A0A077Z7M6_TRITR Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A077Z7M6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 512 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
1M39.4Very low67.6Low221 Ų221107.3 Ų107.3100%1.08957%0.566SS**  0120.70-74.3169169.900107.7T3M1-T3 PolarHBondContact O-N 2.7Å
2K35.8Very low69.7Low205 Ų20599.5 Ų99.589%0.89153%0.525SS*.  trans-56.4126.2165.8-78178.9175.1177.70106A4K2-A4 VanDerWaalsContact C-N 3.31Å; K2-A4 PolarHBondContact O-N 2.89Å
3T37.9Very low71.3Confident139 Ų13991.9 Ų91.985%0.85349%0.485SS*.  trans-53.7103167.132.90000106.1M1 G5M1-T3 PolarHBondContact O-N 2.7Å; T3-G5 PolarHBondContact O-N 2.84Å
4A54.4Low72.7Confident68 Ų6887.6 Ų87.656%0.56246%0.461SS*.  trans-58.2112.417800000105.5K2 R6 W44K2-A4 VanDerWaalsContact C-N 3.31Å; K2-A4 PolarHBondContact O-N 2.89Å; A4-R6 PolarHBondContact O-N 2.71Å; A4-W44 HydrophobicContact CB-CZ3 4.37Å
5G61.9Low74Confident64 Ų6482 Ų8266%0.6643%0.431SS*.PPolyproline II helixtrans-50.1137.3174.700000108.2T3 I7T3-G5 PolarHBondContact O-N 2.84Å; G5-I7 PolarHBondContact O-N 3.28Å
6R76.6Confident75.1Confident246 Ų24685.6 Ų85.693%0.92844%0.437SS*.PPolyproline II helixtrans-50.5120.9-179.7-174.4176.9179.9175.2-0108.5A4 D8A4-R6 PolarHBondContact O-N 2.71Å; R6-D8 PolarHBondContact O-N 3.38Å
7I88.6Confident76.2Confident47 Ų4784.5 Ų84.524%0.24144%0.435CS..PPolyproline II helixtrans-63121.3-179.2-62.8173.3000108G5 Y9 I12 V41 R45G5-I7 PolarHBondContact O-N 3.28Å; I7-Y9 HydrophobicContact CB-CE1 4.19Å; I7-Y9 HydrophobicContact CB-CE2 4.15Å; I7-Y9 HydrophobicContact CG2-CD1 3.79Å; I7-Y9 HydrophobicContact CG2-CD2 4.43Å; I7-Y9 HydrophobicContact CG2-CE1 3.57Å; I7-Y9 HydrophobicContact CG2-CE2 4.26Å; I7-Y9 HydrophobicContact CG2-CG 4.21Å; I7-Y9 PolarHBondContact O-N 3.49Å; I7-I12 HydrophobicContact CG2-CD1 3.64Å; I7-V41 HydrophobicContact CD1-CG1 4.3Å; I7-R45 HydrophobicContact CD1-CB 3.9Å
8D89.1Confident77.2Confident88 Ų8884.1 Ų84.147%0.47144%0.441SS..  trans-82.590.2171-177.5-1000109.8R6 S10 Q11 I12R6-D8 PolarHBondContact O-N 3.38Å; D8-S10 PolarHBondContact O-N 3.25Å; D8-S10 VanDerWaalsContact O-N 3.15Å; D8-S10 WeakPolarHBondContact OD1-CA 3.45Å; D8-S10 VanDerWaalsContact OD1-CB 3.24Å; D8-S10 WeakPolarHBondContact OD1-CB 3.3Å; D8-S10 PolarHBondContact OD1-N 2.71Å; D8-S10 PolarHBondContact OD1-OG 3.28Å; D8-S10 PolarHBondContact OD2-OG 3.3Å; D8-Q11 PolarHBondContact O-N 3.39Å; D8-Q11 VanDerWaalsContact O-N 3.12Å; D8-Q11 PolarHBondContact OD1-N 2.91Å; D8-Q11 WeakPolarHBondContact OD2-CG 3.34Å; D8-I12 PolarHBondContact O-N 3.21Å
9Y89.1Confident78.1Confident37 Ų3786.9 Ų86.915%0.14545%0.452CS..THydrogen-bonded Turntrans-62.7-16.1177.4-64.7-69.1000113.3I7 I12 R45 E215I7-Y9 HydrophobicContact CB-CE1 4.19Å; I7-Y9 HydrophobicContact CB-CE2 4.15Å; I7-Y9 HydrophobicContact CG2-CD1 3.79Å; I7-Y9 HydrophobicContact CG2-CD2 4.43Å; I7-Y9 HydrophobicContact CG2-CE1 3.57Å; I7-Y9 HydrophobicContact CG2-CE2 4.26Å; I7-Y9 HydrophobicContact CG2-CG 4.21Å; I7-Y9 PolarHBondContact O-N 3.49Å; Y9-I12 HydrophobicContact CD1-CG2 4.41Å; Y9-R45 VanDerWaalsContact CE1-NH1 3.34Å; Y9-R45 PolarHBondContact OH-NH1 3.29Å; Y9-E215 HydrophobicContact CD1-CB 3.88Å; Y9-E215 HydrophobicContact CD1-CG 4.35Å; Y9-E215 HydrophobicContact CD2-CB 4.26Å; Y9-E215 HydrophobicContact CD2-CG 3.83Å; Y9-E215 HydrophobicContact CE1-CB 4.4Å; Y9-E215 HydrophobicContact CE2-CG 4.28Å; Y9-E215 HydrophobicContact CG-CB 3.81Å; Y9-E215 HydrophobicContact CG-CG 3.88Å
10S82.9Confident79Confident36 Ų3683.5 Ų83.525%0.25243%0.434SS..THydrogen-bonded Turntrans-72.6-33174.582.40000112.4D8 Y478D8-S10 PolarHBondContact O-N 3.25Å; D8-S10 VanDerWaalsContact O-N 3.15Å; D8-S10 WeakPolarHBondContact OD1-CA 3.45Å; D8-S10 VanDerWaalsContact OD1-CB 3.24Å; D8-S10 WeakPolarHBondContact OD1-CB 3.3Å; D8-S10 PolarHBondContact OD1-N 2.71Å; D8-S10 PolarHBondContact OD1-OG 3.28Å; D8-S10 PolarHBondContact OD2-OG 3.3Å; S10-Y478 WeakPolarHBondContact O-CE1 3.16Å; S10-Y478 PolarHBondContact O-OH 3.15Å
11Q88.2Confident79.7Confident29 Ų2984.1 Ų84.114%0.13644%0.435CS..THydrogen-bonded Turntrans-106-11.2-176.2-58.1-60.2-55.800113.5D8 G13 K14D8-Q11 PolarHBondContact O-N 3.39Å; D8-Q11 VanDerWaalsContact O-N 3.12Å; D8-Q11 PolarHBondContact OD1-N 2.91Å; D8-Q11 WeakPolarHBondContact OD2-CG 3.34Å; Q11-G13 VanDerWaalsContact C-N 3.28Å; Q11-G13 PolarHBondContact O-N 3.02Å; Q11-K14 WeakPolarHBondContact O-CB 3.47Å; Q11-K14 PolarHBondContact O-N 3.25Å; Q11-K14 VanDerWaalsContact OE1-NZ 3.16Å
12I92.3Very high82.5Confident14 Ų1478.2 Ų78.27%0.07241%0.408CS..THydrogen-bonded Turntrans-60.2-36.8-171.9-163.3167.2000113.3I7 D8 Y9 A37 R40 V41 T213I7-I12 HydrophobicContact CG2-CD1 3.64Å; D8-I12 PolarHBondContact O-N 3.21Å; Y9-I12 HydrophobicContact CD1-CG2 4.41Å; I12-A37 HydrophobicContact CG1-CB 4.38Å; I12-A37 HydrophobicContact CG2-CB 4.14Å; I12-R40 HydrophobicContact CD1-CB 4.15Å; I12-R40 HydrophobicContact CG1-CB 3.69Å; I12-R40 WeakPolarHBondContact O-CD 3.44Å; I12-R40 PolarHBondContact O-NH1 2.96Å; I12-V41 HydrophobicContact CD1-CB 4.35Å; I12-V41 HydrophobicContact CD1-CG2 3.37Å; I12-T213 WeakPolarHBondContact CG2-O 3.27Å
13G90.7Very high85.4Confident1 Ų170.9 Ų70.91%0.0138%0.378CS..THydrogen-bonded Turntrans-85.9-3178.200000115Q11 V15 R24 N34Q11-G13 VanDerWaalsContact C-N 3.28Å; Q11-G13 PolarHBondContact O-N 3.02Å; G13-V15 PolarHBondContact O-N 3.37Å; G13-R24 PolarHBondContact O-NH1 3.14Å; G13-N34 WeakPolarHBondContact CA-ND2 3.27Å
14K90.9Very high88Confident32 Ų3265.1 Ų65.114%0.13934%0.34CS..  trans-66127.9-172.9-173168-174.8172.50111.3Q11 R16 R40 Y478Q11-K14 WeakPolarHBondContact O-CB 3.47Å; Q11-K14 PolarHBondContact O-N 3.25Å; Q11-K14 VanDerWaalsContact OE1-NZ 3.16Å; K14-R16 HydrophobicContact CG-CG 4.49Å; K14-R16 PolarHBondContact O-N 2.93Å; K14-R40 PolarHBondContact O-NH1 3.09Å; K14-R40 PolarHBondContact O-NH2 3.17Å; K14-Y478 HydrophobicContact CB-CE2 4.38Å; K14-Y478 HydrophobicContact CG-CE2 4.27Å
15V92.9Very high89.9Confident3 Ų368.8 Ų68.82%0.01834%0.344CS..  trans-80.3115.1175.8-177.20000108.6G13 D20 E21 G483 M497G13-V15 PolarHBondContact O-N 3.37Å; V15-D20 HydrophobicContact CB-CB 4.5Å; V15-D20 HydrophobicContact CG1-CB 3.96Å; V15-E21 HydrophobicContact CG1-CB 3.76Å; V15-E21 HydrophobicContact CG1-CG 4.46Å; V15-G483 PolarHBondContact N-O 3.24Å; V15-M497 HydrophobicContact CB-CG 4.33Å; V15-M497 HydrophobicContact CG1-CG 3.77Å; V15-M497 HydrophobicContact CG1-SD 3.97Å
16R91.9Very high91.4Very high140 Ų14069.4 Ų69.453%0.52833%0.329SS..  trans-108.5-25-178.2-57.7177.2-179.7179.1-2.1112.5K14 D20K14-R16 HydrophobicContact CG-CG 4.49Å; K14-R16 PolarHBondContact O-N 2.93Å; R16-D20 WeakPolarHBondContact CA-OD2 3.5Å; R16-D20 WeakPolarHBondContact CB-OD2 3.31Å; R16-D20 PolarHBondContact N-OD2 2.88Å
17T93.8Very high92.3Very high66 Ų6657.7 Ų57.741%0.40529%0.286SS..SBendtrans-137.9163.6-176.768.20000110.8Q19 D20 E21T17-Q19 PolarHBondContact O-N 2.96Å; T17-Q19 PolarHBondContact OG1-N 2.88Å; T17-D20 PolarHBondContact N-OD2 2.71Å; T17-D20 WeakPolarHBondContact O-CB 3.37Å; T17-D20 PolarHBondContact O-N 3.24Å; T17-D20 VanDerWaalsContact O-N 3.12Å; T17-D20 PolarHBondContact OG1-N 3.34Å; T17-D20 VanDerWaalsContact OG1-N 3.1Å; T17-E21 PolarHBondContact O-N 3.27Å; T17-E21 VanDerWaalsContact O-N 3.12Å
18S92.6Very high92.5Very high77 Ų7758 Ų5854%0.53828%0.284SS..Hα-helixtrans-61.8-26.5171.3-51.10000112.8E21 N22S18-E21 PolarHBondContact O-N 3.41Å; S18-N22 VanDerWaalsContact O-CG 3.31Å; S18-N22 PolarHBondContact O-N 3.14Å; S18-N22 PolarHBondContact O-ND2 3.33Å
19Q95.6Very high92.6Very high138 Ų13859.4 Ų59.465%0.64529%0.286SS*.Hα-helixtrans-68-42.9173.2-174.9-179.1700111.4T17 E21 N22 I23T17-Q19 PolarHBondContact O-N 2.96Å; T17-Q19 PolarHBondContact OG1-N 2.88Å; Q19-E21 VanDerWaalsContact C-N 3.27Å; Q19-E21 PolarHBondContact O-N 3.3Å; Q19-N22 PolarHBondContact O-N 3.05Å; Q19-I23 HydrophobicContact CG-CD1 4.03Å; Q19-I23 WeakPolarHBondContact O-CG1 3.47Å; Q19-I23 PolarHBondContact O-N 3.3Å
20D96.6Very high92.8Very high19 Ų1960.7 Ų60.710%0.10230%0.295CS..Hα-helixtrans-58.3-43.7174-72.7-21.8000111V15 R16 T17 N22 I23 R24 L36 R40V15-D20 HydrophobicContact CB-CB 4.5Å; V15-D20 HydrophobicContact CG1-CB 3.96Å; R16-D20 WeakPolarHBondContact CA-OD2 3.5Å; R16-D20 WeakPolarHBondContact CB-OD2 3.31Å; R16-D20 PolarHBondContact N-OD2 2.88Å; T17-D20 PolarHBondContact N-OD2 2.71Å; T17-D20 WeakPolarHBondContact O-CB 3.37Å; T17-D20 PolarHBondContact O-N 3.24Å; T17-D20 VanDerWaalsContact O-N 3.12Å; T17-D20 PolarHBondContact OG1-N 3.34Å; T17-D20 VanDerWaalsContact OG1-N 3.1Å; D20-N22 PolarHBondContact O-N 2.89Å; D20-I23 PolarHBondContact O-N 2.88Å; D20-R24 VanDerWaalsContact O-CB 3.28Å; D20-R24 WeakPolarHBondContact O-CB 3.3Å; D20-R24 PolarHBondContact O-N 2.98Å; D20-L36 HydrophobicContact CB-CD1 4.17Å; D20-L36 HydrophobicContact CB-CD2 3.66Å; D20-L36 WeakPolarHBondContact OD1-CD1 3.32Å; D20-R40 IonicContact OD1-CZ 2.71Å; D20-R40 IonicContact OD1-NH2 2.79Å; D20-R40 PolarHBondContact OD1-NH2 3.16Å; D20-R40 IonicContact OD2-CZ 3.41Å; D20-R40 IonicContact OD2-NH2 3.64Å; D20-R40 PolarHBondContact OD2-NH2 3.15Å
21E93.6Very high93.4Very high96 Ų9661 Ų6145%0.44929%0.291SS..Hα-helixtrans-59.9-46.4178.7-168.9178.6-179.700111.1V15 T17 S18 Q19 R24 K25V15-E21 HydrophobicContact CG1-CB 3.76Å; V15-E21 HydrophobicContact CG1-CG 4.46Å; T17-E21 PolarHBondContact O-N 3.27Å; T17-E21 VanDerWaalsContact O-N 3.12Å; S18-E21 PolarHBondContact O-N 3.41Å; Q19-E21 VanDerWaalsContact C-N 3.27Å; Q19-E21 PolarHBondContact O-N 3.3Å; E21-R24 PolarHBondContact O-N 3.44Å; E21-K25 VanDerWaalsContact O-CB 3.27Å; E21-K25 WeakPolarHBondContact O-CB 3.4Å; E21-K25 PolarHBondContact O-N 3.41Å
22N96.6Very high93.6Very high98 Ų9859.8 Ų59.852%0.52429%0.287SS..Hα-helixtrans-63.1-46.1177.4-73.2-23.9000112.4S18 Q19 D20 R24 K25 E26S18-N22 VanDerWaalsContact O-CG 3.31Å; S18-N22 PolarHBondContact O-N 3.14Å; S18-N22 PolarHBondContact O-ND2 3.33Å; Q19-N22 PolarHBondContact O-N 3.05Å; D20-N22 PolarHBondContact O-N 2.89Å; N22-R24 VanDerWaalsContact C-N 3.33Å; N22-R24 PolarHBondContact O-N 2.67Å; N22-K25 PolarHBondContact O-N 3.36Å; N22-E26 WeakPolarHBondContact O-CB 3.23Å; N22-E26 PolarHBondContact O-N 3.4Å
23I96.9Very high93.8Very high50 Ų5059.1 Ų59.126%0.25628%0.283SS..Hα-helixtrans-61.2-43.6177.4-67.2167.7000110.5Q19 D20 G27 V35 L36Q19-I23 HydrophobicContact CG-CD1 4.03Å; Q19-I23 WeakPolarHBondContact O-CG1 3.47Å; Q19-I23 PolarHBondContact O-N 3.3Å; D20-I23 PolarHBondContact O-N 2.88Å; I23-G27 WeakPolarHBondContact O-CA 3.15Å; I23-G27 PolarHBondContact O-N 3.37Å; I23-V35 HydrophobicContact CG2-CG1 4.2Å; I23-L36 HydrophobicContact CB-CB 4.5Å; I23-L36 HydrophobicContact CB-CD1 4.4Å; I23-L36 HydrophobicContact CD1-CD1 4.47Å; I23-L36 HydrophobicContact CG2-CB 3.93Å; I23-L36 HydrophobicContact CG2-CD1 4.21Å
24R94.1Very high94Very high18 Ų1859.1 Ų59.17%0.06828%0.283CS..Hα-helixtrans-62.1-49.7177.4-177.6-174.3-17581.412.7111.1G13 D20 E21 N22 G27 Y28 N34 L36 A481 A482G13-R24 PolarHBondContact O-NH1 3.14Å; D20-R24 VanDerWaalsContact O-CB 3.28Å; D20-R24 WeakPolarHBondContact O-CB 3.3Å; D20-R24 PolarHBondContact O-N 2.98Å; E21-R24 PolarHBondContact O-N 3.44Å; N22-R24 VanDerWaalsContact C-N 3.33Å; N22-R24 PolarHBondContact O-N 2.67Å; R24-G27 WeakPolarHBondContact O-CA 3Å; R24-G27 PolarHBondContact O-N 2.72Å; R24-Y28 HydrophobicContact CG-CD2 3.96Å; R24-Y28 HydrophobicContact CG-CE2 3.76Å; R24-Y28 PolarHBondContact NH2-OH 3.44Å; R24-Y28 VanDerWaalsContact NH2-OH 3.11Å; R24-Y28 VanDerWaalsContact O-CD2 3.31Å; R24-Y28 WeakPolarHBondContact O-CD2 3.4Å; R24-Y28 PolarHBondContact O-N 3.21Å; R24-N34 PolarHBondContact NH1-ND2 3.02Å; R24-L36 HydrophobicContact CB-CB 4.31Å; R24-L36 HydrophobicContact CB-CD2 4.49Å; R24-A481 PolarHBondContact NH2-O 3.45Å; R24-A482 VanDerWaalsContact CZ-O 3.29Å; R24-A482 PolarHBondContact NE-O 3.31Å; R24-A482 PolarHBondContact NH2-O 2.72Å
25K93Very high94.3Very high145 Ų14558.2 Ų58.263%0.6328%0.28SS*.Hα-helixtrans-62.6-50-177.6-175.6177.8179.8178.20111.9E21 N22 G27 Y28 K29E21-K25 VanDerWaalsContact O-CB 3.27Å; E21-K25 WeakPolarHBondContact O-CB 3.4Å; E21-K25 PolarHBondContact O-N 3.41Å; N22-K25 PolarHBondContact O-N 3.36Å; K25-G27 VanDerWaalsContact C-N 3.26Å; K25-G27 PolarHBondContact O-N 3.34Å; K25-Y28 PolarHBondContact O-N 2.79Å; K25-K29 WeakPolarHBondContact O-CB 3.48Å; K25-K29 PolarHBondContact O-N 3.42Å
26E94.5Very high94.5Very high77 Ų7758.3 Ų58.336%0.3628%0.281SS..Hα-helixtrans-65.3-33.3175.1-73.2-59.8127.400111.4N22 K29 N30N22-E26 WeakPolarHBondContact O-CB 3.23Å; N22-E26 PolarHBondContact O-N 3.4Å; E26-K29 PolarHBondContact O-N 3.19Å; E26-K29 IonicContact OE1-NZ 3.86Å; E26-K29 PolarHBondContact OE1-NZ 3.41Å; E26-K29 VanDerWaalsContact OE1-NZ 3.15Å; E26-K29 IonicContact OE2-NZ 2.87Å; E26-K29 PolarHBondContact OE2-NZ 3.18Å; E26-N30 VanDerWaalsContact O-CB 3.3Å; E26-N30 WeakPolarHBondContact O-CB 3.45Å; E26-N30 VanDerWaalsContact O-CG 3.3Å; E26-N30 PolarHBondContact O-N 3.38Å; E26-N30 PolarHBondContact O-ND2 2.91Å; E26-N30 PolarHBondContact OE2-ND2 2.74Å
27G94.9Very high94.7Very high1 Ų151.7 Ų51.71%0.0126%0.255CS..Hα-helixtrans-56.4-55.9172.900000113.2I23 R24 K25 K29 N30 Y31 A32 F33 V35I23-G27 WeakPolarHBondContact O-CA 3.15Å; I23-G27 PolarHBondContact O-N 3.37Å; R24-G27 WeakPolarHBondContact O-CA 3Å; R24-G27 PolarHBondContact O-N 2.72Å; K25-G27 VanDerWaalsContact C-N 3.26Å; K25-G27 PolarHBondContact O-N 3.34Å; G27-K29 VanDerWaalsContact C-N 3.3Å; G27-K29 PolarHBondContact O-N 3.4Å; G27-N30 PolarHBondContact O-N 3.11Å; G27-Y31 WeakPolarHBondContact O-CA 3.31Å; G27-Y31 WeakPolarHBondContact O-CB 3.44Å; G27-Y31 PolarHBondContact O-N 3.05Å; G27-A32 PolarHBondContact O-N 2.91Å; G27-F33 CarbonylContact C-O 3.58Å; G27-V35 VanDerWaalsContact CA-CG2 3.45Å
28Y92.9Very high94.9Very high53 Ų5348.5 Ų48.521%0.20824%0.236CC..Hα-helixtrans-65.6-33.9177.5-79-70.1000112.8R24 K25 A32 F33 N34 D212 R298R24-Y28 HydrophobicContact CG-CD2 3.96Å; R24-Y28 HydrophobicContact CG-CE2 3.76Å; R24-Y28 PolarHBondContact NH2-OH 3.44Å; R24-Y28 VanDerWaalsContact NH2-OH 3.11Å; R24-Y28 VanDerWaalsContact O-CD2 3.31Å; R24-Y28 WeakPolarHBondContact O-CD2 3.4Å; R24-Y28 PolarHBondContact O-N 3.21Å; K25-Y28 PolarHBondContact O-N 2.79Å; Y28-A32 VanDerWaalsContact O-CA 3.3Å; Y28-A32 WeakPolarHBondContact O-CA 3.47Å; Y28-A32 PolarHBondContact O-N 3.39Å; Y28-F33 PolarHBondContact N-O 2.9Å; Y28-N34 HydrophobicContact CE2-CB 4.11Å; Y28-D212 PolarHBondContact OH-OD1 2.04Å; Y28-R298 PolarHBondContact O-NH2 2.78Å
29K91.7Very high95.1Very high118 Ų11848.6 Ų48.651%0.51323%0.231SC..Hα-helixtrans-66-48.3177.4-179-175163.4-158.50111.7K25 E26 G27 R298K25-K29 WeakPolarHBondContact O-CB 3.48Å; K25-K29 PolarHBondContact O-N 3.42Å; E26-K29 PolarHBondContact O-N 3.19Å; E26-K29 IonicContact OE1-NZ 3.86Å; E26-K29 PolarHBondContact OE1-NZ 3.41Å; E26-K29 VanDerWaalsContact OE1-NZ 3.15Å; E26-K29 IonicContact OE2-NZ 2.87Å; E26-K29 PolarHBondContact OE2-NZ 3.18Å; G27-K29 VanDerWaalsContact C-N 3.3Å; G27-K29 PolarHBondContact O-N 3.4Å; K29-R298 PolarHBondContact O-NH2 3.28Å
30N93Very high95.1Very high63 Ų6346.1 Ų46.134%0.33722%0.215SC..Hα-helixtrans-92.9-23.6-169.8-59.5-28.2000113.4E26 G27 P300E26-N30 VanDerWaalsContact O-CB 3.3Å; E26-N30 WeakPolarHBondContact O-CB 3.45Å; E26-N30 VanDerWaalsContact O-CG 3.3Å; E26-N30 PolarHBondContact O-N 3.38Å; E26-N30 PolarHBondContact O-ND2 2.91Å; E26-N30 PolarHBondContact OE2-ND2 2.74Å; G27-N30 PolarHBondContact O-N 3.11Å; N30-P300 VanDerWaalsContact O-CB 3.25Å; N30-P300 WeakPolarHBondContact O-CB 3.43Å
31Y94.4Very high95.1Very high42 Ų4245.8 Ų45.817%0.16521%0.214CC..Hα-helixtrans-131.5-8.1-173.7-46.5-78000114.7G27 F33 V35 N94 E95 A96G27-Y31 WeakPolarHBondContact O-CA 3.31Å; G27-Y31 WeakPolarHBondContact O-CB 3.44Å; G27-Y31 PolarHBondContact O-N 3.05Å; Y31-F33 VanDerWaalsContact C-N 3.3Å; Y31-F33 VanDerWaalsContact CB-CZ 3.46Å; Y31-F33 HydrophobicContact CG-CE2 4.5Å; Y31-F33 HydrophobicContact CG-CZ 4.2Å; Y31-F33 WeakPolarHBondContact O-CD1 3.24Å; Y31-F33 VanDerWaalsContact O-CE1 3.3Å; Y31-F33 WeakPolarHBondContact O-CE1 3.11Å; Y31-F33 PolarHBondContact O-N 2.79Å; Y31-V35 HydrophobicContact CD2-CG2 3.37Å; Y31-V35 HydrophobicContact CE2-CG2 3.93Å; Y31-V35 HydrophobicContact CG-CG2 4.14Å; Y31-N94 VanDerWaalsContact CD1-O 3.28Å; Y31-N94 WeakPolarHBondContact CD1-O 3.5Å; Y31-N94 WeakPolarHBondContact CE1-O 3.28Å; Y31-E95 VanDerWaalsContact CE1-C 3.45Å; Y31-A96 HydrophobicContact CD1-CB 3.91Å; Y31-A96 HydrophobicContact CD2-CB 4.23Å; Y31-A96 HydrophobicContact CE1-CB 4.06Å; Y31-A96 VanDerWaalsContact CE1-N 3.32Å; Y31-A96 HydrophobicContact CE2-CB 4.34Å; Y31-A96 HydrophobicContact CG-CB 3.99Å
32A93.6Very high95.1Very high5 Ų542.2 Ų42.24%0.04120%0.203CC..SBendtrans63.327.9179.500000115.2G27 Y28 R296 R298 P300G27-A32 PolarHBondContact O-N 2.91Å; Y28-A32 VanDerWaalsContact O-CA 3.3Å; Y28-A32 WeakPolarHBondContact O-CA 3.47Å; Y28-A32 PolarHBondContact O-N 3.39Å; A32-R296 HydrophobicContact CB-CB 4.27Å; A32-R298 HydrophobicContact CB-CG 3.66Å; A32-R298 VanDerWaalsContact CB-O 3.29Å; A32-R298 WeakPolarHBondContact CB-O 3.44Å; A32-P300 HydrophobicContact CB-CB 4.15Å; A32-P300 HydrophobicContact CB-CG 4.47Å
33F95.3Very high95.1Very high0 Ų041.5 Ų41.50%020%0.195CC..SBendtrans-153172.1171.353.8-108.2000111G27 Y28 Y31 V35 A96 V99 S211 F214 V294 R296G27-F33 CarbonylContact C-O 3.58Å; Y28-F33 PolarHBondContact N-O 2.9Å; Y31-F33 VanDerWaalsContact C-N 3.3Å; Y31-F33 VanDerWaalsContact CB-CZ 3.46Å; Y31-F33 HydrophobicContact CG-CE2 4.5Å; Y31-F33 HydrophobicContact CG-CZ 4.2Å; Y31-F33 WeakPolarHBondContact O-CD1 3.24Å; Y31-F33 VanDerWaalsContact O-CE1 3.3Å; Y31-F33 WeakPolarHBondContact O-CE1 3.11Å; Y31-F33 PolarHBondContact O-N 2.79Å; F33-V35 HydrophobicContact CD2-CG2 4.06Å; F33-V35 HydrophobicContact CE2-CG2 3.71Å; F33-V35 PolarHBondContact O-N 3.36Å; F33-A96 HydrophobicContact CE2-CB 3.83Å; F33-A96 HydrophobicContact CZ-CB 3.68Å; F33-V99 HydrophobicContact CE2-CG2 3.71Å; F33-V99 HydrophobicContact CZ-CB 4.48Å; F33-V99 HydrophobicContact CZ-CG2 3.74Å; F33-S211 WeakPolarHBondContact CB-O 3.49Å; F33-F214 HydrophobicContact CB-CE2 4.4Å; F33-F214 HydrophobicContact CB-CZ 4.42Å; F33-F214 AromaticContact CD2-CE2 3.87Å; F33-F214 HydrophobicContact CD2-CE2 3.87Å; F33-F214 AromaticContact CD2-CZ 3.49Å; F33-F214 HydrophobicContact CD2-CZ 3.49Å; F33-F214 VanDerWaalsContact CD2-CZ 3.49Å; F33-F214 AromaticContact CE2-CZ 3.88Å; F33-F214 HydrophobicContact CE2-CZ 3.88Å; F33-F214 HydrophobicContact CG-CE2 4.41Å; F33-F214 HydrophobicContact CG-CZ 4.04Å; F33-V294 HydrophobicContact CB-CG1 4.22Å; F33-V294 HydrophobicContact CD1-CG1 4.04Å; F33-V294 HydrophobicContact CG-CG1 4.27Å; F33-R296 HydrophobicContact CD1-CG 4.22Å
34N95.3Very high94.8Very high0 Ų044 Ų440%020%0.202CC..  trans-77.885.8-177.6-173.55.6000113.2G13 R24 Y28 L36 A37 S38 S211 D212 F214G13-N34 WeakPolarHBondContact CA-ND2 3.27Å; R24-N34 PolarHBondContact NH1-ND2 3.02Å; Y28-N34 HydrophobicContact CE2-CB 4.11Å; N34-L36 PolarHBondContact O-N 3.44Å; N34-L36 VanDerWaalsContact OD1-CB 3.3Å; N34-L36 WeakPolarHBondContact OD1-CB 3.27Å; N34-L36 PolarHBondContact OD1-N 2.95Å; N34-A37 HydrophobicContact CB-CB 4.13Å; N34-A37 VanDerWaalsContact ND2-CB 3.31Å; N34-A37 WeakPolarHBondContact ND2-CB 3.42Å; N34-A37 PolarHBondContact O-N 3.46Å; N34-A37 VanDerWaalsContact O-N 3.08Å; N34-A37 PolarHBondContact OD1-N 2.91Å; N34-S38 PolarHBondContact O-N 3.24Å; N34-S38 VanDerWaalsContact O-N 3.08Å; N34-S211 WeakPolarHBondContact CB-O 3.09Å; N34-S211 PolarHBondContact N-O 3.19Å; N34-D212 WeakPolarHBondContact CB-O 3.41Å; N34-D212 PolarHBondContact ND2-O 3.29Å; N34-F214 VanDerWaalsContact O-CE2 3.23Å; N34-F214 WeakPolarHBondContact O-CE2 3.48Å
35V96.7Very high94.8Very high14 Ų1443.5 Ų43.59%0.08520%0.199CC..Hα-helixtrans-57.4-31.1175.91720000112.7I23 G27 Y31 F33 A37 S38 N39 A96I23-V35 HydrophobicContact CG2-CG1 4.2Å; G27-V35 VanDerWaalsContact CA-CG2 3.45Å; Y31-V35 HydrophobicContact CD2-CG2 3.37Å; Y31-V35 HydrophobicContact CE2-CG2 3.93Å; Y31-V35 HydrophobicContact CG-CG2 4.14Å; F33-V35 HydrophobicContact CD2-CG2 4.06Å; F33-V35 HydrophobicContact CE2-CG2 3.71Å; F33-V35 PolarHBondContact O-N 3.36Å; V35-A37 PolarHBondContact O-N 3.01Å; V35-S38 PolarHBondContact O-N 2.98Å; V35-N39 WeakPolarHBondContact O-CB 3.41Å; V35-N39 PolarHBondContact O-N 3.3Å; V35-N39 PolarHBondContact O-OD1 3.24Å; V35-A96 HydrophobicContact CG2-CB 4.2Å
36L97.3Very high94.8Very high5 Ų540.4 Ų40.43%0.02620%0.196CC..Hα-helixtrans-59.9-47.4175.3176.468.9000111.1D20 I23 R24 N34 N39 R40D20-L36 HydrophobicContact CB-CD1 4.17Å; D20-L36 HydrophobicContact CB-CD2 3.66Å; D20-L36 WeakPolarHBondContact OD1-CD1 3.32Å; I23-L36 HydrophobicContact CB-CB 4.5Å; I23-L36 HydrophobicContact CB-CD1 4.4Å; I23-L36 HydrophobicContact CD1-CD1 4.47Å; I23-L36 HydrophobicContact CG2-CB 3.93Å; I23-L36 HydrophobicContact CG2-CD1 4.21Å; R24-L36 HydrophobicContact CB-CB 4.31Å; R24-L36 HydrophobicContact CB-CD2 4.49Å; N34-L36 PolarHBondContact O-N 3.44Å; N34-L36 VanDerWaalsContact OD1-CB 3.3Å; N34-L36 WeakPolarHBondContact OD1-CB 3.27Å; N34-L36 PolarHBondContact OD1-N 2.95Å; L36-N39 PolarHBondContact O-N 3.34Å; L36-R40 WeakPolarHBondContact O-CG 3.46Å; L36-R40 PolarHBondContact O-N 3.24Å; L36-R40 VanDerWaalsContact O-N 3.14Å
37A96.2Very high94.8Very high0 Ų037.5 Ų37.50%018%0.183CC..Hα-helixtrans-63.5-45.3175.600000111.1I12 N34 V35 N39 R40 V41 F214I12-A37 HydrophobicContact CG1-CB 4.38Å; I12-A37 HydrophobicContact CG2-CB 4.14Å; N34-A37 HydrophobicContact CB-CB 4.13Å; N34-A37 VanDerWaalsContact ND2-CB 3.31Å; N34-A37 WeakPolarHBondContact ND2-CB 3.42Å; N34-A37 PolarHBondContact O-N 3.46Å; N34-A37 VanDerWaalsContact O-N 3.08Å; N34-A37 PolarHBondContact OD1-N 2.91Å; V35-A37 PolarHBondContact O-N 3.01Å; A37-N39 VanDerWaalsContact C-N 3.32Å; A37-N39 PolarHBondContact O-N 2.86Å; A37-R40 PolarHBondContact O-N 3.16Å; A37-R40 VanDerWaalsContact O-N 3.16Å; A37-V41 WeakPolarHBondContact O-CG2 3.34Å; A37-V41 PolarHBondContact O-N 3.46Å; A37-F214 HydrophobicContact CB-CD2 3.92Å
38S97.2Very high94.7Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-58.7-42.1177.3-175.90000113.1N34 V35 R40 V41 G42 S98 V99 R102N34-S38 PolarHBondContact O-N 3.24Å; N34-S38 VanDerWaalsContact O-N 3.08Å; V35-S38 PolarHBondContact O-N 2.98Å; S38-R40 VanDerWaalsContact C-N 3.29Å; S38-R40 PolarHBondContact O-N 2.96Å; S38-V41 PolarHBondContact O-N 2.74Å; S38-G42 PolarHBondContact O-N 3.3Å; S38-S98 WeakPolarHBondContact OG-CB 3.46Å; S38-S98 PolarHBondContact OG-OG 3.44Å; S38-V99 VanDerWaalsContact OG-CG2 3.3Å; S38-V99 WeakPolarHBondContact OG-CG2 3.41Å; S38-R102 PolarHBondContact O-NH1 2.75Å; S38-R102 PolarHBondContact OG-NH1 2.91Å; S38-R102 VanDerWaalsContact OG-NH1 3.11Å; S38-R102 PolarHBondContact OG-NH2 3.39Å
39N96.9Very high94.7Very high79 Ų7940.5 Ų40.542%0.42221%0.206SC..Hα-helixtrans-64.7-38.2179.5-73.3-8.2000110.8V35 L36 A37 G42 S98V35-N39 WeakPolarHBondContact O-CB 3.41Å; V35-N39 PolarHBondContact O-N 3.3Å; V35-N39 PolarHBondContact O-OD1 3.24Å; L36-N39 PolarHBondContact O-N 3.34Å; A37-N39 VanDerWaalsContact C-N 3.32Å; A37-N39 PolarHBondContact O-N 2.86Å; N39-G42 WeakPolarHBondContact O-CA 3.41Å; N39-G42 PolarHBondContact O-N 3.14Å; N39-G42 VanDerWaalsContact O-N 3.15Å; N39-S98 WeakPolarHBondContact OD1-CB 3.44Å; N39-S98 PolarHBondContact OD1-OG 2.5Å; N39-S98 VanDerWaalsContact OD1-OG 3.13Å
40R96.5Very high94.7Very high86 Ų8636 Ų3633%0.32519%0.189SC..Hα-helixtrans-72.8-29.3177.8-72.3170.1175.1-178.4-0113.6I12 K14 D20 L36 A37 S38 G42I12-R40 HydrophobicContact CD1-CB 4.15Å; I12-R40 HydrophobicContact CG1-CB 3.69Å; I12-R40 WeakPolarHBondContact O-CD 3.44Å; I12-R40 PolarHBondContact O-NH1 2.96Å; K14-R40 PolarHBondContact O-NH1 3.09Å; K14-R40 PolarHBondContact O-NH2 3.17Å; D20-R40 IonicContact OD1-CZ 2.71Å; D20-R40 IonicContact OD1-NH2 2.79Å; D20-R40 PolarHBondContact OD1-NH2 3.16Å; D20-R40 IonicContact OD2-CZ 3.41Å; D20-R40 IonicContact OD2-NH2 3.64Å; D20-R40 PolarHBondContact OD2-NH2 3.15Å; L36-R40 WeakPolarHBondContact O-CG 3.46Å; L36-R40 PolarHBondContact O-N 3.24Å; L36-R40 VanDerWaalsContact O-N 3.14Å; A37-R40 PolarHBondContact O-N 3.16Å; A37-R40 VanDerWaalsContact O-N 3.16Å; S38-R40 VanDerWaalsContact C-N 3.29Å; S38-R40 PolarHBondContact O-N 2.96Å; R40-G42 PolarHBondContact O-N 3.11Å
41V96Very high94.4Very high11 Ų1133.8 Ų33.87%0.06718%0.176CC..Hα-helixtrans-61.1-38.1167.2171.70000109.8I7 I12 A37 S38 R45 F214I7-V41 HydrophobicContact CD1-CG1 4.3Å; I12-V41 HydrophobicContact CD1-CB 4.35Å; I12-V41 HydrophobicContact CD1-CG2 3.37Å; A37-V41 WeakPolarHBondContact O-CG2 3.34Å; A37-V41 PolarHBondContact O-N 3.46Å; S38-V41 PolarHBondContact O-N 2.74Å; V41-R45 HydrophobicContact CG1-CB 4.1Å; V41-R45 HydrophobicContact CG1-CG 3.8Å; V41-F214 HydrophobicContact CG2-CB 3.92Å
42G94.4Very high93.6Very high21 Ų2133 Ų3322%0.21618%0.175CC..  trans84.6-167-177.700000112.9S38 N39 R40 R102S38-G42 PolarHBondContact O-N 3.3Å; N39-G42 WeakPolarHBondContact O-CA 3.41Å; N39-G42 PolarHBondContact O-N 3.14Å; N39-G42 VanDerWaalsContact O-N 3.15Å; R40-G42 PolarHBondContact O-N 3.11Å; G42-R102 WeakPolarHBondContact O-CD 3.31Å; G42-R102 PolarHBondContact O-NH1 3.01Å
43F95.8Very high92.6Very high84 Ų8437.6 Ų37.637%0.36820%0.196SC..SBendtrans-86.2-7.5-174-63.4-19.4000113.7I101 R102 N105 Y137F43-I101 HydrophobicContact CB-CG2 3.55Å; F43-I101 HydrophobicContact CD1-CB 3.99Å; F43-I101 HydrophobicContact CD1-CD1 4.08Å; F43-I101 HydrophobicContact CD1-CG2 3.75Å; F43-I101 HydrophobicContact CD2-CD1 4.4Å; F43-I101 HydrophobicContact CD2-CG2 4Å; F43-I101 HydrophobicContact CE1-CB 4.43Å; F43-I101 HydrophobicContact CE1-CD1 3.71Å; F43-I101 HydrophobicContact CE1-CG2 4.47Å; F43-I101 HydrophobicContact CE2-CD1 4.02Å; F43-I101 HydrophobicContact CG-CB 4.25Å; F43-I101 HydrophobicContact CG-CD1 4.43Å; F43-I101 HydrophobicContact CG-CG2 3.48Å; F43-I101 VanDerWaalsContact CG-CG2 3.48Å; F43-I101 HydrophobicContact CZ-CD1 3.66Å; F43-R102 WeakPolarHBondContact O-CA 3.19Å; F43-N105 WeakPolarHBondContact O-CB 3.37Å; F43-N105 PolarHBondContact O-ND2 2.67Å; F43-Y137 AromaticContact CD2-CD2 3.82Å; F43-Y137 HydrophobicContact CD2-CD2 3.82Å; F43-Y137 AromaticContact CD2-CE2 3.32Å; F43-Y137 HydrophobicContact CD2-CE2 3.32Å; F43-Y137 AromaticContact CD2-CZ 3.73Å; F43-Y137 AromaticContact CE2-CD2 3.77Å; F43-Y137 HydrophobicContact CE2-CD2 3.77Å; F43-Y137 AromaticContact CE2-CE2 3.78Å; F43-Y137 HydrophobicContact CE2-CE2 3.78Å; F43-Y137 HydrophobicContact CE2-CG 4.45Å; F43-Y137 HydrophobicContact CG-CE2 4.31Å
44W92Very high91.1Very high103 Ų10342.8 Ų42.839%0.3922%0.223SC..  trans-153.2143.7176.3-179.592.9000110A4 S46A4-W44 HydrophobicContact CB-CZ3 4.37Å; W44-S46 WeakPolarHBondContact CH2-OG 3.22Å
45R94.2Very high89.3Confident6 Ų644.6 Ų44.62%0.02323%0.23CC..  trans-152156.5169.757.8161.3171.9-1710111.3I7 Y9 V41 I47 R110 E181 F214I7-R45 HydrophobicContact CD1-CB 3.9Å; Y9-R45 VanDerWaalsContact CE1-NH1 3.34Å; Y9-R45 PolarHBondContact OH-NH1 3.29Å; V41-R45 HydrophobicContact CG1-CB 4.1Å; V41-R45 HydrophobicContact CG1-CG 3.8Å; R45-I47 HydrophobicContact CG-CG2 4.12Å; R45-R110 PolarHBondContact O-NH2 3.32Å; R45-E181 IonicContact CZ-OE1 2.7Å; R45-E181 IonicContact CZ-OE2 3.79Å; R45-E181 IonicContact NE-OE1 2.84Å; R45-E181 PolarHBondContact NE-OE1 3.04Å; R45-E181 IonicContact NE-OE2 2.7Å; R45-E181 PolarHBondContact NE-OE2 3.39Å; R45-E181 IonicContact NH2-OE1 3.38Å; R45-E181 PolarHBondContact NH2-OE1 2.83Å; R45-E181 IonicContact NH2-OE2 3.25Å; R45-F214 PolarHBondContact NH1-O 2.83Å; R45-F214 PolarHBondContact NH2-O 2.92Å
46S92.6Very high87.2Confident80 Ų8049.5 Ų49.556%0.55925%0.25SS*.  trans-72.8140.5158.8-57.80000109.9W44W44-S46 WeakPolarHBondContact CH2-OG 3.22Å
47I94.5Very high84.8Confident16 Ų1651.7 Ų51.78%0.08226%0.264CS..  trans-121.8155.1171.464.3-179000108.3R45 R110 V182 N183 Y216R45-I47 HydrophobicContact CG-CG2 4.12Å; I47-R110 VanDerWaalsContact CD1-NH1 3.32Å; I47-V182 WeakPolarHBondContact CD1-O 3.2Å; I47-N183 HydrophobicContact CD1-CB 4.33Å; I47-Y216 HydrophobicContact CB-CD1 4.46Å; I47-Y216 HydrophobicContact CB-CD2 4.16Å; I47-Y216 HydrophobicContact CB-CG 4.08Å; I47-Y216 HydrophobicContact CD1-CD2 3.89Å; I47-Y216 HydrophobicContact CD1-CE2 3.55Å; I47-Y216 HydrophobicContact CD1-CG 4.49Å; I47-Y216 HydrophobicContact CG2-CD2 4.04Å; I47-Y216 HydrophobicContact CG2-CG 4.23Å
48P92.5Very high82.3Confident69 Ų6956 Ų5645%0.44829%0.287SS..  trans-64.7142.6175.927-34.4000111.4T50 N183 Y216P48-T50 HydrophobicContact CB-CG2 4.46Å; P48-T50 HydrophobicContact CG-CG2 4.18Å; P48-T50 PolarHBondContact O-N 3.34Å; P48-T50 VanDerWaalsContact O-N 3.13Å; P48-N183 PolarHBondContact O-ND2 2.99Å; P48-N183 PolarHBondContact O-OD1 3.08Å; P48-Y216 HydrophobicContact CG-CD1 4.01Å
49D93.7Very high79.6Confident48 Ų4859 Ų5926%0.25731%0.307SS..  trans-73.3100167.3-176.1-3.1000109.2R51 K75 E184D49-R51 VanDerWaalsContact C-N 3.32Å; D49-R51 VanDerWaalsContact OD1-CB 3.23Å; D49-R51 WeakPolarHBondContact OD1-CB 3.4Å; D49-R51 VanDerWaalsContact OD1-CG 3.25Å; D49-R51 WeakPolarHBondContact OD1-CG 3.32Å; D49-R51 IonicContact OD1-CZ 3.79Å; D49-R51 PolarHBondContact OD1-N 2.89Å; D49-R51 VanDerWaalsContact OD1-N 3.07Å; D49-R51 IonicContact OD1-NE 3.89Å; D49-R51 PolarHBondContact OD1-NE 3.05Å; D49-R51 IonicContact OD1-NH2 2.71Å; D49-R51 IonicContact OD2-CZ 3.88Å; D49-R51 IonicContact OD2-NE 3.78Å; D49-R51 PolarHBondContact OD2-NE 3.46Å; D49-R51 IonicContact OD2-NH2 3.97Å; D49-R51 PolarHBondContact OD2-NH2 3.08Å; D49-K75 WeakPolarHBondContact OD2-CG 3.3Å; D49-E184 HydrophobicContact CB-CG 4.32Å
50T90.3Very high77.1Confident25 Ų2562.7 Ų62.715%0.15332%0.32CS..  trans-91.15.7-177.352.80000112.8P48 N183 D207 Y216P48-T50 HydrophobicContact CB-CG2 4.46Å; P48-T50 HydrophobicContact CG-CG2 4.18Å; P48-T50 PolarHBondContact O-N 3.34Å; P48-T50 VanDerWaalsContact O-N 3.13Å; T50-N183 PolarHBondContact OG1-ND2 3.42Å; T50-D207 VanDerWaalsContact CB-OD2 3.29Å; T50-D207 WeakPolarHBondContact CB-OD2 3.49Å; T50-D207 PolarHBondContact OG1-OD2 3.15Å; T50-Y216 HydrophobicContact CG2-CD1 4.1Å; T50-Y216 HydrophobicContact CG2-CE1 3.66Å
51R88Confident74.2Confident16 Ų1666.8 Ų66.86%0.0634%0.343CS..SBendtrans-63.6138.3173.9-62.6177.6-65.2164.2-0109.4D49 E53 C74 K75 E184 E185 C288 R290D49-R51 VanDerWaalsContact C-N 3.32Å; D49-R51 VanDerWaalsContact OD1-CB 3.23Å; D49-R51 WeakPolarHBondContact OD1-CB 3.4Å; D49-R51 VanDerWaalsContact OD1-CG 3.25Å; D49-R51 WeakPolarHBondContact OD1-CG 3.32Å; D49-R51 IonicContact OD1-CZ 3.79Å; D49-R51 PolarHBondContact OD1-N 2.89Å; D49-R51 VanDerWaalsContact OD1-N 3.07Å; D49-R51 IonicContact OD1-NE 3.89Å; D49-R51 PolarHBondContact OD1-NE 3.05Å; D49-R51 IonicContact OD1-NH2 2.71Å; D49-R51 IonicContact OD2-CZ 3.88Å; D49-R51 IonicContact OD2-NE 3.78Å; D49-R51 PolarHBondContact OD2-NE 3.46Å; D49-R51 IonicContact OD2-NH2 3.97Å; D49-R51 PolarHBondContact OD2-NH2 3.08Å; R51-E53 PolarHBondContact O-N 3.43Å; R51-C74 HydrophobicContact CB-CB 3.79Å; R51-C74 PolarHBondContact NH1-O 3.29Å; R51-K75 HydrophobicContact CB-CG 4.36Å; R51-K75 VanDerWaalsContact O-CE 3.24Å; R51-K75 WeakPolarHBondContact O-CE 3.49Å; R51-E184 VanDerWaalsContact CD-O 3.26Å; R51-E184 WeakPolarHBondContact CD-O 3.41Å; R51-E184 PolarHBondContact NE-O 2.99Å; R51-E185 IonicContact CZ-OE2 2.82Å; R51-E185 IonicContact NH1-OE2 3.34Å; R51-E185 PolarHBondContact NH1-OE2 3.32Å; R51-C288 VanDerWaalsContact CD-O 3.24Å; R51-C288 WeakPolarHBondContact CD-O 3.43Å; R51-C288 WeakPolarHBondContact CG-O 3.36Å; R51-R290 HydrophobicContact CG-CG 3.9Å
52P76.7Confident71.5Confident24 Ų2469.5 Ų69.516%0.15636%0.362CS..  trans-57.8132.5-179-24.332000112.7L54 C74 P287P52-L54 WeakPolarHBondContact CB-O 3.27Å; P52-L54 PolarHBondContact O-N 3.26Å; P52-C74 WeakPolarHBondContact O-CB 3.48Å; P52-C74 PolarHBondContact O-N 3.2Å; P52-P287 VanDerWaalsContact CD-O 3.27Å; P52-P287 WeakPolarHBondContact CD-O 3.44Å; P52-P287 HydrophobicContact CG-CB 4.38Å
53E72.1Confident69.2Low103 Ų10377 Ų7748%0.48140%0.395SS..SBendtrans-67.5-26.6170.8-161.662.6-116.300111.9R51 S73 K75R51-E53 PolarHBondContact O-N 3.43Å; E53-S73 WeakPolarHBondContact CA-OG 3.48Å; E53-S73 WeakPolarHBondContact O-CA 3.33Å; E53-S73 WeakPolarHBondContact O-CB 3.38Å; E53-S73 PolarHBondContact O-OG 2.82Å; E53-S73 WeakPolarHBondContact OE1-CB 3.34Å; E53-S73 PolarHBondContact OE1-OG 2.03Å; E53-K75 WeakPolarHBondContact OE2-CD 3.3Å; E53-K75 WeakPolarHBondContact OE2-CE 3.38Å; E53-K75 IonicContact OE2-NZ 3.9Å; E53-K75 PolarHBondContact OE2-NZ 3.35Å
54L63.4Low66.5Low109 Ų10979 Ų7957%0.57141%0.409SS*.SBendtrans-143.6131.7176.4-71.5164000106.8P52 Y70P52-L54 WeakPolarHBondContact CB-O 3.27Å; P52-L54 PolarHBondContact O-N 3.26Å; L54-Y70 HydrophobicContact CB-CD1 3.8Å; L54-Y70 HydrophobicContact CB-CE1 4.32Å; L54-Y70 HydrophobicContact CD2-CD1 4.43Å; L54-Y70 HydrophobicContact CD2-CG 4.44Å; L54-Y70 HydrophobicContact CG-CD1 4.48Å
55Y58.8Low64.2Low37 Ų3782.8 Ų82.815%0.14544%0.436CS..EExtended strand (participates in β ladder)trans-125.8149.5169.667.9-84.3000110.6T57 N72 C74 K77Y55-T57 HydrophobicContact CD2-CG2 3.86Å; Y55-T57 HydrophobicContact CE2-CG2 3.29Å; Y55-N72 WeakPolarHBondContact CD1-O 3.5Å; Y55-N72 WeakPolarHBondContact CE1-O 3.19Å; Y55-C74 WeakPolarHBondContact CD1-SG 2.93Å; Y55-K77 PolarHBondContact OH-NZ 3.43Å
56K51.5Low61.6Low117 Ų11788.5 Ų88.551%0.50947%0.467SS..EExtended strand (participates in β ladder)trans-74.9125.3174.1-70.6-178.3179.5179.40108.6Y70K56-Y70 HydrophobicContact CG-CE1 4.46Å
57T46.8Very low59.3Low52 Ų5288.7 Ų88.732%0.31947%0.473SS..  trans-104.1154.2163.644.80000110.2Y55 S59 V71Y55-T57 HydrophobicContact CD2-CG2 3.86Å; Y55-T57 HydrophobicContact CE2-CG2 3.29Å; T57-S59 PolarHBondContact O-N 2.9Å; T57-V71 HydrophobicContact CG2-CB 4.39Å; T57-V71 VanDerWaalsContact OG1-CG2 3.27Å; T57-V71 WeakPolarHBondContact OG1-CG2 2.77Å
58L45Very low56.7Low90 Ų9091.5 Ų91.547%0.47149%0.493SS..  trans-73.4108.6165.2-64.7158.8000108.3K60 F242 N243L58-K60 PolarHBondContact O-N 3.19Å; L58-K60 VanDerWaalsContact O-N 3.14Å; L58-F242 WeakPolarHBondContact CD1-O 3.45Å; L58-F242 VanDerWaalsContact CD2-C 3.4Å; L58-F242 HydrophobicContact CD2-CB 3.96Å; L58-F242 WeakPolarHBondContact CD2-O 3.27Å; L58-F242 HydrophobicContact CG-CB 4.39Å; L58-F242 WeakPolarHBondContact CG-O 3.38Å; L58-N243 WeakPolarHBondContact CD2-OD1 3.47Å
59S39.4Very low54.4Low62 Ų6292 Ų9243%0.43450%0.495SS..  trans-66.1111.6159.6-179.50000107.6T57 H61T57-S59 PolarHBondContact O-N 2.9Å; S59-H61 PolarHBondContact O-N 3.38Å; S59-H61 VanDerWaalsContact O-N 3.15Å; S59-H61 PolarHBondContact OG-N 2.8Å
60K44.3Very low52.2Low158 Ų15896 Ų9669%0.68751%0.507SS*.THydrogen-bonded Turntrans-65.2-4.9168.8-79.5-172.4178.3-179.20112.3L58 E246L58-K60 PolarHBondContact O-N 3.19Å; L58-K60 VanDerWaalsContact O-N 3.14Å; K60-E246 IonicContact NZ-OE1 3.38Å; K60-E246 PolarHBondContact NZ-OE1 2.85Å; K60-E246 IonicContact NZ-OE2 3.68Å
61H36.7Very low50.3Low172 Ų17297.7 Ų97.780%0.79652%0.517SS*.THydrogen-bonded Turntrans-136.857.2-171.2-72.281000113S59S59-H61 PolarHBondContact O-N 3.38Å; S59-H61 VanDerWaalsContact O-N 3.15Å; S59-H61 PolarHBondContact OG-N 2.8Å
62S39.5Very low48.8Very low68 Ų68102 Ų10248%0.47654%0.541SS..  trans-136.9107.5154.6-168.60000110L64S62-L64 PolarHBondContact O-N 2.9Å; S62-L64 PolarHBondContact OG-N 3.43Å; S62-L64 PolarHBondContact OG-O 2.94Å
63I45.3Very low48.7Very low178 Ų178101.4 Ų101.491%0.91354%0.538SS*.  trans-76.7-0.2169.3-38.4175.5000109.6
64L39.3Very low49.4Very low125 Ų12596.5 Ų96.565%0.65452%0.515SS*.SBendtrans-109.8131.3177.8-59.2175000109S62 D66S62-L64 PolarHBondContact O-N 2.9Å; S62-L64 PolarHBondContact OG-N 3.43Å; S62-L64 PolarHBondContact OG-O 2.94Å; L64-D66 PolarHBondContact O-N 3.47Å
65L42.8Very low50.5Low184 Ų18495 Ų9596%0.96350%0.504SS*.  trans-65.822-177.8-83.3154.8000114.4
66D41Very low51.8Low125 Ų12597.7 Ų97.767%0.66852%0.524SS*.  trans-100.3109.6-167.3-62.1-32000111.7L64L64-D66 PolarHBondContact O-N 3.47Å
67A43.1Very low53.5Low84 Ų8495.5 Ų95.569%0.69452%0.515SS*.  trans50.8128.9163.200000119.2T69A67-T69 PolarHBondContact O-N 3.3Å; A67-T69 VanDerWaalsContact O-N 3.11Å
68P41Very low55.6Low76 Ų7699.1 Ų99.149%0.49454%0.537SS..  trans-59.8119.4176.223.4-30.7000111.2Y70P68-Y70 HydrophobicContact CG-CE2 4.3Å; P68-Y70 PolarHBondContact O-N 2.9Å; P68-Y70 VanDerWaalsContact O-N 3.13Å
69T43.3Very low57.8Low80 Ų8096.8 Ų96.849%0.49152%0.522SS..  trans-72.5102166.535.30000108.6A67 V71A67-T69 PolarHBondContact O-N 3.3Å; A67-T69 VanDerWaalsContact O-N 3.11Å; T69-V71 PolarHBondContact O-N 3.16Å
70Y47.4Very low60.3Low131 Ų13196.9 Ų96.951%0.51452%0.522SS..EExtended strand (participates in β ladder)trans-66.3115.1166.5-68.6-89.7000108.2L54 K56 P68L54-Y70 HydrophobicContact CB-CD1 3.8Å; L54-Y70 HydrophobicContact CB-CE1 4.32Å; L54-Y70 HydrophobicContact CD2-CD1 4.43Å; L54-Y70 HydrophobicContact CD2-CG 4.44Å; L54-Y70 HydrophobicContact CG-CD1 4.48Å; K56-Y70 HydrophobicContact CG-CE1 4.46Å; P68-Y70 HydrophobicContact CG-CE2 4.3Å; P68-Y70 PolarHBondContact O-N 2.9Å; P68-Y70 VanDerWaalsContact O-N 3.13Å
71V50.5Low62.6Low60 Ų6094 Ų9436%0.36452%0.521SS..EExtended strand (participates in β ladder)trans-104.5140.5174.8-177.30000108.9T57 T69T57-V71 HydrophobicContact CG2-CB 4.39Å; T57-V71 VanDerWaalsContact OG1-CG2 3.27Å; T57-V71 WeakPolarHBondContact OG1-CG2 2.77Å; T69-V71 PolarHBondContact O-N 3.16Å
72N57.2Low65.3Low107 Ų10790.6 Ų90.657%0.57251%0.514SS*.  trans20.7122.5171.7-70.9-6.4000118Y55 C74Y55-N72 WeakPolarHBondContact CD1-O 3.5Å; Y55-N72 WeakPolarHBondContact CE1-O 3.19Å; N72-C74 PolarHBondContact O-N 2.93Å
73S74.8Confident68.1Low11 Ų1187.8 Ų87.88%0.07749%0.494CS..  trans-47.1135.6168.2179.80000112.2E53 K75 T76 K77E53-S73 WeakPolarHBondContact CA-OG 3.48Å; E53-S73 WeakPolarHBondContact O-CA 3.33Å; E53-S73 WeakPolarHBondContact O-CB 3.38Å; E53-S73 PolarHBondContact O-OG 2.82Å; E53-S73 WeakPolarHBondContact OE1-CB 3.34Å; E53-S73 PolarHBondContact OE1-OG 2.03Å; S73-K75 PolarHBondContact O-N 3.09Å; S73-K75 VanDerWaalsContact O-N 3.1Å; S73-K75 WeakPolarHBondContact OG-CB 3.5Å; S73-K75 PolarHBondContact OG-N 2.98Å; S73-T76 PolarHBondContact O-N 2.87Å; S73-T76 PolarHBondContact O-OG1 3.15Å; S73-K77 PolarHBondContact O-N 2.68Å; S73-K77 VanDerWaalsContact O-N 3.16Å
74C86.3Confident70.6Confident0 Ų080.2 Ų80.20%046%0.456CS..THydrogen-bonded Turntrans-58.4-23.7171.9-74.10000111.3R51 P52 Y55 N72 C288R51-C74 HydrophobicContact CB-CB 3.79Å; R51-C74 PolarHBondContact NH1-O 3.29Å; P52-C74 WeakPolarHBondContact O-CB 3.48Å; P52-C74 PolarHBondContact O-N 3.2Å; Y55-C74 WeakPolarHBondContact CD1-SG 2.93Å; N72-C74 PolarHBondContact O-N 2.93Å; C74-C288 HydrophobicContact CB-CB 3.63Å; C74-C288 WeakPolarHBondContact CB-SG 3.33Å; C74-C288 WeakPolarHBondContact SG-CA 3.33Å; C74-C288 WeakPolarHBondContact SG-CB 3.33Å; C74-C288 CovalentContact SG-SG 2.05Å; C74-C288 PolarHBondContact SG-SG 2.85Å
75K87.1Confident73.4Confident77 Ų7776.2 Ų76.234%0.33544%0.437SS..THydrogen-bonded Turntrans-78.3-19.5179.3-53.9-173.6-174.6161.80113.9D49 R51 E53 S73D49-K75 WeakPolarHBondContact OD2-CG 3.3Å; R51-K75 HydrophobicContact CB-CG 4.36Å; R51-K75 VanDerWaalsContact O-CE 3.24Å; R51-K75 WeakPolarHBondContact O-CE 3.49Å; E53-K75 WeakPolarHBondContact OE2-CD 3.3Å; E53-K75 WeakPolarHBondContact OE2-CE 3.38Å; E53-K75 IonicContact OE2-NZ 3.9Å; E53-K75 PolarHBondContact OE2-NZ 3.35Å; S73-K75 PolarHBondContact O-N 3.09Å; S73-K75 VanDerWaalsContact O-N 3.1Å; S73-K75 WeakPolarHBondContact OG-CB 3.5Å; S73-K75 PolarHBondContact OG-N 2.98Å
76T86.3Confident76Confident95 Ų9567.5 Ų67.558%0.58339%0.391SS*.THydrogen-bonded Turntrans-110.12.5177.963.20000112.6S73S73-T76 PolarHBondContact O-N 2.87Å; S73-T76 PolarHBondContact O-OG1 3.15Å
77K86Confident78.8Confident71 Ų7161.5 Ų61.531%0.30936%0.36SS..  trans-74126.9-178.6-175.2168.1-173.5164.10110.6Y55 S73 Y79Y55-K77 PolarHBondContact OH-NZ 3.43Å; S73-K77 PolarHBondContact O-N 2.68Å; S73-K77 VanDerWaalsContact O-N 3.16Å; K77-Y79 HydrophobicContact CD-CE1 4.12Å; K77-Y79 HydrophobicContact CG-CE1 4.26Å; K77-Y79 HydrophobicContact CG-CE2 4.47Å; K77-Y79 WeakPolarHBondContact O-CE2 3.29Å
78T90.6Very high81.4Confident128 Ų12857.5 Ų57.579%0.78533%0.326SS*.  trans-93.6152.7171.556.30000111
79Y91.5Very high84.2Confident40 Ų4054 Ų5416%0.15730%0.303CS..  trans-118.6150.6-179.4-61.4-81.7000110.1K77 Q188 P189 A192K77-Y79 HydrophobicContact CD-CE1 4.12Å; K77-Y79 HydrophobicContact CG-CE1 4.26Å; K77-Y79 HydrophobicContact CG-CE2 4.47Å; K77-Y79 WeakPolarHBondContact O-CE2 3.29Å; Y79-Q188 HydrophobicContact CD1-CB 4.27Å; Y79-Q188 HydrophobicContact CD2-CB 3.51Å; Y79-Q188 HydrophobicContact CD2-CG 4.37Å; Y79-Q188 HydrophobicContact CE2-CB 4.03Å; Y79-Q188 HydrophobicContact CG-CB 3.67Å; Y79-P189 VanDerWaalsContact CE1-CA 3.45Å; Y79-P189 HydrophobicContact CE1-CB 3.76Å; Y79-P189 HydrophobicContact CE1-CG 3.99Å; Y79-P189 HydrophobicContact CE2-CG 4.43Å; Y79-P189 WeakPolarHBondContact OH-CG 3.25Å; Y79-A192 HydrophobicContact CD1-CB 3.85Å
80P91.7Very high86.8Confident65 Ų6550.1 Ų50.142%0.42228%0.28SS..  trans-62.3157.4177.426.1-32.6000111L83 A192P80-L83 HydrophobicContact CG-CD2 3.92Å; P80-L83 WeakPolarHBondContact O-CD2 3.5Å; P80-L83 VanDerWaalsContact O-CG 3.27Å; P80-L83 WeakPolarHBondContact O-CG 3.45Å; P80-A192 HydrophobicContact CG-CB 4.22Å
81S92.6Very high89.2Confident96 Ų9644.3 Ų44.367%0.67126%0.258SS*.SBendtrans-139.9138.2173.3-176.50000109.2Y115S81-Y115 PolarHBondContact OG-OH 3.4Å; S81-Y115 VanDerWaalsContact OG-OH 3.13Å
82P94.5Very high91.4Very high101 Ų10141.8 Ų41.866%0.65624%0.242SC*.SBendcis-73.7158.8-1.132.1-35.5000113Q195P82-Q195 PolarHBondContact O-NE2 3.24Å
83L97.3Very high93.2Very high10 Ų1038.9 Ų38.95%0.05222%0.224CC..  trans-105.2156.8170.2-68.7174.1000110.5P80 Y115 Q188 L191 A192P80-L83 HydrophobicContact CG-CD2 3.92Å; P80-L83 WeakPolarHBondContact O-CD2 3.5Å; P80-L83 VanDerWaalsContact O-CG 3.27Å; P80-L83 WeakPolarHBondContact O-CG 3.45Å; L83-Y115 HydrophobicContact CB-CD1 4.21Å; L83-Y115 HydrophobicContact CB-CD2 4.04Å; L83-Y115 HydrophobicContact CB-CE1 4.13Å; L83-Y115 HydrophobicContact CB-CE2 3.98Å; L83-Y115 HydrophobicContact CB-CG 4.2Å; L83-Y115 HydrophobicContact CD1-CD2 4.09Å; L83-Y115 HydrophobicContact CD1-CE2 3.71Å; L83-Y115 HydrophobicContact CG-CE2 4.1Å; L83-Q188 HydrophobicContact CD1-CB 4.14Å; L83-Q188 HydrophobicContact CD1-CG 4.25Å; L83-L191 HydrophobicContact CB-CB 4.09Å; L83-L191 HydrophobicContact CB-CD1 4.24Å; L83-L191 HydrophobicContact CD1-CB 4.09Å; L83-L191 HydrophobicContact CD2-CB 4.39Å; L83-L191 HydrophobicContact CG-CB 4.42Å; L83-A192 HydrophobicContact CD2-CB 3.99Å
84P97.6Very high94.2Very high18 Ų1840.1 Ų40.112%0.11723%0.23CC..  trans-58.1146.8174.9-23.133.1000112.4E171 V172 Q195P84-E171 HydrophobicContact CB-CB 4.32Å; P84-V172 HydrophobicContact CB-CG2 4.01Å; P84-Q195 HydrophobicContact CG-CB 3.93Å; P84-Q195 HydrophobicContact CG-CG 4.42Å
85T98.2Very high94.7Very high42 Ų4240.1 Ų40.126%0.25823%0.23SC..  trans-72.1151.717757.20000112.5Y115 T117 E171 V172T85-Y115 CarbonylContact C-O 3.53Å; T85-Y115 VanDerWaalsContact CA-O 3.27Å; T85-Y115 WeakPolarHBondContact CA-O 3.37Å; T85-T117 WeakPolarHBondContact CB-OG1 3.22Å; T85-E171 PolarHBondContact N-OE2 2.8Å; T85-E171 PolarHBondContact O-N 3.3Å; T85-E171 PolarHBondContact OG1-N 3.01Å; T85-E171 PolarHBondContact OG1-OE2 3.35Å; T85-V172 WeakPolarHBondContact O-CB 3.39Å; T85-V172 PolarHBondContact O-N 3.14Å
86V98.5Very high95.1Very high0 Ų036.5 Ų36.50%021%0.214CC..EExtended strand (participates in β ladder)trans-130.7138.6-178.166.50000113.6I88 Y115 V116 T117 V172 L174 L187 L191V86-I88 HydrophobicContact CG1-CG1 4.25Å; V86-I88 HydrophobicContact CG2-CG1 4.22Å; V86-Y115 PolarHBondContact N-O 2.95Å; V86-V116 HydrophobicContact CG1-CG2 4.09Å; V86-T117 PolarHBondContact O-N 3.45Å; V86-V172 WeakPolarHBondContact CA-O 3.23Å; V86-V172 HydrophobicContact CB-CB 4.25Å; V86-V172 HydrophobicContact CG2-CB 4.16Å; V86-V172 HydrophobicContact CG2-CG1 4.06Å; V86-L174 HydrophobicContact CG2-CB 3.5Å; V86-L174 VanDerWaalsContact CG2-CB 3.5Å; V86-L174 HydrophobicContact CG2-CD1 4.27Å; V86-L187 HydrophobicContact CG1-CD1 4.24Å; V86-L187 HydrophobicContact CG1-CD2 4.01Å; V86-L191 HydrophobicContact CB-CD2 4.13Å
87S98.8Very high95.6Very high0 Ų033.7 Ų33.70%020%0.197CC..EExtended strand (participates in β ladder)trans-102114.1165.1-69.30000107.7E118 A168 T169 A170 V172 L174S87-E118 WeakPolarHBondContact OG-CG 3.29Å; S87-E118 PolarHBondContact OG-OE1 3Å; S87-A168 VanDerWaalsContact CB-CB 3.49Å; S87-T169 PolarHBondContact OG-N 3.32Å; S87-A170 VanDerWaalsContact OG-CB 3.26Å; S87-A170 WeakPolarHBondContact OG-CB 3.43Å; S87-A170 PolarHBondContact OG-N 2.82Å; S87-A170 VanDerWaalsContact OG-N 3.14Å; S87-V172 PolarHBondContact N-O 3.2Å; S87-L174 PolarHBondContact O-N 2.92Å
88I98.8Very high96.1Very high0 Ų030.4 Ų30.40%018%0.183CC..EExtended strand (participates in β ladder)trans-89.7118179.4-59.8175.8000108.3V86 I90 I107 V116 E118 I119 L120 L174 L176 W186V86-I88 HydrophobicContact CG1-CG1 4.25Å; V86-I88 HydrophobicContact CG2-CG1 4.22Å; I88-I90 HydrophobicContact CG2-CD1 4.44Å; I88-I90 HydrophobicContact CG2-CG1 4.19Å; I88-I107 HydrophobicContact CD1-CG2 3.6Å; I88-I107 HydrophobicContact CG2-CD1 4.26Å; I88-V116 HydrophobicContact CD1-CG1 4.12Å; I88-V116 HydrophobicContact CD1-CG2 4.1Å; I88-E118 PolarHBondContact N-O 3.42Å; I88-I119 HydrophobicContact CB-CG1 4.31Å; I88-I119 HydrophobicContact CD1-CG1 4.43Å; I88-I119 CarbonylContact O-C 3.18Å; I88-I119 WeakPolarHBondContact O-CA 3.49Å; I88-L120 PolarHBondContact O-N 3.32Å; I88-L174 CarbonylContact C-O 3.37Å; I88-L174 WeakPolarHBondContact CA-O 3Å; I88-L174 HydrophobicContact CG1-CD2 4.39Å; I88-L174 HydrophobicContact CG2-CD2 4.13Å; I88-L176 HydrophobicContact CG2-CD1 3.94Å; I88-L176 HydrophobicContact CG2-CG 4.46Å; I88-W186 HydrophobicContact CD1-CH2 4.24Å; I88-W186 HydrophobicContact CD1-CZ2 4.19Å
89I98.7Very high96.4Very high1 Ų124.4 Ų24.41%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-107.8117-173.9-60.3162.5000109L120 L122 A168 L173 L174 F175 L176I89-L120 HydrophobicContact CG1-CD1 4.31Å; I89-L122 HydrophobicContact CG2-CD1 3.58Å; I89-A168 HydrophobicContact CD1-CB 4.25Å; I89-L173 HydrophobicContact CD1-CB 4.37Å; I89-L173 HydrophobicContact CD1-CD2 4.22Å; I89-L174 PolarHBondContact N-O 3.31Å; I89-F175 HydrophobicContact CB-CD1 3.8Å; I89-F175 HydrophobicContact CB-CE1 4.01Å; I89-F175 HydrophobicContact CD1-CD1 4.12Å; I89-F175 HydrophobicContact CD1-CE1 3.53Å; I89-F175 HydrophobicContact CD1-CZ 3.79Å; I89-F175 HydrophobicContact CG1-CE1 4.39Å; I89-F175 HydrophobicContact CG2-CD1 3.8Å; I89-F175 HydrophobicContact CG2-CE1 3.85Å; I89-F175 WeakPolarHBondContact O-CA 3.47Å; I89-L176 PolarHBondContact O-N 2.93Å
90I98.5Very high96.7Very high0 Ų022.5 Ų22.50%014%0.139CC..EExtended strand (participates in β ladder)trans-119.4105.8-179.6-54.5170.9000107.7I88 L100 M103 V104 I107 I119 L120 L121 L122 L176I88-I90 HydrophobicContact CG2-CD1 4.44Å; I88-I90 HydrophobicContact CG2-CG1 4.19Å; I90-L100 HydrophobicContact CG2-CD1 4.42Å; I90-M103 HydrophobicContact CB-CE 4.24Å; I90-M103 HydrophobicContact CD1-CE 3.55Å; I90-M103 HydrophobicContact CD1-SD 4.03Å; I90-M103 HydrophobicContact CG1-CE 3.57Å; I90-M103 HydrophobicContact CG1-SD 4.42Å; I90-M103 HydrophobicContact CG2-CE 3.7Å; I90-M103 HydrophobicContact CG2-SD 3.71Å; I90-V104 HydrophobicContact CD1-CG2 4.3Å; I90-I107 HydrophobicContact CD1-CD1 3.73Å; I90-I119 HydrophobicContact CD1-CG2 3.7Å; I90-L120 PolarHBondContact N-O 3.46Å; I90-L121 HydrophobicContact CB-CD1 3.99Å; I90-L121 HydrophobicContact CG2-CD1 3.82Å; I90-L122 PolarHBondContact O-N 3.43Å; I90-L176 HydrophobicContact CG1-CB 4.43Å
91C97.4Very high97Very high9 Ų919.6 Ų19.66%0.06112%0.12CC..EExtended strand (participates in β ladder)trans-95133.4174.6-60.50000109.6L157 A160C91-L157 HydrophobicContact CB-CD1 4.01Å; C91-A160 HydrophobicContact CB-CB 4.09Å
92H96.8Very high97.2Very high6 Ų615.2 Ų15.23%0.0289%0.089CC..EExtended strand (participates in β ladder)trans-145.9155.717967.2-82.1000112E95 L100 L121 L122 D123 D124 T130 S178H92-E95 HydrophobicContact CB-CB 4.21Å; H92-L100 HydrophobicContact CB-CD1 4.43Å; H92-L121 WeakPolarHBondContact ND1-CD1 3.37Å; H92-L122 PolarHBondContact N-O 2.95Å; H92-L122 PolarHBondContact ND1-O 3.17Å; H92-D123 VanDerWaalsContact CE1-CA 3.49Å; H92-D123 WeakPolarHBondContact CE1-CA 3.42Å; H92-D123 PolarHBondContact CE1-N 3.01Å; H92-D124 WeakPolarHBondContact O-CB 3.35Å; H92-D124 PolarHBondContact O-N 2.98Å; H92-T130 PolarHBondContact CD2-OG1 2.96Å; H92-T130 WeakPolarHBondContact NE2-CB 3.15Å; H92-T130 WeakPolarHBondContact NE2-CG2 3.37Å; H92-T130 PolarHBondContact NE2-OG1 3.41Å; H92-S178 VanDerWaalsContact CB-CB 3.43Å
93Y95.7Very high97.4Very high46 Ų4610.4 Ų10.418%0.186%0.057CC..SBendtrans-142.6130.1171.3170.2-101000108.7E95 D124 Y125 S126 R154 Y301Y93-E95 PolarHBondContact O-N 3.43Å; Y93-E95 VanDerWaalsContact O-N 3.17Å; Y93-D124 WeakPolarHBondContact CD2-O 3.42Å; Y93-Y125 WeakPolarHBondContact CE2-O 3.45Å; Y93-S126 WeakPolarHBondContact CA-OG 3.44Å; Y93-R154 VanDerWaalsContact CB-NH2 3.29Å; Y93-R154 VanDerWaalsContact CD1-NH2 3.3Å; Y93-R154 VanDerWaalsContact CD2-NH1 3.32Å; Y93-R154 VanDerWaalsContact CE2-NH1 3.29Å; Y93-R154 VanDerWaalsContact CG-NH2 3.29Å; Y93-Y301 AromaticContact CD1-CD1 3.37Å; Y93-Y301 HydrophobicContact CD1-CD1 3.37Å; Y93-Y301 HydrophobicContact CD1-CD2 4.45Å; Y93-Y301 AromaticContact CD1-CE1 3.66Å; Y93-Y301 HydrophobicContact CD1-CE1 3.66Å; Y93-Y301 AromaticContact CD1-CG 3.77Å; Y93-Y301 HydrophobicContact CD1-CG 3.77Å; Y93-Y301 AromaticContact CE1-CD1 3.66Å; Y93-Y301 HydrophobicContact CE1-CD1 3.66Å; Y93-Y301 HydrophobicContact CE1-CE1 4.34Å; Y93-Y301 HydrophobicContact CE1-CG 4.05Å; Y93-Y301 WeakPolarHBondContact O-CE1 3.46Å; Y93-Y301 PolarHBondContact O-OH 3.24Å
94N95Very high97.4Very high38 Ų3810 Ų1020%0.2036%0.055CC..SBendtrans42.851.3179.2-701.4000112Y31 S126 E127 Y301Y31-N94 VanDerWaalsContact CD1-O 3.28Å; Y31-N94 WeakPolarHBondContact CD1-O 3.5Å; Y31-N94 WeakPolarHBondContact CE1-O 3.28Å; N94-S126 PolarHBondContact N-OG 3.2Å; N94-S126 WeakPolarHBondContact OD1-CA 3.37Å; N94-S126 VanDerWaalsContact OD1-CB 3.31Å; N94-S126 WeakPolarHBondContact OD1-CB 3.24Å; N94-E127 PolarHBondContact OD1-N 2.93Å; N94-Y301 HydrophobicContact CB-CD1 4.43Å; N94-Y301 HydrophobicContact CB-CE1 4.19Å
95E96.1Very high97.5Very high0 Ų09.4 Ų9.40%05%0.051CC..  trans-85.3151.7-179-172.558-86.900111.2Y31 H92 Y93 L100 Q133 S178 H179 R296Y31-E95 VanDerWaalsContact CE1-C 3.45Å; H92-E95 HydrophobicContact CB-CB 4.21Å; Y93-E95 PolarHBondContact O-N 3.43Å; Y93-E95 VanDerWaalsContact O-N 3.17Å; E95-L100 HydrophobicContact CG-CB 4.1Å; E95-L100 HydrophobicContact CG-CD1 4.38Å; E95-Q133 PolarHBondContact O-NE2 2.98Å; E95-Q133 PolarHBondContact O-OE1 3.01Å; E95-S178 PolarHBondContact OE2-OG 3.15Å; E95-H179 IonicContact OE2-ND1 3.83Å; E95-H179 PolarHBondContact OE2-ND1 3.36Å; E95-R296 VanDerWaalsContact CD-NH2 3.27Å; E95-R296 IonicContact OE1-NH2 3.68Å; E95-R296 PolarHBondContact OE1-NH2 3.1Å; E95-R296 VanDerWaalsContact OE1-NH2 3.14Å; E95-R296 IonicContact OE2-CZ 3.15Å; E95-R296 IonicContact OE2-NH2 2.76Å; E95-R296 PolarHBondContact OE2-NH2 2.95Å
96A96Very high97.5Very high0 Ų07.6 Ų7.60%04%0.04CC..  trans-66.8127.7173.800000109.9Y31 F33 V35 S98 V99 L100Y31-A96 HydrophobicContact CD1-CB 3.91Å; Y31-A96 HydrophobicContact CD2-CB 4.23Å; Y31-A96 HydrophobicContact CE1-CB 4.06Å; Y31-A96 VanDerWaalsContact CE1-N 3.32Å; Y31-A96 HydrophobicContact CE2-CB 4.34Å; Y31-A96 HydrophobicContact CG-CB 3.99Å; F33-A96 HydrophobicContact CE2-CB 3.83Å; F33-A96 HydrophobicContact CZ-CB 3.68Å; V35-A96 HydrophobicContact CG2-CB 4.2Å; A96-S98 VanDerWaalsContact C-N 3.28Å; A96-S98 PolarHBondContact O-N 3.01Å; A96-V99 HydrophobicContact CB-CB 4.32Å; A96-V99 HydrophobicContact CB-CG2 4.06Å; A96-V99 PolarHBondContact O-N 3.34Å; A96-L100 PolarHBondContact O-N 2.68Å
97P96.2Very high97.5Very high37 Ų377.6 Ų7.624%0.244%0.04CC..Hα-helixtrans-56.3-41.9-177.2-28.837.4000112.9V99 L100 I101 Q133 L134P97-V99 PolarHBondContact O-N 2.89Å; P97-L100 PolarHBondContact O-N 3.34Å; P97-I101 HydrophobicContact CB-CD1 4.48Å; P97-I101 VanDerWaalsContact O-CB 3.25Å; P97-I101 WeakPolarHBondContact O-CB 3.22Å; P97-I101 WeakPolarHBondContact O-CD1 3.43Å; P97-I101 WeakPolarHBondContact O-CG1 3.44Å; P97-I101 PolarHBondContact O-N 2.81Å; P97-Q133 VanDerWaalsContact CG-CD 3.49Å; P97-Q133 HydrophobicContact CG-CG 3.65Å; P97-Q133 VanDerWaalsContact CG-NE2 3.31Å; P97-L134 HydrophobicContact CB-CD2 4.3Å
98S96.7Very high97.4Very high2 Ų28.9 Ų8.91%0.0145%0.047CC..Hα-helixtrans-60.3-34.2-179.958.40000113.2S38 N39 A96 R102S38-S98 WeakPolarHBondContact OG-CB 3.46Å; S38-S98 PolarHBondContact OG-OG 3.44Å; N39-S98 WeakPolarHBondContact OD1-CB 3.44Å; N39-S98 PolarHBondContact OD1-OG 2.5Å; N39-S98 VanDerWaalsContact OD1-OG 3.13Å; A96-S98 VanDerWaalsContact C-N 3.28Å; A96-S98 PolarHBondContact O-N 3.01Å; S98-R102 VanDerWaalsContact O-CB 3.23Å; S98-R102 WeakPolarHBondContact O-CB 3.31Å; S98-R102 PolarHBondContact O-N 3.38Å; S98-R102 PolarHBondContact O-NH1 3.15Å
99V97.4Very high97.3Very high2 Ų214.3 Ų14.31%0.0127%0.072CC..Hα-helixtrans-80.2-47.9-179.1176.70000109.9F33 S38 A96 P97 I101 R102 M103 H179 F214F33-V99 HydrophobicContact CE2-CG2 3.71Å; F33-V99 HydrophobicContact CZ-CB 4.48Å; F33-V99 HydrophobicContact CZ-CG2 3.74Å; S38-V99 VanDerWaalsContact OG-CG2 3.3Å; S38-V99 WeakPolarHBondContact OG-CG2 3.41Å; A96-V99 HydrophobicContact CB-CB 4.32Å; A96-V99 HydrophobicContact CB-CG2 4.06Å; A96-V99 PolarHBondContact O-N 3.34Å; P97-V99 PolarHBondContact O-N 2.89Å; V99-I101 VanDerWaalsContact C-N 3.33Å; V99-I101 PolarHBondContact O-N 3.44Å; V99-R102 PolarHBondContact O-N 3.33Å; V99-M103 WeakPolarHBondContact O-CB 3.15Å; V99-M103 PolarHBondContact O-N 3.26Å; V99-H179 VanDerWaalsContact CG1-CA 3.42Å; V99-H179 HydrophobicContact CG1-CB 3.45Å; V99-H179 VanDerWaalsContact CG1-CB 3.45Å; V99-F214 HydrophobicContact CG2-CE1 3.83Å; V99-F214 HydrophobicContact CG2-CZ 4.01Å
100L97.8Very high97.3Very high0 Ų015.4 Ų15.40%08%0.076CC..Hα-helixtrans-60.7-43.2178.7-166.262000111.8I90 H92 E95 A96 P97 M103 V104 L121 T130I90-L100 HydrophobicContact CG2-CD1 4.42Å; H92-L100 HydrophobicContact CB-CD1 4.43Å; E95-L100 HydrophobicContact CG-CB 4.1Å; E95-L100 HydrophobicContact CG-CD1 4.38Å; A96-L100 PolarHBondContact O-N 2.68Å; P97-L100 PolarHBondContact O-N 3.34Å; L100-M103 PolarHBondContact O-N 3.02Å; L100-V104 WeakPolarHBondContact O-CG2 3.26Å; L100-V104 PolarHBondContact O-N 3.12Å; L100-V104 VanDerWaalsContact O-N 3.13Å; L100-L121 HydrophobicContact CD1-CD1 3.83Å; L100-L121 HydrophobicContact CD2-CD1 4.32Å; L100-L121 HydrophobicContact CD2-CD2 4.31Å; L100-L121 HydrophobicContact CG-CD1 4.29Å; L100-T130 HydrophobicContact CD2-CG2 3.63Å
101I98.1Very high97.2Very high4 Ų416 Ų162%0.0218%0.08CC..Hα-helixtrans-62.9-48.9177.3-70.3167.4000110.7F43 P97 V99 M103 V104 N105 L134 Y137 W142F43-I101 HydrophobicContact CB-CG2 3.55Å; F43-I101 HydrophobicContact CD1-CB 3.99Å; F43-I101 HydrophobicContact CD1-CD1 4.08Å; F43-I101 HydrophobicContact CD1-CG2 3.75Å; F43-I101 HydrophobicContact CD2-CD1 4.4Å; F43-I101 HydrophobicContact CD2-CG2 4Å; F43-I101 HydrophobicContact CE1-CB 4.43Å; F43-I101 HydrophobicContact CE1-CD1 3.71Å; F43-I101 HydrophobicContact CE1-CG2 4.47Å; F43-I101 HydrophobicContact CE2-CD1 4.02Å; F43-I101 HydrophobicContact CG-CB 4.25Å; F43-I101 HydrophobicContact CG-CD1 4.43Å; F43-I101 HydrophobicContact CG-CG2 3.48Å; F43-I101 VanDerWaalsContact CG-CG2 3.48Å; F43-I101 HydrophobicContact CZ-CD1 3.66Å; P97-I101 HydrophobicContact CB-CD1 4.48Å; P97-I101 VanDerWaalsContact O-CB 3.25Å; P97-I101 WeakPolarHBondContact O-CB 3.22Å; P97-I101 WeakPolarHBondContact O-CD1 3.43Å; P97-I101 WeakPolarHBondContact O-CG1 3.44Å; P97-I101 PolarHBondContact O-N 2.81Å; V99-I101 VanDerWaalsContact C-N 3.33Å; V99-I101 PolarHBondContact O-N 3.44Å; I101-M103 VanDerWaalsContact C-N 3.28Å; I101-M103 PolarHBondContact O-N 3.32Å; I101-V104 PolarHBondContact O-N 2.76Å; I101-N105 WeakPolarHBondContact O-CB 2.89Å; I101-N105 VanDerWaalsContact O-CG 3.27Å; I101-N105 PolarHBondContact O-N 2.66Å; I101-L134 HydrophobicContact CD1-CD2 3.81Å; I101-L134 HydrophobicContact CG1-CD2 3.58Å; I101-Y137 HydrophobicContact CB-CE1 4.38Å; I101-Y137 HydrophobicContact CD1-CD1 3.96Å; I101-Y137 HydrophobicContact CD1-CE1 4.46Å; I101-Y137 HydrophobicContact CD1-CG 4.15Å; I101-Y137 HydrophobicContact CG1-CD1 4.03Å; I101-Y137 HydrophobicContact CG1-CE1 4.3Å; I101-Y137 HydrophobicContact CG2-CD1 3.82Å; I101-Y137 HydrophobicContact CG2-CE1 3.22Å; I101-W142 HydrophobicContact CB-CZ2 4.38Å; I101-W142 HydrophobicContact CG1-CH2 4.47Å; I101-W142 HydrophobicContact CG1-CZ2 4.24Å; I101-W142 HydrophobicContact CG2-CZ2 4.32Å
102R97.4Very high97.2Very high4 Ų416.4 Ų16.42%0.0158%0.083CC..Hα-helixtrans-63.1-36.2-178.6-175.4168.759.9-88.9-9.8112S38 G42 F43 S98 V99 S106 E181 F214S38-R102 PolarHBondContact O-NH1 2.75Å; S38-R102 PolarHBondContact OG-NH1 2.91Å; S38-R102 VanDerWaalsContact OG-NH1 3.11Å; S38-R102 PolarHBondContact OG-NH2 3.39Å; G42-R102 WeakPolarHBondContact O-CD 3.31Å; G42-R102 PolarHBondContact O-NH1 3.01Å; F43-R102 WeakPolarHBondContact O-CA 3.19Å; S98-R102 VanDerWaalsContact O-CB 3.23Å; S98-R102 WeakPolarHBondContact O-CB 3.31Å; S98-R102 PolarHBondContact O-N 3.38Å; S98-R102 PolarHBondContact O-NH1 3.15Å; V99-R102 PolarHBondContact O-N 3.33Å; R102-S106 WeakPolarHBondContact O-CB 3.36Å; R102-S106 PolarHBondContact O-N 3.32Å; R102-E181 WeakPolarHBondContact CD-OE1 3.4Å; R102-E181 WeakPolarHBondContact CD-OE2 3.4Å; R102-E181 HydrophobicContact CG-CG 4.13Å; R102-E181 IonicContact CZ-OE1 3.89Å; R102-E181 VanDerWaalsContact NE-CD 3.34Å; R102-E181 IonicContact NE-OE1 3.48Å; R102-E181 PolarHBondContact NE-OE1 3.25Å; R102-E181 IonicContact NE-OE2 3.15Å; R102-E181 IonicContact NH2-OE1 3.92Å; R102-F214 VanDerWaalsContact NH2-CD1 3.35Å; R102-F214 VanDerWaalsContact NH2-CE1 3.29Å
103M97.9Very high97.3Very high0 Ų018.1 Ų18.10%09%0.091CC..Hα-helixtrans-59.5-56.6173.1178.4-168.3-177.100111.6I90 V99 L100 I101 N105 S106 I107 L176 D177 S178 C180I90-M103 HydrophobicContact CB-CE 4.24Å; I90-M103 HydrophobicContact CD1-CE 3.55Å; I90-M103 HydrophobicContact CD1-SD 4.03Å; I90-M103 HydrophobicContact CG1-CE 3.57Å; I90-M103 HydrophobicContact CG1-SD 4.42Å; I90-M103 HydrophobicContact CG2-CE 3.7Å; I90-M103 HydrophobicContact CG2-SD 3.71Å; V99-M103 WeakPolarHBondContact O-CB 3.15Å; V99-M103 PolarHBondContact O-N 3.26Å; L100-M103 PolarHBondContact O-N 3.02Å; I101-M103 VanDerWaalsContact C-N 3.28Å; I101-M103 PolarHBondContact O-N 3.32Å; M103-N105 VanDerWaalsContact C-N 3.29Å; M103-N105 PolarHBondContact O-N 3.43Å; M103-S106 PolarHBondContact O-N 3.09Å; M103-S106 VanDerWaalsContact O-N 3.08Å; M103-S106 PolarHBondContact O-OG 2.75Å; M103-I107 HydrophobicContact CE-CD1 4.21Å; M103-I107 HydrophobicContact CG-CD1 4.27Å; M103-I107 WeakPolarHBondContact O-CG1 3.27Å; M103-I107 PolarHBondContact O-N 3.48Å; M103-I107 VanDerWaalsContact O-N 3.11Å; M103-L176 HydrophobicContact CE-CB 3.25Å; M103-L176 HydrophobicContact CE-CD1 3.86Å; M103-L176 HydrophobicContact CE-CG 4.19Å; M103-D177 WeakPolarHBondContact CE-O 3.29Å; M103-S178 WeakPolarHBondContact SD-CA 3.28Å; M103-C180 WeakPolarHBondContact CA-O 3.05Å; M103-C180 WeakPolarHBondContact CB-O 3.27Å; M103-C180 HydrophobicContact CE-CB 4.45Å; M103-C180 VanDerWaalsContact CG-O 3.25Å; M103-C180 WeakPolarHBondContact CG-O 3.37Å
104V98.3Very high97.3Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-60.8-42.3-178.8175.30000110.6I90 L100 I101 S106 I107 L108 W142 V146I90-V104 HydrophobicContact CD1-CG2 4.3Å; L100-V104 WeakPolarHBondContact O-CG2 3.26Å; L100-V104 PolarHBondContact O-N 3.12Å; L100-V104 VanDerWaalsContact O-N 3.13Å; I101-V104 PolarHBondContact O-N 2.76Å; V104-S106 VanDerWaalsContact C-N 3.34Å; V104-S106 PolarHBondContact O-N 3.11Å; V104-I107 PolarHBondContact O-N 2.88Å; V104-L108 HydrophobicContact CG1-CD1 3.95Å; V104-L108 HydrophobicContact CG1-CG 4.31Å; V104-L108 WeakPolarHBondContact O-CG 3.34Å; V104-L108 PolarHBondContact O-N 3.28Å; V104-W142 HydrophobicContact CB-CH2 3.82Å; V104-W142 HydrophobicContact CB-CZ2 3.51Å; V104-W142 HydrophobicContact CB-CZ3 4.44Å; V104-W142 HydrophobicContact CG1-CD2 3.74Å; V104-W142 VanDerWaalsContact CG1-CE2 3.47Å; V104-W142 HydrophobicContact CG1-CE3 4.09Å; V104-W142 HydrophobicContact CG1-CG 4.28Å; V104-W142 HydrophobicContact CG1-CH2 3.98Å; V104-W142 HydrophobicContact CG1-CZ2 3.64Å; V104-W142 HydrophobicContact CG1-CZ3 4.18Å; V104-W142 HydrophobicContact CG2-CH2 3.78Å; V104-W142 HydrophobicContact CG2-CZ2 4.02Å; V104-W142 HydrophobicContact CG2-CZ3 4.27Å; V104-V146 HydrophobicContact CG1-CG1 4.24Å; V104-V146 HydrophobicContact CG1-CG2 4.02Å
105N98.3Very high97.5Very high6 Ų621.9 Ų21.93%0.03211%0.108CC..Hα-helixtrans-60.6-42174.8-73-11000112.1F43 I101 M103 I107 L108 H109 Y137 W142F43-N105 WeakPolarHBondContact O-CB 3.37Å; F43-N105 PolarHBondContact O-ND2 2.67Å; I101-N105 WeakPolarHBondContact O-CB 2.89Å; I101-N105 VanDerWaalsContact O-CG 3.27Å; I101-N105 PolarHBondContact O-N 2.66Å; M103-N105 VanDerWaalsContact C-N 3.29Å; M103-N105 PolarHBondContact O-N 3.43Å; N105-I107 VanDerWaalsContact C-N 3.29Å; N105-I107 PolarHBondContact O-N 3.24Å; N105-L108 PolarHBondContact O-N 3.08Å; N105-H109 WeakPolarHBondContact O-CB 3.39Å; N105-H109 PolarHBondContact O-N 2.95Å; N105-H109 PolarHBondContact O-ND1 3.4Å; N105-Y137 PolarHBondContact ND2-OH 3.42Å; N105-W142 PolarHBondContact OD1-NE1 2.88Å
106S98.2Very high97.6Very high4 Ų421.9 Ų21.93%0.02811%0.108CC..Hα-helixtrans-60.2-40.6177.775.30000111.8R102 M103 V104 H109 R110 V182R102-S106 WeakPolarHBondContact O-CB 3.36Å; R102-S106 PolarHBondContact O-N 3.32Å; M103-S106 PolarHBondContact O-N 3.09Å; M103-S106 VanDerWaalsContact O-N 3.08Å; M103-S106 PolarHBondContact O-OG 2.75Å; V104-S106 VanDerWaalsContact C-N 3.34Å; V104-S106 PolarHBondContact O-N 3.11Å; S106-H109 PolarHBondContact O-N 3.24Å; S106-R110 WeakPolarHBondContact O-CB 3.14Å; S106-R110 PolarHBondContact O-N 3.42Å; S106-V182 VanDerWaalsContact C-CG2 3.48Å; S106-V182 WeakPolarHBondContact O-CG2 3.42Å; S106-V182 PolarHBondContact OG-N 3.41Å
107I98.6Very high97.7Very high0 Ų024.1 Ų24.10%012%0.122CC..Hα-helixtrans-64.7-50.2176.9-63.6163000110.3I88 I90 M103 V104 N105 H109 R110 S111 I119 L176 V182 W186I88-I107 HydrophobicContact CD1-CG2 3.6Å; I88-I107 HydrophobicContact CG2-CD1 4.26Å; I90-I107 HydrophobicContact CD1-CD1 3.73Å; M103-I107 HydrophobicContact CE-CD1 4.21Å; M103-I107 HydrophobicContact CG-CD1 4.27Å; M103-I107 WeakPolarHBondContact O-CG1 3.27Å; M103-I107 PolarHBondContact O-N 3.48Å; M103-I107 VanDerWaalsContact O-N 3.11Å; V104-I107 PolarHBondContact O-N 2.88Å; N105-I107 VanDerWaalsContact C-N 3.29Å; N105-I107 PolarHBondContact O-N 3.24Å; I107-H109 PolarHBondContact O-N 3.13Å; I107-R110 PolarHBondContact O-N 3.27Å; I107-S111 WeakPolarHBondContact O-CB 3.48Å; I107-S111 PolarHBondContact O-N 2.86Å; I107-S111 PolarHBondContact O-OG 2.98Å; I107-I119 HydrophobicContact CG2-CD1 3.84Å; I107-I119 HydrophobicContact CG2-CG1 4.29Å; I107-L176 HydrophobicContact CD1-CD1 3.64Å; I107-L176 HydrophobicContact CG1-CD1 4.15Å; I107-V182 HydrophobicContact CG1-CG1 4Å; I107-V182 HydrophobicContact CG1-CG2 4.15Å; I107-W186 HydrophobicContact CG2-CZ2 4.47Å
108L98.1Very high97.8Very high28 Ų2822.5 Ų22.515%0.14711%0.111CC..Hα-helixtrans-59.8-33.2-178.7-70.4172.9000113V104 N105 M113 I119 W142 P143 V146V104-L108 HydrophobicContact CG1-CD1 3.95Å; V104-L108 HydrophobicContact CG1-CG 4.31Å; V104-L108 WeakPolarHBondContact O-CG 3.34Å; V104-L108 PolarHBondContact O-N 3.28Å; N105-L108 PolarHBondContact O-N 3.08Å; L108-M113 HydrophobicContact CD2-CE 3.88Å; L108-M113 HydrophobicContact CD2-SD 4.19Å; L108-I119 HydrophobicContact CD2-CD1 3.68Å; L108-I119 HydrophobicContact CG-CD1 4.25Å; L108-W142 HydrophobicContact CD1-CB 4.46Å; L108-W142 HydrophobicContact CD1-CG 4.08Å; L108-P143 HydrophobicContact CD2-CG 3.67Å; L108-V146 HydrophobicContact CD1-CG2 4.27Å; L108-V146 HydrophobicContact CD2-CG2 4.11Å
109H96.8Very high97.9Very high114 Ų11422.4 Ų22.453%0.52811%0.111SC..Hα-helixtrans-90.5-29.2-176.8-70.581.2000114N105 S106 I107N105-H109 WeakPolarHBondContact O-CB 3.39Å; N105-H109 PolarHBondContact O-N 2.95Å; N105-H109 PolarHBondContact O-ND1 3.4Å; S106-H109 PolarHBondContact O-N 3.24Å; I107-H109 PolarHBondContact O-N 3.13Å
110R97.4Very high98Very high24 Ų2422.3 Ų22.39%0.09111%0.11CC..Hα-helixtrans-111.29.1-174.1-64.4-172.3-178.1106.116114.3R45 I47 S106 I107 V182 E184R45-R110 PolarHBondContact O-NH2 3.32Å; I47-R110 VanDerWaalsContact CD1-NH1 3.32Å; S106-R110 WeakPolarHBondContact O-CB 3.14Å; S106-R110 PolarHBondContact O-N 3.42Å; I107-R110 PolarHBondContact O-N 3.27Å; R110-V182 HydrophobicContact CB-CG2 4.17Å; R110-V182 WeakPolarHBondContact CD-O 3.22Å; R110-V182 PolarHBondContact NH1-O 2.76Å; R110-E184 WeakPolarHBondContact CD-OE1 3.27Å; R110-E184 IonicContact CZ-OE1 2.9Å; R110-E184 IonicContact NE-OE1 3.85Å; R110-E184 PolarHBondContact NE-OE1 3.18Å
111S98Very high98Very high11 Ų1122.3 Ų22.38%0.07711%0.11CC..SBendtrans-112.4138.3175.4-45.90000110.3I107 M113 W186I107-S111 WeakPolarHBondContact O-CB 3.48Å; I107-S111 PolarHBondContact O-N 2.86Å; I107-S111 PolarHBondContact O-OG 2.98Å; S111-M113 PolarHBondContact O-N 2.88Å; S111-W186 PolarHBondContact OG-NE1 2.89Å
112P97Very high98Very high19 Ų1922.2 Ų22.212%0.12311%0.11CC..  trans-63.1100165.226.9-35.1000109.5E114 Y115 Q188P112-E114 WeakPolarHBondContact CA-OE2 3Å; P112-E114 HydrophobicContact CB-CG 4.4Å; P112-E114 WeakPolarHBondContact CB-OE2 3.03Å; P112-E114 PolarHBondContact O-N 3.44Å; P112-E114 VanDerWaalsContact O-N 3.12Å; P112-Y115 HydrophobicContact CB-CD2 3.76Å; P112-Y115 HydrophobicContact CB-CE2 3.89Å; P112-Y115 HydrophobicContact CG-CD2 3.39Å; P112-Y115 HydrophobicContact CG-CE2 3.78Å; P112-Y115 HydrophobicContact CG-CG 4.4Å; P112-Y115 PolarHBondContact O-N 2.72Å; P112-Q188 HydrophobicContact CG-CG 4.14Å
113M97.5Very high98Very high42 Ų4222.3 Ų22.321%0.20711%0.11CC..THydrogen-bonded Turntrans-67.4-13.3-171-70.3-54.6-57.900113.2L108 S111 Y115 V116 I119 K145L108-M113 HydrophobicContact CD2-CE 3.88Å; L108-M113 HydrophobicContact CD2-SD 4.19Å; S111-M113 PolarHBondContact O-N 2.88Å; M113-Y115 VanDerWaalsContact C-N 3.28Å; M113-Y115 PolarHBondContact O-N 2.83Å; M113-V116 HydrophobicContact CE-CB 3.82Å; M113-V116 HydrophobicContact CE-CG1 3.9Å; M113-V116 HydrophobicContact CE-CG2 4.36Å; M113-V116 PolarHBondContact O-N 2.7Å; M113-V116 HydrophobicContact SD-CB 4.19Å; M113-V116 HydrophobicContact SD-CG2 4.09Å; M113-I119 HydrophobicContact CE-CD1 4.35Å; M113-K145 HydrophobicContact CE-CB 4.47Å; M113-K145 HydrophobicContact CE-CD 3.76Å; M113-K145 PolarHBondContact O-NZ 3.37Å
114E97.2Very high98Very high132 Ų13222.5 Ų22.562%0.61711%0.111SC*.THydrogen-bonded Turntrans-62.8-30.7169.262.4-89.4-147.500113.1P112P112-E114 WeakPolarHBondContact CA-OE2 3Å; P112-E114 HydrophobicContact CB-CG 4.4Å; P112-E114 WeakPolarHBondContact CB-OE2 3.03Å; P112-E114 PolarHBondContact O-N 3.44Å; P112-E114 VanDerWaalsContact O-N 3.12Å
115Y98Very high97.9Very high30 Ų3028 Ų2812%0.11813%0.133CC..THydrogen-bonded Turntrans-89.9-17.6177.4-52.2-38.3000112.6S81 L83 T85 V86 P112 M113 T117 L191S81-Y115 PolarHBondContact OG-OH 3.4Å; S81-Y115 VanDerWaalsContact OG-OH 3.13Å; L83-Y115 HydrophobicContact CB-CD1 4.21Å; L83-Y115 HydrophobicContact CB-CD2 4.04Å; L83-Y115 HydrophobicContact CB-CE1 4.13Å; L83-Y115 HydrophobicContact CB-CE2 3.98Å; L83-Y115 HydrophobicContact CB-CG 4.2Å; L83-Y115 HydrophobicContact CD1-CD2 4.09Å; L83-Y115 HydrophobicContact CD1-CE2 3.71Å; L83-Y115 HydrophobicContact CG-CE2 4.1Å; T85-Y115 CarbonylContact C-O 3.53Å; T85-Y115 VanDerWaalsContact CA-O 3.27Å; T85-Y115 WeakPolarHBondContact CA-O 3.37Å; V86-Y115 PolarHBondContact N-O 2.95Å; P112-Y115 HydrophobicContact CB-CD2 3.76Å; P112-Y115 HydrophobicContact CB-CE2 3.89Å; P112-Y115 HydrophobicContact CG-CD2 3.39Å; P112-Y115 HydrophobicContact CG-CE2 3.78Å; P112-Y115 HydrophobicContact CG-CG 4.4Å; P112-Y115 PolarHBondContact O-N 2.72Å; M113-Y115 VanDerWaalsContact C-N 3.28Å; M113-Y115 PolarHBondContact O-N 2.83Å; Y115-T117 PolarHBondContact O-N 2.93Å; Y115-L191 HydrophobicContact CD2-CD1 4.27Å; Y115-L191 HydrophobicContact CG-CD1 4.41Å
116V98.6Very high97.8Very high1 Ų127.8 Ų27.81%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-85.9107.9179.7-177.80000109.8V86 I88 M113 I119 K145 L187V86-V116 HydrophobicContact CG1-CG2 4.09Å; I88-V116 HydrophobicContact CD1-CG1 4.12Å; I88-V116 HydrophobicContact CD1-CG2 4.1Å; M113-V116 HydrophobicContact CE-CB 3.82Å; M113-V116 HydrophobicContact CE-CG1 3.9Å; M113-V116 HydrophobicContact CE-CG2 4.36Å; M113-V116 PolarHBondContact O-N 2.7Å; M113-V116 HydrophobicContact SD-CB 4.19Å; M113-V116 HydrophobicContact SD-CG2 4.09Å; V116-I119 HydrophobicContact CG1-CD1 4.43Å; V116-I119 HydrophobicContact CG1-CG1 3.89Å; V116-K145 WeakPolarHBondContact O-CD 3.32Å; V116-K145 WeakPolarHBondContact O-CE 3.21Å; V116-K145 PolarHBondContact O-NZ 3.22Å; V116-L187 HydrophobicContact CG2-CD2 3.99Å
117T98.7Very high97.6Very high47 Ų4735.5 Ų35.529%0.28817%0.167SC..EExtended strand (participates in β ladder)trans-69.8-46.6175.1-61.60000110.4T85 V86 Y115T85-T117 WeakPolarHBondContact CB-OG1 3.22Å; V86-T117 PolarHBondContact O-N 3.45Å; Y115-T117 PolarHBondContact O-N 2.93Å
118E98.7Very high97.4Very high3 Ų338.1 Ų38.11%0.01419%0.185CC..EExtended strand (participates in β ladder)trans-159.3152.6-177.161-161.4160.500112.1S87 I88 L120 K145 K147 A168 T169S87-E118 WeakPolarHBondContact OG-CG 3.29Å; S87-E118 PolarHBondContact OG-OE1 3Å; I88-E118 PolarHBondContact N-O 3.42Å; E118-L120 HydrophobicContact CB-CD2 4.32Å; E118-L120 HydrophobicContact CG-CD2 3.96Å; E118-L120 HydrophobicContact CG-CG 3.99Å; E118-K145 CarbonylContact C-O 3.58Å; E118-K145 WeakPolarHBondContact CA-O 3.37Å; E118-K147 HydrophobicContact CB-CD 4.22Å; E118-K147 WeakPolarHBondContact OE2-CE 3.24Å; E118-K147 IonicContact OE2-NZ 2.93Å; E118-K147 PolarHBondContact OE2-NZ 3.06Å; E118-A168 VanDerWaalsContact OE1-CA 3.32Å; E118-A168 WeakPolarHBondContact OE1-CA 3.46Å; E118-T169 PolarHBondContact OE1-N 2.87Å; E118-T169 PolarHBondContact OE1-OG1 3.25Å
119I98.7Very high97.3Very high0 Ų039 Ų390%019%0.192CC..EExtended strand (participates in β ladder)trans-112.6103.1167.8-59.2158.9000106.1I88 I90 I107 L108 M113 V116 L121 K145 V146 K147I88-I119 HydrophobicContact CB-CG1 4.31Å; I88-I119 HydrophobicContact CD1-CG1 4.43Å; I88-I119 CarbonylContact O-C 3.18Å; I88-I119 WeakPolarHBondContact O-CA 3.49Å; I90-I119 HydrophobicContact CD1-CG2 3.7Å; I107-I119 HydrophobicContact CG2-CD1 3.84Å; I107-I119 HydrophobicContact CG2-CG1 4.29Å; L108-I119 HydrophobicContact CD2-CD1 3.68Å; L108-I119 HydrophobicContact CG-CD1 4.25Å; M113-I119 HydrophobicContact CE-CD1 4.35Å; V116-I119 HydrophobicContact CG1-CD1 4.43Å; V116-I119 HydrophobicContact CG1-CG1 3.89Å; I119-L121 PolarHBondContact O-N 3.28Å; I119-K145 PolarHBondContact N-O 3.03Å; I119-V146 HydrophobicContact CB-CG2 4.35Å; I119-V146 HydrophobicContact CD1-CG2 3.99Å; I119-V146 WeakPolarHBondContact O-CA 3.5Å; I119-K147 PolarHBondContact O-N 3.14Å
120L98.6Very high97.2Very high0 Ų033.5 Ų33.50%017%0.166CC..EExtended strand (participates in β ladder)trans-84.7104.9179-60.2-176.5000109.6I88 I89 I90 E118 K147 G164 L167 A168I88-L120 PolarHBondContact O-N 3.32Å; I89-L120 HydrophobicContact CG1-CD1 4.31Å; I90-L120 PolarHBondContact N-O 3.46Å; E118-L120 HydrophobicContact CB-CD2 4.32Å; E118-L120 HydrophobicContact CG-CD2 3.96Å; E118-L120 HydrophobicContact CG-CG 3.99Å; L120-K147 HydrophobicContact CD2-CB 3.95Å; L120-K147 HydrophobicContact CD2-CD 4.08Å; L120-G164 WeakPolarHBondContact CD1-O 3.29Å; L120-L167 HydrophobicContact CD1-CB 3.91Å; L120-A168 HydrophobicContact CD1-CB 4.16Å
121L98.1Very high97Very high0 Ų039 Ų390%019%0.191CC..EExtended strand (participates in β ladder)trans-92.4100.6175-17059000109.4I90 H92 L100 I119 W142 K147 F148 H149I90-L121 HydrophobicContact CB-CD1 3.99Å; I90-L121 HydrophobicContact CG2-CD1 3.82Å; H92-L121 WeakPolarHBondContact ND1-CD1 3.37Å; L100-L121 HydrophobicContact CD1-CD1 3.83Å; L100-L121 HydrophobicContact CD2-CD1 4.32Å; L100-L121 HydrophobicContact CD2-CD2 4.31Å; L100-L121 HydrophobicContact CG-CD1 4.29Å; I119-L121 PolarHBondContact O-N 3.28Å; L121-W142 HydrophobicContact CD2-CH2 4.35Å; L121-W142 HydrophobicContact CD2-CZ3 3.89Å; L121-K147 PolarHBondContact N-O 3.49Å; L121-F148 HydrophobicContact CB-CD1 4.48Å; L121-F148 HydrophobicContact CD2-CD1 3.93Å; L121-F148 HydrophobicContact CD2-CE1 3.45Å; L121-F148 VanDerWaalsContact CD2-CE1 3.45Å; L121-F148 HydrophobicContact CD2-CZ 3.93Å; L121-F148 HydrophobicContact CG-CD1 4.39Å; L121-F148 HydrophobicContact CG-CE1 4.37Å; L121-H149 PolarHBondContact O-N 3.47Å
122L98.1Very high96.8Very high2 Ų245.2 Ų45.21%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-98100.2-173.2-72.3156000111.3I89 I90 H92 D124 H149 I163 L167I89-L122 HydrophobicContact CG2-CD1 3.58Å; I90-L122 PolarHBondContact O-N 3.43Å; H92-L122 PolarHBondContact N-O 2.95Å; H92-L122 PolarHBondContact ND1-O 3.17Å; L122-D124 PolarHBondContact O-N 2.95Å; L122-H149 CarbonylContact C-O 3.55Å; L122-H149 VanDerWaalsContact CA-O 3.31Å; L122-H149 WeakPolarHBondContact CA-O 3.24Å; L122-H149 HydrophobicContact CD2-CB 3.5Å; L122-H149 HydrophobicContact CG-CB 4.44Å; L122-I163 HydrophobicContact CD2-CG2 4.3Å; L122-L167 HydrophobicContact CD2-CD1 4.01Å
123D98.2Very high96.7Very high6 Ų646.4 Ų46.43%0.03222%0.223CC..EExtended strand (participates in β ladder)trans-76.8102.5172.4179.72.8000110H92 Y125 S126 T130 H149 R150 T151H92-D123 VanDerWaalsContact CE1-CA 3.49Å; H92-D123 WeakPolarHBondContact CE1-CA 3.42Å; H92-D123 PolarHBondContact CE1-N 3.01Å; D123-Y125 PolarHBondContact O-N 3.43Å; D123-Y125 PolarHBondContact OD1-N 2.96Å; D123-S126 WeakPolarHBondContact OD1-CA 3.4Å; D123-S126 WeakPolarHBondContact OD1-CB 3.24Å; D123-S126 PolarHBondContact OD1-N 3.25Å; D123-S126 PolarHBondContact OD1-OG 2.8Å; D123-T130 PolarHBondContact OD2-N 3.2Å; D123-T130 PolarHBondContact OD2-OG1 2.98Å; D123-H149 PolarHBondContact N-O 3.14Å; D123-R150 HydrophobicContact CB-CB 4.19Å; D123-R150 HydrophobicContact CB-CG 4.2Å; D123-R150 VanDerWaalsContact CG-NH1 3.33Å; D123-R150 VanDerWaalsContact O-CA 3.31Å; D123-R150 WeakPolarHBondContact O-CA 3.34Å; D123-R150 IonicContact OD1-NH1 3.83Å; D123-R150 PolarHBondContact OD1-NH1 3.27Å; D123-R150 IonicContact OD2-CZ 3.8Å; D123-R150 IonicContact OD2-NH1 2.88Å; D123-R150 PolarHBondContact OD2-NH1 3.49Å; D123-T151 PolarHBondContact O-N 3.11Å; D123-T151 PolarHBondContact O-OG1 2.7Å
124D97.1Very high96.6Very high4 Ų445 Ų452%0.02122%0.216CC..  trans-7855.8178.7-17425.7000111.7H92 Y93 L122 T151 R154 E155 G156 A160H92-D124 WeakPolarHBondContact O-CB 3.35Å; H92-D124 PolarHBondContact O-N 2.98Å; Y93-D124 WeakPolarHBondContact CD2-O 3.42Å; L122-D124 PolarHBondContact O-N 2.95Å; D124-T151 VanDerWaalsContact CA-OG1 3.29Å; D124-T151 WeakPolarHBondContact CA-OG1 3.47Å; D124-T151 PolarHBondContact OD1-OG1 3.18Å; D124-R154 WeakPolarHBondContact O-CD 3.27Å; D124-R154 WeakPolarHBondContact OD2-CD 3.06Å; D124-R154 IonicContact OD2-CZ 3.13Å; D124-R154 IonicContact OD2-NE 2.71Å; D124-R154 PolarHBondContact OD2-NE 2.9Å; D124-E155 WeakPolarHBondContact OD1-CB 3.45Å; D124-E155 PolarHBondContact OD1-N 2.71Å; D124-G156 PolarHBondContact OD1-N 3.21Å; D124-G156 WeakPolarHBondContact OD2-CA 3.16Å; D124-G156 PolarHBondContact OD2-N 3.4Å; D124-A160 HydrophobicContact CB-CB 4.35Å
125Y96.3Very high96.3Very high115 Ų11540.7 Ų40.745%0.45121%0.207SC..SBendtrans65.244.3177.5-158.8-104.5000114.6Y93 D123 T151 A152 R153Y93-Y125 WeakPolarHBondContact CE2-O 3.45Å; D123-Y125 PolarHBondContact O-N 3.43Å; D123-Y125 PolarHBondContact OD1-N 2.96Å; Y125-T151 PolarHBondContact N-OG1 3.44Å; Y125-A152 VanDerWaalsContact CE2-O 3.3Å; Y125-A152 WeakPolarHBondContact CE2-O 3.33Å; Y125-R153 VanDerWaalsContact CB-C 3.49Å
126S96.1Very high96Very high1 Ų144.9 Ų44.91%0.00723%0.232CC..  trans-63.3154.7176.5-51.50000113.1Y93 N94 D123 P128 R150Y93-S126 WeakPolarHBondContact CA-OG 3.44Å; N94-S126 PolarHBondContact N-OG 3.2Å; N94-S126 WeakPolarHBondContact OD1-CA 3.37Å; N94-S126 VanDerWaalsContact OD1-CB 3.31Å; N94-S126 WeakPolarHBondContact OD1-CB 3.24Å; D123-S126 WeakPolarHBondContact OD1-CA 3.4Å; D123-S126 WeakPolarHBondContact OD1-CB 3.24Å; D123-S126 PolarHBondContact OD1-N 3.25Å; D123-S126 PolarHBondContact OD1-OG 2.8Å; S126-P128 CarbonylContact C-O 3.42Å; S126-P128 CarbonylContact O-C 3.43Å; S126-R150 PolarHBondContact O-NH1 2.84Å; S126-R150 PolarHBondContact O-NH2 3.29Å
127E93.6Very high95.9Very high166 Ų16647.4 Ų47.478%0.77624%0.241SC*.SBendtrans-129.3117.1174.2-172.5164.6-13900110.7N94N94-E127 PolarHBondContact OD1-N 2.93Å
128P94.7Very high95.7Very high56 Ų5645.6 Ų45.636%0.36423%0.231SC..SBendcis-65.7164.6-7.231-36.2000112.1S126 Q133S126-P128 CarbonylContact C-O 3.42Å; S126-P128 CarbonylContact O-C 3.43Å; P128-Q133 HydrophobicContact CG-CB 4.34Å; P128-Q133 HydrophobicContact CG-CG 4.31Å
129P95.7Very high95.4Very high45 Ų4554.3 Ų54.329%0.29227%0.269SS..  trans-54.1140.8174.6-25.734000113.3K131 Q132 Q133 R150P129-K131 VanDerWaalsContact C-N 3.29Å; P129-K131 PolarHBondContact O-N 3.12Å; P129-Q132 WeakPolarHBondContact O-CA 3.21Å; P129-Q132 WeakPolarHBondContact O-CB 3.42Å; P129-Q132 PolarHBondContact O-N 3.17Å; P129-Q133 PolarHBondContact O-N 3.45Å; P129-R150 VanDerWaalsContact CA-NH1 3.27Å
130T95.6Very high95.3Very high0 Ų060 Ų600%030%0.298CS..Hα-helixtrans-60.1-38.2-172.3-59.40000112.8H92 L100 D123 Q132 Q133 L134 F148H92-T130 PolarHBondContact CD2-OG1 2.96Å; H92-T130 WeakPolarHBondContact NE2-CB 3.15Å; H92-T130 WeakPolarHBondContact NE2-CG2 3.37Å; H92-T130 PolarHBondContact NE2-OG1 3.41Å; L100-T130 HydrophobicContact CD2-CG2 3.63Å; D123-T130 PolarHBondContact OD2-N 3.2Å; D123-T130 PolarHBondContact OD2-OG1 2.98Å; T130-Q132 VanDerWaalsContact C-N 3.27Å; T130-Q132 PolarHBondContact O-N 2.87Å; T130-Q133 WeakPolarHBondContact O-CB 3.17Å; T130-Q133 PolarHBondContact O-N 3Å; T130-Q133 VanDerWaalsContact O-N 3.12Å; T130-L134 HydrophobicContact CG2-CD1 3.87Å; T130-L134 HydrophobicContact CG2-CG 4Å; T130-L134 VanDerWaalsContact O-CG 3.31Å; T130-L134 WeakPolarHBondContact O-CG 3.32Å; T130-L134 PolarHBondContact O-N 2.7Å; T130-F148 HydrophobicContact CG2-CE1 4.39Å
131K93Very high95.2Very high138 Ų13864 Ų6460%0.632%0.32SS*.Hα-helixtrans-57.5-40.8174.9-74.5-170177-176.50112.5P129 G135 F148P129-K131 VanDerWaalsContact C-N 3.29Å; P129-K131 PolarHBondContact O-N 3.12Å; K131-G135 PolarHBondContact O-N 2.9Å; K131-F148 HydrophobicContact CD-CB 4.4Å; K131-F148 HydrophobicContact CG-CB 4.35Å; K131-F148 HydrophobicContact CG-CD1 3.82Å; K131-F148 HydrophobicContact CG-CE1 4.25Å; K131-F148 HydrophobicContact CG-CG 4.1Å
132Q94Very high95.2Very high142 Ų14265 Ų6566%0.66432%0.324SS*.Hα-helixtrans-69.5-42176.1-178.7-176.4-9.100110.8P129 T130 L134 G135P129-Q132 WeakPolarHBondContact O-CA 3.21Å; P129-Q132 WeakPolarHBondContact O-CB 3.42Å; P129-Q132 PolarHBondContact O-N 3.17Å; T130-Q132 VanDerWaalsContact C-N 3.27Å; T130-Q132 PolarHBondContact O-N 2.87Å; Q132-L134 VanDerWaalsContact C-N 3.33Å; Q132-L134 PolarHBondContact O-N 2.79Å; Q132-G135 PolarHBondContact O-N 3.11Å
133Q94.5Very high95.1Very high45 Ų4567.8 Ų67.821%0.2134%0.342CS..Hα-helixtrans-63.9-35.6-178.3-158.2-166.514.800113E95 P97 P128 P129 T130 G135E95-Q133 PolarHBondContact O-NE2 2.98Å; E95-Q133 PolarHBondContact O-OE1 3.01Å; P97-Q133 VanDerWaalsContact CG-CD 3.49Å; P97-Q133 HydrophobicContact CG-CG 3.65Å; P97-Q133 VanDerWaalsContact CG-NE2 3.31Å; P128-Q133 HydrophobicContact CG-CB 4.34Å; P128-Q133 HydrophobicContact CG-CG 4.31Å; P129-Q133 PolarHBondContact O-N 3.45Å; T130-Q133 WeakPolarHBondContact O-CB 3.17Å; T130-Q133 PolarHBondContact O-N 3Å; T130-Q133 VanDerWaalsContact O-N 3.12Å; Q133-G135 VanDerWaalsContact C-N 3.34Å
134L95.1Very high95.1Very high11 Ų1172.9 Ų72.96%0.05838%0.378CS..Hα-helixtrans-80.2-15.1178-62.7-177.1000113.2P97 I101 T130 Q132 Y137 A138 W142 F148P97-L134 HydrophobicContact CB-CD2 4.3Å; I101-L134 HydrophobicContact CD1-CD2 3.81Å; I101-L134 HydrophobicContact CG1-CD2 3.58Å; T130-L134 HydrophobicContact CG2-CD1 3.87Å; T130-L134 HydrophobicContact CG2-CG 4Å; T130-L134 VanDerWaalsContact O-CG 3.31Å; T130-L134 WeakPolarHBondContact O-CG 3.32Å; T130-L134 PolarHBondContact O-N 2.7Å; Q132-L134 VanDerWaalsContact C-N 3.33Å; Q132-L134 PolarHBondContact O-N 2.79Å; L134-Y137 VanDerWaalsContact O-CB 3.32Å; L134-Y137 WeakPolarHBondContact O-CB 3.49Å; L134-Y137 PolarHBondContact O-N 2.79Å; L134-A138 HydrophobicContact CB-CB 4.48Å; L134-A138 HydrophobicContact CD1-CB 4.2Å; L134-W142 HydrophobicContact CD1-CH2 3.84Å; L134-W142 HydrophobicContact CD1-CZ3 3.86Å; L134-F148 HydrophobicContact CD1-CE1 3.72Å; L134-F148 HydrophobicContact CD1-CZ 3.8Å
135G90.7Very high95.1Very high42 Ų4276 Ų7643%0.43339%0.391SS..THydrogen-bonded Turntrans52.8-142.4-173.800000112.1K131 Q132 Q133 Y137K131-G135 PolarHBondContact O-N 2.9Å; Q132-G135 PolarHBondContact O-N 3.11Å; Q133-G135 VanDerWaalsContact C-N 3.34Å; G135-Y137 PolarHBondContact O-N 2.84Å
136D92.4Very high95.2Very high119 Ų11971 Ų7164%0.63637%0.373SS*.THydrogen-bonded Turntrans-76.7-6.7-179-58.4-29.5000113.3A138 F139 I140D136-A138 VanDerWaalsContact C-N 3.35Å; D136-A138 PolarHBondContact O-N 3.2Å; D136-F139 PolarHBondContact O-N 2.65Å; D136-I140 HydrophobicContact CB-CD1 3.62Å; D136-I140 HydrophobicContact CB-CG1 4.19Å; D136-I140 WeakPolarHBondContact O-CB 3.38Å; D136-I140 VanDerWaalsContact O-CG1 3.26Å; D136-I140 WeakPolarHBondContact O-CG1 3.03Å; D136-I140 PolarHBondContact O-N 3.5Å
137Y96.7Very high95.3Very high53 Ų5375 Ų7521%0.20839%0.39CS..Hα-helixtrans-55.6-50.5-174.2-176.2-87.1000111.6F43 I101 N105 L134 G135 F139 I140 N141 W142F43-Y137 AromaticContact CD2-CD2 3.82Å; F43-Y137 HydrophobicContact CD2-CD2 3.82Å; F43-Y137 AromaticContact CD2-CE2 3.32Å; F43-Y137 HydrophobicContact CD2-CE2 3.32Å; F43-Y137 AromaticContact CD2-CZ 3.73Å; F43-Y137 AromaticContact CE2-CD2 3.77Å; F43-Y137 HydrophobicContact CE2-CD2 3.77Å; F43-Y137 AromaticContact CE2-CE2 3.78Å; F43-Y137 HydrophobicContact CE2-CE2 3.78Å; F43-Y137 HydrophobicContact CE2-CG 4.45Å; F43-Y137 HydrophobicContact CG-CE2 4.31Å; I101-Y137 HydrophobicContact CB-CE1 4.38Å; I101-Y137 HydrophobicContact CD1-CD1 3.96Å; I101-Y137 HydrophobicContact CD1-CE1 4.46Å; I101-Y137 HydrophobicContact CD1-CG 4.15Å; I101-Y137 HydrophobicContact CG1-CD1 4.03Å; I101-Y137 HydrophobicContact CG1-CE1 4.3Å; I101-Y137 HydrophobicContact CG2-CD1 3.82Å; I101-Y137 HydrophobicContact CG2-CE1 3.22Å; N105-Y137 PolarHBondContact ND2-OH 3.42Å; L134-Y137 VanDerWaalsContact O-CB 3.32Å; L134-Y137 WeakPolarHBondContact O-CB 3.49Å; L134-Y137 PolarHBondContact O-N 2.79Å; G135-Y137 PolarHBondContact O-N 2.84Å; Y137-F139 PolarHBondContact O-N 2.89Å; Y137-I140 PolarHBondContact O-N 2.97Å; Y137-N141 HydrophobicContact CD1-CB 4.47Å; Y137-N141 WeakPolarHBondContact CD2-ND2 3.25Å; Y137-N141 HydrophobicContact CE1-CB 4.02Å; Y137-N141 HydrophobicContact CE2-CB 4.45Å; Y137-N141 VanDerWaalsContact O-CB 3.31Å; Y137-N141 WeakPolarHBondContact O-CB 3.24Å; Y137-N141 PolarHBondContact O-N 3.16Å; Y137-N141 PolarHBondContact O-ND2 2.98Å; Y137-W142 HydrophobicContact CD1-CZ2 4.39Å; Y137-W142 HydrophobicContact CE1-CZ2 4.27Å; Y137-W142 AromaticContact CE1-NE1 3.8Å
138A93.6Very high95.4Very high9 Ų969.3 Ų69.37%0.07436%0.363CS..Hα-helixtrans-63.7-41.5-178.800000111.9L134 D136 W142 F148L134-A138 HydrophobicContact CB-CB 4.48Å; L134-A138 HydrophobicContact CD1-CB 4.2Å; D136-A138 VanDerWaalsContact C-N 3.35Å; D136-A138 PolarHBondContact O-N 3.2Å; A138-W142 HydrophobicContact CB-CD2 4.05Å; A138-W142 HydrophobicContact CB-CE3 3.45Å; A138-W142 VanDerWaalsContact CB-CE3 3.45Å; A138-W142 HydrophobicContact CB-CH2 4.45Å; A138-W142 HydrophobicContact CB-CZ3 3.72Å; A138-W142 VanDerWaalsContact O-CB 3.31Å; A138-W142 WeakPolarHBondContact O-CB 3.49Å; A138-W142 PolarHBondContact O-N 2.88Å; A138-F148 HydrophobicContact CB-CE2 3.92Å; A138-F148 HydrophobicContact CB-CZ 3.56Å
139F92.4Very high95.6Very high186 Ų18669.9 Ų69.982%0.81636%0.361SS*.Hα-helixtrans-66.1-38.8179.2178.8-100.8000112.3D136 Y137D136-F139 PolarHBondContact O-N 2.65Å; Y137-F139 PolarHBondContact O-N 2.89Å
140I96.1Very high95.6Very high119 Ų11972.5 Ų72.561%0.6137%0.365SS*.Hα-helixtrans-77.3-37.4-178.4-66.8168.1000111.8D136 Y137D136-I140 HydrophobicContact CB-CD1 3.62Å; D136-I140 HydrophobicContact CB-CG1 4.19Å; D136-I140 WeakPolarHBondContact O-CB 3.38Å; D136-I140 VanDerWaalsContact O-CG1 3.26Å; D136-I140 WeakPolarHBondContact O-CG1 3.03Å; D136-I140 PolarHBondContact O-N 3.5Å; Y137-I140 PolarHBondContact O-N 2.97Å
141N97.2Very high95.7Very high84 Ų8473 Ų7345%0.44937%0.368SS..Hα-helixtrans-110.5-15.7-164.6-61.6-88.1000114.8Y137Y137-N141 HydrophobicContact CD1-CB 4.47Å; Y137-N141 WeakPolarHBondContact CD2-ND2 3.25Å; Y137-N141 HydrophobicContact CE1-CB 4.02Å; Y137-N141 HydrophobicContact CE2-CB 4.45Å; Y137-N141 VanDerWaalsContact O-CB 3.31Å; Y137-N141 WeakPolarHBondContact O-CB 3.24Å; Y137-N141 PolarHBondContact O-N 3.16Å; Y137-N141 PolarHBondContact O-ND2 2.98Å
142W97.5Very high95.9Very high22 Ų2271 Ų718%0.08338%0.377CS..  trans-107.4141.2-175.7-63.3-17.6000113I101 V104 N105 L108 L121 L134 Y137 A138 V146 F148I101-W142 HydrophobicContact CB-CZ2 4.38Å; I101-W142 HydrophobicContact CG1-CH2 4.47Å; I101-W142 HydrophobicContact CG1-CZ2 4.24Å; I101-W142 HydrophobicContact CG2-CZ2 4.32Å; V104-W142 HydrophobicContact CB-CH2 3.82Å; V104-W142 HydrophobicContact CB-CZ2 3.51Å; V104-W142 HydrophobicContact CB-CZ3 4.44Å; V104-W142 HydrophobicContact CG1-CD2 3.74Å; V104-W142 VanDerWaalsContact CG1-CE2 3.47Å; V104-W142 HydrophobicContact CG1-CE3 4.09Å; V104-W142 HydrophobicContact CG1-CG 4.28Å; V104-W142 HydrophobicContact CG1-CH2 3.98Å; V104-W142 HydrophobicContact CG1-CZ2 3.64Å; V104-W142 HydrophobicContact CG1-CZ3 4.18Å; V104-W142 HydrophobicContact CG2-CH2 3.78Å; V104-W142 HydrophobicContact CG2-CZ2 4.02Å; V104-W142 HydrophobicContact CG2-CZ3 4.27Å; N105-W142 PolarHBondContact OD1-NE1 2.88Å; L108-W142 HydrophobicContact CD1-CB 4.46Å; L108-W142 HydrophobicContact CD1-CG 4.08Å; L121-W142 HydrophobicContact CD2-CH2 4.35Å; L121-W142 HydrophobicContact CD2-CZ3 3.89Å; L134-W142 HydrophobicContact CD1-CH2 3.84Å; L134-W142 HydrophobicContact CD1-CZ3 3.86Å; Y137-W142 HydrophobicContact CD1-CZ2 4.39Å; Y137-W142 HydrophobicContact CE1-CZ2 4.27Å; Y137-W142 AromaticContact CE1-NE1 3.8Å; A138-W142 HydrophobicContact CB-CD2 4.05Å; A138-W142 HydrophobicContact CB-CE3 3.45Å; A138-W142 VanDerWaalsContact CB-CE3 3.45Å; A138-W142 HydrophobicContact CB-CH2 4.45Å; A138-W142 HydrophobicContact CB-CZ3 3.72Å; A138-W142 VanDerWaalsContact O-CB 3.31Å; A138-W142 WeakPolarHBondContact O-CB 3.49Å; A138-W142 PolarHBondContact O-N 2.88Å; W142-V146 HydrophobicContact CB-CB 4.13Å; W142-V146 HydrophobicContact CB-CG2 3.92Å; W142-V146 HydrophobicContact CD2-CG1 4.3Å; W142-V146 HydrophobicContact CE3-CB 4.28Å; W142-V146 HydrophobicContact CE3-CG1 3.59Å; W142-V146 HydrophobicContact CG-CG2 4.27Å; W142-V146 HydrophobicContact CZ3-CG1 4.09Å; W142-F148 HydrophobicContact CE3-CE2 4.1Å; W142-F148 AromaticContact CE3-CZ 3.9Å; W142-F148 HydrophobicContact CE3-CZ 3.9Å; W142-F148 HydrophobicContact CZ3-CE1 4.37Å; W142-F148 HydrophobicContact CZ3-CE2 4.19Å; W142-F148 AromaticContact CZ3-CZ 3.55Å; W142-F148 HydrophobicContact CZ3-CZ 3.55Å
143P97.4Very high95.9Very high61 Ų6171.9 Ų71.940%0.39637%0.374SS..  trans-71.9164.2175.732.1-35.8000111.2L108 K145 V146L108-P143 HydrophobicContact CD2-CG 3.67Å; P143-K145 HydrophobicContact CG-CB 4.46Å; P143-K145 PolarHBondContact O-N 3.05Å; P143-V146 HydrophobicContact CG-CG2 4.45Å; P143-V146 PolarHBondContact O-N 3.16Å
144S96.8Very high95.9Very high113 Ų11372.6 Ų72.679%0.7938%0.375SS*.THydrogen-bonded Turntrans-58.6-15.6176.658.50000114.7V146S144-V146 PolarHBondContact O-N 3.31Å
145K98.1Very high95.9Very high68 Ų6873.2 Ų73.230%0.29638%0.377SS..THydrogen-bonded Turntrans-63.5-23.8170.8-67.7-168.2173.1-1560112.7M113 V116 E118 I119 P143 K147M113-K145 HydrophobicContact CE-CB 4.47Å; M113-K145 HydrophobicContact CE-CD 3.76Å; M113-K145 PolarHBondContact O-NZ 3.37Å; V116-K145 WeakPolarHBondContact O-CD 3.32Å; V116-K145 WeakPolarHBondContact O-CE 3.21Å; V116-K145 PolarHBondContact O-NZ 3.22Å; E118-K145 CarbonylContact C-O 3.58Å; E118-K145 WeakPolarHBondContact CA-O 3.37Å; I119-K145 PolarHBondContact N-O 3.03Å; P143-K145 HydrophobicContact CG-CB 4.46Å; P143-K145 PolarHBondContact O-N 3.05Å; K145-K147 PolarHBondContact O-N 3.37Å
146V98.2Very high96Very high12 Ų1271.3 Ų71.37%0.07336%0.357CS..EExtended strand (participates in β ladder)trans-85105.5174.1-171.90000109.3V104 L108 I119 W142 P143 S144 F148V104-V146 HydrophobicContact CG1-CG1 4.24Å; V104-V146 HydrophobicContact CG1-CG2 4.02Å; L108-V146 HydrophobicContact CD1-CG2 4.27Å; L108-V146 HydrophobicContact CD2-CG2 4.11Å; I119-V146 HydrophobicContact CB-CG2 4.35Å; I119-V146 HydrophobicContact CD1-CG2 3.99Å; I119-V146 WeakPolarHBondContact O-CA 3.5Å; W142-V146 HydrophobicContact CB-CB 4.13Å; W142-V146 HydrophobicContact CB-CG2 3.92Å; W142-V146 HydrophobicContact CD2-CG1 4.3Å; W142-V146 HydrophobicContact CE3-CB 4.28Å; W142-V146 HydrophobicContact CE3-CG1 3.59Å; W142-V146 HydrophobicContact CG-CG2 4.27Å; W142-V146 HydrophobicContact CZ3-CG1 4.09Å; P143-V146 HydrophobicContact CG-CG2 4.45Å; P143-V146 PolarHBondContact O-N 3.16Å; S144-V146 PolarHBondContact O-N 3.31Å; V146-F148 HydrophobicContact CG1-CE2 4.49Å
147K97.5Very high96.1Very high83 Ų8367 Ų6736%0.36133%0.334SS..EExtended strand (participates in β ladder)trans-108.2123.6-175-60180-175171.50110.5E118 I119 L120 L121 K145E118-K147 HydrophobicContact CB-CD 4.22Å; E118-K147 WeakPolarHBondContact OE2-CE 3.24Å; E118-K147 IonicContact OE2-NZ 2.93Å; E118-K147 PolarHBondContact OE2-NZ 3.06Å; I119-K147 PolarHBondContact O-N 3.14Å; L120-K147 HydrophobicContact CD2-CB 3.95Å; L120-K147 HydrophobicContact CD2-CD 4.08Å; L121-K147 PolarHBondContact N-O 3.49Å; K145-K147 PolarHBondContact O-N 3.37Å
148F96.7Very high96Very high48 Ų4864.5 Ų64.521%0.21133%0.325CS..EExtended strand (participates in β ladder)trans-89.1127.9176.8-72.1-97.6000111.5L121 T130 K131 L134 A138 W142 V146L121-F148 HydrophobicContact CB-CD1 4.48Å; L121-F148 HydrophobicContact CD2-CD1 3.93Å; L121-F148 HydrophobicContact CD2-CE1 3.45Å; L121-F148 VanDerWaalsContact CD2-CE1 3.45Å; L121-F148 HydrophobicContact CD2-CZ 3.93Å; L121-F148 HydrophobicContact CG-CD1 4.39Å; L121-F148 HydrophobicContact CG-CE1 4.37Å; T130-F148 HydrophobicContact CG2-CE1 4.39Å; K131-F148 HydrophobicContact CD-CB 4.4Å; K131-F148 HydrophobicContact CG-CB 4.35Å; K131-F148 HydrophobicContact CG-CD1 3.82Å; K131-F148 HydrophobicContact CG-CE1 4.25Å; K131-F148 HydrophobicContact CG-CG 4.1Å; L134-F148 HydrophobicContact CD1-CE1 3.72Å; L134-F148 HydrophobicContact CD1-CZ 3.8Å; A138-F148 HydrophobicContact CB-CE2 3.92Å; A138-F148 HydrophobicContact CB-CZ 3.56Å; W142-F148 HydrophobicContact CE3-CE2 4.1Å; W142-F148 AromaticContact CE3-CZ 3.9Å; W142-F148 HydrophobicContact CE3-CZ 3.9Å; W142-F148 HydrophobicContact CZ3-CE1 4.37Å; W142-F148 HydrophobicContact CZ3-CE2 4.19Å; W142-F148 AromaticContact CZ3-CZ 3.55Å; W142-F148 HydrophobicContact CZ3-CZ 3.55Å; V146-F148 HydrophobicContact CG1-CE2 4.49Å
149H97.4Very high96.1Very high68 Ų6866.5 Ų66.532%0.31533%0.33SS..EExtended strand (participates in β ladder)trans-128.4137.3170.9-69.597000109.1L121 L122 D123 L167L121-H149 PolarHBondContact O-N 3.47Å; L122-H149 CarbonylContact C-O 3.55Å; L122-H149 VanDerWaalsContact CA-O 3.31Å; L122-H149 WeakPolarHBondContact CA-O 3.24Å; L122-H149 HydrophobicContact CD2-CB 3.5Å; L122-H149 HydrophobicContact CG-CB 4.44Å; D123-H149 PolarHBondContact N-O 3.14Å; H149-L167 HydrophobicContact CB-CD1 4.18Å
150R97.5Very high96.3Very high100 Ų10057.7 Ų57.738%0.37729%0.292SS..EExtended strand (participates in β ladder)trans-121132.5178.5-178.9177.8172.694.4-3.5109.5D123 S126 P129D123-R150 HydrophobicContact CB-CB 4.19Å; D123-R150 HydrophobicContact CB-CG 4.2Å; D123-R150 VanDerWaalsContact CG-NH1 3.33Å; D123-R150 VanDerWaalsContact O-CA 3.31Å; D123-R150 WeakPolarHBondContact O-CA 3.34Å; D123-R150 IonicContact OD1-NH1 3.83Å; D123-R150 PolarHBondContact OD1-NH1 3.27Å; D123-R150 IonicContact OD2-CZ 3.8Å; D123-R150 IonicContact OD2-NH1 2.88Å; D123-R150 PolarHBondContact OD2-NH1 3.49Å; S126-R150 PolarHBondContact O-NH1 2.84Å; S126-R150 PolarHBondContact O-NH2 3.29Å; P129-R150 VanDerWaalsContact CA-NH1 3.27Å
151T97.7Very high96.3Very high11 Ų1153.6 Ų53.67%0.06727%0.269CS..  trans-73.8150.1174.259.10000110.7D123 D124 Y125 R153 E155 I163D123-T151 PolarHBondContact O-N 3.11Å; D123-T151 PolarHBondContact O-OG1 2.7Å; D124-T151 VanDerWaalsContact CA-OG1 3.29Å; D124-T151 WeakPolarHBondContact CA-OG1 3.47Å; D124-T151 PolarHBondContact OD1-OG1 3.18Å; Y125-T151 PolarHBondContact N-OG1 3.44Å; T151-R153 WeakPolarHBondContact CB-O 3.46Å; T151-R153 PolarHBondContact O-N 3.11Å; T151-R153 PolarHBondContact OG1-O 2.78Å; T151-E155 HydrophobicContact CG2-CG 4.13Å; T151-I163 HydrophobicContact CG2-CD1 4Å
152A95.8Very high96.3Very high95 Ų9549.8 Ų49.879%0.78525%0.248SC*.SBendtrans-72.7-17.6-178.900000113.5Y125Y125-A152 VanDerWaalsContact CE2-O 3.3Å; Y125-A152 WeakPolarHBondContact CE2-O 3.33Å
153R95.2Very high96.3Very high160 Ų16051.3 Ų51.360%0.60426%0.257SS*.SBendtrans-154.916918063.8-178.6179.5-174.70.2109Y125 T151 E155Y125-R153 VanDerWaalsContact CB-C 3.49Å; T151-R153 WeakPolarHBondContact CB-O 3.46Å; T151-R153 PolarHBondContact O-N 3.11Å; T151-R153 PolarHBondContact OG1-O 2.78Å; R153-E155 HydrophobicContact CG-CG 4.5Å; R153-E155 WeakPolarHBondContact CG-OE1 3.39Å; R153-E155 IonicContact CZ-OE1 3.88Å; R153-E155 IonicContact NE-OE1 3.27Å; R153-E155 PolarHBondContact NE-OE1 3.27Å; R153-E155 IonicContact NH2-OE1 3.51Å; R153-E155 PolarHBondContact NH2-OE1 3.08Å; R153-E155 PolarHBondContact O-N 3.15Å
154R94.1Very high96.3Very high61 Ų6148.4 Ų48.423%0.2324%0.238CC..  trans-68103.6175.2-175.160.2-173.5-83.712.6111.4Y93 D124 L264Y93-R154 VanDerWaalsContact CB-NH2 3.29Å; Y93-R154 VanDerWaalsContact CD1-NH2 3.3Å; Y93-R154 VanDerWaalsContact CD2-NH1 3.32Å; Y93-R154 VanDerWaalsContact CE2-NH1 3.29Å; Y93-R154 VanDerWaalsContact CG-NH2 3.29Å; D124-R154 WeakPolarHBondContact O-CD 3.27Å; D124-R154 WeakPolarHBondContact OD2-CD 3.06Å; D124-R154 IonicContact OD2-CZ 3.13Å; D124-R154 IonicContact OD2-NE 2.71Å; D124-R154 PolarHBondContact OD2-NE 2.9Å; R154-L264 HydrophobicContact CG-CD2 4.32Å
155E94.8Very high96.3Very high24 Ų2444.1 Ų44.111%0.11221%0.21CC..  trans-85.8-35.7-178.8-72.2-62.2164.200111.9D124 T151 R153 R159 I163D124-E155 WeakPolarHBondContact OD1-CB 3.45Å; D124-E155 PolarHBondContact OD1-N 2.71Å; T151-E155 HydrophobicContact CG2-CG 4.13Å; R153-E155 HydrophobicContact CG-CG 4.5Å; R153-E155 WeakPolarHBondContact CG-OE1 3.39Å; R153-E155 IonicContact CZ-OE1 3.88Å; R153-E155 IonicContact NE-OE1 3.27Å; R153-E155 PolarHBondContact NE-OE1 3.27Å; R153-E155 IonicContact NH2-OE1 3.51Å; R153-E155 PolarHBondContact NH2-OE1 3.08Å; R153-E155 PolarHBondContact O-N 3.15Å; E155-R159 HydrophobicContact CB-CB 3.96Å; E155-R159 PolarHBondContact O-NE 3.49Å; E155-R159 PolarHBondContact O-NH2 3.17Å; E155-R159 WeakPolarHBondContact OE2-CD 3.38Å; E155-R159 IonicContact OE2-CZ 2.84Å; E155-R159 IonicContact OE2-NE 3.29Å; E155-R159 PolarHBondContact OE2-NE 3.39Å; E155-I163 HydrophobicContact CB-CD1 4.5Å; E155-I163 HydrophobicContact CG-CD1 3.92Å
156G93.4Very high96.3Very high1 Ų147.5 Ų47.51%0.0122%0.222CC..BIsolated β-bridgetrans94.3157.2-171.100000112.5D124 I158 R159 A160 L264D124-G156 PolarHBondContact OD1-N 3.21Å; D124-G156 WeakPolarHBondContact OD2-CA 3.16Å; D124-G156 PolarHBondContact OD2-N 3.4Å; G156-I158 VanDerWaalsContact C-N 3.25Å; G156-I158 PolarHBondContact O-N 2.82Å; G156-I158 VanDerWaalsContact O-N 3.15Å; G156-R159 PolarHBondContact O-N 2.94Å; G156-A160 WeakPolarHBondContact O-CB 3.39Å; G156-A160 PolarHBondContact O-N 3.43Å; G156-L264 CarbonylContact C-O 3.55Å
157L93.4Very high96.2Very high29 Ų2950.1 Ų50.115%0.15224%0.235CC..Hα-helixtrans-50.3-45.3-175.9-178.267.4000112.3C91 A160 R161 L264 W265C91-L157 HydrophobicContact CB-CD1 4.01Å; L157-A160 PolarHBondContact O-N 2.89Å; L157-R161 HydrophobicContact CD1-CG 4.28Å; L157-R161 HydrophobicContact CG-CG 4.49Å; L157-R161 WeakPolarHBondContact O-CB 3.4Å; L157-R161 VanDerWaalsContact O-CG 3.27Å; L157-R161 WeakPolarHBondContact O-CG 3.46Å; L157-R161 PolarHBondContact O-N 3.43Å; L157-L264 WeakPolarHBondContact CB-O 3.44Å; L157-L264 PolarHBondContact N-O 3.37Å; L157-W265 VanDerWaalsContact CD2-CD1 3.4Å
158I94.8Very high96.3Very high1 Ų147.1 Ų47.11%0.00523%0.225CC..Hα-helixtrans-64.3-51.5-172.9-54.8172.6000111G156 R161 N162 Y258 M262 E268G156-I158 VanDerWaalsContact C-N 3.25Å; G156-I158 PolarHBondContact O-N 2.82Å; G156-I158 VanDerWaalsContact O-N 3.15Å; I158-R161 PolarHBondContact O-N 3.47Å; I158-N162 PolarHBondContact O-N 3.28Å; I158-Y258 HydrophobicContact CG2-CG 4.18Å; I158-M262 HydrophobicContact CD1-CB 3.39Å; I158-M262 HydrophobicContact CD1-CG 4.32Å; I158-M262 HydrophobicContact CD1-SD 4.06Å; I158-M262 HydrophobicContact CG2-CB 4.34Å; I158-E268 HydrophobicContact CD1-CB 3.84Å; I158-E268 HydrophobicContact CD1-CG 4.31Å; I158-E268 HydrophobicContact CG1-CB 3.86Å; I158-E268 HydrophobicContact CG1-CG 3.88Å; I158-E268 HydrophobicContact CG2-CB 4.26Å
159R96Very high96.3Very high51 Ų5149.5 Ų49.519%0.19224%0.244CC..Hα-helixtrans-73-35.7179-73.9-166.9-69.9-86.1-4.5111.9E155 G156 R161 N162 I163 N260 M262E155-R159 HydrophobicContact CB-CB 3.96Å; E155-R159 PolarHBondContact O-NE 3.49Å; E155-R159 PolarHBondContact O-NH2 3.17Å; E155-R159 WeakPolarHBondContact OE2-CD 3.38Å; E155-R159 IonicContact OE2-CZ 2.84Å; E155-R159 IonicContact OE2-NE 3.29Å; E155-R159 PolarHBondContact OE2-NE 3.39Å; G156-R159 PolarHBondContact O-N 2.94Å; R159-R161 VanDerWaalsContact C-N 3.31Å; R159-R161 PolarHBondContact O-N 3.47Å; R159-N162 PolarHBondContact O-N 3.3Å; R159-I163 WeakPolarHBondContact O-CG1 2.92Å; R159-I163 PolarHBondContact O-N 3.07Å; R159-N260 PolarHBondContact NH1-O 3.38Å; R159-M262 PolarHBondContact NH1-O 2.81Å
160A96.9Very high96.3Very high1 Ų147.1 Ų47.11%0.00824%0.237CC..Hα-helixtrans-59.9-41.4173.500000111.5C91 D124 G156 L157 I163 G164C91-A160 HydrophobicContact CB-CB 4.09Å; D124-A160 HydrophobicContact CB-CB 4.35Å; G156-A160 WeakPolarHBondContact O-CB 3.39Å; G156-A160 PolarHBondContact O-N 3.43Å; L157-A160 PolarHBondContact O-N 2.89Å; A160-I163 PolarHBondContact O-N 2.96Å; A160-G164 PolarHBondContact O-N 2.93Å
161R96.8Very high96.3Very high33 Ų3349 Ų4913%0.12525%0.25CC..Hα-helixtrans-62.4-42.3173.6-76.9-179.3175.8-178.80.3112.1L157 I158 R159 G164 A165 F175 D177 Y258L157-R161 HydrophobicContact CD1-CG 4.28Å; L157-R161 HydrophobicContact CG-CG 4.49Å; L157-R161 WeakPolarHBondContact O-CB 3.4Å; L157-R161 VanDerWaalsContact O-CG 3.27Å; L157-R161 WeakPolarHBondContact O-CG 3.46Å; L157-R161 PolarHBondContact O-N 3.43Å; I158-R161 PolarHBondContact O-N 3.47Å; R159-R161 VanDerWaalsContact C-N 3.31Å; R159-R161 PolarHBondContact O-N 3.47Å; R161-G164 PolarHBondContact O-N 3.36Å; R161-A165 WeakPolarHBondContact O-CB 3.29Å; R161-A165 PolarHBondContact O-N 2.76Å; R161-F175 HydrophobicContact CB-CD1 4.06Å; R161-F175 HydrophobicContact CB-CE1 3.76Å; R161-F175 HydrophobicContact CG-CD1 3.78Å; R161-F175 HydrophobicContact CG-CE1 4.03Å; R161-F175 WeakPolarHBondContact O-CE1 3.49Å; R161-D177 IonicContact NH2-OD1 3.2Å; R161-D177 PolarHBondContact NH2-OD1 2.83Å; R161-Y258 HydrophobicContact CB-CD2 4.19Å; R161-Y258 HydrophobicContact CB-CE2 4.1Å
162N96.9Very high96.2Very high4 Ų449.4 Ų49.42%0.02125%0.252CS..Hα-helixtrans-62.3-44174.2-74-12000112I158 R159 G164 A165 Y166 Y258 N260I158-N162 PolarHBondContact O-N 3.28Å; R159-N162 PolarHBondContact O-N 3.3Å; N162-G164 VanDerWaalsContact C-N 3.31Å; N162-G164 PolarHBondContact O-N 2.87Å; N162-A165 WeakPolarHBondContact O-CB 3.38Å; N162-A165 PolarHBondContact O-N 3.25Å; N162-Y166 HydrophobicContact CB-CE2 4.24Å; N162-Y166 VanDerWaalsContact O-CD2 3.23Å; N162-Y166 WeakPolarHBondContact O-CD2 3.46Å; N162-Y166 VanDerWaalsContact O-CG 3.23Å; N162-Y166 PolarHBondContact O-N 3.36Å; N162-Y258 PolarHBondContact ND2-O 2.93Å; N162-Y258 WeakPolarHBondContact OD1-CB 3.29Å; N162-Y258 PolarHBondContact OD1-N 3.07Å; N162-Y258 VanDerWaalsContact OD1-N 3.16Å; N162-N260 PolarHBondContact ND2-ND2 2.98Å; N162-N260 PolarHBondContact ND2-OD1 3.29Å
163I97.7Very high96.3Very high53 Ų5348.5 Ų48.527%0.27223%0.234SC..Hα-helixtrans-58.5-45.5175-68.7164.8000110.4L122 T151 E155 R159 A160 A165 Y166 L167L122-I163 HydrophobicContact CD2-CG2 4.3Å; T151-I163 HydrophobicContact CG2-CD1 4Å; E155-I163 HydrophobicContact CB-CD1 4.5Å; E155-I163 HydrophobicContact CG-CD1 3.92Å; R159-I163 WeakPolarHBondContact O-CG1 2.92Å; R159-I163 PolarHBondContact O-N 3.07Å; A160-I163 PolarHBondContact O-N 2.96Å; I163-A165 VanDerWaalsContact C-N 3.33Å; I163-A165 PolarHBondContact O-N 3.49Å; I163-Y166 PolarHBondContact O-N 2.88Å; I163-L167 HydrophobicContact CG2-CD1 3.95Å; I163-L167 WeakPolarHBondContact O-CG 3.43Å; I163-L167 PolarHBondContact O-N 3.16Å
164G97.6Very high96.4Very high0 Ų041.8 Ų41.80%021%0.209CC..Hα-helixtrans-60.1-41.3175.300000113.7L120 A160 R161 N162 Y166 L167 A168L120-G164 WeakPolarHBondContact CD1-O 3.29Å; A160-G164 PolarHBondContact O-N 2.93Å; R161-G164 PolarHBondContact O-N 3.36Å; N162-G164 VanDerWaalsContact C-N 3.31Å; N162-G164 PolarHBondContact O-N 2.87Å; G164-Y166 VanDerWaalsContact C-N 3.33Å; G164-Y166 PolarHBondContact O-N 3.05Å; G164-L167 PolarHBondContact O-N 2.58Å; G164-A168 WeakPolarHBondContact O-CB 3.44Å; G164-A168 PolarHBondContact O-N 3.47Å
165A96.5Very high96.6Very high23 Ų2342 Ų4219%0.1921%0.212CC..Hα-helixtrans-63-38.8175.600000112.2R161 N162 I163 L167 A168 L173 F175R161-A165 WeakPolarHBondContact O-CB 3.29Å; R161-A165 PolarHBondContact O-N 2.76Å; N162-A165 WeakPolarHBondContact O-CB 3.38Å; N162-A165 PolarHBondContact O-N 3.25Å; I163-A165 VanDerWaalsContact C-N 3.33Å; I163-A165 PolarHBondContact O-N 3.49Å; A165-L167 VanDerWaalsContact C-N 3.34Å; A165-A168 PolarHBondContact O-N 2.91Å; A165-L173 HydrophobicContact CB-CD1 3.79Å; A165-F175 HydrophobicContact CB-CZ 4.19Å
166Y97Very high96.7Very high139 Ų13941.5 Ų41.555%0.54521%0.21SC..Hα-helixtrans-72.7-26.1177.6-57.8-35.1000113.5N162 I163 G164 D257N162-Y166 HydrophobicContact CB-CE2 4.24Å; N162-Y166 VanDerWaalsContact O-CD2 3.23Å; N162-Y166 WeakPolarHBondContact O-CD2 3.46Å; N162-Y166 VanDerWaalsContact O-CG 3.23Å; N162-Y166 PolarHBondContact O-N 3.36Å; I163-Y166 PolarHBondContact O-N 2.88Å; G164-Y166 VanDerWaalsContact C-N 3.33Å; G164-Y166 PolarHBondContact O-N 3.05Å; Y166-D257 PolarHBondContact OH-OD2 2.51Å
167L97.7Very high96.9Very high68 Ų6843.6 Ų43.636%0.35622%0.221SC..Hα-helixtrans-83.2-21.3175.9-69.9170.8000112.9L120 L122 H149 I163 G164 A165L120-L167 HydrophobicContact CD1-CB 3.91Å; L122-L167 HydrophobicContact CD2-CD1 4.01Å; H149-L167 HydrophobicContact CB-CD1 4.18Å; I163-L167 HydrophobicContact CG2-CD1 3.95Å; I163-L167 WeakPolarHBondContact O-CG 3.43Å; I163-L167 PolarHBondContact O-N 3.16Å; G164-L167 PolarHBondContact O-N 2.58Å; A165-L167 VanDerWaalsContact C-N 3.34Å
168A97.7Very high97Very high19 Ų1942.5 Ų42.516%0.15722%0.216CC..  trans-68.8145.1-177.400000112.1S87 I89 E118 L120 G164 A165 L173S87-A168 VanDerWaalsContact CB-CB 3.49Å; I89-A168 HydrophobicContact CD1-CB 4.25Å; E118-A168 VanDerWaalsContact OE1-CA 3.32Å; E118-A168 WeakPolarHBondContact OE1-CA 3.46Å; L120-A168 HydrophobicContact CD1-CB 4.16Å; G164-A168 WeakPolarHBondContact O-CB 3.44Å; G164-A168 PolarHBondContact O-N 3.47Å; A165-A168 PolarHBondContact O-N 2.91Å; A168-L173 HydrophobicContact CB-CD2 3.28Å
169T97.7Very high97.1Very high98 Ų9843.2 Ų43.260%0.60122%0.219SC*.  trans-123.7-8-172.454.20000114.5S87 E118S87-T169 PolarHBondContact OG-N 3.32Å; E118-T169 PolarHBondContact OE1-N 2.87Å; E118-T169 PolarHBondContact OE1-OG1 3.25Å
170A97.8Very high97.2Very high19 Ų1941.1 Ų41.116%0.15721%0.212CC..SBendtrans-83.9173.1179.700000113.4S87S87-A170 VanDerWaalsContact OG-CB 3.26Å; S87-A170 WeakPolarHBondContact OG-CB 3.43Å; S87-A170 PolarHBondContact OG-N 2.82Å; S87-A170 VanDerWaalsContact OG-N 3.14Å
171E96.1Very high97.3Very high140 Ų14041.2 Ų41.265%0.65421%0.213SC*.SBendtrans-68.9-34177.2-65.316390.800112.6P84 T85P84-E171 HydrophobicContact CB-CB 4.32Å; T85-E171 PolarHBondContact N-OE2 2.8Å; T85-E171 PolarHBondContact O-N 3.3Å; T85-E171 PolarHBondContact OG1-N 3.01Å; T85-E171 PolarHBondContact OG1-OE2 3.35Å
172V96.7Very high97.4Very high18 Ų1839.7 Ų39.711%0.10921%0.207CC..EExtended strand (participates in β ladder)trans-115.3134.3-178.1178.60000111P84 T85 V86 S87 L191 L194P84-V172 HydrophobicContact CB-CG2 4.01Å; T85-V172 WeakPolarHBondContact O-CB 3.39Å; T85-V172 PolarHBondContact O-N 3.14Å; V86-V172 WeakPolarHBondContact CA-O 3.23Å; V86-V172 HydrophobicContact CB-CB 4.25Å; V86-V172 HydrophobicContact CG2-CB 4.16Å; V86-V172 HydrophobicContact CG2-CG1 4.06Å; S87-V172 PolarHBondContact N-O 3.2Å; V172-L191 HydrophobicContact CB-CD2 4.23Å; V172-L191 HydrophobicContact CG1-CD2 4.18Å; V172-L191 HydrophobicContact CG2-CD2 4.13Å; V172-L194 HydrophobicContact CB-CD1 4.43Å; V172-L194 HydrophobicContact CG1-CD1 3.51Å; V172-L194 HydrophobicContact CG2-CD1 3.97Å
173L97Very high97.4Very high77 Ų7739.5 Ų39.540%0.40321%0.206SC..EExtended strand (participates in β ladder)trans-95.8122.9168.5-55-176.8000109.7I89 A165 A168 F175I89-L173 HydrophobicContact CD1-CB 4.37Å; I89-L173 HydrophobicContact CD1-CD2 4.22Å; A165-L173 HydrophobicContact CB-CD1 3.79Å; A168-L173 HydrophobicContact CB-CD2 3.28Å; L173-F175 HydrophobicContact CB-CE2 4.12Å; L173-F175 HydrophobicContact CB-CZ 4.48Å
174L98.1Very high97.3Very high18 Ų1840.6 Ų40.69%0.09421%0.21CC..EExtended strand (participates in β ladder)trans-122.1121.3176.8-172156.2000109.7V86 S87 I88 I89 L176 W186 L187 L190V86-L174 HydrophobicContact CG2-CB 3.5Å; V86-L174 VanDerWaalsContact CG2-CB 3.5Å; V86-L174 HydrophobicContact CG2-CD1 4.27Å; S87-L174 PolarHBondContact O-N 2.92Å; I88-L174 CarbonylContact C-O 3.37Å; I88-L174 WeakPolarHBondContact CA-O 3Å; I88-L174 HydrophobicContact CG1-CD2 4.39Å; I88-L174 HydrophobicContact CG2-CD2 4.13Å; I89-L174 PolarHBondContact N-O 3.31Å; L174-L176 HydrophobicContact CD2-CD1 4.03Å; L174-L176 HydrophobicContact CD2-CD2 3.99Å; L174-L176 HydrophobicContact CD2-CG 3.56Å; L174-W186 HydrophobicContact CD1-CH2 3.83Å; L174-W186 HydrophobicContact CD1-CZ3 3.75Å; L174-W186 HydrophobicContact CD2-CH2 3.8Å; L174-W186 HydrophobicContact CD2-CZ3 3.92Å; L174-W186 HydrophobicContact CG-CZ3 4.48Å; L174-L187 HydrophobicContact CD1-CD1 3.57Å; L174-L190 HydrophobicContact CD1-CD1 4.08Å
175F97.9Very high97.2Very high66 Ų6643.6 Ų43.629%0.28922%0.224SC..EExtended strand (participates in β ladder)trans-100.1132.6178.8-61.2-86.5000110.8I89 R161 A165 L173I89-F175 HydrophobicContact CB-CD1 3.8Å; I89-F175 HydrophobicContact CB-CE1 4.01Å; I89-F175 HydrophobicContact CD1-CD1 4.12Å; I89-F175 HydrophobicContact CD1-CE1 3.53Å; I89-F175 HydrophobicContact CD1-CZ 3.79Å; I89-F175 HydrophobicContact CG1-CE1 4.39Å; I89-F175 HydrophobicContact CG2-CD1 3.8Å; I89-F175 HydrophobicContact CG2-CE1 3.85Å; I89-F175 WeakPolarHBondContact O-CA 3.47Å; R161-F175 HydrophobicContact CB-CD1 4.06Å; R161-F175 HydrophobicContact CB-CE1 3.76Å; R161-F175 HydrophobicContact CG-CD1 3.78Å; R161-F175 HydrophobicContact CG-CE1 4.03Å; R161-F175 WeakPolarHBondContact O-CE1 3.49Å; A165-F175 HydrophobicContact CB-CZ 4.19Å; L173-F175 HydrophobicContact CB-CE2 4.12Å; L173-F175 HydrophobicContact CB-CZ 4.48Å
176L98.2Very high97.2Very high14 Ų1442.6 Ų42.67%0.07322%0.215CC..EExtended strand (participates in β ladder)trans-127143.8170.2-67.2172.8000110.7I88 I89 I90 M103 I107 L174 V182 W186 V291I88-L176 HydrophobicContact CG2-CD1 3.94Å; I88-L176 HydrophobicContact CG2-CG 4.46Å; I89-L176 PolarHBondContact O-N 2.93Å; I90-L176 HydrophobicContact CG1-CB 4.43Å; M103-L176 HydrophobicContact CE-CB 3.25Å; M103-L176 HydrophobicContact CE-CD1 3.86Å; M103-L176 HydrophobicContact CE-CG 4.19Å; I107-L176 HydrophobicContact CD1-CD1 3.64Å; I107-L176 HydrophobicContact CG1-CD1 4.15Å; L174-L176 HydrophobicContact CD2-CD1 4.03Å; L174-L176 HydrophobicContact CD2-CD2 3.99Å; L174-L176 HydrophobicContact CD2-CG 3.56Å; L176-V182 HydrophobicContact CD1-CG1 4.12Å; L176-W186 HydrophobicContact CD1-CH2 3.88Å; L176-W186 HydrophobicContact CD1-CZ3 4.28Å; L176-W186 HydrophobicContact CD2-CZ3 4.22Å; L176-V291 HydrophobicContact CD2-CG1 4.19Å
177D96.1Very high97.3Very high44 Ų4436 Ų3624%0.23519%0.189CC..EExtended strand (participates in β ladder)trans-72.4146.4167.7-75.90.7000110.2M103 R161 H179 C180 H293M103-D177 WeakPolarHBondContact CE-O 3.29Å; R161-D177 IonicContact NH2-OD1 3.2Å; R161-D177 PolarHBondContact NH2-OD1 2.83Å; D177-H179 PolarHBondContact O-N 3.24Å; D177-C180 PolarHBondContact O-N 2.9Å; D177-C180 PolarHBondContact O-SG 3.25Å; D177-H293 IonicContact OD2-CD2 2.93Å; D177-H293 IonicContact OD2-CE1 3.15Å; D177-H293 IonicContact OD2-NE2 2.65Å; D177-H293 PolarHBondContact OD2-NE2 2.85Å
178S96.7Very high97.3Very high6 Ų634 Ų344%0.04218%0.178CC..THydrogen-bonded Turntrans-63.8-2-172.758.10000116.5H92 E95 M103H92-S178 VanDerWaalsContact CB-CB 3.43Å; E95-S178 PolarHBondContact OE2-OG 3.15Å; M103-S178 WeakPolarHBondContact SD-CA 3.28Å
179H96.7Very high97.1Very high17 Ų1733.5 Ų33.58%0.07917%0.173CC..THydrogen-bonded Turntrans-132.337.3-173.347.7-83.1000112E95 V99 D177 H293 V294 R296E95-H179 IonicContact OE2-ND1 3.83Å; E95-H179 PolarHBondContact OE2-ND1 3.36Å; V99-H179 VanDerWaalsContact CG1-CA 3.42Å; V99-H179 HydrophobicContact CG1-CB 3.45Å; V99-H179 VanDerWaalsContact CG1-CB 3.45Å; D177-H179 PolarHBondContact O-N 3.24Å; H179-H293 AromaticContact CD2-CE1 3.49Å; H179-H293 PolarHBondContact CD2-CE1 2.77Å; H179-H293 VanDerWaalsContact CD2-CE1 3.49Å; H179-H293 AromaticContact CD2-ND1 3.98Å; H179-H293 AromaticContact CD2-NE2 3.61Å; H179-H293 AromaticContact NE2-CE1 3.13Å; H179-H293 PolarHBondContact NE2-CE1 2.79Å; H179-H293 AromaticContact NE2-NE2 3.17Å; H179-H293 PolarHBondContact NE2-NE2 2.89Å; H179-H293 VanDerWaalsContact NE2-NE2 3.17Å; H179-V294 HydrophobicContact CB-CB 4.21Å; H179-V294 HydrophobicContact CB-CG2 4.33Å; H179-V294 PolarHBondContact CD2-O 3.1Å; H179-V294 VanDerWaalsContact CD2-O 3.28Å; H179-V294 WeakPolarHBondContact O-CG2 3.32Å; H179-V294 PolarHBondContact O-N 3.29Å; H179-V294 VanDerWaalsContact O-N 3.13Å; H179-R296 PolarHBondContact ND1-NH2 3.38Å
180C98.2Very high97Very high6 Ų629.2 Ų29.24%0.04115%0.147CC..EExtended strand (participates in β ladder)trans-101.7159.3173.1-67.30000112.7M103 D177 V291 G292 H293M103-C180 WeakPolarHBondContact CA-O 3.05Å; M103-C180 WeakPolarHBondContact CB-O 3.27Å; M103-C180 HydrophobicContact CE-CB 4.45Å; M103-C180 VanDerWaalsContact CG-O 3.25Å; M103-C180 WeakPolarHBondContact CG-O 3.37Å; D177-C180 PolarHBondContact O-N 2.9Å; D177-C180 PolarHBondContact O-SG 3.25Å; C180-V291 HydrophobicContact CB-CG1 3.75Å; C180-G292 CarbonylContact C-O 3.54Å; C180-G292 WeakPolarHBondContact CA-O 3.44Å; C180-G292 VanDerWaalsContact CB-O 3.28Å; C180-G292 WeakPolarHBondContact CB-O 3.47Å; C180-H293 VanDerWaalsContact SG-CD2 3.53Å
181E98.3Very high97Very high4 Ų428.3 Ų28.32%0.01914%0.139CC..EExtended strand (participates in β ladder)trans-129.4125.4161.9-68.3176.9-119.400108.4R45 R102 I209 G292R45-E181 IonicContact CZ-OE1 2.7Å; R45-E181 IonicContact CZ-OE2 3.79Å; R45-E181 IonicContact NE-OE1 2.84Å; R45-E181 PolarHBondContact NE-OE1 3.04Å; R45-E181 IonicContact NE-OE2 2.7Å; R45-E181 PolarHBondContact NE-OE2 3.39Å; R45-E181 IonicContact NH2-OE1 3.38Å; R45-E181 PolarHBondContact NH2-OE1 2.83Å; R45-E181 IonicContact NH2-OE2 3.25Å; R102-E181 WeakPolarHBondContact CD-OE1 3.4Å; R102-E181 WeakPolarHBondContact CD-OE2 3.4Å; R102-E181 HydrophobicContact CG-CG 4.13Å; R102-E181 IonicContact CZ-OE1 3.89Å; R102-E181 VanDerWaalsContact NE-CD 3.34Å; R102-E181 IonicContact NE-OE1 3.48Å; R102-E181 PolarHBondContact NE-OE1 3.25Å; R102-E181 IonicContact NE-OE2 3.15Å; R102-E181 IonicContact NH2-OE1 3.92Å; E181-I209 HydrophobicContact CB-CD1 3.93Å; E181-I209 HydrophobicContact CG-CD1 3.99Å; E181-G292 PolarHBondContact N-O 2.83Å; E181-G292 PolarHBondContact O-N 2.76Å
182V98.6Very high97Very high1 Ų122.5 Ų22.51%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-82.3147.8-177.5-59.30000111.2I47 S106 I107 R110 L176 W186 V291I47-V182 WeakPolarHBondContact CD1-O 3.2Å; S106-V182 VanDerWaalsContact C-CG2 3.48Å; S106-V182 WeakPolarHBondContact O-CG2 3.42Å; S106-V182 PolarHBondContact OG-N 3.41Å; I107-V182 HydrophobicContact CG1-CG1 4Å; I107-V182 HydrophobicContact CG1-CG2 4.15Å; R110-V182 HydrophobicContact CB-CG2 4.17Å; R110-V182 WeakPolarHBondContact CD-O 3.22Å; R110-V182 PolarHBondContact NH1-O 2.76Å; L176-V182 HydrophobicContact CD1-CG1 4.12Å; V182-W186 HydrophobicContact CB-CB 4.43Å; V182-W186 HydrophobicContact CB-CD2 3.58Å; V182-W186 HydrophobicContact CB-CE3 4.24Å; V182-W186 HydrophobicContact CB-CG 3.62Å; V182-W186 HydrophobicContact CB-CZ2 4.27Å; V182-W186 HydrophobicContact CG1-CD2 3.65Å; V182-W186 HydrophobicContact CG1-CE3 3.87Å; V182-W186 HydrophobicContact CG1-CG 4.25Å; V182-W186 HydrophobicContact CG1-CH2 3.98Å; V182-W186 HydrophobicContact CG1-CZ2 3.78Å; V182-W186 HydrophobicContact CG1-CZ3 4.02Å; V182-W186 HydrophobicContact CG2-CD2 4.27Å; V182-W186 HydrophobicContact CG2-CG 4.23Å; V182-W186 HydrophobicContact CG2-CZ2 4.39Å; V182-V291 HydrophobicContact CG1-CG1 4.34Å; V182-V291 HydrophobicContact CG1-CG2 4.2Å
183N96.8Very high96.8Very high0 Ų024.1 Ų24.10%012%0.119CC..  trans-94.8179.4-178.9-144.2-46.5000112.8I47 P48 T50 E185 W186 Y216 R290I47-N183 HydrophobicContact CD1-CB 4.33Å; P48-N183 PolarHBondContact O-ND2 2.99Å; P48-N183 PolarHBondContact O-OD1 3.08Å; T50-N183 PolarHBondContact OG1-ND2 3.42Å; N183-E185 PolarHBondContact O-N 2.9Å; N183-W186 WeakPolarHBondContact O-CB 3.43Å; N183-W186 PolarHBondContact O-N 3.1Å; N183-Y216 WeakPolarHBondContact ND2-CE1 3.38Å; N183-Y216 PolarHBondContact ND2-OH 3.25Å; N183-R290 HydrophobicContact CB-CB 3.7Å; N183-R290 WeakPolarHBondContact CB-O 3.17Å; N183-R290 PolarHBondContact N-O 2.89Å; N183-R290 VanDerWaalsContact N-O 3.09Å
184E95.3Very high96.6Very high75 Ų7521.7 Ų21.735%0.3511%0.106SC..THydrogen-bonded Turntrans-59.2132.5177.5-59.8-54144.100111D49 R51 R110 W186D49-E184 HydrophobicContact CB-CG 4.32Å; R51-E184 VanDerWaalsContact CD-O 3.26Å; R51-E184 WeakPolarHBondContact CD-O 3.41Å; R51-E184 PolarHBondContact NE-O 2.99Å; R110-E184 WeakPolarHBondContact CD-OE1 3.27Å; R110-E184 IonicContact CZ-OE1 2.9Å; R110-E184 IonicContact NE-OE1 3.85Å; R110-E184 PolarHBondContact NE-OE1 3.18Å; E184-W186 PolarHBondContact O-N 3.15Å
185E95.1Very high96.4Very high64 Ų6425.1 Ų25.130%0.29912%0.122SC..THydrogen-bonded Turntrans44.134-176.8-49.5-171134.100114.9R51 N183 L187 P189R51-E185 IonicContact CZ-OE2 2.82Å; R51-E185 IonicContact NH1-OE2 3.34Å; R51-E185 PolarHBondContact NH1-OE2 3.32Å; N183-E185 PolarHBondContact O-N 2.9Å; E185-L187 PolarHBondContact O-N 3.15Å; E185-P189 WeakPolarHBondContact O-CD 3.41Å; E185-P189 WeakPolarHBondContact O-CG 3.43Å
186W97.8Very high96Very high1 Ų125.3 Ų25.30%0.00413%0.131CC..  trans-62.2-32.1-177.471.9-72000112.8I88 I107 S111 L174 L176 V182 N183 E184 L190 S289 R290 V291I88-W186 HydrophobicContact CD1-CH2 4.24Å; I88-W186 HydrophobicContact CD1-CZ2 4.19Å; I107-W186 HydrophobicContact CG2-CZ2 4.47Å; S111-W186 PolarHBondContact OG-NE1 2.89Å; L174-W186 HydrophobicContact CD1-CH2 3.83Å; L174-W186 HydrophobicContact CD1-CZ3 3.75Å; L174-W186 HydrophobicContact CD2-CH2 3.8Å; L174-W186 HydrophobicContact CD2-CZ3 3.92Å; L174-W186 HydrophobicContact CG-CZ3 4.48Å; L176-W186 HydrophobicContact CD1-CH2 3.88Å; L176-W186 HydrophobicContact CD1-CZ3 4.28Å; L176-W186 HydrophobicContact CD2-CZ3 4.22Å; V182-W186 HydrophobicContact CB-CB 4.43Å; V182-W186 HydrophobicContact CB-CD2 3.58Å; V182-W186 HydrophobicContact CB-CE3 4.24Å; V182-W186 HydrophobicContact CB-CG 3.62Å; V182-W186 HydrophobicContact CB-CZ2 4.27Å; V182-W186 HydrophobicContact CG1-CD2 3.65Å; V182-W186 HydrophobicContact CG1-CE3 3.87Å; V182-W186 HydrophobicContact CG1-CG 4.25Å; V182-W186 HydrophobicContact CG1-CH2 3.98Å; V182-W186 HydrophobicContact CG1-CZ2 3.78Å; V182-W186 HydrophobicContact CG1-CZ3 4.02Å; V182-W186 HydrophobicContact CG2-CD2 4.27Å; V182-W186 HydrophobicContact CG2-CG 4.23Å; V182-W186 HydrophobicContact CG2-CZ2 4.39Å; N183-W186 WeakPolarHBondContact O-CB 3.43Å; N183-W186 PolarHBondContact O-N 3.1Å; E184-W186 PolarHBondContact O-N 3.15Å; W186-L190 HydrophobicContact CE3-CD1 4.28Å; W186-L190 HydrophobicContact CZ3-CD1 4.37Å; W186-S289 WeakPolarHBondContact O-CB 3.26Å; W186-S289 PolarHBondContact O-OG 3.17Å; W186-R290 WeakPolarHBondContact CB-O 3.47Å; W186-V291 HydrophobicContact CD2-CG2 4.39Å; W186-V291 HydrophobicContact CE3-CG2 3.63Å; W186-V291 HydrophobicContact CZ3-CG2 4.23Å
187L98.3Very high95.6Very high0 Ų026.6 Ų26.60%014%0.137CC..Hα-helixtrans-82.7-41.5-170.1-178.259000112.5V86 V116 L174 E185 L190 L191V86-L187 HydrophobicContact CG1-CD1 4.24Å; V86-L187 HydrophobicContact CG1-CD2 4.01Å; V116-L187 HydrophobicContact CG2-CD2 3.99Å; L174-L187 HydrophobicContact CD1-CD1 3.57Å; E185-L187 PolarHBondContact O-N 3.15Å; L187-L190 WeakPolarHBondContact O-CB 3.27Å; L187-L190 PolarHBondContact O-N 2.05Å; L187-L190 VanDerWaalsContact O-N 3.1Å; L187-L191 HydrophobicContact CD1-CD1 4.04Å; L187-L191 HydrophobicContact CD1-CD2 4.26Å; L187-L191 HydrophobicContact CD1-CG 3.94Å; L187-L191 HydrophobicContact CD2-CD1 4.08Å; L187-L191 HydrophobicContact CG-CD1 3.69Å; L187-L191 HydrophobicContact CG-CG 4.02Å; L187-L191 PolarHBondContact O-N 3.45Å; L187-L191 VanDerWaalsContact O-N 3.1Å
188Q97Very high95.4Very high26 Ų2628.7 Ų28.712%0.12115%0.153CC..Hα-helixtrans-57.8-44.8-173.7-60.189.4-60.300113.8Y79 L83 P112 L190 L191 A192Y79-Q188 HydrophobicContact CD1-CB 4.27Å; Y79-Q188 HydrophobicContact CD2-CB 3.51Å; Y79-Q188 HydrophobicContact CD2-CG 4.37Å; Y79-Q188 HydrophobicContact CE2-CB 4.03Å; Y79-Q188 HydrophobicContact CG-CB 3.67Å; L83-Q188 HydrophobicContact CD1-CB 4.14Å; L83-Q188 HydrophobicContact CD1-CG 4.25Å; P112-Q188 HydrophobicContact CG-CG 4.14Å; Q188-L190 VanDerWaalsContact C-N 3.27Å; Q188-L190 PolarHBondContact O-N 3.19Å; Q188-L191 PolarHBondContact O-N 3.06Å; Q188-A192 VanDerWaalsContact O-CB 3.26Å; Q188-A192 WeakPolarHBondContact O-CB 3.29Å; Q188-A192 PolarHBondContact O-N 2.86Å
189P94.3Very high94.8Very high9 Ų929.9 Ų29.96%0.05816%0.158CC..Hα-helixtrans-59.5-36.9175.7-6.17.9000113.1Y79 E185 R193 L286 C288Y79-P189 VanDerWaalsContact CE1-CA 3.45Å; Y79-P189 HydrophobicContact CE1-CB 3.76Å; Y79-P189 HydrophobicContact CE1-CG 3.99Å; Y79-P189 HydrophobicContact CE2-CG 4.43Å; Y79-P189 WeakPolarHBondContact OH-CG 3.25Å; E185-P189 WeakPolarHBondContact O-CD 3.41Å; E185-P189 WeakPolarHBondContact O-CG 3.43Å; P189-R193 WeakPolarHBondContact O-CB 3.38Å; P189-R193 PolarHBondContact O-N 3.1Å; P189-R193 VanDerWaalsContact O-N 3.15Å; P189-L286 HydrophobicContact CB-CD1 4.46Å; P189-L286 VanDerWaalsContact O-CD1 3.26Å; P189-L286 WeakPolarHBondContact O-CD1 3.49Å; P189-C288 HydrophobicContact CB-CB 4.34Å; P189-C288 HydrophobicContact CG-CB 4.16Å
190L96.5Very high94.4Very high8 Ų829.1 Ų29.14%0.04215%0.154CC..Hα-helixtrans-67.4-50.7179.2-57.5170.5000110.3L174 W186 L187 Q188 R193 L194 V202 L286 S289L174-L190 HydrophobicContact CD1-CD1 4.08Å; W186-L190 HydrophobicContact CE3-CD1 4.28Å; W186-L190 HydrophobicContact CZ3-CD1 4.37Å; L187-L190 WeakPolarHBondContact O-CB 3.27Å; L187-L190 PolarHBondContact O-N 2.05Å; L187-L190 VanDerWaalsContact O-N 3.1Å; Q188-L190 VanDerWaalsContact C-N 3.27Å; Q188-L190 PolarHBondContact O-N 3.19Å; L190-R193 PolarHBondContact O-N 2.77Å; L190-L194 WeakPolarHBondContact O-CG 3.33Å; L190-L194 PolarHBondContact O-N 3.2Å; L190-V202 HydrophobicContact CB-CG2 3.99Å; L190-V202 HydrophobicContact CD2-CB 4.06Å; L190-V202 HydrophobicContact CD2-CG2 3.82Å; L190-V202 HydrophobicContact CG-CG2 4.49Å; L190-L286 HydrophobicContact CD2-CD1 3.99Å; L190-L286 HydrophobicContact CD2-CG 4.42Å; L190-S289 WeakPolarHBondContact CG-OG 3.26Å
191L97.4Very high94.2Very high1 Ų131.4 Ų31.41%0.00517%0.166CC..Hα-helixtrans-66.2-40.3-178.9-61.6-178.7000112.5L83 V86 Y115 V172 L187 Q188 R193 L194 Q195L83-L191 HydrophobicContact CB-CB 4.09Å; L83-L191 HydrophobicContact CB-CD1 4.24Å; L83-L191 HydrophobicContact CD1-CB 4.09Å; L83-L191 HydrophobicContact CD2-CB 4.39Å; L83-L191 HydrophobicContact CG-CB 4.42Å; V86-L191 HydrophobicContact CB-CD2 4.13Å; Y115-L191 HydrophobicContact CD2-CD1 4.27Å; Y115-L191 HydrophobicContact CG-CD1 4.41Å; V172-L191 HydrophobicContact CB-CD2 4.23Å; V172-L191 HydrophobicContact CG1-CD2 4.18Å; V172-L191 HydrophobicContact CG2-CD2 4.13Å; L187-L191 HydrophobicContact CD1-CD1 4.04Å; L187-L191 HydrophobicContact CD1-CD2 4.26Å; L187-L191 HydrophobicContact CD1-CG 3.94Å; L187-L191 HydrophobicContact CD2-CD1 4.08Å; L187-L191 HydrophobicContact CG-CD1 3.69Å; L187-L191 HydrophobicContact CG-CG 4.02Å; L187-L191 PolarHBondContact O-N 3.45Å; L187-L191 VanDerWaalsContact O-N 3.1Å; Q188-L191 PolarHBondContact O-N 3.06Å; L191-R193 VanDerWaalsContact C-N 3.27Å; L191-R193 PolarHBondContact O-N 3.16Å; L191-L194 PolarHBondContact O-N 3.25Å; L191-Q195 WeakPolarHBondContact O-CB 3.42Å; L191-Q195 PolarHBondContact O-N 2.59Å
192A95.3Very high93.9Very high17 Ų1732.5 Ų32.514%0.1417%0.173CC..Hα-helixtrans-63.3-35.5176.100000111.9Y79 P80 L83 Q188 S196Y79-A192 HydrophobicContact CD1-CB 3.85Å; P80-A192 HydrophobicContact CG-CB 4.22Å; L83-A192 HydrophobicContact CD2-CB 3.99Å; Q188-A192 VanDerWaalsContact O-CB 3.26Å; Q188-A192 WeakPolarHBondContact O-CB 3.29Å; Q188-A192 PolarHBondContact O-N 2.86Å; A192-S196 PolarHBondContact O-N 3.34Å; A192-S196 PolarHBondContact O-OG 3.22Å
193R92.8Very high93.6Very high53 Ų5334.5 Ų34.520%0.219%0.186CC..Hα-helixtrans-68-43.9174.9-175.359.4178.8148.96.1111.4P189 L190 L191 S196 H197 V202 E284 L286P189-R193 WeakPolarHBondContact O-CB 3.38Å; P189-R193 PolarHBondContact O-N 3.1Å; P189-R193 VanDerWaalsContact O-N 3.15Å; L190-R193 PolarHBondContact O-N 2.77Å; L191-R193 VanDerWaalsContact C-N 3.27Å; L191-R193 PolarHBondContact O-N 3.16Å; R193-S196 PolarHBondContact O-N 3.1Å; R193-S196 PolarHBondContact O-OG 3.06Å; R193-S196 VanDerWaalsContact O-OG 3.05Å; R193-H197 PolarHBondContact NH1-CD2 3.48Å; R193-H197 PolarHBondContact NH1-CE1 3.29Å; R193-H197 PolarHBondContact NH1-ND1 2.85Å; R193-H197 PolarHBondContact NH1-NE2 3.49Å; R193-H197 PolarHBondContact O-N 3.4Å; R193-V202 HydrophobicContact CB-CG1 4.03Å; R193-V202 HydrophobicContact CG-CG1 3.56Å; R193-E284 IonicContact CZ-OE1 2.8Å; R193-E284 IonicContact CZ-OE2 3.6Å; R193-E284 VanDerWaalsContact CZ-OE2 3.22Å; R193-E284 IonicContact NE-OE1 2.74Å; R193-E284 IonicContact NE-OE2 2.71Å; R193-E284 PolarHBondContact NE-OE2 2.95Å; R193-E284 VanDerWaalsContact NH2-CD 3.27Å; R193-E284 IonicContact NH2-OE1 3.78Å; R193-E284 PolarHBondContact NH2-OE1 3.17Å; R193-E284 IonicContact NH2-OE2 2.67Å; R193-E284 PolarHBondContact NH2-OE2 3.25Å; R193-E284 VanDerWaalsContact NH2-OE2 3.11Å; R193-L286 HydrophobicContact CB-CD1 3.64Å; R193-L286 HydrophobicContact CG-CD1 4.06Å; R193-L286 HydrophobicContact CG-CD2 4.28Å
194L92.9Very high93.5Very high25 Ų2535.3 Ų35.313%0.13119%0.192CC..Hα-helixtrans-69.7-30.2178-67.2174.5000113.4V172 L190 L191 S196 H197 P198 T200 V202V172-L194 HydrophobicContact CB-CD1 4.43Å; V172-L194 HydrophobicContact CG1-CD1 3.51Å; V172-L194 HydrophobicContact CG2-CD1 3.97Å; L190-L194 WeakPolarHBondContact O-CG 3.33Å; L190-L194 PolarHBondContact O-N 3.2Å; L191-L194 PolarHBondContact O-N 3.25Å; L194-S196 VanDerWaalsContact C-N 3.33Å; L194-H197 CarbonylContact O-C 3.38Å; L194-H197 PolarHBondContact O-N 2.89Å; L194-P198 WeakPolarHBondContact O-CA 3.4Å; L194-P198 WeakPolarHBondContact O-CD 3.26Å; L194-T200 WeakPolarHBondContact CD2-O 3.49Å; L194-V202 HydrophobicContact CD1-CG2 3.88Å; L194-V202 HydrophobicContact CD2-CG1 4.14Å; L194-V202 HydrophobicContact CD2-CG2 4.03Å; L194-V202 HydrophobicContact CG-CG1 4.41Å; L194-V202 HydrophobicContact CG-CG2 3.81Å
195Q93.1Very high93.1Very high90 Ų9031.8 Ų31.842%0.42118%0.175SC..Hα-helixtrans-62-43.3173.6-178.8176.96400111.6P82 P84 L191P82-Q195 PolarHBondContact O-NE2 3.24Å; P84-Q195 HydrophobicContact CG-CB 3.93Å; P84-Q195 HydrophobicContact CG-CG 4.42Å; L191-Q195 WeakPolarHBondContact O-CB 3.42Å; L191-Q195 PolarHBondContact O-N 2.59Å
196S90.9Very high92.9Very high70 Ų7030.5 Ų30.549%0.4917%0.17SC..Hα-helixtrans-82.3-28.5-179.854.30000112.7A192 R193 L194A192-S196 PolarHBondContact O-N 3.34Å; A192-S196 PolarHBondContact O-OG 3.22Å; R193-S196 PolarHBondContact O-N 3.1Å; R193-S196 PolarHBondContact O-OG 3.06Å; R193-S196 VanDerWaalsContact O-OG 3.05Å; L194-S196 VanDerWaalsContact C-N 3.33Å
197H90.2Very high92.7Very high42 Ų4230.4 Ų30.419%0.19417%0.17CC..  trans-139.771-174-60.570.8000110.4R193 L194 E199 T200 R282R193-H197 PolarHBondContact NH1-CD2 3.48Å; R193-H197 PolarHBondContact NH1-CE1 3.29Å; R193-H197 PolarHBondContact NH1-ND1 2.85Å; R193-H197 PolarHBondContact NH1-NE2 3.49Å; R193-H197 PolarHBondContact O-N 3.4Å; L194-H197 CarbonylContact O-C 3.38Å; L194-H197 PolarHBondContact O-N 2.89Å; H197-E199 WeakPolarHBondContact CA-OE2 3.22Å; H197-E199 IonicContact CD2-OE1 2.88Å; H197-E199 IonicContact CG-OE1 3.96Å; H197-E199 PolarHBondContact O-N 2.73Å; H197-T200 WeakPolarHBondContact O-CB 3.39Å; H197-T200 PolarHBondContact O-N 2.88Å; H197-T200 VanDerWaalsContact O-N 3.16Å; H197-T200 PolarHBondContact O-OG1 3.47Å; H197-R282 PolarHBondContact CD2-NH2 2.96Å; H197-R282 VanDerWaalsContact CG-NH2 3.31Å
198P90.1Very high92.4Very high87 Ų8732.8 Ų32.857%0.56518%0.184SC*.THydrogen-bonded Turntrans-63.7-7.1-176.428-37.5000113.7L194 L252L194-P198 WeakPolarHBondContact O-CA 3.4Å; L194-P198 WeakPolarHBondContact O-CD 3.26Å; P198-L252 VanDerWaalsContact O-CD1 3.32Å; P198-L252 WeakPolarHBondContact O-CD1 3.41Å
199E85.2Confident92.3Very high32 Ų3231.6 Ų31.615%0.1518%0.179CC..THydrogen-bonded Turntrans-94.67.7179.677.2-63.7160.900115H197 V249 Q250 R282H197-E199 WeakPolarHBondContact CA-OE2 3.22Å; H197-E199 IonicContact CD2-OE1 2.88Å; H197-E199 IonicContact CG-OE1 3.96Å; H197-E199 PolarHBondContact O-N 2.73Å; E199-V249 HydrophobicContact CB-CB 4.3Å; E199-V249 HydrophobicContact CB-CG1 3.58Å; E199-V249 HydrophobicContact CG-CB 3.42Å; E199-V249 VanDerWaalsContact CG-CB 3.42Å; E199-V249 HydrophobicContact CG-CG1 3.16Å; E199-V249 HydrophobicContact CG-CG2 4.17Å; E199-Q250 VanDerWaalsContact CB-O 3.27Å; E199-Q250 WeakPolarHBondContact CB-O 3.45Å; E199-R282 IonicContact OE1-CZ 2.89Å; E199-R282 VanDerWaalsContact OE1-CZ 3.28Å; E199-R282 IonicContact OE1-NH1 3.64Å; E199-R282 PolarHBondContact OE1-NH1 2.9Å; E199-R282 IonicContact OE1-NH2 4Å; E199-R282 PolarHBondContact OE1-NH2 3.23Å
200T88.9Confident92.2Very high1 Ų133.2 Ų33.21%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-106.2142.8-176.9-54.50000111.2L194 H197 V202 L252 R282 E284L194-T200 WeakPolarHBondContact CD2-O 3.49Å; H197-T200 WeakPolarHBondContact O-CB 3.39Å; H197-T200 PolarHBondContact O-N 2.88Å; H197-T200 VanDerWaalsContact O-N 3.16Å; H197-T200 PolarHBondContact O-OG1 3.47Å; T200-V202 HydrophobicContact CG2-CG1 3.81Å; T200-L252 WeakPolarHBondContact O-CD1 3.41Å; T200-R282 HydrophobicContact CG2-CG 4.03Å; T200-R282 PolarHBondContact OG1-NE 2.65Å; T200-R282 PolarHBondContact OG1-NH2 2.98Å; T200-E284 HydrophobicContact CG2-CB 4.09Å; T200-E284 HydrophobicContact CG2-CG 3.8Å
201I92.4Very high92Very high54 Ų5433.1 Ų33.128%0.27719%0.187SC..EExtended strand (participates in β ladder)trans-92.2123.4161.4-60.7-170.6000108.2L252 L255 M272 V276 R282 I283 E284I201-L252 HydrophobicContact CG1-CD1 4.38Å; I201-L252 HydrophobicContact CG1-CD2 4.16Å; I201-L255 HydrophobicContact CD1-CD2 4.42Å; I201-M272 HydrophobicContact CD1-CG 4.46Å; I201-M272 HydrophobicContact CD1-SD 4.38Å; I201-V276 HydrophobicContact CD1-CG1 4.37Å; I201-V276 HydrophobicContact CD1-CG2 3.43Å; I201-V276 VanDerWaalsContact CD1-CG2 3.43Å; I201-V276 HydrophobicContact CG1-CG2 4.39Å; I201-R282 PolarHBondContact N-O 3.22Å; I201-I283 HydrophobicContact CB-CG1 4.35Å; I201-I283 CarbonylContact O-C 3.51Å; I201-I283 VanDerWaalsContact O-CA 3.27Å; I201-I283 WeakPolarHBondContact O-CA 3.36Å; I201-E284 PolarHBondContact O-N 3.45Å
202V92.9Very high91.7Very high27 Ų2733.1 Ų33.116%0.16419%0.187CC..EExtended strand (participates in β ladder)trans-109.2144.3-179-62.70000111L190 R193 L194 T200 E284 L286L190-V202 HydrophobicContact CB-CG2 3.99Å; L190-V202 HydrophobicContact CD2-CB 4.06Å; L190-V202 HydrophobicContact CD2-CG2 3.82Å; L190-V202 HydrophobicContact CG-CG2 4.49Å; R193-V202 HydrophobicContact CB-CG1 4.03Å; R193-V202 HydrophobicContact CG-CG1 3.56Å; L194-V202 HydrophobicContact CD1-CG2 3.88Å; L194-V202 HydrophobicContact CD2-CG1 4.14Å; L194-V202 HydrophobicContact CD2-CG2 4.03Å; L194-V202 HydrophobicContact CG-CG1 4.41Å; L194-V202 HydrophobicContact CG-CG2 3.81Å; T200-V202 HydrophobicContact CG2-CG1 3.81Å; V202-E284 CarbonylContact C-O 3.55Å; V202-E284 WeakPolarHBondContact CA-O 3.36Å; V202-L286 HydrophobicContact CB-CD1 4.25Å; V202-L286 HydrophobicContact CB-CG 4.47Å; V202-L286 HydrophobicContact CG1-CD1 4.27Å
203S92.5Very high91.5Very high42 Ų4232.6 Ų32.629%0.29418%0.182SC..EExtended strand (participates in β ladder)trans-129.3141.1174.7-1770000110.4E284 V285 L286S203-E284 PolarHBondContact N-O 2.88Å; S203-V285 CarbonylContact O-C 3.59Å; S203-V285 WeakPolarHBondContact O-CA 3.27Å; S203-L286 PolarHBondContact O-N 2.82Å
204P94.9Very high91.6Very high18 Ų1830 Ų3012%0.11717%0.172CC..EExtended strand (participates in β ladder)trans-63163.6161.729-34.4000110.6I206 S289 V291P204-I206 HydrophobicContact CG-CD1 3.93Å; P204-S289 WeakPolarHBondContact CA-O 3.08Å; P204-S289 WeakPolarHBondContact CB-O 3.34Å; P204-S289 WeakPolarHBondContact CB-OG 3.36Å; P204-V291 HydrophobicContact CB-CB 4.26Å; P204-V291 HydrophobicContact CB-CG2 3.81Å; P204-V291 HydrophobicContact CG-CB 4.03Å; P204-V291 HydrophobicContact CG-CG2 3.68Å
205V86.9Confident91.7Very high1 Ų132.5 Ų32.51%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-72.1133.5156.9177.50000108.1I221 V285 S289 V291V205-I221 HydrophobicContact CG2-CG1 4.36Å; V205-V285 HydrophobicContact CB-CG1 4.5Å; V205-V285 HydrophobicContact CG2-CG1 3.59Å; V205-S289 PolarHBondContact N-O 3.3Å; V205-V291 PolarHBondContact O-N 3.03Å; V205-V291 VanDerWaalsContact O-N 3.13Å
206I90.3Very high91.7Very high36 Ų3628.7 Ų28.719%0.18517%0.165CC..EExtended strand (participates in β ladder)trans-89.7109.8-179.1-50-55.2000108.6P204 S219 W234 V291 H293 F295P204-I206 HydrophobicContact CG-CD1 3.93Å; I206-S219 WeakPolarHBondContact O-CB 3.13Å; I206-S219 PolarHBondContact O-OG 2.9Å; I206-W234 HydrophobicContact CB-CH2 4.38Å; I206-W234 HydrophobicContact CG1-CH2 4Å; I206-V291 CarbonylContact C-O 3.58Å; I206-V291 WeakPolarHBondContact CA-O 3.08Å; I206-H293 HydrophobicContact CG2-CB 3.5Å; I206-F295 HydrophobicContact CG2-CE2 4.2Å; I206-F295 HydrophobicContact CG2-CZ 3.74Å
207D94Very high91.7Very high0 Ų027.7 Ų27.70%016%0.161CC..EExtended strand (participates in β ladder)trans-83.4163.9173.5-74.9-12.5000110.5T50 Y216 A217 S219 R290 V291 G292 H293T50-D207 VanDerWaalsContact CB-OD2 3.29Å; T50-D207 WeakPolarHBondContact CB-OD2 3.49Å; T50-D207 PolarHBondContact OG1-OD2 3.15Å; D207-Y216 HydrophobicContact CB-CE1 3.82Å; D207-Y216 WeakPolarHBondContact OD2-CE1 3.43Å; D207-Y216 PolarHBondContact OD2-OH 3.46Å; D207-Y216 VanDerWaalsContact OD2-OH 3.07Å; D207-A217 WeakPolarHBondContact CB-O 3.27Å; D207-S219 PolarHBondContact OD1-N 3.03Å; D207-R290 IonicContact OD1-CZ 3.22Å; D207-R290 IonicContact OD1-NH1 3.11Å; D207-R290 PolarHBondContact OD1-NH1 3.49Å; D207-V291 PolarHBondContact N-O 3.46Å; D207-G292 CarbonylContact O-C 3.6Å; D207-G292 WeakPolarHBondContact O-CA 3.44Å; D207-H293 PolarHBondContact O-N 3.21Å
208V91.9Very high91.3Very high50 Ų5027.7 Ų27.730%0.30317%0.173SC..EExtended strand (participates in β ladder)trans-97.7130.1-175173.20000109.8Y216 A217 S219 F295V208-Y216 WeakPolarHBondContact O-CA 2.99Å; V208-A217 PolarHBondContact N-O 3.29Å; V208-A217 PolarHBondContact O-N 3Å; V208-S219 WeakPolarHBondContact CG2-OG 3.36Å; V208-F295 HydrophobicContact CB-CD2 4.35Å; V208-F295 HydrophobicContact CB-CE2 4.36Å; V208-F295 HydrophobicContact CG1-CD2 4.24Å; V208-F295 HydrophobicContact CG2-CD2 3.89Å; V208-F295 HydrophobicContact CG2-CE2 3.67Å
209I95.5Very high90.9Very high1 Ų124.6 Ų24.61%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-107.1111.7158.9-57.8170.5000106.6E181 S211 F214 E215 Y216 H293 V294E181-I209 HydrophobicContact CB-CD1 3.93Å; E181-I209 HydrophobicContact CG-CD1 3.99Å; I209-S211 PolarHBondContact O-N 2.87Å; I209-F214 HydrophobicContact CG2-CB 4.32Å; I209-F214 HydrophobicContact CG2-CD1 3.88Å; I209-F214 HydrophobicContact CG2-CG 4.36Å; I209-E215 WeakPolarHBondContact CA-O 3.42Å; I209-Y216 HydrophobicContact CD1-CD2 4.26Å; I209-Y216 HydrophobicContact CG1-CD2 3.83Å; I209-Y216 HydrophobicContact CG1-CE2 4.4Å; I209-H293 PolarHBondContact N-O 3.26Å; I209-V294 HydrophobicContact CB-CG2 3.78Å; I209-V294 HydrophobicContact CD1-CG2 4.28Å; I209-V294 HydrophobicContact CG2-CG2 3.67Å; I209-V294 WeakPolarHBondContact O-CA 3.23Å
210D91.2Very high90.3Very high42 Ų4226.7 Ų26.723%0.22517%0.169CC..  trans-61.6130.2-176.2175-88.1000111.1D212 T213 F214 E215D210-D212 PolarHBondContact O-N 2.83Å; D210-D212 VanDerWaalsContact O-N 3.17Å; D210-D212 WeakPolarHBondContact OD1-CA 3.23Å; D210-D212 PolarHBondContact OD1-N 3.38Å; D210-T213 VanDerWaalsContact CB-OG1 3.31Å; D210-T213 WeakPolarHBondContact CB-OG1 3.48Å; D210-T213 VanDerWaalsContact CG-OG1 3.26Å; D210-T213 WeakPolarHBondContact OD1-CB 3.36Å; D210-T213 WeakPolarHBondContact OD1-CG2 3.38Å; D210-T213 PolarHBondContact OD1-N 2.77Å; D210-T213 PolarHBondContact OD1-OG1 3.4Å; D210-F214 WeakPolarHBondContact O-CA 3.49Å; D210-F214 PolarHBondContact O-N 2.99Å; D210-E215 PolarHBondContact N-O 3.36Å
211S93.3Very high89.5Confident7 Ų729.3 Ų29.35%0.04918%0.182CC..THydrogen-bonded Turntrans-66.7-19.3-173.8650000113.9F33 N34 I209F33-S211 WeakPolarHBondContact CB-O 3.49Å; N34-S211 WeakPolarHBondContact CB-O 3.09Å; N34-S211 PolarHBondContact N-O 3.19Å; I209-S211 PolarHBondContact O-N 2.87Å
212D91.1Very high88.4Confident0 Ų027.3 Ų27.30%017%0.173CC..THydrogen-bonded Turntrans-103.6-30.5-170.5-55.4-19.8000111.6Y28 N34 D210 K297 S465 A481Y28-D212 PolarHBondContact OH-OD1 2.04Å; N34-D212 WeakPolarHBondContact CB-O 3.41Å; N34-D212 PolarHBondContact ND2-O 3.29Å; D210-D212 PolarHBondContact O-N 2.83Å; D210-D212 VanDerWaalsContact O-N 3.17Å; D210-D212 WeakPolarHBondContact OD1-CA 3.23Å; D210-D212 PolarHBondContact OD1-N 3.38Å; D212-K297 IonicContact OD1-NZ 3.52Å; D212-K297 PolarHBondContact OD1-NZ 3.17Å; D212-K297 IonicContact OD2-NZ 3.44Å; D212-K297 PolarHBondContact OD2-NZ 3.39Å; D212-S465 WeakPolarHBondContact OD2-CB 3.12Å; D212-S465 PolarHBondContact OD2-OG 2.97Å; D212-A481 WeakPolarHBondContact OD2-CB 3.21Å
213T91.7Very high87.6Confident6 Ų626.9 Ų26.94%0.03717%0.17CC..THydrogen-bonded Turntrans-115.7-18-175.963.60000112.9I12 D210 E215 K480I12-T213 WeakPolarHBondContact CG2-O 3.27Å; D210-T213 VanDerWaalsContact CB-OG1 3.31Å; D210-T213 WeakPolarHBondContact CB-OG1 3.48Å; D210-T213 VanDerWaalsContact CG-OG1 3.26Å; D210-T213 WeakPolarHBondContact OD1-CB 3.36Å; D210-T213 WeakPolarHBondContact OD1-CG2 3.38Å; D210-T213 PolarHBondContact OD1-N 2.77Å; D210-T213 PolarHBondContact OD1-OG1 3.4Å; T213-E215 PolarHBondContact O-N 3.08Å; T213-E215 WeakPolarHBondContact OG1-CB 3.42Å; T213-E215 PolarHBondContact OG1-N 3.35Å; T213-K480 HydrophobicContact CG2-CB 4.01Å; T213-K480 HydrophobicContact CG2-CD 3.77Å; T213-K480 HydrophobicContact CG2-CG 4.27Å
214F94.4Very high87.1Confident0 Ų027 Ų270%018%0.177CC..  trans60.412.8-168.9-81.1-101.6000114.1F33 N34 A37 V41 R45 V99 R102 I209 D210 Y216 V294F33-F214 HydrophobicContact CB-CE2 4.4Å; F33-F214 HydrophobicContact CB-CZ 4.42Å; F33-F214 AromaticContact CD2-CE2 3.87Å; F33-F214 HydrophobicContact CD2-CE2 3.87Å; F33-F214 AromaticContact CD2-CZ 3.49Å; F33-F214 HydrophobicContact CD2-CZ 3.49Å; F33-F214 VanDerWaalsContact CD2-CZ 3.49Å; F33-F214 AromaticContact CE2-CZ 3.88Å; F33-F214 HydrophobicContact CE2-CZ 3.88Å; F33-F214 HydrophobicContact CG-CE2 4.41Å; F33-F214 HydrophobicContact CG-CZ 4.04Å; N34-F214 VanDerWaalsContact O-CE2 3.23Å; N34-F214 WeakPolarHBondContact O-CE2 3.48Å; A37-F214 HydrophobicContact CB-CD2 3.92Å; V41-F214 HydrophobicContact CG2-CB 3.92Å; R45-F214 PolarHBondContact NH1-O 2.83Å; R45-F214 PolarHBondContact NH2-O 2.92Å; V99-F214 HydrophobicContact CG2-CE1 3.83Å; V99-F214 HydrophobicContact CG2-CZ 4.01Å; R102-F214 VanDerWaalsContact NH2-CD1 3.35Å; R102-F214 VanDerWaalsContact NH2-CE1 3.29Å; I209-F214 HydrophobicContact CG2-CB 4.32Å; I209-F214 HydrophobicContact CG2-CD1 3.88Å; I209-F214 HydrophobicContact CG2-CG 4.36Å; D210-F214 WeakPolarHBondContact O-CA 3.49Å; D210-F214 PolarHBondContact O-N 2.99Å; F214-Y216 PolarHBondContact O-N 3.26Å; F214-V294 HydrophobicContact CD1-CG2 4.42Å; F214-V294 HydrophobicContact CE1-CG2 3.83Å; F214-V294 HydrophobicContact CZ-CG2 4.42Å
215E93.8Very high86.8Confident77 Ų7726.3 Ų26.336%0.3617%0.174SC..  trans-61.7133.8175.6-172.2163.2-161.600110.7Y9 I209 D210 T213 K480Y9-E215 HydrophobicContact CD1-CB 3.88Å; Y9-E215 HydrophobicContact CD1-CG 4.35Å; Y9-E215 HydrophobicContact CD2-CB 4.26Å; Y9-E215 HydrophobicContact CD2-CG 3.83Å; Y9-E215 HydrophobicContact CE1-CB 4.4Å; Y9-E215 HydrophobicContact CE2-CG 4.28Å; Y9-E215 HydrophobicContact CG-CB 3.81Å; Y9-E215 HydrophobicContact CG-CG 3.88Å; I209-E215 WeakPolarHBondContact CA-O 3.42Å; D210-E215 PolarHBondContact N-O 3.36Å; T213-E215 PolarHBondContact O-N 3.08Å; T213-E215 WeakPolarHBondContact OG1-CB 3.42Å; T213-E215 PolarHBondContact OG1-N 3.35Å; E215-K480 IonicContact OE2-NZ 3.98Å
216Y94.4Very high87Confident9 Ų926.6 Ų26.64%0.03518%0.175CC..EExtended strand (participates in β ladder)trans-92123.5178-171.9-71.8000109.1I47 P48 T50 N183 D207 V208 I209 F214 G292I47-Y216 HydrophobicContact CB-CD1 4.46Å; I47-Y216 HydrophobicContact CB-CD2 4.16Å; I47-Y216 HydrophobicContact CB-CG 4.08Å; I47-Y216 HydrophobicContact CD1-CD2 3.89Å; I47-Y216 HydrophobicContact CD1-CE2 3.55Å; I47-Y216 HydrophobicContact CD1-CG 4.49Å; I47-Y216 HydrophobicContact CG2-CD2 4.04Å; I47-Y216 HydrophobicContact CG2-CG 4.23Å; P48-Y216 HydrophobicContact CG-CD1 4.01Å; T50-Y216 HydrophobicContact CG2-CD1 4.1Å; T50-Y216 HydrophobicContact CG2-CE1 3.66Å; N183-Y216 WeakPolarHBondContact ND2-CE1 3.38Å; N183-Y216 PolarHBondContact ND2-OH 3.25Å; D207-Y216 HydrophobicContact CB-CE1 3.82Å; D207-Y216 WeakPolarHBondContact OD2-CE1 3.43Å; D207-Y216 PolarHBondContact OD2-OH 3.46Å; D207-Y216 VanDerWaalsContact OD2-OH 3.07Å; V208-Y216 WeakPolarHBondContact O-CA 2.99Å; I209-Y216 HydrophobicContact CD1-CD2 4.26Å; I209-Y216 HydrophobicContact CG1-CD2 3.83Å; I209-Y216 HydrophobicContact CG1-CE2 4.4Å; F214-Y216 PolarHBondContact O-N 3.26Å; Y216-G292 VanDerWaalsContact CE2-CA 3.4Å; Y216-G292 PolarHBondContact OH-N 2.79Å
217A89.4Confident86.9Confident49 Ų4926 Ų2641%0.40517%0.173SC..EExtended strand (participates in β ladder)trans-130.3135.4179.400000111.3D207 V208D207-A217 WeakPolarHBondContact CB-O 3.27Å; V208-A217 PolarHBondContact N-O 3.29Å; V208-A217 PolarHBondContact O-N 3Å
218G83.3Confident86.8Confident43 Ų4328.1 Ų28.144%0.44318%0.18SC..  trans-63.7140.9174.500000111.1
219S79.9Confident86.7Confident22 Ų2230.1 Ų30.115%0.15419%0.185CC..  trans-104.1149.4176.1-70.80000112.3I206 D207 V208 R290I206-S219 WeakPolarHBondContact O-CB 3.13Å; I206-S219 PolarHBondContact O-OG 2.9Å; D207-S219 PolarHBondContact OD1-N 3.03Å; V208-S219 WeakPolarHBondContact CG2-OG 3.36Å; S219-R290 PolarHBondContact O-NH1 3.28Å
220P73.3Confident86.6Confident75 Ų7530.2 Ų30.249%0.48719%0.186SC..  trans-58.9156.6166.827.3-36.4000111C222 Y236P220-C222 PolarHBondContact O-N 2.92Å; P220-Y236 HydrophobicContact CB-CE1 4.14Å; P220-Y236 HydrophobicContact CG-CE1 3.66Å
221I71.7Confident86.5Confident56 Ų5632 Ų3229%0.28719%0.193SC..  trans-66.8119.5172.1-59.3167000107.7V205 P287V205-I221 HydrophobicContact CG2-CG1 4.36Å; I221-P287 HydrophobicContact CD1-CB 3.8Å; I221-P287 HydrophobicContact CD1-CG 3.68Å; I221-P287 HydrophobicContact CG1-CB 4.26Å; I221-P287 HydrophobicContact CG1-CG 4.3Å
222C70.1Confident86.3Confident12 Ų1235.9 Ų35.98%0.08121%0.209CC..  trans-127159.8174.352.80000109.6P220 W234 D235 Y236P220-C222 PolarHBondContact O-N 2.92Å; C222-W234 HydrophobicContact CB-CB 4.4Å; C222-W234 HydrophobicContact CB-CE3 4.07Å; C222-D235 CarbonylContact C-O 3.6Å; C222-D235 WeakPolarHBondContact CA-O 3.47Å; C222-D235 WeakPolarHBondContact CB-O 3.37Å; C222-Y236 HydrophobicContact CB-CD1 4.26Å; C222-Y236 HydrophobicContact CB-CE1 4.12Å
223I76.1Confident85.8Confident19 Ų1938.8 Ų38.810%0.09722%0.221CC..EExtended strand (participates in β ladder)trans-115.4152.3173.862.7175.1000109.3D235 P237 Y241I223-D235 HydrophobicContact CD1-CB 4.46Å; I223-D235 HydrophobicContact CG1-CB 3.9Å; I223-D235 PolarHBondContact N-O 2.95Å; I223-D235 PolarHBondContact O-N 3.29Å; I223-P237 HydrophobicContact CG2-CB 4.47Å; I223-P237 HydrophobicContact CG2-CG 4.37Å; I223-Y241 HydrophobicContact CD1-CD2 4.32Å; I223-Y241 HydrophobicContact CD1-CE2 4.12Å; I223-Y241 HydrophobicContact CG2-CE1 4.24Å; I223-Y241 HydrophobicContact CG2-CE2 4.19Å
224G82.7Confident85.2Confident43 Ų4343.5 Ų43.544%0.44324%0.239SC..EExtended strand (participates in β ladder)trans-74127.8172.800000111
225G87.6Confident84.2Confident5 Ų545 Ų455%0.05225%0.246CC..EExtended strand (participates in β ladder)trans-124.2-178174.600000112F232 K233 Y369G225-F232 WeakPolarHBondContact O-CA 3.37Å; G225-K233 WeakPolarHBondContact CA-O 3.44Å; G225-K233 PolarHBondContact N-O 2.89Å; G225-K233 PolarHBondContact O-N 2.81Å; G225-Y369 VanDerWaalsContact CA-OH 3.31Å; G225-Y369 WeakPolarHBondContact CA-OH 3.3Å
226M90.4Very high83.1Confident7 Ų748.6 Ų48.63%0.03426%0.258CS..EExtended strand (participates in β ladder)trans-147.615917566-173.1179.100112.9L230 H231 K233 I270 I274 F361 F364 Y369 L372M226-L230 HydrophobicContact CE-CD2 4.4Å; M226-L230 HydrophobicContact SD-CD2 3.74Å; M226-H231 CarbonylContact C-O 3.5Å; M226-H231 WeakPolarHBondContact CA-O 3.46Å; M226-K233 VanDerWaalsContact O-CE 3.31Å; M226-K233 WeakPolarHBondContact O-CE 3.45Å; M226-I270 HydrophobicContact CB-CD1 4Å; M226-I270 HydrophobicContact SD-CG2 3.52Å; M226-I270 VanDerWaalsContact SD-CG2 3.52Å; M226-I274 HydrophobicContact CE-CD1 4.06Å; M226-I274 HydrophobicContact CE-CG1 4.23Å; M226-I274 HydrophobicContact SD-CD1 4.22Å; M226-F361 HydrophobicContact CE-CE2 4.08Å; M226-F361 HydrophobicContact CE-CZ 3.75Å; M226-F364 HydrophobicContact CE-CE1 3.77Å; M226-F364 HydrophobicContact CE-CZ 4.45Å; M226-Y369 HydrophobicContact CG-CE1 4.12Å; M226-Y369 PolarHBondContact N-OH 3.44Å; M226-Y369 VanDerWaalsContact N-OH 3.15Å; M226-Y369 PolarHBondContact O-OH 3.27Å; M226-L372 HydrophobicContact CE-CD2 3.66Å; M226-L372 HydrophobicContact CG-CD2 4.25Å; M226-L372 WeakPolarHBondContact O-CD1 3.49Å
227D89.5Confident81.6Confident24 Ų2449.6 Ų49.613%0.12827%0.265CS..  trans-93.4175.6165.572.24.9000111.1K229 L230 H231 E376D227-K229 PolarHBondContact O-N 2.83Å; D227-K229 VanDerWaalsContact O-N 3.15Å; D227-K229 VanDerWaalsContact OD1-C 3.25Å; D227-K229 VanDerWaalsContact OD1-CA 3.24Å; D227-K229 WeakPolarHBondContact OD1-CA 3.46Å; D227-K229 VanDerWaalsContact OD1-CB 3.24Å; D227-K229 WeakPolarHBondContact OD1-CB 3.38Å; D227-K229 PolarHBondContact OD1-N 3.29Å; D227-L230 PolarHBondContact O-N 3.03Å; D227-L230 PolarHBondContact OD1-N 2.94Å; D227-H231 PolarHBondContact N-O 3.36Å; D227-H231 VanDerWaalsContact N-O 3.09Å; D227-H231 IonicContact OD1-CG 3.93Å; D227-H231 PolarHBondContact OD1-N 3.09Å; D227-H231 IonicContact OD1-ND1 2.85Å; D227-H231 IonicContact OD2-CG 3.6Å; D227-H231 IonicContact OD2-ND1 3.92Å; D227-H231 PolarHBondContact OD2-ND1 3.27Å; D227-E376 VanDerWaalsContact CB-OE1 3.28Å; D227-E376 WeakPolarHBondContact CB-OE1 3.43Å
228W91.1Very high80.2Confident43 Ų4352.8 Ų52.816%0.16327%0.272CS..THydrogen-bonded Turntrans-67.6-7.7175.5-80.2109.3000114.1L230 Y325 R329 F330 F361 L365 L372W228-L230 VanDerWaalsContact C-N 3.32Å; W228-Y325 AromaticContact CH2-CD1 3.5Å; W228-Y325 HydrophobicContact CH2-CD1 3.5Å; W228-Y325 HydrophobicContact CH2-CE1 4.16Å; W228-Y325 HydrophobicContact CH2-CG 4Å; W228-Y325 HydrophobicContact CZ2-CD1 4.39Å; W228-Y325 HydrophobicContact CZ3-CD1 4.08Å; W228-Y325 HydrophobicContact CZ3-CG 4.2Å; W228-R329 HydrophobicContact CD2-CB 3.65Å; W228-R329 HydrophobicContact CD2-CG 3.95Å; W228-R329 HydrophobicContact CE3-CB 3.31Å; W228-R329 HydrophobicContact CE3-CG 3.82Å; W228-R329 HydrophobicContact CG-CB 4.31Å; W228-R329 HydrophobicContact CH2-CB 4.16Å; W228-R329 HydrophobicContact CH2-CG 3.72Å; W228-R329 HydrophobicContact CZ2-CB 4.44Å; W228-R329 HydrophobicContact CZ2-CG 3.86Å; W228-R329 HydrophobicContact CZ3-CB 3.6Å; W228-R329 HydrophobicContact CZ3-CG 3.71Å; W228-F330 VanDerWaalsContact O-CD2 3.3Å; W228-F330 WeakPolarHBondContact O-CD2 3.31Å; W228-F361 HydrophobicContact CH2-CE1 4.21Å; W228-F361 HydrophobicContact CZ3-CE1 4.06Å; W228-L365 HydrophobicContact CH2-CD1 3.92Å; W228-L365 HydrophobicContact CH2-CD2 4.38Å; W228-L372 HydrophobicContact CD2-CD1 4.12Å; W228-L372 HydrophobicContact CD2-CD2 4.36Å; W228-L372 HydrophobicContact CD2-CG 4.09Å; W228-L372 HydrophobicContact CE3-CD2 4.41Å; W228-L372 HydrophobicContact CG-CD1 4.02Å; W228-L372 HydrophobicContact CG-CG 4.5Å; W228-L372 HydrophobicContact CH2-CD2 4.38Å; W228-L372 HydrophobicContact CH2-CG 4.45Å; W228-L372 HydrophobicContact CZ2-CD2 4.31Å; W228-L372 HydrophobicContact CZ2-CG 3.89Å; W228-L372 HydrophobicContact CZ3-CD2 4.42Å; W228-L372 PolarHBondContact NE1-O 3.32Å
229K89.8Confident78.7Confident92 Ų9254.6 Ų54.640%0.428%0.282SS..THydrogen-bonded Turntrans-90.4-0170.9-59.1-176.2-177-177.50112.1D227 H231 N314 N333 Y336D227-K229 PolarHBondContact O-N 2.83Å; D227-K229 VanDerWaalsContact O-N 3.15Å; D227-K229 VanDerWaalsContact OD1-C 3.25Å; D227-K229 VanDerWaalsContact OD1-CA 3.24Å; D227-K229 WeakPolarHBondContact OD1-CA 3.46Å; D227-K229 VanDerWaalsContact OD1-CB 3.24Å; D227-K229 WeakPolarHBondContact OD1-CB 3.38Å; D227-K229 PolarHBondContact OD1-N 3.29Å; K229-H231 PolarHBondContact O-N 3.06Å; K229-N314 PolarHBondContact O-ND2 2.96Å; K229-N333 WeakPolarHBondContact CD-ND2 3.08Å; K229-N333 WeakPolarHBondContact CE-ND2 3.37Å; K229-Y336 HydrophobicContact CB-CE2 3.69Å; K229-Y336 HydrophobicContact CD-CE2 4.38Å; K229-Y336 HydrophobicContact CG-CE2 3.94Å; K229-Y336 PolarHBondContact O-OH 3.42Å; K229-Y336 VanDerWaalsContact O-OH 3.11Å
230L93.2Very high77.3Confident4 Ų461.2 Ų61.22%0.02130%0.304CS..  trans61.130.3-173.3-50.8177.7000112.5M226 D227 W228 I270 N314 T317 A318 L322 F330M226-L230 HydrophobicContact CE-CD2 4.4Å; M226-L230 HydrophobicContact SD-CD2 3.74Å; D227-L230 PolarHBondContact O-N 3.03Å; D227-L230 PolarHBondContact OD1-N 2.94Å; W228-L230 VanDerWaalsContact C-N 3.32Å; L230-I270 HydrophobicContact CB-CG2 4.2Å; L230-I270 HydrophobicContact CD2-CG2 4.06Å; L230-N314 HydrophobicContact CB-CB 4.25Å; L230-N314 HydrophobicContact CD1-CB 4.3Å; L230-N314 WeakPolarHBondContact CD1-O 3.27Å; L230-N314 PolarHBondContact O-ND2 2.8Å; L230-T317 HydrophobicContact CD1-CG2 3.94Å; L230-A318 HydrophobicContact CD1-CB 4.18Å; L230-L322 HydrophobicContact CD1-CD1 4.25Å; L230-L322 HydrophobicContact CD2-CD1 4.29Å; L230-L322 HydrophobicContact CD2-CD2 4.34Å; L230-F330 HydrophobicContact CB-CE2 4.44Å; L230-F330 HydrophobicContact CD1-CD2 4.11Å; L230-F330 HydrophobicContact CD1-CE2 3.75Å; L230-F330 HydrophobicContact CD1-CZ 4.5Å; L230-F330 HydrophobicContact CG-CD2 3.99Å; L230-F330 HydrophobicContact CG-CE2 3.8Å
231H88.9Confident76.2Confident80 Ų8062.5 Ų62.537%0.3730%0.3SS..  trans-79.4134.9163.4-62135.3000109.6M226 D227 K229M226-H231 CarbonylContact C-O 3.5Å; M226-H231 WeakPolarHBondContact CA-O 3.46Å; D227-H231 PolarHBondContact N-O 3.36Å; D227-H231 VanDerWaalsContact N-O 3.09Å; D227-H231 IonicContact OD1-CG 3.93Å; D227-H231 PolarHBondContact OD1-N 3.09Å; D227-H231 IonicContact OD1-ND1 2.85Å; D227-H231 IonicContact OD2-CG 3.6Å; D227-H231 IonicContact OD2-ND1 3.92Å; D227-H231 PolarHBondContact OD2-ND1 3.27Å; K229-H231 PolarHBondContact O-N 3.06Å
232F89.6Confident75.3Confident87 Ų8763.3 Ų63.338%0.38230%0.302SS..EExtended strand (participates in β ladder)trans-67.4139.1172.9177.8-88.9000110.7G225 W234 N269 I270G225-F232 WeakPolarHBondContact O-CA 3.37Å; F232-W234 AromaticContact CE1-CD2 3.65Å; F232-W234 HydrophobicContact CE1-CD2 3.65Å; F232-W234 AromaticContact CE1-CE2 3.5Å; F232-W234 HydrophobicContact CE1-CE3 4.07Å; F232-W234 HydrophobicContact CE1-CG 4.09Å; F232-W234 HydrophobicContact CE1-CH2 4.24Å; F232-W234 AromaticContact CE1-CZ2 3.82Å; F232-W234 HydrophobicContact CE1-CZ2 3.82Å; F232-W234 HydrophobicContact CE1-CZ3 4.36Å; F232-W234 AromaticContact CE1-NE1 3.82Å; F232-W234 AromaticContact CZ-CD2 3.78Å; F232-W234 HydrophobicContact CZ-CD2 3.78Å; F232-W234 AromaticContact CZ-CE2 3.86Å; F232-W234 AromaticContact CZ-CE3 3.68Å; F232-W234 HydrophobicContact CZ-CE3 3.68Å; F232-W234 AromaticContact CZ-CH2 3.8Å; F232-W234 HydrophobicContact CZ-CH2 3.8Å; F232-W234 AromaticContact CZ-CZ2 3.88Å; F232-W234 HydrophobicContact CZ-CZ2 3.88Å; F232-W234 AromaticContact CZ-CZ3 3.71Å; F232-W234 HydrophobicContact CZ-CZ3 3.71Å; F232-N269 WeakPolarHBondContact CD2-ND2 2.87Å; F232-I270 HydrophobicContact CB-CD1 4.19Å; F232-I270 HydrophobicContact CD2-CD1 4.23Å
233K81.4Confident74.1Confident61 Ų6168.8 Ų68.827%0.26533%0.33SS..EExtended strand (participates in β ladder)trans-136.5158168.564.7-177179.1-169.70110.4G225 M226 D235 Y369 E376G225-K233 WeakPolarHBondContact CA-O 3.44Å; G225-K233 PolarHBondContact N-O 2.89Å; G225-K233 PolarHBondContact O-N 2.81Å; M226-K233 VanDerWaalsContact O-CE 3.31Å; M226-K233 WeakPolarHBondContact O-CE 3.45Å; K233-D235 WeakPolarHBondContact CE-OD1 3.38Å; K233-Y369 WeakPolarHBondContact CE-OH 3.36Å; K233-E376 IonicContact NZ-OE1 3.9Å; K233-E376 PolarHBondContact NZ-OE1 3.07Å
234W79.4Confident72.6Confident106 Ų10672.6 Ų72.640%0.40236%0.359SS..EExtended strand (participates in β ladder)trans-88.7124.2168.9-64.7112.4000109.1I206 C222 F232I206-W234 HydrophobicContact CB-CH2 4.38Å; I206-W234 HydrophobicContact CG1-CH2 4Å; C222-W234 HydrophobicContact CB-CB 4.4Å; C222-W234 HydrophobicContact CB-CE3 4.07Å; F232-W234 AromaticContact CE1-CD2 3.65Å; F232-W234 HydrophobicContact CE1-CD2 3.65Å; F232-W234 AromaticContact CE1-CE2 3.5Å; F232-W234 HydrophobicContact CE1-CE3 4.07Å; F232-W234 HydrophobicContact CE1-CG 4.09Å; F232-W234 HydrophobicContact CE1-CH2 4.24Å; F232-W234 AromaticContact CE1-CZ2 3.82Å; F232-W234 HydrophobicContact CE1-CZ2 3.82Å; F232-W234 HydrophobicContact CE1-CZ3 4.36Å; F232-W234 AromaticContact CE1-NE1 3.82Å; F232-W234 AromaticContact CZ-CD2 3.78Å; F232-W234 HydrophobicContact CZ-CD2 3.78Å; F232-W234 AromaticContact CZ-CE2 3.86Å; F232-W234 AromaticContact CZ-CE3 3.68Å; F232-W234 HydrophobicContact CZ-CE3 3.68Å; F232-W234 AromaticContact CZ-CH2 3.8Å; F232-W234 HydrophobicContact CZ-CH2 3.8Å; F232-W234 AromaticContact CZ-CZ2 3.88Å; F232-W234 HydrophobicContact CZ-CZ2 3.88Å; F232-W234 AromaticContact CZ-CZ3 3.71Å; F232-W234 HydrophobicContact CZ-CZ3 3.71Å
235D72.9Confident70.6Confident31 Ų3175.6 Ų75.617%0.16637%0.372CS..EExtended strand (participates in β ladder)trans-106.4149.3170-69.1-34000110.2C222 I223 K233 Y369C222-D235 CarbonylContact C-O 3.6Å; C222-D235 WeakPolarHBondContact CA-O 3.47Å; C222-D235 WeakPolarHBondContact CB-O 3.37Å; I223-D235 HydrophobicContact CD1-CB 4.46Å; I223-D235 HydrophobicContact CG1-CB 3.9Å; I223-D235 PolarHBondContact N-O 2.95Å; I223-D235 PolarHBondContact O-N 3.29Å; K233-D235 WeakPolarHBondContact CE-OD1 3.38Å; D235-Y369 WeakPolarHBondContact OD2-CE2 3.46Å; D235-Y369 PolarHBondContact OD2-OH 2.81Å
236Y70.4Confident68.3Low153 Ų15381.7 Ų81.760%0.640%0.4SS*.PPolyproline II helixtrans-97.1119.9173.3-64.3-76000109.4P220 C222 E238P220-Y236 HydrophobicContact CB-CE1 4.14Å; P220-Y236 HydrophobicContact CG-CE1 3.66Å; C222-Y236 HydrophobicContact CB-CD1 4.26Å; C222-Y236 HydrophobicContact CB-CE1 4.12Å; Y236-E238 PolarHBondContact O-N 2.88Å
237P62.1Low65.9Low29 Ų2987 Ų8719%0.18842%0.423CS..PPolyproline II helixtrans-63.6133.5-178.624.7-31.9000110.6I223 Y241I223-P237 HydrophobicContact CG2-CB 4.47Å; I223-P237 HydrophobicContact CG2-CG 4.37Å; P237-Y241 HydrophobicContact CB-CD1 3.9Å; P237-Y241 HydrophobicContact CB-CD2 4.24Å; P237-Y241 HydrophobicContact CB-CG 3.64Å
238E60Low63.2Low116 Ų11692.6 Ų92.654%0.54246%0.458SS..PPolyproline II helixtrans-64.4158.2165.1-69.7177.9-140.900110.5Y236 R240 Y241Y236-E238 PolarHBondContact O-N 2.88Å; E238-R240 HydrophobicContact CB-CG 3.84Å; E238-R240 PolarHBondContact O-N 2.84Å; E238-R240 IonicContact OE1-CZ 3.71Å; E238-R240 IonicContact OE1-NE 3.7Å; E238-R240 IonicContact OE1-NH2 2.88Å; E238-R240 PolarHBondContact OE1-NH2 2.85Å; E238-R240 IonicContact OE2-CZ 3.39Å; E238-R240 IonicContact OE2-NE 2.71Å; E238-R240 PolarHBondContact OE2-NE 3.13Å; E238-R240 IonicContact OE2-NH2 3.34Å; E238-R240 PolarHBondContact OE2-NH2 3.43Å; E238-Y241 VanDerWaalsContact O-CB 3.27Å; E238-Y241 WeakPolarHBondContact O-CB 3.46Å; E238-Y241 PolarHBondContact O-N 2.93Å
239A53.6Low60.9Low81 Ų8192.3 Ų92.367%0.66946%0.461SS*.G310 helixtrans-54-26.5179.800000113.9Y241 F242A239-Y241 VanDerWaalsContact C-N 3.32Å; A239-Y241 PolarHBondContact O-N 2.8Å; A239-F242 WeakPolarHBondContact O-CD2 3.36Å
240R50.5Low58.7Low162 Ų16291.9 Ų91.961%0.61146%0.46SS*.G310 helixtrans-68.2-22.1176.259.7171168.9154.61.6114.8E238 F242 N243E238-R240 HydrophobicContact CB-CG 3.84Å; E238-R240 PolarHBondContact O-N 2.84Å; E238-R240 IonicContact OE1-CZ 3.71Å; E238-R240 IonicContact OE1-NE 3.7Å; E238-R240 IonicContact OE1-NH2 2.88Å; E238-R240 PolarHBondContact OE1-NH2 2.85Å; E238-R240 IonicContact OE2-CZ 3.39Å; E238-R240 IonicContact OE2-NE 2.71Å; E238-R240 PolarHBondContact OE2-NE 3.13Å; E238-R240 IonicContact OE2-NH2 3.34Å; E238-R240 PolarHBondContact OE2-NH2 3.43Å; R240-F242 PolarHBondContact O-N 3.06Å; R240-F242 VanDerWaalsContact O-N 3.16Å; R240-N243 PolarHBondContact O-N 3.14Å
241Y50.1Low56.6Low102 Ų10295.5 Ų95.540%0.448%0.484SS..G310 helixtrans-56.8-32.3-179.6178.8-95.7000111.8I223 P237 E238 A239 N243I223-Y241 HydrophobicContact CD1-CD2 4.32Å; I223-Y241 HydrophobicContact CD1-CE2 4.12Å; I223-Y241 HydrophobicContact CG2-CE1 4.24Å; I223-Y241 HydrophobicContact CG2-CE2 4.19Å; P237-Y241 HydrophobicContact CB-CD1 3.9Å; P237-Y241 HydrophobicContact CB-CD2 4.24Å; P237-Y241 HydrophobicContact CB-CG 3.64Å; E238-Y241 VanDerWaalsContact O-CB 3.27Å; E238-Y241 WeakPolarHBondContact O-CB 3.46Å; E238-Y241 PolarHBondContact O-N 2.93Å; A239-Y241 VanDerWaalsContact C-N 3.32Å; A239-Y241 PolarHBondContact O-N 2.8Å; Y241-N243 VanDerWaalsContact C-N 3.27Å; Y241-N243 PolarHBondContact O-N 2.81Å
242F52.2Low55.4Low73 Ų7394.1 Ų94.132%0.3248%0.479SS..G310 helixtrans-67.5-25.6178.6-59.9-73.9000111.7L58 A239 R240 S244L58-F242 WeakPolarHBondContact CD1-O 3.45Å; L58-F242 VanDerWaalsContact CD2-C 3.4Å; L58-F242 HydrophobicContact CD2-CB 3.96Å; L58-F242 WeakPolarHBondContact CD2-O 3.27Å; L58-F242 HydrophobicContact CG-CB 4.39Å; L58-F242 WeakPolarHBondContact CG-O 3.38Å; A239-F242 WeakPolarHBondContact O-CD2 3.36Å; R240-F242 PolarHBondContact O-N 3.06Å; R240-F242 VanDerWaalsContact O-N 3.16Å; F242-S244 PolarHBondContact O-N 3.44Å
243N44.9Very low54Low127 Ų12794.6 Ų94.668%0.67949%0.493SS*.G310 helixtrans-85.711.6-167.2-72.1-6.3000117L58 R240 Y241L58-N243 WeakPolarHBondContact CD2-OD1 3.47Å; R240-N243 PolarHBondContact O-N 3.14Å; Y241-N243 VanDerWaalsContact C-N 3.27Å; Y241-N243 PolarHBondContact O-N 2.81Å
244S44.3Very low53.5Low99 Ų9997.2 Ų97.269%0.69251%0.506SS*.PPolyproline II helixtrans-77.8133.2-174.8700000113.7F242F242-S244 PolarHBondContact O-N 3.44Å
245S40.8Very low53.8Low105 Ų10592.5 Ų92.573%0.73449%0.489SS*.PPolyproline II helixtrans-78.4152.517647.30000113.9
246E38.6Very low54.5Low134 Ų13492.4 Ų92.463%0.62650%0.495SS*.PPolyproline II helixtrans-63135.1179.3-74160.4-161.200112K60K60-E246 IonicContact NZ-OE1 3.38Å; K60-E246 PolarHBondContact NZ-OE1 2.85Å; K60-E246 IonicContact NZ-OE2 3.68Å
247K39.8Very low55.5Low118 Ų11888.1 Ų88.151%0.51348%0.482SS..  trans-115.8152.4171.5-66.4-177.9-177.8175.30109.5V249K247-V249 VanDerWaalsContact O-CG2 3.32Å; K247-V249 WeakPolarHBondContact O-CG2 3.32Å
248T34.6Very low57Low141 Ų14188 Ų8887%0.86548%0.479SS*.  trans-63.9135.5176.1-45.30000111.3
249V42.6Very low58.7Low38 Ų3882.9 Ų82.923%0.2345%0.454CS..  trans-130.4154.5-172.6-179.20000111.4E199 K247 G280 Y281E199-V249 HydrophobicContact CB-CB 4.3Å; E199-V249 HydrophobicContact CB-CG1 3.58Å; E199-V249 HydrophobicContact CG-CB 3.42Å; E199-V249 VanDerWaalsContact CG-CB 3.42Å; E199-V249 HydrophobicContact CG-CG1 3.16Å; E199-V249 HydrophobicContact CG-CG2 4.17Å; K247-V249 VanDerWaalsContact O-CG2 3.32Å; K247-V249 WeakPolarHBondContact O-CG2 3.32Å; V249-G280 WeakPolarHBondContact CA-O 3.4Å; V249-G280 WeakPolarHBondContact CG1-O 3.44Å; V249-G280 WeakPolarHBondContact CG2-O 3.47Å; V249-Y281 HydrophobicContact CG1-CD1 3.83Å; V249-Y281 HydrophobicContact CG1-CG 4.25Å
250Q42.5Very low60.5Low82 Ų8281.9 Ų81.938%0.38344%0.438SS..  trans-93.8163.6178.6-61.2-175.2700112.6E199 Y281E199-Q250 VanDerWaalsContact CB-O 3.27Å; E199-Q250 WeakPolarHBondContact CB-O 3.45Å; Q250-Y281 HydrophobicContact CB-CE1 4.1Å; Q250-Y281 HydrophobicContact CB-CE2 4.39Å; Q250-Y281 WeakPolarHBondContact O-CD1 3.2Å; Q250-Y281 WeakPolarHBondContact O-CE1 3.33Å
251P50.4Low62.6Low81 Ų8175.3 Ų75.353%0.52642%0.421SS..  trans-69.5137.5176.5-20.533.3000114.3S253 Y281P251-S253 VanDerWaalsContact C-N 3.33Å; P251-S253 PolarHBondContact O-N 3.23Å; P251-Y281 VanDerWaalsContact C-CE1 3.47Å; P251-Y281 WeakPolarHBondContact O-CE1 3.23Å; P251-Y281 PolarHBondContact O-OH 3.49Å
252L62.3Low64.7Low50 Ų5070.5 Ų70.526%0.26240%0.402SS..G310 helixtrans-66.3-25.7-173.5-87.9176.9000115P198 T200 I201 H254 L255 Y281P198-L252 VanDerWaalsContact O-CD1 3.32Å; P198-L252 WeakPolarHBondContact O-CD1 3.41Å; T200-L252 WeakPolarHBondContact O-CD1 3.41Å; I201-L252 HydrophobicContact CG1-CD1 4.38Å; I201-L252 HydrophobicContact CG1-CD2 4.16Å; L252-H254 PolarHBondContact O-N 3.36Å; L252-L255 HydrophobicContact CD2-CD2 3.72Å; L252-L255 VanDerWaalsContact O-CB 3.25Å; L252-L255 WeakPolarHBondContact O-CB 3.44Å; L252-L255 PolarHBondContact O-N 3.12Å; L252-Y281 HydrophobicContact CD2-CD1 3.58Å; L252-Y281 HydrophobicContact CD2-CE1 3.87Å; L252-Y281 HydrophobicContact CD2-CG 4.23Å; L252-Y281 HydrophobicContact CG-CD1 4.1Å; L252-Y281 HydrophobicContact CG-CE1 4.2Å
253S60.3Low66.5Low98 Ų9868.1 Ų68.169%0.68539%0.392SS*.G310 helixtrans-58.2-20.4-174.455.50000114P251P251-S253 VanDerWaalsContact C-N 3.33Å; P251-S253 PolarHBondContact O-N 3.23Å
254H71.7Confident68.5Low116 Ų11663.1 Ų63.154%0.53737%0.365SS..G310 helixtrans-93.6-12.9-179.4-58.5-58.3000114.1L252 G256 L356L252-H254 PolarHBondContact O-N 3.36Å; H254-G256 PolarHBondContact O-N 2.83Å; H254-G256 VanDerWaalsContact O-N 3.11Å; H254-L356 HydrophobicContact CB-CD2 4.13Å; H254-L356 WeakPolarHBondContact O-CD2 3.32Å
255L84.9Confident70.6Confident7 Ų763.8 Ų63.84%0.03735%0.352CS..SBendtrans-62.2-25.4-171.4-172.960.8000112.9I201 L252 M272 R275 V276 C279 Y281 L356I201-L255 HydrophobicContact CD1-CD2 4.42Å; L252-L255 HydrophobicContact CD2-CD2 3.72Å; L252-L255 VanDerWaalsContact O-CB 3.25Å; L252-L255 WeakPolarHBondContact O-CB 3.44Å; L252-L255 PolarHBondContact O-N 3.12Å; L255-M272 HydrophobicContact CD2-SD 4.32Å; L255-R275 HydrophobicContact CD1-CG 3.72Å; L255-R275 HydrophobicContact CG-CG 4.49Å; L255-R275 PolarHBondContact O-NH1 3.44Å; L255-V276 HydrophobicContact CD2-CG2 3.62Å; L255-C279 HydrophobicContact CD1-CB 4.24Å; L255-Y281 HydrophobicContact CB-CE2 4.46Å; L255-Y281 HydrophobicContact CD1-CD2 3.75Å; L255-Y281 HydrophobicContact CD1-CE2 3.59Å; L255-Y281 HydrophobicContact CG-CE2 4.45Å; L255-L356 HydrophobicContact CD1-CD1 4.15Å
256G87.5Confident72.9Confident28 Ų2858.9 Ų58.929%0.28932%0.318SS..  trans81.3162.4-179.700000113.6H254 R275H254-G256 PolarHBondContact O-N 2.83Å; H254-G256 VanDerWaalsContact O-N 3.11Å; G256-R275 PolarHBondContact O-NH1 2.88Å
257D91.1Very high75.4Confident63 Ų6352.7 Ų52.734%0.33729%0.291SS..  trans-83.9167.2-176.425.9-52000111.8Y166 R349Y166-D257 PolarHBondContact OH-OD2 2.51Å; D257-R349 PolarHBondContact O-NH1 3.23Å
258Y93.7Very high78Confident28 Ų2847.4 Ų47.411%0.1127%0.268CS..  trans-53.9153.8179.2-70.9-70.3000111.2I158 R161 N162 N260 E268 M272 R349I158-Y258 HydrophobicContact CG2-CG 4.18Å; R161-Y258 HydrophobicContact CB-CD2 4.19Å; R161-Y258 HydrophobicContact CB-CE2 4.1Å; N162-Y258 PolarHBondContact ND2-O 2.93Å; N162-Y258 WeakPolarHBondContact OD1-CB 3.29Å; N162-Y258 PolarHBondContact OD1-N 3.07Å; N162-Y258 VanDerWaalsContact OD1-N 3.16Å; Y258-N260 PolarHBondContact O-N 2.57Å; Y258-E268 HydrophobicContact CD1-CB 3.83Å; Y258-E268 HydrophobicContact CD1-CG 4.08Å; Y258-E268 HydrophobicContact CE1-CB 4.08Å; Y258-E268 HydrophobicContact CE1-CG 3.89Å; Y258-M272 HydrophobicContact CD1-CE 3.78Å; Y258-M272 HydrophobicContact CE1-CB 4.08Å; Y258-M272 HydrophobicContact CE1-CE 3.63Å; Y258-M272 HydrophobicContact CE1-CG 4.43Å; Y258-M272 HydrophobicContact CE2-CE 4.46Å; Y258-M272 HydrophobicContact CG-CE 4.28Å; Y258-R349 PolarHBondContact O-NH2 3.39Å
259D95.4Very high80.7Confident7 Ų743.2 Ų43.24%0.03724%0.24CC..  trans-65.599.4178.5-173.615.2000112.2G261 M262 R316 R349D259-G261 PolarHBondContact O-N 2.85Å; D259-G261 PolarHBondContact OD1-N 3.49Å; D259-G261 VanDerWaalsContact OD1-N 3.07Å; D259-M262 HydrophobicContact CB-CE 4.28Å; D259-M262 HydrophobicContact CB-CG 3.9Å; D259-M262 HydrophobicContact CB-SD 4.07Å; D259-M262 VanDerWaalsContact O-CB 3.29Å; D259-M262 WeakPolarHBondContact O-CB 3.19Å; D259-M262 PolarHBondContact O-N 2.89Å; D259-R316 VanDerWaalsContact CG-NH2 3.33Å; D259-R316 IonicContact OD1-NH2 2.66Å; D259-R316 PolarHBondContact OD1-NH2 3.41Å; D259-R316 VanDerWaalsContact OD1-NH2 3.15Å; D259-R316 IonicContact OD2-CZ 2.76Å; D259-R316 IonicContact OD2-NE 3.6Å; D259-R316 PolarHBondContact OD2-NE 3.22Å; D259-R316 IonicContact OD2-NH2 3.51Å; D259-R316 PolarHBondContact OD2-NH2 3.28Å; D259-R349 VanDerWaalsContact CA-CZ 3.49Å; D259-R349 HydrophobicContact CB-CG 4.34Å; D259-R349 IonicContact OD1-CZ 3.65Å; D259-R349 IonicContact OD1-NE 3.66Å; D259-R349 PolarHBondContact OD1-NE 3.09Å; D259-R349 IonicContact OD1-NH2 3.67Å
260N93.3Very high83.3Confident61 Ų6141.7 Ų41.733%0.32623%0.231SC..THydrogen-bonded Turntrans-54.7-19175.3-76.7-56.6000113.9R159 N162 Y258 M262R159-N260 PolarHBondContact NH1-O 3.38Å; N162-N260 PolarHBondContact ND2-ND2 2.98Å; N162-N260 PolarHBondContact ND2-OD1 3.29Å; Y258-N260 PolarHBondContact O-N 2.57Å; N260-M262 VanDerWaalsContact C-N 3.33Å
261G93.7Very high85.8Confident24 Ų2438 Ų3825%0.24721%0.213CC..THydrogen-bonded Turntrans-79-9.7173.200000114.8D259 R312D259-G261 PolarHBondContact O-N 2.85Å; D259-G261 PolarHBondContact OD1-N 3.49Å; D259-G261 VanDerWaalsContact OD1-N 3.07Å; G261-R312 PolarHBondContact O-NH1 3.23Å; G261-R312 PolarHBondContact O-NH2 3.41Å; G261-R312 VanDerWaalsContact O-NH2 3.11Å
262M94.1Very high88Confident1 Ų135.4 Ų35.41%0.00519%0.194CC..SBendtrans-76.8151171.1-69.8178.1171.400111.3I158 R159 D259 N260 E268 E271 N313 T317I158-M262 HydrophobicContact CD1-CB 3.39Å; I158-M262 HydrophobicContact CD1-CG 4.32Å; I158-M262 HydrophobicContact CD1-SD 4.06Å; I158-M262 HydrophobicContact CG2-CB 4.34Å; R159-M262 PolarHBondContact NH1-O 2.81Å; D259-M262 HydrophobicContact CB-CE 4.28Å; D259-M262 HydrophobicContact CB-CG 3.9Å; D259-M262 HydrophobicContact CB-SD 4.07Å; D259-M262 VanDerWaalsContact O-CB 3.29Å; D259-M262 WeakPolarHBondContact O-CB 3.19Å; D259-M262 PolarHBondContact O-N 2.89Å; N260-M262 VanDerWaalsContact C-N 3.33Å; M262-E268 HydrophobicContact SD-CB 3.86Å; M262-E271 HydrophobicContact CE-CB 3.71Å; M262-E271 HydrophobicContact CE-CG 3.86Å; M262-N313 VanDerWaalsContact CA-OD1 3.23Å; M262-N313 WeakPolarHBondContact CA-OD1 3.4Å; M262-N313 HydrophobicContact CB-CB 4.36Å; M262-N313 WeakPolarHBondContact CB-OD1 3.47Å; M262-N313 HydrophobicContact CE-CB 4.49Å; M262-N313 HydrophobicContact CG-CB 4.01Å; M262-N313 HydrophobicContact SD-CB 4.31Å; M262-T317 WeakPolarHBondContact CE-OG1 3.49Å
263E90.5Very high89.5Confident23 Ų2335 Ų3511%0.10720%0.196CC..  trans-113.6132.5-172.1-71.9166-170.900111.2W265 F305 Y307 T309 R312 N313E263-W265 VanDerWaalsContact C-N 3.3Å; E263-W265 PolarHBondContact O-N 3.13Å; E263-F305 HydrophobicContact CB-CE2 3.97Å; E263-F305 HydrophobicContact CB-CZ 4.41Å; E263-F305 HydrophobicContact CG-CE2 4.17Å; E263-F305 HydrophobicContact CG-CZ 4.09Å; E263-Y307 VanDerWaalsContact CD-OH 3.25Å; E263-Y307 PolarHBondContact OE1-OH 3.14Å; E263-Y307 VanDerWaalsContact OE2-CE2 3.23Å; E263-Y307 WeakPolarHBondContact OE2-CE2 3.43Å; E263-Y307 VanDerWaalsContact OE2-CZ 3.29Å; E263-Y307 PolarHBondContact OE2-OH 2.92Å; E263-T309 HydrophobicContact CB-CG2 3.94Å; E263-T309 WeakPolarHBondContact O-CB 3.26Å; E263-R312 IonicContact OE1-CZ 3.28Å; E263-R312 IonicContact OE1-NE 3.86Å; E263-R312 PolarHBondContact OE1-NE 3.28Å; E263-R312 IonicContact OE1-NH1 3.01Å; E263-R312 IonicContact OE1-NH2 2.75Å; E263-R312 PolarHBondContact OE1-NH2 3.4Å; E263-R312 WeakPolarHBondContact OE2-CD 3Å; E263-R312 IonicContact OE2-NE 3.74Å; E263-N313 PolarHBondContact N-ND2 2.97Å; E263-N313 PolarHBondContact N-OD1 2.69Å; E263-N313 PolarHBondContact O-ND2 2.87Å
264L87.2Confident91.2Very high21 Ų2130.3 Ų30.311%0.1116%0.163CC..BIsolated β-bridgetrans54.3-79.4175.6-59.4174.8000115.2R154 G156 L157 S303 P304 F305 T309R154-L264 HydrophobicContact CG-CD2 4.32Å; G156-L264 CarbonylContact C-O 3.55Å; L157-L264 WeakPolarHBondContact CB-O 3.44Å; L157-L264 PolarHBondContact N-O 3.37Å; L264-S303 WeakPolarHBondContact CD1-OG 3.28Å; L264-P304 HydrophobicContact CD1-CG 4.29Å; L264-F305 HydrophobicContact CD1-CD2 3.81Å; L264-F305 HydrophobicContact CD1-CE2 3.97Å; L264-F305 HydrophobicContact CG-CD2 4.26Å; L264-F305 HydrophobicContact CG-CE2 3.93Å; L264-T309 HydrophobicContact CB-CG2 4.26Å; L264-T309 HydrophobicContact CD1-CG2 3.78Å; L264-T309 HydrophobicContact CG-CG2 4.2Å
265W88.5Confident92.3Very high113 Ų11324.8 Ų24.843%0.42814%0.138SC..SBendtrans-158.9146.5-168.6-176.193.7000110.5L157 E263 R299 T309 N313L157-W265 VanDerWaalsContact CD2-CD1 3.4Å; E263-W265 VanDerWaalsContact C-N 3.3Å; E263-W265 PolarHBondContact O-N 3.13Å; W265-R299 VanDerWaalsContact CE3-NH1 3.26Å; W265-T309 PolarHBondContact O-OG1 3.49Å; W265-N313 PolarHBondContact O-ND2 3.02Å
266G88.2Confident92.7Very high2 Ų224.5 Ų24.52%0.02114%0.136CC..SBendtrans108.1139168.900000111.6E268 N313G266-E268 VanDerWaalsContact CA-OE2 3.27Å; G266-E268 WeakPolarHBondContact CA-OE2 3.24Å; G266-E268 PolarHBondContact N-OE2 3.29Å; G266-E268 PolarHBondContact O-N 3.36Å; G266-N313 WeakPolarHBondContact O-CB 3.45Å; G266-N313 PolarHBondContact O-ND2 3.49Å
267G90.8Very high93Very high5 Ų526 Ų265%0.05213%0.133CC..SBendtrans80.4-15.817600000115N269 I270 E271 N314G267-N269 PolarHBondContact O-N 3.07Å; G267-I270 PolarHBondContact O-N 2.88Å; G267-E271 WeakPolarHBondContact O-CB 3.27Å; G267-E271 PolarHBondContact O-N 2.71Å; G267-N314 VanDerWaalsContact CA-OD1 3.28Å; G267-N314 WeakPolarHBondContact CA-OD1 3.45Å
268E94.2Very high93.1Very high6 Ų623 Ų233%0.02812%0.117CC..Hα-helixtrans-68.4-35.2-178.578.6-72.3173.900112.8I158 Y258 M262 G266 M272I158-E268 HydrophobicContact CD1-CB 3.84Å; I158-E268 HydrophobicContact CD1-CG 4.31Å; I158-E268 HydrophobicContact CG1-CB 3.86Å; I158-E268 HydrophobicContact CG1-CG 3.88Å; I158-E268 HydrophobicContact CG2-CB 4.26Å; Y258-E268 HydrophobicContact CD1-CB 3.83Å; Y258-E268 HydrophobicContact CD1-CG 4.08Å; Y258-E268 HydrophobicContact CE1-CB 4.08Å; Y258-E268 HydrophobicContact CE1-CG 3.89Å; M262-E268 HydrophobicContact SD-CB 3.86Å; G266-E268 VanDerWaalsContact CA-OE2 3.27Å; G266-E268 WeakPolarHBondContact CA-OE2 3.24Å; G266-E268 PolarHBondContact N-OE2 3.29Å; G266-E268 PolarHBondContact O-N 3.36Å; E268-M272 VanDerWaalsContact O-CB 3.24Å; E268-M272 WeakPolarHBondContact O-CB 3.25Å; E268-M272 PolarHBondContact O-N 3.06Å
269N92.6Very high93.2Very high53 Ų5321.9 Ų21.928%0.28311%0.113SC..Hα-helixtrans-68.8-39.9176.361.9-34.7000111.1F232 G267 S273F232-N269 WeakPolarHBondContact CD2-ND2 2.87Å; G267-N269 PolarHBondContact O-N 3.07Å; N269-S273 VanDerWaalsContact O-CB 3.32Å; N269-S273 WeakPolarHBondContact O-CB 3.48Å; N269-S273 PolarHBondContact O-N 3.27Å; N269-S273 PolarHBondContact O-OG 3.13Å
270I95.6Very high92.9Very high7 Ų722.4 Ų22.44%0.03612%0.12CC..Hα-helixtrans-68.1-47.4176.3-58.7-53.8000110.8M226 L230 F232 G267 M272 S273 I274 T317M226-I270 HydrophobicContact CB-CD1 4Å; M226-I270 HydrophobicContact SD-CG2 3.52Å; M226-I270 VanDerWaalsContact SD-CG2 3.52Å; L230-I270 HydrophobicContact CB-CG2 4.2Å; L230-I270 HydrophobicContact CD2-CG2 4.06Å; F232-I270 HydrophobicContact CB-CD1 4.19Å; F232-I270 HydrophobicContact CD2-CD1 4.23Å; G267-I270 PolarHBondContact O-N 2.88Å; I270-M272 PolarHBondContact O-N 2.79Å; I270-S273 PolarHBondContact O-N 2.74Å; I270-S273 VanDerWaalsContact O-N 3.17Å; I270-I274 HydrophobicContact CG2-CD1 3.86Å; I270-I274 HydrophobicContact CG2-CG1 4.43Å; I270-I274 WeakPolarHBondContact O-CG1 3.26Å; I270-I274 PolarHBondContact O-N 2.88Å; I270-T317 HydrophobicContact CG2-CG2 4.43Å
271E96.7Very high92.7Very high3 Ų319.7 Ų19.71%0.01411%0.105CC..Hα-helixtrans-56.7-50176.1-168.9-77.1155.400111.6M262 G267 S273 I274 R275 T317 W321M262-E271 HydrophobicContact CE-CB 3.71Å; M262-E271 HydrophobicContact CE-CG 3.86Å; G267-E271 WeakPolarHBondContact O-CB 3.27Å; G267-E271 PolarHBondContact O-N 2.71Å; E271-S273 VanDerWaalsContact C-N 3.29Å; E271-S273 PolarHBondContact O-N 3.38Å; E271-I274 PolarHBondContact O-N 3.19Å; E271-R275 VanDerWaalsContact O-CB 3.26Å; E271-R275 WeakPolarHBondContact O-CB 3.48Å; E271-R275 PolarHBondContact O-N 2.8Å; E271-R275 IonicContact OE1-NE 3.38Å; E271-R275 PolarHBondContact OE1-NE 2.74Å; E271-R275 IonicContact OE2-CZ 3.86Å; E271-R275 IonicContact OE2-NE 3.14Å; E271-R275 PolarHBondContact OE2-NE 3.33Å; E271-R275 IonicContact OE2-NH2 2.66Å; E271-R275 PolarHBondContact OE2-NH2 3.25Å; E271-T317 HydrophobicContact CB-CG2 3.92Å; E271-T317 HydrophobicContact CG-CG2 4.27Å; E271-W321 WeakPolarHBondContact OE1-CZ2 3.41Å; E271-W321 PolarHBondContact OE1-NE1 3.44Å
272M94.8Very high92.4Very high27 Ų2720.2 Ų20.213%0.13310%0.1CC..Hα-helixtrans-58.9-44.4177.4-178.468.37900110.3I201 L255 Y258 E268 I270 R275 V276I201-M272 HydrophobicContact CD1-CG 4.46Å; I201-M272 HydrophobicContact CD1-SD 4.38Å; L255-M272 HydrophobicContact CD2-SD 4.32Å; Y258-M272 HydrophobicContact CD1-CE 3.78Å; Y258-M272 HydrophobicContact CE1-CB 4.08Å; Y258-M272 HydrophobicContact CE1-CE 3.63Å; Y258-M272 HydrophobicContact CE1-CG 4.43Å; Y258-M272 HydrophobicContact CE2-CE 4.46Å; Y258-M272 HydrophobicContact CG-CE 4.28Å; E268-M272 VanDerWaalsContact O-CB 3.24Å; E268-M272 WeakPolarHBondContact O-CB 3.25Å; E268-M272 PolarHBondContact O-N 3.06Å; I270-M272 PolarHBondContact O-N 2.79Å; M272-R275 VanDerWaalsContact CE-NH2 3.29Å; M272-R275 PolarHBondContact O-N 2.86Å; M272-R275 PolarHBondContact SD-NH2 3.3Å; M272-V276 HydrophobicContact CG-CG2 4.02Å; M272-V276 WeakPolarHBondContact O-CB 3.24Å; M272-V276 WeakPolarHBondContact O-CG2 3.23Å; M272-V276 PolarHBondContact O-N 3.19Å; M272-V276 HydrophobicContact SD-CG2 3.97Å
273S94.1Very high92.2Very high41 Ų4121.9 Ų21.929%0.28711%0.108SC..Hα-helixtrans-62.5-49.1-178.9-60.50000112.4N269 I270 E271 R275 V276 W277N269-S273 VanDerWaalsContact O-CB 3.32Å; N269-S273 WeakPolarHBondContact O-CB 3.48Å; N269-S273 PolarHBondContact O-N 3.27Å; N269-S273 PolarHBondContact O-OG 3.13Å; I270-S273 PolarHBondContact O-N 2.74Å; I270-S273 VanDerWaalsContact O-N 3.17Å; E271-S273 VanDerWaalsContact C-N 3.29Å; E271-S273 PolarHBondContact O-N 3.38Å; S273-R275 VanDerWaalsContact C-N 3.3Å; S273-R275 PolarHBondContact O-N 3.49Å; S273-V276 PolarHBondContact O-N 3.44Å; S273-W277 PolarHBondContact O-N 2.76Å; S273-W277 VanDerWaalsContact O-N 3.15Å
274I96Very high92.1Very high1 Ų122.7 Ų22.71%0.00511%0.112CC..Hα-helixtrans-61.2-43.9177.5-62.6167.4000109.9M226 I270 E271 T278 T317 W321 L322 F361M226-I274 HydrophobicContact CE-CD1 4.06Å; M226-I274 HydrophobicContact CE-CG1 4.23Å; M226-I274 HydrophobicContact SD-CD1 4.22Å; I270-I274 HydrophobicContact CG2-CD1 3.86Å; I270-I274 HydrophobicContact CG2-CG1 4.43Å; I270-I274 WeakPolarHBondContact O-CG1 3.26Å; I270-I274 PolarHBondContact O-N 2.88Å; E271-I274 PolarHBondContact O-N 3.19Å; I274-T278 HydrophobicContact CG2-CG2 4Å; I274-T278 VanDerWaalsContact O-CB 3.32Å; I274-T278 WeakPolarHBondContact O-CB 3.33Å; I274-T278 VanDerWaalsContact O-CG2 3.27Å; I274-T278 WeakPolarHBondContact O-CG2 3.33Å; I274-T278 PolarHBondContact O-N 3.44Å; I274-T278 PolarHBondContact O-OG1 3.3Å; I274-T317 HydrophobicContact CD1-CG2 4.16Å; I274-W321 HydrophobicContact CG2-CB 3.88Å; I274-W321 HydrophobicContact CG2-CD2 4.18Å; I274-W321 HydrophobicContact CG2-CE3 3.99Å; I274-W321 HydrophobicContact CG2-CG 4.15Å; I274-L322 HydrophobicContact CD1-CD2 4.48Å; I274-F361 HydrophobicContact CD1-CE2 3.97Å; I274-F361 HydrophobicContact CG1-CE2 4.16Å; I274-F361 HydrophobicContact CG2-CD2 3.98Å; I274-F361 HydrophobicContact CG2-CE2 4.07Å
275R95.3Very high91.9Very high0 Ų023.5 Ų23.50%012%0.118CC..Hα-helixtrans-60.9-53178.5175160.443.790.411.7112L255 G256 E271 M272 S273 W277 T278 C279 W321L255-R275 HydrophobicContact CD1-CG 3.72Å; L255-R275 HydrophobicContact CG-CG 4.49Å; L255-R275 PolarHBondContact O-NH1 3.44Å; G256-R275 PolarHBondContact O-NH1 2.88Å; E271-R275 VanDerWaalsContact O-CB 3.26Å; E271-R275 WeakPolarHBondContact O-CB 3.48Å; E271-R275 PolarHBondContact O-N 2.8Å; E271-R275 IonicContact OE1-NE 3.38Å; E271-R275 PolarHBondContact OE1-NE 2.74Å; E271-R275 IonicContact OE2-CZ 3.86Å; E271-R275 IonicContact OE2-NE 3.14Å; E271-R275 PolarHBondContact OE2-NE 3.33Å; E271-R275 IonicContact OE2-NH2 2.66Å; E271-R275 PolarHBondContact OE2-NH2 3.25Å; M272-R275 VanDerWaalsContact CE-NH2 3.29Å; M272-R275 PolarHBondContact O-N 2.86Å; M272-R275 PolarHBondContact SD-NH2 3.3Å; S273-R275 VanDerWaalsContact C-N 3.3Å; S273-R275 PolarHBondContact O-N 3.49Å; R275-W277 VanDerWaalsContact C-N 3.33Å; R275-W277 PolarHBondContact O-N 2.82Å; R275-T278 PolarHBondContact O-N 3.3Å; R275-T278 PolarHBondContact O-OG1 2.89Å; R275-C279 WeakPolarHBondContact O-CB 3.49Å; R275-C279 PolarHBondContact O-N 3.43Å; R275-C279 PolarHBondContact O-SG 3.04Å; R275-W321 HydrophobicContact CB-CH2 3.55Å; R275-W321 HydrophobicContact CB-CZ2 3.53Å; R275-W321 HydrophobicContact CB-CZ3 4.16Å; R275-W321 HydrophobicContact CG-CH2 3.52Å; R275-W321 HydrophobicContact CG-CZ2 3.72Å; R275-W321 HydrophobicContact CG-CZ3 4.43Å
276V93Very high91.9Very high0 Ų019.3 Ų19.30%010%0.104CC..Hα-helixtrans-51.8-53.9179.71720000109.9I201 L255 M272 S273 G280 Y281 I283I201-V276 HydrophobicContact CD1-CG1 4.37Å; I201-V276 HydrophobicContact CD1-CG2 3.43Å; I201-V276 VanDerWaalsContact CD1-CG2 3.43Å; I201-V276 HydrophobicContact CG1-CG2 4.39Å; L255-V276 HydrophobicContact CD2-CG2 3.62Å; M272-V276 HydrophobicContact CG-CG2 4.02Å; M272-V276 WeakPolarHBondContact O-CB 3.24Å; M272-V276 WeakPolarHBondContact O-CG2 3.23Å; M272-V276 PolarHBondContact O-N 3.19Å; M272-V276 HydrophobicContact SD-CG2 3.97Å; S273-V276 PolarHBondContact O-N 3.44Å; V276-G280 PolarHBondContact O-N 3.3Å; V276-Y281 CarbonylContact O-C 3.59Å; V276-Y281 WeakPolarHBondContact O-CA 3.35Å; V276-Y281 VanDerWaalsContact O-CB 3.27Å; V276-Y281 WeakPolarHBondContact O-CB 3.19Å; V276-Y281 PolarHBondContact O-N 3.06Å; V276-I283 HydrophobicContact CB-CD1 4.16Å; V276-I283 HydrophobicContact CB-CG1 4.2Å; V276-I283 HydrophobicContact CG1-CD1 4.08Å; V276-I283 HydrophobicContact CG1-CG1 3.56Å; V276-I283 HydrophobicContact CG2-CD1 4.47Å
277W93.6Very high91.8Very high60 Ų6020.6 Ų20.623%0.22711%0.112CC..Hα-helixtrans-66.3-49-177.8-76.7115.6000113.4S273 R275 C279 G280 R282 I283 W363 F364 I368S273-W277 PolarHBondContact O-N 2.76Å; S273-W277 VanDerWaalsContact O-N 3.15Å; R275-W277 VanDerWaalsContact C-N 3.33Å; R275-W277 PolarHBondContact O-N 2.82Å; W277-C279 VanDerWaalsContact C-N 3.28Å; W277-C279 PolarHBondContact O-N 2.89Å; W277-G280 PolarHBondContact O-N 3.03Å; W277-G280 VanDerWaalsContact O-N 3.16Å; W277-R282 HydrophobicContact CE3-CB 4.3Å; W277-R282 HydrophobicContact CH2-CB 3.74Å; W277-R282 HydrophobicContact CZ2-CB 4.47Å; W277-R282 HydrophobicContact CZ3-CB 3.63Å; W277-I283 HydrophobicContact CZ2-CB 4.29Å; W277-W363 WeakPolarHBondContact O-CZ3 3.31Å; W277-F364 HydrophobicContact CB-CD2 3.63Å; W277-F364 HydrophobicContact CB-CE2 3.71Å; W277-F364 AromaticContact CD1-CE2 3.7Å; W277-F364 HydrophobicContact CG-CD2 4.25Å; W277-F364 AromaticContact CG-CE2 3.86Å; W277-F364 HydrophobicContact CG-CE2 3.86Å; W277-I368 HydrophobicContact CB-CG1 4.26Å; W277-I368 HydrophobicContact CB-CG2 4.38Å; W277-I368 HydrophobicContact CD2-CD1 4.03Å; W277-I368 HydrophobicContact CD2-CG1 4.15Å; W277-I368 HydrophobicContact CD2-CG2 3.61Å; W277-I368 HydrophobicContact CE3-CD1 3.39Å; W277-I368 HydrophobicContact CE3-CG1 3.96Å; W277-I368 HydrophobicContact CE3-CG2 4.12Å; W277-I368 HydrophobicContact CG-CG1 4.33Å; W277-I368 HydrophobicContact CG-CG2 3.75Å; W277-I368 HydrophobicContact CH2-CD1 4.44Å; W277-I368 HydrophobicContact CZ2-CG2 4.29Å; W277-I368 HydrophobicContact CZ3-CD1 3.63Å
278T94.8Very high91.7Very high1 Ų120.7 Ų20.71%0.00611%0.112CC..Hα-helixtrans-67.9-28.6-177.155.60000112.7I274 R275 G280 W321 C358 R359 F364I274-T278 HydrophobicContact CG2-CG2 4Å; I274-T278 VanDerWaalsContact O-CB 3.32Å; I274-T278 WeakPolarHBondContact O-CB 3.33Å; I274-T278 VanDerWaalsContact O-CG2 3.27Å; I274-T278 WeakPolarHBondContact O-CG2 3.33Å; I274-T278 PolarHBondContact O-N 3.44Å; I274-T278 PolarHBondContact O-OG1 3.3Å; R275-T278 PolarHBondContact O-N 3.3Å; R275-T278 PolarHBondContact O-OG1 2.89Å; T278-G280 PolarHBondContact O-N 2.88Å; T278-W321 VanDerWaalsContact OG1-CZ3 3.29Å; T278-W321 WeakPolarHBondContact OG1-CZ3 3.2Å; T278-C358 CarbonylContact O-C 3.56Å; T278-C358 WeakPolarHBondContact O-CA 3.38Å; T278-R359 WeakPolarHBondContact O-CB 3.12Å; T278-R359 PolarHBondContact O-N 3.26Å; T278-F364 HydrophobicContact CG2-CB 3.84Å; T278-F364 HydrophobicContact CG2-CD2 4.45Å; T278-F364 HydrophobicContact CG2-CG 4.47Å
279C94.3Very high91.8Very high4 Ų420.4 Ų20.43%0.02711%0.11CC..THydrogen-bonded Turntrans-87.19.9177.3-49.20000113.1L255 R275 W277 Y281 L356 C358L255-C279 HydrophobicContact CD1-CB 4.24Å; R275-C279 WeakPolarHBondContact O-CB 3.49Å; R275-C279 PolarHBondContact O-N 3.43Å; R275-C279 PolarHBondContact O-SG 3.04Å; W277-C279 VanDerWaalsContact C-N 3.28Å; W277-C279 PolarHBondContact O-N 2.89Å; C279-Y281 HydrophobicContact CB-CD2 3.96Å; C279-Y281 HydrophobicContact CB-CE2 3.91Å; C279-Y281 WeakPolarHBondContact O-CD2 3.47Å; C279-Y281 WeakPolarHBondContact O-CE2 3.39Å; C279-L356 HydrophobicContact CB-CB 4.37Å; C279-C358 HydrophobicContact CB-CB 3.99Å; C279-C358 WeakPolarHBondContact CB-SG 3.41Å; C279-C358 WeakPolarHBondContact SG-CB 3.5Å; C279-C358 CovalentContact SG-SG 2.03Å; C279-C358 PolarHBondContact SG-SG 3.07Å
280G89.8Confident91.8Very high17 Ų1718.4 Ų18.418%0.17510%0.099CC..THydrogen-bonded Turntrans9111.8170.100000115.4V249 V276 W277 T278V249-G280 WeakPolarHBondContact CA-O 3.4Å; V249-G280 WeakPolarHBondContact CG1-O 3.44Å; V249-G280 WeakPolarHBondContact CG2-O 3.47Å; V276-G280 PolarHBondContact O-N 3.3Å; W277-G280 PolarHBondContact O-N 3.03Å; W277-G280 VanDerWaalsContact O-N 3.16Å; T278-G280 PolarHBondContact O-N 2.88Å
281Y89.4Confident92Very high4 Ų418.2 Ų18.22%0.01610%0.098CC..  trans-96.3179.9173.1-53.6-96.1000110.6V249 Q250 P251 L252 L255 V276 C279V249-Y281 HydrophobicContact CG1-CD1 3.83Å; V249-Y281 HydrophobicContact CG1-CG 4.25Å; Q250-Y281 HydrophobicContact CB-CE1 4.1Å; Q250-Y281 HydrophobicContact CB-CE2 4.39Å; Q250-Y281 WeakPolarHBondContact O-CD1 3.2Å; Q250-Y281 WeakPolarHBondContact O-CE1 3.33Å; P251-Y281 VanDerWaalsContact C-CE1 3.47Å; P251-Y281 WeakPolarHBondContact O-CE1 3.23Å; P251-Y281 PolarHBondContact O-OH 3.49Å; L252-Y281 HydrophobicContact CD2-CD1 3.58Å; L252-Y281 HydrophobicContact CD2-CE1 3.87Å; L252-Y281 HydrophobicContact CD2-CG 4.23Å; L252-Y281 HydrophobicContact CG-CD1 4.1Å; L252-Y281 HydrophobicContact CG-CE1 4.2Å; L255-Y281 HydrophobicContact CB-CE2 4.46Å; L255-Y281 HydrophobicContact CD1-CD2 3.75Å; L255-Y281 HydrophobicContact CD1-CE2 3.59Å; L255-Y281 HydrophobicContact CG-CE2 4.45Å; V276-Y281 CarbonylContact O-C 3.59Å; V276-Y281 WeakPolarHBondContact O-CA 3.35Å; V276-Y281 VanDerWaalsContact O-CB 3.27Å; V276-Y281 WeakPolarHBondContact O-CB 3.19Å; V276-Y281 PolarHBondContact O-N 3.06Å; C279-Y281 HydrophobicContact CB-CD2 3.96Å; C279-Y281 HydrophobicContact CB-CE2 3.91Å; C279-Y281 WeakPolarHBondContact O-CD2 3.47Å; C279-Y281 WeakPolarHBondContact O-CE2 3.39Å
282R86.4Confident92Very high35 Ų3518 Ų1813%0.13210%0.097CC..EExtended strand (participates in β ladder)trans-140.5156.617965.5-172.6-173.7-96.6-20.2112.5H197 E199 T200 I201 W277 E284H197-R282 PolarHBondContact CD2-NH2 2.96Å; H197-R282 VanDerWaalsContact CG-NH2 3.31Å; E199-R282 IonicContact OE1-CZ 2.89Å; E199-R282 VanDerWaalsContact OE1-CZ 3.28Å; E199-R282 IonicContact OE1-NH1 3.64Å; E199-R282 PolarHBondContact OE1-NH1 2.9Å; E199-R282 IonicContact OE1-NH2 4Å; E199-R282 PolarHBondContact OE1-NH2 3.23Å; T200-R282 HydrophobicContact CG2-CG 4.03Å; T200-R282 PolarHBondContact OG1-NE 2.65Å; T200-R282 PolarHBondContact OG1-NH2 2.98Å; I201-R282 PolarHBondContact N-O 3.22Å; W277-R282 HydrophobicContact CE3-CB 4.3Å; W277-R282 HydrophobicContact CH2-CB 3.74Å; W277-R282 HydrophobicContact CZ2-CB 4.47Å; W277-R282 HydrophobicContact CZ3-CB 3.63Å; R282-E284 WeakPolarHBondContact CD-OE1 3.29Å; R282-E284 IonicContact CZ-OE1 2.78Å; R282-E284 IonicContact NE-OE1 3.55Å; R282-E284 PolarHBondContact NE-OE1 2.83Å; R282-E284 IonicContact NH2-OE1 3.28Å
283I89.7Confident92.2Very high36 Ų3618 Ų1819%0.18510%0.096CC..EExtended strand (participates in β ladder)trans-117.2133.4176.7-54.9178.9000108.1I201 V276 W277I201-I283 HydrophobicContact CB-CG1 4.35Å; I201-I283 CarbonylContact O-C 3.51Å; I201-I283 VanDerWaalsContact O-CA 3.27Å; I201-I283 WeakPolarHBondContact O-CA 3.36Å; V276-I283 HydrophobicContact CB-CD1 4.16Å; V276-I283 HydrophobicContact CB-CG1 4.2Å; V276-I283 HydrophobicContact CG1-CD1 4.08Å; V276-I283 HydrophobicContact CG1-CG1 3.56Å; V276-I283 HydrophobicContact CG2-CD1 4.47Å; W277-I283 HydrophobicContact CZ2-CB 4.29Å
284E88.4Confident92.2Very high40 Ų4016 Ų1619%0.1878%0.083CC..EExtended strand (participates in β ladder)trans-130.4135.3-178.2-67.4179.7-154.800111.9R193 T200 I201 V202 S203 R282 L286R193-E284 IonicContact CZ-OE1 2.8Å; R193-E284 IonicContact CZ-OE2 3.6Å; R193-E284 VanDerWaalsContact CZ-OE2 3.22Å; R193-E284 IonicContact NE-OE1 2.74Å; R193-E284 IonicContact NE-OE2 2.71Å; R193-E284 PolarHBondContact NE-OE2 2.95Å; R193-E284 VanDerWaalsContact NH2-CD 3.27Å; R193-E284 IonicContact NH2-OE1 3.78Å; R193-E284 PolarHBondContact NH2-OE1 3.17Å; R193-E284 IonicContact NH2-OE2 2.67Å; R193-E284 PolarHBondContact NH2-OE2 3.25Å; R193-E284 VanDerWaalsContact NH2-OE2 3.11Å; T200-E284 HydrophobicContact CG2-CB 4.09Å; T200-E284 HydrophobicContact CG2-CG 3.8Å; I201-E284 PolarHBondContact O-N 3.45Å; V202-E284 CarbonylContact C-O 3.55Å; V202-E284 WeakPolarHBondContact CA-O 3.36Å; S203-E284 PolarHBondContact N-O 2.88Å; R282-E284 WeakPolarHBondContact CD-OE1 3.29Å; R282-E284 IonicContact CZ-OE1 2.78Å; R282-E284 IonicContact NE-OE1 3.55Å; R282-E284 PolarHBondContact NE-OE1 2.83Å; R282-E284 IonicContact NH2-OE1 3.28Å; E284-L286 HydrophobicContact CB-CD2 4.29Å
285V84.9Confident91.7Very high39 Ų3919.6 Ų19.624%0.23610%0.098CC..EExtended strand (participates in β ladder)trans-98.3121.3171.4-179.60000107.9S203 V205 P287S203-V285 CarbonylContact O-C 3.59Å; S203-V285 WeakPolarHBondContact O-CA 3.27Å; V205-V285 HydrophobicContact CB-CG1 4.5Å; V205-V285 HydrophobicContact CG2-CG1 3.59Å; V285-P287 WeakPolarHBondContact O-CD 3.48Å
286L88.5Confident91.2Very high25 Ų2521.9 Ų21.913%0.13111%0.107CC..EExtended strand (participates in β ladder)trans-100.3108.7-175.4-58.7-169.5000111.3P189 L190 R193 V202 S203 E284 C288 S289P189-L286 HydrophobicContact CB-CD1 4.46Å; P189-L286 VanDerWaalsContact O-CD1 3.26Å; P189-L286 WeakPolarHBondContact O-CD1 3.49Å; L190-L286 HydrophobicContact CD2-CD1 3.99Å; L190-L286 HydrophobicContact CD2-CG 4.42Å; R193-L286 HydrophobicContact CB-CD1 3.64Å; R193-L286 HydrophobicContact CG-CD1 4.06Å; R193-L286 HydrophobicContact CG-CD2 4.28Å; V202-L286 HydrophobicContact CB-CD1 4.25Å; V202-L286 HydrophobicContact CB-CG 4.47Å; V202-L286 HydrophobicContact CG1-CD1 4.27Å; S203-L286 PolarHBondContact O-N 2.82Å; E284-L286 HydrophobicContact CB-CD2 4.29Å; L286-C288 VanDerWaalsContact C-N 3.26Å; L286-C288 PolarHBondContact O-N 2.8Å; L286-C288 VanDerWaalsContact O-N 3.15Å; L286-S289 PolarHBondContact O-N 3.12Å; L286-S289 VanDerWaalsContact O-O 3.11Å
287P84.3Confident90.5Very high29 Ų2926.6 Ų26.619%0.18813%0.128CC..EExtended strand (participates in β ladder)trans-63.3-25-172.9-26.336.9000115.9P52 I221 V285 S289 R290P52-P287 VanDerWaalsContact CD-O 3.27Å; P52-P287 WeakPolarHBondContact CD-O 3.44Å; P52-P287 HydrophobicContact CG-CB 4.38Å; I221-P287 HydrophobicContact CD1-CB 3.8Å; I221-P287 HydrophobicContact CD1-CG 3.68Å; I221-P287 HydrophobicContact CG1-CB 4.26Å; I221-P287 HydrophobicContact CG1-CG 4.3Å; V285-P287 WeakPolarHBondContact O-CD 3.48Å; P287-S289 VanDerWaalsContact C-N 3.31Å; P287-R290 PolarHBondContact O-NE 3.13Å
288C90.3Very high89.9Confident7 Ų729.4 Ų29.45%0.04714%0.138CC..EExtended strand (participates in β ladder)trans-80.9-10177-59.30000113.3R51 C74 P189 L286R51-C288 VanDerWaalsContact CD-O 3.24Å; R51-C288 WeakPolarHBondContact CD-O 3.43Å; R51-C288 WeakPolarHBondContact CG-O 3.36Å; C74-C288 HydrophobicContact CB-CB 3.63Å; C74-C288 WeakPolarHBondContact CB-SG 3.33Å; C74-C288 WeakPolarHBondContact SG-CA 3.33Å; C74-C288 WeakPolarHBondContact SG-CB 3.33Å; C74-C288 CovalentContact SG-SG 2.05Å; C74-C288 PolarHBondContact SG-SG 2.85Å; P189-C288 HydrophobicContact CB-CB 4.34Å; P189-C288 HydrophobicContact CG-CB 4.16Å; L286-C288 VanDerWaalsContact C-N 3.26Å; L286-C288 PolarHBondContact O-N 2.8Å; L286-C288 VanDerWaalsContact O-N 3.15Å
289S94.4Very high89.2Confident0 Ų034.3 Ų34.30%016%0.156CC..EExtended strand (participates in β ladder)trans-102.4123.4172.9-177.60000109.1W186 L190 P204 V205 L286 P287W186-S289 WeakPolarHBondContact O-CB 3.26Å; W186-S289 PolarHBondContact O-OG 3.17Å; L190-S289 WeakPolarHBondContact CG-OG 3.26Å; P204-S289 WeakPolarHBondContact CA-O 3.08Å; P204-S289 WeakPolarHBondContact CB-O 3.34Å; P204-S289 WeakPolarHBondContact CB-OG 3.36Å; V205-S289 PolarHBondContact N-O 3.3Å; L286-S289 PolarHBondContact O-N 3.12Å; L286-S289 VanDerWaalsContact O-O 3.11Å; P287-S289 VanDerWaalsContact C-N 3.31Å
290R94.4Very high88.4Confident11 Ų1135 Ų354%0.04216%0.161CC..EExtended strand (participates in β ladder)trans-128.4129.8-174.8-63.2-64.3179.8141.4-1.9110.8R51 N183 W186 D207 S219 P287R51-R290 HydrophobicContact CG-CG 3.9Å; N183-R290 HydrophobicContact CB-CB 3.7Å; N183-R290 WeakPolarHBondContact CB-O 3.17Å; N183-R290 PolarHBondContact N-O 2.89Å; N183-R290 VanDerWaalsContact N-O 3.09Å; W186-R290 WeakPolarHBondContact CB-O 3.47Å; D207-R290 IonicContact OD1-CZ 3.22Å; D207-R290 IonicContact OD1-NH1 3.11Å; D207-R290 PolarHBondContact OD1-NH1 3.49Å; S219-R290 PolarHBondContact O-NH1 3.28Å; P287-R290 PolarHBondContact O-NE 3.13Å
291V98.3Very high87.7Confident2 Ų237.3 Ų37.31%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-134.8122.3175.4177.60000108.1L176 C180 V182 W186 P204 V205 I206 D207L176-V291 HydrophobicContact CD2-CG1 4.19Å; C180-V291 HydrophobicContact CB-CG1 3.75Å; V182-V291 HydrophobicContact CG1-CG1 4.34Å; V182-V291 HydrophobicContact CG1-CG2 4.2Å; W186-V291 HydrophobicContact CD2-CG2 4.39Å; W186-V291 HydrophobicContact CE3-CG2 3.63Å; W186-V291 HydrophobicContact CZ3-CG2 4.23Å; P204-V291 HydrophobicContact CB-CB 4.26Å; P204-V291 HydrophobicContact CB-CG2 3.81Å; P204-V291 HydrophobicContact CG-CB 4.03Å; P204-V291 HydrophobicContact CG-CG2 3.68Å; V205-V291 PolarHBondContact O-N 3.03Å; V205-V291 VanDerWaalsContact O-N 3.13Å; I206-V291 CarbonylContact C-O 3.58Å; I206-V291 WeakPolarHBondContact CA-O 3.08Å; D207-V291 PolarHBondContact N-O 3.46Å
292G97.9Very high86.8Confident0 Ų043.2 Ų43.20%020%0.201CC..EExtended strand (participates in β ladder)trans-79.2141.6174.600000110.8C180 E181 D207 Y216C180-G292 CarbonylContact C-O 3.54Å; C180-G292 WeakPolarHBondContact CA-O 3.44Å; C180-G292 VanDerWaalsContact CB-O 3.28Å; C180-G292 WeakPolarHBondContact CB-O 3.47Å; E181-G292 PolarHBondContact N-O 2.83Å; E181-G292 PolarHBondContact O-N 2.76Å; D207-G292 CarbonylContact O-C 3.6Å; D207-G292 WeakPolarHBondContact O-CA 3.44Å; Y216-G292 VanDerWaalsContact CE2-CA 3.4Å; Y216-G292 PolarHBondContact OH-N 2.79Å
293H97.6Very high86Confident25 Ų2543.7 Ų43.712%0.11621%0.21CC..EExtended strand (participates in β ladder)trans-129.7136.7180-175.4-77.2000110.7D177 H179 C180 I206 D207 I209 F295D177-H293 IonicContact OD2-CD2 2.93Å; D177-H293 IonicContact OD2-CE1 3.15Å; D177-H293 IonicContact OD2-NE2 2.65Å; D177-H293 PolarHBondContact OD2-NE2 2.85Å; H179-H293 AromaticContact CD2-CE1 3.49Å; H179-H293 PolarHBondContact CD2-CE1 2.77Å; H179-H293 VanDerWaalsContact CD2-CE1 3.49Å; H179-H293 AromaticContact CD2-ND1 3.98Å; H179-H293 AromaticContact CD2-NE2 3.61Å; H179-H293 AromaticContact NE2-CE1 3.13Å; H179-H293 PolarHBondContact NE2-CE1 2.79Å; H179-H293 AromaticContact NE2-NE2 3.17Å; H179-H293 PolarHBondContact NE2-NE2 2.89Å; H179-H293 VanDerWaalsContact NE2-NE2 3.17Å; C180-H293 VanDerWaalsContact SG-CD2 3.53Å; I206-H293 HydrophobicContact CG2-CB 3.5Å; D207-H293 PolarHBondContact O-N 3.21Å; I209-H293 PolarHBondContact N-O 3.26Å; H293-F295 HydrophobicContact CB-CE2 4.27Å; H293-F295 HydrophobicContact CB-CZ 4.43Å; H293-F295 WeakPolarHBondContact O-CD2 3.37Å; H293-F295 PolarHBondContact O-N 2.98Å
294V96Very high85.1Confident1 Ų146.7 Ų46.71%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-78.6100172.2-178.40000110.1F33 H179 I209 F214 R296F33-V294 HydrophobicContact CB-CG1 4.22Å; F33-V294 HydrophobicContact CD1-CG1 4.04Å; F33-V294 HydrophobicContact CG-CG1 4.27Å; H179-V294 HydrophobicContact CB-CB 4.21Å; H179-V294 HydrophobicContact CB-CG2 4.33Å; H179-V294 PolarHBondContact CD2-O 3.1Å; H179-V294 VanDerWaalsContact CD2-O 3.28Å; H179-V294 WeakPolarHBondContact O-CG2 3.32Å; H179-V294 PolarHBondContact O-N 3.29Å; H179-V294 VanDerWaalsContact O-N 3.13Å; I209-V294 HydrophobicContact CB-CG2 3.78Å; I209-V294 HydrophobicContact CD1-CG2 4.28Å; I209-V294 HydrophobicContact CG2-CG2 3.67Å; I209-V294 WeakPolarHBondContact O-CA 3.23Å; F214-V294 HydrophobicContact CD1-CG2 4.42Å; F214-V294 HydrophobicContact CE1-CG2 3.83Å; F214-V294 HydrophobicContact CZ-CG2 4.42Å; V294-R296 PolarHBondContact O-N 2.83Å; V294-R296 VanDerWaalsContact O-N 3.12Å
295F84.5Confident84.3Confident76 Ų7648 Ų4833%0.33324%0.237SC..  trans-73105.1175.5-69.3-81000111I206 V208 H293I206-F295 HydrophobicContact CG2-CE2 4.2Å; I206-F295 HydrophobicContact CG2-CZ 3.74Å; V208-F295 HydrophobicContact CB-CD2 4.35Å; V208-F295 HydrophobicContact CB-CE2 4.36Å; V208-F295 HydrophobicContact CG1-CD2 4.24Å; V208-F295 HydrophobicContact CG2-CD2 3.89Å; V208-F295 HydrophobicContact CG2-CE2 3.67Å; H293-F295 HydrophobicContact CB-CE2 4.27Å; H293-F295 HydrophobicContact CB-CZ 4.43Å; H293-F295 WeakPolarHBondContact O-CD2 3.37Å; H293-F295 PolarHBondContact O-N 2.98Å
296R85.3Confident83.5Confident47 Ų4752.3 Ų52.318%0.17727%0.269CS..  trans-78.2138.9179.1-54.2179.8-175.4-179.3-8110.7A32 F33 E95 H179 V294 R298 Y301A32-R296 HydrophobicContact CB-CB 4.27Å; F33-R296 HydrophobicContact CD1-CG 4.22Å; E95-R296 VanDerWaalsContact CD-NH2 3.27Å; E95-R296 IonicContact OE1-NH2 3.68Å; E95-R296 PolarHBondContact OE1-NH2 3.1Å; E95-R296 VanDerWaalsContact OE1-NH2 3.14Å; E95-R296 IonicContact OE2-CZ 3.15Å; E95-R296 IonicContact OE2-NH2 2.76Å; E95-R296 PolarHBondContact OE2-NH2 2.95Å; H179-R296 PolarHBondContact ND1-NH2 3.38Å; V294-R296 PolarHBondContact O-N 2.83Å; V294-R296 VanDerWaalsContact O-N 3.12Å; R296-R298 WeakPolarHBondContact CB-O 3.14Å; R296-R298 PolarHBondContact O-N 2.55Å; R296-Y301 PolarHBondContact NH1-OH 3.13Å
297K77.3Confident82.7Confident100 Ų10055.1 Ų55.144%0.43528%0.278SS..SBendtrans-68.7-19.6174.8-62.8177.7-177.2165.70113.4D212 S465D212-K297 IonicContact OD1-NZ 3.52Å; D212-K297 PolarHBondContact OD1-NZ 3.17Å; D212-K297 IonicContact OD2-NZ 3.44Å; D212-K297 PolarHBondContact OD2-NZ 3.39Å; K297-S465 PolarHBondContact NZ-OG 2.9Å
298R81.6Confident82.3Confident119 Ų11958.3 Ų58.345%0.44929%0.291SS..SBendtrans-154.6166.3176.566176.4-175.288.2-1.1111.1Y28 K29 A32 R296Y28-R298 PolarHBondContact O-NH2 2.78Å; K29-R298 PolarHBondContact O-NH2 3.28Å; A32-R298 HydrophobicContact CB-CG 3.66Å; A32-R298 VanDerWaalsContact CB-O 3.29Å; A32-R298 WeakPolarHBondContact CB-O 3.44Å; R296-R298 WeakPolarHBondContact CB-O 3.14Å; R296-R298 PolarHBondContact O-N 2.55Å
299R79.5Confident82Confident103 Ų10358.2 Ų58.239%0.38929%0.29SS..  trans-73.4130.1167.2-55.8-173.4-158.3161.518.5109.3W265 Y301 E308 S310W265-R299 VanDerWaalsContact CE3-NH1 3.26Å; R299-Y301 VanDerWaalsContact C-N 3.33Å; R299-E308 IonicContact NH2-OE1 2.84Å; R299-S310 PolarHBondContact NH2-OG 2.79Å
300P78.9Confident81.7Confident18 Ų1858.5 Ų58.512%0.11729%0.292CS..  trans-79-16.9179.822.5-24.7000114.1N30 A32N30-P300 VanDerWaalsContact O-CB 3.25Å; N30-P300 WeakPolarHBondContact O-CB 3.43Å; A32-P300 HydrophobicContact CB-CB 4.15Å; A32-P300 HydrophobicContact CB-CG 4.47Å
301Y74.9Confident81.4Confident67 Ų6758.3 Ų58.326%0.26329%0.292SS..SBendtrans-99144.2-172.5-31-67000111.6Y93 N94 R296 R299Y93-Y301 AromaticContact CD1-CD1 3.37Å; Y93-Y301 HydrophobicContact CD1-CD1 3.37Å; Y93-Y301 HydrophobicContact CD1-CD2 4.45Å; Y93-Y301 AromaticContact CD1-CE1 3.66Å; Y93-Y301 HydrophobicContact CD1-CE1 3.66Å; Y93-Y301 AromaticContact CD1-CG 3.77Å; Y93-Y301 HydrophobicContact CD1-CG 3.77Å; Y93-Y301 AromaticContact CE1-CD1 3.66Å; Y93-Y301 HydrophobicContact CE1-CD1 3.66Å; Y93-Y301 HydrophobicContact CE1-CE1 4.34Å; Y93-Y301 HydrophobicContact CE1-CG 4.05Å; Y93-Y301 WeakPolarHBondContact O-CE1 3.46Å; Y93-Y301 PolarHBondContact O-OH 3.24Å; N94-Y301 HydrophobicContact CB-CD1 4.43Å; N94-Y301 HydrophobicContact CB-CE1 4.19Å; R296-Y301 PolarHBondContact NH1-OH 3.13Å; R299-Y301 VanDerWaalsContact C-N 3.33Å
302T70.4Confident81Confident127 Ų12759.4 Ų59.478%0.77930%0.296SS*.PPolyproline II helixtrans-77.7144.2166.5490000110
303S68.8Low80.8Confident46 Ų4659.4 Ų59.432%0.32230%0.296SS..PPolyproline II helixtrans-77.9132.6168.4-178.70000108.5L264 F305L264-S303 WeakPolarHBondContact CD1-OG 3.28Å; S303-F305 PolarHBondContact O-N 2.86Å; S303-F305 WeakPolarHBondContact OG-CB 3.07Å; S303-F305 WeakPolarHBondContact OG-CD2 2.92Å; S303-F305 PolarHBondContact OG-N 3.46Å; S303-F305 PolarHBondContact OG-O 3.33Å
304P70.9Confident80.7Confident98 Ų9858.4 Ų58.464%0.63629%0.291SS*.SBendtrans-62-15.9164.325.9-36.9000112.7L264L264-P304 HydrophobicContact CD1-CG 4.29Å
305F71.9Confident80.6Confident67 Ų6758.4 Ų58.429%0.29429%0.291SS..SBendtrans-88.8143.4176.5-52.2-74.4000111.1E263 L264 S303 Y307 T309E263-F305 HydrophobicContact CB-CE2 3.97Å; E263-F305 HydrophobicContact CB-CZ 4.41Å; E263-F305 HydrophobicContact CG-CE2 4.17Å; E263-F305 HydrophobicContact CG-CZ 4.09Å; L264-F305 HydrophobicContact CD1-CD2 3.81Å; L264-F305 HydrophobicContact CD1-CE2 3.97Å; L264-F305 HydrophobicContact CG-CD2 4.26Å; L264-F305 HydrophobicContact CG-CE2 3.93Å; S303-F305 PolarHBondContact O-N 2.86Å; S303-F305 WeakPolarHBondContact OG-CB 3.07Å; S303-F305 WeakPolarHBondContact OG-CD2 2.92Å; S303-F305 PolarHBondContact OG-N 3.46Å; S303-F305 PolarHBondContact OG-O 3.33Å; F305-Y307 HydrophobicContact CB-CD1 4.19Å; F305-Y307 HydrophobicContact CB-CD2 4.49Å; F305-Y307 HydrophobicContact CB-CE1 3.94Å; F305-Y307 HydrophobicContact CB-CE2 4.22Å; F305-Y307 HydrophobicContact CB-CG 4.47Å; F305-Y307 HydrophobicContact CD1-CE1 4.27Å; F305-Y307 HydrophobicContact CG-CE1 4.41Å; F305-Y307 HydrophobicContact CG-CE2 4.5Å; F305-Y307 PolarHBondContact O-N 2.9Å; F305-T309 HydrophobicContact CB-CG2 4.41Å; F305-T309 HydrophobicContact CD2-CG2 3.5Å; F305-T309 VanDerWaalsContact CD2-CG2 3.5Å; F305-T309 HydrophobicContact CE2-CG2 4.18Å; F305-T309 HydrophobicContact CG-CG2 4.27Å
306S67.6Low81.2Confident131 Ų13155.1 Ų55.192%0.91628%0.277SS*.SBendtrans-74.8-0.7176.956.70000114.3
307Y71.2Confident81.7Confident83 Ų8353 Ų5333%0.32527%0.269SS..SBendtrans-126.6162-179.257.4-94.5000111.3E263 F305 T309 R312E263-Y307 VanDerWaalsContact CD-OH 3.25Å; E263-Y307 PolarHBondContact OE1-OH 3.14Å; E263-Y307 VanDerWaalsContact OE2-CE2 3.23Å; E263-Y307 WeakPolarHBondContact OE2-CE2 3.43Å; E263-Y307 VanDerWaalsContact OE2-CZ 3.29Å; E263-Y307 PolarHBondContact OE2-OH 2.92Å; F305-Y307 HydrophobicContact CB-CD1 4.19Å; F305-Y307 HydrophobicContact CB-CD2 4.49Å; F305-Y307 HydrophobicContact CB-CE1 3.94Å; F305-Y307 HydrophobicContact CB-CE2 4.22Å; F305-Y307 HydrophobicContact CB-CG 4.47Å; F305-Y307 HydrophobicContact CD1-CE1 4.27Å; F305-Y307 HydrophobicContact CG-CE1 4.41Å; F305-Y307 HydrophobicContact CG-CE2 4.5Å; F305-Y307 PolarHBondContact O-N 2.9Å; Y307-T309 PolarHBondContact O-N 2.92Å; Y307-R312 HydrophobicContact CE2-CB 4.15Å
308E76.9Confident82.6Confident97 Ų9748.2 Ų48.245%0.45325%0.248SC..  trans-71.1113.8175.9-178.3163.2-176.100110.8R299 S310 T311 R312R299-E308 IonicContact NH2-OE1 2.84Å; E308-S310 VanDerWaalsContact C-N 3.26Å; E308-S310 WeakPolarHBondContact CG-OG 3.39Å; E308-S310 PolarHBondContact O-N 2.98Å; E308-S310 PolarHBondContact OE1-OG 3.15Å; E308-T311 WeakPolarHBondContact O-CB 3.46Å; E308-T311 PolarHBondContact O-N 3.11Å; E308-R312 PolarHBondContact O-N 2.85Å
309T84.5Confident83.3Confident5 Ų543.7 Ų43.73%0.03123%0.234CC..Hα-helixtrans-64-32.3-178.458.60000112.6E263 L264 W265 F305 Y307 T311 R312 N313E263-T309 HydrophobicContact CB-CG2 3.94Å; E263-T309 WeakPolarHBondContact O-CB 3.26Å; L264-T309 HydrophobicContact CB-CG2 4.26Å; L264-T309 HydrophobicContact CD1-CG2 3.78Å; L264-T309 HydrophobicContact CG-CG2 4.2Å; W265-T309 PolarHBondContact O-OG1 3.49Å; F305-T309 HydrophobicContact CB-CG2 4.41Å; F305-T309 HydrophobicContact CD2-CG2 3.5Å; F305-T309 VanDerWaalsContact CD2-CG2 3.5Å; F305-T309 HydrophobicContact CE2-CG2 4.18Å; F305-T309 HydrophobicContact CG-CG2 4.27Å; Y307-T309 PolarHBondContact O-N 2.92Å; T309-T311 VanDerWaalsContact C-N 3.28Å; T309-T311 PolarHBondContact O-N 3Å; T309-R312 PolarHBondContact O-N 2.93Å; T309-N313 WeakPolarHBondContact O-CB 3.31Å; T309-N313 PolarHBondContact O-N 2.83Å; T309-N313 PolarHBondContact O-ND2 2.98Å; T309-N313 PolarHBondContact O-OD1 3.12Å
310S86.4Confident84.2Confident6 Ų639 Ų394%0.04222%0.217CC..Hα-helixtrans-56.9-43.5174.81.30000110.9R299 E308 R312 N313 N314R299-S310 PolarHBondContact NH2-OG 2.79Å; E308-S310 VanDerWaalsContact C-N 3.26Å; E308-S310 WeakPolarHBondContact CG-OG 3.39Å; E308-S310 PolarHBondContact O-N 2.98Å; E308-S310 PolarHBondContact OE1-OG 3.15Å; S310-R312 PolarHBondContact O-N 2.82Å; S310-N313 PolarHBondContact O-N 2.78Å; S310-N314 WeakPolarHBondContact O-CB 3.36Å; S310-N314 VanDerWaalsContact O-CG 3.28Å; S310-N314 PolarHBondContact O-N 3.04Å; S310-N314 PolarHBondContact O-OD1 2.92Å
311T88.6Confident85.1Confident7 Ų738.2 Ų38.24%0.04321%0.211CC..Hα-helixtrans-60.9-48.8-179.6-57.20000110.8E308 T309 N313 N314 I315 E335 Y336 F339E308-T311 WeakPolarHBondContact O-CB 3.46Å; E308-T311 PolarHBondContact O-N 3.11Å; T309-T311 VanDerWaalsContact C-N 3.28Å; T309-T311 PolarHBondContact O-N 3Å; T311-N313 PolarHBondContact O-N 3.24Å; T311-N314 PolarHBondContact O-N 3.49Å; T311-I315 HydrophobicContact CG2-CD1 4.19Å; T311-I315 VanDerWaalsContact O-CG1 3.24Å; T311-I315 WeakPolarHBondContact O-CG1 3.41Å; T311-I315 PolarHBondContact O-N 3.02Å; T311-E335 PolarHBondContact OG1-OE1 3.46Å; T311-Y336 HydrophobicContact CG2-CD1 3.68Å; T311-Y336 HydrophobicContact CG2-CE1 3.64Å; T311-F339 HydrophobicContact CG2-CD2 4.29Å
312R90.8Very high86.1Confident25 Ų2535 Ų359%0.09420%0.199CC..Hα-helixtrans-61.2-45.2177-172.8-175.4165.2-81.49.5112G261 E263 Y307 E308 T309 S310 I315 R316 S342 Y343G261-R312 PolarHBondContact O-NH1 3.23Å; G261-R312 PolarHBondContact O-NH2 3.41Å; G261-R312 VanDerWaalsContact O-NH2 3.11Å; E263-R312 IonicContact OE1-CZ 3.28Å; E263-R312 IonicContact OE1-NE 3.86Å; E263-R312 PolarHBondContact OE1-NE 3.28Å; E263-R312 IonicContact OE1-NH1 3.01Å; E263-R312 IonicContact OE1-NH2 2.75Å; E263-R312 PolarHBondContact OE1-NH2 3.4Å; E263-R312 WeakPolarHBondContact OE2-CD 3Å; E263-R312 IonicContact OE2-NE 3.74Å; Y307-R312 HydrophobicContact CE2-CB 4.15Å; E308-R312 PolarHBondContact O-N 2.85Å; T309-R312 PolarHBondContact O-N 2.93Å; S310-R312 PolarHBondContact O-N 2.82Å; R312-I315 PolarHBondContact O-N 2.76Å; R312-R316 WeakPolarHBondContact O-CG 3.38Å; R312-R316 PolarHBondContact O-N 2.74Å; R312-S342 PolarHBondContact NE-O 3.22Å; R312-Y343 PolarHBondContact NH2-O 2.79Å
313N94.3Very high87.4Confident0 Ų031.8 Ų31.80%018%0.177CC..Hα-helixtrans-66.3-40.2-179.4-64.1-14.5000111.8M262 E263 W265 G266 T309 S310 T311 I315 R316 T317M262-N313 VanDerWaalsContact CA-OD1 3.23Å; M262-N313 WeakPolarHBondContact CA-OD1 3.4Å; M262-N313 HydrophobicContact CB-CB 4.36Å; M262-N313 WeakPolarHBondContact CB-OD1 3.47Å; M262-N313 HydrophobicContact CE-CB 4.49Å; M262-N313 HydrophobicContact CG-CB 4.01Å; M262-N313 HydrophobicContact SD-CB 4.31Å; E263-N313 PolarHBondContact N-ND2 2.97Å; E263-N313 PolarHBondContact N-OD1 2.69Å; E263-N313 PolarHBondContact O-ND2 2.87Å; W265-N313 PolarHBondContact O-ND2 3.02Å; G266-N313 WeakPolarHBondContact O-CB 3.45Å; G266-N313 PolarHBondContact O-ND2 3.49Å; T309-N313 WeakPolarHBondContact O-CB 3.31Å; T309-N313 PolarHBondContact O-N 2.83Å; T309-N313 PolarHBondContact O-ND2 2.98Å; T309-N313 PolarHBondContact O-OD1 3.12Å; S310-N313 PolarHBondContact O-N 2.78Å; T311-N313 PolarHBondContact O-N 3.24Å; N313-I315 VanDerWaalsContact C-N 3.34Å; N313-I315 PolarHBondContact O-N 2.89Å; N313-R316 WeakPolarHBondContact O-CB 3.21Å; N313-R316 PolarHBondContact O-N 3.28Å; N313-R316 VanDerWaalsContact O-N 3.17Å; N313-T317 PolarHBondContact O-N 2.85Å; N313-T317 PolarHBondContact O-OG1 3Å; N313-T317 VanDerWaalsContact O-OG1 3.14Å
314N94.9Very high88.6Confident3 Ų333.5 Ų33.52%0.01618%0.18CC..Hα-helixtrans-62.4-40.4174.5-75.34.2000111.3K229 L230 G267 S310 T311 R316 T317 A318 F330 Y336K229-N314 PolarHBondContact O-ND2 2.96Å; L230-N314 HydrophobicContact CB-CB 4.25Å; L230-N314 HydrophobicContact CD1-CB 4.3Å; L230-N314 WeakPolarHBondContact CD1-O 3.27Å; L230-N314 PolarHBondContact O-ND2 2.8Å; G267-N314 VanDerWaalsContact CA-OD1 3.28Å; G267-N314 WeakPolarHBondContact CA-OD1 3.45Å; S310-N314 WeakPolarHBondContact O-CB 3.36Å; S310-N314 VanDerWaalsContact O-CG 3.28Å; S310-N314 PolarHBondContact O-N 3.04Å; S310-N314 PolarHBondContact O-OD1 2.92Å; T311-N314 PolarHBondContact O-N 3.49Å; N314-R316 PolarHBondContact O-N 2.88Å; N314-T317 WeakPolarHBondContact O-CB 3.37Å; N314-T317 PolarHBondContact O-N 3.4Å; N314-A318 VanDerWaalsContact O-CB 3.3Å; N314-A318 WeakPolarHBondContact O-CB 3.36Å; N314-A318 PolarHBondContact O-N 3.36Å; N314-F330 HydrophobicContact CB-CE2 4.28Å; N314-F330 HydrophobicContact CB-CZ 4.11Å; N314-Y336 HydrophobicContact CB-CE1 4.1Å
315I94.4Very high89.7Confident1 Ų130.6 Ų30.61%0.00516%0.156CC..Hα-helixtrans-64-41.3174.3-61.3162.7000110.7T311 R312 N313 T317 A318 V319 F330 Y336 F339 Y343T311-I315 HydrophobicContact CG2-CD1 4.19Å; T311-I315 VanDerWaalsContact O-CG1 3.24Å; T311-I315 WeakPolarHBondContact O-CG1 3.41Å; T311-I315 PolarHBondContact O-N 3.02Å; R312-I315 PolarHBondContact O-N 2.76Å; N313-I315 VanDerWaalsContact C-N 3.34Å; N313-I315 PolarHBondContact O-N 2.89Å; I315-T317 VanDerWaalsContact C-N 3.32Å; I315-T317 PolarHBondContact O-N 2.71Å; I315-A318 PolarHBondContact O-N 3.17Å; I315-V319 HydrophobicContact CG2-CG2 4.12Å; I315-V319 WeakPolarHBondContact O-CG2 3.32Å; I315-V319 PolarHBondContact O-N 2.99Å; I315-F330 HydrophobicContact CB-CE1 4.43Å; I315-F330 HydrophobicContact CG1-CE1 3.86Å; I315-F330 HydrophobicContact CG1-CZ 4.07Å; I315-Y336 HydrophobicContact CD1-CD1 4.11Å; I315-Y336 HydrophobicContact CG1-CD1 3.74Å; I315-F339 HydrophobicContact CD1-CB 3.65Å; I315-F339 WeakPolarHBondContact CD1-O 3.44Å; I315-Y343 HydrophobicContact CG2-CD1 3.51Å; I315-Y343 HydrophobicContact CG2-CE1 4.46Å; I315-Y343 HydrophobicContact CG2-CG 3.91Å
316R95.6Very high90.8Very high8 Ų829 Ų293%0.0315%0.151CC..Hα-helixtrans-57-47.8174.3-70.2-178.165.580.30.4111.2D259 R312 N313 N314 A318 V320 Y343 N345 V346D259-R316 VanDerWaalsContact CG-NH2 3.33Å; D259-R316 IonicContact OD1-NH2 2.66Å; D259-R316 PolarHBondContact OD1-NH2 3.41Å; D259-R316 VanDerWaalsContact OD1-NH2 3.15Å; D259-R316 IonicContact OD2-CZ 2.76Å; D259-R316 IonicContact OD2-NE 3.6Å; D259-R316 PolarHBondContact OD2-NE 3.22Å; D259-R316 IonicContact OD2-NH2 3.51Å; D259-R316 PolarHBondContact OD2-NH2 3.28Å; R312-R316 WeakPolarHBondContact O-CG 3.38Å; R312-R316 PolarHBondContact O-N 2.74Å; N313-R316 WeakPolarHBondContact O-CB 3.21Å; N313-R316 PolarHBondContact O-N 3.28Å; N313-R316 VanDerWaalsContact O-N 3.17Å; N314-R316 PolarHBondContact O-N 2.88Å; R316-A318 VanDerWaalsContact C-N 3.34Å; R316-V320 VanDerWaalsContact O-CG2 3.29Å; R316-V320 WeakPolarHBondContact O-CG2 3.42Å; R316-V320 PolarHBondContact O-N 2.95Å; R316-Y343 WeakPolarHBondContact CD-O 3.42Å; R316-Y343 HydrophobicContact CG-CD2 4.45Å; R316-Y343 VanDerWaalsContact CG-O 3.29Å; R316-Y343 WeakPolarHBondContact CG-O 3.38Å; R316-Y343 PolarHBondContact NH1-O 2.74Å; R316-N345 PolarHBondContact NH1-O 2.73Å; R316-N345 PolarHBondContact NH2-O 3.24Å; R316-N345 VanDerWaalsContact NH2-O 3.08Å; R316-V346 HydrophobicContact CB-CG1 4.3Å; R316-V346 HydrophobicContact CG-CG1 4.23Å
317T96.9Very high91.9Very high1 Ų127.9 Ų27.91%0.00614%0.138CC..Hα-helixtrans-58.3-49175.4-580000110.5L230 M262 I270 E271 I274 N313 N314 I315 V319 V320 W321L230-T317 HydrophobicContact CD1-CG2 3.94Å; M262-T317 WeakPolarHBondContact CE-OG1 3.49Å; I270-T317 HydrophobicContact CG2-CG2 4.43Å; E271-T317 HydrophobicContact CB-CG2 3.92Å; E271-T317 HydrophobicContact CG-CG2 4.27Å; I274-T317 HydrophobicContact CD1-CG2 4.16Å; N313-T317 PolarHBondContact O-N 2.85Å; N313-T317 PolarHBondContact O-OG1 3Å; N313-T317 VanDerWaalsContact O-OG1 3.14Å; N314-T317 WeakPolarHBondContact O-CB 3.37Å; N314-T317 PolarHBondContact O-N 3.4Å; I315-T317 VanDerWaalsContact C-N 3.32Å; I315-T317 PolarHBondContact O-N 2.71Å; T317-V319 PolarHBondContact O-N 3.17Å; T317-V320 PolarHBondContact O-N 3.25Å; T317-W321 WeakPolarHBondContact O-CB 3.14Å; T317-W321 PolarHBondContact O-N 2.75Å
318A96.4Very high92.6Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-57.6-50-178.100000112.6L230 N314 I315 R316 V320 W321 L322 L326 F330L230-A318 HydrophobicContact CD1-CB 4.18Å; N314-A318 VanDerWaalsContact O-CB 3.3Å; N314-A318 WeakPolarHBondContact O-CB 3.36Å; N314-A318 PolarHBondContact O-N 3.36Å; I315-A318 PolarHBondContact O-N 3.17Å; R316-A318 VanDerWaalsContact C-N 3.34Å; A318-V320 VanDerWaalsContact C-N 3.25Å; A318-V320 PolarHBondContact O-N 2.79Å; A318-W321 PolarHBondContact O-N 2.87Å; A318-L322 HydrophobicContact CB-CD1 3.68Å; A318-L322 HydrophobicContact CB-CG 4.24Å; A318-L322 WeakPolarHBondContact O-CB 3.01Å; A318-L322 PolarHBondContact O-N 3.41Å; A318-L326 HydrophobicContact CB-CD1 3.71Å; A318-F330 HydrophobicContact CB-CD1 3.52Å; A318-F330 HydrophobicContact CB-CD2 4.07Å; A318-F330 HydrophobicContact CB-CE1 3.53Å; A318-F330 HydrophobicContact CB-CE2 4.1Å; A318-F330 HydrophobicContact CB-CG 3.8Å; A318-F330 HydrophobicContact CB-CZ 3.84Å
319V95.8Very high93.2Very high24 Ų2426.3 Ų26.315%0.14514%0.138CC..Hα-helixtrans-64.8-28.3-179.2172.80000113I315 T317 L326 Y343 V346I315-V319 HydrophobicContact CG2-CG2 4.12Å; I315-V319 WeakPolarHBondContact O-CG2 3.32Å; I315-V319 PolarHBondContact O-N 2.99Å; T317-V319 PolarHBondContact O-N 3.17Å; V319-L326 HydrophobicContact CG2-CD1 4.3Å; V319-L326 HydrophobicContact CG2-CD2 4.23Å; V319-Y343 HydrophobicContact CB-CE2 4.36Å; V319-Y343 HydrophobicContact CG1-CE1 4.44Å; V319-Y343 HydrophobicContact CG1-CE2 3.95Å; V319-Y343 HydrophobicContact CG2-CD1 3.98Å; V319-Y343 HydrophobicContact CG2-CE1 3.68Å; V319-Y343 HydrophobicContact CG2-CE2 4.34Å; V319-Y343 HydrophobicContact CG2-CG 4.42Å; V319-V346 HydrophobicContact CG1-CG2 4.02Å
320V97.5Very high93.5Very high5 Ų526.1 Ų26.13%0.0314%0.137CC..Hα-helixtrans-86.7-36.3180177.70000111.5R316 T317 A318 V346 R349 K350 R353R316-V320 VanDerWaalsContact O-CG2 3.29Å; R316-V320 WeakPolarHBondContact O-CG2 3.42Å; R316-V320 PolarHBondContact O-N 2.95Å; T317-V320 PolarHBondContact O-N 3.25Å; A318-V320 VanDerWaalsContact C-N 3.25Å; A318-V320 PolarHBondContact O-N 2.79Å; V320-V346 HydrophobicContact CG2-CB 3.71Å; V320-V346 HydrophobicContact CG2-CG1 4.1Å; V320-V346 HydrophobicContact CG2-CG2 4.08Å; V320-R349 HydrophobicContact CG1-CB 3.99Å; V320-R349 HydrophobicContact CG2-CB 3.77Å; V320-K350 HydrophobicContact CG2-CG 4.39Å; V320-R353 WeakPolarHBondContact O-CD 3.08Å; V320-R353 PolarHBondContact O-NH1 2.65Å
321W97.8Very high93.6Very high2 Ų227.1 Ų27.11%0.00814%0.142CC..Hα-helixtrans-120.4-20.7-161-65105.4000116.1E271 I274 R275 T278 T317 A318 R353 C358 F361E271-W321 WeakPolarHBondContact OE1-CZ2 3.41Å; E271-W321 PolarHBondContact OE1-NE1 3.44Å; I274-W321 HydrophobicContact CG2-CB 3.88Å; I274-W321 HydrophobicContact CG2-CD2 4.18Å; I274-W321 HydrophobicContact CG2-CE3 3.99Å; I274-W321 HydrophobicContact CG2-CG 4.15Å; R275-W321 HydrophobicContact CB-CH2 3.55Å; R275-W321 HydrophobicContact CB-CZ2 3.53Å; R275-W321 HydrophobicContact CB-CZ3 4.16Å; R275-W321 HydrophobicContact CG-CH2 3.52Å; R275-W321 HydrophobicContact CG-CZ2 3.72Å; R275-W321 HydrophobicContact CG-CZ3 4.43Å; T278-W321 VanDerWaalsContact OG1-CZ3 3.29Å; T278-W321 WeakPolarHBondContact OG1-CZ3 3.2Å; T317-W321 WeakPolarHBondContact O-CB 3.14Å; T317-W321 PolarHBondContact O-N 2.75Å; A318-W321 PolarHBondContact O-N 2.87Å; W321-R353 HydrophobicContact CE3-CG 4.25Å; W321-R353 HydrophobicContact CH2-CB 3.91Å; W321-R353 HydrophobicContact CH2-CG 3.79Å; W321-R353 HydrophobicContact CZ2-CB 4.37Å; W321-R353 HydrophobicContact CZ3-CB 4.26Å; W321-R353 HydrophobicContact CZ3-CG 3.62Å; W321-C358 HydrophobicContact CZ3-CB 4.17Å; W321-F361 VanDerWaalsContact O-CB 3.24Å; W321-F361 WeakPolarHBondContact O-CB 3.26Å; W321-F361 WeakPolarHBondContact O-CD2 3.47Å
322L96.8Very high93.5Very high0 Ų033.1 Ų33.10%017%0.17CC..  trans-89.5-1.7-171.9-64.4-176.1000115.3L230 I274 A318 E324 Y325 L326 F330 F361L230-L322 HydrophobicContact CD1-CD1 4.25Å; L230-L322 HydrophobicContact CD2-CD1 4.29Å; L230-L322 HydrophobicContact CD2-CD2 4.34Å; I274-L322 HydrophobicContact CD1-CD2 4.48Å; A318-L322 HydrophobicContact CB-CD1 3.68Å; A318-L322 HydrophobicContact CB-CG 4.24Å; A318-L322 WeakPolarHBondContact O-CB 3.01Å; A318-L322 PolarHBondContact O-N 3.41Å; L322-E324 PolarHBondContact O-N 2.94Å; L322-Y325 WeakPolarHBondContact O-CA 3.18Å; L322-Y325 VanDerWaalsContact O-CB 3.31Å; L322-Y325 WeakPolarHBondContact O-CB 3.29Å; L322-Y325 PolarHBondContact O-N 3.42Å; L322-L326 HydrophobicContact CB-CB 4.42Å; L322-F330 HydrophobicContact CD1-CB 3.75Å; L322-F330 HydrophobicContact CD1-CD2 4.03Å; L322-F330 HydrophobicContact CD1-CG 3.99Å; L322-F361 HydrophobicContact CD2-CD1 3.8Å; L322-F361 HydrophobicContact CD2-CD2 3.85Å; L322-F361 HydrophobicContact CD2-CE1 3.44Å; L322-F361 VanDerWaalsContact CD2-CE1 3.44Å; L322-F361 HydrophobicContact CD2-CE2 3.51Å; L322-F361 HydrophobicContact CD2-CG 4Å; L322-F361 HydrophobicContact CD2-CZ 3.29Å
323D96.7Very high93.2Very high59 Ų5933.6 Ų33.632%0.31617%0.174SC..THydrogen-bonded Turntrans46.9-124.3175.7-59.6-34.7000112.9Y325 L326 R353 P360 F361D323-Y325 PolarHBondContact O-N 3.03Å; D323-L326 WeakPolarHBondContact O-CB 3Å; D323-L326 PolarHBondContact O-N 2.66Å; D323-R353 VanDerWaalsContact CG-NH2 3.34Å; D323-R353 IonicContact OD1-CZ 2.74Å; D323-R353 IonicContact OD1-NH1 2.67Å; D323-R353 PolarHBondContact OD1-NH1 2.05Å; D323-R353 IonicContact OD1-NH2 2.74Å; D323-R353 PolarHBondContact OD1-NH2 3.06Å; D323-R353 VanDerWaalsContact OD1-NH2 3.14Å; D323-R353 IonicContact OD2-CZ 3.34Å; D323-R353 IonicContact OD2-NH1 3.71Å; D323-R353 IonicContact OD2-NH2 3.14Å; D323-R353 PolarHBondContact OD2-NH2 3.44Å; D323-P360 WeakPolarHBondContact OD2-CA 3.04Å; D323-F361 HydrophobicContact CB-CB 4.4Å; D323-F361 PolarHBondContact OD2-N 3.37Å
324E95Very high92.7Very high82 Ų8242.6 Ų42.638%0.38321%0.213SC..THydrogen-bonded Turntrans-65.5-20.3178.965.9-90.8-146.100114.2L322 L326 R362L322-E324 PolarHBondContact O-N 2.94Å; E324-L326 VanDerWaalsContact C-N 3.3Å; E324-L326 PolarHBondContact O-N 2.92Å; E324-R362 IonicContact OE1-CZ 3.16Å; E324-R362 IonicContact OE1-NE 2.89Å; E324-R362 PolarHBondContact OE1-NE 3.44Å; E324-R362 IonicContact OE1-NH2 2.7Å; E324-R362 PolarHBondContact OE1-NH2 2.95Å
325Y94.7Very high92.1Very high37 Ų3746.3 Ų46.315%0.14523%0.23CC..Hα-helixtrans-82.5-8.7-179.2-57.1-93.5000113W228 L322 D323 R329 F330 F361 R362 L365 E373W228-Y325 AromaticContact CH2-CD1 3.5Å; W228-Y325 HydrophobicContact CH2-CD1 3.5Å; W228-Y325 HydrophobicContact CH2-CE1 4.16Å; W228-Y325 HydrophobicContact CH2-CG 4Å; W228-Y325 HydrophobicContact CZ2-CD1 4.39Å; W228-Y325 HydrophobicContact CZ3-CD1 4.08Å; W228-Y325 HydrophobicContact CZ3-CG 4.2Å; L322-Y325 WeakPolarHBondContact O-CA 3.18Å; L322-Y325 VanDerWaalsContact O-CB 3.31Å; L322-Y325 WeakPolarHBondContact O-CB 3.29Å; L322-Y325 PolarHBondContact O-N 3.42Å; D323-Y325 PolarHBondContact O-N 3.03Å; Y325-R329 HydrophobicContact CD1-CG 4Å; Y325-R329 WeakPolarHBondContact O-CB 3.4Å; Y325-R329 PolarHBondContact O-N 2.57Å; Y325-F330 PolarHBondContact O-N 3.42Å; Y325-F330 VanDerWaalsContact O-N 3.14Å; Y325-F361 AromaticContact CD2-CD1 3.68Å; Y325-F361 HydrophobicContact CD2-CD1 3.68Å; Y325-F361 HydrophobicContact CD2-CE1 4.5Å; Y325-F361 HydrophobicContact CE2-CD1 4.24Å; Y325-F361 HydrophobicContact CG-CD1 4.13Å; Y325-R362 HydrophobicContact CE2-CB 4.14Å; Y325-L365 HydrophobicContact CD1-CD1 4.08Å; Y325-L365 HydrophobicContact CD2-CD1 4.25Å; Y325-L365 HydrophobicContact CE1-CD1 3.61Å; Y325-L365 HydrophobicContact CE2-CD1 3.82Å; Y325-L365 HydrophobicContact CG-CD1 4.37Å; Y325-L365 VanDerWaalsContact CZ-CD1 3.46Å; Y325-E373 WeakPolarHBondContact CE1-OE1 3.25Å
326L93.8Very high91.8Very high34 Ų3446.3 Ų46.318%0.17823%0.23CC..Iπ-helixtrans-55.3-54.3174.1173.562.8000111A318 V319 L322 D323 E324 F330 L331A318-L326 HydrophobicContact CB-CD1 3.71Å; V319-L326 HydrophobicContact CG2-CD1 4.3Å; V319-L326 HydrophobicContact CG2-CD2 4.23Å; L322-L326 HydrophobicContact CB-CB 4.42Å; D323-L326 WeakPolarHBondContact O-CB 3Å; D323-L326 PolarHBondContact O-N 2.66Å; E324-L326 VanDerWaalsContact C-N 3.3Å; E324-L326 PolarHBondContact O-N 2.92Å; L326-F330 HydrophobicContact CD1-CD1 4.09Å; L326-F330 WeakPolarHBondContact O-CB 3.41Å; L326-F330 PolarHBondContact O-N 2.87Å; L326-L331 HydrophobicContact CD1-CD1 4.08Å; L326-L331 HydrophobicContact CD1-CG 4.06Å; L326-L331 HydrophobicContact CG-CD1 3.99Å; L326-L331 HydrophobicContact CG-CG 4.37Å; L326-L331 WeakPolarHBondContact O-CB 3.42Å; L326-L331 WeakPolarHBondContact O-CG 3.3Å; L326-L331 PolarHBondContact O-N 3.14Å
327V90.6Very high91.3Very high106 Ų10649.2 Ų49.264%0.64224%0.244SC*.Iπ-helixtrans-81.9-42.8-179.1-179.40000110.7R329 L331V327-R329 VanDerWaalsContact C-N 3.29Å; V327-R329 PolarHBondContact O-N 3.38Å; V327-L331 HydrophobicContact CG2-CD1 4.35Å
328A86.8Confident90.8Very high53 Ų5359.2 Ų59.244%0.43828%0.282SS..Iπ-helixtrans-74.6-11.2-171.600000114.9E332A328-E332 VanDerWaalsContact O-OE1 3.09Å
329R88.7Confident90.2Very high94 Ų9463 Ų6336%0.35530%0.299SS..Iπ-helixtrans-140.6-53.2-179.6-61.2-69.1-161.3167.96112.7W228 Y325 V327 E373W228-R329 HydrophobicContact CD2-CB 3.65Å; W228-R329 HydrophobicContact CD2-CG 3.95Å; W228-R329 HydrophobicContact CE3-CB 3.31Å; W228-R329 HydrophobicContact CE3-CG 3.82Å; W228-R329 HydrophobicContact CG-CB 4.31Å; W228-R329 HydrophobicContact CH2-CB 4.16Å; W228-R329 HydrophobicContact CH2-CG 3.72Å; W228-R329 HydrophobicContact CZ2-CB 4.44Å; W228-R329 HydrophobicContact CZ2-CG 3.86Å; W228-R329 HydrophobicContact CZ3-CB 3.6Å; W228-R329 HydrophobicContact CZ3-CG 3.71Å; Y325-R329 HydrophobicContact CD1-CG 4Å; Y325-R329 WeakPolarHBondContact O-CB 3.4Å; Y325-R329 PolarHBondContact O-N 2.57Å; V327-R329 VanDerWaalsContact C-N 3.29Å; V327-R329 PolarHBondContact O-N 3.38Å; R329-E373 IonicContact CZ-OE2 3.74Å; R329-E373 IonicContact NH2-OE2 2.71Å; R329-E373 PolarHBondContact NH2-OE2 2.86Å
330F90.1Very high89.7Confident1 Ų165.4 Ų65.40%0.00431%0.307CS..Iπ-helixtrans-72.2-46.6-171.7-178.7-93.6000112.7W228 L230 N314 I315 A318 L322 Y325 L326 E332 N333 Y336W228-F330 VanDerWaalsContact O-CD2 3.3Å; W228-F330 WeakPolarHBondContact O-CD2 3.31Å; L230-F330 HydrophobicContact CB-CE2 4.44Å; L230-F330 HydrophobicContact CD1-CD2 4.11Å; L230-F330 HydrophobicContact CD1-CE2 3.75Å; L230-F330 HydrophobicContact CD1-CZ 4.5Å; L230-F330 HydrophobicContact CG-CD2 3.99Å; L230-F330 HydrophobicContact CG-CE2 3.8Å; N314-F330 HydrophobicContact CB-CE2 4.28Å; N314-F330 HydrophobicContact CB-CZ 4.11Å; I315-F330 HydrophobicContact CB-CE1 4.43Å; I315-F330 HydrophobicContact CG1-CE1 3.86Å; I315-F330 HydrophobicContact CG1-CZ 4.07Å; A318-F330 HydrophobicContact CB-CD1 3.52Å; A318-F330 HydrophobicContact CB-CD2 4.07Å; A318-F330 HydrophobicContact CB-CE1 3.53Å; A318-F330 HydrophobicContact CB-CE2 4.1Å; A318-F330 HydrophobicContact CB-CG 3.8Å; A318-F330 HydrophobicContact CB-CZ 3.84Å; L322-F330 HydrophobicContact CD1-CB 3.75Å; L322-F330 HydrophobicContact CD1-CD2 4.03Å; L322-F330 HydrophobicContact CD1-CG 3.99Å; Y325-F330 PolarHBondContact O-N 3.42Å; Y325-F330 VanDerWaalsContact O-N 3.14Å; L326-F330 HydrophobicContact CD1-CD1 4.09Å; L326-F330 WeakPolarHBondContact O-CB 3.41Å; L326-F330 PolarHBondContact O-N 2.87Å; F330-E332 VanDerWaalsContact C-N 3.29Å; F330-E332 PolarHBondContact O-N 2.71Å; F330-N333 PolarHBondContact O-N 2.89Å; F330-Y336 HydrophobicContact CD1-CG 4.47Å; F330-Y336 AromaticContact CE1-CD1 3.87Å; F330-Y336 HydrophobicContact CE1-CD1 3.87Å; F330-Y336 HydrophobicContact CE1-CD2 4.28Å; F330-Y336 AromaticContact CE1-CG 3.7Å; F330-Y336 HydrophobicContact CE1-CG 3.7Å; F330-Y336 HydrophobicContact CE2-CD1 4.27Å; F330-Y336 HydrophobicContact CE2-CD2 4.08Å; F330-Y336 HydrophobicContact CE2-CE1 4.27Å; F330-Y336 HydrophobicContact CE2-CE2 4.14Å; F330-Y336 HydrophobicContact CE2-CG 4.2Å; F330-Y336 AromaticContact CZ-CD1 3.43Å; F330-Y336 HydrophobicContact CZ-CD1 3.43Å; F330-Y336 VanDerWaalsContact CZ-CD1 3.43Å; F330-Y336 AromaticContact CZ-CD2 3.9Å; F330-Y336 HydrophobicContact CZ-CD2 3.9Å; F330-Y336 AromaticContact CZ-CE1 3.73Å; F330-Y336 HydrophobicContact CZ-CE1 3.73Å; F330-Y336 HydrophobicContact CZ-CE2 4.22Å; F330-Y336 AromaticContact CZ-CG 3.54Å; F330-Y336 HydrophobicContact CZ-CG 3.54Å
331L89.2Confident89.1Confident28 Ų2872.4 Ų72.415%0.14734%0.339CS..THydrogen-bonded Turntrans-81.7-0.7179-61.9177.6000113.9L326 V327 N333 E337 K340L326-L331 HydrophobicContact CD1-CD1 4.08Å; L326-L331 HydrophobicContact CD1-CG 4.06Å; L326-L331 HydrophobicContact CG-CD1 3.99Å; L326-L331 HydrophobicContact CG-CG 4.37Å; L326-L331 WeakPolarHBondContact O-CB 3.42Å; L326-L331 WeakPolarHBondContact O-CG 3.3Å; L326-L331 PolarHBondContact O-N 3.14Å; V327-L331 HydrophobicContact CG2-CD1 4.35Å; L331-N333 PolarHBondContact O-N 2.75Å; L331-E337 WeakPolarHBondContact O-CB 3.47Å; L331-K340 HydrophobicContact CD2-CB 4.13Å
332E86.2Confident88.6Confident133 Ų13374.6 Ų74.662%0.62136%0.355SS*.THydrogen-bonded Turntrans-64.4-25.7167.1-61.6-169.9141.500111.3A328 F330 K334A328-E332 VanDerWaalsContact O-OE1 3.09Å; F330-E332 VanDerWaalsContact C-N 3.29Å; F330-E332 PolarHBondContact O-N 2.71Å; E332-K334 PolarHBondContact O-N 2.86Å
333N85Confident88.3Confident35 Ų3577 Ų7719%0.18736%0.364CS..SBendtrans-73.5114.5171.2178.4-12000110.6K229 F330 L331 E335 Y336 E337K229-N333 WeakPolarHBondContact CD-ND2 3.08Å; K229-N333 WeakPolarHBondContact CE-ND2 3.37Å; F330-N333 PolarHBondContact O-N 2.89Å; L331-N333 PolarHBondContact O-N 2.75Å; N333-E335 PolarHBondContact O-N 2.94Å; N333-E335 VanDerWaalsContact O-N 3.08Å; N333-E335 WeakPolarHBondContact OD1-CB 3.41Å; N333-E335 PolarHBondContact OD1-N 3.17Å; N333-Y336 HydrophobicContact CB-CD2 3.83Å; N333-Y336 WeakPolarHBondContact ND2-CD2 3.43Å; N333-Y336 VanDerWaalsContact ND2-CE2 3.34Å; N333-Y336 WeakPolarHBondContact ND2-CE2 3.49Å; N333-Y336 PolarHBondContact O-N 2.99Å; N333-Y336 VanDerWaalsContact O-N 3.08Å; N333-E337 PolarHBondContact O-N 2.99Å
334K84.2Confident88Confident188 Ų18876.1 Ų76.182%0.81737%0.369SS*.Hα-helixtrans-52.4-31.5-179.6-65.1-174.1178.5-179.10114.4E332 R338E332-K334 PolarHBondContact O-N 2.86Å; K334-R338 PolarHBondContact O-N 2.93Å
335E82.9Confident88Confident81 Ų8177.9 Ų77.938%0.37938%0.381SS..Hα-helixtrans-64.9-54.6176.8-171.2-168.5153.200110.7T311 N333 E337 R338 F339T311-E335 PolarHBondContact OG1-OE1 3.46Å; N333-E335 PolarHBondContact O-N 2.94Å; N333-E335 VanDerWaalsContact O-N 3.08Å; N333-E335 WeakPolarHBondContact OD1-CB 3.41Å; N333-E335 PolarHBondContact OD1-N 3.17Å; E335-E337 VanDerWaalsContact C-N 3.3Å; E335-E337 PolarHBondContact O-N 2.59Å; E335-R338 WeakPolarHBondContact O-CB 3.49Å; E335-R338 PolarHBondContact O-N 3.17Å; E335-F339 HydrophobicContact CG-CD2 4.48Å; E335-F339 VanDerWaalsContact O-CD2 3.22Å; E335-F339 WeakPolarHBondContact O-CD2 3.45Å; E335-F339 PolarHBondContact O-N 3.37Å
336Y86.5Confident88.1Confident2 Ų276.5 Ų76.51%0.00838%0.376CS..Hα-helixtrans-65.2-36.2-179.6-67.4-63.8000112.1K229 T311 N314 I315 F330 N333 R338 F339 K340K229-Y336 HydrophobicContact CB-CE2 3.69Å; K229-Y336 HydrophobicContact CD-CE2 4.38Å; K229-Y336 HydrophobicContact CG-CE2 3.94Å; K229-Y336 PolarHBondContact O-OH 3.42Å; K229-Y336 VanDerWaalsContact O-OH 3.11Å; T311-Y336 HydrophobicContact CG2-CD1 3.68Å; T311-Y336 HydrophobicContact CG2-CE1 3.64Å; N314-Y336 HydrophobicContact CB-CE1 4.1Å; I315-Y336 HydrophobicContact CD1-CD1 4.11Å; I315-Y336 HydrophobicContact CG1-CD1 3.74Å; F330-Y336 HydrophobicContact CD1-CG 4.47Å; F330-Y336 AromaticContact CE1-CD1 3.87Å; F330-Y336 HydrophobicContact CE1-CD1 3.87Å; F330-Y336 HydrophobicContact CE1-CD2 4.28Å; F330-Y336 AromaticContact CE1-CG 3.7Å; F330-Y336 HydrophobicContact CE1-CG 3.7Å; F330-Y336 HydrophobicContact CE2-CD1 4.27Å; F330-Y336 HydrophobicContact CE2-CD2 4.08Å; F330-Y336 HydrophobicContact CE2-CE1 4.27Å; F330-Y336 HydrophobicContact CE2-CE2 4.14Å; F330-Y336 HydrophobicContact CE2-CG 4.2Å; F330-Y336 AromaticContact CZ-CD1 3.43Å; F330-Y336 HydrophobicContact CZ-CD1 3.43Å; F330-Y336 VanDerWaalsContact CZ-CD1 3.43Å; F330-Y336 AromaticContact CZ-CD2 3.9Å; F330-Y336 HydrophobicContact CZ-CD2 3.9Å; F330-Y336 AromaticContact CZ-CE1 3.73Å; F330-Y336 HydrophobicContact CZ-CE1 3.73Å; F330-Y336 HydrophobicContact CZ-CE2 4.22Å; F330-Y336 AromaticContact CZ-CG 3.54Å; F330-Y336 HydrophobicContact CZ-CG 3.54Å; N333-Y336 HydrophobicContact CB-CD2 3.83Å; N333-Y336 WeakPolarHBondContact ND2-CD2 3.43Å; N333-Y336 VanDerWaalsContact ND2-CE2 3.34Å; N333-Y336 WeakPolarHBondContact ND2-CE2 3.49Å; N333-Y336 PolarHBondContact O-N 2.99Å; N333-Y336 VanDerWaalsContact O-N 3.08Å; Y336-R338 VanDerWaalsContact C-N 3.32Å; Y336-R338 PolarHBondContact O-N 2.84Å; Y336-F339 CarbonylContact O-C 3.58Å; Y336-F339 PolarHBondContact O-N 3.11Å; Y336-F339 VanDerWaalsContact O-N 3.08Å; Y336-K340 PolarHBondContact O-N 2.76Å
337E85.7Confident88.3Confident69 Ų6978.4 Ų78.432%0.32239%0.392SS..Hα-helixtrans-63.4-38.7177.617952.8-172.300112.7L331 N333 E335 F339 K340L331-E337 WeakPolarHBondContact O-CB 3.47Å; N333-E337 PolarHBondContact O-N 2.99Å; E335-E337 VanDerWaalsContact C-N 3.3Å; E335-E337 PolarHBondContact O-N 2.59Å; E337-F339 PolarHBondContact O-N 2.82Å; E337-K340 WeakPolarHBondContact O-CB 3.47Å; E337-K340 WeakPolarHBondContact O-CG 3.44Å; E337-K340 PolarHBondContact O-N 2.87Å; E337-K340 WeakPolarHBondContact OE1-CE 3.2Å; E337-K340 IonicContact OE1-NZ 2.74Å; E337-K340 PolarHBondContact OE1-NZ 2.85Å; E337-K340 WeakPolarHBondContact OE2-CD 3.17Å; E337-K340 IonicContact OE2-NZ 2.74Å
338R86Confident88.6Confident211 Ų21181.9 Ų81.980%0.79640%0.399SS*.Hα-helixtrans-61-33174.3-173.8178.4-178.51780.8112.3K334 E335 Y336K334-R338 PolarHBondContact O-N 2.93Å; E335-R338 WeakPolarHBondContact O-CB 3.49Å; E335-R338 PolarHBondContact O-N 3.17Å; Y336-R338 VanDerWaalsContact C-N 3.32Å; Y336-R338 PolarHBondContact O-N 2.84Å
339F84.1Confident89Confident79 Ų7980.6 Ų80.635%0.34638%0.383SS..THydrogen-bonded Turntrans-101.710.9-176.8-68.1-72.6000113.8T311 I315 E335 Y336 E337 H341 S342T311-F339 HydrophobicContact CG2-CD2 4.29Å; I315-F339 HydrophobicContact CD1-CB 3.65Å; I315-F339 WeakPolarHBondContact CD1-O 3.44Å; E335-F339 HydrophobicContact CG-CD2 4.48Å; E335-F339 VanDerWaalsContact O-CD2 3.22Å; E335-F339 WeakPolarHBondContact O-CD2 3.45Å; E335-F339 PolarHBondContact O-N 3.37Å; Y336-F339 CarbonylContact O-C 3.58Å; Y336-F339 PolarHBondContact O-N 3.11Å; Y336-F339 VanDerWaalsContact O-N 3.08Å; E337-F339 PolarHBondContact O-N 2.82Å; F339-H341 PolarHBondContact O-N 3.26Å; F339-S342 VanDerWaalsContact O-CB 3.29Å; F339-S342 WeakPolarHBondContact O-CB 3.49Å; F339-S342 PolarHBondContact O-N 2.89Å; F339-S342 PolarHBondContact O-OG 3.12Å
340K84.9Confident89.4Confident75 Ų7581.2 Ų81.233%0.32639%0.388SS..THydrogen-bonded Turntrans-56.6-16.6-171.370.2168.5160.6-1610116.1L331 Y336 E337 Y343L331-K340 HydrophobicContact CD2-CB 4.13Å; Y336-K340 PolarHBondContact O-N 2.76Å; E337-K340 WeakPolarHBondContact O-CB 3.47Å; E337-K340 WeakPolarHBondContact O-CG 3.44Å; E337-K340 PolarHBondContact O-N 2.87Å; E337-K340 WeakPolarHBondContact OE1-CE 3.2Å; E337-K340 IonicContact OE1-NZ 2.74Å; E337-K340 PolarHBondContact OE1-NZ 2.85Å; E337-K340 WeakPolarHBondContact OE2-CD 3.17Å; E337-K340 IonicContact OE2-NZ 2.74Å; K340-Y343 WeakPolarHBondContact O-CD1 3.41Å; K340-Y343 WeakPolarHBondContact O-CE1 3.25Å
341H86.3Confident89.8Confident152 Ų15283.9 Ų83.970%0.70441%0.41SS*.THydrogen-bonded Turntrans-109.43.2177.9-61.9-52.9000113.7F339 Y343F339-H341 PolarHBondContact O-N 3.26Å; H341-Y343 VanDerWaalsContact C-N 3.3Å; H341-Y343 PolarHBondContact O-N 3.28Å
342S85.7Confident90.1Very high48 Ų4883.1 Ų83.134%0.33641%0.406SS..THydrogen-bonded Turntrans-79.2-11.1-177.668.70000114R312 F339 G344R312-S342 PolarHBondContact NE-O 3.22Å; F339-S342 VanDerWaalsContact O-CB 3.29Å; F339-S342 WeakPolarHBondContact O-CB 3.49Å; F339-S342 PolarHBondContact O-N 2.89Å; F339-S342 PolarHBondContact O-OG 3.12Å; S342-G344 VanDerWaalsContact C-N 3.28Å; S342-G344 PolarHBondContact O-N 3.18Å
343Y90.2Very high90.6Very high50 Ų5078.4 Ų78.420%0.19638%0.383CS..THydrogen-bonded Turntrans-75.5-11.4-168.470.7-99.1000114.1R312 I315 R316 V319 K340 H341 V346R312-Y343 PolarHBondContact NH2-O 2.79Å; I315-Y343 HydrophobicContact CG2-CD1 3.51Å; I315-Y343 HydrophobicContact CG2-CE1 4.46Å; I315-Y343 HydrophobicContact CG2-CG 3.91Å; R316-Y343 WeakPolarHBondContact CD-O 3.42Å; R316-Y343 HydrophobicContact CG-CD2 4.45Å; R316-Y343 VanDerWaalsContact CG-O 3.29Å; R316-Y343 WeakPolarHBondContact CG-O 3.38Å; R316-Y343 PolarHBondContact NH1-O 2.74Å; V319-Y343 HydrophobicContact CB-CE2 4.36Å; V319-Y343 HydrophobicContact CG1-CE1 4.44Å; V319-Y343 HydrophobicContact CG1-CE2 3.95Å; V319-Y343 HydrophobicContact CG2-CD1 3.98Å; V319-Y343 HydrophobicContact CG2-CE1 3.68Å; V319-Y343 HydrophobicContact CG2-CE2 4.34Å; V319-Y343 HydrophobicContact CG2-CG 4.42Å; K340-Y343 WeakPolarHBondContact O-CD1 3.41Å; K340-Y343 WeakPolarHBondContact O-CE1 3.25Å; H341-Y343 VanDerWaalsContact C-N 3.3Å; H341-Y343 PolarHBondContact O-N 3.28Å; Y343-V346 HydrophobicContact CD2-CG1 3.61Å; Y343-V346 HydrophobicContact CD2-CG2 4.43Å; Y343-V346 HydrophobicContact CE2-CB 4.47Å; Y343-V346 HydrophobicContact CE2-CG1 3.88Å; Y343-V346 HydrophobicContact CE2-CG2 3.83Å
344G92Very high91.1Very high40 Ų4085 Ų8541%0.41241%0.41SS..  trans70.6-159.9178.100000114.2S342S342-G344 VanDerWaalsContact C-N 3.28Å; S342-G344 PolarHBondContact O-N 3.18Å
345N95Very high91.6Very high120 Ų12084.2 Ų84.264%0.64240%0.402SS*.  trans-78.8126.7-175.9-169-17.5000112R316 S347R316-N345 PolarHBondContact NH1-O 2.73Å; R316-N345 PolarHBondContact NH2-O 3.24Å; R316-N345 VanDerWaalsContact NH2-O 3.08Å; N345-S347 WeakPolarHBondContact OD1-CB 3.44Å; N345-S347 PolarHBondContact OD1-N 3.45Å; N345-S347 PolarHBondContact OD1-OG 2.82Å
346V96.7Very high92.1Very high8 Ų880.7 Ų80.75%0.04839%0.386CS..  trans-117.810.6176.9-630000113.2R316 V319 V320 Y343 K348 R349 K350R316-V346 HydrophobicContact CB-CG1 4.3Å; R316-V346 HydrophobicContact CG-CG1 4.23Å; V319-V346 HydrophobicContact CG1-CG2 4.02Å; V320-V346 HydrophobicContact CG2-CB 3.71Å; V320-V346 HydrophobicContact CG2-CG1 4.1Å; V320-V346 HydrophobicContact CG2-CG2 4.08Å; Y343-V346 HydrophobicContact CD2-CG1 3.61Å; Y343-V346 HydrophobicContact CD2-CG2 4.43Å; Y343-V346 HydrophobicContact CE2-CB 4.47Å; Y343-V346 HydrophobicContact CE2-CG1 3.88Å; Y343-V346 HydrophobicContact CE2-CG2 3.83Å; V346-K348 VanDerWaalsContact C-N 3.27Å; V346-K348 PolarHBondContact O-N 3.27Å; V346-R349 WeakPolarHBondContact O-CA 3.25Å; V346-R349 WeakPolarHBondContact O-CB 3.41Å; V346-R349 PolarHBondContact O-N 2.66Å; V346-K350 HydrophobicContact CG2-CD 4.28Å; V346-K350 HydrophobicContact CG2-CG 4.35Å; V346-K350 PolarHBondContact O-N 2.86Å
347S97.4Very high92.5Very high73 Ų7388.2 Ų88.251%0.5142%0.42SS..Hα-helixtrans-57.5-39-174.2-54.40000112.5N345 R349 K350 A351N345-S347 WeakPolarHBondContact OD1-CB 3.44Å; N345-S347 PolarHBondContact OD1-N 3.45Å; N345-S347 PolarHBondContact OD1-OG 2.82Å; S347-R349 VanDerWaalsContact C-N 3.32Å; S347-R349 PolarHBondContact O-N 2.8Å; S347-K350 PolarHBondContact O-N 2.84Å; S347-A351 WeakPolarHBondContact O-CB 3.44Å; S347-A351 PolarHBondContact O-N 2.71Å
348K96Very high93Very high179 Ų17985.9 Ų85.978%0.77841%0.412SS*.Hα-helixtrans-63-35.9175.2-68.4-173.6177.9-177.20112.7V346 L352V346-K348 VanDerWaalsContact C-N 3.27Å; V346-K348 PolarHBondContact O-N 3.27Å; K348-L352 WeakPolarHBondContact O-CB 3.49Å; K348-L352 PolarHBondContact O-N 3.08Å
349R97Very high93.5Very high27 Ų2780.6 Ų80.610%0.10239%0.392CS..Hα-helixtrans-74.4-41.4178.9-60.5-65.5144.2-170.5-5.3111.5D257 Y258 D259 V320 V346 S347 A351 L352 R353D257-R349 PolarHBondContact O-NH1 3.23Å; Y258-R349 PolarHBondContact O-NH2 3.39Å; D259-R349 VanDerWaalsContact CA-CZ 3.49Å; D259-R349 HydrophobicContact CB-CG 4.34Å; D259-R349 IonicContact OD1-CZ 3.65Å; D259-R349 IonicContact OD1-NE 3.66Å; D259-R349 PolarHBondContact OD1-NE 3.09Å; D259-R349 IonicContact OD1-NH2 3.67Å; V320-R349 HydrophobicContact CG1-CB 3.99Å; V320-R349 HydrophobicContact CG2-CB 3.77Å; V346-R349 WeakPolarHBondContact O-CA 3.25Å; V346-R349 WeakPolarHBondContact O-CB 3.41Å; V346-R349 PolarHBondContact O-N 2.66Å; S347-R349 VanDerWaalsContact C-N 3.32Å; S347-R349 PolarHBondContact O-N 2.8Å; R349-A351 VanDerWaalsContact C-N 3.34Å; R349-A351 PolarHBondContact O-N 2.67Å; R349-L352 WeakPolarHBondContact O-CB 3.41Å; R349-L352 PolarHBondContact O-N 3.11Å; R349-R353 PolarHBondContact O-N 3.37Å
350K97.3Very high94.2Very high106 Ų10680.1 Ų80.146%0.46140%0.396SS..Hα-helixtrans-60.8-42170.9-67.5-172.2173.5-172.50112.1V320 V346 S347 R353 K354V320-K350 HydrophobicContact CG2-CG 4.39Å; V346-K350 HydrophobicContact CG2-CD 4.28Å; V346-K350 HydrophobicContact CG2-CG 4.35Å; V346-K350 PolarHBondContact O-N 2.86Å; S347-K350 PolarHBondContact O-N 2.84Å; K350-R353 PolarHBondContact O-N 2.97Å; K350-K354 PolarHBondContact O-N 3.12Å
351A96.7Very high94.7Very high58 Ų5876.5 Ų76.548%0.47938%0.381SS..Hα-helixtrans-64.9-41.4175.700000112.5S347 R349 K354 R355S347-A351 WeakPolarHBondContact O-CB 3.44Å; S347-A351 PolarHBondContact O-N 2.71Å; R349-A351 VanDerWaalsContact C-N 3.34Å; R349-A351 PolarHBondContact O-N 2.67Å; A351-K354 PolarHBondContact O-N 2.88Å; A351-R355 WeakPolarHBondContact O-CB 3.11Å; A351-R355 PolarHBondContact O-N 2.93Å
352L95.8Very high95.2Very high11 Ų1175 Ų756%0.05837%0.369CS..Hα-helixtrans-58.9-50.7173.5178.264.7000111.2K348 R349 K354 R355 L356K348-L352 WeakPolarHBondContact O-CB 3.49Å; K348-L352 PolarHBondContact O-N 3.08Å; R349-L352 WeakPolarHBondContact O-CB 3.41Å; R349-L352 PolarHBondContact O-N 3.11Å; L352-K354 VanDerWaalsContact C-N 3.29Å; L352-K354 PolarHBondContact O-N 3.37Å; L352-R355 VanDerWaalsContact CD1-NH2 3.31Å; L352-R355 PolarHBondContact O-N 3.03Å; L352-R355 VanDerWaalsContact O-N 3.16Å; L352-L356 HydrophobicContact CD1-CD1 3.79Å; L352-L356 HydrophobicContact CD1-CG 4.11Å; L352-L356 HydrophobicContact CG-CD1 3.96Å; L352-L356 WeakPolarHBondContact O-CB 3.4Å; L352-L356 WeakPolarHBondContact O-CG 3.49Å; L352-L356 PolarHBondContact O-N 3Å
353R96.6Very high95.7Very high34 Ų3474.6 Ų74.613%0.12836%0.36CS..Hα-helixtrans-55.7-43.3177.2-176.4176.9-179.7-157.4-4.8112V320 W321 D323 R349 K350 H357 C358 R359V320-R353 WeakPolarHBondContact O-CD 3.08Å; V320-R353 PolarHBondContact O-NH1 2.65Å; W321-R353 HydrophobicContact CE3-CG 4.25Å; W321-R353 HydrophobicContact CH2-CB 3.91Å; W321-R353 HydrophobicContact CH2-CG 3.79Å; W321-R353 HydrophobicContact CZ2-CB 4.37Å; W321-R353 HydrophobicContact CZ3-CB 4.26Å; W321-R353 HydrophobicContact CZ3-CG 3.62Å; D323-R353 VanDerWaalsContact CG-NH2 3.34Å; D323-R353 IonicContact OD1-CZ 2.74Å; D323-R353 IonicContact OD1-NH1 2.67Å; D323-R353 PolarHBondContact OD1-NH1 2.05Å; D323-R353 IonicContact OD1-NH2 2.74Å; D323-R353 PolarHBondContact OD1-NH2 3.06Å; D323-R353 VanDerWaalsContact OD1-NH2 3.14Å; D323-R353 IonicContact OD2-CZ 3.34Å; D323-R353 IonicContact OD2-NH1 3.71Å; D323-R353 IonicContact OD2-NH2 3.14Å; D323-R353 PolarHBondContact OD2-NH2 3.44Å; R349-R353 PolarHBondContact O-N 3.37Å; K350-R353 PolarHBondContact O-N 2.97Å; R353-H357 PolarHBondContact O-N 3.32Å; R353-C358 HydrophobicContact CG-CB 4.01Å; R353-C358 PolarHBondContact O-N 3.47Å; R353-C358 PolarHBondContact O-SG 2.74Å; R353-R359 PolarHBondContact NH2-O 3.03Å
354K95.9Very high95.8Very high174 Ų17472.8 Ų72.876%0.75735%0.353SS*.Hα-helixtrans-65.2-45.2176.4-172.8178.4-179-179.60112.1K350 A351 L352 L356 H357K350-K354 PolarHBondContact O-N 3.12Å; A351-K354 PolarHBondContact O-N 2.88Å; L352-K354 VanDerWaalsContact C-N 3.29Å; L352-K354 PolarHBondContact O-N 3.37Å; K354-L356 VanDerWaalsContact C-N 3.29Å; K354-L356 PolarHBondContact O-N 3.13Å; K354-H357 PolarHBondContact O-N 3.45Å
355R94.9Very high95.8Very high172 Ų17271 Ų7165%0.64933%0.334SS*.Hα-helixtrans-63.2-34.4-179.8-178.3175.866.8178.73.5112.6A351 L352 H357A351-R355 WeakPolarHBondContact O-CB 3.11Å; A351-R355 PolarHBondContact O-N 2.93Å; L352-R355 VanDerWaalsContact CD1-NH2 3.31Å; L352-R355 PolarHBondContact O-N 3.03Å; L352-R355 VanDerWaalsContact O-N 3.16Å; R355-H357 VanDerWaalsContact C-N 3.28Å; R355-H357 PolarHBondContact O-CD2 2.93Å
356L93.8Very high95.5Very high7 Ų771.4 Ų71.44%0.03733%0.332CS..THydrogen-bonded Turntrans-83.90.1179.1-70.3178.2000113.8H254 L255 C279 L352 K354 C358H254-L356 HydrophobicContact CB-CD2 4.13Å; H254-L356 WeakPolarHBondContact O-CD2 3.32Å; L255-L356 HydrophobicContact CD1-CD1 4.15Å; C279-L356 HydrophobicContact CB-CB 4.37Å; L352-L356 HydrophobicContact CD1-CD1 3.79Å; L352-L356 HydrophobicContact CD1-CG 4.11Å; L352-L356 HydrophobicContact CG-CD1 3.96Å; L352-L356 WeakPolarHBondContact O-CB 3.4Å; L352-L356 WeakPolarHBondContact O-CG 3.49Å; L352-L356 PolarHBondContact O-N 3Å; K354-L356 VanDerWaalsContact C-N 3.29Å; K354-L356 PolarHBondContact O-N 3.13Å; L356-C358 WeakPolarHBondContact CB-SG 3.5Å; L356-C358 PolarHBondContact O-N 2.96Å
357H94.5Very high95.1Very high159 Ų15974.3 Ų74.374%0.73635%0.347SS*.THydrogen-bonded Turntrans52.539.7-179.1-57.2-76.1000113.2R353 K354 R355R353-H357 PolarHBondContact O-N 3.32Å; K354-H357 PolarHBondContact O-N 3.45Å; R355-H357 VanDerWaalsContact C-N 3.28Å; R355-H357 PolarHBondContact O-CD2 2.93Å
358C96.5Very high94.6Very high21 Ų2172.9 Ų72.914%0.14233%0.334CS..PPolyproline II helixtrans-70.1145-175.7-44.50000111.7T278 C279 W321 R353 L356T278-C358 CarbonylContact O-C 3.56Å; T278-C358 WeakPolarHBondContact O-CA 3.38Å; C279-C358 HydrophobicContact CB-CB 3.99Å; C279-C358 WeakPolarHBondContact CB-SG 3.41Å; C279-C358 WeakPolarHBondContact SG-CB 3.5Å; C279-C358 CovalentContact SG-SG 2.03Å; C279-C358 PolarHBondContact SG-SG 3.07Å; W321-C358 HydrophobicContact CZ3-CB 4.17Å; R353-C358 HydrophobicContact CG-CB 4.01Å; R353-C358 PolarHBondContact O-N 3.47Å; R353-C358 PolarHBondContact O-SG 2.74Å; L356-C358 WeakPolarHBondContact CB-SG 3.5Å; L356-C358 PolarHBondContact O-N 2.96Å
359R96.7Very high94.3Very high100 Ų10064.9 Ų64.938%0.37730%0.299SS..PPolyproline II helixtrans-66.7156.7178.8-63.6177.9-177166.31.2111.5T278 R353 W363T278-R359 WeakPolarHBondContact O-CB 3.12Å; T278-R359 PolarHBondContact O-N 3.26Å; R353-R359 PolarHBondContact NH2-O 3.03Å; R359-W363 HydrophobicContact CB-CB 4.01Å; R359-W363 HydrophobicContact CB-CD2 4.01Å; R359-W363 HydrophobicContact CB-CE3 3.97Å; R359-W363 HydrophobicContact CB-CG 3.99Å; R359-W363 HydrophobicContact CG-CD2 4.27Å; R359-W363 HydrophobicContact CG-CE3 4.43Å; R359-W363 HydrophobicContact CG-CG 4.39Å
360P97.5Very high93.8Very high68 Ų6866.4 Ų66.444%0.44231%0.312SS..PPolyproline II helixtrans-64.4157173.927.5-35.1000111.5D323 R362 W363D323-P360 WeakPolarHBondContact OD2-CA 3.04Å; P360-R362 PolarHBondContact O-N 2.76Å; P360-W363 HydrophobicContact CG-CB 4.29Å; P360-W363 VanDerWaalsContact O-CB 3.31Å; P360-W363 WeakPolarHBondContact O-CB 3.4Å; P360-W363 PolarHBondContact O-N 3.03Å
361F97.2Very high93.1Very high0 Ų064.5 Ų64.50%030%0.304CS..Hα-helixtrans-59.5-35.1179.1-166.5-114.9000112.9M226 W228 I274 W321 L322 D323 Y325 W363 F364 L365 L372M226-F361 HydrophobicContact CE-CE2 4.08Å; M226-F361 HydrophobicContact CE-CZ 3.75Å; W228-F361 HydrophobicContact CH2-CE1 4.21Å; W228-F361 HydrophobicContact CZ3-CE1 4.06Å; I274-F361 HydrophobicContact CD1-CE2 3.97Å; I274-F361 HydrophobicContact CG1-CE2 4.16Å; I274-F361 HydrophobicContact CG2-CD2 3.98Å; I274-F361 HydrophobicContact CG2-CE2 4.07Å; W321-F361 VanDerWaalsContact O-CB 3.24Å; W321-F361 WeakPolarHBondContact O-CB 3.26Å; W321-F361 WeakPolarHBondContact O-CD2 3.47Å; L322-F361 HydrophobicContact CD2-CD1 3.8Å; L322-F361 HydrophobicContact CD2-CD2 3.85Å; L322-F361 HydrophobicContact CD2-CE1 3.44Å; L322-F361 VanDerWaalsContact CD2-CE1 3.44Å; L322-F361 HydrophobicContact CD2-CE2 3.51Å; L322-F361 HydrophobicContact CD2-CG 4Å; L322-F361 HydrophobicContact CD2-CZ 3.29Å; D323-F361 HydrophobicContact CB-CB 4.4Å; D323-F361 PolarHBondContact OD2-N 3.37Å; Y325-F361 AromaticContact CD2-CD1 3.68Å; Y325-F361 HydrophobicContact CD2-CD1 3.68Å; Y325-F361 HydrophobicContact CD2-CE1 4.5Å; Y325-F361 HydrophobicContact CE2-CD1 4.24Å; Y325-F361 HydrophobicContact CG-CD1 4.13Å; F361-W363 PolarHBondContact O-N 3.34Å; F361-F364 HydrophobicContact CD2-CB 4.34Å; F361-F364 HydrophobicContact CD2-CD1 4.26Å; F361-F364 AromaticContact CE2-CD1 3.63Å; F361-F364 HydrophobicContact CE2-CD1 3.63Å; F361-F364 HydrophobicContact CE2-CE1 4.2Å; F361-F364 HydrophobicContact CE2-CG 4.3Å; F361-F364 HydrophobicContact CZ-CD1 4.05Å; F361-F364 HydrophobicContact CZ-CE1 4.48Å; F361-F364 WeakPolarHBondContact O-CA 3.05Å; F361-F364 VanDerWaalsContact O-CB 3.27Å; F361-F364 WeakPolarHBondContact O-CB 3.12Å; F361-F364 PolarHBondContact O-N 2.86Å; F361-L365 HydrophobicContact CD1-CD1 3.86Å; F361-L365 HydrophobicContact CD1-CD2 4.49Å; F361-L365 HydrophobicContact CD1-CG 4.01Å; F361-L365 HydrophobicContact CE1-CD1 3.71Å; F361-L365 HydrophobicContact CE1-CD2 3.69Å; F361-L365 HydrophobicContact CE1-CG 3.69Å; F361-L365 HydrophobicContact CZ-CD2 3.91Å; F361-L365 HydrophobicContact CZ-CG 4.22Å; F361-L365 PolarHBondContact O-N 3.46Å; F361-L372 HydrophobicContact CZ-CD2 4.48Å
362R95.7Very high92.7Very high119 Ų11962 Ų6245%0.44928%0.283SS..Hα-helixtrans-50.4-43172.7-174.6179.2-58.8-176.2-2.1112.3E324 Y325 P360 F364 L365 E366E324-R362 IonicContact OE1-CZ 3.16Å; E324-R362 IonicContact OE1-NE 2.89Å; E324-R362 PolarHBondContact OE1-NE 3.44Å; E324-R362 IonicContact OE1-NH2 2.7Å; E324-R362 PolarHBondContact OE1-NH2 2.95Å; Y325-R362 HydrophobicContact CE2-CB 4.14Å; P360-R362 PolarHBondContact O-N 2.76Å; R362-F364 VanDerWaalsContact C-N 3.3Å; R362-F364 PolarHBondContact O-N 2.85Å; R362-L365 PolarHBondContact O-N 2.77Å; R362-E366 WeakPolarHBondContact CD-OE1 3.45Å; R362-E366 HydrophobicContact CG-CG 4.34Å; R362-E366 VanDerWaalsContact CG-OE1 3.3Å; R362-E366 WeakPolarHBondContact CG-OE1 3.31Å; R362-E366 WeakPolarHBondContact O-CB 3.38Å; R362-E366 WeakPolarHBondContact O-CG 3.35Å; R362-E366 PolarHBondContact O-N 2.88Å
363W95.5Very high92Very high40 Ų4065.1 Ų65.115%0.15230%0.298CS..Hα-helixtrans-61.9-39.6177.2178.187000111.7W277 R359 P360 F361 E366 N367 I368W277-W363 WeakPolarHBondContact O-CZ3 3.31Å; R359-W363 HydrophobicContact CB-CB 4.01Å; R359-W363 HydrophobicContact CB-CD2 4.01Å; R359-W363 HydrophobicContact CB-CE3 3.97Å; R359-W363 HydrophobicContact CB-CG 3.99Å; R359-W363 HydrophobicContact CG-CD2 4.27Å; R359-W363 HydrophobicContact CG-CE3 4.43Å; R359-W363 HydrophobicContact CG-CG 4.39Å; P360-W363 HydrophobicContact CG-CB 4.29Å; P360-W363 VanDerWaalsContact O-CB 3.31Å; P360-W363 WeakPolarHBondContact O-CB 3.4Å; P360-W363 PolarHBondContact O-N 3.03Å; F361-W363 PolarHBondContact O-N 3.34Å; W363-E366 PolarHBondContact O-N 2.65Å; W363-N367 HydrophobicContact CD2-CB 4.27Å; W363-N367 HydrophobicContact CH2-CB 4.29Å; W363-N367 HydrophobicContact CZ2-CB 3.71Å; W363-N367 PolarHBondContact NE1-ND2 2.74Å; W363-N367 VanDerWaalsContact O-CB 3.23Å; W363-N367 WeakPolarHBondContact O-CB 3.3Å; W363-N367 PolarHBondContact O-N 3.21Å; W363-N367 PolarHBondContact O-ND2 3.41Å; W363-I368 HydrophobicContact CH2-CD1 3.79Å; W363-I368 HydrophobicContact CH2-CG1 3.83Å; W363-I368 HydrophobicContact CZ3-CD1 4.24Å; W363-I368 HydrophobicContact CZ3-CG1 3.76Å
364F94.1Very high90.7Very high12 Ų1267.5 Ų67.55%0.05332%0.316CS..Hα-helixtrans-62.5-45176.5174.6-91.4000111.6M226 W277 T278 F361 R362 I368 Y369M226-F364 HydrophobicContact CE-CE1 3.77Å; M226-F364 HydrophobicContact CE-CZ 4.45Å; W277-F364 HydrophobicContact CB-CD2 3.63Å; W277-F364 HydrophobicContact CB-CE2 3.71Å; W277-F364 AromaticContact CD1-CE2 3.7Å; W277-F364 HydrophobicContact CG-CD2 4.25Å; W277-F364 AromaticContact CG-CE2 3.86Å; W277-F364 HydrophobicContact CG-CE2 3.86Å; T278-F364 HydrophobicContact CG2-CB 3.84Å; T278-F364 HydrophobicContact CG2-CD2 4.45Å; T278-F364 HydrophobicContact CG2-CG 4.47Å; F361-F364 HydrophobicContact CD2-CB 4.34Å; F361-F364 HydrophobicContact CD2-CD1 4.26Å; F361-F364 AromaticContact CE2-CD1 3.63Å; F361-F364 HydrophobicContact CE2-CD1 3.63Å; F361-F364 HydrophobicContact CE2-CE1 4.2Å; F361-F364 HydrophobicContact CE2-CG 4.3Å; F361-F364 HydrophobicContact CZ-CD1 4.05Å; F361-F364 HydrophobicContact CZ-CE1 4.48Å; F361-F364 WeakPolarHBondContact O-CA 3.05Å; F361-F364 VanDerWaalsContact O-CB 3.27Å; F361-F364 WeakPolarHBondContact O-CB 3.12Å; F361-F364 PolarHBondContact O-N 2.86Å; R362-F364 VanDerWaalsContact C-N 3.3Å; R362-F364 PolarHBondContact O-N 2.85Å; F364-I368 HydrophobicContact CD2-CB 3.78Å; F364-I368 HydrophobicContact CD2-CG1 4.06Å; F364-I368 HydrophobicContact CD2-CG2 3.96Å; F364-I368 HydrophobicContact CE2-CB 3.88Å; F364-I368 HydrophobicContact CE2-CG1 4.49Å; F364-I368 HydrophobicContact CE2-CG2 3.54Å; F364-I368 HydrophobicContact CG-CB 4.35Å; F364-I368 HydrophobicContact CZ-CG2 4.14Å; F364-I368 WeakPolarHBondContact O-CA 3.34Å; F364-I368 WeakPolarHBondContact O-CB 3.3Å; F364-I368 PolarHBondContact O-N 3.48Å; F364-Y369 HydrophobicContact CE1-CD1 4.41Å; F364-Y369 HydrophobicContact CE1-CG 4.35Å; F364-Y369 PolarHBondContact O-N 2.95Å
365L91.1Very high88.8Confident4 Ų464.9 Ų64.92%0.02131%0.31CS..Hα-helixtrans-61.4-47.9175.2-63.4175000111.3W228 Y325 F361 R362 N367 Y369 P370 L372W228-L365 HydrophobicContact CH2-CD1 3.92Å; W228-L365 HydrophobicContact CH2-CD2 4.38Å; Y325-L365 HydrophobicContact CD1-CD1 4.08Å; Y325-L365 HydrophobicContact CD2-CD1 4.25Å; Y325-L365 HydrophobicContact CE1-CD1 3.61Å; Y325-L365 HydrophobicContact CE2-CD1 3.82Å; Y325-L365 HydrophobicContact CG-CD1 4.37Å; Y325-L365 VanDerWaalsContact CZ-CD1 3.46Å; F361-L365 HydrophobicContact CD1-CD1 3.86Å; F361-L365 HydrophobicContact CD1-CD2 4.49Å; F361-L365 HydrophobicContact CD1-CG 4.01Å; F361-L365 HydrophobicContact CE1-CD1 3.71Å; F361-L365 HydrophobicContact CE1-CD2 3.69Å; F361-L365 HydrophobicContact CE1-CG 3.69Å; F361-L365 HydrophobicContact CZ-CD2 3.91Å; F361-L365 HydrophobicContact CZ-CG 4.22Å; F361-L365 PolarHBondContact O-N 3.46Å; R362-L365 PolarHBondContact O-N 2.77Å; L365-N367 VanDerWaalsContact C-N 3.33Å; L365-N367 PolarHBondContact O-N 2.97Å; L365-Y369 CarbonylContact O-C 3.4Å; L365-P370 WeakPolarHBondContact O-CA 3.19Å; L365-P370 VanDerWaalsContact O-CB 3.3Å; L365-P370 WeakPolarHBondContact O-CB 3.28Å; L365-P370 WeakPolarHBondContact O-CD 3.46Å; L365-L372 HydrophobicContact CD2-CB 4.05Å; L365-L372 HydrophobicContact CD2-CD2 3.79Å; L365-L372 HydrophobicContact CD2-CG 4.24Å
366E89.3Confident86.8Confident128 Ų12861 Ų6160%0.59830%0.299SS*.Hα-helixtrans-68-30.1-177-71.3169.517500113.6R362 W363R362-E366 WeakPolarHBondContact CD-OE1 3.45Å; R362-E366 HydrophobicContact CG-CG 4.34Å; R362-E366 VanDerWaalsContact CG-OE1 3.3Å; R362-E366 WeakPolarHBondContact CG-OE1 3.31Å; R362-E366 WeakPolarHBondContact O-CB 3.38Å; R362-E366 WeakPolarHBondContact O-CG 3.35Å; R362-E366 PolarHBondContact O-N 2.88Å; W363-E366 PolarHBondContact O-N 2.65Å
367N87.4Confident84.5Confident68 Ų6868.3 Ų68.336%0.36433%0.33SS..Hα-helixtrans-115.2-26-167.2-67.7-104.2000114.8W363 L365W363-N367 HydrophobicContact CD2-CB 4.27Å; W363-N367 HydrophobicContact CH2-CB 4.29Å; W363-N367 HydrophobicContact CZ2-CB 3.71Å; W363-N367 PolarHBondContact NE1-ND2 2.74Å; W363-N367 VanDerWaalsContact O-CB 3.23Å; W363-N367 WeakPolarHBondContact O-CB 3.3Å; W363-N367 PolarHBondContact O-N 3.21Å; W363-N367 PolarHBondContact O-ND2 3.41Å; L365-N367 VanDerWaalsContact C-N 3.33Å; L365-N367 PolarHBondContact O-N 2.97Å
368I87Confident82.1Confident44 Ų4463.7 Ų63.723%0.22632%0.32CS..THydrogen-bonded Turntrans-118.6-46-169.8-55.2-56.8000111.4W277 W363 F364W277-I368 HydrophobicContact CB-CG1 4.26Å; W277-I368 HydrophobicContact CB-CG2 4.38Å; W277-I368 HydrophobicContact CD2-CD1 4.03Å; W277-I368 HydrophobicContact CD2-CG1 4.15Å; W277-I368 HydrophobicContact CD2-CG2 3.61Å; W277-I368 HydrophobicContact CE3-CD1 3.39Å; W277-I368 HydrophobicContact CE3-CG1 3.96Å; W277-I368 HydrophobicContact CE3-CG2 4.12Å; W277-I368 HydrophobicContact CG-CG1 4.33Å; W277-I368 HydrophobicContact CG-CG2 3.75Å; W277-I368 HydrophobicContact CH2-CD1 4.44Å; W277-I368 HydrophobicContact CZ2-CG2 4.29Å; W277-I368 HydrophobicContact CZ3-CD1 3.63Å; W363-I368 HydrophobicContact CH2-CD1 3.79Å; W363-I368 HydrophobicContact CH2-CG1 3.83Å; W363-I368 HydrophobicContact CZ3-CD1 4.24Å; W363-I368 HydrophobicContact CZ3-CG1 3.76Å; F364-I368 HydrophobicContact CD2-CB 3.78Å; F364-I368 HydrophobicContact CD2-CG1 4.06Å; F364-I368 HydrophobicContact CD2-CG2 3.96Å; F364-I368 HydrophobicContact CE2-CB 3.88Å; F364-I368 HydrophobicContact CE2-CG1 4.49Å; F364-I368 HydrophobicContact CE2-CG2 3.54Å; F364-I368 HydrophobicContact CG-CB 4.35Å; F364-I368 HydrophobicContact CZ-CG2 4.14Å; F364-I368 WeakPolarHBondContact O-CA 3.34Å; F364-I368 WeakPolarHBondContact O-CB 3.3Å; F364-I368 PolarHBondContact O-N 3.48Å
369Y89.4Confident79.6Confident11 Ų1167.1 Ų67.14%0.04334%0.34CS..  trans-138.258.6-173.2-161.7-115.4000113.2G225 M226 K233 D235 F364 L365 Q371 L372G225-Y369 VanDerWaalsContact CA-OH 3.31Å; G225-Y369 WeakPolarHBondContact CA-OH 3.3Å; M226-Y369 HydrophobicContact CG-CE1 4.12Å; M226-Y369 PolarHBondContact N-OH 3.44Å; M226-Y369 VanDerWaalsContact N-OH 3.15Å; M226-Y369 PolarHBondContact O-OH 3.27Å; K233-Y369 WeakPolarHBondContact CE-OH 3.36Å; D235-Y369 WeakPolarHBondContact OD2-CE2 3.46Å; D235-Y369 PolarHBondContact OD2-OH 2.81Å; F364-Y369 HydrophobicContact CE1-CD1 4.41Å; F364-Y369 HydrophobicContact CE1-CG 4.35Å; F364-Y369 PolarHBondContact O-N 2.95Å; L365-Y369 CarbonylContact O-C 3.4Å; Y369-Q371 VanDerWaalsContact C-OE1 3.22Å; Y369-Q371 VanDerWaalsContact CA-OE1 3.3Å; Y369-Q371 HydrophobicContact CD2-CG 3.81Å; Y369-Q371 HydrophobicContact CE1-CG 4.18Å; Y369-Q371 HydrophobicContact CE2-CG 3.45Å; Y369-Q371 VanDerWaalsContact CE2-CG 3.45Å; Y369-Q371 HydrophobicContact CG-CG 4.3Å; Y369-Q371 PolarHBondContact O-N 3.48Å; Y369-L372 HydrophobicContact CD1-CB 3.56Å; Y369-L372 HydrophobicContact CD1-CD2 4.18Å; Y369-L372 HydrophobicContact CD1-CG 4.42Å; Y369-L372 HydrophobicContact CE1-CB 3.64Å; Y369-L372 HydrophobicContact CE1-CD1 4.42Å; Y369-L372 HydrophobicContact CE1-CD2 4.35Å; Y369-L372 HydrophobicContact CE1-CG 4.36Å; Y369-L372 PolarHBondContact O-N 2.93Å
370P87Confident77.1Confident58 Ų5865.6 Ų65.638%0.37734%0.344SS..G310 helixtrans-65.8-20.9-178.226.7-35.5000113.5L365 L372 E373L365-P370 WeakPolarHBondContact O-CA 3.19Å; L365-P370 VanDerWaalsContact O-CB 3.3Å; L365-P370 WeakPolarHBondContact O-CB 3.28Å; L365-P370 WeakPolarHBondContact O-CD 3.46Å; P370-L372 PolarHBondContact O-N 2.95Å; P370-E373 PolarHBondContact O-N 3.04Å; P370-E373 VanDerWaalsContact O-N 3.11Å
371Q82.2Confident74.2Confident66 Ų6667.3 Ų67.331%0.30835%0.349SS..G310 helixtrans-63.7-17177.664.1-94.149.200113.8Y369 E373 V374Y369-Q371 VanDerWaalsContact C-OE1 3.22Å; Y369-Q371 VanDerWaalsContact CA-OE1 3.3Å; Y369-Q371 HydrophobicContact CD2-CG 3.81Å; Y369-Q371 HydrophobicContact CE1-CG 4.18Å; Y369-Q371 HydrophobicContact CE2-CG 3.45Å; Y369-Q371 VanDerWaalsContact CE2-CG 3.45Å; Y369-Q371 HydrophobicContact CG-CG 4.3Å; Y369-Q371 PolarHBondContact O-N 3.48Å; Q371-E373 PolarHBondContact O-N 2.98Å; Q371-V374 WeakPolarHBondContact O-CB 3.49Å; Q371-V374 PolarHBondContact O-N 3.23Å; Q371-V374 VanDerWaalsContact O-N 3.09Å
372L87.5Confident71.2Confident7 Ų777.3 Ų77.34%0.03739%0.387CS..G310 helixtrans-66.1-25.8173.6-175.451.7000112.8M226 W228 F361 L365 Y369 P370 V374M226-L372 HydrophobicContact CE-CD2 3.66Å; M226-L372 HydrophobicContact CG-CD2 4.25Å; M226-L372 WeakPolarHBondContact O-CD1 3.49Å; W228-L372 HydrophobicContact CD2-CD1 4.12Å; W228-L372 HydrophobicContact CD2-CD2 4.36Å; W228-L372 HydrophobicContact CD2-CG 4.09Å; W228-L372 HydrophobicContact CE3-CD2 4.41Å; W228-L372 HydrophobicContact CG-CD1 4.02Å; W228-L372 HydrophobicContact CG-CG 4.5Å; W228-L372 HydrophobicContact CH2-CD2 4.38Å; W228-L372 HydrophobicContact CH2-CG 4.45Å; W228-L372 HydrophobicContact CZ2-CD2 4.31Å; W228-L372 HydrophobicContact CZ2-CG 3.89Å; W228-L372 HydrophobicContact CZ3-CD2 4.42Å; W228-L372 PolarHBondContact NE1-O 3.32Å; F361-L372 HydrophobicContact CZ-CD2 4.48Å; L365-L372 HydrophobicContact CD2-CB 4.05Å; L365-L372 HydrophobicContact CD2-CD2 3.79Å; L365-L372 HydrophobicContact CD2-CG 4.24Å; Y369-L372 HydrophobicContact CD1-CB 3.56Å; Y369-L372 HydrophobicContact CD1-CD2 4.18Å; Y369-L372 HydrophobicContact CD1-CG 4.42Å; Y369-L372 HydrophobicContact CE1-CB 3.64Å; Y369-L372 HydrophobicContact CE1-CD1 4.42Å; Y369-L372 HydrophobicContact CE1-CD2 4.35Å; Y369-L372 HydrophobicContact CE1-CG 4.36Å; Y369-L372 PolarHBondContact O-N 2.93Å; P370-L372 PolarHBondContact O-N 2.95Å; L372-V374 VanDerWaalsContact C-N 3.32Å
373E81.9Confident68.7Low76 Ų7674.8 Ų74.836%0.35539%0.391SS..G310 helixtrans-78.4-18.4173.3-70.6-70.1162.100112.2Y325 R329 P370 Q371 D375Y325-E373 WeakPolarHBondContact CE1-OE1 3.25Å; R329-E373 IonicContact CZ-OE2 3.74Å; R329-E373 IonicContact NH2-OE2 2.71Å; R329-E373 PolarHBondContact NH2-OE2 2.86Å; P370-E373 PolarHBondContact O-N 3.04Å; P370-E373 VanDerWaalsContact O-N 3.11Å; Q371-E373 PolarHBondContact O-N 2.98Å; E373-D375 PolarHBondContact O-N 3.22Å
374V70.5Confident66.1Low84 Ų8477.9 Ų77.951%0.50941%0.41SS..SBendtrans-77.4114.1177.6-176.50000108.4Q371 L372 E376Q371-V374 WeakPolarHBondContact O-CB 3.49Å; Q371-V374 PolarHBondContact O-N 3.23Å; Q371-V374 VanDerWaalsContact O-N 3.09Å; L372-V374 VanDerWaalsContact C-N 3.32Å; V374-E376 PolarHBondContact O-N 3.05Å
375D54.7Low63.4Low118 Ų11884.2 Ų84.263%0.63144%0.44SS*.  trans-49.9118.7-176-132.3-21.5000111.8E373 K377 A378E373-D375 PolarHBondContact O-N 3.22Å; D375-K377 PolarHBondContact O-N 3.41Å; D375-A378 WeakPolarHBondContact O-CB 3.31Å; D375-A378 PolarHBondContact O-N 3.41Å
376E52.5Low61Low90 Ų9091.6 Ų91.642%0.42147%0.474SS..Hα-helixtrans-56.9-24.8-175-68.4-169.5143.300112.8D227 K233 V374 A378 V379 S380D227-E376 VanDerWaalsContact CB-OE1 3.28Å; D227-E376 WeakPolarHBondContact CB-OE1 3.43Å; K233-E376 IonicContact NZ-OE1 3.9Å; K233-E376 PolarHBondContact NZ-OE1 3.07Å; V374-E376 PolarHBondContact O-N 3.05Å; E376-A378 PolarHBondContact O-N 2.88Å; E376-V379 PolarHBondContact O-N 3.42Å; E376-S380 PolarHBondContact O-N 2.83Å
377K45.7Very low59Low161 Ų16188.3 Ų88.370%0.746%0.463SS*.Hα-helixtrans-59.3-33.6176.3-66.5-176-176.9173.70112.4D375 V379 S380D375-K377 PolarHBondContact O-N 3.41Å; K377-V379 VanDerWaalsContact C-N 3.35Å; K377-V379 PolarHBondContact O-N 2.92Å; K377-S380 PolarHBondContact O-OG 2.84Å
378A44Very low57.4Low62 Ų6291 Ų9151%0.51248%0.482SS..Hα-helixtrans-69.2-30.8-179.100000113D375 E376D375-A378 WeakPolarHBondContact O-CB 3.31Å; D375-A378 PolarHBondContact O-N 3.41Å; E376-A378 PolarHBondContact O-N 2.88Å
379V45Very low56.2Low94 Ų9490.2 Ų90.257%0.5748%0.482SS*.Hα-helixtrans-80.8-35.4-178.7-177.60000111.5E376 K377 I381 R382E376-V379 PolarHBondContact O-N 3.42Å; K377-V379 VanDerWaalsContact C-N 3.35Å; K377-V379 PolarHBondContact O-N 2.92Å; V379-I381 PolarHBondContact O-N 3.31Å; V379-I381 VanDerWaalsContact O-N 3.12Å; V379-R382 PolarHBondContact O-N 3.5Å
380S44.1Very low55.7Low67 Ų6793.8 Ų93.847%0.46951%0.507SS..Hα-helixtrans-59.2-26.3179.472.40000114E376 K377E376-S380 PolarHBondContact O-N 2.83Å; K377-S380 PolarHBondContact O-OG 2.84Å
381I36Very low55.6Low104 Ų10497 Ų9753%0.53351%0.512SS..Hα-helixtrans-73.7-28.6178.4-61.2175000111.8V379 H385V379-I381 PolarHBondContact O-N 3.31Å; V379-I381 VanDerWaalsContact O-N 3.12Å; I381-H385 PolarHBondContact O-ND1 2.81Å
382R34.6Very low55.9Low211 Ų21198.8 Ų98.880%0.79652%0.519SS*.Hα-helixtrans-74.2-39.4176.9-85-176173.6174.4-1.2112.4V379 L384 H385V379-R382 PolarHBondContact O-N 3.5Å; R382-L384 PolarHBondContact O-N 3.03Å; R382-H385 PolarHBondContact O-N 3.47Å; R382-H385 VanDerWaalsContact O-N 3.09Å
383A43.3Very low56Low66 Ų66101.6 Ų101.655%0.54553%0.533SS..Hα-helixtrans-65.2-24.5178.700000113.4H385A383-H385 VanDerWaalsContact C-N 3.27Å; A383-H385 PolarHBondContact O-N 3.07Å
384L40.2Very low56.5Low104 Ų10498.1 Ų98.155%0.54552%0.517SS..THydrogen-bonded Turntrans-71.4-19.3175.1-72.5166000113.3R382 T387R382-L384 PolarHBondContact O-N 3.03Å; L384-T387 PolarHBondContact O-OG1 3.24Å
385H37.7Very low57.5Low145 Ų14594.9 Ų94.967%0.67150%0.496SS*.THydrogen-bonded Turntrans-90-13.7-177.6-84.295.7000114.4I381 R382 A383 T387I381-H385 PolarHBondContact O-ND1 2.81Å; R382-H385 PolarHBondContact O-N 3.47Å; R382-H385 VanDerWaalsContact O-N 3.09Å; A383-H385 VanDerWaalsContact C-N 3.27Å; A383-H385 PolarHBondContact O-N 3.07Å; H385-T387 VanDerWaalsContact C-N 3.27Å; H385-T387 PolarHBondContact O-N 2.87Å
386E41.7Very low59.3Low159 Ų15989.3 Ų89.374%0.74347%0.466SS*.  trans-81.84-178.8-80.5177.5164.700114.3T388E386-T388 PolarHBondContact O-N 2.74Å; E386-T388 VanDerWaalsContact O-N 3.16Å
387T47.5Very low61.2Low60 Ų6087.4 Ų87.437%0.36846%0.458SS..  trans-81.118-179.551.70000115.8L384 H385 A389 R441 I462L384-T387 PolarHBondContact O-OG1 3.24Å; H385-T387 VanDerWaalsContact C-N 3.27Å; H385-T387 PolarHBondContact O-N 2.87Å; T387-A389 PolarHBondContact O-N 3.29Å; T387-R441 PolarHBondContact O-NH1 2.95Å; T387-I462 HydrophobicContact CG2-CD1 4.42Å
388T53.6Low63.4Low124 Ų12480.1 Ų80.176%0.76143%0.427SS*.  trans-87.737.5169.962.70000112.3E386E386-T388 PolarHBondContact O-N 2.74Å; E386-T388 VanDerWaalsContact O-N 3.16Å
389A61.8Low65.4Low27 Ų2779.4 Ų79.422%0.22342%0.42CS..  trans-57.8138.5167.400000108.8T387 Y391T387-A389 PolarHBondContact O-N 3.29Å; A389-Y391 PolarHBondContact O-N 3.2Å
390P78.2Confident67.2Low87 Ų8780.3 Ų80.357%0.56542%0.422SS*.  trans-52.8139.6175.2-20.329.8000110.1D436P390-D436 WeakPolarHBondContact CB-OD2 3.49Å; P390-D436 WeakPolarHBondContact CD-OD2 3.38Å; P390-D436 WeakPolarHBondContact CG-OD2 3.49Å; P390-D436 PolarHBondContact O-N 3.08Å; P390-D436 VanDerWaalsContact O-N 3.1Å
391Y84.5Confident68.7Low125 Ų12578.5 Ų78.549%0.4941%0.414SS..EExtended strand (participates in β ladder)trans-141.4153.5177.865.6-92.4000110.4A389 I393 S433 Y434A389-Y391 PolarHBondContact O-N 3.2Å; Y391-I393 HydrophobicContact CD2-CG1 4.17Å; Y391-I393 HydrophobicContact CE2-CD1 4.31Å; Y391-I393 HydrophobicContact CE2-CG1 3.78Å; Y391-S433 VanDerWaalsContact CD2-CB 3.49Å; Y391-S433 VanDerWaalsContact CD2-OG 3.25Å; Y391-S433 WeakPolarHBondContact CD2-OG 3.21Å; Y391-S433 VanDerWaalsContact CE2-OG 3.29Å; Y391-S433 WeakPolarHBondContact CE2-OG 3.48Å; Y391-Y434 CarbonylContact C-O 3.59Å; Y391-Y434 VanDerWaalsContact CA-O 3.22Å; Y391-Y434 WeakPolarHBondContact CA-O 3.48Å; Y391-Y434 WeakPolarHBondContact CB-O 3.45Å
392K90Very high70.9Confident103 Ų10379.5 Ų79.545%0.44842%0.421SS..EExtended strand (participates in β ladder)trans-103.1136.3170.5-63.9-177.7164-139.70109I394 S433 Y434 E510K392-I394 HydrophobicContact CB-CG2 3.96Å; K392-I394 PolarHBondContact O-N 3.28Å; K392-S433 CarbonylContact O-C 3.49Å; K392-S433 WeakPolarHBondContact O-CA 3.46Å; K392-Y434 PolarHBondContact N-O 3.08Å; K392-Y434 PolarHBondContact O-N 2.8Å; K392-E510 IonicContact NZ-OE1 3.98Å; K392-E510 IonicContact NZ-OE2 3.27Å; K392-E510 PolarHBondContact NZ-OE2 2.84Å
393I89.3Confident73.6Confident66 Ų6676 Ų7634%0.33841%0.408SS..EExtended strand (participates in β ladder)trans-82.1117.4170.6-58.8-178.7000106.8Y391 T431 I511Y391-I393 HydrophobicContact CD2-CG1 4.17Å; Y391-I393 HydrophobicContact CE2-CD1 4.31Å; Y391-I393 HydrophobicContact CE2-CG1 3.78Å; I393-T431 HydrophobicContact CG2-CG2 3.19Å; I393-I511 HydrophobicContact CB-CB 4.48Å; I393-I511 HydrophobicContact CG2-CB 3.99Å; I393-I511 HydrophobicContact CG2-CD1 4.33Å; I393-I511 PolarHBondContact O-N 3.37Å
394I91.4Very high75.9Confident3 Ų372.9 Ų72.92%0.01538%0.382CS..EExtended strand (participates in β ladder)trans-127.9150.3-175.867.7170.2000112.1K392 L396 W432 Y434 L440 F471 T509K392-I394 HydrophobicContact CB-CG2 3.96Å; K392-I394 PolarHBondContact O-N 3.28Å; I394-L396 HydrophobicContact CD1-CD2 3.73Å; I394-L396 HydrophobicContact CD1-CG 4.29Å; I394-L396 HydrophobicContact CG1-CD2 4.45Å; I394-W432 HydrophobicContact CG1-CB 4.15Å; I394-W432 PolarHBondContact N-O 2.79Å; I394-W432 PolarHBondContact O-N 3.02Å; I394-Y434 HydrophobicContact CD1-CG 4.11Å; I394-L440 HydrophobicContact CD1-CD2 3.99Å; I394-F471 HydrophobicContact CD1-CE2 4.3Å; I394-F471 HydrophobicContact CD1-CZ 3.92Å; I394-T509 CarbonylContact C-O 3.56Å; I394-T509 WeakPolarHBondContact CA-O 3.47Å
395Q91.1Very high78.4Confident17 Ų1768 Ų688%0.07936%0.356CS..EExtended strand (participates in β ladder)trans-107.9140.3162-124.6176.8-0.700109.7E424 S430 T509 I511Q395-E424 PolarHBondContact NE2-O 2.86Å; Q395-S430 VanDerWaalsContact CG-O 3.27Å; Q395-S430 WeakPolarHBondContact CG-O 3.46Å; Q395-S430 PolarHBondContact NE2-OG 2.79Å; Q395-T509 PolarHBondContact N-O 2.7Å; Q395-T509 PolarHBondContact O-N 2.83Å; Q395-I511 HydrophobicContact CB-CD1 4.21Å; Q395-I511 HydrophobicContact CG-CD1 4.33Å
396L92.9Very high80.9Confident0 Ų061 Ų610%032%0.324CS..EExtended strand (participates in β ladder)trans-107.184.5-178.9-65.8-177.1000109.6I394 C404 L405 L440 F471 L477 F506 Q508I394-L396 HydrophobicContact CD1-CD2 3.73Å; I394-L396 HydrophobicContact CD1-CG 4.29Å; I394-L396 HydrophobicContact CG1-CD2 4.45Å; L396-C404 CarbonylContact O-C 3.47Å; L396-C404 VanDerWaalsContact O-CA 3.26Å; L396-C404 WeakPolarHBondContact O-CA 3.16Å; L396-L405 HydrophobicContact CB-CB 3.92Å; L396-L405 HydrophobicContact CD1-CB 4.47Å; L396-L405 HydrophobicContact CD1-CD2 3.85Å; L396-L405 PolarHBondContact O-N 2.92Å; L396-L440 HydrophobicContact CD1-CD1 3.98Å; L396-L440 HydrophobicContact CD1-CD2 4.02Å; L396-F471 HydrophobicContact CD1-CZ 4.47Å; L396-F471 HydrophobicContact CD2-CE1 3.49Å; L396-F471 VanDerWaalsContact CD2-CE1 3.49Å; L396-F471 HydrophobicContact CD2-CZ 3.58Å; L396-L477 HydrophobicContact CD1-CD2 4.37Å; L396-F506 HydrophobicContact CB-CD1 3.86Å; L396-F506 HydrophobicContact CB-CE1 4.4Å; L396-F506 HydrophobicContact CB-CG 4.29Å; L396-F506 HydrophobicContact CD2-CB 4.47Å; L396-F506 WeakPolarHBondContact O-CD1 3.49Å; L396-Q508 HydrophobicContact CD2-CG 4.02Å
397Q92.4Very high83Confident51 Ų5153.8 Ų53.824%0.23829%0.29CS..EExtended strand (participates in β ladder)trans-81.9131.3179.5-174.2176.137.300110.2G401 R403 F506 R507Q397-G401 PolarHBondContact NE2-O 3.41Å; Q397-R403 CarbonylContact C-O 3.5Å; Q397-R403 WeakPolarHBondContact CA-O 3.48Å; Q397-F506 CarbonylContact O-C 3.57Å; Q397-F506 WeakPolarHBondContact O-CA 3.47Å; Q397-R507 PolarHBondContact N-O 2.87Å; Q397-R507 VanDerWaalsContact N-O 3.12Å; Q397-R507 PolarHBondContact O-N 3.29Å
398T91.9Very high84.4Confident8 Ų852.2 Ų52.25%0.04928%0.283CS..EExtended strand (participates in β ladder)trans-60147.8174.352.60000110.6N400 G401 R403 L420 L504 R505 F506T398-N400 VanDerWaalsContact CB-OD1 3.27Å; T398-N400 WeakPolarHBondContact CB-OD1 3.48Å; T398-N400 PolarHBondContact O-N 2.86Å; T398-N400 PolarHBondContact OG1-OD1 3.11Å; T398-G401 WeakPolarHBondContact O-CA 3.19Å; T398-G401 PolarHBondContact O-N 3.06Å; T398-R403 HydrophobicContact CG2-CB 4.49Å; T398-R403 PolarHBondContact N-O 2.89Å; T398-R403 PolarHBondContact OG1-N 3.41Å; T398-R403 PolarHBondContact OG1-O 3.25Å; T398-L420 HydrophobicContact CG2-CD1 4.2Å; T398-L420 HydrophobicContact CG2-CD2 3.77Å; T398-L504 HydrophobicContact CG2-CD2 4.46Å; T398-R505 CarbonylContact C-O 3.55Å; T398-R505 WeakPolarHBondContact CA-O 3.4Å; T398-F506 HydrophobicContact CG2-CD1 4.36Å; T398-F506 HydrophobicContact CG2-CE1 3.92Å
399A86.8Confident85.1Confident46 Ų4652.9 Ų52.938%0.3828%0.277SS..THydrogen-bonded Turntrans-60.2-20.9-174.800000114.4G401 R505A399-G401 VanDerWaalsContact C-N 3.27Å; A399-R505 HydrophobicContact CB-CB 3.84Å; A399-R505 PolarHBondContact N-O 3.17Å
400N83.1Confident85Confident113 Ų11356.1 Ų56.160%0.60429%0.288SS*.THydrogen-bonded Turntrans-80.70172.366.2-2.6000113.9T398 N402T398-N400 VanDerWaalsContact CB-OD1 3.27Å; T398-N400 WeakPolarHBondContact CB-OD1 3.48Å; T398-N400 PolarHBondContact O-N 2.86Å; T398-N400 PolarHBondContact OG1-OD1 3.11Å; N400-N402 VanDerWaalsContact C-N 3.27Å; N400-N402 PolarHBondContact O-N 2.86Å; N400-N402 PolarHBondContact O-OD1 3.13Å; N400-N402 PolarHBondContact OD1-N 3.45Å
401G75.7Confident83.8Confident30 Ų3060.3 Ų60.331%0.30930%0.3SS..SBendtrans80-11.1173.700000116.1Q397 T398 A399Q397-G401 PolarHBondContact NE2-O 3.41Å; T398-G401 WeakPolarHBondContact O-CA 3.19Å; T398-G401 PolarHBondContact O-N 3.06Å; A399-G401 VanDerWaalsContact C-N 3.27Å
402N81.1Confident82.4Confident124 Ų12455.5 Ų55.566%0.66328%0.283SS*.SBendtrans-92.1-19.7-163.3-70.8-9.5000115N400N400-N402 VanDerWaalsContact C-N 3.27Å; N400-N402 PolarHBondContact O-N 2.86Å; N400-N402 PolarHBondContact O-OD1 3.13Å; N400-N402 PolarHBondContact OD1-N 3.45Å
403R91.2Very high80.6Confident139 Ų13959.8 Ų59.853%0.52531%0.305SS..  trans-143.1156.2-174.1-62.1-168.3177.6-162.34.3112.1Q397 T398 L420 L421 C423Q397-R403 CarbonylContact C-O 3.5Å; Q397-R403 WeakPolarHBondContact CA-O 3.48Å; T398-R403 HydrophobicContact CG2-CB 4.49Å; T398-R403 PolarHBondContact N-O 2.89Å; T398-R403 PolarHBondContact OG1-N 3.41Å; T398-R403 PolarHBondContact OG1-O 3.25Å; R403-L420 HydrophobicContact CB-CB 3.91Å; R403-L420 HydrophobicContact CG-CB 4.43Å; R403-L420 PolarHBondContact NH1-O 2.95Å; R403-L421 CarbonylContact C-O 3.56Å; R403-L421 VanDerWaalsContact CA-O 3.25Å; R403-L421 WeakPolarHBondContact CA-O 3.3Å; R403-L421 WeakPolarHBondContact CB-O 3.23Å; R403-C423 PolarHBondContact O-SG 3.42Å
404C91.2Very high78.7Confident0 Ų066.6 Ų66.60%033%0.332CS..EExtended strand (participates in β ladder)trans-119.8142.6179-79.80000110.2L396 G406 L420 L421 C423L396-C404 CarbonylContact O-C 3.47Å; L396-C404 VanDerWaalsContact O-CA 3.26Å; L396-C404 WeakPolarHBondContact O-CA 3.16Å; C404-G406 PolarHBondContact O-N 3.36Å; C404-L420 CarbonylContact O-C 3.46Å; C404-L420 WeakPolarHBondContact O-CA 3.3Å; C404-L421 PolarHBondContact N-O 3.35Å; C404-L421 PolarHBondContact O-N 3.16Å; C404-C423 HydrophobicContact CB-CB 4.08Å; C404-C423 WeakPolarHBondContact CB-SG 3.49Å; C404-C423 PolarHBondContact N-SG 3.32Å; C404-C423 VanDerWaalsContact SG-CA 3.56Å; C404-C423 WeakPolarHBondContact SG-CB 3.47Å; C404-C423 CovalentContact SG-SG 2.05Å; C404-C423 PolarHBondContact SG-SG 3.38Å
405L92.6Very high77Confident0 Ų068.3 Ų68.30%035%0.351CS..EExtended strand (participates in β ladder)trans-67.4119.8171.2-176.867.1000109L396 L418 W432 L486 V493 F506L396-L405 HydrophobicContact CB-CB 3.92Å; L396-L405 HydrophobicContact CD1-CB 4.47Å; L396-L405 HydrophobicContact CD1-CD2 3.85Å; L396-L405 PolarHBondContact O-N 2.92Å; L405-L418 HydrophobicContact CD1-CB 4.39Å; L405-L418 HydrophobicContact CD1-CD2 4.26Å; L405-L418 HydrophobicContact CG-CD2 4.5Å; L405-W432 HydrophobicContact CD2-CZ2 4.37Å; L405-W432 HydrophobicContact CG-CZ2 4.28Å; L405-W432 PolarHBondContact O-NE1 2.78Å; L405-L486 HydrophobicContact CD1-CD2 3.89Å; L405-L486 HydrophobicContact CD2-CD2 3.56Å; L405-L486 HydrophobicContact CG-CD2 4.35Å; L405-V493 HydrophobicContact CD1-CG1 3.93Å; L405-V493 HydrophobicContact CD1-CG2 4.2Å; L405-F506 HydrophobicContact CB-CE1 3.9Å; L405-F506 HydrophobicContact CB-CZ 4.31Å
406G90.5Very high75.7Confident0 Ų070.5 Ų70.50%036%0.363CS..EExtended strand (participates in β ladder)trans-144-173.6177.500000112.6C404 L418 Q419 T429C404-G406 PolarHBondContact O-N 3.36Å; G406-L418 WeakPolarHBondContact O-CA 3.23Å; G406-Q419 PolarHBondContact N-O 3.24Å; G406-Q419 PolarHBondContact O-N 3.35Å; G406-T429 CarbonylContact C-O 3.6Å; G406-T429 WeakPolarHBondContact CA-O 3.3Å
407I86.8Confident74.8Confident6 Ų670.6 Ų70.63%0.03136%0.364CS..EExtended strand (participates in β ladder)trans-119.8123.4-171.8-55163.5000107.6H409 A417 L418 T429 W432 T442 L457I407-H409 WeakPolarHBondContact CG2-O 3.31Å; I407-A417 CarbonylContact C-O 3.6Å; I407-A417 WeakPolarHBondContact CA-O 3.35Å; I407-A417 HydrophobicContact CG2-CB 4.05Å; I407-L418 HydrophobicContact CG1-CD2 4.42Å; I407-T429 PolarHBondContact N-O 2.98Å; I407-T429 WeakPolarHBondContact O-CB 3.32Å; I407-W432 HydrophobicContact CD1-CH2 3.73Å; I407-W432 HydrophobicContact CD1-CZ2 4.04Å; I407-W432 HydrophobicContact CD1-CZ3 4.21Å; I407-W432 HydrophobicContact CG1-CH2 3.77Å; I407-W432 HydrophobicContact CG1-CZ2 3.78Å; I407-T442 HydrophobicContact CD1-CG2 3.38Å; I407-L457 HydrophobicContact CB-CD1 4.45Å; I407-L457 HydrophobicContact CD1-CD1 3.76Å; I407-L457 HydrophobicContact CD1-CD2 4.43Å; I407-L457 HydrophobicContact CG1-CD1 3.98Å; I407-L457 HydrophobicContact CG2-CD1 3.61Å
408A77.1Confident74.6Confident28 Ų2868.3 Ų68.323%0.23135%0.353CS..SBendtrans-70.4-38.9179.100000112.4A417 Q419A408-A417 PolarHBondContact N-O 3.35Å; A408-Q419 HydrophobicContact CB-CG 4.1Å
409H67.8Low74.5Confident137 Ų13771.5 Ų71.563%0.63437%0.368SS*.  trans-147.3137.7178.8-58-65000110.4I407 H411I407-H409 WeakPolarHBondContact CG2-O 3.31Å; H409-H411 PolarHBondContact O-N 3.41Å
410E58.9Low74.6Confident95 Ų9570.5 Ų70.544%0.44436%0.356SS..SBendtrans-68.3-19.2179.3-69.6-168.415300113.6
411H54.4Low74.9Confident176 Ų17666.7 Ų66.782%0.81534%0.335SS*.  trans-99.493.3-177.6-63.2-59.3000112.3H409H409-H411 PolarHBondContact O-N 3.41Å
412T54.5Low75.5Confident23 Ų2369.6 Ų69.614%0.14135%0.348CS..  trans-141.572.5176.359.80000112.6K414 A417T412-K414 PolarHBondContact O-N 2.91Å; T412-A417 HydrophobicContact CG2-CB 3.4Å; T412-A417 VanDerWaalsContact CG2-CB 3.4Å; T412-A417 VanDerWaalsContact OG1-CB 3.26Å; T412-A417 WeakPolarHBondContact OG1-CB 3.49Å
413E52.2Low75.7Confident194 Ų19465.8 Ų65.891%0.90733%0.331SS*.SBendtrans-70.2-16.5160.4-69.1-170.7164.800111.7
414K49.2Very low75.1Confident208 Ų20864.1 Ų64.190%0.90433%0.33SS*.SBendtrans-141.477-176.3-64.2-176.6-178.8177.20112.1T412T412-K414 PolarHBondContact O-N 2.91Å
415G55.9Low74.1Confident40 Ų4073 Ų7341%0.41237%0.371SS..SBendtrans155.6161.4169.600000115A417G415-A417 PolarHBondContact O-N 2.96Å
416N63.6Low72.8Confident62 Ų6283.5 Ų83.533%0.33241%0.41SS..  trans-69.595.5171.9-79.9-12.3000109.4L418 L455N416-L418 PolarHBondContact O-N 3.01Å; N416-L455 PolarHBondContact OD1-O 3.43Å
417A74.9Confident72.2Confident3 Ų386 Ų863%0.02542%0.424CS..  trans-71.1-20.5176.700000113.3I407 A408 T412 G415 L457I407-A417 CarbonylContact C-O 3.6Å; I407-A417 WeakPolarHBondContact CA-O 3.35Å; I407-A417 HydrophobicContact CG2-CB 4.05Å; A408-A417 PolarHBondContact N-O 3.35Å; T412-A417 HydrophobicContact CG2-CB 3.4Å; T412-A417 VanDerWaalsContact CG2-CB 3.4Å; T412-A417 VanDerWaalsContact OG1-CB 3.26Å; T412-A417 WeakPolarHBondContact OG1-CB 3.49Å; G415-A417 PolarHBondContact O-N 2.96Å; A417-L457 HydrophobicContact CB-CD1 3.99Å; A417-L457 HydrophobicContact CB-CG 4.41Å
418L88.2Confident71.8Confident2 Ų288.2 Ų88.21%0.0144%0.443CS..EExtended strand (participates in β ladder)trans-86.4133.4-166.3-65.1159.1000111.3L405 G406 I407 N416 W432 L449 L455 V493L405-L418 HydrophobicContact CD1-CB 4.39Å; L405-L418 HydrophobicContact CD1-CD2 4.26Å; L405-L418 HydrophobicContact CG-CD2 4.5Å; G406-L418 WeakPolarHBondContact O-CA 3.23Å; I407-L418 HydrophobicContact CG1-CD2 4.42Å; N416-L418 PolarHBondContact O-N 3.01Å; L418-W432 HydrophobicContact CD2-CH2 3.7Å; L418-W432 HydrophobicContact CD2-CZ2 3.76Å; L418-L449 HydrophobicContact CD1-CD1 3.27Å; L418-L449 HydrophobicContact CD2-CD1 4.08Å; L418-L449 HydrophobicContact CG-CD1 4.2Å; L418-L455 HydrophobicContact CD1-CD1 4.19Å; L418-L455 HydrophobicContact CD1-CD2 3.43Å; L418-L455 VanDerWaalsContact CD1-CD2 3.43Å; L418-L455 HydrophobicContact CD1-CG 3.48Å; L418-L455 VanDerWaalsContact CD1-CG 3.48Å; L418-V493 HydrophobicContact CB-CB 3.89Å; L418-V493 HydrophobicContact CB-CG1 4.15Å; L418-V493 HydrophobicContact CB-CG2 4.49Å
419Q88.2Confident72.2Confident76 Ų7688.9 Ų88.936%0.35545%0.445SS..EExtended strand (participates in β ladder)trans-139.8160.3176.6-67.1-172.115.100110.9G406 A408 L421G406-Q419 PolarHBondContact N-O 3.24Å; G406-Q419 PolarHBondContact O-N 3.35Å; A408-Q419 HydrophobicContact CB-CG 4.1Å; Q419-L421 HydrophobicContact CB-CD2 4.04Å; Q419-L421 HydrophobicContact CB-CG 4.42Å
420L90Very high73Confident24 Ų2482.5 Ų82.513%0.12642%0.415CS..EExtended strand (participates in β ladder)trans-89.8101.6165.9-66.1-179.3000108.4T398 R403 C404 L488 V493 L504 F506T398-L420 HydrophobicContact CG2-CD1 4.2Å; T398-L420 HydrophobicContact CG2-CD2 3.77Å; R403-L420 HydrophobicContact CB-CB 3.91Å; R403-L420 HydrophobicContact CG-CB 4.43Å; R403-L420 PolarHBondContact NH1-O 2.95Å; C404-L420 CarbonylContact O-C 3.46Å; C404-L420 WeakPolarHBondContact O-CA 3.3Å; L420-L488 HydrophobicContact CD1-CD1 4.22Å; L420-V493 HydrophobicContact CD2-CG2 4.41Å; L420-V493 HydrophobicContact CG-CG2 4.05Å; L420-L504 HydrophobicContact CD1-CD1 4.28Å; L420-L504 HydrophobicContact CD1-CD2 3.96Å; L420-L504 HydrophobicContact CD2-CD1 4.26Å; L420-F506 HydrophobicContact CD2-CE1 4.37Å
421L88.9Confident74.5Confident34 Ų3478.7 Ų78.718%0.17840%0.399CS..EExtended strand (participates in β ladder)trans-93.7163.7-179.2-59.4179.6000111.1R403 C404 Q419R403-L421 CarbonylContact C-O 3.56Å; R403-L421 VanDerWaalsContact CA-O 3.25Å; R403-L421 WeakPolarHBondContact CA-O 3.3Å; R403-L421 WeakPolarHBondContact CB-O 3.23Å; C404-L421 PolarHBondContact N-O 3.35Å; C404-L421 PolarHBondContact O-N 3.16Å; Q419-L421 HydrophobicContact CB-CD2 4.04Å; Q419-L421 HydrophobicContact CB-CG 4.42Å
422P88.2Confident76.3Confident90 Ų9070.3 Ų70.358%0.58436%0.36SS*.  trans-55.3141.2164.7-22.834.5000111.1E424P422-E424 PolarHBondContact O-N 2.94Å; P422-E424 VanDerWaalsContact O-N 3.12Å
423C85.5Confident78Confident45 Ų4569.9 Ų69.930%0.30436%0.357SS..  trans-7894.9175.3-66.90000110R403 C404R403-C423 PolarHBondContact O-SG 3.42Å; C404-C423 HydrophobicContact CB-CB 4.08Å; C404-C423 WeakPolarHBondContact CB-SG 3.49Å; C404-C423 PolarHBondContact N-SG 3.32Å; C404-C423 VanDerWaalsContact SG-CA 3.56Å; C404-C423 WeakPolarHBondContact SG-CB 3.47Å; C404-C423 CovalentContact SG-SG 2.05Å; C404-C423 PolarHBondContact SG-SG 3.38Å
424E79.6Confident80Confident104 Ų10462 Ų6249%0.48632%0.32SS..  trans-99.7138.4173.5-67.6177.417000110.3Q395 P422 R426 N427Q395-E424 PolarHBondContact NE2-O 2.86Å; P422-E424 PolarHBondContact O-N 2.94Å; P422-E424 VanDerWaalsContact O-N 3.12Å; E424-R426 PolarHBondContact O-N 2.82Å; E424-N427 HydrophobicContact CB-CB 4.27Å; E424-N427 PolarHBondContact OE2-ND2 3.33Å
425Q68.5Low81.9Confident187 Ų18752.2 Ų52.287%0.87428%0.277SS*.THydrogen-bonded Turntrans-70129173.5-70.7-174.4-7.600109.9
426R65.9Low83.4Confident219 Ų21955.1 Ų55.183%0.82628%0.283SS*.THydrogen-bonded Turntrans65.439.8174.9-59.8-179.3171.4179.3-3.2116.5E424E424-R426 PolarHBondContact O-N 2.82Å
427N77.3Confident84.4Confident53 Ų5353.3 Ų53.328%0.28328%0.277SS..  trans-101.7120.7169.1-168.8-17.3000111.1E424 T429 S430 T431E424-N427 HydrophobicContact CB-CB 4.27Å; E424-N427 PolarHBondContact OE2-ND2 3.33Å; N427-T429 VanDerWaalsContact CG-OG1 3.29Å; N427-T429 PolarHBondContact ND2-OG1 3.48Å; N427-T429 PolarHBondContact O-N 2.76Å; N427-T429 PolarHBondContact OD1-N 2.57Å; N427-T429 PolarHBondContact OD1-OG1 3.24Å; N427-S430 PolarHBondContact O-N 3.42Å; N427-S430 PolarHBondContact O-OG 2.92Å; N427-T431 PolarHBondContact O-N 2.99Å; N427-T431 PolarHBondContact O-OG1 2.8Å; N427-T431 VanDerWaalsContact O-OG1 3.09Å
428A79.6Confident85.2Confident52 Ų5256.5 Ų56.543%0.4329%0.29SS..THydrogen-bonded Turntrans-54.1-27.8-17800000113.7S430 A443A428-S430 VanDerWaalsContact C-N 3.35Å; A428-A443 HydrophobicContact CB-CB 3.92Å; A428-A443 WeakPolarHBondContact O-CB 3.1Å
429T84.2Confident85.5Confident43 Ų4356.5 Ų56.526%0.26429%0.29SS..THydrogen-bonded Turntrans-76.4-19.4178.859.60000113.8G406 I407 N427G406-T429 CarbonylContact C-O 3.6Å; G406-T429 WeakPolarHBondContact CA-O 3.3Å; I407-T429 PolarHBondContact N-O 2.98Å; I407-T429 WeakPolarHBondContact O-CB 3.32Å; N427-T429 VanDerWaalsContact CG-OG1 3.29Å; N427-T429 PolarHBondContact ND2-OG1 3.48Å; N427-T429 PolarHBondContact O-N 2.76Å; N427-T429 PolarHBondContact OD1-N 2.57Å; N427-T429 PolarHBondContact OD1-OG1 3.24Å
430S86.4Confident85.7Confident2 Ų252.9 Ų52.91%0.01427%0.273CS..THydrogen-bonded Turntrans-111.9-2.7-176.372.60000113.5Q395 N427 A428Q395-S430 VanDerWaalsContact CG-O 3.27Å; Q395-S430 WeakPolarHBondContact CG-O 3.46Å; Q395-S430 PolarHBondContact NE2-OG 2.79Å; N427-S430 PolarHBondContact O-N 3.42Å; N427-S430 PolarHBondContact O-OG 2.92Å; A428-S430 VanDerWaalsContact C-N 3.35Å
431T89.5Confident85.8Confident16 Ų1652.7 Ų52.710%0.09827%0.271CS..EExtended strand (participates in β ladder)trans-106.3136.9-176.1-58.40000110.7I393 N427 I511I393-T431 HydrophobicContact CG2-CG2 3.19Å; N427-T431 PolarHBondContact O-N 2.99Å; N427-T431 PolarHBondContact O-OG1 2.8Å; N427-T431 VanDerWaalsContact O-OG1 3.09Å; T431-I511 HydrophobicContact CG2-CD1 4.07Å
432W91.8Very high85.8Confident0 Ų051.2 Ų51.20%026%0.263CS..EExtended strand (participates in β ladder)trans-123.7137.9-179-60.685.6000110.6I394 L405 I407 L418 L440 R441 T442 L449 L457I394-W432 HydrophobicContact CG1-CB 4.15Å; I394-W432 PolarHBondContact N-O 2.79Å; I394-W432 PolarHBondContact O-N 3.02Å; L405-W432 HydrophobicContact CD2-CZ2 4.37Å; L405-W432 HydrophobicContact CG-CZ2 4.28Å; L405-W432 PolarHBondContact O-NE1 2.78Å; I407-W432 HydrophobicContact CD1-CH2 3.73Å; I407-W432 HydrophobicContact CD1-CZ2 4.04Å; I407-W432 HydrophobicContact CD1-CZ3 4.21Å; I407-W432 HydrophobicContact CG1-CH2 3.77Å; I407-W432 HydrophobicContact CG1-CZ2 3.78Å; L418-W432 HydrophobicContact CD2-CH2 3.7Å; L418-W432 HydrophobicContact CD2-CZ2 3.76Å; W432-L440 HydrophobicContact CB-CD2 3.97Å; W432-L440 HydrophobicContact CD2-CB 4.35Å; W432-L440 HydrophobicContact CE3-CB 3.75Å; W432-L440 HydrophobicContact CG-CD2 4.31Å; W432-L440 HydrophobicContact CZ3-CB 4.21Å; W432-R441 CarbonylContact C-O 3.39Å; W432-R441 WeakPolarHBondContact CA-O 3.42Å; W432-T442 HydrophobicContact CZ3-CG2 4.19Å; W432-L449 HydrophobicContact CH2-CB 4.47Å; W432-L449 HydrophobicContact CZ3-CB 4.13Å; W432-L457 HydrophobicContact CH2-CD2 3.99Å; W432-L457 HydrophobicContact CZ3-CD2 4.06Å
433S91.3Very high85.4Confident13 Ų1349.3 Ų49.39%0.09126%0.255CS..EExtended strand (participates in β ladder)trans-85.8108.6163.4-70.60000108.4Y391 K392 R441Y391-S433 VanDerWaalsContact CD2-CB 3.49Å; Y391-S433 VanDerWaalsContact CD2-OG 3.25Å; Y391-S433 WeakPolarHBondContact CD2-OG 3.21Å; Y391-S433 VanDerWaalsContact CE2-OG 3.29Å; Y391-S433 WeakPolarHBondContact CE2-OG 3.48Å; K392-S433 CarbonylContact O-C 3.49Å; K392-S433 WeakPolarHBondContact O-CA 3.46Å; S433-R441 PolarHBondContact N-O 3.04Å; S433-R441 WeakPolarHBondContact O-CB 3.19Å; S433-R441 PolarHBondContact O-N 2.73Å
434Y92.8Very high84.9Confident30 Ų3049.6 Ų49.612%0.11826%0.257CS..EExtended strand (participates in β ladder)trans-90.6110.7174.3-175.2-117.8000110.5Y391 K392 I394 K438 Q439 L440 W469 F471Y391-Y434 CarbonylContact C-O 3.59Å; Y391-Y434 VanDerWaalsContact CA-O 3.22Å; Y391-Y434 WeakPolarHBondContact CA-O 3.48Å; Y391-Y434 WeakPolarHBondContact CB-O 3.45Å; K392-Y434 PolarHBondContact N-O 3.08Å; K392-Y434 PolarHBondContact O-N 2.8Å; I394-Y434 HydrophobicContact CD1-CG 4.11Å; Y434-K438 HydrophobicContact CE1-CD 4.43Å; Y434-K438 HydrophobicContact CE2-CB 4.32Å; Y434-K438 WeakPolarHBondContact OH-CD 3.48Å; Y434-Q439 VanDerWaalsContact CA-O 3.32Å; Y434-Q439 WeakPolarHBondContact CA-O 3.48Å; Y434-Q439 WeakPolarHBondContact CD2-O 3.27Å; Y434-L440 HydrophobicContact CD2-CD2 3.85Å; Y434-L440 HydrophobicContact CD2-CG 4.24Å; Y434-L440 HydrophobicContact CG-CD2 4.5Å; Y434-W469 PolarHBondContact OH-O 3.25Å; Y434-W469 VanDerWaalsContact OH-O 3.13Å; Y434-F471 HydrophobicContact CD1-CE2 4.33Å; Y434-F471 HydrophobicContact CD2-CE2 4.07Å; Y434-F471 HydrophobicContact CE1-CD2 4.27Å; Y434-F471 HydrophobicContact CE1-CE2 4.01Å; Y434-F471 HydrophobicContact CE2-CD2 4.35Å; Y434-F471 AromaticContact CE2-CE2 3.74Å; Y434-F471 HydrophobicContact CE2-CE2 3.74Å; Y434-F471 HydrophobicContact CG-CE2 4.34Å; Y434-F471 AromaticContact CZ-CD2 3.91Å; Y434-F471 AromaticContact CZ-CE2 3.68Å
435T90.2Very high84.7Confident2 Ų245.9 Ų45.91%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-86.5161.9-172.770.90000112.1A437 K438 Q439T435-A437 PolarHBondContact O-N 2.86Å; T435-A437 PolarHBondContact OG1-N 3.5Å; T435-K438 WeakPolarHBondContact O-CA 3.38Å; T435-K438 PolarHBondContact O-N 3.29Å; T435-Q439 HydrophobicContact CG2-CB 4.34Å; T435-Q439 PolarHBondContact N-O 3.18Å; T435-Q439 WeakPolarHBondContact OG1-CB 3.34Å; T435-Q439 PolarHBondContact OG1-N 3.12Å; T435-Q439 VanDerWaalsContact OG1-N 3.14Å
436D87.1Confident85.3Confident100 Ų10042.7 Ų42.754%0.53524%0.236SC..THydrogen-bonded Turntrans-59.3-29.8171.6-76.9-22.2000113.1P390 K438P390-D436 WeakPolarHBondContact CB-OD2 3.49Å; P390-D436 WeakPolarHBondContact CD-OD2 3.38Å; P390-D436 WeakPolarHBondContact CG-OD2 3.49Å; P390-D436 PolarHBondContact O-N 3.08Å; P390-D436 VanDerWaalsContact O-N 3.1Å; D436-K438 PolarHBondContact O-N 3.15Å; D436-K438 VanDerWaalsContact O-N 3.12Å; D436-K438 PolarHBondContact O-NZ 3.06Å
437A85.3Confident86.4Confident24 Ų2434.3 Ų34.320%0.19821%0.208CC..THydrogen-bonded Turntrans-71.98.4170.800000113.8T435 Q439 I462T435-A437 PolarHBondContact O-N 2.86Å; T435-A437 PolarHBondContact OG1-N 3.5Å; A437-Q439 VanDerWaalsContact C-N 3.27Å; A437-Q439 HydrophobicContact CB-CG 4.35Å; A437-Q439 PolarHBondContact O-N 2.92Å; A437-I462 HydrophobicContact CB-CG2 4.09Å
438K91.7Very high87Confident70 Ų7031.8 Ų31.830%0.30419%0.194SC..  trans65.825.6177-46.7-68.2168.3-101.20113.4Y434 T435 D436 Q468 W469 Y470Y434-K438 HydrophobicContact CE1-CD 4.43Å; Y434-K438 HydrophobicContact CE2-CB 4.32Å; Y434-K438 WeakPolarHBondContact OH-CD 3.48Å; T435-K438 WeakPolarHBondContact O-CA 3.38Å; T435-K438 PolarHBondContact O-N 3.29Å; D436-K438 PolarHBondContact O-N 3.15Å; D436-K438 VanDerWaalsContact O-N 3.12Å; D436-K438 PolarHBondContact O-NZ 3.06Å; K438-Q468 HydrophobicContact CB-CB 4.36Å; K438-Q468 CarbonylContact O-C 3.48Å; K438-Q468 WeakPolarHBondContact O-CA 3.44Å; K438-W469 PolarHBondContact O-N 2.97Å; K438-Y470 HydrophobicContact CG-CE1 4.06Å
439Q92.8Very high87.6Confident2 Ų229.3 Ų29.31%0.00917%0.174CC..  trans-90.1142177.3-57.6172.8-49.900110.9Y434 T435 A437 N461 Q467Y434-Q439 VanDerWaalsContact CA-O 3.32Å; Y434-Q439 WeakPolarHBondContact CA-O 3.48Å; Y434-Q439 WeakPolarHBondContact CD2-O 3.27Å; T435-Q439 HydrophobicContact CG2-CB 4.34Å; T435-Q439 PolarHBondContact N-O 3.18Å; T435-Q439 WeakPolarHBondContact OG1-CB 3.34Å; T435-Q439 PolarHBondContact OG1-N 3.12Å; T435-Q439 VanDerWaalsContact OG1-N 3.14Å; A437-Q439 VanDerWaalsContact C-N 3.27Å; A437-Q439 HydrophobicContact CB-CG 4.35Å; A437-Q439 PolarHBondContact O-N 2.92Å; Q439-N461 PolarHBondContact NE2-O 2.87Å; Q439-Q467 WeakPolarHBondContact CA-O 3.34Å; Q439-Q467 HydrophobicContact CG-CB 4.36Å
440L93.6Very high87.9Confident0 Ų027.4 Ų27.40%016%0.162CC..EExtended strand (participates in β ladder)trans-9696.6166-73.6169.3000108.5I394 L396 W432 Y434 C448 L449 W469 L477I394-L440 HydrophobicContact CD1-CD2 3.99Å; L396-L440 HydrophobicContact CD1-CD1 3.98Å; L396-L440 HydrophobicContact CD1-CD2 4.02Å; W432-L440 HydrophobicContact CB-CD2 3.97Å; W432-L440 HydrophobicContact CD2-CB 4.35Å; W432-L440 HydrophobicContact CE3-CB 3.75Å; W432-L440 HydrophobicContact CG-CD2 4.31Å; W432-L440 HydrophobicContact CZ3-CB 4.21Å; Y434-L440 HydrophobicContact CD2-CD2 3.85Å; Y434-L440 HydrophobicContact CD2-CG 4.24Å; Y434-L440 HydrophobicContact CG-CD2 4.5Å; L440-C448 WeakPolarHBondContact O-CA 3.37Å; L440-L449 HydrophobicContact CB-CB 3.99Å; L440-L449 HydrophobicContact CD1-CD2 3.87Å; L440-L449 PolarHBondContact O-N 2.8Å; L440-W469 HydrophobicContact CD1-CB 4.04Å; L440-W469 HydrophobicContact CD1-CG 4Å; L440-W469 HydrophobicContact CG-CB 4.38Å; L440-W469 HydrophobicContact CG-CG 4.47Å; L440-L477 HydrophobicContact CD1-CD1 4.34Å; L440-L477 HydrophobicContact CD1-CD2 3.59Å
441R91.1Very high88.1Confident20 Ų2027.8 Ų27.88%0.07516%0.164CC..EExtended strand (participates in β ladder)trans-92.3137.4-179.5-179.1-175.1-68.8-172.57.3110T387 W432 S433 G445 L447T387-R441 PolarHBondContact O-NH1 2.95Å; W432-R441 CarbonylContact C-O 3.39Å; W432-R441 WeakPolarHBondContact CA-O 3.42Å; S433-R441 PolarHBondContact N-O 3.04Å; S433-R441 WeakPolarHBondContact O-CB 3.19Å; S433-R441 PolarHBondContact O-N 2.73Å; R441-G445 WeakPolarHBondContact CD-O 3.24Å; R441-L447 CarbonylContact C-O 3.56Å; R441-L447 WeakPolarHBondContact CA-O 3.5Å
442T88.6Confident87.5Confident4 Ų431.6 Ų31.63%0.02518%0.181CC..EExtended strand (participates in β ladder)trans-62.1156.8173.962.80000111.2I407 W432 S444 G445 L447 L457I407-T442 HydrophobicContact CD1-CG2 3.38Å; W432-T442 HydrophobicContact CZ3-CG2 4.19Å; T442-S444 PolarHBondContact O-N 3.2Å; T442-S444 VanDerWaalsContact O-N 3.14Å; T442-S444 PolarHBondContact OG1-OG 3.42Å; T442-G445 PolarHBondContact O-N 2.6Å; T442-L447 HydrophobicContact CG2-CB 3.86Å; T442-L447 WeakPolarHBondContact CG2-O 3.42Å; T442-L447 PolarHBondContact N-O 3.25Å; T442-L447 PolarHBondContact OG1-O 3.15Å; T442-L457 HydrophobicContact CG2-CD1 4.08Å; T442-L457 HydrophobicContact CG2-CD2 3.79Å
443A81Confident86.6Confident49 Ų4942.2 Ų42.241%0.40522%0.221SC..THydrogen-bonded Turntrans-56.3-29.4177.200000113.6A428 G445A428-A443 HydrophobicContact CB-CB 3.92Å; A428-A443 WeakPolarHBondContact O-CB 3.1Å; A443-G445 PolarHBondContact O-N 3.36Å
444S74.4Confident86Confident51 Ų5147 Ų4736%0.35725%0.245SC..THydrogen-bonded Turntrans-62.8-17.9174.276.20000114.3T442 N446T442-S444 PolarHBondContact O-N 3.2Å; T442-S444 VanDerWaalsContact O-N 3.14Å; T442-S444 PolarHBondContact OG1-OG 3.42Å; S444-N446 VanDerWaalsContact C-N 3.28Å; S444-N446 PolarHBondContact O-N 3.21Å; S444-N446 PolarHBondContact OG-N 3.06Å
445G76.2Confident85.8Confident27 Ų2745.9 Ų45.928%0.27824%0.241SC..SBendtrans83.7-14.1179.500000115.7R441 T442 A443R441-G445 WeakPolarHBondContact CD-O 3.24Å; T442-G445 PolarHBondContact O-N 2.6Å; A443-G445 PolarHBondContact O-N 3.36Å
446N80.2Confident85.7Confident119 Ų11946.4 Ų46.464%0.63624%0.244SC*.SBendtrans-97-29.2-168.8-68.9-35.2000114.4S444 C460S444-N446 VanDerWaalsContact C-N 3.28Å; S444-N446 PolarHBondContact O-N 3.21Å; S444-N446 PolarHBondContact OG-N 3.06Å; N446-C460 PolarHBondContact O-N 2.95Å
447L88.4Confident85.8Confident44 Ų4442 Ų4223%0.2322%0.221CC..EExtended strand (participates in β ladder)trans-111143-175.4-59177.5000111.4R441 T442 L457 R458R441-L447 CarbonylContact C-O 3.56Å; R441-L447 WeakPolarHBondContact CA-O 3.5Å; T442-L447 HydrophobicContact CG2-CB 3.86Å; T442-L447 WeakPolarHBondContact CG2-O 3.42Å; T442-L447 PolarHBondContact N-O 3.25Å; T442-L447 PolarHBondContact OG1-O 3.15Å; L447-L457 HydrophobicContact CB-CB 4.26Å; L447-L457 HydrophobicContact CD1-CB 4.24Å; L447-R458 CarbonylContact C-O 3.48Å; L447-R458 VanDerWaalsContact CA-O 3.27Å; L447-R458 WeakPolarHBondContact CA-O 3.46Å
448C90.9Very high85.9Confident0 Ų046.1 Ų46.10%023%0.231CC..EExtended strand (participates in β ladder)trans-122.5147.7177.3-77.60000110.1L440 D450 L457 R458 C460 Q467L440-C448 WeakPolarHBondContact O-CA 3.37Å; C448-D450 PolarHBondContact O-N 2.87Å; C448-L457 WeakPolarHBondContact O-CA 3.48Å; C448-R458 PolarHBondContact N-O 2.95Å; C448-R458 PolarHBondContact O-N 3.21Å; C448-C460 HydrophobicContact CB-CB 3.99Å; C448-C460 WeakPolarHBondContact CB-SG 3.27Å; C448-C460 PolarHBondContact N-SG 2.77Å; C448-C460 VanDerWaalsContact N-SG 3.38Å; C448-C460 WeakPolarHBondContact SG-CB 3.42Å; C448-C460 CovalentContact SG-SG 2.04Å; C448-C460 PolarHBondContact SG-SG 2.87Å; C448-Q467 HydrophobicContact CB-CG 4.43Å
449L92.5Very high85.7Confident0 Ų050 Ų500%025%0.248CC..EExtended strand (participates in β ladder)trans-66123.7172.7-178.661.3000110.2L418 W432 L440 L455 Q467 W469L418-L449 HydrophobicContact CD1-CD1 3.27Å; L418-L449 HydrophobicContact CD2-CD1 4.08Å; L418-L449 HydrophobicContact CG-CD1 4.2Å; W432-L449 HydrophobicContact CH2-CB 4.47Å; W432-L449 HydrophobicContact CZ3-CB 4.13Å; L440-L449 HydrophobicContact CB-CB 3.99Å; L440-L449 HydrophobicContact CD1-CD2 3.87Å; L440-L449 PolarHBondContact O-N 2.8Å; L449-L455 HydrophobicContact CD1-CD1 3.76Å; L449-L455 HydrophobicContact CD1-CG 4.21Å; L449-L455 HydrophobicContact CG-CD1 4.31Å; L449-Q467 WeakPolarHBondContact O-CA 3.46Å; L449-W469 HydrophobicContact CD1-CZ2 4.34Å; L449-W469 HydrophobicContact CD2-CD2 3.99Å; L449-W469 HydrophobicContact CD2-CH2 4.12Å; L449-W469 HydrophobicContact CD2-CZ2 3.62Å; L449-W469 HydrophobicContact CG-CD2 4.49Å; L449-W469 HydrophobicContact CG-CH2 4.33Å; L449-W469 HydrophobicContact CG-CZ2 3.48Å; L449-W469 VanDerWaalsContact CG-CZ2 3.48Å; L449-W469 PolarHBondContact O-NE1 2.7Å
450D91Very high85.3Confident2 Ų251.2 Ų51.21%0.01126%0.256CS..EExtended strand (participates in β ladder)trans-130.6141.3-168.8-168-67.7000111.3C448 E452 L455 S456 R458 Q467C448-D450 PolarHBondContact O-N 2.87Å; D450-E452 VanDerWaalsContact OD1-CB 3.23Å; D450-E452 WeakPolarHBondContact OD1-CB 3.48Å; D450-E452 PolarHBondContact OD1-N 3.38Å; D450-L455 WeakPolarHBondContact O-CA 3.35Å; D450-S456 PolarHBondContact N-O 3.44Å; D450-S456 PolarHBondContact O-N 3.44Å; D450-R458 HydrophobicContact CB-CB 4.02Å; D450-R458 HydrophobicContact CB-CG 3.98Å; D450-R458 IonicContact OD1-NE 3.2Å; D450-Q467 HydrophobicContact CB-CG 3.98Å; D450-Q467 WeakPolarHBondContact OD2-CG 3.49Å; D450-Q467 PolarHBondContact OD2-NE2 3.04Å
451S89.6Confident84.8Confident10 Ų1054.9 Ų54.97%0.0728%0.276CS..  trans-115.45.6-176.861.90000114.7R453 A466 N479S451-R453 PolarHBondContact O-N 2.93Å; S451-A466 PolarHBondContact N-O 3.47Å; S451-A466 VanDerWaalsContact N-O 3.1Å; S451-A466 WeakPolarHBondContact OG-CA 3.35Å; S451-A466 PolarHBondContact OG-O 2.82Å; S451-N479 PolarHBondContact OG-ND2 3.02Å; S451-N479 VanDerWaalsContact OG-ND2 3.17Å; S451-N479 PolarHBondContact OG-OD1 3.47Å
452E77.6Confident84Confident97 Ų9757.6 Ų57.645%0.45329%0.291SS..SBendtrans-64.8-10.8-162.2-167.9171.8175.500115.1D450 A466D450-E452 VanDerWaalsContact OD1-CB 3.23Å; D450-E452 WeakPolarHBondContact OD1-CB 3.48Å; D450-E452 PolarHBondContact OD1-N 3.38Å; E452-A466 HydrophobicContact CB-CB 3.78Å; E452-A466 HydrophobicContact CG-CB 4.42Å
453R71.3Confident83.3Confident223 Ų22365.3 Ų65.384%0.84233%0.327SS*.SBendtrans-155.4-48.7170-63.2-172.9-177.1178.40.7111.8S451S451-R453 PolarHBondContact O-N 2.93Å
454I80.1Confident83.2Confident113 Ų11363.7 Ų63.758%0.57931%0.313SS*.SBendtrans-135.5140178.2-51.1171.3000104.8S456I454-S456 PolarHBondContact O-N 3.22Å; I454-S456 PolarHBondContact O-OG 3.02Å
455L87.8Confident83.6Confident7 Ų761.7 Ų61.74%0.03730%0.299CS..SBendtrans-58.2113175.7-171.769.5000109.7N416 L418 L449 D450 W469 L486 V493 L495N416-L455 PolarHBondContact OD1-O 3.43Å; L418-L455 HydrophobicContact CD1-CD1 4.19Å; L418-L455 HydrophobicContact CD1-CD2 3.43Å; L418-L455 VanDerWaalsContact CD1-CD2 3.43Å; L418-L455 HydrophobicContact CD1-CG 3.48Å; L418-L455 VanDerWaalsContact CD1-CG 3.48Å; L449-L455 HydrophobicContact CD1-CD1 3.76Å; L449-L455 HydrophobicContact CD1-CG 4.21Å; L449-L455 HydrophobicContact CG-CD1 4.31Å; D450-L455 WeakPolarHBondContact O-CA 3.35Å; L455-W469 HydrophobicContact CD1-CH2 3.48Å; L455-W469 VanDerWaalsContact CD1-CH2 3.48Å; L455-W469 HydrophobicContact CD1-CZ2 3.76Å; L455-L486 HydrophobicContact CD1-CD1 4.18Å; L455-L486 HydrophobicContact CD2-CD1 3.46Å; L455-L486 VanDerWaalsContact CD2-CD1 3.46Å; L455-L486 HydrophobicContact CG-CD1 4.46Å; L455-V493 HydrophobicContact CD2-CG1 4.11Å; L455-L495 HydrophobicContact CB-CD1 4.47Å; L455-L495 HydrophobicContact CB-CG 4.43Å; L455-L495 HydrophobicContact CD1-CD1 4.25Å; L455-L495 HydrophobicContact CD1-CD2 4.4Å; L455-L495 HydrophobicContact CD1-CG 4.17Å
456S89.1Confident84.2Confident12 Ų1260.4 Ų60.48%0.08429%0.286CS..EExtended strand (participates in β ladder)trans-152.7171.5-171.152.60000111.8D450 I454D450-S456 PolarHBondContact N-O 3.44Å; D450-S456 PolarHBondContact O-N 3.44Å; I454-S456 PolarHBondContact O-N 3.22Å; I454-S456 PolarHBondContact O-OG 3.02Å
457L89.3Confident84.8Confident8 Ų855 Ų554%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-98.9126.6171-67173.3000109.2I407 A417 W432 T442 L447 C448I407-L457 HydrophobicContact CB-CD1 4.45Å; I407-L457 HydrophobicContact CD1-CD1 3.76Å; I407-L457 HydrophobicContact CD1-CD2 4.43Å; I407-L457 HydrophobicContact CG1-CD1 3.98Å; I407-L457 HydrophobicContact CG2-CD1 3.61Å; A417-L457 HydrophobicContact CB-CD1 3.99Å; A417-L457 HydrophobicContact CB-CG 4.41Å; W432-L457 HydrophobicContact CH2-CD2 3.99Å; W432-L457 HydrophobicContact CZ3-CD2 4.06Å; T442-L457 HydrophobicContact CG2-CD1 4.08Å; T442-L457 HydrophobicContact CG2-CD2 3.79Å; L447-L457 HydrophobicContact CB-CB 4.26Å; L447-L457 HydrophobicContact CD1-CB 4.24Å; C448-L457 WeakPolarHBondContact O-CA 3.48Å
458R87.4Confident84.9Confident110 Ų11055 Ų5542%0.41526%0.255SS..EExtended strand (participates in β ladder)trans-133164.6179.1-66.6-173.4-178.5-100.7-11110.8L447 C448 D450 C460L447-R458 CarbonylContact C-O 3.48Å; L447-R458 VanDerWaalsContact CA-O 3.27Å; L447-R458 WeakPolarHBondContact CA-O 3.46Å; C448-R458 PolarHBondContact N-O 2.95Å; C448-R458 PolarHBondContact O-N 3.21Å; D450-R458 HydrophobicContact CB-CB 4.02Å; D450-R458 HydrophobicContact CB-CG 3.98Å; D450-R458 IonicContact OD1-NE 3.2Å; R458-C460 PolarHBondContact O-N 3.1Å
459K86.4Confident85.1Confident152 Ų15255 Ų5566%0.66126%0.255SS*.EExtended strand (participates in β ladder)trans-52.4132.6172.4-171.5177.4-179.5-1790109.8N461 Q467K459-N461 PolarHBondContact O-N 3.37Å; K459-Q467 PolarHBondContact O-NE2 3.42Å
460C85.3Confident85.1Confident27 Ų2757.2 Ų57.218%0.18226%0.264CS..  trans-61.2129.5179.5-65.80000111.3N446 C448 R458N446-C460 PolarHBondContact O-N 2.95Å; C448-C460 HydrophobicContact CB-CB 3.99Å; C448-C460 WeakPolarHBondContact CB-SG 3.27Å; C448-C460 PolarHBondContact N-SG 2.77Å; C448-C460 VanDerWaalsContact N-SG 3.38Å; C448-C460 WeakPolarHBondContact SG-CB 3.42Å; C448-C460 CovalentContact SG-SG 2.04Å; C448-C460 PolarHBondContact SG-SG 2.87Å; R458-C460 PolarHBondContact O-N 3.1Å
461N81.6Confident85.2Confident77 Ų7759 Ų5941%0.41227%0.272SS..  trans-131.3113.4172.2179.32.6000108.6Q439 K459 E463 S464 Q467Q439-N461 PolarHBondContact NE2-O 2.87Å; K459-N461 PolarHBondContact O-N 3.37Å; N461-E463 PolarHBondContact O-N 3.36Å; N461-E463 PolarHBondContact OD1-N 2.9Å; N461-S464 WeakPolarHBondContact O-CB 3.31Å; N461-S464 PolarHBondContact O-N 3.45Å; N461-S464 VanDerWaalsContact O-N 3.08Å; N461-Q467 PolarHBondContact O-OE1 3.42Å
462I76.3Confident85.2Confident77 Ų7760.5 Ų60.540%0.39528%0.277SS..THydrogen-bonded Turntrans-61.9-29.1-177.6-65.3170.1000111.6T387 A437 S464T387-I462 HydrophobicContact CG2-CD1 4.42Å; A437-I462 HydrophobicContact CB-CG2 4.09Å; I462-S464 VanDerWaalsContact C-N 3.32Å
463E72.3Confident85.7Confident167 Ų16766 Ų6678%0.7830%0.303SS*.THydrogen-bonded Turntrans-82.2-9.3179.7-58.2-178.3166.200113.1N461 S465N461-E463 PolarHBondContact O-N 3.36Å; N461-E463 PolarHBondContact OD1-N 2.9Å; E463-S465 PolarHBondContact O-N 2.92Å
464S80.6Confident86.6Confident15 Ų1558.9 Ų58.911%0.10528%0.282CS..  trans-81106.5-177.8-1770000111.6N461 I462 A466 Q467N461-S464 WeakPolarHBondContact O-CB 3.31Å; N461-S464 PolarHBondContact O-N 3.45Å; N461-S464 VanDerWaalsContact O-N 3.08Å; I462-S464 VanDerWaalsContact C-N 3.32Å; S464-A466 PolarHBondContact O-N 3.28Å; S464-A466 VanDerWaalsContact O-N 3.17Å; S464-A466 PolarHBondContact OG-N 3.01Å; S464-Q467 PolarHBondContact O-N 3.45Å
465S82.7Confident87.1Confident9 Ų954.1 Ų54.16%0.06326%0.261CS..G310 helixtrans-54.5-29.116859.30000112.7D212 K297 E463 Q467 Q468D212-S465 WeakPolarHBondContact OD2-CB 3.12Å; D212-S465 PolarHBondContact OD2-OG 2.97Å; K297-S465 PolarHBondContact NZ-OG 2.9Å; E463-S465 PolarHBondContact O-N 2.92Å; S465-Q467 PolarHBondContact O-N 3.13Å; S465-Q468 PolarHBondContact O-N 3.31Å; S465-Q468 VanDerWaalsContact O-N 3.15Å
466A87.8Confident87.4Confident0 Ų054.3 Ų54.30%026%0.261CS..G310 helixtrans-68.7-16.6177.400000113.8S451 E452 S464 N479 A481S451-A466 PolarHBondContact N-O 3.47Å; S451-A466 VanDerWaalsContact N-O 3.1Å; S451-A466 WeakPolarHBondContact OG-CA 3.35Å; S451-A466 PolarHBondContact OG-O 2.82Å; E452-A466 HydrophobicContact CB-CB 3.78Å; E452-A466 HydrophobicContact CG-CB 4.42Å; S464-A466 PolarHBondContact O-N 3.28Å; S464-A466 VanDerWaalsContact O-N 3.17Å; S464-A466 PolarHBondContact OG-N 3.01Å; A466-N479 PolarHBondContact O-ND2 3.27Å; A466-A481 VanDerWaalsContact CA-CB 3.47Å; A466-A481 HydrophobicContact CB-CB 3.98Å
467Q92Very high87.7Confident4 Ų453.7 Ų53.72%0.01926%0.257CS..G310 helixtrans-101.33.5174.9-61.4-176.20.400113.1Q439 C448 L449 D450 K459 N461 S464 S465 W469Q439-Q467 WeakPolarHBondContact CA-O 3.34Å; Q439-Q467 HydrophobicContact CG-CB 4.36Å; C448-Q467 HydrophobicContact CB-CG 4.43Å; L449-Q467 WeakPolarHBondContact O-CA 3.46Å; D450-Q467 HydrophobicContact CB-CG 3.98Å; D450-Q467 WeakPolarHBondContact OD2-CG 3.49Å; D450-Q467 PolarHBondContact OD2-NE2 3.04Å; K459-Q467 PolarHBondContact O-NE2 3.42Å; N461-Q467 PolarHBondContact O-OE1 3.42Å; S464-Q467 PolarHBondContact O-N 3.45Å; S465-Q467 PolarHBondContact O-N 3.13Å; Q467-W469 VanDerWaalsContact O-CD1 3.27Å
468Q91.8Very high87.9Confident44 Ų4453.4 Ų53.421%0.20626%0.256CS..  trans-93116.7177.8-63.6-179.2-15.300111.2K438 S465 Y470 N479K438-Q468 HydrophobicContact CB-CB 4.36Å; K438-Q468 CarbonylContact O-C 3.48Å; K438-Q468 WeakPolarHBondContact O-CA 3.44Å; S465-Q468 PolarHBondContact O-N 3.31Å; S465-Q468 VanDerWaalsContact O-N 3.15Å; Q468-Y470 HydrophobicContact CB-CE2 3.78Å; Q468-Y470 PolarHBondContact OE1-OH 2.83Å; Q468-Y470 VanDerWaalsContact OE1-OH 3.11Å; Q468-N479 PolarHBondContact O-ND2 3.25Å
469W94Very high88.2Confident0 Ų048.2 Ų48.20%024%0.236CC..EExtended strand (participates in β ladder)trans-115.7127.7-177.7-62.890.2000110.6Y434 K438 L440 L449 L455 Q467 L477 N479 L486 L495Y434-W469 PolarHBondContact OH-O 3.25Å; Y434-W469 VanDerWaalsContact OH-O 3.13Å; K438-W469 PolarHBondContact O-N 2.97Å; L440-W469 HydrophobicContact CD1-CB 4.04Å; L440-W469 HydrophobicContact CD1-CG 4Å; L440-W469 HydrophobicContact CG-CB 4.38Å; L440-W469 HydrophobicContact CG-CG 4.47Å; L449-W469 HydrophobicContact CD1-CZ2 4.34Å; L449-W469 HydrophobicContact CD2-CD2 3.99Å; L449-W469 HydrophobicContact CD2-CH2 4.12Å; L449-W469 HydrophobicContact CD2-CZ2 3.62Å; L449-W469 HydrophobicContact CG-CD2 4.49Å; L449-W469 HydrophobicContact CG-CH2 4.33Å; L449-W469 HydrophobicContact CG-CZ2 3.48Å; L449-W469 VanDerWaalsContact CG-CZ2 3.48Å; L449-W469 PolarHBondContact O-NE1 2.7Å; L455-W469 HydrophobicContact CD1-CH2 3.48Å; L455-W469 VanDerWaalsContact CD1-CH2 3.48Å; L455-W469 HydrophobicContact CD1-CZ2 3.76Å; Q467-W469 VanDerWaalsContact O-CD1 3.27Å; W469-L477 HydrophobicContact CB-CD1 3.89Å; W469-L477 HydrophobicContact CB-CG 4.27Å; W469-L477 HydrophobicContact CD2-CD2 4.48Å; W469-L477 HydrophobicContact CD2-CG 4.48Å; W469-L477 HydrophobicContact CE3-CD2 4.04Å; W469-L477 HydrophobicContact CE3-CG 3.83Å; W469-N479 HydrophobicContact CD2-CB 4.25Å; W469-N479 HydrophobicContact CE3-CB 3.71Å; W469-N479 HydrophobicContact CH2-CB 3.92Å; W469-N479 HydrophobicContact CZ2-CB 4.35Å; W469-N479 HydrophobicContact CZ3-CB 3.57Å; W469-L486 HydrophobicContact CH2-CD1 4.5Å; W469-L486 HydrophobicContact CZ3-CD1 4.45Å; W469-L495 HydrophobicContact CH2-CD2 3.87Å; W469-L495 HydrophobicContact CZ3-CD2 4.02Å
470Y93Very high88.1Confident48 Ų4841.9 Ų41.919%0.18821%0.209CC..EExtended strand (participates in β ladder)trans-115.7119.8-174.2-62.6-92.6000109.9K438 Q468 Q472 Y478 K480K438-Y470 HydrophobicContact CG-CE1 4.06Å; Q468-Y470 HydrophobicContact CB-CE2 3.78Å; Q468-Y470 PolarHBondContact OE1-OH 2.83Å; Q468-Y470 VanDerWaalsContact OE1-OH 3.11Å; Y470-Q472 PolarHBondContact O-N 2.05Å; Y470-Y478 PolarHBondContact N-O 3.44Å; Y470-Y478 PolarHBondContact O-N 3.01Å; Y470-K480 HydrophobicContact CD2-CD 4.09Å; Y470-K480 HydrophobicContact CD2-CG 3.8Å; Y470-K480 HydrophobicContact CE1-CD 4.49Å; Y470-K480 HydrophobicContact CE2-CB 4.17Å; Y470-K480 HydrophobicContact CE2-CD 3.33Å; Y470-K480 VanDerWaalsContact CE2-CE 3.48Å; Y470-K480 HydrophobicContact CE2-CG 3.47Å; Y470-K480 VanDerWaalsContact CE2-CG 3.47Å; Y470-K480 WeakPolarHBondContact OH-CE 3.41Å; Y470-K480 PolarHBondContact OH-NZ 3.43Å
471F92.5Very high88.1Confident40 Ų4041.2 Ų41.218%0.17521%0.205CC..EExtended strand (participates in β ladder)trans-72.1119.8169.4-63-83.7000109.8I394 L396 Y434 L477 Q508I394-F471 HydrophobicContact CD1-CE2 4.3Å; I394-F471 HydrophobicContact CD1-CZ 3.92Å; L396-F471 HydrophobicContact CD1-CZ 4.47Å; L396-F471 HydrophobicContact CD2-CE1 3.49Å; L396-F471 VanDerWaalsContact CD2-CE1 3.49Å; L396-F471 HydrophobicContact CD2-CZ 3.58Å; Y434-F471 HydrophobicContact CD1-CE2 4.33Å; Y434-F471 HydrophobicContact CD2-CE2 4.07Å; Y434-F471 HydrophobicContact CE1-CD2 4.27Å; Y434-F471 HydrophobicContact CE1-CE2 4.01Å; Y434-F471 HydrophobicContact CE2-CD2 4.35Å; Y434-F471 AromaticContact CE2-CE2 3.74Å; Y434-F471 HydrophobicContact CE2-CE2 3.74Å; Y434-F471 HydrophobicContact CG-CE2 4.34Å; Y434-F471 AromaticContact CZ-CD2 3.91Å; Y434-F471 AromaticContact CZ-CE2 3.68Å; F471-L477 HydrophobicContact CD1-CD1 3.72Å; F471-L477 HydrophobicContact CD2-CD1 4.34Å; F471-L477 HydrophobicContact CE1-CD1 3.47Å; F471-L477 VanDerWaalsContact CE1-CD1 3.47Å; F471-L477 HydrophobicContact CE2-CD1 4.12Å; F471-L477 HydrophobicContact CG-CD1 4.13Å; F471-L477 HydrophobicContact CZ-CD1 3.67Å; F471-Q508 HydrophobicContact CD1-CG 3.89Å; F471-Q508 VanDerWaalsContact CD2-NE2 3.26Å; F471-Q508 HydrophobicContact CE1-CG 3.61Å; F471-Q508 HydrophobicContact CE2-CG 4.34Å; F471-Q508 HydrophobicContact CG-CG 4.37Å; F471-Q508 HydrophobicContact CZ-CG 3.88Å
472Q90.3Very high88.4Confident40 Ų4038.4 Ų38.419%0.18719%0.192CC..  trans-81.7161172.2-56-64.4-75.900110Y470 D474 G475 Q476Y470-Q472 PolarHBondContact O-N 2.05Å; Q472-D474 WeakPolarHBondContact CB-OD1 3.28Å; Q472-D474 PolarHBondContact O-N 3.46Å; Q472-G475 PolarHBondContact O-N 3.47Å; Q472-Q476 HydrophobicContact CB-CB 4.09Å; Q472-Q476 HydrophobicContact CG-CB 4.05Å; Q472-Q476 PolarHBondContact N-O 2.83Å
473E88Confident88.8Confident212 Ų21234.7 Ų34.799%0.99117%0.173SC*.THydrogen-bonded Turntrans-57.9-31.9180-65.8-179.117300113.1G475E473-G475 PolarHBondContact O-N 2.79Å
474D89.4Confident89.7Confident74 Ų7427.9 Ų27.940%0.39614%0.143SC..THydrogen-bonded Turntrans-84.99.617877.8-30.3000113.7Q472 Q476 R505Q472-D474 WeakPolarHBondContact CB-OD1 3.28Å; Q472-D474 PolarHBondContact O-N 3.46Å; D474-Q476 VanDerWaalsContact C-N 3.32Å; D474-Q476 WeakPolarHBondContact OD1-CB 3.36Å; D474-Q476 WeakPolarHBondContact OD1-CG 3.16Å; D474-Q476 PolarHBondContact OD1-N 3.02Å; D474-Q476 WeakPolarHBondContact OD2-CG 3.46Å; D474-Q476 PolarHBondContact OD2-NE2 3.38Å; D474-R505 VanDerWaalsContact O-CD 3.25Å; D474-R505 WeakPolarHBondContact O-CD 3.45Å; D474-R505 WeakPolarHBondContact O-CG 3.32Å; D474-R505 IonicContact OD2-NE 3.27Å; D474-R505 PolarHBondContact OD2-NE 3.26Å; D474-R505 IonicContact OD2-NH2 3.61Å
475G91.8Very high90.3Very high14 Ų1427.1 Ų27.114%0.14414%0.138CC..SBendtrans82.22.2179.400000114.6Q472 E473 R505 F506Q472-G475 PolarHBondContact O-N 3.47Å; E473-G475 PolarHBondContact O-N 2.79Å; G475-R505 CarbonylContact O-C 3.57Å; G475-R505 WeakPolarHBondContact O-CA 3.26Å; G475-F506 PolarHBondContact O-N 3.35Å
476Q94.1Very high90.9Very high10 Ų1026.7 Ų26.75%0.04714%0.135CC..BIsolated β-bridgetrans-66142.2174.3-67.1178.716.100111.2Q472 D474 C485 C498 V503 R505Q472-Q476 HydrophobicContact CB-CB 4.09Å; Q472-Q476 HydrophobicContact CG-CB 4.05Å; Q472-Q476 PolarHBondContact N-O 2.83Å; D474-Q476 VanDerWaalsContact C-N 3.32Å; D474-Q476 WeakPolarHBondContact OD1-CB 3.36Å; D474-Q476 WeakPolarHBondContact OD1-CG 3.16Å; D474-Q476 PolarHBondContact OD1-N 3.02Å; D474-Q476 WeakPolarHBondContact OD2-CG 3.46Å; D474-Q476 PolarHBondContact OD2-NE2 3.38Å; Q476-C485 PolarHBondContact OE1-SG 3.42Å; Q476-C498 PolarHBondContact NE2-O 3.14Å; Q476-C498 PolarHBondContact OE1-O 3.49Å; Q476-V503 HydrophobicContact CB-CG1 4.38Å; Q476-V503 HydrophobicContact CG-CG1 3.71Å; Q476-R505 HydrophobicContact CG-CG 4.18Å
477L94.5Very high91.1Very high0 Ų026.7 Ų26.70%014%0.135CC..EExtended strand (participates in β ladder)trans-98.7101.8173.3-169.365.5000109.5L396 L440 W469 F471 C485 L486 F506L396-L477 HydrophobicContact CD1-CD2 4.37Å; L440-L477 HydrophobicContact CD1-CD1 4.34Å; L440-L477 HydrophobicContact CD1-CD2 3.59Å; W469-L477 HydrophobicContact CB-CD1 3.89Å; W469-L477 HydrophobicContact CB-CG 4.27Å; W469-L477 HydrophobicContact CD2-CD2 4.48Å; W469-L477 HydrophobicContact CD2-CG 4.48Å; W469-L477 HydrophobicContact CE3-CD2 4.04Å; W469-L477 HydrophobicContact CE3-CG 3.83Å; F471-L477 HydrophobicContact CD1-CD1 3.72Å; F471-L477 HydrophobicContact CD2-CD1 4.34Å; F471-L477 HydrophobicContact CE1-CD1 3.47Å; F471-L477 VanDerWaalsContact CE1-CD1 3.47Å; F471-L477 HydrophobicContact CE2-CD1 4.12Å; F471-L477 HydrophobicContact CG-CD1 4.13Å; F471-L477 HydrophobicContact CZ-CD1 3.67Å; L477-C485 WeakPolarHBondContact O-CA 3.12Å; L477-L486 HydrophobicContact CB-CB 4.18Å; L477-L486 HydrophobicContact CD2-CB 4.49Å; L477-L486 HydrophobicContact CD2-CD2 4.15Å; L477-L486 PolarHBondContact O-N 3.34Å; L477-F506 HydrophobicContact CB-CD2 4.11Å; L477-F506 HydrophobicContact CB-CE2 4.3Å
478Y93.8Very high91Very high2 Ų229.8 Ų29.81%0.00815%0.151CC..EExtended strand (participates in β ladder)trans-98.8137.7-173.7172.6-114.1000111.9S10 K14 Y470 K480 T484S10-Y478 WeakPolarHBondContact O-CE1 3.16Å; S10-Y478 PolarHBondContact O-OH 3.15Å; K14-Y478 HydrophobicContact CB-CE2 4.38Å; K14-Y478 HydrophobicContact CG-CE2 4.27Å; Y470-Y478 PolarHBondContact N-O 3.44Å; Y470-Y478 PolarHBondContact O-N 3.01Å; Y478-K480 HydrophobicContact CD1-CG 4.34Å; Y478-K480 HydrophobicContact CE1-CB 4.37Å; Y478-K480 HydrophobicContact CE1-CG 3.68Å; Y478-T484 VanDerWaalsContact CD2-O 3.3Å; Y478-T484 WeakPolarHBondContact CD2-O 3.13Å
479N93.2Very high90.5Very high0 Ų029.4 Ų29.40%015%0.153CC..EExtended strand (participates in β ladder)trans-112.4121.6172.5-173.9-73.3000110.4S451 A466 Q468 W469 A481 A482 G483 T484S451-N479 PolarHBondContact OG-ND2 3.02Å; S451-N479 VanDerWaalsContact OG-ND2 3.17Å; S451-N479 PolarHBondContact OG-OD1 3.47Å; A466-N479 PolarHBondContact O-ND2 3.27Å; Q468-N479 PolarHBondContact O-ND2 3.25Å; W469-N479 HydrophobicContact CD2-CB 4.25Å; W469-N479 HydrophobicContact CE3-CB 3.71Å; W469-N479 HydrophobicContact CH2-CB 3.92Å; W469-N479 HydrophobicContact CZ2-CB 4.35Å; W469-N479 HydrophobicContact CZ3-CB 3.57Å; N479-A481 WeakPolarHBondContact OD1-CA 3.31Å; N479-A481 WeakPolarHBondContact OD1-CB 3.18Å; N479-A481 PolarHBondContact OD1-N 2.82Å; N479-A482 HydrophobicContact CB-CB 4.04Å; N479-A482 PolarHBondContact O-N 3.48Å; N479-A482 PolarHBondContact OD1-N 2.84Å; N479-G483 WeakPolarHBondContact O-CA 3.25Å; N479-G483 PolarHBondContact O-N 2.92Å; N479-T484 PolarHBondContact N-O 3.12Å
480K85.2Confident89.8Confident20 Ų2038.1 Ų38.19%0.08719%0.194CC..THydrogen-bonded Turntrans-65-41.5-178.3-76.5-178.2-179.5-174.60112.8T213 E215 Y470 Y478 A482 G483T213-K480 HydrophobicContact CG2-CB 4.01Å; T213-K480 HydrophobicContact CG2-CD 3.77Å; T213-K480 HydrophobicContact CG2-CG 4.27Å; E215-K480 IonicContact OE2-NZ 3.98Å; Y470-K480 HydrophobicContact CD2-CD 4.09Å; Y470-K480 HydrophobicContact CD2-CG 3.8Å; Y470-K480 HydrophobicContact CE1-CD 4.49Å; Y470-K480 HydrophobicContact CE2-CB 4.17Å; Y470-K480 HydrophobicContact CE2-CD 3.33Å; Y470-K480 VanDerWaalsContact CE2-CE 3.48Å; Y470-K480 HydrophobicContact CE2-CG 3.47Å; Y470-K480 VanDerWaalsContact CE2-CG 3.47Å; Y470-K480 WeakPolarHBondContact OH-CE 3.41Å; Y470-K480 PolarHBondContact OH-NZ 3.43Å; Y478-K480 HydrophobicContact CD1-CG 4.34Å; Y478-K480 HydrophobicContact CE1-CB 4.37Å; Y478-K480 HydrophobicContact CE1-CG 3.68Å; K480-A482 VanDerWaalsContact C-N 3.31Å; K480-A482 PolarHBondContact O-N 3.48Å; K480-G483 PolarHBondContact O-N 2.82Å
481A85.1Confident89.3Confident13 Ų1338.8 Ų38.811%0.10722%0.216CC..THydrogen-bonded Turntrans-71.7-24.6-17900000113.4R24 D212 A466 N479R24-A481 PolarHBondContact NH2-O 3.45Å; D212-A481 WeakPolarHBondContact OD2-CB 3.21Å; A466-A481 VanDerWaalsContact CA-CB 3.47Å; A466-A481 HydrophobicContact CB-CB 3.98Å; N479-A481 WeakPolarHBondContact OD1-CA 3.31Å; N479-A481 WeakPolarHBondContact OD1-CB 3.18Å; N479-A481 PolarHBondContact OD1-N 2.82Å
482A87.2Confident88.9Confident17 Ų1743.4 Ų43.414%0.1423%0.232CC..THydrogen-bonded Turntrans-88.6-30.2170.900000112R24 N479 K480 T484 L495R24-A482 VanDerWaalsContact CZ-O 3.29Å; R24-A482 PolarHBondContact NE-O 3.31Å; R24-A482 PolarHBondContact NH2-O 2.72Å; N479-A482 HydrophobicContact CB-CB 4.04Å; N479-A482 PolarHBondContact O-N 3.48Å; N479-A482 PolarHBondContact OD1-N 2.84Å; K480-A482 VanDerWaalsContact C-N 3.31Å; K480-A482 PolarHBondContact O-N 3.48Å; A482-T484 WeakPolarHBondContact CB-OG1 3.06Å; A482-T484 PolarHBondContact O-N 3.34Å; A482-L495 HydrophobicContact CB-CD1 3.93Å
483G85.4Confident88.9Confident0 Ų041.6 Ų41.60%022%0.224CC..THydrogen-bonded Turntrans71.415.2-173.300000113.2V15 N479 K480V15-G483 PolarHBondContact N-O 3.24Å; N479-G483 WeakPolarHBondContact O-CA 3.25Å; N479-G483 PolarHBondContact O-N 2.92Å; K480-G483 PolarHBondContact O-N 2.82Å
484T91.8Very high89Confident23 Ų2332 Ų3214%0.14118%0.182CC..EExtended strand (participates in β ladder)trans-132.9170.8-171.450.10000110.8Y478 N479 A482 E496 C498Y478-T484 VanDerWaalsContact CD2-O 3.3Å; Y478-T484 WeakPolarHBondContact CD2-O 3.13Å; N479-T484 PolarHBondContact N-O 3.12Å; A482-T484 WeakPolarHBondContact CB-OG1 3.06Å; A482-T484 PolarHBondContact O-N 3.34Å; T484-E496 WeakPolarHBondContact CB-O 3.47Å; T484-C498 VanDerWaalsContact C-SG 3.59Å
485C93.2Very high89Confident0 Ų030.8 Ų30.80%018%0.175CC..EExtended strand (participates in β ladder)trans-115.1155.1-178.9-700000110.9Q476 L477 A487 L495 E496 C498 V503Q476-C485 PolarHBondContact OE1-SG 3.42Å; L477-C485 WeakPolarHBondContact O-CA 3.12Å; C485-A487 PolarHBondContact O-N 3.3Å; C485-L495 WeakPolarHBondContact O-CA 3.16Å; C485-E496 PolarHBondContact N-O 3.42Å; C485-E496 PolarHBondContact O-N 3.12Å; C485-C498 HydrophobicContact CB-CB 3.94Å; C485-C498 WeakPolarHBondContact CB-SG 3.19Å; C485-C498 PolarHBondContact N-SG 3.2Å; C485-C498 WeakPolarHBondContact SG-CB 3.07Å; C485-C498 CovalentContact SG-SG 2.05Å; C485-C498 PolarHBondContact SG-SG 3.32Å; C485-V503 HydrophobicContact CB-CG1 3.7Å; C485-V503 HydrophobicContact CB-CG2 4.38Å
486L94Very high89Confident0 Ų032.3 Ų32.30%018%0.179CC..EExtended strand (participates in β ladder)trans-62.4130.6172.7-158.575.3000110.1L405 L455 W469 L477 V493 G494 L504 F506L405-L486 HydrophobicContact CD1-CD2 3.89Å; L405-L486 HydrophobicContact CD2-CD2 3.56Å; L405-L486 HydrophobicContact CG-CD2 4.35Å; L455-L486 HydrophobicContact CD1-CD1 4.18Å; L455-L486 HydrophobicContact CD2-CD1 3.46Å; L455-L486 VanDerWaalsContact CD2-CD1 3.46Å; L455-L486 HydrophobicContact CG-CD1 4.46Å; W469-L486 HydrophobicContact CH2-CD1 4.5Å; W469-L486 HydrophobicContact CZ3-CD1 4.45Å; L477-L486 HydrophobicContact CB-CB 4.18Å; L477-L486 HydrophobicContact CD2-CB 4.49Å; L477-L486 HydrophobicContact CD2-CD2 4.15Å; L477-L486 PolarHBondContact O-N 3.34Å; L486-V493 HydrophobicContact CD1-CG1 3.61Å; L486-V493 HydrophobicContact CD2-CG1 3.79Å; L486-V493 HydrophobicContact CG-CG1 3.65Å; L486-G494 WeakPolarHBondContact CA-O 3.42Å; L486-L504 PolarHBondContact O-N 3.05Å; L486-F506 HydrophobicContact CB-CE2 4.38Å; L486-F506 HydrophobicContact CD2-CE2 3.72Å; L486-F506 HydrophobicContact CD2-CZ 3.7Å
487A93Very high88.7Confident0 Ų033.8 Ų33.80%019%0.186CC..EExtended strand (participates in β ladder)trans-144163.4-174.100000111.8C485 V493 G494 E496 N502 V503C485-A487 PolarHBondContact O-N 3.3Å; A487-V493 WeakPolarHBondContact O-CA 3.19Å; A487-G494 PolarHBondContact N-O 2.99Å; A487-G494 PolarHBondContact O-N 3.4Å; A487-E496 HydrophobicContact CB-CB 3.48Å; A487-E496 VanDerWaalsContact CB-CB 3.48Å; A487-E496 HydrophobicContact CB-CG 3.46Å; A487-E496 VanDerWaalsContact CB-CG 3.46Å; A487-N502 WeakPolarHBondContact CA-O 3.35Å; A487-N502 WeakPolarHBondContact CB-O 3.49Å; A487-V503 HydrophobicContact CB-CG2 4.34Å
488L89.8Confident88.4Confident69 Ų6934.1 Ų34.136%0.36119%0.188SC..EExtended strand (participates in β ladder)trans-97.4104.6171-169.972.7000109.1L420 W492 N502 L504L420-L488 HydrophobicContact CD1-CD1 4.22Å; L488-W492 WeakPolarHBondContact CA-O 3.35Å; L488-N502 PolarHBondContact N-O 3.49Å; L488-N502 WeakPolarHBondContact O-CB 3.25Å; L488-L504 HydrophobicContact CB-CD1 4.48Å; L488-L504 HydrophobicContact CB-CD2 4.21Å; L488-L504 HydrophobicContact CB-CG 4.39Å
489S82.1Confident88.1Confident35 Ų3538.4 Ų38.425%0.24522%0.215CC..EExtended strand (participates in β ladder)trans-116.8124179.8-156.30000109.3G491 W492 E496S489-G491 PolarHBondContact O-N 2.97Å; S489-G491 VanDerWaalsContact O-N 3.1Å; S489-W492 PolarHBondContact N-O 3.43Å; S489-W492 PolarHBondContact O-N 3.38Å; S489-W492 VanDerWaalsContact O-O 3.08Å; S489-E496 WeakPolarHBondContact CB-OE1 3.42Å; S489-E496 PolarHBondContact OG-OE1 3.45Å
490E79.3Confident87.8Confident184 Ų18440.8 Ų40.886%0.8623%0.227SC*.THydrogen-bonded Turntrans51.734.7179.4-57.4-174.6167.400114.9W492E490-W492 VanDerWaalsContact C-N 3.31Å; E490-W492 PolarHBondContact O-N 3.3Å
491G80.6Confident87.9Confident62 Ų6249.2 Ų49.264%0.63926%0.264SS*.THydrogen-bonded Turntrans84.9-4.2-179.600000115.1S489S489-G491 PolarHBondContact O-N 2.97Å; S489-G491 VanDerWaalsContact O-N 3.1Å
492W84.9Confident88.2Confident136 Ų13652.6 Ų52.652%0.51528%0.28SS..EExtended strand (participates in β ladder)trans-110.2151.2178.2-52.794.5000111.2L488 S489 E490 G494L488-W492 WeakPolarHBondContact CA-O 3.35Å; S489-W492 PolarHBondContact N-O 3.43Å; S489-W492 PolarHBondContact O-N 3.38Å; S489-W492 VanDerWaalsContact O-O 3.08Å; E490-W492 VanDerWaalsContact C-N 3.31Å; E490-W492 PolarHBondContact O-N 3.3Å; W492-G494 PolarHBondContact O-N 3.27Å
493V90.1Very high88.5Confident2 Ų252.2 Ų52.21%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-75.3122.7169.7-178.40000108L405 L418 L420 L455 L486 A487 L504L405-V493 HydrophobicContact CD1-CG1 3.93Å; L405-V493 HydrophobicContact CD1-CG2 4.2Å; L418-V493 HydrophobicContact CB-CB 3.89Å; L418-V493 HydrophobicContact CB-CG1 4.15Å; L418-V493 HydrophobicContact CB-CG2 4.49Å; L420-V493 HydrophobicContact CD2-CG2 4.41Å; L420-V493 HydrophobicContact CG-CG2 4.05Å; L455-V493 HydrophobicContact CD2-CG1 4.11Å; L486-V493 HydrophobicContact CD1-CG1 3.61Å; L486-V493 HydrophobicContact CD2-CG1 3.79Å; L486-V493 HydrophobicContact CG-CG1 3.65Å; A487-V493 WeakPolarHBondContact O-CA 3.19Å; V493-L504 HydrophobicContact CG1-CD1 4.4Å
494G90.6Very high88.9Confident12 Ų1253.2 Ų53.212%0.12428%0.281CS..EExtended strand (participates in β ladder)trans-143.4-160.5-177.100000112L486 A487 W492L486-G494 WeakPolarHBondContact CA-O 3.42Å; A487-G494 PolarHBondContact N-O 2.99Å; A487-G494 PolarHBondContact O-N 3.4Å; W492-G494 PolarHBondContact O-N 3.27Å
495L90.3Very high89Confident47 Ų4757.1 Ų57.125%0.24629%0.293CS..EExtended strand (participates in β ladder)trans-120.2130.2179.6-73.5173.8000110L455 W469 A482 C485L455-L495 HydrophobicContact CB-CD1 4.47Å; L455-L495 HydrophobicContact CB-CG 4.43Å; L455-L495 HydrophobicContact CD1-CD1 4.25Å; L455-L495 HydrophobicContact CD1-CD2 4.4Å; L455-L495 HydrophobicContact CD1-CG 4.17Å; W469-L495 HydrophobicContact CH2-CD2 3.87Å; W469-L495 HydrophobicContact CZ3-CD2 4.02Å; A482-L495 HydrophobicContact CB-CD1 3.93Å; C485-L495 WeakPolarHBondContact O-CA 3.16Å
496E90.7Very high89Confident47 Ų4757.5 Ų57.522%0.2230%0.295CS..EExtended strand (participates in β ladder)trans-136.4163178.7-70.9-75.1170.700110.6T484 C485 A487 S489 C498 N500T484-E496 WeakPolarHBondContact CB-O 3.47Å; C485-E496 PolarHBondContact N-O 3.42Å; C485-E496 PolarHBondContact O-N 3.12Å; A487-E496 HydrophobicContact CB-CB 3.48Å; A487-E496 VanDerWaalsContact CB-CB 3.48Å; A487-E496 HydrophobicContact CB-CG 3.46Å; A487-E496 VanDerWaalsContact CB-CG 3.46Å; S489-E496 WeakPolarHBondContact CB-OE1 3.42Å; S489-E496 PolarHBondContact OG-OE1 3.45Å; E496-C498 PolarHBondContact O-N 3.12Å; E496-N500 HydrophobicContact CB-CB 4.19Å; E496-N500 PolarHBondContact OE2-ND2 3.31Å
497M88.1Confident88.9Confident41 Ų4165.4 Ų65.420%0.20233%0.325CS..  trans-51.8132.9167.9-71.5-175.4-7900109.8V15 T499 N500 V503V15-M497 HydrophobicContact CB-CG 4.33Å; V15-M497 HydrophobicContact CG1-CG 3.77Å; V15-M497 HydrophobicContact CG1-SD 3.97Å; M497-T499 PolarHBondContact O-N 3.1Å; M497-N500 WeakPolarHBondContact O-CB 3.33Å; M497-N500 PolarHBondContact O-N 3.26Å; M497-V503 WeakPolarHBondContact O-CG2 3.34Å
498C88Confident88.7Confident6 Ų669.9 Ų69.94%0.04135%0.346CS..THydrogen-bonded Turntrans-61.9-13.7-178.5-61.50000114Q476 T484 C485 E496Q476-C498 PolarHBondContact NE2-O 3.14Å; Q476-C498 PolarHBondContact OE1-O 3.49Å; T484-C498 VanDerWaalsContact C-SG 3.59Å; C485-C498 HydrophobicContact CB-CB 3.94Å; C485-C498 WeakPolarHBondContact CB-SG 3.19Å; C485-C498 PolarHBondContact N-SG 3.2Å; C485-C498 WeakPolarHBondContact SG-CB 3.07Å; C485-C498 CovalentContact SG-SG 2.05Å; C485-C498 PolarHBondContact SG-SG 3.32Å; E496-C498 PolarHBondContact O-N 3.12Å
499T87.1Confident88.6Confident92 Ų9269.5 Ų69.556%0.56435%0.347SS*.THydrogen-bonded Turntrans-84.5-11.2173.550.60000113.3M497M497-T499 PolarHBondContact O-N 3.1Å
500N87.1Confident88.8Confident50 Ų5072.3 Ų72.327%0.26736%0.356SS..SBendtrans-69.6143.8-179-165.2-20000110.4E496 M497 N502 V503E496-N500 HydrophobicContact CB-CB 4.19Å; E496-N500 PolarHBondContact OE2-ND2 3.31Å; M497-N500 WeakPolarHBondContact O-CB 3.33Å; M497-N500 PolarHBondContact O-N 3.26Å; N500-N502 PolarHBondContact O-N 2.93Å; N500-N502 PolarHBondContact OD1-N 2.84Å; N500-V503 HydrophobicContact CB-CG2 4.14Å; N500-V503 WeakPolarHBondContact O-CB 3.32Å; N500-V503 WeakPolarHBondContact O-CG2 3.31Å; N500-V503 PolarHBondContact O-N 3.38Å
501K88.2Confident88.7Confident198 Ų19865.5 Ų65.586%0.86133%0.325SS*.THydrogen-bonded Turntrans-64.4-25.1180-66.9-177.4178.6179.40112.7V503K501-V503 VanDerWaalsContact C-N 3.27Å; K501-V503 PolarHBondContact O-N 3.48Å
502N90.9Very high88.1Confident84 Ų8472.5 Ų72.545%0.44935%0.346SS..THydrogen-bonded Turntrans-82.7-0.8-177.1-64.4-9.3000113.9A487 L488 N500 L504A487-N502 WeakPolarHBondContact CA-O 3.35Å; A487-N502 WeakPolarHBondContact CB-O 3.49Å; L488-N502 PolarHBondContact N-O 3.49Å; L488-N502 WeakPolarHBondContact O-CB 3.25Å; N500-N502 PolarHBondContact O-N 2.93Å; N500-N502 PolarHBondContact OD1-N 2.84Å; N502-L504 PolarHBondContact O-N 2.89Å
503V92.9Very high88.3Confident8 Ų869.3 Ų69.35%0.04834%0.338CS..BIsolated β-bridgetrans-64.3130.1179.8174.70000110.4Q476 C485 A487 M497 N500 K501Q476-V503 HydrophobicContact CB-CG1 4.38Å; Q476-V503 HydrophobicContact CG-CG1 3.71Å; C485-V503 HydrophobicContact CB-CG1 3.7Å; C485-V503 HydrophobicContact CB-CG2 4.38Å; A487-V503 HydrophobicContact CB-CG2 4.34Å; M497-V503 WeakPolarHBondContact O-CG2 3.34Å; N500-V503 HydrophobicContact CB-CG2 4.14Å; N500-V503 WeakPolarHBondContact O-CB 3.32Å; N500-V503 WeakPolarHBondContact O-CG2 3.31Å; N500-V503 PolarHBondContact O-N 3.38Å; K501-V503 VanDerWaalsContact C-N 3.27Å; K501-V503 PolarHBondContact O-N 3.48Å
504L93.8Very high88.2Confident21 Ų2172.8 Ų72.811%0.1136%0.355CS..  trans-80.1138.5179.7-66.2168.4000109.8T398 L420 L486 L488 V493 N502 F506T398-L504 HydrophobicContact CG2-CD2 4.46Å; L420-L504 HydrophobicContact CD1-CD1 4.28Å; L420-L504 HydrophobicContact CD1-CD2 3.96Å; L420-L504 HydrophobicContact CD2-CD1 4.26Å; L486-L504 PolarHBondContact O-N 3.05Å; L488-L504 HydrophobicContact CB-CD1 4.48Å; L488-L504 HydrophobicContact CB-CD2 4.21Å; L488-L504 HydrophobicContact CB-CG 4.39Å; V493-L504 HydrophobicContact CG1-CD1 4.4Å; N502-L504 PolarHBondContact O-N 2.89Å; L504-F506 HydrophobicContact CB-CD2 4.43Å; L504-F506 HydrophobicContact CB-CE2 3.5Å; L504-F506 HydrophobicContact CB-CZ 3.57Å; L504-F506 HydrophobicContact CD1-CE2 4.49Å; L504-F506 HydrophobicContact CD1-CZ 3.88Å; L504-F506 HydrophobicContact CG-CZ 4.3Å
505R94.4Very high88.1Confident105 Ų10576.2 Ų76.240%0.39637%0.368SS..BIsolated β-bridgetrans-114134.9172.2-67.9177.6177.682.61.7108.5T398 A399 D474 G475 Q476T398-R505 CarbonylContact C-O 3.55Å; T398-R505 WeakPolarHBondContact CA-O 3.4Å; A399-R505 HydrophobicContact CB-CB 3.84Å; A399-R505 PolarHBondContact N-O 3.17Å; D474-R505 VanDerWaalsContact O-CD 3.25Å; D474-R505 WeakPolarHBondContact O-CD 3.45Å; D474-R505 WeakPolarHBondContact O-CG 3.32Å; D474-R505 IonicContact OD2-NE 3.27Å; D474-R505 PolarHBondContact OD2-NE 3.26Å; D474-R505 IonicContact OD2-NH2 3.61Å; G475-R505 CarbonylContact O-C 3.57Å; G475-R505 WeakPolarHBondContact O-CA 3.26Å; Q476-R505 HydrophobicContact CG-CG 4.18Å
506F93.8Very high87.9Confident8 Ų877.9 Ų77.94%0.03538%0.375CS..EExtended strand (participates in β ladder)trans-119.7140.9-176.5-61-81.9000111.4L396 Q397 T398 L405 L420 G475 L477 L486 L504L396-F506 HydrophobicContact CB-CD1 3.86Å; L396-F506 HydrophobicContact CB-CE1 4.4Å; L396-F506 HydrophobicContact CB-CG 4.29Å; L396-F506 HydrophobicContact CD2-CB 4.47Å; L396-F506 WeakPolarHBondContact O-CD1 3.49Å; Q397-F506 CarbonylContact O-C 3.57Å; Q397-F506 WeakPolarHBondContact O-CA 3.47Å; T398-F506 HydrophobicContact CG2-CD1 4.36Å; T398-F506 HydrophobicContact CG2-CE1 3.92Å; L405-F506 HydrophobicContact CB-CE1 3.9Å; L405-F506 HydrophobicContact CB-CZ 4.31Å; L420-F506 HydrophobicContact CD2-CE1 4.37Å; G475-F506 PolarHBondContact O-N 3.35Å; L477-F506 HydrophobicContact CB-CD2 4.11Å; L477-F506 HydrophobicContact CB-CE2 4.3Å; L486-F506 HydrophobicContact CB-CE2 4.38Å; L486-F506 HydrophobicContact CD2-CE2 3.72Å; L486-F506 HydrophobicContact CD2-CZ 3.7Å; L504-F506 HydrophobicContact CB-CD2 4.43Å; L504-F506 HydrophobicContact CB-CE2 3.5Å; L504-F506 HydrophobicContact CB-CZ 3.57Å; L504-F506 HydrophobicContact CD1-CE2 4.49Å; L504-F506 HydrophobicContact CD1-CZ 3.88Å; L504-F506 HydrophobicContact CG-CZ 4.3Å
507R91.4Very high87.7Confident166 Ų16679.9 Ų79.963%0.62639%0.385SS*.EExtended strand (participates in β ladder)trans-94.4131.4158.4-65.3-178.5-177.7175.41.6107.4Q397Q397-R507 PolarHBondContact N-O 2.87Å; Q397-R507 VanDerWaalsContact N-O 3.12Å; Q397-R507 PolarHBondContact O-N 3.29Å
508Q88.6Confident87.7Confident94 Ų9482.5 Ų82.544%0.43940%0.397SS..EExtended strand (participates in β ladder)trans-85.1125.5173.9-67.3171.760.100108.5L396 F471L396-Q508 HydrophobicContact CD2-CG 4.02Å; F471-Q508 HydrophobicContact CD1-CG 3.89Å; F471-Q508 VanDerWaalsContact CD2-NE2 3.26Å; F471-Q508 HydrophobicContact CE1-CG 3.61Å; F471-Q508 HydrophobicContact CE2-CG 4.34Å; F471-Q508 HydrophobicContact CG-CG 4.37Å; F471-Q508 HydrophobicContact CZ-CG 3.88Å
509T87.6Confident87.7Confident62 Ų6287.9 Ų87.938%0.3842%0.423SS..EExtended strand (participates in β ladder)trans-111.4113168.5-53.80000107.6I394 Q395I394-T509 CarbonylContact C-O 3.56Å; I394-T509 WeakPolarHBondContact CA-O 3.47Å; Q395-T509 PolarHBondContact N-O 2.7Å; Q395-T509 PolarHBondContact O-N 2.83Å
510E85.9Confident87.8Confident93 Ų9387.6 Ų87.644%0.43541%0.412SS..EExtended strand (participates in β ladder)trans-72.8125.8172.3-168.8164.3171.800108.5K392K392-E510 IonicContact NZ-OE1 3.98Å; K392-E510 IonicContact NZ-OE2 3.27Å; K392-E510 PolarHBondContact NZ-OE2 2.84Å
511I79Confident87.8Confident41 Ų4190.8 Ų90.821%0.2142%0.424CS..  trans-95.9103.2177-53.9178000105.9I393 Q395 T431I393-I511 HydrophobicContact CB-CB 4.48Å; I393-I511 HydrophobicContact CG2-CB 3.99Å; I393-I511 HydrophobicContact CG2-CD1 4.33Å; I393-I511 PolarHBondContact O-N 3.37Å; Q395-I511 HydrophobicContact CB-CD1 4.21Å; Q395-I511 HydrophobicContact CG-CD1 4.33Å; T431-I511 HydrophobicContact CG2-CD1 4.07Å
512L67.4Low87.8Confident209 Ų20981 Ų81100%1.09438%0.384SS*.  trans-70.60177-67.9172.3000112.3

Retrieved 512 of 512 residues in 504.8 ms (Link to these results)

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