-N 3.46Å; Q963-K965 PolarHBondContact O-N 2.89Å
966A83Confident83.1Confident4 Ų448.8 Ų48.83%0.03326%0.262CS..EExtended strand (participates in β ladder)trans-146.8143.1171.600000110.2V955 L956 V968 F1002V955-A966 WeakPolarHBondContact CA-O 3.5Å; L956-A966 HydrophobicContact CB-CB 4.22Å; L956-A966 HydrophobicContact CD1-CB 4.43Å; L956-A966 PolarHBondContact N-O 3.11Å; L956-A966 PolarHBondContact O-N 3.4Å; A966-V968 HydrophobicContact CB-CG2 4.48Å; A966-F1002 HydrophobicContact CB-CE1 4.17Å; A966-F1002 HydrophobicContact CB-CZ 3.9Å
967N86.8Confident83.1Confident70 Ų7048.5 Ų48.537%0.37426%0.26SS..EExtended strand (participates in β ladder)trans-129.6114.1168.8-17913000105.5N953 L964N953-N967 WeakPolarHBondContact CB-OD1 3.4Å; L964-N967 HydrophobicContact CD2-CB 4.1Å
968V85.9Confident83.3Confident9 Ų948.5 Ų48.56%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-117.8113.5-172.7-179.50000107.8N953 V954 A966 D972 L990 F1002N953-V968 CarbonylContact C-O 3.52Å; N953-V968 WeakPolarHBondContact CA-O 3.21Å; V954-V968 PolarHBondContact N-O 3.39Å; V954-V968 PolarHBondContact O-N 3.43Å; A966-V968 HydrophobicContact CB-CG2 4.48Å; V968-D972 HydrophobicContact CG1-CB 4.47Å; V968-L990 HydrophobicContact CG1-CD2 3.64Å; V968-F1002 HydrophobicContact CG2-CE2 3.71Å; V968-F1002 HydrophobicContact CG2-CZ 4.19Å
969P86.1Confident83.5Confident39 Ų3947.1 Ų47.125%0.25325%0.253SS..EExtended strand (participates in β ladder)trans-58.5138.1171.2-24.235.4000111.4N953 T971 D972 S996N953-P969 WeakPolarHBondContact OD1-CA 3.25Å; P969-T971 WeakPolarHBondContact CB-OG1 3.24Å; P969-T971 PolarHBondContact O-N 3.25Å; P969-T971 VanDerWaalsContact O-N 3.15Å; P969-D972 WeakPolarHBondContact O-CB 3.47Å; P969-D972 PolarHBondContact O-N 2.56Å; P969-S996 WeakPolarHBondContact CD-OG 3.44Å
970L81.6Confident83.7Confident18 Ų1846.7 Ų46.79%0.09426%0.255CS..G310 helixtrans-64.2-17.4177.5-73171.6000112.7L949 K951 K952 V954 D972 L1016 I1019L949-L970 HydrophobicContact CD1-CD1 4.43Å; L949-L970 HydrophobicContact CD1-CD2 4.26Å; K951-L970 WeakPolarHBondContact O-CD1 3.43Å; K952-L970 VanDerWaalsContact O-CB 3.28Å; K952-L970 WeakPolarHBondContact O-CB 3.47Å; K952-L970 WeakPolarHBondContact O-CG 3.1Å; K952-L970 PolarHBondContact O-N 3.41Å; V954-L970 HydrophobicContact CG2-CD2 3.57Å; V954-L970 HydrophobicContact CG2-CG 4.43Å; L970-D972 PolarHBondContact O-N 2.89Å; L970-L1016 HydrophobicContact CD2-CD2 3.69Å; L970-I1019 HydrophobicContact CD1-CG2 3.73Å
971T80.5Confident84.1Confident76 Ų7638.5 Ų38.547%0.46622%0.219SC..G310 helixtrans-65.7-27169.747.20000113.2P969 L973 R1026P969-T971 WeakPolarHBondContact CB-OG1 3.24Å; P969-T971 PolarHBondContact O-N 3.25Å; P969-T971 VanDerWaalsContact O-N 3.15Å; T971-L973 VanDerWaalsContact C-N 3.29Å; T971-R1026 VanDerWaalsContact CG2-CZ 3.5Å
972D83Confident84.4Confident25 Ų2536.4 Ų36.413%0.13421%0.206CC..G310 helixtrans-89.8-2.1-174.3-62.74.6000111.3V968 P969 L970 L990 K991 S996V968-D972 HydrophobicContact CG1-CB 4.47Å; P969-D972 WeakPolarHBondContact O-CB 3.47Å; P969-D972 PolarHBondContact O-N 2.56Å; L970-D972 PolarHBondContact O-N 2.89Å; D972-L990 CarbonylContact O-C 3.51Å; D972-L990 VanDerWaalsContact O-CA 3.31Å; D972-L990 WeakPolarHBondContact O-CA 3.47Å; D972-K991 PolarHBondContact O-N 3.37Å; D972-S996 VanDerWaalsContact OD2-CB 3.32Å; D972-S996 WeakPolarHBondContact OD2-CB 3.18Å; D972-S996 PolarHBondContact OD2-OG 3.13Å
973L84.5Confident85.1Confident15 Ų1535.6 Ų35.68%0.07920%0.198CC..EExtended strand (participates in β ladder)trans-88118.8179.4-154.189.3000109.9T971 V976 L988 L990 L1029T971-L973 VanDerWaalsContact C-N 3.29Å; L973-V976 HydrophobicContact CD2-CG2 4.04Å; L973-L988 HydrophobicContact CD1-CB 3.94Å; L973-L988 HydrophobicContact CD1-CD1 4.46Å; L973-L988 HydrophobicContact CD1-CD2 4.22Å; L973-L988 HydrophobicContact CD1-CG 4.42Å; L973-L990 HydrophobicContact CD1-CD2 4.35Å; L973-L1029 HydrophobicContact CB-CD1 4.26Å; L973-L1029 HydrophobicContact CD2-CD1 3.57Å; L973-L1029 HydrophobicContact CD2-CD2 3.5Å; L973-L1029 HydrophobicContact CD2-CG 4.15Å; L973-L1029 HydrophobicContact CG-CD1 4.07Å
974A83.1Confident85.4Confident47 Ų4730.6 Ų30.639%0.38818%0.178SC..EExtended strand (participates in β ladder)trans-89.3-46.5-179.600000112.3K989 K991A974-K989 PolarHBondContact N-O 3.49Å; A974-K991 HydrophobicContact CB-CB 4.25Å
975S85.8Confident85.7Confident20 Ų2026.8 Ų26.814%0.1416%0.158CC..EExtended strand (participates in β ladder)trans-161.1165.6179.753.40000111.7K989 N1030S975-K989 PolarHBondContact N-O 2.77Å; S975-K989 WeakPolarHBondContact O-CB 3.42Å; S975-K989 PolarHBondContact O-N 3.03Å; S975-K989 WeakPolarHBondContact OG-CD 3.45Å; S975-N1030 VanDerWaalsContact CA-O 3.28Å; S975-N1030 WeakPolarHBondContact CA-O 3.4Å; S975-N1030 VanDerWaalsContact CB-O 3.25Å; S975-N1030 WeakPolarHBondContact CB-O 3.44Å
976V89.7Confident86.1Confident0 Ų021.7 Ų21.70%014%0.136CC..EExtended strand (participates in β ladder)trans-118.2124.2172.8-177.60000108.5L973 F986 A987 L988 I1013 L1029 N1030 I1031 D1032L973-V976 HydrophobicContact CD2-CG2 4.04Å; V976-F986 HydrophobicContact CG1-CB 4.37Å; V976-F986 HydrophobicContact CG1-CD2 4.41Å; V976-A987 WeakPolarHBondContact CA-O 3.04Å; V976-L988 HydrophobicContact CG1-CD2 4.27Å; V976-L988 HydrophobicContact CG2-CD2 3.78Å; V976-I1013 HydrophobicContact CG1-CD1 3.93Å; V976-I1013 HydrophobicContact CG1-CG1 4.1Å; V976-I1013 HydrophobicContact CG1-CG2 4.34Å; V976-L1029 HydrophobicContact CG2-CD2 3.89Å; V976-L1029 HydrophobicContact CG2-CG 4.47Å; V976-N1030 PolarHBondContact N-O 2.82Å; V976-I1031 WeakPolarHBondContact O-CA 3.37Å; V976-D1032 PolarHBondContact O-N 3.08Å
977S89.4Confident86.3Confident0 Ų021.5 Ų21.50%013%0.134CC..EExtended strand (participates in β ladder)trans-105.4138.9175-66.30000111.2F986 A987 K989 D1032S977-F986 CarbonylContact O-C 3.58Å; S977-F986 VanDerWaalsContact O-CA 3.25Å; S977-F986 WeakPolarHBondContact O-CA 3.43Å; S977-A987 PolarHBondContact N-O 2.87Å; S977-A987 PolarHBondContact O-N 2.92Å; S977-K989 WeakPolarHBondContact OG-CE 3.42Å; S977-K989 PolarHBondContact OG-NZ 3.44Å; S977-D1032 CarbonylContact C-O 3.54Å; S977-D1032 WeakPolarHBondContact CA-O 3.39Å; S977-D1032 PolarHBondContact OG-OD2 2.73Å
978T90.5Very high86.4Confident0 Ų018.4 Ų18.40%012%0.117CC..EExtended strand (participates in β ladder)trans-143.3162171.6-1700000110.2F887 K891 F985 I1013 D1032 I1033 S1034F887-T978 HydrophobicContact CE1-CG2 4.16Å; K891-T978 HydrophobicContact CD-CG2 4.16Å; K891-T978 PolarHBondContact NZ-OG1 3.46Å; T978-F985 PolarHBondContact OG1-O 2.89Å; T978-I1013 HydrophobicContact CG2-CD1 4.38Å; T978-D1032 PolarHBondContact N-O 2.93Å; T978-I1033 HydrophobicContact CG2-CG1 3.96Å; T978-I1033 HydrophobicContact CG2-CG2 4.38Å; T978-I1033 CarbonylContact O-C 3.58Å; T978-I1033 VanDerWaalsContact O-CA 3.26Å; T978-I1033 WeakPolarHBondContact O-CA 3.24Å; T978-S1034 PolarHBondContact O-N 3.24Å
979S89.7Confident86.5Confident0 Ų019.8 Ų19.80%012%0.122CC..  trans-77.6165.9178.168.40000112.9K891 Q981 D983 S1034K891-S979 WeakPolarHBondContact CG-O 3.48Å; K891-S979 PolarHBondContact NZ-O 3.41Å; K891-S979 PolarHBondContact NZ-OG 2.81Å; S979-Q981 VanDerWaalsContact C-N 3.27Å; S979-Q981 PolarHBondContact OG-N 2.94Å; S979-D983 WeakPolarHBondContact CB-OD2 3.29Å; S979-D983 PolarHBondContact OG-OD1 2.94Å; S979-D983 PolarHBondContact OG-OD2 3.46Å; S979-S1034 WeakPolarHBondContact CA-O 3.29Å
980T86.1Confident86.5Confident54 Ų5418.5 Ų18.533%0.33111%0.113SC..SBendtrans-79.9-8.2168.171.50000113K890 K891 A892 I1033 D1035K890-T980 WeakPolarHBondContact O-CA 3.33Å; K890-T980 WeakPolarHBondContact O-CB 3.47Å; K891-T980 WeakPolarHBondContact CA-O 3.12Å; A892-T980 WeakPolarHBondContact CB-O 3.44Å; A892-T980 PolarHBondContact N-O 2.94Å; T980-I1033 HydrophobicContact CG2-CG2 3.89Å; T980-D1035 WeakPolarHBondContact CB-OD1 3.4Å; T980-D1035 PolarHBondContact N-OD1 2.87Å; T980-D1035 PolarHBondContact OG1-OD1 2.98Å; T980-D1035 PolarHBondContact OG1-OD2 3.12Å
981Q86.8Confident86.5Confident12 Ų1224 Ų246%0.05614%0.137CC..SBendtrans-90-176.1-169.8-53.3-169.822.500113.2S979 D983 D1035 F1050 V1075S979-Q981 VanDerWaalsContact C-N 3.27Å; S979-Q981 PolarHBondContact OG-N 2.94Å; Q981-D983 PolarHBondContact O-N 3.48Å; Q981-D1035 PolarHBondContact NE2-OD2 2.83Å; Q981-F1050 PolarHBondContact NE2-O 3.02Å; Q981-V1075 HydrophobicContact CB-CB 4.37Å; Q981-V1075 HydrophobicContact CB-CG1 4.13Å; Q981-V1075 HydrophobicContact CB-CG2 4.16Å; Q981-V1075 VanDerWaalsContact OE1-CB 3.22Å; Q981-V1075 VanDerWaalsContact OE1-CG2 3.32Å
982T82.9Confident86.2Confident44 Ų4428 Ų2827%0.2715%0.15SC..SBendtrans-80.211.1-175.750.10000114.1A892 V1075A892-T982 HydrophobicContact CB-CG2 3.62Å; T982-V1075 VanDerWaalsContact OG1-CG1 3.25Å; T982-V1075 WeakPolarHBondContact OG1-CG1 3.37Å
983D86.6Confident85.5Confident1 Ų130.7 Ų30.71%0.00518%0.184CC..  trans-87.3157.9-178.469.884.5000113.4K891 L893 S979 Q981 F985 F1050 V1061 V1075K891-D983 WeakPolarHBondContact CE-O 3.22Å; K891-D983 PolarHBondContact NZ-O 3.46Å; K891-D983 IonicContact NZ-OD1 3.07Å; L893-D983 WeakPolarHBondContact CD2-O 3.33Å; S979-D983 WeakPolarHBondContact CB-OD2 3.29Å; S979-D983 PolarHBondContact OG-OD1 2.94Å; S979-D983 PolarHBondContact OG-OD2 3.46Å; Q981-D983 PolarHBondContact O-N 3.48Å; D983-F985 HydrophobicContact CB-CD2 3.95Å; D983-F985 WeakPolarHBondContact OD1-CA 3.17Å; D983-F985 VanDerWaalsContact OD1-CB 3.28Å; D983-F985 WeakPolarHBondContact OD1-CB 3.41Å; D983-F985 PolarHBondContact OD1-N 3Å; D983-F1050 WeakPolarHBondContact OD1-CE1 3.35Å; D983-F1050 WeakPolarHBondContact OD2-CD1 3.33Å; D983-V1061 HydrophobicContact CB-CG1 4.05Å; D983-V1061 HydrophobicContact CB-CG2 4.18Å; D983-V1075 HydrophobicContact CB-CG1 4.37Å; D983-V1075 HydrophobicContact CB-CG2 4.04Å
984G85.9Confident85.1Confident12 Ų1231 Ų3112%0.12419%0.188CC..  trans-90.518.1176.300000114.7S1005 S1006G984-S1005 CarbonylContact O-C 3.55Å; G984-S1005 VanDerWaalsContact O-CA 3.23Å; G984-S1005 WeakPolarHBondContact O-CA 3.43Å; G984-S1006 WeakPolarHBondContact CA-O 3.36Å; G984-S1006 PolarHBondContact O-N 3.28Å
985F88.3Confident84.7Confident10 Ų1033.2 Ų33.24%0.04421%0.206CC..EExtended strand (participates in β ladder)trans-85.1140.9-175.7-70.5-114.7000112.2I935 T978 D983 L1003 L1004 F1050 V1061 C1063 V1073I935-F985 HydrophobicContact CD1-CD1 4.38Å; I935-F985 HydrophobicContact CD1-CE1 3.54Å; I935-F985 HydrophobicContact CD1-CZ 4.1Å; I935-F985 HydrophobicContact CG1-CD1 4.03Å; I935-F985 HydrophobicContact CG1-CE1 3.59Å; T978-F985 PolarHBondContact OG1-O 2.89Å; D983-F985 HydrophobicContact CB-CD2 3.95Å; D983-F985 WeakPolarHBondContact OD1-CA 3.17Å; D983-F985 VanDerWaalsContact OD1-CB 3.28Å; D983-F985 WeakPolarHBondContact OD1-CB 3.41Å; D983-F985 PolarHBondContact OD1-N 3Å; F985-L1003 HydrophobicContact CD1-CD1 4.47Å; F985-L1003 HydrophobicContact CD1-CG 4.47Å; F985-L1004 CarbonylContact C-O 3.53Å; F985-L1004 VanDerWaalsContact CA-O 3.3Å; F985-L1004 WeakPolarHBondContact CA-O 3.23Å; F985-F1050 HydrophobicContact CB-CE1 3.99Å; F985-F1050 HydrophobicContact CB-CZ 3.96Å; F985-F1050 HydrophobicContact CG-CE1 4.34Å; F985-V1061 HydrophobicContact CD2-CG1 4.3Å; F985-V1061 HydrophobicContact CE2-CB 4.37Å; F985-V1061 HydrophobicContact CE2-CG1 3.6Å; F985-V1061 HydrophobicContact CZ-CG1 4.39Å; F985-C1063 HydrophobicContact CE1-CB 4.1Å; F985-C1063 HydrophobicContact CZ-CB 4.19Å; F985-V1073 HydrophobicContact CD2-CG1 4.39Å; F985-V1073 HydrophobicContact CE2-CG1 4.17Å; F985-V1073 HydrophobicContact CZ-CG1 4.36Å
986F90.9Very high84.2Confident0 Ų032.9 Ų32.90%020%0.204CC..EExtended strand (participates in β ladder)trans-148.2146.7172.163.3-72.4000111.4V976 S977 L988 L1004 L1009 I1012 I1013V976-F986 HydrophobicContact CG1-CB 4.37Å; V976-F986 HydrophobicContact CG1-CD2 4.41Å; S977-F986 CarbonylContact O-C 3.58Å; S977-F986 VanDerWaalsContact O-CA 3.25Å; S977-F986 WeakPolarHBondContact O-CA 3.43Å; F986-L988 HydrophobicContact CD2-CD2 3.99Å; F986-L988 HydrophobicContact CD2-CG 4.27Å; F986-L988 HydrophobicContact CE2-CD2 4.05Å; F986-L988 HydrophobicContact CE2-CG 4.18Å; F986-L1004 HydrophobicContact CD1-CB 4.1Å; F986-L1004 HydrophobicContact CD2-CB 4.47Å; F986-L1004 HydrophobicContact CE1-CB 3.61Å; F986-L1004 HydrophobicContact CE2-CB 4.03Å; F986-L1004 HydrophobicContact CE2-CD1 3.78Å; F986-L1004 HydrophobicContact CE2-CG 4.44Å; F986-L1004 HydrophobicContact CZ-CB 3.59Å; F986-L1004 HydrophobicContact CZ-CD1 3.71Å; F986-L1004 HydrophobicContact CZ-CG 4.28Å; F986-L1004 PolarHBondContact N-O 2.91Å; F986-L1004 PolarHBondContact O-N 2.75Å; F986-L1009 HydrophobicContact CB-CD1 3.64Å; F986-L1009 HydrophobicContact CD1-CD1 3.42Å; F986-L1009 VanDerWaalsContact CD1-CD1 3.42Å; F986-L1009 HydrophobicContact CE1-CD1 4.33Å; F986-L1009 HydrophobicContact CG-CD1 3.81Å; F986-I1012 HydrophobicContact CE2-CG2 4.23Å; F986-I1012 HydrophobicContact CZ-CG2 4.1Å; F986-I1013 HydrophobicContact CB-CD1 4Å; F986-I1013 HydrophobicContact CG-CD1 4.46Å
987A88.5Confident83.4Confident0 Ų034.3 Ų34.30%022%0.215CC..EExtended strand (participates in β ladder)trans-110.6127.6174.500000110.4V976 S977 F1002 L1003 F1037 V1039V976-A987 WeakPolarHBondContact CA-O 3.04Å; S977-A987 PolarHBondContact N-O 2.87Å; S977-A987 PolarHBondContact O-N 2.92Å; A987-F1002 CarbonylContact C-O 3.58Å; A987-F1002 VanDerWaalsContact CA-O 3.27Å; A987-F1002 WeakPolarHBondContact CA-O 3.43Å; A987-L1003 HydrophobicContact CB-CD1 4.15Å; A987-F1037 HydrophobicContact CB-CD2 4.15Å; A987-F1037 HydrophobicContact CB-CE2 3.55Å; A987-F1037 HydrophobicContact CB-CZ 4.29Å; A987-V1039 HydrophobicContact CB-CG2 3.98Å
988L89.1Confident82.5Confident4 Ų439.5 Ų39.52%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-90.5109.4168.6-61.3-177.5000108.2F947 V954 L973 V976 F986 D1001 F1002 L1004 L1016F947-L988 HydrophobicContact CE2-CD1 4.21Å; V954-L988 HydrophobicContact CG1-CD1 4.27Å; L973-L988 HydrophobicContact CD1-CB 3.94Å; L973-L988 HydrophobicContact CD1-CD1 4.46Å; L973-L988 HydrophobicContact CD1-CD2 4.22Å; L973-L988 HydrophobicContact CD1-CG 4.42Å; V976-L988 HydrophobicContact CG1-CD2 4.27Å; V976-L988 HydrophobicContact CG2-CD2 3.78Å; F986-L988 HydrophobicContact CD2-CD2 3.99Å; F986-L988 HydrophobicContact CD2-CG 4.27Å; F986-L988 HydrophobicContact CE2-CD2 4.05Å; F986-L988 HydrophobicContact CE2-CG 4.18Å; L988-D1001 WeakPolarHBondContact O-CA 3.38Å; L988-D1001 WeakPolarHBondContact O-CB 3.29Å; L988-F1002 HydrophobicContact CB-CB 4.3Å; L988-F1002 PolarHBondContact N-O 2.79Å; L988-F1002 PolarHBondContact O-N 2.73Å; L988-F1002 VanDerWaalsContact O-N 3.09Å; L988-L1004 HydrophobicContact CD1-CD1 4.09Å; L988-L1016 HydrophobicContact CD2-CD1 4.12Å
989K86.6Confident81.7Confident38 Ų3845.2 Ų45.217%0.16527%0.271CS..EExtended strand (participates in β ladder)trans-89.7127.9179-65.7179.5174.3170.20110.3A974 S975 S977 D1001 D1032 L1038A974-K989 PolarHBondContact N-O 3.49Å; S975-K989 PolarHBondContact N-O 2.77Å; S975-K989 WeakPolarHBondContact O-CB 3.42Å; S975-K989 PolarHBondContact O-N 3.03Å; S975-K989 WeakPolarHBondContact OG-CD 3.45Å; S977-K989 WeakPolarHBondContact OG-CE 3.42Å; S977-K989 PolarHBondContact OG-NZ 3.44Å; K989-D1001 WeakPolarHBondContact CA-OD1 3.33Å; K989-D1032 IonicContact NZ-OD2 3.8Å; K989-L1038 WeakPolarHBondContact CE-O 3.44Å
990L86.3Confident81.3Confident12 Ų1245.3 Ų45.36%0.06327%0.272CS..EExtended strand (participates in β ladder)trans-93.5147.5-179.5-57.1179.6000110.9V968 D972 L973 E992 S996 A997 G1000 D1001 F1002V968-L990 HydrophobicContact CG1-CD2 3.64Å; D972-L990 CarbonylContact O-C 3.51Å; D972-L990 VanDerWaalsContact O-CA 3.31Å; D972-L990 WeakPolarHBondContact O-CA 3.47Å; L973-L990 HydrophobicContact CD1-CD2 4.35Å; L990-E992 PolarHBondContact O-N 3.21Å; L990-S996 VanDerWaalsContact CD1-O 3.32Å; L990-S996 WeakPolarHBondContact CD1-O 3.47Å; L990-A997 HydrophobicContact CB-CB 4.49Å; L990-G1000 WeakPolarHBondContact CD1-O 3.43Å; L990-D1001 PolarHBondContact N-OD1 3.19Å; L990-F1002 HydrophobicContact CD1-CD2 4.49Å; L990-F1002 HydrophobicContact CD1-CE2 4.04Å
991K82.4Confident81.3Confident134 Ų13443.6 Ų43.658%0.58326%0.261SS*.PPolyproline II helixtrans-69124.5177.9-166.3174.3-177.4175.70109.9D972 A974 G993 S994D972-K991 PolarHBondContact O-N 3.37Å; A974-K991 HydrophobicContact CB-CB 4.25Å; K991-G993 PolarHBondContact O-N 2.98Å; K991-S994 WeakPolarHBondContact O-CB 3.5Å; K991-S994 PolarHBondContact O-N 3.32Å; K991-S994 VanDerWaalsContact O-N 3.16Å; K991-S994 PolarHBondContact O-OG 3.12Å
992E74.9Confident81.3Confident159 Ų15943.3 Ų43.374%0.74326%0.26SS*.THydrogen-bonded Turntrans-55.9129.3177-69.6-175.6168.900109.9L990L990-E992 PolarHBondContact O-N 3.21Å
993G67.7Low81.6Confident83 Ų8341.3 Ų41.386%0.85625%0.248SC*.THydrogen-bonded Turntrans93.4-8.5-176.900000116.4K991K991-G993 PolarHBondContact O-N 2.98Å
994S77.1Confident81.7Confident22 Ų2241.3 Ų41.315%0.15425%0.247CC..SBendtrans-74.5153174.563.50000112.7K991 S996 A997K991-S994 WeakPolarHBondContact O-CB 3.5Å; K991-S994 PolarHBondContact O-N 3.32Å; K991-S994 VanDerWaalsContact O-N 3.16Å; K991-S994 PolarHBondContact O-OG 3.12Å; S994-S996 PolarHBondContact O-N 2.98Å; S994-S996 VanDerWaalsContact O-N 3.15Å; S994-A997 VanDerWaalsContact O-CB 3.29Å; S994-A997 WeakPolarHBondContact O-CB 3.46Å; S994-A997 PolarHBondContact O-N 3.35Å; S994-A997 PolarHBondContact OG-N 3.16Å
995A73.3Confident81.9Confident93 Ų9341.7 Ų41.777%0.76925%0.248SC*.G310 helixtrans-57.8-30.2177.100000112.6
996S76Confident81.9Confident13 Ų1341.4 Ų41.49%0.09125%0.248CC..G310 helixtrans-74.7-26.1176.7-58.50000113.4P969 D972 L990 S994 V998 K999P969-S996 WeakPolarHBondContact CD-OG 3.44Å; D972-S996 VanDerWaalsContact OD2-CB 3.32Å; D972-S996 WeakPolarHBondContact OD2-CB 3.18Å; D972-S996 PolarHBondContact OD2-OG 3.13Å; L990-S996 VanDerWaalsContact CD1-O 3.32Å; L990-S996 WeakPolarHBondContact CD1-O 3.47Å; S994-S996 PolarHBondContact O-N 2.98Å; S994-S996 VanDerWaalsContact O-N 3.15Å; S996-V998 PolarHBondContact O-N 2.68Å; S996-V998 VanDerWaalsContact O-N 3.15Å; S996-K999 PolarHBondContact O-N 3.38Å; S996-K999 VanDerWaalsContact O-N 3.08Å
997A71.8Confident81.6Confident30 Ų3048.2 Ų48.225%0.24828%0.284CS..G310 helixtrans-62.6-22.3-17700000113.6L990 S994 K999 G1000L990-A997 HydrophobicContact CB-CB 4.49Å; S994-A997 VanDerWaalsContact O-CB 3.29Å; S994-A997 WeakPolarHBondContact O-CB 3.46Å; S994-A997 PolarHBondContact O-N 3.35Å; S994-A997 PolarHBondContact OG-N 3.16Å; A997-K999 PolarHBondContact O-N 3Å; A997-K999 VanDerWaalsContact O-N 3.11Å; A997-G1000 PolarHBondContact O-N 3.44Å
998V72Confident81.6Confident109 Ų10950.4 Ų50.466%0.66129%0.294SS*.G310 helixtrans-58.5-24174.5-175.60000112.2S996 K1042S996-V998 PolarHBondContact O-N 2.68Å; S996-V998 VanDerWaalsContact O-N 3.15Å; V998-K1042 WeakPolarHBondContact O-CE 3.45Å; V998-K1042 WeakPolarHBondContact O-CG 3.35Å
999K72.1Confident81.6Confident119 Ų11950.2 Ų50.252%0.51729%0.293SS..G310 helixtrans-85-13.9178-66.6-176.6179.6177.50113.5S996 A997 F1002S996-K999 PolarHBondContact O-N 3.38Å; S996-K999 VanDerWaalsContact O-N 3.08Å; A997-K999 PolarHBondContact O-N 3Å; A997-K999 VanDerWaalsContact O-N 3.11Å; K999-F1002 HydrophobicContact CB-CZ 4.33Å
1000G81.3Confident81.8Confident2 Ų248.6 Ų48.62%0.02129%0.286CS..  trans75.4170.1-171.400000113.3L990 A997 Q1040L990-G1000 WeakPolarHBondContact CD1-O 3.43Å; A997-G1000 PolarHBondContact O-N 3.44Å; G1000-Q1040 CarbonylContact C-O 3.44Å; G1000-Q1040 WeakPolarHBondContact CA-O 3.32Å
1001D86.4Confident82Confident18 Ų1848.2 Ų48.210%0.09628%0.284CS..  trans-64.4153.1177.7-66.3-18.6000111.8L988 K989 L990 V1039 Q1040L988-D1001 WeakPolarHBondContact O-CA 3.38Å; L988-D1001 WeakPolarHBondContact O-CB 3.29Å; K989-D1001 WeakPolarHBondContact CA-OD1 3.33Å; L990-D1001 PolarHBondContact N-OD1 3.19Å; D1001-V1039 HydrophobicContact CB-CG1 3.44Å; D1001-V1039 VanDerWaalsContact CB-CG1 3.44Å; D1001-Q1040 PolarHBondContact N-O 3.1Å; D1001-Q1040 PolarHBondContact OD2-N 3.31Å
1002F88.2Confident82.2Confident7 Ų741.8 Ų41.83%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-107.6116.9-179.1-62.3-86.6000111.4L956 A966 V968 A987 L988 L990 K999 L1004L956-F1002 HydrophobicContact CD1-CD1 3.75Å; L956-F1002 HydrophobicContact CD1-CE1 3.95Å; L956-F1002 HydrophobicContact CD1-CG 4.3Å; A966-F1002 HydrophobicContact CB-CE1 4.17Å; A966-F1002 HydrophobicContact CB-CZ 3.9Å; V968-F1002 HydrophobicContact CG2-CE2 3.71Å; V968-F1002 HydrophobicContact CG2-CZ 4.19Å; A987-F1002 CarbonylContact C-O 3.58Å; A987-F1002 VanDerWaalsContact CA-O 3.27Å; A987-F1002 WeakPolarHBondContact CA-O 3.43Å; L988-F1002 HydrophobicContact CB-CB 4.3Å; L988-F1002 PolarHBondContact N-O 2.79Å; L988-F1002 PolarHBondContact O-N 2.73Å; L988-F1002 VanDerWaalsContact O-N 3.09Å; L990-F1002 HydrophobicContact CD1-CD2 4.49Å; L990-F1002 HydrophobicContact CD1-CE2 4.04Å; K999-F1002 HydrophobicContact CB-CZ 4.33Å; F1002-L1004 HydrophobicContact CB-CG 4.36Å
1003L87.9Confident82.9Confident2 Ų234.3 Ų34.31%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-93117.1168.6-173.365.2000110I935 F985 A987 F1037 V1048 L1071I935-L1003 HydrophobicContact CB-CB 4.36Å; I935-L1003 HydrophobicContact CB-CD2 3.99Å; I935-L1003 HydrophobicContact CB-CG 4.11Å; I935-L1003 HydrophobicContact CG1-CD2 4.27Å; I935-L1003 HydrophobicContact CG1-CG 4.1Å; I935-L1003 HydrophobicContact CG2-CD2 4.07Å; I935-L1003 PolarHBondContact N-O 3.46Å; F985-L1003 HydrophobicContact CD1-CD1 4.47Å; F985-L1003 HydrophobicContact CD1-CG 4.47Å; A987-L1003 HydrophobicContact CB-CD1 4.15Å; L1003-F1037 HydrophobicContact CD1-CE2 4.28Å; L1003-F1037 HydrophobicContact CD1-CZ 4.42Å; L1003-V1048 HydrophobicContact CD2-CG2 4.11Å; L1003-L1071 HydrophobicContact CD2-CD1 4.29Å
1004L90.4Very high83.9Confident0 Ų030.4 Ų30.40%018%0.181CC..EExtended strand (participates in β ladder)trans-125.3157.5-174.4-58.7178.1000110.6V932 N933 K934 F947 L956 F985 F986 L988 F1002V932-L1004 HydrophobicContact CG2-CD1 4.37Å; V932-L1004 HydrophobicContact CG2-CD2 4.18Å; N933-L1004 CarbonylContact O-C 3.53Å; N933-L1004 WeakPolarHBondContact O-CA 3.33Å; K934-L1004 HydrophobicContact CB-CD2 3.75Å; K934-L1004 HydrophobicContact CG-CD2 3.97Å; F947-L1004 HydrophobicContact CD2-CD1 3.95Å; F947-L1004 HydrophobicContact CE2-CD1 3.96Å; L956-L1004 HydrophobicContact CD1-CD2 4.49Å; L956-L1004 HydrophobicContact CD2-CD1 4.35Å; F985-L1004 CarbonylContact C-O 3.53Å; F985-L1004 VanDerWaalsContact CA-O 3.3Å; F985-L1004 WeakPolarHBondContact CA-O 3.23Å; F986-L1004 HydrophobicContact CD1-CB 4.1Å; F986-L1004 HydrophobicContact CD2-CB 4.47Å; F986-L1004 HydrophobicContact CE1-CB 3.61Å; F986-L1004 HydrophobicContact CE2-CB 4.03Å; F986-L1004 HydrophobicContact CE2-CD1 3.78Å; F986-L1004 HydrophobicContact CE2-CG 4.44Å; F986-L1004 HydrophobicContact CZ-CB 3.59Å; F986-L1004 HydrophobicContact CZ-CD1 3.71Å; F986-L1004 HydrophobicContact CZ-CG 4.28Å; F986-L1004 PolarHBondContact N-O 2.91Å; F986-L1004 PolarHBondContact O-N 2.75Å; L988-L1004 HydrophobicContact CD1-CD1 4.09Å; F1002-L1004 HydrophobicContact CB-CG 4.36Å
1005S88.6Confident84.4Confident20 Ų2030.6 Ų30.614%0.1418%0.179CC..EExtended strand (participates in β ladder)trans-134.7131.1173.4-178.10000110.3N933 G984N933-S1005 PolarHBondContact N-O 2.72Å; N933-S1005 PolarHBondContact O-N 2.77Å; G984-S1005 CarbonylContact O-C 3.55Å; G984-S1005 VanDerWaalsContact O-CA 3.23Å; G984-S1005 WeakPolarHBondContact O-CA 3.43Å
1006S88.4Confident85Confident5 Ų526.2 Ų26.24%0.03514%0.143CC..  trans-146.2147.3-179.9171.20000111.2D930 G984 H1008 I1012D930-S1006 PolarHBondContact OD2-OG 3Å; G984-S1006 WeakPolarHBondContact CA-O 3.36Å; G984-S1006 PolarHBondContact O-N 3.28Å; S1006-H1008 VanDerWaalsContact C-N 3.26Å; S1006-H1008 PolarHBondContact OG-N 2.92Å; S1006-I1012 WeakPolarHBondContact OG-CD1 3.12Å
1007D84.1Confident85.4Confident142 Ų14227.4 Ų27.476%0.75915%0.146SC*.THydrogen-bonded Turntrans-73-20.8172.4-61.7-31.8000112
1008H89.1Confident86Confident46 Ų4628.4 Ų28.421%0.21314%0.144CC..THydrogen-bonded Turntrans-10322178.4-49104000113Y906 D930 S1006 I1010 E1011 I1012Y906-H1008 AromaticContact CE1-CD2 3.96Å; Y906-H1008 AromaticContact CE1-NE2 3.74Å; Y906-H1008 AromaticContact CZ-CD2 3.82Å; D930-H1008 VanDerWaalsContact CG-ND1 3.31Å; D930-H1008 IonicContact OD1-CE1 3.17Å; D930-H1008 IonicContact OD1-ND1 3.32Å; D930-H1008 PolarHBondContact OD1-ND1 3.36Å; D930-H1008 IonicContact OD2-CE1 2.7Å; D930-H1008 IonicContact OD2-CG 2.7Å; D930-H1008 IonicContact OD2-ND1 2.82Å; D930-H1008 PolarHBondContact OD2-ND1 3.36Å; S1006-H1008 VanDerWaalsContact C-N 3.26Å; S1006-H1008 PolarHBondContact OG-N 2.92Å; H1008-I1010 PolarHBondContact O-N 3.49Å; H1008-E1011 PolarHBondContact O-N 3.05Å; H1008-I1012 WeakPolarHBondContact O-CG1 3.5Å; H1008-I1012 PolarHBondContact O-N 3.36Å; H1008-I1012 VanDerWaalsContact O-N 3.09Å
1009L89.1Confident86.3Confident0 Ų024.6 Ų24.60%012%0.12CC..Hα-helixtrans-34-52.3175.7177.566.5000112.9F887 K891 L893 F986 E1011 I1012 I1013F887-L1009 HydrophobicContact CE1-CD2 4.49Å; K891-L1009 HydrophobicContact CD-CD2 3.95Å; L893-L1009 HydrophobicContact CD2-CB 4.17Å; L893-L1009 HydrophobicContact CD2-CG 4.3Å; F986-L1009 HydrophobicContact CB-CD1 3.64Å; F986-L1009 HydrophobicContact CD1-CD1 3.42Å; F986-L1009 VanDerWaalsContact CD1-CD1 3.42Å; F986-L1009 HydrophobicContact CE1-CD1 4.33Å; F986-L1009 HydrophobicContact CG-CD1 3.81Å; L1009-E1011 PolarHBondContact O-N 3.42Å; L1009-I1012 PolarHBondContact O-N 3.15Å; L1009-I1013 HydrophobicContact CD1-CD1 3.78Å; L1009-I1013 HydrophobicContact CD2-CD1 3.74Å; L1009-I1013 HydrophobicContact CG-CD1 4.38Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.42Å; L1009-I1013 PolarHBondContact O-N 2.94Å
1010I90.5Very high86Confident4 Ų419.5 Ų19.52%0.02110%0.101CC..Hα-helixtrans-63.7-45.2-173.5-59.8-67.7000111A883 F887 K891 Y894 F902 H1008 T1014A883-I1010 HydrophobicContact CB-CG2 4.08Å; F887-I1010 HydrophobicContact CB-CD1 4.08Å; F887-I1010 HydrophobicContact CD1-CD1 3.88Å; F887-I1010 HydrophobicContact CD2-CD1 3.75Å; F887-I1010 HydrophobicContact CD2-CG2 3.92Å; F887-I1010 HydrophobicContact CE1-CD1 4.26Å; F887-I1010 HydrophobicContact CE2-CD1 4.13Å; F887-I1010 HydrophobicContact CE2-CG2 4.22Å; F887-I1010 HydrophobicContact CG-CD1 3.62Å; F887-I1010 HydrophobicContact CZ-CD1 4.37Å; K891-I1010 HydrophobicContact CD-CD1 4.21Å; Y894-I1010 HydrophobicContact CD2-CD1 4.23Å; Y894-I1010 HydrophobicContact CD2-CG2 3.96Å; Y894-I1010 HydrophobicContact CE2-CG2 4.19Å; F902-I1010 HydrophobicContact CZ-CG2 4.32Å; H1008-I1010 PolarHBondContact O-N 3.49Å; I1010-T1014 WeakPolarHBondContact O-CB 3.09Å; I1010-T1014 PolarHBondContact O-N 3.37Å; I1010-T1014 VanDerWaalsContact O-N 3.07Å; I1010-T1014 PolarHBondContact O-OG1 3.25Å
1011E89.9Confident85.1Confident4 Ų422.2 Ų22.22%0.01912%0.12CC..Hα-helixtrans-68.7-41.3178.7-175.4175.8175.100111.9F902 K903 G904 Y906 L928 H1008 L1009 I1013 T1014 K1015F902-E1011 WeakPolarHBondContact CA-OE2 3.33Å; F902-E1011 HydrophobicContact CB-CG 4.2Å; F902-E1011 HydrophobicContact CD1-CB 3.93Å; F902-E1011 HydrophobicContact CD1-CG 3.95Å; F902-E1011 HydrophobicContact CD2-CB 4.45Å; F902-E1011 HydrophobicContact CD2-CG 3.9Å; F902-E1011 HydrophobicContact CE1-CB 3.83Å; F902-E1011 HydrophobicContact CE1-CG 4.26Å; F902-E1011 HydrophobicContact CE2-CB 4.35Å; F902-E1011 HydrophobicContact CE2-CG 4.21Å; F902-E1011 HydrophobicContact CG-CB 4.25Å; F902-E1011 HydrophobicContact CG-CG 3.76Å; F902-E1011 HydrophobicContact CZ-CB 4.05Å; F902-E1011 HydrophobicContact CZ-CG 4.38Å; K903-E1011 PolarHBondContact N-OE1 3.48Å; K903-E1011 VanDerWaalsContact N-OE1 3.15Å; G904-E1011 WeakPolarHBondContact CA-OE1 3.24Å; G904-E1011 PolarHBondContact N-OE1 3.25Å; Y906-E1011 VanDerWaalsContact CE2-OE2 3.25Å; Y906-E1011 WeakPolarHBondContact CE2-OE2 2.89Å; Y906-E1011 VanDerWaalsContact CZ-OE2 3.26Å; Y906-E1011 PolarHBondContact OH-OE2 3.29Å; L928-E1011 HydrophobicContact CD1-CG 3.95Å; H1008-E1011 PolarHBondContact O-N 3.05Å; L1009-E1011 PolarHBondContact O-N 3.42Å; E1011-I1013 PolarHBondContact O-N 3.3Å; E1011-T1014 PolarHBondContact O-N 3.47Å; E1011-K1015 HydrophobicContact CG-CD 4.24Å; E1011-K1015 PolarHBondContact O-N 3.12Å; E1011-K1015 VanDerWaalsContact OE1-CE 3.24Å; E1011-K1015 WeakPolarHBondContact OE1-CE 3.02Å
1012I88.5Confident83.9Confident0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-57.9-51.7179.3-67.6171.9000110.7L928 V932 F947 F986 S1006 H1008 L1009 K1015 L1016L928-I1012 HydrophobicContact CD1-CB 4.44Å; L928-I1012 HydrophobicContact CD1-CG1 3.73Å; L928-I1012 HydrophobicContact CD2-CD1 4.38Å; L928-I1012 HydrophobicContact CD2-CG1 3.74Å; L928-I1012 HydrophobicContact CG-CG1 4.41Å; V932-I1012 HydrophobicContact CG1-CD1 4.21Å; F947-I1012 HydrophobicContact CD1-CG2 4.47Å; F947-I1012 HydrophobicContact CE1-CG2 3.72Å; F947-I1012 HydrophobicContact CZ-CG2 3.86Å; F986-I1012 HydrophobicContact CE2-CG2 4.23Å; F986-I1012 HydrophobicContact CZ-CG2 4.1Å; S1006-I1012 WeakPolarHBondContact OG-CD1 3.12Å; H1008-I1012 WeakPolarHBondContact O-CG1 3.5Å; H1008-I1012 PolarHBondContact O-N 3.36Å; H1008-I1012 VanDerWaalsContact O-N 3.09Å; L1009-I1012 PolarHBondContact O-N 3.15Å; I1012-K1015 PolarHBondContact O-N 3.36Å; I1012-L1016 HydrophobicContact CG2-CD1 3.99Å; I1012-L1016 WeakPolarHBondContact O-CB 3.42Å; I1012-L1016 WeakPolarHBondContact O-CG 3.26Å; I1012-L1016 PolarHBondContact O-N 3.03Å
1013I88.9Confident82.4Confident1 Ų130.2 Ų30.21%0.00517%0.165CC..Hα-helixtrans-70.4-38.5-177.6-59.7179.3000111F887 V976 T978 F986 L1009 E1011 K1015 L1016 H1017 I1031F887-I1013 HydrophobicContact CE1-CD1 4.35Å; F887-I1013 HydrophobicContact CE2-CB 4.3Å; F887-I1013 HydrophobicContact CE2-CG2 4.37Å; F887-I1013 HydrophobicContact CZ-CB 3.69Å; F887-I1013 HydrophobicContact CZ-CD1 4.04Å; F887-I1013 HydrophobicContact CZ-CG1 4.44Å; F887-I1013 HydrophobicContact CZ-CG2 3.6Å; V976-I1013 HydrophobicContact CG1-CD1 3.93Å; V976-I1013 HydrophobicContact CG1-CG1 4.1Å; V976-I1013 HydrophobicContact CG1-CG2 4.34Å; T978-I1013 HydrophobicContact CG2-CD1 4.38Å; F986-I1013 HydrophobicContact CB-CD1 4Å; F986-I1013 HydrophobicContact CG-CD1 4.46Å; L1009-I1013 HydrophobicContact CD1-CD1 3.78Å; L1009-I1013 HydrophobicContact CD2-CD1 3.74Å; L1009-I1013 HydrophobicContact CG-CD1 4.38Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.42Å; L1009-I1013 PolarHBondContact O-N 2.94Å; E1011-I1013 PolarHBondContact O-N 3.3Å; I1013-K1015 PolarHBondContact O-N 2.89Å; I1013-L1016 PolarHBondContact O-N 3.33Å; I1013-H1017 WeakPolarHBondContact O-CB 3.19Å; I1013-H1017 PolarHBondContact O-N 3.46Å; I1013-I1031 HydrophobicContact CG2-CD1 3.63Å; I1013-I1031 HydrophobicContact CG2-CG1 4.15Å; I1013-I1031 HydrophobicContact CG2-CG2 4.45Å
1014T88.9Confident80.5Confident1 Ų135.3 Ų35.31%0.00621%0.208CC..Hα-helixtrans-61.3-44.3176.3-64.20000111.7E879 E882 A883 F902 I1010 E1011 H1017 R1018E879-T1014 WeakPolarHBondContact O-CG2 3.46Å; E882-T1014 HydrophobicContact CB-CG2 4.17Å; A883-T1014 WeakPolarHBondContact CA-OG1 3.45Å; A883-T1014 HydrophobicContact CB-CG2 4.03Å; A883-T1014 VanDerWaalsContact CB-OG1 3.27Å; A883-T1014 WeakPolarHBondContact CB-OG1 3.48Å; F902-T1014 HydrophobicContact CE2-CG2 4.41Å; I1010-T1014 WeakPolarHBondContact O-CB 3.09Å; I1010-T1014 PolarHBondContact O-N 3.37Å; I1010-T1014 VanDerWaalsContact O-N 3.07Å; I1010-T1014 PolarHBondContact O-OG1 3.25Å; E1011-T1014 PolarHBondContact O-N 3.47Å; T1014-H1017 PolarHBondContact O-N 3.26Å; T1014-R1018 WeakPolarHBondContact O-CB 3.37Å; T1014-R1018 PolarHBondContact O-N 2.81Å
1015K87.6Confident78.7Confident26 Ų2643.3 Ų43.311%0.11325%0.25CS..Hα-helixtrans-67.3-39176.7-73.2-174.5-175.4-73.10112.2E879 L928 L949 E1011 I1012 I1013 H1017 R1018 I1019E879-K1015 IonicContact OE1-NZ 3.91Å; E879-K1015 PolarHBondContact OE1-NZ 2.85Å; E879-K1015 IonicContact OE2-NZ 3.45Å; E879-K1015 PolarHBondContact OE2-NZ 3.36Å; L928-K1015 HydrophobicContact CB-CD 4.16Å; L928-K1015 HydrophobicContact CD1-CD 4.04Å; L949-K1015 HydrophobicContact CD2-CB 3.88Å; E1011-K1015 HydrophobicContact CG-CD 4.24Å; E1011-K1015 PolarHBondContact O-N 3.12Å; E1011-K1015 VanDerWaalsContact OE1-CE 3.24Å; E1011-K1015 WeakPolarHBondContact OE1-CE 3.02Å; I1012-K1015 PolarHBondContact O-N 3.36Å; I1013-K1015 PolarHBondContact O-N 2.89Å; K1015-H1017 PolarHBondContact O-N 2.83Å; K1015-R1018 PolarHBondContact O-N 3.14Å; K1015-I1019 WeakPolarHBondContact O-CD1 3.17Å; K1015-I1019 WeakPolarHBondContact O-CG1 3.38Å; K1015-I1019 PolarHBondContact O-N 3.07Å
1016L85.7Confident77.3Confident2 Ų246.7 Ų46.71%0.0126%0.26CS..Hα-helixtrans-58.4-46172.5-81.1167.3000112F947 L949 V954 L970 L988 I1012 I1013 G1020 L1029F947-L1016 HydrophobicContact CZ-CD1 4.39Å; L949-L1016 HydrophobicContact CD1-CD2 3.49Å; L949-L1016 VanDerWaalsContact CD1-CD2 3.49Å; L949-L1016 HydrophobicContact CD1-CG 4.25Å; L949-L1016 HydrophobicContact CD2-CD2 4.24Å; L949-L1016 HydrophobicContact CD2-CG 4.09Å; V954-L1016 HydrophobicContact CG2-CD2 3.89Å; L970-L1016 HydrophobicContact CD2-CD2 3.69Å; L988-L1016 HydrophobicContact CD2-CD1 4.12Å; I1012-L1016 HydrophobicContact CG2-CD1 3.99Å; I1012-L1016 WeakPolarHBondContact O-CB 3.42Å; I1012-L1016 WeakPolarHBondContact O-CG 3.26Å; I1012-L1016 PolarHBondContact O-N 3.03Å; I1013-L1016 PolarHBondContact O-N 3.33Å; L1016-G1020 PolarHBondContact O-N 2.88Å; L1016-G1020 VanDerWaalsContact O-N 3.15Å; L1016-L1029 HydrophobicContact CB-CD2 4.33Å
1017H84.9Confident75.9Confident37 Ų3755.4 Ų55.417%0.17130%0.3CS..Hα-helixtrans-63.5-44.9178.5-170.970.3000112.3L886 I1013 T1014 K1015 G1020 S1021 L1029 I1031L886-H1017 HydrophobicContact CD1-CB 3.99Å; I1013-H1017 WeakPolarHBondContact O-CB 3.19Å; I1013-H1017 PolarHBondContact O-N 3.46Å; T1014-H1017 PolarHBondContact O-N 3.26Å; K1015-H1017 PolarHBondContact O-N 2.83Å; H1017-G1020 PolarHBondContact O-N 2.78Å; H1017-S1021 PolarHBondContact O-N 3.1Å; H1017-L1029 PolarHBondContact ND1-O 3.05Å; H1017-L1029 VanDerWaalsContact ND1-O 3.13Å; H1017-I1031 HydrophobicContact CB-CD1 3.87Å
1018R83.5Confident75Confident52 Ų5255.9 Ų55.920%0.19630%0.295CS..Hα-helixtrans-65.2-44.1-179-167.8-177-178.3122-10.3112.3E878 E882 T1014 K1015 G1020 S1021 M1022E878-R1018 IonicContact OE2-NH2 3.42Å; E882-R1018 VanDerWaalsContact CD-NH1 3.33Å; E882-R1018 IonicContact OE1-CZ 3.36Å; E882-R1018 IonicContact OE1-NH1 3.95Å; E882-R1018 PolarHBondContact OE1-NH1 3.45Å; E882-R1018 VanDerWaalsContact OE2-CD 3.24Å; E882-R1018 WeakPolarHBondContact OE2-CD 3.22Å; E882-R1018 WeakPolarHBondContact OE2-CG 3.49Å; E882-R1018 IonicContact OE2-CZ 2.85Å; E882-R1018 IonicContact OE2-NE 3.61Å; E882-R1018 IonicContact OE2-NH1 2.67Å; E882-R1018 PolarHBondContact OE2-NH1 3.29Å; T1014-R1018 WeakPolarHBondContact O-CB 3.37Å; T1014-R1018 PolarHBondContact O-N 2.81Å; K1015-R1018 PolarHBondContact O-N 3.14Å; R1018-G1020 VanDerWaalsContact C-N 3.3Å; R1018-G1020 PolarHBondContact O-N 3.28Å; R1018-S1021 PolarHBondContact O-N 3.35Å; R1018-S1021 VanDerWaalsContact O-N 3.14Å; R1018-M1022 HydrophobicContact CG-SD 4.42Å; R1018-M1022 WeakPolarHBondContact O-CG 3.44Å; R1018-M1022 PolarHBondContact O-N 2.89Å
1019I78.4Confident74.5Confident29 Ų2954.6 Ų54.615%0.14929%0.29CS..Hα-helixtrans-62.5-40.5176.5-64.7160.7000110.6L927 L949 K951 L970 K1015 S1021 M1022L927-I1019 HydrophobicContact CD1-CD1 3.38Å; L927-I1019 HydrophobicContact CD1-CG1 3.88Å; L949-I1019 HydrophobicContact CD1-CD1 4.13Å; L949-I1019 HydrophobicContact CD2-CD1 3.74Å; L949-I1019 HydrophobicContact CG-CD1 3.83Å; K951-I1019 WeakPolarHBondContact O-CG2 3.45Å; L970-I1019 HydrophobicContact CD1-CG2 3.73Å; K1015-I1019 WeakPolarHBondContact O-CD1 3.17Å; K1015-I1019 WeakPolarHBondContact O-CG1 3.38Å; K1015-I1019 PolarHBondContact O-N 3.07Å; I1019-S1021 PolarHBondContact O-N 3.26Å; I1019-M1022 PolarHBondContact O-N 3.24Å
1020G65.4Low74.1Confident12 Ų1259.6 Ų59.612%0.12432%0.317CS..Hα-helixtrans-59.4-32.7175.100000113.5L1016 H1017 R1018L1016-G1020 PolarHBondContact O-N 2.88Å; L1016-G1020 VanDerWaalsContact O-N 3.15Å; H1017-G1020 PolarHBondContact O-N 2.78Å; R1018-G1020 VanDerWaalsContact C-N 3.3Å; R1018-G1020 PolarHBondContact O-N 3.28Å
1021S63.1Low73.9Confident59 Ų5960.7 Ų60.741%0.41332%0.322SS..Hα-helixtrans-85.6-12.7-177.7-169.40000115.2H1017 R1018 I1019H1017-S1021 PolarHBondContact O-N 3.1Å; R1018-S1021 PolarHBondContact O-N 3.35Å; R1018-S1021 VanDerWaalsContact O-N 3.14Å; I1019-S1021 PolarHBondContact O-N 3.26Å
1022M60.1Low73.7Confident153 Ų15363.2 Ų63.275%0.75434%0.336SS*.Hα-helixtrans-96.4-8.2-174.3-70.3-175.97700114.5R1018 I1019R1018-M1022 HydrophobicContact CG-SD 4.42Å; R1018-M1022 WeakPolarHBondContact O-CG 3.44Å; R1018-M1022 PolarHBondContact O-N 2.89Å; I1019-M1022 PolarHBondContact O-N 3.24Å
1023A57.1Low73.7Confident40 Ų4065 Ų6533%0.33135%0.345SS..SBendtrans-91.5123.5176.600000110.1D1025 R1026A1023-D1025 PolarHBondContact O-N 2.93Å; A1023-R1026 HydrophobicContact CB-CG 4.27Å; A1023-R1026 PolarHBondContact O-N 3.08Å
1024A48.9Very low73.6Confident109 Ų10966.9 Ų66.990%0.90136%0.359SS*.THydrogen-bonded Turntrans-60-12.5-168.700000116.4
1025D52.5Low73.4Confident167 Ų16769.1 Ų69.189%0.89337%0.37SS*.THydrogen-bonded Turntrans-121.519.6-175.2-88.7-25.4000114.3A1023A1023-D1025 PolarHBondContact O-N 2.93Å
1026R58.2Low73.3Confident91 Ų9172.4 Ų72.434%0.34339%0.386SS..  trans-119.4133.3-178.7-65.7-171.4-174.41736.1113.2T971 A1023T971-R1026 VanDerWaalsContact CG2-CZ 3.5Å; A1023-R1026 HydrophobicContact CB-CG 4.27Å; A1023-R1026 PolarHBondContact O-N 3.08Å
1027E59.8Low73.3Confident189 Ų18972.6 Ų72.688%0.88339%0.387SS*.PPolyproline II helixtrans-60.6140.1165.1-69.5-175.9156.100109.9L1029E1027-L1029 PolarHBondContact O-N 3.37Å
1028K65.4Low73.2Confident152 Ų15275.6 Ų75.666%0.66140%0.403SS*.PPolyproline II helixtrans-56.4127179.2-73.8-177.8176.7-177.70110.1N1030K1028-N1030 PolarHBondContact O-N 2.64Å; K1028-N1030 VanDerWaalsContact O-N 3.11Å
1029L77.3Confident73.1Confident18 Ų1873.1 Ų73.19%0.09439%0.394CS..PPolyproline II helixtrans-58.9116.2177.3-176.670000110.3L973 V976 L1016 H1017 E1027L973-L1029 HydrophobicContact CB-CD1 4.26Å; L973-L1029 HydrophobicContact CD2-CD1 3.57Å; L973-L1029 HydrophobicContact CD2-CD2 3.5Å; L973-L1029 HydrophobicContact CD2-CG 4.15Å; L973-L1029 HydrophobicContact CG-CD1 4.07Å; V976-L1029 HydrophobicContact CG2-CD2 3.89Å; V976-L1029 HydrophobicContact CG2-CG 4.47Å; L1016-L1029 HydrophobicContact CB-CD2 4.33Å; H1017-L1029 PolarHBondContact ND1-O 3.05Å; H1017-L1029 VanDerWaalsContact ND1-O 3.13Å; E1027-L1029 PolarHBondContact O-N 3.37Å
1030N81.6Confident73.2Confident106 Ų10674.3 Ų74.357%0.56740%0.399SS*.EExtended strand (participates in β ladder)trans-73.5134.2-177.4-169.216.9000111S975 V976 K1028S975-N1030 VanDerWaalsContact CA-O 3.28Å; S975-N1030 WeakPolarHBondContact CA-O 3.4Å; S975-N1030 VanDerWaalsContact CB-O 3.25Å; S975-N1030 WeakPolarHBondContact CB-O 3.44Å; V976-N1030 PolarHBondContact N-O 2.82Å; K1028-N1030 PolarHBondContact O-N 2.64Å; K1028-N1030 VanDerWaalsContact O-N 3.11Å
1031I86Confident73.6Confident27 Ų2775.6 Ų75.614%0.13840%0.401CS..EExtended strand (participates in β ladder)trans-113.4115.2177.1-61.3169.2000108.2L886 V976 I1013 H1017 I1033L886-I1031 HydrophobicContact CD1-CD1 3.67Å; L886-I1031 HydrophobicContact CD2-CD1 3.7Å; L886-I1031 HydrophobicContact CG-CD1 4.21Å; V976-I1031 WeakPolarHBondContact O-CA 3.37Å; I1013-I1031 HydrophobicContact CG2-CD1 3.63Å; I1013-I1031 HydrophobicContact CG2-CG1 4.15Å; I1013-I1031 HydrophobicContact CG2-CG2 4.45Å; H1017-I1031 HydrophobicContact CB-CD1 3.87Å; I1031-I1033 HydrophobicContact CG2-CD1 4.47Å; I1031-I1033 HydrophobicContact CG2-CG1 4.06Å
1032D86.8Confident74Confident57 Ų5779.3 Ų79.331%0.30541%0.41SS..EExtended strand (participates in β ladder)trans-102.5115.4-177.2172.939.3000109.3V976 S977 T978 K989V976-D1032 PolarHBondContact O-N 3.08Å; S977-D1032 CarbonylContact C-O 3.54Å; S977-D1032 WeakPolarHBondContact CA-O 3.39Å; S977-D1032 PolarHBondContact OG-OD2 2.73Å; T978-D1032 PolarHBondContact N-O 2.93Å; K989-D1032 IonicContact NZ-OD2 3.8Å
1033I87.9Confident74.1Confident37 Ų3780.7 Ų80.719%0.1942%0.415CS..EExtended strand (participates in β ladder)trans-110.6104-179-52.5-179.7000108.3F887 K890 T978 T980 I1031F887-I1033 HydrophobicContact CD1-CD1 4.03Å; F887-I1033 HydrophobicContact CE1-CD1 4.3Å; K890-I1033 HydrophobicContact CB-CD1 3.82Å; K890-I1033 HydrophobicContact CD-CD1 4.2Å; K890-I1033 WeakPolarHBondContact O-CG2 3.43Å; T978-I1033 HydrophobicContact CG2-CG1 3.96Å; T978-I1033 HydrophobicContact CG2-CG2 4.38Å; T978-I1033 CarbonylContact O-C 3.58Å; T978-I1033 VanDerWaalsContact O-CA 3.26Å; T978-I1033 WeakPolarHBondContact O-CA 3.24Å; T980-I1033 HydrophobicContact CG2-CG2 3.89Å; I1031-I1033 HydrophobicContact CG2-CD1 4.47Å; I1031-I1033 HydrophobicContact CG2-CG1 4.06Å
1034S86.8Confident74.8Confident41 Ų4183 Ų8329%0.28742%0.422SS..  trans-150.4144.4-176.1176.50000110.2T978 S979 E1036 F1037T978-S1034 PolarHBondContact O-N 3.24Å; S979-S1034 WeakPolarHBondContact CA-O 3.29Å; S1034-E1036 WeakPolarHBondContact CB-O 3.28Å; S1034-E1036 PolarHBondContact O-N 2.8Å; S1034-E1036 PolarHBondContact OG-N 2.71Å; S1034-E1036 VanDerWaalsContact OG-N 3.17Å; S1034-E1036 PolarHBondContact OG-O 2.9Å; S1034-F1037 WeakPolarHBondContact O-CD1 3.37Å
1035D85.1Confident76.3Confident47 Ų4783.8 Ų83.825%0.25141%0.405SS..SBendtrans-75.9-4.6174.4-76.93.3000113T980 Q981 K1049 F1050T980-D1035 WeakPolarHBondContact CB-OD1 3.4Å; T980-D1035 PolarHBondContact N-OD1 2.87Å; T980-D1035 PolarHBondContact OG1-OD1 2.98Å; T980-D1035 PolarHBondContact OG1-OD2 3.12Å; Q981-D1035 PolarHBondContact NE2-OD2 2.83Å; D1035-K1049 WeakPolarHBondContact O-CA 3.44Å; D1035-F1050 HydrophobicContact CB-CB 4.31Å; D1035-F1050 WeakPolarHBondContact O-CD2 3.39Å; D1035-F1050 PolarHBondContact O-N 2.9Å
1036E84.1Confident77.7Confident95 Ų9576 Ų7644%0.44436%0.363SS..EExtended strand (participates in β ladder)trans-136.6120171-65.7-174.1-174.600109.7S1034 V1048 K1049S1034-E1036 WeakPolarHBondContact CB-O 3.28Å; S1034-E1036 PolarHBondContact O-N 2.8Å; S1034-E1036 PolarHBondContact OG-N 2.71Å; S1034-E1036 VanDerWaalsContact OG-N 3.17Å; S1034-E1036 PolarHBondContact OG-O 2.9Å; E1036-V1048 WeakPolarHBondContact CA-O 3.47Å; E1036-K1049 HydrophobicContact CG-CB 4.2Å; E1036-K1049 HydrophobicContact CG-CD 4.3Å; E1036-K1049 HydrophobicContact CG-CG 3.9Å; E1036-K1049 WeakPolarHBondContact OE1-CD 3.22Å; E1036-K1049 WeakPolarHBondContact OE1-CE 3.45Å; E1036-K1049 IonicContact OE1-NZ 2.66Å; E1036-K1049 PolarHBondContact OE1-NZ 3.41Å
1037F85.9Confident78.9Confident7 Ų773 Ų733%0.03136%0.356CS..EExtended strand (participates in β ladder)trans-141.9145.9171.856.1-99.8000111.9A987 L1003 S1034 V1039 V1048 F1050A987-F1037 HydrophobicContact CB-CD2 4.15Å; A987-F1037 HydrophobicContact CB-CE2 3.55Å; A987-F1037 HydrophobicContact CB-CZ 4.29Å; L1003-F1037 HydrophobicContact CD1-CE2 4.28Å; L1003-F1037 HydrophobicContact CD1-CZ 4.42Å; S1034-F1037 WeakPolarHBondContact O-CD1 3.37Å; F1037-V1039 HydrophobicContact CD2-CG2 3.73Å; F1037-V1039 HydrophobicContact CE2-CG2 3.75Å; F1037-V1048 HydrophobicContact CD2-CB 4.35Å; F1037-V1048 HydrophobicContact CE2-CB 4.01Å; F1037-V1048 HydrophobicContact CE2-CG1 4.48Å; F1037-V1048 HydrophobicContact CE2-CG2 4.21Å; F1037-V1048 HydrophobicContact CZ-CB 4.37Å; F1037-V1048 HydrophobicContact CZ-CG1 4.41Å; F1037-V1048 PolarHBondContact N-O 2.84Å; F1037-V1048 PolarHBondContact O-N 3.26Å; F1037-F1050 HydrophobicContact CD1-CE2 4.23Å; F1037-F1050 HydrophobicContact CE1-CD2 4.3Å; F1037-F1050 AromaticContact CE1-CE2 3.36Å; F1037-F1050 HydrophobicContact CE1-CE2 3.36Å; F1037-F1050 AromaticContact CE1-CZ 3.98Å; F1037-F1050 HydrophobicContact CE1-CZ 3.98Å; F1037-F1050 AromaticContact CZ-CE2 3.64Å; F1037-F1050 HydrophobicContact CZ-CE2 3.64Å; F1037-F1050 AromaticContact CZ-CZ 3.95Å; F1037-F1050 HydrophobicContact CZ-CZ 3.95Å
1038L82.7Confident80.1Confident99 Ų9964 Ų6452%0.51831%0.314SS..EExtended strand (participates in β ladder)trans-83.9136.3177.9-66.2170.8000110.6K989 C1047K989-L1038 WeakPolarHBondContact CE-O 3.44Å; L1038-C1047 HydrophobicContact CD2-CB 3.89Å
1039V82Confident81Confident0 Ų060.4 Ų60.40%030%0.298CS..EExtended strand (participates in β ladder)trans-121.4122.9175.6-174.50000108.1A987 D1001 F1037 F1041 V1046 V1048A987-V1039 HydrophobicContact CB-CG2 3.98Å; D1001-V1039 HydrophobicContact CB-CG1 3.44Å; D1001-V1039 VanDerWaalsContact CB-CG1 3.44Å; F1037-V1039 HydrophobicContact CD2-CG2 3.73Å; F1037-V1039 HydrophobicContact CE2-CG2 3.75Å; V1039-F1041 HydrophobicContact CB-CE2 3.89Å; V1039-F1041 HydrophobicContact CB-CZ 3.91Å; V1039-F1041 HydrophobicContact CG1-CD1 4.22Å; V1039-F1041 HydrophobicContact CG1-CD2 4.36Å; V1039-F1041 HydrophobicContact CG1-CE1 3.57Å; V1039-F1041 HydrophobicContact CG1-CE2 3.74Å; V1039-F1041 HydrophobicContact CG1-CZ 3.31Å; V1039-V1046 PolarHBondContact N-O 3.12Å; V1039-V1046 PolarHBondContact O-N 2.56Å; V1039-V1048 HydrophobicContact CB-CG2 4.46Å; V1039-V1048 HydrophobicContact CG2-CG2 3.68Å
1040Q80.2Confident81.4Confident54 Ų5459.9 Ų59.925%0.25230%0.295SS..EExtended strand (participates in β ladder)trans-84.8113.9-179.4-179.768.829.600109.9G1000 D1001G1000-Q1040 CarbonylContact C-O 3.44Å; G1000-Q1040 WeakPolarHBondContact CA-O 3.32Å; D1001-Q1040 PolarHBondContact N-O 3.1Å; D1001-Q1040 PolarHBondContact OD2-N 3.31Å
1041F74.9Confident81.5Confident39 Ų3957.3 Ų57.317%0.17128%0.281CS..EExtended strand (participates in β ladder)trans-111.394.3177.2-64.1-64.4000110.9V1039 Q1043 D1044 V1046 L1071V1039-F1041 HydrophobicContact CB-CE2 3.89Å; V1039-F1041 HydrophobicContact CB-CZ 3.91Å; V1039-F1041 HydrophobicContact CG1-CD1 4.22Å; V1039-F1041 HydrophobicContact CG1-CD2 4.36Å; V1039-F1041 HydrophobicContact CG1-CE1 3.57Å; V1039-F1041 HydrophobicContact CG1-CE2 3.74Å; V1039-F1041 HydrophobicContact CG1-CZ 3.31Å; F1041-Q1043 VanDerWaalsContact C-N 3.26Å; F1041-Q1043 PolarHBondContact O-N 2.87Å; F1041-D1044 PolarHBondContact N-O 2.81Å; F1041-D1044 PolarHBondContact O-N 3.34Å; F1041-V1046 HydrophobicContact CD2-CB 3.75Å; F1041-V1046 HydrophobicContact CD2-CG2 3.64Å; F1041-V1046 HydrophobicContact CE2-CB 3.74Å; F1041-V1046 HydrophobicContact CE2-CG1 4.24Å; F1041-V1046 HydrophobicContact CE2-CG2 4.07Å; F1041-L1071 HydrophobicContact CE2-CD1 4.4Å
1042K70.2Confident80.8Confident137 Ų13762.6 Ų62.660%0.59631%0.305SS*.THydrogen-bonded Turntrans51-77-179.7-66.1-165.3172.5-167.50114.4V998V998-K1042 WeakPolarHBondContact O-CE 3.45Å; V998-K1042 WeakPolarHBondContact O-CG 3.35Å
1043Q62.9Low79.7Confident183 Ų18361.1 Ų61.186%0.85530%0.303SS*.THydrogen-bonded Turntrans-113.9-15.6-178-68.4173.5-18.400113.8F1041F1041-Q1043 VanDerWaalsContact C-N 3.26Å; F1041-Q1043 PolarHBondContact O-N 2.87Å
1044D72.5Confident78Confident89 Ų8964.3 Ų64.348%0.47633%0.328SS..EExtended strand (participates in β ladder)trans-115.9134.4-176-68.9-42.1000112.9F1041 V1046F1041-D1044 PolarHBondContact N-O 2.81Å; F1041-D1044 PolarHBondContact O-N 3.34Å; D1044-V1046 HydrophobicContact CB-CG2 4.46Å
1045K79.6Confident76.2Confident124 Ų12467.4 Ų67.454%0.53935%0.348SS..EExtended strand (participates in β ladder)trans-86.7116.7165.6-76.1-177.5179.7-176.90109.3
1046V81.7Confident74.5Confident5 Ų574.4 Ų74.43%0.0338%0.376CS..EExtended strand (participates in β ladder)trans-113.1127.4178.2177.70000109V1039 F1041 D1044 L1071V1039-V1046 PolarHBondContact N-O 3.12Å; V1039-V1046 PolarHBondContact O-N 2.56Å; F1041-V1046 HydrophobicContact CD2-CB 3.75Å; F1041-V1046 HydrophobicContact CD2-CG2 3.64Å; F1041-V1046 HydrophobicContact CE2-CB 3.74Å; F1041-V1046 HydrophobicContact CE2-CG1 4.24Å; F1041-V1046 HydrophobicContact CE2-CG2 4.07Å; D1044-V1046 HydrophobicContact CB-CG2 4.46Å; V1046-L1071 HydrophobicContact CG1-CB 4.33Å; V1046-L1071 HydrophobicContact CG1-CD1 3.94Å; V1046-L1071 HydrophobicContact CG1-CG 3.87Å
1047C83.3Confident72.6Confident28 Ų2877.8 Ų77.819%0.18940%0.397CS..EExtended strand (participates in β ladder)trans-80.2129.4171.7-171.70000109.5L1038 R1069 L1070 L1071L1038-C1047 HydrophobicContact CD2-CB 3.89Å; C1047-R1069 PolarHBondContact N-O 2.83Å; C1047-L1070 HydrophobicContact CB-CD1 4.1Å; C1047-L1070 WeakPolarHBondContact O-CA 3.47Å; C1047-L1071 PolarHBondContact O-N 2.9Å
1048V84.3Confident70.8Confident0 Ų080.3 Ų80.30%043%0.425CS..EExtended strand (participates in β ladder)trans-101.1115.6169.1-173.60000107.3L1003 E1036 F1037 V1039 F1050 L1071 V1073L1003-V1048 HydrophobicContact CD2-CG2 4.11Å; E1036-V1048 WeakPolarHBondContact CA-O 3.47Å; F1037-V1048 HydrophobicContact CD2-CB 4.35Å; F1037-V1048 HydrophobicContact CE2-CB 4.01Å; F1037-V1048 HydrophobicContact CE2-CG1 4.48Å; F1037-V1048 HydrophobicContact CE2-CG2 4.21Å; F1037-V1048 HydrophobicContact CZ-CB 4.37Å; F1037-V1048 HydrophobicContact CZ-CG1 4.41Å; F1037-V1048 PolarHBondContact N-O 2.84Å; F1037-V1048 PolarHBondContact O-N 3.26Å; V1039-V1048 HydrophobicContact CB-CG2 4.46Å; V1039-V1048 HydrophobicContact CG2-CG2 3.68Å; V1048-F1050 HydrophobicContact CB-CE2 4.4Å; V1048-F1050 HydrophobicContact CG1-CD2 4.36Å; V1048-F1050 HydrophobicContact CG1-CE2 3.59Å; V1048-F1050 HydrophobicContact CG1-CZ 3.91Å; V1048-L1071 WeakPolarHBondContact CA-O 3.48Å; V1048-L1071 HydrophobicContact CG2-CB 4.31Å; V1048-L1071 HydrophobicContact CG2-CD1 4.36Å; V1048-V1073 HydrophobicContact CG1-CG2 3.96Å
1049K85.7Confident69.4Low75 Ų7583 Ų8333%0.32644%0.44SS..EExtended strand (participates in β ladder)trans-113.8128.4-178.6179.3167.4-178.1143.10110.5D1035 E1036 I1051 L1070 L1071 E1072 V1073D1035-K1049 WeakPolarHBondContact O-CA 3.44Å; E1036-K1049 HydrophobicContact CG-CB 4.2Å; E1036-K1049 HydrophobicContact CG-CD 4.3Å; E1036-K1049 HydrophobicContact CG-CG 3.9Å; E1036-K1049 WeakPolarHBondContact OE1-CD 3.22Å; E1036-K1049 WeakPolarHBondContact OE1-CE 3.45Å; E1036-K1049 IonicContact OE1-NZ 2.66Å; E1036-K1049 PolarHBondContact OE1-NZ 3.41Å; K1049-I1051 HydrophobicContact CG-CG2 4.43Å; K1049-L1070 HydrophobicContact CB-CD1 3.88Å; K1049-L1071 PolarHBondContact N-O 2.9Å; K1049-E1072 WeakPolarHBondContact O-CA 3.19Å; K1049-V1073 PolarHBondContact O-N 3.03Å
1050F85.4Confident68.4Low7 Ų787 Ų873%0.03147%0.468CS..EExtended strand (participates in β ladder)trans-99.2127.2178.5-65.5-100.5000109.6Q981 D983 F985 D1035 F1037 V1048 V1073 V1075Q981-F1050 PolarHBondContact NE2-O 3.02Å; D983-F1050 WeakPolarHBondContact OD1-CE1 3.35Å; D983-F1050 WeakPolarHBondContact OD2-CD1 3.33Å; F985-F1050 HydrophobicContact CB-CE1 3.99Å; F985-F1050 HydrophobicContact CB-CZ 3.96Å; F985-F1050 HydrophobicContact CG-CE1 4.34Å; D1035-F1050 HydrophobicContact CB-CB 4.31Å; D1035-F1050 WeakPolarHBondContact O-CD2 3.39Å; D1035-F1050 PolarHBondContact O-N 2.9Å; F1037-F1050 HydrophobicContact CD1-CE2 4.23Å; F1037-F1050 HydrophobicContact CE1-CD2 4.3Å; F1037-F1050 AromaticContact CE1-CE2 3.36Å; F1037-F1050 HydrophobicContact CE1-CE2 3.36Å; F1037-F1050 AromaticContact CE1-CZ 3.98Å; F1037-F1050 HydrophobicContact CE1-CZ 3.98Å; F1037-F1050 AromaticContact CZ-CE2 3.64Å; F1037-F1050 HydrophobicContact CZ-CE2 3.64Å; F1037-F1050 AromaticContact CZ-CZ 3.95Å; F1037-F1050 HydrophobicContact CZ-CZ 3.95Å; V1048-F1050 HydrophobicContact CB-CE2 4.4Å; V1048-F1050 HydrophobicContact CG1-CD2 4.36Å; V1048-F1050 HydrophobicContact CG1-CE2 3.59Å; V1048-F1050 HydrophobicContact CG1-CZ 3.91Å; F1050-V1073 WeakPolarHBondContact CA-O 3.33Å; F1050-V1073 HydrophobicContact CD1-CB 3.63Å; F1050-V1073 HydrophobicContact CD1-CG1 3.78Å; F1050-V1073 HydrophobicContact CD1-CG2 4.23Å; F1050-V1073 HydrophobicContact CE1-CB 3.75Å; F1050-V1073 HydrophobicContact CE1-CG1 3.76Å; F1050-V1073 HydrophobicContact CE1-CG2 3.88Å; F1050-V1073 HydrophobicContact CG-CB 4.26Å; F1050-V1073 HydrophobicContact CZ-CB 4.46Å; F1050-V1073 HydrophobicContact CZ-CG2 4.16Å; F1050-V1075 HydrophobicContact CD1-CG2 4.09Å
1051I83.2Confident67.9Low53 Ų5386.9 Ų86.927%0.27247%0.47SS..EExtended strand (participates in β ladder)trans-130.1142179.443.7157.5000110.7K1049 E1072 V1073 S1074 V1075K1049-I1051 HydrophobicContact CG-CG2 4.43Å; I1051-E1072 HydrophobicContact CD1-CG 3.39Å; I1051-E1072 WeakPolarHBondContact CD1-OE1 3.4Å; I1051-E1072 HydrophobicContact CG1-CG 3.56Å; I1051-V1073 PolarHBondContact N-O 2.97Å; I1051-S1074 WeakPolarHBondContact O-CA 2.94Å; I1051-V1075 PolarHBondContact O-N 2.92Å
1052Q72.2Confident67.9Low138 Ų13887.1 Ų87.165%0.64548%0.477SS*.EExtended strand (participates in β ladder)trans-79121.5172.4-69.9179.9-1.300109.6
1053G62.9Low68.4Low25 Ų2581.3 Ų81.326%0.25845%0.453SS..EExtended strand (participates in β ladder)trans-113.2146.4179.500000112.6V1075G1053-V1075 PolarHBondContact N-O 3.05Å; G1053-V1075 VanDerWaalsContact N-O 3.15Å
1054S53.4Low69.2Low104 Ų10479 Ų7973%0.72744%0.44SS*.  trans-71.3137.7168.241.30000110.4K1056S1054-K1056 PolarHBondContact O-N 3.39Å
1055P47.8Very low69.5Low106 Ų10678.5 Ų78.569%0.68843%0.432SS*.  trans-70.9102.6-168.726.8-32000110.6
1056K48.8Very low69.4Low195 Ų19578.9 Ų78.985%0.84843%0.434SS*.  trans-110.2108.5161.3-73.2-168.2177.1-176.70108.4S1054S1054-K1056 PolarHBondContact O-N 3.39Å
1057N44.4Very low69.1Low166 Ų16682.7 Ų82.789%0.88845%0.454SS*.SBendtrans62.693.4176.3-67.7-5.5000116.6
1058G48.7Very low68.6Low59 Ų5987.2 Ų87.261%0.60848%0.476SS*.  trans92.1131164.300000114.2S1060G1058-S1060 PolarHBondContact O-N 2.92Å
1059N53.5Low68.3Low156 Ų15696.4 Ų96.483%0.83451%0.511SS*.SBendtrans-66.523.8-178.9-102.11.4000115.1
1060S60.6Low68.1Low85 Ų8594.7 Ų94.759%0.59451%0.505SS*.  trans-107.8129.4-171.5590000112.5G1058 S1062G1058-S1060 PolarHBondContact O-N 2.92Å; S1060-S1062 PolarHBondContact O-N 3.36Å
1061V70.9Confident68Low50 Ų5094.5 Ų94.530%0.30351%0.505SS..  trans-56.1127.9169.4-176.90000109.4D983 F985 V1073 V1075D983-V1061 HydrophobicContact CB-CG1 4.05Å; D983-V1061 HydrophobicContact CB-CG2 4.18Å; F985-V1061 HydrophobicContact CD2-CG1 4.3Å; F985-V1061 HydrophobicContact CE2-CB 4.37Å; F985-V1061 HydrophobicContact CE2-CG1 3.6Å; F985-V1061 HydrophobicContact CZ-CG1 4.39Å; V1061-V1073 HydrophobicContact CG1-CG1 3.49Å; V1061-V1073 VanDerWaalsContact CG1-CG1 3.49Å; V1061-V1075 HydrophobicContact CG1-CG2 4.23Å; V1061-V1075 HydrophobicContact CG2-CG1 4.28Å
1062S74.9Confident68Low44 Ų4493.7 Ų93.731%0.30850%0.5SS..EExtended strand (participates in β ladder)trans-124.5133.4-178.579.90000111.8S1060 V1073 S1074S1060-S1062 PolarHBondContact O-N 3.36Å; S1062-V1073 WeakPolarHBondContact O-CA 3.45Å; S1062-S1074 PolarHBondContact N-O 2.96Å; S1062-S1074 PolarHBondContact O-N 3.04Å
1063C79.9Confident68.5Low15 Ų1587.1 Ų87.110%0.10147%0.469CS..EExtended strand (participates in β ladder)trans-104.5121.9176.5-179.30000109.2F985 E1072 V1073F985-C1063 HydrophobicContact CE1-CB 4.1Å; F985-C1063 HydrophobicContact CZ-CB 4.19Å; C1063-E1072 WeakPolarHBondContact CA-O 3.35Å; C1063-V1073 HydrophobicContact CB-CG2 4.13Å
1064K80.3Confident69.4Low134 Ų13487.7 Ų87.758%0.58347%0.469SS*.EExtended strand (participates in β ladder)trans-125.8140.3177.5-68.2-178.1-177.1175.20110.6E1072K1064-E1072 PolarHBondContact N-O 2.62Å; K1064-E1072 PolarHBondContact O-N 3.28Å
1065R79Confident70.6Confident80 Ų8082.9 Ų82.930%0.30244%0.435SS..EExtended strand (participates in β ladder)trans-81.7119172.8-166.6171.9-171.3179.62.6109.2R937 N1067 N1068 L1071R937-R1065 PolarHBondContact O-NH1 3.05Å; R1065-N1067 VanDerWaalsContact CG-O 3.25Å; R1065-N1067 WeakPolarHBondContact CG-O 3.29Å; R1065-N1067 PolarHBondContact NE-O 3.44Å; R1065-N1068 PolarHBondContact NH2-O 3.21Å; R1065-L1071 HydrophobicContact CB-CD2 3.8Å; R1065-L1071 HydrophobicContact CG-CD2 4.06Å
1066K77.4Confident71.8Confident131 Ų13179.6 Ų79.657%0.5741%0.414SS*.EExtended strand (participates in β ladder)trans-87.2-40.1178.7-76.6-75-169.1168.20111.9L1070 E1072K1066-L1070 HydrophobicContact CB-CD2 4.2Å; K1066-L1070 HydrophobicContact CB-CG 4.49Å; K1066-L1070 PolarHBondContact N-O 2.66Å; K1066-L1070 VanDerWaalsContact N-O 3.08Å; K1066-E1072 WeakPolarHBondContact CE-OE1 3.22Å; K1066-E1072 VanDerWaalsContact CE-OE2 3.23Å; K1066-E1072 WeakPolarHBondContact CE-OE2 3.19Å; K1066-E1072 HydrophobicContact CG-CB 3.86Å; K1066-E1072 IonicContact NZ-OE1 2.88Å; K1066-E1072 PolarHBondContact NZ-OE1 3.28Å
1067N75.6Confident72.4Confident85 Ų8573.2 Ų73.246%0.45540%0.397SS..EExtended strand (participates in β ladder)trans-154.5-175.4175.463.635000110.3R1065 R1069 L1070R1065-N1067 VanDerWaalsContact CG-O 3.25Å; R1065-N1067 WeakPolarHBondContact CG-O 3.29Å; R1065-N1067 PolarHBondContact NE-O 3.44Å; N1067-R1069 PolarHBondContact O-N 3.26Å; N1067-R1069 VanDerWaalsContact O-N 3.12Å; N1067-R1069 PolarHBondContact OD1-N 2.81Å; N1067-L1070 PolarHBondContact O-N 2.77Å; N1067-L1070 VanDerWaalsContact OD1-CB 3.25Å; N1067-L1070 WeakPolarHBondContact OD1-CB 3.47Å; N1067-L1070 PolarHBondContact OD1-N 2.71Å
1068N71.9Confident72.9Confident124 Ų12469 Ų6966%0.66338%0.381SS*.THydrogen-bonded Turntrans-62.8-21-175.9-77.1-8.2000114.2R1065R1065-N1068 PolarHBondContact NH2-O 3.21Å
1069R77.4Confident72.6Confident192 Ų19275.4 Ų75.473%0.72542%0.416SS*.THydrogen-bonded Turntrans-116.32.5-175.9-64.2-175178.4176.8-0114.7C1047 N1067C1047-R1069 PolarHBondContact N-O 2.83Å; N1067-R1069 PolarHBondContact O-N 3.26Å; N1067-R1069 VanDerWaalsContact O-N 3.12Å; N1067-R1069 PolarHBondContact OD1-N 2.81Å
1070L81.8Confident73.6Confident40 Ų4071.4 Ų71.421%0.20940%0.395CS..EExtended strand (participates in β ladder)trans-135.8122.5-175.3-173.866.5000112.8C1047 K1049 K1066 N1067C1047-L1070 HydrophobicContact CB-CD1 4.1Å; C1047-L1070 WeakPolarHBondContact O-CA 3.47Å; K1049-L1070 HydrophobicContact CB-CD1 3.88Å; K1066-L1070 HydrophobicContact CB-CD2 4.2Å; K1066-L1070 HydrophobicContact CB-CG 4.49Å; K1066-L1070 PolarHBondContact N-O 2.66Å; K1066-L1070 VanDerWaalsContact N-O 3.08Å; N1067-L1070 PolarHBondContact O-N 2.77Å; N1067-L1070 VanDerWaalsContact OD1-CB 3.25Å; N1067-L1070 WeakPolarHBondContact OD1-CB 3.47Å; N1067-L1070 PolarHBondContact OD1-N 2.71Å
1071L83.1Confident74.3Confident3 Ų370.6 Ų70.62%0.01639%0.385CS..EExtended strand (participates in β ladder)trans-104.8124.3164.5-75.3167.8000108.8L1003 F1041 V1046 C1047 V1048 K1049 R1065L1003-L1071 HydrophobicContact CD2-CD1 4.29Å; F1041-L1071 HydrophobicContact CE2-CD1 4.4Å; V1046-L1071 HydrophobicContact CG1-CB 4.33Å; V1046-L1071 HydrophobicContact CG1-CD1 3.94Å; V1046-L1071 HydrophobicContact CG1-CG 3.87Å; C1047-L1071 PolarHBondContact O-N 2.9Å; V1048-L1071 WeakPolarHBondContact CA-O 3.48Å; V1048-L1071 HydrophobicContact CG2-CB 4.31Å; V1048-L1071 HydrophobicContact CG2-CD1 4.36Å; K1049-L1071 PolarHBondContact N-O 2.9Å; R1065-L1071 HydrophobicContact CB-CD2 3.8Å; R1065-L1071 HydrophobicContact CG-CD2 4.06Å
1072E84.1Confident74.5Confident36 Ų3671.8 Ų71.817%0.16839%0.389CS..EExtended strand (participates in β ladder)trans-108.3123-179.4-168.4176.59900109K1049 I1051 C1063 K1064 K1066K1049-E1072 WeakPolarHBondContact O-CA 3.19Å; I1051-E1072 HydrophobicContact CD1-CG 3.39Å; I1051-E1072 WeakPolarHBondContact CD1-OE1 3.4Å; I1051-E1072 HydrophobicContact CG1-CG 3.56Å; C1063-E1072 WeakPolarHBondContact CA-O 3.35Å; K1064-E1072 PolarHBondContact N-O 2.62Å; K1064-E1072 PolarHBondContact O-N 3.28Å; K1066-E1072 WeakPolarHBondContact CE-OE1 3.22Å; K1066-E1072 VanDerWaalsContact CE-OE2 3.23Å; K1066-E1072 WeakPolarHBondContact CE-OE2 3.19Å; K1066-E1072 HydrophobicContact CG-CB 3.86Å; K1066-E1072 IonicContact NZ-OE1 2.88Å; K1066-E1072 PolarHBondContact NZ-OE1 3.28Å
1073V83.2Confident74.4Confident0 Ų073.4 Ų73.40%039%0.394CS..EExtended strand (participates in β ladder)trans-104.9112.4176.5-175.80000108F985 V1048 K1049 F1050 I1051 V1061 S1062 C1063 V1075F985-V1073 HydrophobicContact CD2-CG1 4.39Å; F985-V1073 HydrophobicContact CE2-CG1 4.17Å; F985-V1073 HydrophobicContact CZ-CG1 4.36Å; V1048-V1073 HydrophobicContact CG1-CG2 3.96Å; K1049-V1073 PolarHBondContact O-N 3.03Å; F1050-V1073 WeakPolarHBondContact CA-O 3.33Å; F1050-V1073 HydrophobicContact CD1-CB 3.63Å; F1050-V1073 HydrophobicContact CD1-CG1 3.78Å; F1050-V1073 HydrophobicContact CD1-CG2 4.23Å; F1050-V1073 HydrophobicContact CE1-CB 3.75Å; F1050-V1073 HydrophobicContact CE1-CG1 3.76Å; F1050-V1073 HydrophobicContact CE1-CG2 3.88Å; F1050-V1073 HydrophobicContact CG-CB 4.26Å; F1050-V1073 HydrophobicContact CZ-CB 4.46Å; F1050-V1073 HydrophobicContact CZ-CG2 4.16Å; I1051-V1073 PolarHBondContact N-O 2.97Å; V1061-V1073 HydrophobicContact CG1-CG1 3.49Å; V1061-V1073 VanDerWaalsContact CG1-CG1 3.49Å; S1062-V1073 WeakPolarHBondContact O-CA 3.45Å; C1063-V1073 HydrophobicContact CB-CG2 4.13Å; V1073-V1075 HydrophobicContact CG1-CG2 4.14Å
1074S81Confident74.1Confident36 Ų3677.1 Ų77.125%0.25241%0.412SS..EExtended strand (participates in β ladder)trans-86.6113.7174.2-53.20000109.2I1051 S1062I1051-S1074 WeakPolarHBondContact O-CA 2.94Å; S1062-S1074 PolarHBondContact N-O 2.96Å; S1062-S1074 PolarHBondContact O-N 3.04Å
1075V79.3Confident73.7Confident3 Ų373.3 Ų73.32%0.01840%0.401CS..EExtended strand (participates in β ladder)trans-102.8134.4177.4-170.10000108.7Q981 T982 D983 F1050 I1051 G1053 V1061 V1073Q981-V1075 HydrophobicContact CB-CB 4.37Å; Q981-V1075 HydrophobicContact CB-CG1 4.13Å; Q981-V1075 HydrophobicContact CB-CG2 4.16Å; Q981-V1075 VanDerWaalsContact OE1-CB 3.22Å; Q981-V1075 VanDerWaalsContact OE1-CG2 3.32Å; T982-V1075 VanDerWaalsContact OG1-CG1 3.25Å; T982-V1075 WeakPolarHBondContact OG1-CG1 3.37Å; D983-V1075 HydrophobicContact CB-CG1 4.37Å; D983-V1075 HydrophobicContact CB-CG2 4.04Å; F1050-V1075 HydrophobicContact CD1-CG2 4.09Å; I1051-V1075 PolarHBondContact O-N 2.92Å; G1053-V1075 PolarHBondContact N-O 3.05Å; G1053-V1075 VanDerWaalsContact N-O 3.15Å; V1061-V1075 HydrophobicContact CG1-CG2 4.23Å; V1061-V1075 HydrophobicContact CG2-CG1 4.28Å; V1073-V1075 HydrophobicContact CG1-CG2 4.14Å
1076P72.2Confident73.3Confident38 Ų3872.8 Ų72.825%0.24741%0.408CS..EExtended strand (participates in β ladder)trans-60.1137.8174-19.630.8000110.9S1078P1076-S1078 PolarHBondContact O-N 3.17Å
1077A61.1Low73Confident60 Ų6068.3 Ų68.350%0.49640%0.396SS..PPolyproline II helixtrans-60.2121.6172.100000109.9S1079A1077-S1079 PolarHBondContact O-N 2.66Å
1078S55.5Low72.8Confident78 Ų7866.9 Ų66.955%0.54539%0.391SS..PPolyproline II helixtrans-67.2122.7171.839.80000109.8P1076P1076-S1078 PolarHBondContact O-N 3.17Å
1079S42.6Very low72.8Confident193 Ų19361.7 Ų61.7100%1.3537%0.366SS*.  trans-68.20172.4-35.70000112A1077A1077-S1079 PolarHBondContact O-N 2.66Å

Retrieved 1,079 of 1,079 residues in 1492.1 ms (Link to these results)

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