A0A077Z3I3_TRITR Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A077Z3I3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 342 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
1M28.2Very low41.3Very low239 Ų239107.7 Ų107.7100%1.17768%0.679SS**  096.90-74.3177.1-177.400108.9I3M1-I3 PolarHBondContact O-N 2.68Å
2Q21.4Very low44.8Very low186 Ų186104.1 Ų104.187%0.86967%0.666SS**  trans-72.5111.5164-79.3174.1-1600106.7S4Q2-S4 PolarHBondContact O-N 2.74Å
3I27.4Very low48Very low161 Ų161103 Ų10383%0.82665%0.651SS**  trans-75.388.2166.1-59176000105.5M1 A5M1-I3 PolarHBondContact O-N 2.68Å; I3-A5 PolarHBondContact O-N 3.34Å
4S25.1Very low50.9Low90 Ų9095.9 Ų95.963%0.62961%0.606SS**  trans-56.1115.9159.9-64.70000106.9Q2 V6Q2-S4 PolarHBondContact O-N 2.74Å; S4-V6 PolarHBondContact O-N 3.16Å
5A30.5Very low53.3Low84 Ų8494.1 Ų94.169%0.69459%0.591SS**  trans-68.584.9175.600000109.1I3I3-A5 PolarHBondContact O-N 3.34Å
6V31.5Very low55.3Low126 Ų12696.8 Ų96.876%0.76460%0.599SS**  trans-56.3132.8158.5177.40000107.3S4S4-V6 PolarHBondContact O-N 3.16Å
7G29.8Very low57Low73 Ų7393.6 Ų93.675%0.75358%0.576SS**SBendtrans-53.3142.7177.800000112.2
8G42.3Very low58.4Low62 Ų6293.3 Ų93.364%0.63958%0.576SS**SBendtrans95.389.5-17700000111.4S10G8-S10 VanDerWaalsContact C-N 3.25Å; G8-S10 PolarHBondContact O-N 3.01Å
9S59.6Low59.5Low42 Ų4291.3 Ų91.329%0.29458%0.575SS.*  trans-62.290.7166.6-49.40000108.5P32S9-P32 WeakPolarHBondContact CB-O 2.88Å; S9-P32 WeakPolarHBondContact O-CB 3.24Å; S9-P32 WeakPolarHBondContact O-CG 3.26Å; S9-P32 PolarHBondContact OG-O 3.45Å; S9-P32 VanDerWaalsContact OG-O 3.06Å
10S77.1Confident60.9Low56 Ų5687.3 Ų87.339%0.39255%0.55SS..  trans-68.3135.3176.4173.50000109.4G8 A12 L13G8-S10 VanDerWaalsContact C-N 3.25Å; G8-S10 PolarHBondContact O-N 3.01Å; S10-A12 PolarHBondContact O-N 3.46Å; S10-A12 PolarHBondContact OG-N 2.79Å; S10-L13 WeakPolarHBondContact O-CB 3.37Å; S10-L13 PolarHBondContact O-N 2.86Å
11P81.4Confident62.1Low66 Ų6684.8 Ų84.843%0.42954%0.54SS..THydrogen-bonded Turntrans-51.4-29.4172.4-26.833.9000113.2L13 C14 P32P11-L13 VanDerWaalsContact C-N 3.29Å; P11-L13 PolarHBondContact O-N 3.25Å; P11-C14 WeakPolarHBondContact O-CB 3.29Å; P11-C14 PolarHBondContact O-N 3.22Å; P11-P32 HydrophobicContact CG-CG 4.28Å
12A83.8Confident65.1Low64 Ų6484.1 Ų84.153%0.52953%0.525SS..THydrogen-bonded Turntrans-65.5-28.9177.700000113.3S10 C14 D15S10-A12 PolarHBondContact O-N 3.46Å; S10-A12 PolarHBondContact OG-N 2.79Å; A12-C14 PolarHBondContact O-N 3.18Å; A12-D15 PolarHBondContact O-N 3.45Å
13L86Confident68.5Low90 Ų9082.4 Ų82.447%0.47151%0.51SS..Hα-helixtrans-66.5-25.9177.7-68.8170.9000111.9S10 P11 D15 L16S10-L13 WeakPolarHBondContact O-CB 3.37Å; S10-L13 PolarHBondContact O-N 2.86Å; P11-L13 VanDerWaalsContact C-N 3.29Å; P11-L13 PolarHBondContact O-N 3.25Å; L13-D15 PolarHBondContact O-N 3.19Å; L13-L16 HydrophobicContact CD2-CD1 4.27Å; L13-L16 PolarHBondContact O-N 2.81Å; L13-L16 VanDerWaalsContact O-N 3.13Å
14C89Confident71.6Confident3 Ų375.6 Ų75.62%0.0248%0.475CS..Hα-helixtrans-58.6-29.3176.6-68.80000112.9P11 A12 L16 I17 C28 Q29P11-C14 WeakPolarHBondContact O-CB 3.29Å; P11-C14 PolarHBondContact O-N 3.22Å; A12-C14 PolarHBondContact O-N 3.18Å; C14-L16 VanDerWaalsContact C-N 3.28Å; C14-L16 PolarHBondContact O-N 2.78Å; C14-I17 PolarHBondContact O-N 3.37Å; C14-C28 WeakPolarHBondContact CA-SG 2.96Å; C14-C28 HydrophobicContact CB-CB 3.69Å; C14-C28 WeakPolarHBondContact CB-SG 3.28Å; C14-C28 WeakPolarHBondContact SG-CB 3.1Å; C14-C28 PolarHBondContact SG-O 2.86Å; C14-C28 CovalentContact SG-SG 2.02Å; C14-C28 PolarHBondContact SG-SG 3.43Å; C14-Q29 HydrophobicContact CB-CG 3.87Å; C14-Q29 PolarHBondContact SG-N 2.75Å; C14-Q29 VanDerWaalsContact SG-N 3.41Å
15D86.6Confident74.8Confident70 Ų7074.5 Ų74.537%0.37446%0.457SS..Hα-helixtrans-74.6-24.4-177.5-74.2-53.8000113.3A12 L13 R25 Q29A12-D15 PolarHBondContact O-N 3.45Å; L13-D15 PolarHBondContact O-N 3.19Å; D15-R25 VanDerWaalsContact C-NH1 3.33Å; D15-R25 VanDerWaalsContact O-CZ 3.28Å; D15-R25 PolarHBondContact O-NH1 3.2Å; D15-R25 PolarHBondContact O-NH2 3.24Å; D15-R25 VanDerWaalsContact OD1-CD 3.23Å; D15-R25 WeakPolarHBondContact OD1-CD 3.43Å; D15-R25 IonicContact OD1-CZ 3.84Å; D15-R25 IonicContact OD1-NE 3.85Å; D15-R25 IonicContact OD1-NH1 2.78Å; D15-R25 PolarHBondContact OD1-NH1 3.35Å; D15-Q29 PolarHBondContact OD1-NE2 3.12Å; D15-Q29 PolarHBondContact OD2-NE2 3.18Å; D15-Q29 VanDerWaalsContact OD2-NE2 3.09Å
16L85.7Confident77.8Confident137 Ų13779.7 Ų79.772%0.71746%0.459SS*.Hα-helixtrans-85.3-12.4179.9-56.9177.4000113.1L13 C14 P18L13-L16 HydrophobicContact CD2-CD1 4.27Å; L13-L16 PolarHBondContact O-N 2.81Å; L13-L16 VanDerWaalsContact O-N 3.13Å; C14-L16 VanDerWaalsContact C-N 3.28Å; C14-L16 PolarHBondContact O-N 2.78Å; L16-P18 WeakPolarHBondContact O-CD 3.4Å
17I84.1Confident80.7Confident42 Ų4274.9 Ų74.922%0.21543%0.428CS..SBendtrans-74.4114.2-177.5-56.7176.6000109.5C14 L20 R25 M35 F68C14-I17 PolarHBondContact O-N 3.37Å; I17-L20 HydrophobicContact CB-CD1 3.74Å; I17-L20 HydrophobicContact CB-CG 4.01Å; I17-L20 HydrophobicContact CD1-CD1 4.02Å; I17-L20 HydrophobicContact CG1-CD1 4.42Å; I17-L20 HydrophobicContact CG2-CD1 3.85Å; I17-L20 HydrophobicContact CG2-CD2 4.42Å; I17-L20 HydrophobicContact CG2-CG 3.72Å; I17-R25 PolarHBondContact O-NH2 2.69Å; I17-M35 HydrophobicContact CD1-CE 4Å; I17-F68 HydrophobicContact CG2-CD2 3.86Å; I17-F68 HydrophobicContact CG2-CE2 4.4Å
18P81.3Confident83.8Confident88 Ų8871.4 Ų71.457%0.57139%0.393SS*.THydrogen-bonded Turntrans-68140.6-178.127.6-33.4000111.2L16 L20L16-P18 WeakPolarHBondContact O-CD 3.4Å; P18-L20 VanDerWaalsContact C-N 3.32Å; P18-L20 PolarHBondContact O-N 3.04Å
19G79.9Confident86.2Confident55 Ų5572.1 Ų72.157%0.56738%0.38SS*.THydrogen-bonded Turntrans80.8-3.2173.100000116.3G21 F68G19-G21 PolarHBondContact O-N 2.91Å; G19-F68 CarbonylContact C-O 3.5Å; G19-F68 WeakPolarHBondContact CA-O 3.35Å; G19-F68 VanDerWaalsContact O-O 3.09Å
20L86.5Confident87.8Confident12 Ų1275.5 Ų75.56%0.06339%0.394CS..  trans-65.1119.4168.1-68.9-171.4000111.2I17 P18 Q24 C28 F68 F143I17-L20 HydrophobicContact CB-CD1 3.74Å; I17-L20 HydrophobicContact CB-CG 4.01Å; I17-L20 HydrophobicContact CD1-CD1 4.02Å; I17-L20 HydrophobicContact CG1-CD1 4.42Å; I17-L20 HydrophobicContact CG2-CD1 3.85Å; I17-L20 HydrophobicContact CG2-CD2 4.42Å; I17-L20 HydrophobicContact CG2-CG 3.72Å; P18-L20 VanDerWaalsContact C-N 3.32Å; P18-L20 PolarHBondContact O-N 3.04Å; L20-Q24 HydrophobicContact CB-CB 4.3Å; L20-Q24 HydrophobicContact CD2-CB 3.93Å; L20-C28 HydrophobicContact CD1-CB 4.24Å; L20-F68 HydrophobicContact CD2-CB 3.71Å; L20-F68 HydrophobicContact CD2-CD1 4.26Å; L20-F68 HydrophobicContact CD2-CD2 3.8Å; L20-F68 HydrophobicContact CD2-CE2 4.49Å; L20-F68 HydrophobicContact CD2-CG 3.67Å; L20-F143 HydrophobicContact CD2-CE1 4.43Å; L20-F143 HydrophobicContact CD2-CE2 4.41Å; L20-F143 HydrophobicContact CD2-CZ 3.66Å
21G87.1Confident88.6Confident34 Ų3474.7 Ų74.735%0.35138%0.384SS..  trans-69.6164.7170.900000112.3G19 R23 Q24 R25G19-G21 PolarHBondContact O-N 2.91Å; G21-R23 VanDerWaalsContact C-N 3.29Å; G21-R23 PolarHBondContact O-N 2.93Å; G21-R23 VanDerWaalsContact O-N 3.11Å; G21-Q24 PolarHBondContact O-N 3.41Å; G21-R25 PolarHBondContact O-N 3Å
22R90.9Very high89Confident225 Ų22572.7 Ų72.785%0.84937%0.371SS*.Hα-helixtrans-47.9-45.2-176.5-65.9-174.6-177.4-177.50.4114R26R22-R26 PolarHBondContact O-N 3.36Å; R22-R26 VanDerWaalsContact O-N 3.11Å
23R92Very high89.3Confident150 Ų15071 Ų7157%0.56635%0.353SS*.Hα-helixtrans-70.7-35.8-179.4-169.5172.2-171.6158.35.7112.9G21 L27 A146G21-R23 VanDerWaalsContact C-N 3.29Å; G21-R23 PolarHBondContact O-N 2.93Å; G21-R23 VanDerWaalsContact O-N 3.11Å; R23-L27 WeakPolarHBondContact O-CG 3.3Å; R23-L27 PolarHBondContact O-N 3.03Å; R23-L27 VanDerWaalsContact O-N 3.17Å; R23-A146 HydrophobicContact CB-CB 4.4Å
24Q92.4Very high89.7Confident19 Ų1966.7 Ų66.79%0.08933%0.33CS..Hα-helixtrans-71-40.6177.7-62.4171.3-58.100110.6L20 G21 R26 L27 C28 F143 A146L20-Q24 HydrophobicContact CB-CB 4.3Å; L20-Q24 HydrophobicContact CD2-CB 3.93Å; G21-Q24 PolarHBondContact O-N 3.41Å; Q24-R26 PolarHBondContact O-N 2.76Å; Q24-L27 PolarHBondContact O-N 2.97Å; Q24-C28 WeakPolarHBondContact O-CB 3.15Å; Q24-C28 PolarHBondContact O-N 2.67Å; Q24-F143 HydrophobicContact CB-CD2 4.24Å; Q24-F143 HydrophobicContact CB-CE2 3.81Å; Q24-F143 HydrophobicContact CB-CZ 4.14Å; Q24-F143 HydrophobicContact CG-CD2 4.46Å; Q24-F143 HydrophobicContact CG-CE2 4.38Å; Q24-F143 WeakPolarHBondContact CG-O 3.46Å; Q24-F143 PolarHBondContact NE2-O 2.89Å; Q24-A146 HydrophobicContact CG-CB 3.54Å
25R92.9Very high89.8Confident67 Ų6767.3 Ų67.325%0.25333%0.333SS..Hα-helixtrans-58.8-45.2174.6-172.6170.1-73.6-114.8-10.3112.1D15 I17 G21 L27 C28 Q29D15-R25 VanDerWaalsContact C-NH1 3.33Å; D15-R25 VanDerWaalsContact O-CZ 3.28Å; D15-R25 PolarHBondContact O-NH1 3.2Å; D15-R25 PolarHBondContact O-NH2 3.24Å; D15-R25 VanDerWaalsContact OD1-CD 3.23Å; D15-R25 WeakPolarHBondContact OD1-CD 3.43Å; D15-R25 IonicContact OD1-CZ 3.84Å; D15-R25 IonicContact OD1-NE 3.85Å; D15-R25 IonicContact OD1-NH1 2.78Å; D15-R25 PolarHBondContact OD1-NH1 3.35Å; I17-R25 PolarHBondContact O-NH2 2.69Å; G21-R25 PolarHBondContact O-N 3Å; R25-L27 PolarHBondContact O-N 2.79Å; R25-C28 WeakPolarHBondContact O-CB 3.4Å; R25-C28 PolarHBondContact O-N 3.04Å; R25-Q29 WeakPolarHBondContact O-CG 3.49Å; R25-Q29 PolarHBondContact O-N 3.3Å
26R94Very high90Very high192 Ų19269.5 Ų69.573%0.72534%0.339SS*.Hα-helixtrans-60.9-42.2173.6-172.9178.6178-167.8-0.3112.7R22 Q24 C28 Q29 L30R22-R26 PolarHBondContact O-N 3.36Å; R22-R26 VanDerWaalsContact O-N 3.11Å; Q24-R26 PolarHBondContact O-N 2.76Å; R26-C28 VanDerWaalsContact C-N 3.33Å; R26-Q29 PolarHBondContact O-N 2.94Å; R26-L30 WeakPolarHBondContact O-CB 3.4Å; R26-L30 PolarHBondContact O-N 3.47Å; R26-L30 VanDerWaalsContact O-N 3.1Å
27L93.3Very high90.4Very high25 Ų2563.1 Ų63.113%0.13131%0.306CS..Hα-helixtrans-65.7-38.1176.4-73.2169.1000112R23 Q24 R25 L30 H31 K142 F143R23-L27 WeakPolarHBondContact O-CG 3.3Å; R23-L27 PolarHBondContact O-N 3.03Å; R23-L27 VanDerWaalsContact O-N 3.17Å; Q24-L27 PolarHBondContact O-N 2.97Å; R25-L27 PolarHBondContact O-N 2.79Å; L27-L30 PolarHBondContact O-N 3.04Å; L27-H31 PolarHBondContact O-N 3.11Å; L27-K142 HydrophobicContact CD1-CB 3.92Å; L27-F143 HydrophobicContact CB-CD2 4.04Å; L27-F143 HydrophobicContact CD1-CB 4.16Å; L27-F143 HydrophobicContact CD1-CD2 4.14Å
28C93.8Very high90.8Very high1 Ų161.1 Ų61.11%0.00730%0.296CS..Hα-helixtrans-61.5-49.5174.9-178.10000110.9C14 L20 Q24 R25 R26 L30 H31 P32 M35C14-C28 WeakPolarHBondContact CA-SG 2.96Å; C14-C28 HydrophobicContact CB-CB 3.69Å; C14-C28 WeakPolarHBondContact CB-SG 3.28Å; C14-C28 WeakPolarHBondContact SG-CB 3.1Å; C14-C28 PolarHBondContact SG-O 2.86Å; C14-C28 CovalentContact SG-SG 2.02Å; C14-C28 PolarHBondContact SG-SG 3.43Å; L20-C28 HydrophobicContact CD1-CB 4.24Å; Q24-C28 WeakPolarHBondContact O-CB 3.15Å; Q24-C28 PolarHBondContact O-N 2.67Å; R25-C28 WeakPolarHBondContact O-CB 3.4Å; R25-C28 PolarHBondContact O-N 3.04Å; R26-C28 VanDerWaalsContact C-N 3.33Å; C28-L30 VanDerWaalsContact C-N 3.26Å; C28-L30 PolarHBondContact O-N 2.63Å; C28-H31 CarbonylContact O-C 3.58Å; C28-H31 VanDerWaalsContact O-C 3.25Å; C28-H31 PolarHBondContact O-N 2.67Å; C28-P32 WeakPolarHBondContact O-CA 3.09Å; C28-P32 WeakPolarHBondContact O-CB 3.23Å; C28-M35 HydrophobicContact CB-CG 4.05Å; C28-M35 HydrophobicContact CB-SD 3.84Å; C28-M35 WeakPolarHBondContact SG-CG 3.49Å
29Q93.4Very high91.2Very high77 Ų7760.2 Ų60.236%0.3629%0.291SS..Hα-helixtrans-62.6-34179.7-72.7167.9-22.200112.2C14 D15 R25 R26C14-Q29 HydrophobicContact CB-CG 3.87Å; C14-Q29 PolarHBondContact SG-N 2.75Å; C14-Q29 VanDerWaalsContact SG-N 3.41Å; D15-Q29 PolarHBondContact OD1-NE2 3.12Å; D15-Q29 PolarHBondContact OD2-NE2 3.18Å; D15-Q29 VanDerWaalsContact OD2-NE2 3.09Å; R25-Q29 WeakPolarHBondContact O-CG 3.49Å; R25-Q29 PolarHBondContact O-N 3.3Å; R26-Q29 PolarHBondContact O-N 2.94Å
30L92.8Very high91.7Very high113 Ų11360.1 Ų60.159%0.59228%0.278SS*.Hα-helixtrans-76.5-34.9178.5-172.464.7000113.1R26 L27 C28R26-L30 WeakPolarHBondContact O-CB 3.4Å; R26-L30 PolarHBondContact O-N 3.47Å; R26-L30 VanDerWaalsContact O-N 3.1Å; L27-L30 PolarHBondContact O-N 3.04Å; C28-L30 VanDerWaalsContact C-N 3.26Å; C28-L30 PolarHBondContact O-N 2.63Å
31H92.9Very high92.1Very high38 Ų3859.6 Ų59.618%0.17628%0.275CS..  trans-134.468.7-177.3-55.2-70.3000110.6L27 C28 D33 V34 D106 F139L27-H31 PolarHBondContact O-N 3.11Å; C28-H31 CarbonylContact O-C 3.58Å; C28-H31 VanDerWaalsContact O-C 3.25Å; C28-H31 PolarHBondContact O-N 2.67Å; H31-D33 VanDerWaalsContact C-N 3.32Å; H31-D33 PolarHBondContact O-N 3.5Å; H31-V34 HydrophobicContact CB-CB 4.22Å; H31-V34 HydrophobicContact CB-CG2 3.72Å; H31-V34 WeakPolarHBondContact O-CB 3.47Å; H31-V34 PolarHBondContact O-N 3.44Å; H31-D106 IonicContact CE1-OD2 3.42Å; H31-D106 PolarHBondContact CE1-OD2 3.35Å; H31-D106 IonicContact ND1-OD2 2.68Å; H31-D106 PolarHBondContact ND1-OD2 3.06Å; H31-F139 HydrophobicContact CB-CE2 3.92Å; H31-F139 HydrophobicContact CB-CZ 4.39Å; H31-F139 AromaticContact CD2-CE2 3.75Å
32P91.2Very high92.2Very high24 Ų2459.1 Ų59.116%0.15627%0.265CS..Hα-helixtrans-73.8-26.7-17132.2-38.4000112.2S9 P11 C28 V34 M35S9-P32 WeakPolarHBondContact CB-O 2.88Å; S9-P32 WeakPolarHBondContact O-CB 3.24Å; S9-P32 WeakPolarHBondContact O-CG 3.26Å; S9-P32 PolarHBondContact OG-O 3.45Å; S9-P32 VanDerWaalsContact OG-O 3.06Å; P11-P32 HydrophobicContact CG-CG 4.28Å; C28-P32 WeakPolarHBondContact O-CA 3.09Å; C28-P32 WeakPolarHBondContact O-CB 3.23Å; P32-V34 VanDerWaalsContact C-N 3.33Å; P32-V34 PolarHBondContact O-N 3.44Å; P32-M35 VanDerWaalsContact O-CB 3.3Å; P32-M35 WeakPolarHBondContact O-CB 3.33Å; P32-M35 PolarHBondContact O-N 2.67Å; P32-M35 VanDerWaalsContact O-N 3.17Å
33D90.1Very high92.2Very high29 Ų2956.5 Ų56.516%0.15526%0.255CS..Hα-helixtrans-60.1-39.2171.559.7-20.8000112.5H31 M35 K36 I104 V105H31-D33 VanDerWaalsContact C-N 3.32Å; H31-D33 PolarHBondContact O-N 3.5Å; D33-M35 PolarHBondContact O-N 3.22Å; D33-K36 PolarHBondContact O-N 3.27Å; D33-I104 WeakPolarHBondContact OD2-CA 3.24Å; D33-I104 WeakPolarHBondContact OD2-CG2 3.37Å; D33-V105 PolarHBondContact OD2-N 2.88Å
34V94.2Very high92.3Very high0 Ų054 Ų540%025%0.245CC..Hα-helixtrans-60.1-31.4175.6-175.40000111.2H31 P32 K36 A37 I38 I95 I104 F139H31-V34 HydrophobicContact CB-CB 4.22Å; H31-V34 HydrophobicContact CB-CG2 3.72Å; H31-V34 WeakPolarHBondContact O-CB 3.47Å; H31-V34 PolarHBondContact O-N 3.44Å; P32-V34 VanDerWaalsContact C-N 3.33Å; P32-V34 PolarHBondContact O-N 3.44Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 3.11Å; V34-A37 CarbonylContact O-C 3.6Å; V34-A37 WeakPolarHBondContact O-CA 3.48Å; V34-A37 WeakPolarHBondContact O-CB 3.25Å; V34-A37 PolarHBondContact O-N 2.98Å; V34-I38 HydrophobicContact CG1-CD1 4.2Å; V34-I38 HydrophobicContact CG1-CG1 4.14Å; V34-I38 WeakPolarHBondContact O-CG1 3.03Å; V34-I38 PolarHBondContact O-N 3.35Å; V34-I95 HydrophobicContact CG1-CD1 3.89Å; V34-I95 HydrophobicContact CG1-CG1 3.96Å; V34-I104 HydrophobicContact CG1-CD1 4.47Å; V34-I104 HydrophobicContact CG2-CD1 4.19Å; V34-I104 HydrophobicContact CG2-CG1 4.41Å; V34-I104 HydrophobicContact CG2-CG2 3.69Å; V34-F139 HydrophobicContact CB-CE1 4.41Å; V34-F139 HydrophobicContact CB-CE2 4.13Å; V34-F139 HydrophobicContact CB-CZ 3.93Å; V34-F139 HydrophobicContact CG1-CD1 3.87Å; V34-F139 HydrophobicContact CG1-CD2 4.2Å; V34-F139 HydrophobicContact CG1-CE1 3.57Å; V34-F139 HydrophobicContact CG1-CE2 3.88Å; V34-F139 HydrophobicContact CG1-CG 4.19Å; V34-F139 HydrophobicContact CG1-CZ 3.56Å; V34-F139 HydrophobicContact CG2-CD2 4.5Å; V34-F139 HydrophobicContact CG2-CE2 4.04Å; V34-F139 HydrophobicContact CG2-CZ 4.36Å
35M91.5Very high92.2Very high16 Ų1653 Ų538%0.07924%0.241CC..Hα-helixtrans-63.7-32.9-177.8-65.2-61.9-48.700113.6I17 C28 P32 D33 A37 I38 S39 F68 F143I17-M35 HydrophobicContact CD1-CE 4Å; C28-M35 HydrophobicContact CB-CG 4.05Å; C28-M35 HydrophobicContact CB-SD 3.84Å; C28-M35 WeakPolarHBondContact SG-CG 3.49Å; P32-M35 VanDerWaalsContact O-CB 3.3Å; P32-M35 WeakPolarHBondContact O-CB 3.33Å; P32-M35 PolarHBondContact O-N 2.67Å; P32-M35 VanDerWaalsContact O-N 3.17Å; D33-M35 PolarHBondContact O-N 3.22Å; M35-A37 VanDerWaalsContact C-N 3.34Å; M35-I38 HydrophobicContact CE-CD1 4.26Å; M35-I38 PolarHBondContact O-N 3.1Å; M35-I38 HydrophobicContact SD-CD1 3.66Å; M35-S39 WeakPolarHBondContact O-CB 3.49Å; M35-S39 PolarHBondContact O-N 2.91Å; M35-F68 HydrophobicContact CE-CE2 3.85Å; M35-F68 HydrophobicContact CE-CZ 3.97Å; M35-F143 HydrophobicContact CE-CE2 4.29Å; M35-F143 HydrophobicContact CE-CZ 3.81Å; M35-F143 HydrophobicContact SD-CE2 3.74Å; M35-F143 HydrophobicContact SD-CZ 3.85Å
36K89.1Confident92.1Very high116 Ų11650.5 Ų50.550%0.50423%0.233SC..Hα-helixtrans-61.6-46.9172.9-172.8179.9179.7-179.40110.1D33 V34 I38 S39 D40D33-K36 PolarHBondContact O-N 3.27Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 3.11Å; K36-I38 VanDerWaalsContact C-N 3.32Å; K36-I38 PolarHBondContact O-N 2.86Å; K36-S39 PolarHBondContact O-N 3.12Å; K36-D40 PolarHBondContact O-N 3.38Å
37A94Very high92Very high3 Ų343.9 Ų43.93%0.02522%0.219CC..Hα-helixtrans-61.7-38.5175.400000112.1V34 M35 G41 S94 I95 S98 I104V34-A37 CarbonylContact O-C 3.6Å; V34-A37 WeakPolarHBondContact O-CA 3.48Å; V34-A37 WeakPolarHBondContact O-CB 3.25Å; V34-A37 PolarHBondContact O-N 2.98Å; M35-A37 VanDerWaalsContact C-N 3.34Å; A37-G41 PolarHBondContact O-N 3.33Å; A37-S94 WeakPolarHBondContact O-CB 3.23Å; A37-S94 PolarHBondContact O-OG 3.11Å; A37-I95 HydrophobicContact CB-CG1 4.29Å; A37-S98 WeakPolarHBondContact CB-OG 3.25Å; A37-I104 HydrophobicContact CB-CD1 4.04Å
38I93.3Very high92Very high0 Ų043.3 Ų43.30%022%0.216CC..Hα-helixtrans-64.4-46.4175.8-58.2172.9000110.7V34 M35 K36 D40 G41 I42 F68 V91 I95 F139 F143V34-I38 HydrophobicContact CG1-CD1 4.2Å; V34-I38 HydrophobicContact CG1-CG1 4.14Å; V34-I38 WeakPolarHBondContact O-CG1 3.03Å; V34-I38 PolarHBondContact O-N 3.35Å; M35-I38 HydrophobicContact CE-CD1 4.26Å; M35-I38 PolarHBondContact O-N 3.1Å; M35-I38 HydrophobicContact SD-CD1 3.66Å; K36-I38 VanDerWaalsContact C-N 3.32Å; K36-I38 PolarHBondContact O-N 2.86Å; I38-D40 PolarHBondContact O-N 2.94Å; I38-G41 WeakPolarHBondContact O-CA 3.2Å; I38-G41 PolarHBondContact O-N 3.3Å; I38-G41 VanDerWaalsContact O-N 3.15Å; I38-I42 HydrophobicContact CG2-CD1 4.01Å; I38-I42 HydrophobicContact CG2-CG1 4.45Å; I38-I42 WeakPolarHBondContact O-CG1 3.3Å; I38-I42 PolarHBondContact O-N 3.48Å; I38-F68 HydrophobicContact CB-CZ 4.3Å; I38-F68 HydrophobicContact CG2-CE1 3.62Å; I38-F68 HydrophobicContact CG2-CZ 3.39Å; I38-V91 HydrophobicContact CG1-CG1 4.16Å; I38-V91 HydrophobicContact CG2-CG1 4.06Å; I38-V91 HydrophobicContact CG2-CG2 3.8Å; I38-I95 HydrophobicContact CG1-CD1 4.04Å; I38-I95 HydrophobicContact CG1-CG1 4.33Å; I38-F139 HydrophobicContact CD1-CD1 4.45Å; I38-F139 HydrophobicContact CD1-CE1 3.67Å; I38-F139 HydrophobicContact CD1-CZ 4.48Å; I38-F143 HydrophobicContact CD1-CD1 4Å; I38-F143 HydrophobicContact CD1-CD2 4.36Å; I38-F143 HydrophobicContact CD1-CE1 3.97Å; I38-F143 HydrophobicContact CD1-CE2 4.32Å; I38-F143 HydrophobicContact CD1-CG 4.2Å; I38-F143 HydrophobicContact CD1-CZ 4.13Å; I38-F143 HydrophobicContact CG2-CE1 4.45Å
39S90Very high91.9Very high68 Ų6843.3 Ų43.348%0.47622%0.216SC..Hα-helixtrans-59.1-47.9178.6-175.40000111.8M35 K36 G41 I42 R43M35-S39 WeakPolarHBondContact O-CB 3.49Å; M35-S39 PolarHBondContact O-N 2.91Å; K36-S39 PolarHBondContact O-N 3.12Å; S39-G41 VanDerWaalsContact C-N 3.27Å; S39-G41 PolarHBondContact O-N 3.22Å; S39-I42 PolarHBondContact O-N 3.13Å; S39-R43 PolarHBondContact O-N 3.09Å
40D91.3Very high91.8Very high54 Ų5443.1 Ų43.129%0.28922%0.215SC..Hα-helixtrans-62-37.2175.7-73-22.3000112.1K36 I38 R44K36-D40 PolarHBondContact O-N 3.38Å; I38-D40 PolarHBondContact O-N 2.94Å; D40-R44 WeakPolarHBondContact O-CG 2.83Å; D40-R44 PolarHBondContact O-N 3.5Å; D40-R44 VanDerWaalsContact O-N 3.1Å; D40-R44 PolarHBondContact O-NE 3.23Å
41G93.1Very high91.8Very high0 Ų044 Ų440%021%0.21CC..Hα-helixtrans-59.2-54.9173.500000111.2A37 I38 S39 R43 R44 G45 S90 S94A37-G41 PolarHBondContact O-N 3.33Å; I38-G41 WeakPolarHBondContact O-CA 3.2Å; I38-G41 PolarHBondContact O-N 3.3Å; I38-G41 VanDerWaalsContact O-N 3.15Å; S39-G41 VanDerWaalsContact C-N 3.27Å; S39-G41 PolarHBondContact O-N 3.22Å; G41-R43 VanDerWaalsContact C-N 3.34Å; G41-R43 PolarHBondContact O-N 3.11Å; G41-R44 CarbonylContact O-C 3.56Å; G41-R44 WeakPolarHBondContact O-CB 3.43Å; G41-R44 PolarHBondContact O-N 2.91Å; G41-R44 VanDerWaalsContact O-N 3.1Å; G41-G45 PolarHBondContact O-N 2.85Å; G41-S90 WeakPolarHBondContact O-CB 3.15Å; G41-S90 PolarHBondContact O-OG 3.48Å; G41-S94 VanDerWaalsContact CA-CB 3.46Å; G41-S94 PolarHBondContact N-OG 3.27Å
42I90.6Very high91.7Very high25 Ų2545 Ų4513%0.12822%0.215CC..Hα-helixtrans-56.9-47.2-179.9-70.7170.9000111I38 S39 R44 G45 V46 F68 V91I38-I42 HydrophobicContact CG2-CD1 4.01Å; I38-I42 HydrophobicContact CG2-CG1 4.45Å; I38-I42 WeakPolarHBondContact O-CG1 3.3Å; I38-I42 PolarHBondContact O-N 3.48Å; S39-I42 PolarHBondContact O-N 3.13Å; I42-R44 VanDerWaalsContact C-N 3.3Å; I42-R44 PolarHBondContact O-N 3.18Å; I42-G45 WeakPolarHBondContact O-CA 3.33Å; I42-G45 PolarHBondContact O-N 3.3Å; I42-V46 HydrophobicContact CG2-CG2 4.35Å; I42-V46 WeakPolarHBondContact O-CG2 2.81Å; I42-V46 PolarHBondContact O-N 3.25Å; I42-F68 HydrophobicContact CD1-CD1 4.01Å; I42-F68 HydrophobicContact CD1-CE1 3.26Å; I42-F68 HydrophobicContact CD1-CE2 4.21Å; I42-F68 HydrophobicContact CD1-CZ 3.39Å; I42-V91 HydrophobicContact CG1-CG2 3.95Å
43R91.1Very high91.6Very high170 Ų17044 Ų4464%0.64221%0.208SC*.Hα-helixtrans-57.6-43.9178.1-170.2179.671.7135.4-0.9111.8S39 G41 A47S39-R43 PolarHBondContact O-N 3.09Å; G41-R43 VanDerWaalsContact C-N 3.34Å; G41-R43 PolarHBondContact O-N 3.11Å; R43-A47 PolarHBondContact O-N 3.49Å; R43-A47 VanDerWaalsContact O-N 3.1Å
44R92.3Very high91.7Very high96 Ų9644.5 Ų44.536%0.36222%0.217SC..Hα-helixtrans-65.6-38.6174.9-75.7-173.6-79.8-107.93112.4D40 G41 I42 A47 E48 S94D40-R44 WeakPolarHBondContact O-CG 2.83Å; D40-R44 PolarHBondContact O-N 3.5Å; D40-R44 VanDerWaalsContact O-N 3.1Å; D40-R44 PolarHBondContact O-NE 3.23Å; G41-R44 CarbonylContact O-C 3.56Å; G41-R44 WeakPolarHBondContact O-CB 3.43Å; G41-R44 PolarHBondContact O-N 2.91Å; G41-R44 VanDerWaalsContact O-N 3.1Å; I42-R44 VanDerWaalsContact C-N 3.3Å; I42-R44 PolarHBondContact O-N 3.18Å; R44-A47 PolarHBondContact O-N 3.33Å; R44-E48 WeakPolarHBondContact O-CB 3.28Å; R44-E48 PolarHBondContact O-N 3.38Å; R44-S94 PolarHBondContact NH2-OG 3.1Å
45G92.2Very high91.5Very high0 Ų048.8 Ų48.80%024%0.24CC..Hα-helixtrans-62.5-44176.600000112.9G41 I42 E48 C49G41-G45 PolarHBondContact O-N 2.85Å; I42-G45 WeakPolarHBondContact O-CA 3.33Å; I42-G45 PolarHBondContact O-N 3.3Å; G45-E48 PolarHBondContact O-N 3.03Å; G45-C49 WeakPolarHBondContact O-CB 3.41Å; G45-C49 PolarHBondContact O-N 3.11Å
46V90.2Very high91.6Very high13 Ų1350.3 Ų50.38%0.07925%0.245CC..Hα-helixtrans-65.2-46.7176.4174.20000111I42 E48 C49 Q50 V63I42-V46 HydrophobicContact CG2-CG2 4.35Å; I42-V46 WeakPolarHBondContact O-CG2 2.81Å; I42-V46 PolarHBondContact O-N 3.25Å; V46-E48 VanDerWaalsContact C-N 3.3Å; V46-E48 PolarHBondContact O-N 3.37Å; V46-C49 WeakPolarHBondContact O-CB 3.2Å; V46-C49 PolarHBondContact O-N 3.49Å; V46-C49 VanDerWaalsContact O-N 3.14Å; V46-Q50 HydrophobicContact CG1-CG 4.45Å; V46-Q50 WeakPolarHBondContact O-CG 3.34Å; V46-Q50 PolarHBondContact O-N 2.66Å; V46-V63 WeakPolarHBondContact CG1-O 3.15Å; V46-V63 HydrophobicContact CG2-CG1 3.84Å
47A92.3Very high91.7Very high54 Ų5448.6 Ų48.645%0.44624%0.235SC..Hα-helixtrans-58.8-42.6176.600000112R43 R44 Q50 R51R43-A47 PolarHBondContact O-N 3.49Å; R43-A47 VanDerWaalsContact O-N 3.1Å; R44-A47 PolarHBondContact O-N 3.33Å; A47-Q50 PolarHBondContact O-N 3.22Å; A47-R51 WeakPolarHBondContact O-CB 3.16Å; A47-R51 PolarHBondContact O-N 3.49Å
48E92.2Very high91.6Very high12 Ų1249 Ų496%0.05624%0.236CC..Hα-helixtrans-67.3-37.7176.4-179.556.2-159.700112.1R44 G45 V46 R51 Q52 I86 F199R44-E48 WeakPolarHBondContact O-CB 3.28Å; R44-E48 PolarHBondContact O-N 3.38Å; G45-E48 PolarHBondContact O-N 3.03Å; V46-E48 VanDerWaalsContact C-N 3.3Å; V46-E48 PolarHBondContact O-N 3.37Å; E48-R51 PolarHBondContact O-N 3.39Å; E48-R51 IonicContact OE1-CZ 2.82Å; E48-R51 IonicContact OE1-NE 2.71Å; E48-R51 PolarHBondContact OE1-NE 2.87Å; E48-R51 IonicContact OE1-NH2 3.13Å; E48-R51 PolarHBondContact OE1-NH2 2.81Å; E48-R51 IonicContact OE2-CZ 3.32Å; E48-R51 IonicContact OE2-NE 3.73Å; E48-R51 PolarHBondContact OE2-NE 3.47Å; E48-R51 IonicContact OE2-NH2 3.71Å; E48-Q52 HydrophobicContact CG-CG 4.4Å; E48-Q52 WeakPolarHBondContact O-CB 3.3Å; E48-Q52 WeakPolarHBondContact O-CG 3.45Å; E48-Q52 PolarHBondContact O-N 3.48Å; E48-Q52 WeakPolarHBondContact OE1-CG 3.33Å; E48-Q52 PolarHBondContact OE1-NE2 2.79Å; E48-I86 HydrophobicContact CG-CD1 4.03Å; E48-I86 HydrophobicContact CG-CG1 4.33Å; E48-F199 HydrophobicContact CB-CD1 3.92Å; E48-F199 HydrophobicContact CB-CE1 3.7Å; E48-F199 HydrophobicContact CG-CD1 4.1Å; E48-F199 HydrophobicContact CG-CE1 3.85Å
49C91.9Very high91.4Very high1 Ų150.9 Ų50.91%0.00725%0.246CC..Hα-helixtrans-61.2-48.2174.3-174.70000111.7G45 V46 R51 Q52 F53 C60 F82 I86G45-C49 WeakPolarHBondContact O-CB 3.41Å; G45-C49 PolarHBondContact O-N 3.11Å; V46-C49 WeakPolarHBondContact O-CB 3.2Å; V46-C49 PolarHBondContact O-N 3.49Å; V46-C49 VanDerWaalsContact O-N 3.14Å; C49-R51 VanDerWaalsContact C-N 3.28Å; C49-R51 PolarHBondContact O-N 3.12Å; C49-Q52 PolarHBondContact O-N 2.96Å; C49-F53 WeakPolarHBondContact O-CB 3.1Å; C49-F53 WeakPolarHBondContact O-CD2 3.1Å; C49-F53 PolarHBondContact O-N 2.8Å; C49-C60 HydrophobicContact CB-CB 3.96Å; C49-C60 WeakPolarHBondContact CB-SG 3.18Å; C49-C60 WeakPolarHBondContact SG-CB 3.1Å; C49-C60 CovalentContact SG-SG 2.03Å; C49-C60 PolarHBondContact SG-SG 3.42Å; C49-F82 HydrophobicContact CB-CE1 4.2Å; C49-I86 HydrophobicContact CB-CG2 4.23Å
50Q92Very high91.4Very high73 Ų7347.6 Ų47.634%0.34122%0.223SC..Hα-helixtrans-61.4-37.9176.1-70171.6-7.700111.8V46 A47 A54 C60V46-Q50 HydrophobicContact CG1-CG 4.45Å; V46-Q50 WeakPolarHBondContact O-CG 3.34Å; V46-Q50 PolarHBondContact O-N 2.66Å; A47-Q50 PolarHBondContact O-N 3.22Å; Q50-A54 WeakPolarHBondContact O-CA 3.03Å; Q50-A54 WeakPolarHBondContact O-CB 3.07Å; Q50-A54 PolarHBondContact O-N 3.48Å; Q50-C60 HydrophobicContact CG-CB 4.08Å
51R91.9Very high91.1Very high132 Ų13248 Ų4850%0.49823%0.228SC..Hα-helixtrans-64.6-46.9175.5-167.4-166.569.272.1-1.6112.2A47 E48 C49 F53A47-R51 WeakPolarHBondContact O-CB 3.16Å; A47-R51 PolarHBondContact O-N 3.49Å; E48-R51 PolarHBondContact O-N 3.39Å; E48-R51 IonicContact OE1-CZ 2.82Å; E48-R51 IonicContact OE1-NE 2.71Å; E48-R51 PolarHBondContact OE1-NE 2.87Å; E48-R51 IonicContact OE1-NH2 3.13Å; E48-R51 PolarHBondContact OE1-NH2 2.81Å; E48-R51 IonicContact OE2-CZ 3.32Å; E48-R51 IonicContact OE2-NE 3.73Å; E48-R51 PolarHBondContact OE2-NE 3.47Å; E48-R51 IonicContact OE2-NH2 3.71Å; C49-R51 VanDerWaalsContact C-N 3.28Å; C49-R51 PolarHBondContact O-N 3.12Å; R51-F53 VanDerWaalsContact C-N 3.32Å
52Q90.3Very high90.4Very high59 Ų5950.2 Ų50.228%0.27624%0.241SC..Hα-helixtrans-67.2-35-179.2-68.7-82.78.400112E48 C49 F82E48-Q52 HydrophobicContact CG-CG 4.4Å; E48-Q52 WeakPolarHBondContact O-CB 3.3Å; E48-Q52 WeakPolarHBondContact O-CG 3.45Å; E48-Q52 PolarHBondContact O-N 3.48Å; E48-Q52 WeakPolarHBondContact OE1-CG 3.33Å; E48-Q52 PolarHBondContact OE1-NE2 2.79Å; C49-Q52 PolarHBondContact O-N 2.96Å; Q52-F82 HydrophobicContact CB-CZ 4.24Å; Q52-F82 HydrophobicContact CG-CZ 4.26Å
53F90.7Very high89.4Confident2 Ų249.2 Ų49.21%0.00924%0.236CC..THydrogen-bonded Turntrans-99.48.2-177.9-77.6-95.8000114C49 R51 N55 Y56 W58 N59 C60 E79 F82 P206C49-F53 WeakPolarHBondContact O-CB 3.1Å; C49-F53 WeakPolarHBondContact O-CD2 3.1Å; C49-F53 PolarHBondContact O-N 2.8Å; R51-F53 VanDerWaalsContact C-N 3.32Å; F53-N55 PolarHBondContact O-N 3.23Å; F53-Y56 HydrophobicContact CD1-CD1 4.31Å; F53-Y56 HydrophobicContact CD1-CD2 4.09Å; F53-Y56 AromaticContact CD1-CG 3.85Å; F53-Y56 HydrophobicContact CD1-CG 3.85Å; F53-Y56 HydrophobicContact CE1-CD1 4.48Å; F53-Y56 HydrophobicContact CE1-CG 4.44Å; F53-Y56 HydrophobicContact CG-CD2 4.49Å; F53-Y56 PolarHBondContact O-N 3.48Å; F53-W58 HydrophobicContact CB-CE3 4.32Å; F53-W58 HydrophobicContact CB-CZ3 4.36Å; F53-W58 WeakPolarHBondContact CB-O 3.45Å; F53-W58 AromaticContact CD1-CE3 3.48Å; F53-W58 HydrophobicContact CD1-CE3 3.48Å; F53-W58 VanDerWaalsContact CD1-CE3 3.48Å; F53-W58 AromaticContact CD1-CZ3 3.7Å; F53-W58 HydrophobicContact CD1-CZ3 3.7Å; F53-W58 WeakPolarHBondContact CD1-O 3.27Å; F53-W58 AromaticContact CD2-CZ3 3.96Å; F53-W58 HydrophobicContact CD2-CZ3 3.96Å; F53-W58 AromaticContact CE1-CE3 3.83Å; F53-W58 HydrophobicContact CE1-CE3 3.83Å; F53-W58 AromaticContact CE1-CZ3 3.88Å; F53-W58 HydrophobicContact CE1-CZ3 3.88Å; F53-W58 HydrophobicContact CE2-CZ3 4.16Å; F53-W58 AromaticContact CG-CE3 3.86Å; F53-W58 HydrophobicContact CG-CE3 3.86Å; F53-W58 AromaticContact CG-CZ3 3.73Å; F53-W58 HydrophobicContact CG-CZ3 3.73Å; F53-W58 HydrophobicContact CZ-CZ3 4.1Å; F53-N59 WeakPolarHBondContact O-CA 3.45Å; F53-C60 HydrophobicContact CB-CB 4.44Å; F53-E79 HydrophobicContact CE1-CG 4.27Å; F53-F82 HydrophobicContact CD2-CD1 4.18Å; F53-F82 HydrophobicContact CD2-CE1 4.01Å; F53-F82 HydrophobicContact CD2-CZ 4.49Å; F53-F82 HydrophobicContact CE2-CB 4.4Å; F53-F82 AromaticContact CE2-CD1 3.4Å; F53-F82 HydrophobicContact CE2-CD1 3.4Å; F53-F82 HydrophobicContact CE2-CD2 4.07Å; F53-F82 AromaticContact CE2-CE1 3.52Å; F53-F82 HydrophobicContact CE2-CE1 3.52Å; F53-F82 HydrophobicContact CE2-CE2 4.15Å; F53-F82 AromaticContact CE2-CG 3.69Å; F53-F82 HydrophobicContact CE2-CG 3.69Å; F53-F82 AromaticContact CE2-CZ 3.89Å; F53-F82 HydrophobicContact CE2-CZ 3.89Å; F53-F82 HydrophobicContact CZ-CB 4.36Å; F53-F82 HydrophobicContact CZ-CD1 4.17Å; F53-F82 HydrophobicContact CZ-CD2 4.49Å; F53-F82 HydrophobicContact CZ-CG 4.09Å; F53-P206 HydrophobicContact CE2-CB 4.13Å; F53-P206 HydrophobicContact CZ-CB 3.71Å
54A90.9Very high88.2Confident41 Ų4146.5 Ų46.534%0.33923%0.231SC..THydrogen-bonded Turntrans-53-35.9-17700000112.5Q50 R264Q50-A54 WeakPolarHBondContact O-CA 3.03Å; Q50-A54 WeakPolarHBondContact O-CB 3.07Å; Q50-A54 PolarHBondContact O-N 3.48Å; A54-R264 PolarHBondContact O-NH2 3.48Å
55N90.9Very high86.3Confident90 Ų9043.9 Ų43.948%0.48123%0.234SC..THydrogen-bonded Turntrans-97.17.6-176.4-73.72000114.1F53 Q273 D274 M279F53-N55 PolarHBondContact O-N 3.23Å; N55-Q273 CarbonylContact O-C 3.58Å; N55-Q273 VanDerWaalsContact O-CB 3.27Å; N55-Q273 WeakPolarHBondContact O-CB 3.34Å; N55-D274 HydrophobicContact CB-CB 3.87Å; N55-D274 PolarHBondContact O-N 3.21Å; N55-M279 WeakPolarHBondContact O-CE 3.07Å
56Y92.5Very high84.1Confident48 Ų4848.6 Ų48.619%0.18827%0.267CS..SBendtrans-104.2152.4178.4-72.8-103.8000110.3F53 W58 R264 Q273F53-Y56 HydrophobicContact CD1-CD1 4.31Å; F53-Y56 HydrophobicContact CD1-CD2 4.09Å; F53-Y56 AromaticContact CD1-CG 3.85Å; F53-Y56 HydrophobicContact CD1-CG 3.85Å; F53-Y56 HydrophobicContact CE1-CD1 4.48Å; F53-Y56 HydrophobicContact CE1-CG 4.44Å; F53-Y56 HydrophobicContact CG-CD2 4.49Å; F53-Y56 PolarHBondContact O-N 3.48Å; Y56-W58 VanDerWaalsContact C-N 3.28Å; Y56-W58 WeakPolarHBondContact CB-O 3.5Å; Y56-W58 CarbonylContact O-C 3.6Å; Y56-W58 PolarHBondContact O-N 3.03Å; Y56-R264 PolarHBondContact O-NH1 3.25Å; Y56-Q273 HydrophobicContact CD1-CB 4.3Å; Y56-Q273 HydrophobicContact CD1-CG 3.81Å; Y56-Q273 HydrophobicContact CE1-CB 4.41Å; Y56-Q273 VanDerWaalsContact CE1-CD 3.42Å; Y56-Q273 HydrophobicContact CE1-CG 3.58Å; Y56-Q273 VanDerWaalsContact CE1-NE2 3.32Å; Y56-Q273 HydrophobicContact CG-CB 4.43Å; Y56-Q273 HydrophobicContact CG-CG 4.41Å
57R92.9Very high82Confident80 Ų8048.8 Ų48.830%0.30227%0.271SS..SBendtrans-51.3-47.8177.1-61.1-179-177.2153.70.3111.9T261 R264 I278 M279R57-T261 HydrophobicContact CB-CG2 3.73Å; R57-T261 HydrophobicContact CG-CG2 3.92Å; R57-R264 PolarHBondContact O-NH1 3.43Å; R57-R264 VanDerWaalsContact O-NH1 3.12Å; R57-I278 PolarHBondContact NE-O 3.03Å; R57-I278 PolarHBondContact NH2-O 2.87Å; R57-M279 HydrophobicContact CG-SD 4.4Å
58W90.6Very high80.1Confident11 Ų1148.3 Ų48.34%0.04226%0.259CS..SBendtrans-85.6115.8164.8-178.783000110F53 Y56 C60 T62 V63 L73 E79 V83 Y249F53-W58 HydrophobicContact CB-CE3 4.32Å; F53-W58 HydrophobicContact CB-CZ3 4.36Å; F53-W58 WeakPolarHBondContact CB-O 3.45Å; F53-W58 AromaticContact CD1-CE3 3.48Å; F53-W58 HydrophobicContact CD1-CE3 3.48Å; F53-W58 VanDerWaalsContact CD1-CE3 3.48Å; F53-W58 AromaticContact CD1-CZ3 3.7Å; F53-W58 HydrophobicContact CD1-CZ3 3.7Å; F53-W58 WeakPolarHBondContact CD1-O 3.27Å; F53-W58 AromaticContact CD2-CZ3 3.96Å; F53-W58 HydrophobicContact CD2-CZ3 3.96Å; F53-W58 AromaticContact CE1-CE3 3.83Å; F53-W58 HydrophobicContact CE1-CE3 3.83Å; F53-W58 AromaticContact CE1-CZ3 3.88Å; F53-W58 HydrophobicContact CE1-CZ3 3.88Å; F53-W58 HydrophobicContact CE2-CZ3 4.16Å; F53-W58 AromaticContact CG-CE3 3.86Å; F53-W58 HydrophobicContact CG-CE3 3.86Å; F53-W58 AromaticContact CG-CZ3 3.73Å; F53-W58 HydrophobicContact CG-CZ3 3.73Å; F53-W58 HydrophobicContact CZ-CZ3 4.1Å; Y56-W58 VanDerWaalsContact C-N 3.28Å; Y56-W58 WeakPolarHBondContact CB-O 3.5Å; Y56-W58 CarbonylContact O-C 3.6Å; Y56-W58 PolarHBondContact O-N 3.03Å; W58-C60 HydrophobicContact CE3-CB 4.41Å; W58-C60 HydrophobicContact CH2-CB 3.55Å; W58-C60 WeakPolarHBondContact CH2-SG 3.48Å; W58-C60 HydrophobicContact CZ2-CB 3.94Å; W58-C60 HydrophobicContact CZ3-CB 3.81Å; W58-T62 PolarHBondContact NE1-OG1 3.39Å; W58-V63 HydrophobicContact CH2-CG2 4.38Å; W58-V63 HydrophobicContact CZ2-CG2 3.84Å; W58-L73 HydrophobicContact CZ2-CD1 3.9Å; W58-E79 HydrophobicContact CB-CG 4.42Å; W58-E79 HydrophobicContact CD2-CB 3.93Å; W58-E79 HydrophobicContact CD2-CG 3.74Å; W58-E79 HydrophobicContact CE3-CB 3.69Å; W58-E79 HydrophobicContact CE3-CG 3.39Å; W58-E79 HydrophobicContact CG-CG 4.2Å; W58-E79 HydrophobicContact CH2-CB 4.02Å; W58-E79 HydrophobicContact CZ2-CB 4.24Å; W58-E79 HydrophobicContact CZ3-CB 3.74Å; W58-E79 HydrophobicContact CZ3-CG 3.89Å; W58-V83 HydrophobicContact CH2-CG2 3.52Å; W58-V83 HydrophobicContact CZ2-CG2 4.03Å; W58-Y249 HydrophobicContact CB-CD1 3.79Å; W58-Y249 HydrophobicContact CB-CD2 3.81Å; W58-Y249 HydrophobicContact CB-CE1 3.86Å; W58-Y249 HydrophobicContact CB-CE2 3.87Å; W58-Y249 HydrophobicContact CB-CG 3.76Å; W58-Y249 AromaticContact CD1-CD1 3.95Å; W58-Y249 AromaticContact CD1-CE1 3.57Å; W58-Y249 HydrophobicContact CG-CD1 4.2Å; W58-Y249 AromaticContact CG-CE1 3.88Å; W58-Y249 HydrophobicContact CG-CE1 3.88Å; W58-Y249 HydrophobicContact CG-CE2 4.46Å
59N90.5Very high77.7Confident39 Ų3950.1 Ų50.121%0.20928%0.281CS..  trans-108.718.4-174.368.1-4.2000114.4F53 T61F53-N59 WeakPolarHBondContact O-CA 3.45Å; N59-T61 PolarHBondContact O-N 3.3Å; N59-T61 VanDerWaalsContact O-N 3.1Å; N59-T61 WeakPolarHBondContact OD1-CB 3.38Å; N59-T61 VanDerWaalsContact OD1-CG2 3.27Å; N59-T61 WeakPolarHBondContact OD1-CG2 2.95Å; N59-T61 PolarHBondContact OD1-N 3.18Å; N59-T61 PolarHBondContact OD1-OG1 3.28Å
60C88.7Confident75.4Confident0 Ų060.9 Ų60.90%032%0.321CS..SBendtrans61.615.1179.3-157.10000115.6C49 Q50 F53 W58 T62 V63C49-C60 HydrophobicContact CB-CB 3.96Å; C49-C60 WeakPolarHBondContact CB-SG 3.18Å; C49-C60 WeakPolarHBondContact SG-CB 3.1Å; C49-C60 CovalentContact SG-SG 2.03Å; C49-C60 PolarHBondContact SG-SG 3.42Å; Q50-C60 HydrophobicContact CG-CB 4.08Å; F53-C60 HydrophobicContact CB-CB 4.44Å; W58-C60 HydrophobicContact CE3-CB 4.41Å; W58-C60 HydrophobicContact CH2-CB 3.55Å; W58-C60 WeakPolarHBondContact CH2-SG 3.48Å; W58-C60 HydrophobicContact CZ2-CB 3.94Å; W58-C60 HydrophobicContact CZ3-CB 3.81Å; C60-T62 VanDerWaalsContact C-N 3.32Å; C60-T62 PolarHBondContact O-N 3.2Å; C60-V63 WeakPolarHBondContact O-CB 3.44Å; C60-V63 PolarHBondContact O-N 3.11Å; C60-V63 VanDerWaalsContact SG-CG2 3.5Å
61T86Confident73.4Confident62 Ų6258.6 Ų58.638%0.3831%0.311SS..THydrogen-bonded Turntrans-73.2-23.8176.651.20000113.3N59 V63 L259N59-T61 PolarHBondContact O-N 3.3Å; N59-T61 VanDerWaalsContact O-N 3.1Å; N59-T61 WeakPolarHBondContact OD1-CB 3.38Å; N59-T61 VanDerWaalsContact OD1-CG2 3.27Å; N59-T61 WeakPolarHBondContact OD1-CG2 2.95Å; N59-T61 PolarHBondContact OD1-N 3.18Å; N59-T61 PolarHBondContact OD1-OG1 3.28Å; T61-V63 PolarHBondContact O-N 3.47Å; T61-L259 WeakPolarHBondContact OG1-CD1 3.48Å
62T77.9Confident71.5Confident46 Ų4655.1 Ų55.128%0.28230%0.301SS..THydrogen-bonded Turntrans-73.9-6175.6520000113.7W58 C60 E64 G257 L259W58-T62 PolarHBondContact NE1-OG1 3.39Å; C60-T62 VanDerWaalsContact C-N 3.32Å; C60-T62 PolarHBondContact O-N 3.2Å; T62-E64 PolarHBondContact O-N 3.29Å; T62-G257 VanDerWaalsContact CG2-O 3.3Å; T62-G257 WeakPolarHBondContact CG2-O 3.47Å; T62-G257 PolarHBondContact OG1-O 3.35Å; T62-L259 HydrophobicContact CG2-CD1 3.73Å; T62-L259 HydrophobicContact CG2-CD2 3.82Å; T62-L259 HydrophobicContact CG2-CG 3.52Å
63V69.3Low70.2Confident4 Ų453.1 Ų53.12%0.02429%0.293CS..SBendtrans-86.992.3175.8179.10000108V46 W58 C60 T61 I71 V83V46-V63 WeakPolarHBondContact CG1-O 3.15Å; V46-V63 HydrophobicContact CG2-CG1 3.84Å; W58-V63 HydrophobicContact CH2-CG2 4.38Å; W58-V63 HydrophobicContact CZ2-CG2 3.84Å; C60-V63 WeakPolarHBondContact O-CB 3.44Å; C60-V63 PolarHBondContact O-N 3.11Å; C60-V63 VanDerWaalsContact SG-CG2 3.5Å; T61-V63 PolarHBondContact O-N 3.47Å; V63-I71 HydrophobicContact CB-CG2 3.94Å; V63-I71 HydrophobicContact CG1-CG2 3.19Å; V63-I71 HydrophobicContact CG2-CG2 4.47Å; V63-V83 HydrophobicContact CG1-CG1 4.27Å; V63-V83 HydrophobicContact CG2-CG2 4.02Å
64E65.2Low69.1Low114 Ų11462 Ų6253%0.53333%0.331SS..  trans-63.6150.6176.7-70.5-171156.700111.6T62 I71T62-E64 PolarHBondContact O-N 3.29Å; E64-I71 HydrophobicContact CB-CG1 4.06Å; E64-I71 WeakPolarHBondContact O-CD1 3.35Å; E64-I71 WeakPolarHBondContact O-CG1 3.39Å
65G52.8Low68.6Low41 Ų4162 Ų6242%0.42333%0.325SS..SBendtrans-91-3.2179.600000115.1
66S46.2Very low68.2Low98 Ų9857.7 Ų57.769%0.68530%0.302SS*.SBendtrans-111.24.8-15435.40000116.5
67G47.4Very low67.9Low17 Ų1755.5 Ų55.518%0.17529%0.294CS..  trans-162.9125.617900000116.6G69 I71G67-G69 PolarHBondContact O-N 3.22Å; G67-I71 WeakPolarHBondContact O-CD1 3.35Å
68F51.2Low67.6Low45 Ų4553.8 Ų53.820%0.19729%0.287CS..THydrogen-bonded Turntrans-63.890.4175.5-68.8-89.5000111.2I17 G19 L20 M35 I38 I42 F143I17-F68 HydrophobicContact CG2-CD2 3.86Å; I17-F68 HydrophobicContact CG2-CE2 4.4Å; G19-F68 CarbonylContact C-O 3.5Å; G19-F68 WeakPolarHBondContact CA-O 3.35Å; G19-F68 VanDerWaalsContact O-O 3.09Å; L20-F68 HydrophobicContact CD2-CB 3.71Å; L20-F68 HydrophobicContact CD2-CD1 4.26Å; L20-F68 HydrophobicContact CD2-CD2 3.8Å; L20-F68 HydrophobicContact CD2-CE2 4.49Å; L20-F68 HydrophobicContact CD2-CG 3.67Å; M35-F68 HydrophobicContact CE-CE2 3.85Å; M35-F68 HydrophobicContact CE-CZ 3.97Å; I38-F68 HydrophobicContact CB-CZ 4.3Å; I38-F68 HydrophobicContact CG2-CE1 3.62Å; I38-F68 HydrophobicContact CG2-CZ 3.39Å; I42-F68 HydrophobicContact CD1-CD1 4.01Å; I42-F68 HydrophobicContact CD1-CE1 3.26Å; I42-F68 HydrophobicContact CD1-CE2 4.21Å; I42-F68 HydrophobicContact CD1-CZ 3.39Å; F68-F143 AromaticContact CD1-CE1 3.89Å; F68-F143 HydrophobicContact CD1-CE1 3.89Å; F68-F143 HydrophobicContact CD1-CZ 4.43Å; F68-F143 AromaticContact CE1-CE1 3.49Å; F68-F143 HydrophobicContact CE1-CE1 3.49Å; F68-F143 VanDerWaalsContact CE1-CE1 3.49Å; F68-F143 HydrophobicContact CE1-CZ 4.11Å; F68-F143 HydrophobicContact CZ-CE1 4.07Å; F68-F143 HydrophobicContact CZ-CZ 4.33Å
69G42Very low67.5Low49 Ų4953.5 Ų53.551%0.50529%0.286SS..THydrogen-bonded Turntrans133.5-5.4168.400000116.8G67G67-G69 PolarHBondContact O-N 3.22Å
70R44.5Very low67.4Low228 Ų22851.7 Ų51.786%0.8628%0.277SS*.THydrogen-bonded Turntrans-96.5-8.4175.4-93.4-177.5163.2-175.7-4.6115.1
71I48.1Very low67.4Low25 Ų2551.7 Ų51.713%0.12828%0.277CS..  trans-100.2-3.2-157.7-66.7156000114.3V63 E64 G67 L73V63-I71 HydrophobicContact CB-CG2 3.94Å; V63-I71 HydrophobicContact CG1-CG2 3.19Å; V63-I71 HydrophobicContact CG2-CG2 4.47Å; E64-I71 HydrophobicContact CB-CG1 4.06Å; E64-I71 WeakPolarHBondContact O-CD1 3.35Å; E64-I71 WeakPolarHBondContact O-CG1 3.39Å; G67-I71 WeakPolarHBondContact O-CD1 3.35Å; I71-L73 PolarHBondContact O-N 2.76Å
72M53.9Low67.7Low59 Ų5948.8 Ų48.829%0.29126%0.259SS..SBendtrans-96.8111.6-171.1-63.5-67.3175.900109.6K74 V83 Y84M72-K74 PolarHBondContact O-N 2.01Å; M72-V83 HydrophobicContact CE-CG1 4.01Å; M72-V83 HydrophobicContact SD-CG1 3.69Å; M72-Y84 HydrophobicContact CB-CE2 4.18Å; M72-Y84 WeakPolarHBondContact CB-OH 3.2Å; M72-Y84 HydrophobicContact CE-CD1 4.08Å; M72-Y84 HydrophobicContact CE-CE1 3.98Å; M72-Y84 HydrophobicContact CE-CE2 4.47Å; M72-Y84 HydrophobicContact CE-CG 4.39Å; M72-Y84 HydrophobicContact CG-CE1 4.24Å; M72-Y84 HydrophobicContact CG-CE2 3.98Å; M72-Y84 WeakPolarHBondContact CG-OH 3.31Å; M72-Y84 HydrophobicContact SD-CD1 4.28Å; M72-Y84 HydrophobicContact SD-CD2 3.84Å; M72-Y84 HydrophobicContact SD-CE1 3.96Å; M72-Y84 HydrophobicContact SD-CE2 3.45Å; M72-Y84 WeakPolarHBondContact SD-CE2 3.42Å; M72-Y84 HydrophobicContact SD-CG 4.22Å; M72-Y84 VanDerWaalsContact SD-CZ 3.52Å
73L61.6Low68.3Low17 Ų1746.8 Ų46.89%0.08925%0.246CC..  trans-30115.4163-73.6165.8000108.3W58 I71 L75 E79 A80 R155 T256W58-L73 HydrophobicContact CZ2-CD1 3.9Å; I71-L73 PolarHBondContact O-N 2.76Å; L73-L75 PolarHBondContact O-N 2.8Å; L73-L75 VanDerWaalsContact O-O 3.08Å; L73-E79 HydrophobicContact CD1-CB 3.75Å; L73-A80 HydrophobicContact CB-CB 4.03Å; L73-A80 HydrophobicContact CD1-CB 4.18Å; L73-R155 PolarHBondContact O-NH2 3.49Å; L73-T256 VanDerWaalsContact CD2-O 3.3Å; L73-T256 WeakPolarHBondContact CD2-O 3.28Å
74K68.2Low69.4Low189 Ų18947.8 Ų47.882%0.82225%0.25SC*.SBendtrans-58.3-25.5-173.7-72.8-176.4179.8176.80111.5M72M72-K74 PolarHBondContact O-N 2.01Å
75L79.4Confident70.7Confident40 Ų4042.3 Ų42.321%0.20922%0.224CC..SBendtrans-74.5143174.8-87.376000113.7L73 S77 A80 R155 E244 P247L73-L75 PolarHBondContact O-N 2.8Å; L73-L75 VanDerWaalsContact O-O 3.08Å; L75-S77 PolarHBondContact O-N 3.07Å; L75-S77 VanDerWaalsContact O-N 3.07Å; L75-A80 WeakPolarHBondContact O-CB 3.39Å; L75-R155 PolarHBondContact O-NH1 3.05Å; L75-E244 VanDerWaalsContact CA-OE2 3.23Å; L75-E244 WeakPolarHBondContact CA-OE2 3.31Å; L75-P247 HydrophobicContact CD2-CG 4.39Å
76G84Confident72.6Confident0 Ų040.5 Ų40.50%021%0.205CC..  trans-7042.6160.200000114.4Y242 F243 E244G76-Y242 WeakPolarHBondContact O-CB 3.31Å; G76-F243 PolarHBondContact O-N 3.31Å; G76-E244 PolarHBondContact N-OE2 3.17Å; G76-E244 PolarHBondContact O-N 2.76Å
77S85.8Confident74.8Confident1 Ų136.8 Ų36.81%0.00718%0.179CC..  trans-80.9168.6-179.969.30000113.4L75 E79 A80 A81L75-S77 PolarHBondContact O-N 3.07Å; L75-S77 VanDerWaalsContact O-N 3.07Å; S77-E79 VanDerWaalsContact C-N 3.29Å; S77-E79 PolarHBondContact O-N 2.92Å; S77-E79 PolarHBondContact OG-OE2 3.42Å; S77-A80 WeakPolarHBondContact O-CB 3.44Å; S77-A80 PolarHBondContact O-N 3.04Å; S77-A80 PolarHBondContact OG-N 3.26Å; S77-A81 PolarHBondContact O-N 3.19Å
78R87.3Confident77.1Confident45 Ų4536 Ų3617%0.1717%0.171CC..Hα-helixtrans-57.3-42.4173.2-177.3-17463.7146.8-0.4112A80 A81 F82 P206 D207 Y242R78-A80 VanDerWaalsContact C-N 3.33Å; R78-A80 PolarHBondContact O-N 3.42Å; R78-A81 WeakPolarHBondContact O-CB 3.48Å; R78-A81 PolarHBondContact O-N 3.03Å; R78-F82 PolarHBondContact O-N 3.42Å; R78-F82 VanDerWaalsContact O-N 3.09Å; R78-P206 WeakPolarHBondContact CD-O 3.1Å; R78-P206 WeakPolarHBondContact CG-O 2.98Å; R78-D207 IonicContact NH1-OD1 3.61Å; R78-D207 PolarHBondContact NH1-OD1 3.35Å; R78-Y242 HydrophobicContact CB-CD1 3.99Å; R78-Y242 HydrophobicContact CB-CD2 4.36Å; R78-Y242 HydrophobicContact CB-CE1 4.05Å; R78-Y242 HydrophobicContact CB-CE2 4.39Å; R78-Y242 HydrophobicContact CB-CG 4.16Å; R78-Y242 HydrophobicContact CG-CD1 4.27Å; R78-Y242 HydrophobicContact CG-CE1 4.12Å
79E87.4Confident79.3Confident5 Ų533.9 Ų33.92%0.02316%0.161CC..Hα-helixtrans-64.4-40.4179-65.670.8-140.200110.7F53 W58 L73 S77 A81 F82 V83 S246 Y249F53-E79 HydrophobicContact CE1-CG 4.27Å; W58-E79 HydrophobicContact CB-CG 4.42Å; W58-E79 HydrophobicContact CD2-CB 3.93Å; W58-E79 HydrophobicContact CD2-CG 3.74Å; W58-E79 HydrophobicContact CE3-CB 3.69Å; W58-E79 HydrophobicContact CE3-CG 3.39Å; W58-E79 HydrophobicContact CG-CG 4.2Å; W58-E79 HydrophobicContact CH2-CB 4.02Å; W58-E79 HydrophobicContact CZ2-CB 4.24Å; W58-E79 HydrophobicContact CZ3-CB 3.74Å; W58-E79 HydrophobicContact CZ3-CG 3.89Å; L73-E79 HydrophobicContact CD1-CB 3.75Å; S77-E79 VanDerWaalsContact C-N 3.29Å; S77-E79 PolarHBondContact O-N 2.92Å; S77-E79 PolarHBondContact OG-OE2 3.42Å; E79-A81 PolarHBondContact O-N 2.86Å; E79-F82 PolarHBondContact O-N 2.87Å; E79-V83 WeakPolarHBondContact O-CG2 3.37Å; E79-V83 PolarHBondContact O-N 3.07Å; E79-S246 PolarHBondContact OE1-OG 3.39Å; E79-S246 VanDerWaalsContact OE2-CB 3.31Å; E79-S246 WeakPolarHBondContact OE2-CB 3.5Å; E79-S246 PolarHBondContact OE2-OG 2.96Å; E79-Y249 HydrophobicContact CG-CE2 4.2Å; E79-Y249 PolarHBondContact OE2-OH 2.93Å
80A88.1Confident81.8Confident1 Ų131.6 Ų31.61%0.00814%0.138CC..Hα-helixtrans-61.2-45.5174.500000111.3L73 L75 S77 R78 F82 V83 Y84L73-A80 HydrophobicContact CB-CB 4.03Å; L73-A80 HydrophobicContact CD1-CB 4.18Å; L75-A80 WeakPolarHBondContact O-CB 3.39Å; S77-A80 WeakPolarHBondContact O-CB 3.44Å; S77-A80 PolarHBondContact O-N 3.04Å; S77-A80 PolarHBondContact OG-N 3.26Å; R78-A80 VanDerWaalsContact C-N 3.33Å; R78-A80 PolarHBondContact O-N 3.42Å; A80-F82 VanDerWaalsContact C-N 3.27Å; A80-F82 PolarHBondContact O-N 2.74Å; A80-V83 PolarHBondContact O-N 3.49Å; A80-V83 VanDerWaalsContact O-N 3.13Å; A80-Y84 VanDerWaalsContact O-CD2 3.27Å; A80-Y84 WeakPolarHBondContact O-CD2 3.38Å; A80-Y84 PolarHBondContact O-N 2.62Å
81A89.9Confident84.3Confident0 Ų021 Ų210%010%0.098CC..Hα-helixtrans-55.7-43.2177.400000112.5S77 R78 E79 A85 N162 L240 V241S77-A81 PolarHBondContact O-N 3.19Å; R78-A81 WeakPolarHBondContact O-CB 3.48Å; R78-A81 PolarHBondContact O-N 3.03Å; E79-A81 PolarHBondContact O-N 2.86Å; A81-A85 PolarHBondContact O-N 2.87Å; A81-N162 VanDerWaalsContact CA-ND2 3.3Å; A81-N162 WeakPolarHBondContact CA-ND2 3.36Å; A81-N162 WeakPolarHBondContact CB-ND2 3.49Å; A81-L240 HydrophobicContact CB-CB 4.26Å; A81-V241 WeakPolarHBondContact CB-O 3.19Å
82F91Very high86.7Confident1 Ų119.8 Ų19.80%0.0049%0.092CC..Hα-helixtrans-63.2-47174.9-177.2-90000112.2C49 Q52 F53 R78 E79 A80 Y84 A85 I86 V204 P206 L240C49-F82 HydrophobicContact CB-CE1 4.2Å; Q52-F82 HydrophobicContact CB-CZ 4.24Å; Q52-F82 HydrophobicContact CG-CZ 4.26Å; F53-F82 HydrophobicContact CD2-CD1 4.18Å; F53-F82 HydrophobicContact CD2-CE1 4.01Å; F53-F82 HydrophobicContact CD2-CZ 4.49Å; F53-F82 HydrophobicContact CE2-CB 4.4Å; F53-F82 AromaticContact CE2-CD1 3.4Å; F53-F82 HydrophobicContact CE2-CD1 3.4Å; F53-F82 HydrophobicContact CE2-CD2 4.07Å; F53-F82 AromaticContact CE2-CE1 3.52Å; F53-F82 HydrophobicContact CE2-CE1 3.52Å; F53-F82 HydrophobicContact CE2-CE2 4.15Å; F53-F82 AromaticContact CE2-CG 3.69Å; F53-F82 HydrophobicContact CE2-CG 3.69Å; F53-F82 AromaticContact CE2-CZ 3.89Å; F53-F82 HydrophobicContact CE2-CZ 3.89Å; F53-F82 HydrophobicContact CZ-CB 4.36Å; F53-F82 HydrophobicContact CZ-CD1 4.17Å; F53-F82 HydrophobicContact CZ-CD2 4.49Å; F53-F82 HydrophobicContact CZ-CG 4.09Å; R78-F82 PolarHBondContact O-N 3.42Å; R78-F82 VanDerWaalsContact O-N 3.09Å; E79-F82 PolarHBondContact O-N 2.87Å; A80-F82 VanDerWaalsContact C-N 3.27Å; A80-F82 PolarHBondContact O-N 2.74Å; F82-Y84 VanDerWaalsContact C-N 3.33Å; F82-Y84 PolarHBondContact O-N 3.34Å; F82-A85 PolarHBondContact O-N 2.95Å; F82-A85 VanDerWaalsContact O-N 3.12Å; F82-I86 HydrophobicContact CD1-CB 4.4Å; F82-I86 HydrophobicContact CD1-CG2 4.02Å; F82-I86 HydrophobicContact CE1-CB 3.94Å; F82-I86 HydrophobicContact CE1-CG1 4.32Å; F82-I86 HydrophobicContact CE1-CG2 3.78Å; F82-I86 HydrophobicContact CZ-CB 4.23Å; F82-I86 HydrophobicContact CZ-CG1 4.39Å; F82-I86 WeakPolarHBondContact O-CG2 3.35Å; F82-I86 PolarHBondContact O-N 3.22Å; F82-V204 HydrophobicContact CD2-CB 4.36Å; F82-V204 HydrophobicContact CD2-CG1 4.01Å; F82-V204 HydrophobicContact CE2-CB 3.96Å; F82-V204 HydrophobicContact CE2-CG1 4.13Å; F82-V204 WeakPolarHBondContact CE2-O 3.35Å; F82-P206 HydrophobicContact CD2-CB 3.81Å; F82-P206 HydrophobicContact CE2-CB 4.13Å; F82-L240 HydrophobicContact CB-CD1 4.07Å; F82-L240 HydrophobicContact CD2-CD1 4.2Å
83V91.1Very high88.8Confident3 Ų317.4 Ų17.42%0.0188%0.08CC..Hα-helixtrans-57-44.6179.7172.80000111.5W58 V63 M72 E79 A80 A85 S87W58-V83 HydrophobicContact CH2-CG2 3.52Å; W58-V83 HydrophobicContact CZ2-CG2 4.03Å; V63-V83 HydrophobicContact CG1-CG1 4.27Å; V63-V83 HydrophobicContact CG2-CG2 4.02Å; M72-V83 HydrophobicContact CE-CG1 4.01Å; M72-V83 HydrophobicContact SD-CG1 3.69Å; E79-V83 WeakPolarHBondContact O-CG2 3.37Å; E79-V83 PolarHBondContact O-N 3.07Å; A80-V83 PolarHBondContact O-N 3.49Å; A80-V83 VanDerWaalsContact O-N 3.13Å; V83-A85 PolarHBondContact O-N 3.02Å; V83-S87 WeakPolarHBondContact O-CB 3.4Å; V83-S87 PolarHBondContact O-N 2.91Å; V83-S87 PolarHBondContact O-OG 3.39Å
84Y91.5Very high90.5Very high25 Ų2516.6 Ų16.610%0.0988%0.076CC..Hα-helixtrans-61.3-44.6176.4-85.6-81.6000112.3M72 A80 F82 T88 M158 N159 N163M72-Y84 HydrophobicContact CB-CE2 4.18Å; M72-Y84 WeakPolarHBondContact CB-OH 3.2Å; M72-Y84 HydrophobicContact CE-CD1 4.08Å; M72-Y84 HydrophobicContact CE-CE1 3.98Å; M72-Y84 HydrophobicContact CE-CE2 4.47Å; M72-Y84 HydrophobicContact CE-CG 4.39Å; M72-Y84 HydrophobicContact CG-CE1 4.24Å; M72-Y84 HydrophobicContact CG-CE2 3.98Å; M72-Y84 WeakPolarHBondContact CG-OH 3.31Å; M72-Y84 HydrophobicContact SD-CD1 4.28Å; M72-Y84 HydrophobicContact SD-CD2 3.84Å; M72-Y84 HydrophobicContact SD-CE1 3.96Å; M72-Y84 HydrophobicContact SD-CE2 3.45Å; M72-Y84 WeakPolarHBondContact SD-CE2 3.42Å; M72-Y84 HydrophobicContact SD-CG 4.22Å; M72-Y84 VanDerWaalsContact SD-CZ 3.52Å; A80-Y84 VanDerWaalsContact O-CD2 3.27Å; A80-Y84 WeakPolarHBondContact O-CD2 3.38Å; A80-Y84 PolarHBondContact O-N 2.62Å; F82-Y84 VanDerWaalsContact C-N 3.33Å; F82-Y84 PolarHBondContact O-N 3.34Å; Y84-T88 WeakPolarHBondContact O-CB 3.43Å; Y84-T88 PolarHBondContact O-N 3.33Å; Y84-T88 PolarHBondContact O-OG1 3.3Å; Y84-M158 HydrophobicContact CD2-CE 4.48Å; Y84-N159 HydrophobicContact CD1-CB 3.96Å; Y84-N159 HydrophobicContact CE1-CB 3.75Å; Y84-N159 VanDerWaalsContact CE1-CG 3.47Å; Y84-N159 WeakPolarHBondContact CE2-OD1 3.06Å; Y84-N159 HydrophobicContact CG-CB 4.43Å; Y84-N159 PolarHBondContact OH-ND2 2.93Å; Y84-N159 VanDerWaalsContact OH-ND2 3.11Å; Y84-N163 WeakPolarHBondContact CB-OD1 3.47Å; Y84-N163 WeakPolarHBondContact CD1-OD1 3.41Å; Y84-N163 PolarHBondContact O-OD1 3.27Å
85A93.1Very high91.9Very high0 Ų07.6 Ų7.60%04%0.037CC..Hα-helixtrans-66.5-50.6-179.600000112.3A81 F82 V83 T88 A89 N162 G166 V204 L240A81-A85 PolarHBondContact O-N 2.87Å; F82-A85 PolarHBondContact O-N 2.95Å; F82-A85 VanDerWaalsContact O-N 3.12Å; V83-A85 PolarHBondContact O-N 3.02Å; A85-T88 PolarHBondContact O-N 3.05Å; A85-A89 WeakPolarHBondContact O-CB 3.44Å; A85-A89 PolarHBondContact O-N 3.41Å; A85-N162 WeakPolarHBondContact CA-O 2.9Å; A85-N162 HydrophobicContact CB-CB 4.49Å; A85-N162 WeakPolarHBondContact CB-O 3.45Å; A85-G166 VanDerWaalsContact O-CA 3.31Å; A85-G166 WeakPolarHBondContact O-CA 3.38Å; A85-V204 HydrophobicContact CB-CG1 3.73Å; A85-V204 HydrophobicContact CB-CG2 4.46Å; A85-L240 HydrophobicContact CB-CD2 3.45Å; A85-L240 VanDerWaalsContact CB-CD2 3.45Å
86I92.8Very high92.8Very high2 Ų25.7 Ų5.71%0.013%0.027CC..Hα-helixtrans-68-37.4-178.6-163.365.3000111.7E48 C49 F82 A89 S90 F199 V204E48-I86 HydrophobicContact CG-CD1 4.03Å; E48-I86 HydrophobicContact CG-CG1 4.33Å; C49-I86 HydrophobicContact CB-CG2 4.23Å; F82-I86 HydrophobicContact CD1-CB 4.4Å; F82-I86 HydrophobicContact CD1-CG2 4.02Å; F82-I86 HydrophobicContact CE1-CB 3.94Å; F82-I86 HydrophobicContact CE1-CG1 4.32Å; F82-I86 HydrophobicContact CE1-CG2 3.78Å; F82-I86 HydrophobicContact CZ-CB 4.23Å; F82-I86 HydrophobicContact CZ-CG1 4.39Å; F82-I86 WeakPolarHBondContact O-CG2 3.35Å; F82-I86 PolarHBondContact O-N 3.22Å; I86-A89 PolarHBondContact O-N 3.39Å; I86-S90 VanDerWaalsContact O-CB 3.32Å; I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 3.45Å; I86-S90 PolarHBondContact O-OG 3.23Å; I86-F199 HydrophobicContact CD1-CE1 3.87Å; I86-F199 HydrophobicContact CD1-CZ 3.58Å; I86-F199 HydrophobicContact CG1-CE1 4.18Å; I86-F199 HydrophobicContact CG1-CZ 4.07Å; I86-V204 HydrophobicContact CD1-CG2 4.18Å
87S92.9Very high93.4Very high20 Ų2011.1 Ų11.114%0.145%0.048CC..Hα-helixtrans-62.4-47.6175.2-61.20000110.5V83 A89 S90 V91V83-S87 WeakPolarHBondContact O-CB 3.4Å; V83-S87 PolarHBondContact O-N 2.91Å; V83-S87 PolarHBondContact O-OG 3.39Å; S87-A89 PolarHBondContact O-N 2.92Å; S87-S90 PolarHBondContact O-N 2.97Å; S87-S90 PolarHBondContact O-OG 3.26Å; S87-V91 WeakPolarHBondContact O-CG2 3.41Å; S87-V91 PolarHBondContact O-N 2.93Å
88T95.3Very high93.9Very high1 Ų111.7 Ų11.71%0.0065%0.051CC..Hα-helixtrans-64.1-42.2177.1-57.60000111.8Y84 A85 S90 V91 V92 S140 N163 R167Y84-T88 WeakPolarHBondContact O-CB 3.43Å; Y84-T88 PolarHBondContact O-N 3.33Å; Y84-T88 PolarHBondContact O-OG1 3.3Å; A85-T88 PolarHBondContact O-N 3.05Å; T88-S90 VanDerWaalsContact C-N 3.33Å; T88-S90 PolarHBondContact O-N 2.02Å; T88-V91 PolarHBondContact O-N 2.89Å; T88-V92 HydrophobicContact CG2-CG2 4.33Å; T88-V92 WeakPolarHBondContact O-CG2 3.28Å; T88-V92 PolarHBondContact O-N 2.84Å; T88-S140 WeakPolarHBondContact CG2-OG 3.18Å; T88-N163 HydrophobicContact CG2-CB 4.14Å; T88-N163 WeakPolarHBondContact CG2-O 3.41Å; T88-N163 WeakPolarHBondContact OG1-CA 3.45Å; T88-N163 WeakPolarHBondContact OG1-CB 3.27Å; T88-N163 VanDerWaalsContact OG1-CG 3.24Å; T88-N163 PolarHBondContact OG1-OD1 3.42Å; T88-R167 HydrophobicContact CG2-CG 3.76Å
89A96.7Very high94.4Very high0 Ų09.7 Ų9.70%04%0.044CC..Hα-helixtrans-58.8-45.4176.500000111.3A85 I86 S87 V91 V92 H93 V170 F199 V202A85-A89 WeakPolarHBondContact O-CB 3.44Å; A85-A89 PolarHBondContact O-N 3.41Å; I86-A89 PolarHBondContact O-N 3.39Å; S87-A89 PolarHBondContact O-N 2.92Å; A89-V91 PolarHBondContact O-N 3.47Å; A89-V92 PolarHBondContact O-N 3.44Å; A89-H93 VanDerWaalsContact O-CB 3.27Å; A89-H93 WeakPolarHBondContact O-CB 3.4Å; A89-H93 PolarHBondContact O-N 3.17Å; A89-V170 HydrophobicContact CB-CG2 3.69Å; A89-V170 VanDerWaalsContact O-CG2 3.27Å; A89-V170 WeakPolarHBondContact O-CG2 3.37Å; A89-F199 HydrophobicContact CB-CE2 4.14Å; A89-F199 HydrophobicContact CB-CZ 4.29Å; A89-V202 HydrophobicContact CB-CG1 4.27Å
90S96Very high94.8Very high1 Ų110.9 Ų10.91%0.0075%0.053CC..Hα-helixtrans-63.7-39.8-179.975.80000112.7G41 I86 S87 T88 S94 F199G41-S90 WeakPolarHBondContact O-CB 3.15Å; G41-S90 PolarHBondContact O-OG 3.48Å; I86-S90 VanDerWaalsContact O-CB 3.32Å; I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 3.45Å; I86-S90 PolarHBondContact O-OG 3.23Å; S87-S90 PolarHBondContact O-N 2.97Å; S87-S90 PolarHBondContact O-OG 3.26Å; T88-S90 VanDerWaalsContact C-N 3.33Å; T88-S90 PolarHBondContact O-N 2.02Å; S90-S94 WeakPolarHBondContact O-CB 3.31Å; S90-S94 PolarHBondContact O-N 3.1Å; S90-F199 VanDerWaalsContact CA-CZ 3.44Å
91V95.9Very high95.2Very high5 Ų514 Ų143%0.038%0.075CC..Hα-helixtrans-65.2-47.1175.8169.10000110.9I38 I42 S87 T88 A89 H93 S94 I95 V144I38-V91 HydrophobicContact CG1-CG1 4.16Å; I38-V91 HydrophobicContact CG2-CG1 4.06Å; I38-V91 HydrophobicContact CG2-CG2 3.8Å; I42-V91 HydrophobicContact CG1-CG2 3.95Å; S87-V91 WeakPolarHBondContact O-CG2 3.41Å; S87-V91 PolarHBondContact O-N 2.93Å; T88-V91 PolarHBondContact O-N 2.89Å; A89-V91 PolarHBondContact O-N 3.47Å; V91-H93 PolarHBondContact O-N 2.92Å; V91-S94 PolarHBondContact O-N 3.22Å; V91-I95 HydrophobicContact CG1-CD1 3.73Å; V91-I95 HydrophobicContact CG1-CG1 4.42Å; V91-I95 VanDerWaalsContact O-CG1 3.26Å; V91-I95 WeakPolarHBondContact O-CG1 3.4Å; V91-I95 PolarHBondContact O-N 2.97Å; V91-V144 HydrophobicContact CG1-CG2 4.35Å
92V98Very high95.4Very high0 Ų016.9 Ų16.90%011%0.105CC..Hα-helixtrans-63.2-44.8179.1175.20000110.8T88 A89 A96 L133 A136 I137 S140 R167 V170T88-V92 HydrophobicContact CG2-CG2 4.33Å; T88-V92 WeakPolarHBondContact O-CG2 3.28Å; T88-V92 PolarHBondContact O-N 2.84Å; A89-V92 PolarHBondContact O-N 3.44Å; V92-A96 VanDerWaalsContact O-CB 3.3Å; V92-A96 WeakPolarHBondContact O-CB 3.27Å; V92-A96 PolarHBondContact O-N 2.89Å; V92-L133 HydrophobicContact CG1-CD1 3.58Å; V92-A136 HydrophobicContact CG1-CB 4.02Å; V92-A136 VanDerWaalsContact O-CB 3.3Å; V92-A136 WeakPolarHBondContact O-CB 3.21Å; V92-I137 HydrophobicContact CG1-CG1 3.77Å; V92-S140 VanDerWaalsContact CG2-CB 3.44Å; V92-S140 WeakPolarHBondContact CG2-OG 3.2Å; V92-R167 HydrophobicContact CG2-CG 3.65Å; V92-V170 HydrophobicContact CB-CG2 4.28Å; V92-V170 HydrophobicContact CG1-CB 4.21Å; V92-V170 HydrophobicContact CG1-CG1 4Å; V92-V170 HydrophobicContact CG1-CG2 4.36Å
93H98.2Very high95.6Very high9 Ų923.2 Ų23.24%0.04213%0.134CC..Hα-helixtrans-60-48.1178179.5-81.4000111.2A89 V91 A96 R97 V170 L196 P197 F199A89-H93 VanDerWaalsContact O-CB 3.27Å; A89-H93 WeakPolarHBondContact O-CB 3.4Å; A89-H93 PolarHBondContact O-N 3.17Å; V91-H93 PolarHBondContact O-N 2.92Å; H93-A96 PolarHBondContact O-N 3.39Å; H93-R97 WeakPolarHBondContact CE1-CD 3.46Å; H93-R97 PolarHBondContact O-N 3.01Å; H93-V170 HydrophobicContact CB-CG1 4.41Å; H93-V170 HydrophobicContact CB-CG2 4.49Å; H93-L196 HydrophobicContact CB-CD1 4.46Å; H93-P197 PolarHBondContact NE2-O 3.18Å; H93-F199 HydrophobicContact CB-CD2 3.86Å; H93-F199 HydrophobicContact CB-CE2 4.16Å; H93-F199 AromaticContact CD2-CD2 3.98Å; H93-F199 AromaticContact CG-CD2 3.74Å
94S97.3Very high95.7Very high0 Ų023.2 Ų23.20%013%0.134CC..Hα-helixtrans-63.8-45.9-179.2-168.20000112.9A37 G41 R44 S90 V91 S98A37-S94 WeakPolarHBondContact O-CB 3.23Å; A37-S94 PolarHBondContact O-OG 3.11Å; G41-S94 VanDerWaalsContact CA-CB 3.46Å; G41-S94 PolarHBondContact N-OG 3.27Å; R44-S94 PolarHBondContact NH2-OG 3.1Å; S90-S94 WeakPolarHBondContact O-CB 3.31Å; S90-S94 PolarHBondContact O-N 3.1Å; V91-S94 PolarHBondContact O-N 3.22Å; S94-S98 VanDerWaalsContact O-CB 3.27Å; S94-S98 WeakPolarHBondContact O-CB 3.03Å; S94-S98 PolarHBondContact O-N 2.03Å; S94-S98 PolarHBondContact O-OG 2.64Å
95I97.7Very high95.6Very high0 Ų028 Ų280%017%0.166CC..Hα-helixtrans-61.7-48.7176.6-66.1170.2000110V34 A37 I38 V91 R97 S98 C99 I104 Y135 A136 F139V34-I95 HydrophobicContact CG1-CD1 3.89Å; V34-I95 HydrophobicContact CG1-CG1 3.96Å; A37-I95 HydrophobicContact CB-CG1 4.29Å; I38-I95 HydrophobicContact CG1-CD1 4.04Å; I38-I95 HydrophobicContact CG1-CG1 4.33Å; V91-I95 HydrophobicContact CG1-CD1 3.73Å; V91-I95 HydrophobicContact CG1-CG1 4.42Å; V91-I95 VanDerWaalsContact O-CG1 3.26Å; V91-I95 WeakPolarHBondContact O-CG1 3.4Å; V91-I95 PolarHBondContact O-N 2.97Å; I95-R97 VanDerWaalsContact C-N 3.33Å; I95-R97 PolarHBondContact O-N 3.41Å; I95-S98 PolarHBondContact O-N 2.68Å; I95-S98 VanDerWaalsContact O-N 3.08Å; I95-C99 PolarHBondContact O-N 3.28Å; I95-C99 PolarHBondContact O-SG 2.84Å; I95-I104 HydrophobicContact CG2-CD1 4.01Å; I95-Y135 HydrophobicContact CG2-CD1 3.85Å; I95-Y135 HydrophobicContact CG2-CE1 3.83Å; I95-A136 HydrophobicContact CB-CB 3.89Å; I95-A136 HydrophobicContact CG2-CB 3.76Å; I95-F139 HydrophobicContact CD1-CB 4.4Å; I95-F139 HydrophobicContact CD1-CD1 3.77Å; I95-F139 HydrophobicContact CD1-CE1 4.5Å; I95-F139 HydrophobicContact CD1-CG 4.32Å
96A98Very high95.4Very high0 Ų032.4 Ų32.40%019%0.189CC..Hα-helixtrans-59.2-42.3-177.500000112.6V92 H93 C99 S100 D131 A136 L196V92-A96 VanDerWaalsContact O-CB 3.3Å; V92-A96 WeakPolarHBondContact O-CB 3.27Å; V92-A96 PolarHBondContact O-N 2.89Å; H93-A96 PolarHBondContact O-N 3.39Å; A96-C99 WeakPolarHBondContact O-CB 3.35Å; A96-S100 PolarHBondContact O-N 3.28Å; A96-S100 PolarHBondContact O-OG 3.24Å; A96-D131 HydrophobicContact CB-CB 4.36Å; A96-A136 HydrophobicContact CB-CB 3.72Å; A96-L196 HydrophobicContact CB-CD1 3.68Å
97R97.1Very high95.4Very high115 Ų11532.6 Ų32.643%0.43419%0.191SC..Hα-helixtrans-72.6-30.3175.6-72-166.873116.3-0.3113.2H93 I95 C99 S100 S101 L196H93-R97 WeakPolarHBondContact CE1-CD 3.46Å; H93-R97 PolarHBondContact O-N 3.01Å; I95-R97 VanDerWaalsContact C-N 3.33Å; I95-R97 PolarHBondContact O-N 3.41Å; R97-C99 VanDerWaalsContact C-N 3.33Å; R97-S100 WeakPolarHBondContact CA-OG 3.02Å; R97-S100 PolarHBondContact O-N 2.04Å; R97-S100 PolarHBondContact O-OG 3.02Å; R97-S101 WeakPolarHBondContact O-CB 3.49Å; R97-S101 PolarHBondContact O-N 3.36Å; R97-S101 PolarHBondContact O-OG 2.91Å; R97-L196 PolarHBondContact NH1-O 2.69Å
98S97.2Very high95.5Very high12 Ų1235.3 Ų35.38%0.08421%0.207CC..Hα-helixtrans-70.3-34.2177.1-60.90000111.2A37 S94 I95 S101 G102 H103A37-S98 WeakPolarHBondContact CB-OG 3.25Å; S94-S98 VanDerWaalsContact O-CB 3.27Å; S94-S98 WeakPolarHBondContact O-CB 3.03Å; S94-S98 PolarHBondContact O-N 2.03Å; S94-S98 PolarHBondContact O-OG 2.64Å; I95-S98 PolarHBondContact O-N 2.68Å; I95-S98 VanDerWaalsContact O-N 3.08Å; S98-S101 WeakPolarHBondContact CA-OG 3.3Å; S98-S101 PolarHBondContact O-OG 2.8Å; S98-G102 PolarHBondContact O-N 2.88Å; S98-H103 PolarHBondContact O-N 3.36Å
99C97.3Very high95.6Very high3 Ų336.9 Ų36.92%0.0222%0.217CC..Hα-helixtrans-61.4-48.6170-61.20000112.2I95 A96 R97 S101 G102 C107 N132I95-C99 PolarHBondContact O-N 3.28Å; I95-C99 PolarHBondContact O-SG 2.84Å; A96-C99 WeakPolarHBondContact O-CB 3.35Å; R97-C99 VanDerWaalsContact C-N 3.33Å; C99-S101 VanDerWaalsContact C-N 3.29Å; C99-S101 PolarHBondContact O-N 2.04Å; C99-G102 PolarHBondContact O-N 3.24Å; C99-C107 HydrophobicContact CB-CB 3.76Å; C99-C107 WeakPolarHBondContact CB-SG 3.35Å; C99-C107 WeakPolarHBondContact SG-CB 3.04Å; C99-C107 CovalentContact SG-SG 2.01Å; C99-C107 PolarHBondContact SG-SG 3.32Å; C99-N132 HydrophobicContact CB-CB 3.93Å
100S96.5Very high95.6Very high30 Ų3037.6 Ų37.621%0.2122%0.221CC..Hα-helixtrans-72.7-20.7-177.9570000114.2A96 R97 C129 D131A96-S100 PolarHBondContact O-N 3.28Å; A96-S100 PolarHBondContact O-OG 3.24Å; R97-S100 WeakPolarHBondContact CA-OG 3.02Å; R97-S100 PolarHBondContact O-N 2.04Å; R97-S100 PolarHBondContact O-OG 3.02Å; S100-C129 WeakPolarHBondContact CA-SG 3.5Å; S100-C129 WeakPolarHBondContact CB-SG 3.48Å; S100-C129 PolarHBondContact O-SG 3.5Å; S100-D131 VanDerWaalsContact CB-OD1 3.25Å; S100-D131 WeakPolarHBondContact CB-OD1 3.11Å; S100-D131 PolarHBondContact OG-OD1 2.9Å
101S95.5Very high95.5Very high66 Ų6646.8 Ų46.846%0.46226%0.255SS..THydrogen-bonded Turntrans-91.80.3172.5490000114R97 S98 C99 H103R97-S101 WeakPolarHBondContact O-CB 3.49Å; R97-S101 PolarHBondContact O-N 3.36Å; R97-S101 PolarHBondContact O-OG 2.91Å; S98-S101 WeakPolarHBondContact CA-OG 3.3Å; S98-S101 PolarHBondContact O-OG 2.8Å; C99-S101 VanDerWaalsContact C-N 3.29Å; C99-S101 PolarHBondContact O-N 2.04Å; S101-H103 VanDerWaalsContact C-N 3.34Å; S101-H103 WeakPolarHBondContact CB-ND1 3.47Å; S101-H103 PolarHBondContact O-N 3.32Å; S101-H103 PolarHBondContact OG-ND1 3.45Å
102G94.9Very high95.5Very high62 Ų6255 Ų5564%0.63929%0.286SS*.THydrogen-bonded Turntrans74.319.3177.600000114.8S98 C99S98-G102 PolarHBondContact O-N 2.88Å; C99-G102 PolarHBondContact O-N 3.24Å
103H94.4Very high95.3Very high133 Ų13360.5 Ų60.562%0.61631%0.307SS*.  trans-83.7-13.8178.3-68.7120.4000113.9S98 S101S98-H103 PolarHBondContact O-N 3.36Å; S101-H103 VanDerWaalsContact C-N 3.34Å; S101-H103 WeakPolarHBondContact CB-ND1 3.47Å; S101-H103 PolarHBondContact O-N 3.32Å; S101-H103 PolarHBondContact OG-ND1 3.45Å
104I94.1Very high95.1Very high4 Ų465.5 Ų65.52%0.02134%0.338CS..SBendtrans-114.6120.6176.4-63.2170.3000107D33 V34 A37 I95 C107D33-I104 WeakPolarHBondContact OD2-CA 3.24Å; D33-I104 WeakPolarHBondContact OD2-CG2 3.37Å; V34-I104 HydrophobicContact CG1-CD1 4.47Å; V34-I104 HydrophobicContact CG2-CD1 4.19Å; V34-I104 HydrophobicContact CG2-CG1 4.41Å; V34-I104 HydrophobicContact CG2-CG2 3.69Å; A37-I104 HydrophobicContact CB-CD1 4.04Å; I95-I104 HydrophobicContact CG2-CD1 4.01Å; I104-C107 HydrophobicContact CB-CB 3.93Å; I104-C107 HydrophobicContact CG2-CB 3.5Å; I104-C107 VanDerWaalsContact CG2-CB 3.5Å; I104-C107 PolarHBondContact O-N 2.95Å; I104-C107 VanDerWaalsContact O-O 3.12Å
105V89.4Confident94.9Very high125 Ų12567.8 Ų67.876%0.75836%0.361SS*.THydrogen-bonded Turntrans-65.8-46.3-174.41790000110.6D33 C107D33-V105 PolarHBondContact OD2-N 2.88Å; V105-C107 PolarHBondContact O-N 3.49Å
106D87.7Confident94.8Very high93 Ų9376.2 Ų76.250%0.49739%0.393SS..THydrogen-bonded Turntrans-80.99.9-177.2-67-19.4000113.7H31H31-D106 IonicContact CE1-OD2 3.42Å; H31-D106 PolarHBondContact CE1-OD2 3.35Å; H31-D106 IonicContact ND1-OD2 2.68Å; H31-D106 PolarHBondContact ND1-OD2 3.06Å
107C93.4Very high94.7Very high6 Ų676.9 Ų76.94%0.04140%0.4CS..  trans-135.4115.8-176.2-166.70000112.6C99 I104 V105 Y135C99-C107 HydrophobicContact CB-CB 3.76Å; C99-C107 WeakPolarHBondContact CB-SG 3.35Å; C99-C107 WeakPolarHBondContact SG-CB 3.04Å; C99-C107 CovalentContact SG-SG 2.01Å; C99-C107 PolarHBondContact SG-SG 3.32Å; I104-C107 HydrophobicContact CB-CB 3.93Å; I104-C107 HydrophobicContact CG2-CB 3.5Å; I104-C107 VanDerWaalsContact CG2-CB 3.5Å; I104-C107 PolarHBondContact O-N 2.95Å; I104-C107 VanDerWaalsContact O-O 3.12Å; V105-C107 PolarHBondContact O-N 3.49Å; C107-Y135 HydrophobicContact CB-CD1 4.09Å; C107-Y135 HydrophobicContact CB-CD2 4.42Å; C107-Y135 HydrophobicContact CB-CE1 3.85Å; C107-Y135 HydrophobicContact CB-CE2 4.17Å; C107-Y135 HydrophobicContact CB-CG 4.37Å; C107-Y135 WeakPolarHBondContact SG-CD1 3.4Å
108T95Very high94.6Very high77 Ų7779.1 Ų79.147%0.47242%0.415SS..  trans-95.5175.3177.167.10000112.1N132T108-N132 WeakPolarHBondContact O-CB 3.39Å; T108-N132 PolarHBondContact O-ND2 3.09Å
109C96.4Very high94.4Very high34 Ų3481.1 Ų81.123%0.2343%0.425CS..  trans-50.6152.9161.4-45.50000111.9R111 C129 S130C109-R111 PolarHBondContact O-N 3.13Å; C109-C129 HydrophobicContact CB-CB 4.03Å; C109-C129 WeakPolarHBondContact CB-SG 3.35Å; C109-C129 WeakPolarHBondContact SG-CB 3.27Å; C109-C129 CovalentContact SG-SG 2.02Å; C109-C129 PolarHBondContact SG-SG 3.38Å; C109-S130 WeakPolarHBondContact CA-O 3.34Å
110D97Very high94.2Very high14 Ų1488 Ų888%0.07547%0.467CS..  trans-72.8110.7169.9-1742.4000110.8R112 S130 N132D110-R112 WeakPolarHBondContact OD1-CB 3.08Å; D110-R112 VanDerWaalsContact OD1-CG 3.3Å; D110-R112 WeakPolarHBondContact OD1-CG 3.04Å; D110-R112 IonicContact OD1-CZ 3.54Å; D110-R112 PolarHBondContact OD1-N 2.99Å; D110-R112 VanDerWaalsContact OD1-N 3.13Å; D110-R112 IonicContact OD1-NE 3.48Å; D110-R112 PolarHBondContact OD1-NE 3.29Å; D110-R112 IonicContact OD1-NH2 3.16Å; D110-R112 IonicContact OD2-CZ 2.76Å; D110-R112 IonicContact OD2-NE 3.5Å; D110-R112 PolarHBondContact OD2-NE 3.47Å; D110-R112 IonicContact OD2-NH2 3.54Å; D110-R112 PolarHBondContact OD2-NH2 2.76Å; D110-S130 PolarHBondContact N-O 3.26Å; D110-N132 HydrophobicContact CB-CB 4.47Å
111R94.5Very high93.9Very high195 Ų19593.2 Ų93.274%0.73649%0.488SS*.  trans-97.59.1-177.4-66.8-176.9170.6166.1-2114.3C109 R113C109-R111 PolarHBondContact O-N 3.13Å; R111-R113 PolarHBondContact O-N 3.48Å
112R95.1Very high93.8Very high176 Ų17691.3 Ų91.366%0.66448%0.479SS*.SBendtrans-72.2-10.7-176.6-65.6175.6-60.8153.815.2114.1D110D110-R112 WeakPolarHBondContact OD1-CB 3.08Å; D110-R112 VanDerWaalsContact OD1-CG 3.3Å; D110-R112 WeakPolarHBondContact OD1-CG 3.04Å; D110-R112 IonicContact OD1-CZ 3.54Å; D110-R112 PolarHBondContact OD1-N 2.99Å; D110-R112 VanDerWaalsContact OD1-N 3.13Å; D110-R112 IonicContact OD1-NE 3.48Å; D110-R112 PolarHBondContact OD1-NE 3.29Å; D110-R112 IonicContact OD1-NH2 3.16Å; D110-R112 IonicContact OD2-CZ 2.76Å; D110-R112 IonicContact OD2-NE 3.5Å; D110-R112 PolarHBondContact OD2-NE 3.47Å; D110-R112 IonicContact OD2-NH2 3.54Å; D110-R112 PolarHBondContact OD2-NH2 2.76Å
113R94.2Very high93.8Very high116 Ų11693.6 Ų93.644%0.43847%0.473SS..  trans-115.1118.7178.4-63.6177.1177.6-93.1-7.3108.6R111 W126R111-R113 PolarHBondContact O-N 3.48Å; R113-W126 HydrophobicContact CB-CD2 3.69Å; R113-W126 HydrophobicContact CB-CE3 3.86Å; R113-W126 HydrophobicContact CB-CG 3.98Å; R113-W126 HydrophobicContact CB-CZ3 4.44Å; R113-W126 HydrophobicContact CG-CD2 4.45Å; R113-W126 HydrophobicContact CG-CE3 4.5Å; R113-W126 VanDerWaalsContact NH1-CZ2 3.26Å
114V93.7Very high93.9Very high115 Ų11587.8 Ų87.870%0.69745%0.446SS*.  trans-141.6163.4-177.5-65.80000109.5
115G94.7Very high94Very high48 Ų4890.2 Ų90.250%0.49546%0.463SS..SBendtrans75.6-146.3178.200000112.8W126G115-W126 WeakPolarHBondContact O-CB 3.37Å; G115-W126 PolarHBondContact O-N 3.46Å
116R95.4Very high94.4Very high177 Ų17786.2 Ų86.267%0.66843%0.434SS*.EExtended strand (participates in β ladder)trans-94.3151.6-176.1-56.5-166-172.3173.8-2.4112.2E123 F124R116-E123 HydrophobicContact CB-CG 4.42Å; R116-E123 VanDerWaalsContact CD-CD 3.48Å; R116-E123 WeakPolarHBondContact CD-OE1 3.29Å; R116-E123 IonicContact CZ-OE1 3.74Å; R116-E123 IonicContact NE-OE1 3.73Å; R116-E123 IonicContact NH1-OE1 2.94Å; R116-E123 PolarHBondContact NH1-OE1 2.94Å; R116-E123 IonicContact NH1-OE2 3.21Å; R116-E123 PolarHBondContact NH1-OE2 3.07Å; R116-F124 CarbonylContact C-O 3.59Å; R116-F124 WeakPolarHBondContact CA-O 3.36Å
117G95Very high94.7Very high14 Ų1483.1 Ų83.114%0.14442%0.424CS..EExtended strand (participates in β ladder)trans-135.5168.3173.200000110.1E123 F124G117-E123 CarbonylContact O-C 3.25Å; G117-E123 WeakPolarHBondContact O-CA 3.44Å; G117-F124 PolarHBondContact N-O 3.13Å; G117-F124 PolarHBondContact O-N 3.23Å
118Q94.5Very high94.7Very high161 Ų16186 Ų8675%0.75246%0.455SS*.EExtended strand (participates in β ladder)trans-138139.9178.8-166.8169.514.700109.2
119D93.4Very high94.7Very high55 Ų5584.1 Ų84.129%0.29445%0.445SS..EExtended strand (participates in β ladder)trans-137.3-167.1168.56830.9000109.8E121 G122 F124 R190D119-E121 PolarHBondContact O-N 2.89Å; D119-E121 WeakPolarHBondContact OD1-CA 3.3Å; D119-E121 WeakPolarHBondContact OD1-CB 3.43Å; D119-E121 PolarHBondContact OD1-N 2.98Å; D119-G122 PolarHBondContact N-O 3.15Å; D119-G122 PolarHBondContact O-N 3.27Å; D119-G122 VanDerWaalsContact O-N 3.12Å; D119-F124 HydrophobicContact CB-CE1 4.07Å; D119-R190 IonicContact OD1-CZ 2.89Å; D119-R190 IonicContact OD1-NH1 3.48Å; D119-R190 PolarHBondContact OD1-NH1 3.26Å; D119-R190 IonicContact OD1-NH2 2.82Å; D119-R190 PolarHBondContact OD1-NH2 2.74Å; D119-R190 IonicContact OD2-CZ 3.34Å; D119-R190 IonicContact OD2-NH1 2.76Å; D119-R190 PolarHBondContact OD2-NH1 2.79Å; D119-R190 VanDerWaalsContact OD2-NH1 3.16Å; D119-R190 IonicContact OD2-NH2 3.54Å; D119-R190 PolarHBondContact OD2-NH2 3.21Å; D119-R190 VanDerWaalsContact OD2-NH2 3.13Å
120T92.9Very high94.8Very high147 Ų14782.9 Ų82.990%0.90244%0.436SS*.THydrogen-bonded Turntrans-63.7-20.5-178.649.20000114.7
121E91Very high94.8Very high140 Ų14082.5 Ų82.565%0.65444%0.435SS*.THydrogen-bonded Turntrans-93.6-3177.3-62.9173.6-16100112.5D119 R190D119-E121 PolarHBondContact O-N 2.89Å; D119-E121 WeakPolarHBondContact OD1-CA 3.3Å; D119-E121 WeakPolarHBondContact OD1-CB 3.43Å; D119-E121 PolarHBondContact OD1-N 2.98Å; E121-R190 IonicContact OE2-CZ 2.98Å; E121-R190 IonicContact OE2-NH1 3.33Å; E121-R190 PolarHBondContact OE2-NH1 2.91Å
122G92.1Very high95Very high25 Ų2574.3 Ų74.326%0.25841%0.405SS..EExtended strand (participates in β ladder)trans114.8-164.1176.700000114.2D119 R190D119-G122 PolarHBondContact N-O 3.15Å; D119-G122 PolarHBondContact O-N 3.27Å; D119-G122 VanDerWaalsContact O-N 3.12Å; G122-R190 PolarHBondContact O-NH2 3.06Å
123E95.3Very high95.1Very high111 Ų11166.3 Ų66.352%0.51938%0.375SS..EExtended strand (participates in β ladder)trans-68.9145.5-179.5-165.2177.7-144.900111.1R116 G117R116-E123 HydrophobicContact CB-CG 4.42Å; R116-E123 VanDerWaalsContact CD-CD 3.48Å; R116-E123 WeakPolarHBondContact CD-OE1 3.29Å; R116-E123 IonicContact CZ-OE1 3.74Å; R116-E123 IonicContact NE-OE1 3.73Å; R116-E123 IonicContact NH1-OE1 2.94Å; R116-E123 PolarHBondContact NH1-OE1 2.94Å; R116-E123 IonicContact NH1-OE2 3.21Å; R116-E123 PolarHBondContact NH1-OE2 3.07Å; G117-E123 CarbonylContact O-C 3.25Å; G117-E123 WeakPolarHBondContact O-CA 3.44Å
124F96.3Very high95.2Very high11 Ų1163 Ų635%0.04837%0.369CS..EExtended strand (participates in β ladder)trans-145.3163.4172.663.9-97.2000110.3R116 G117 D119 W126 T176 R190 C192R116-F124 CarbonylContact C-O 3.59Å; R116-F124 WeakPolarHBondContact CA-O 3.36Å; G117-F124 PolarHBondContact N-O 3.13Å; G117-F124 PolarHBondContact O-N 3.23Å; D119-F124 HydrophobicContact CB-CE1 4.07Å; F124-W126 AromaticContact CE2-CD2 3.81Å; F124-W126 HydrophobicContact CE2-CD2 3.81Å; F124-W126 AromaticContact CE2-CE2 3.6Å; F124-W126 HydrophobicContact CE2-CE3 4.15Å; F124-W126 HydrophobicContact CE2-CG 4.3Å; F124-W126 HydrophobicContact CE2-CH2 4.06Å; F124-W126 AromaticContact CE2-CZ2 3.75Å; F124-W126 HydrophobicContact CE2-CZ2 3.75Å; F124-W126 HydrophobicContact CE2-CZ3 4.27Å; F124-W126 AromaticContact CE2-NE1 3.98Å; F124-W126 AromaticContact CZ-CE2 3.99Å; F124-W126 HydrophobicContact CZ-CH2 4.08Å; F124-W126 AromaticContact CZ-CZ2 3.72Å; F124-W126 HydrophobicContact CZ-CZ2 3.72Å; F124-T176 HydrophobicContact CZ-CG2 4.42Å; F124-R190 HydrophobicContact CB-CG 3.75Å; F124-C192 VanDerWaalsContact CB-SG 3.58Å; F124-C192 HydrophobicContact CD2-CB 3.51Å; F124-C192 WeakPolarHBondContact CD2-SG 3.25Å; F124-C192 HydrophobicContact CE2-CB 3.69Å; F124-C192 HydrophobicContact CG-CB 4.14Å; F124-C192 WeakPolarHBondContact CG-SG 3.26Å; F124-C192 HydrophobicContact CZ-CB 4.43Å
125S96.9Very high95.4Very high54 Ų5459.9 Ų59.938%0.37835%0.345SS..EExtended strand (participates in β ladder)trans-98.3132171.8-62.60000110.7G127 R190 T191 C192S125-G127 PolarHBondContact O-N 3.49Å; S125-R190 PolarHBondContact N-O 3.09Å; S125-R190 VanDerWaalsContact N-O 3.13Å; S125-T191 CarbonylContact O-C 3.55Å; S125-T191 VanDerWaalsContact O-CA 3.26Å; S125-T191 WeakPolarHBondContact O-CA 3.45Å; S125-C192 PolarHBondContact O-N 3.45Å
126W97Very high95.6Very high41 Ų4157.6 Ų57.616%0.15532%0.321CS..EExtended strand (participates in β ladder)trans-65.5130.2166.1-71.8106.2000109.2R113 G115 F124 T176 C192 K194R113-W126 HydrophobicContact CB-CD2 3.69Å; R113-W126 HydrophobicContact CB-CE3 3.86Å; R113-W126 HydrophobicContact CB-CG 3.98Å; R113-W126 HydrophobicContact CB-CZ3 4.44Å; R113-W126 HydrophobicContact CG-CD2 4.45Å; R113-W126 HydrophobicContact CG-CE3 4.5Å; R113-W126 VanDerWaalsContact NH1-CZ2 3.26Å; G115-W126 WeakPolarHBondContact O-CB 3.37Å; G115-W126 PolarHBondContact O-N 3.46Å; F124-W126 AromaticContact CE2-CD2 3.81Å; F124-W126 HydrophobicContact CE2-CD2 3.81Å; F124-W126 AromaticContact CE2-CE2 3.6Å; F124-W126 HydrophobicContact CE2-CE3 4.15Å; F124-W126 HydrophobicContact CE2-CG 4.3Å; F124-W126 HydrophobicContact CE2-CH2 4.06Å; F124-W126 AromaticContact CE2-CZ2 3.75Å; F124-W126 HydrophobicContact CE2-CZ2 3.75Å; F124-W126 HydrophobicContact CE2-CZ3 4.27Å; F124-W126 AromaticContact CE2-NE1 3.98Å; F124-W126 AromaticContact CZ-CE2 3.99Å; F124-W126 HydrophobicContact CZ-CH2 4.08Å; F124-W126 AromaticContact CZ-CZ2 3.72Å; F124-W126 HydrophobicContact CZ-CZ2 3.72Å; W126-T176 HydrophobicContact CH2-CG2 4.34Å; W126-T176 HydrophobicContact CZ3-CG2 4.43Å; W126-C192 WeakPolarHBondContact CA-O 3.29Å; W126-K194 HydrophobicContact CH2-CD 4.45Å; W126-K194 HydrophobicContact CH2-CG 4.47Å; W126-K194 HydrophobicContact CZ3-CD 4.49Å; W126-K194 HydrophobicContact CZ3-CG 4.18Å
127G94.7Very high95.7Very high28 Ų2850.8 Ų50.829%0.28930%0.298SS..  trans-169.4-161.7176.700000110.7S125 T191 C192 W193S125-G127 PolarHBondContact O-N 3.49Å; G127-T191 VanDerWaalsContact CA-CG2 3.46Å; G127-C192 PolarHBondContact N-O 2.84Å; G127-W193 WeakPolarHBondContact O-CB 3.47Å
128G92.8Very high95.8Very high67 Ų6752.7 Ų52.769%0.69131%0.309SS*.SBendtrans65.4-160.8-175.600000113.1
129C96.3Very high95.9Very high37 Ų3745.6 Ų45.625%0.2528%0.276CS..  trans-115.1101.5-179.5-176.60000110.4S100 C109S100-C129 WeakPolarHBondContact CA-SG 3.5Å; S100-C129 WeakPolarHBondContact CB-SG 3.48Å; S100-C129 PolarHBondContact O-SG 3.5Å; C109-C129 HydrophobicContact CB-CB 4.03Å; C109-C129 WeakPolarHBondContact CB-SG 3.35Å; C109-C129 WeakPolarHBondContact SG-CB 3.27Å; C109-C129 CovalentContact SG-SG 2.02Å; C109-C129 PolarHBondContact SG-SG 3.38Å
130S97.6Very high96Very high8 Ų843 Ų436%0.05626%0.262CS..  trans-74.3139.7176.1-66.80000111.4C109 D110 N132 W193 K194C109-S130 WeakPolarHBondContact CA-O 3.34Å; D110-S130 PolarHBondContact N-O 3.26Å; S130-N132 PolarHBondContact O-N 3.5Å; S130-W193 WeakPolarHBondContact OG-CB 3.46Å; S130-K194 CarbonylContact C-O 3.45Å; S130-K194 VanDerWaalsContact CA-O 3.23Å; S130-K194 WeakPolarHBondContact CA-O 3.35Å; S130-K194 PolarHBondContact OG-N 2.75Å
131D98.2Very high96.2Very high7 Ų742.1 Ų42.14%0.03724%0.242CC..  trans-60.2128.3175.3-75.2-27.9000111.2A96 S100 L133 L174 K194 A195 L196A96-D131 HydrophobicContact CB-CB 4.36Å; S100-D131 VanDerWaalsContact CB-OD1 3.25Å; S100-D131 WeakPolarHBondContact CB-OD1 3.11Å; S100-D131 PolarHBondContact OG-OD1 2.9Å; D131-L133 PolarHBondContact O-N 3.23Å; D131-L174 HydrophobicContact CB-CD1 4.46Å; D131-K194 PolarHBondContact N-O 3.16Å; D131-A195 WeakPolarHBondContact OD2-CA 3.44Å; D131-L196 HydrophobicContact CB-CD1 4.45Å; D131-L196 HydrophobicContact CB-CG 4.28Å; D131-L196 WeakPolarHBondContact OD2-CB 3.33Å; D131-L196 WeakPolarHBondContact OD2-CG 3.5Å; D131-L196 PolarHBondContact OD2-N 2.97Å
132N97.7Very high96.4Very high22 Ų2240.5 Ų40.512%0.11823%0.233CC..  trans-82.868.1-175.9-162.1-19.5000112.8C99 T108 D110 S130 P134 Y135 A136C99-N132 HydrophobicContact CB-CB 3.93Å; T108-N132 WeakPolarHBondContact O-CB 3.39Å; T108-N132 PolarHBondContact O-ND2 3.09Å; D110-N132 HydrophobicContact CB-CB 4.47Å; S130-N132 PolarHBondContact O-N 3.5Å; N132-P134 VanDerWaalsContact C-CD 3.47Å; N132-P134 WeakPolarHBondContact OD1-CD 3.3Å; N132-Y135 PolarHBondContact O-N 2.91Å; N132-Y135 VanDerWaalsContact OD1-CB 3.28Å; N132-Y135 WeakPolarHBondContact OD1-CB 3.22Å; N132-Y135 PolarHBondContact OD1-N 2.98Å; N132-A136 PolarHBondContact O-N 2.83Å; N132-A136 VanDerWaalsContact O-N 3.11Å
133L97.4Very high96.6Very high8 Ų839.4 Ų39.44%0.04222%0.221CC..Hα-helixtrans-61.1-38.5-179.6-173.265.6000114.4V92 D131 A136 I137 V170 K171 L174V92-L133 HydrophobicContact CG1-CD1 3.58Å; D131-L133 PolarHBondContact O-N 3.23Å; L133-A136 PolarHBondContact O-N 2.67Å; L133-I137 HydrophobicContact CD1-CD1 4.01Å; L133-I137 HydrophobicContact CD1-CG1 4.03Å; L133-I137 HydrophobicContact CD2-CD1 4.16Å; L133-I137 HydrophobicContact CG-CD1 3.75Å; L133-I137 HydrophobicContact CG-CG1 4.18Å; L133-I137 WeakPolarHBondContact O-CB 3.43Å; L133-I137 WeakPolarHBondContact O-CG1 3.41Å; L133-I137 PolarHBondContact O-N 3.4Å; L133-V170 HydrophobicContact CD1-CB 4.46Å; L133-V170 HydrophobicContact CD1-CG1 3.66Å; L133-K171 HydrophobicContact CD2-CB 3.85Å; L133-K171 HydrophobicContact CD2-CG 3.91Å; L133-L174 HydrophobicContact CD2-CB 4.42Å; L133-L174 HydrophobicContact CD2-CD2 4.06Å
134P97.3Very high96.5Very high46 Ų4635.8 Ų35.830%0.29921%0.206SC..Hα-helixtrans-60.3-45176.2-20.729.5000113.1N132 S138N132-P134 VanDerWaalsContact C-CD 3.47Å; N132-P134 WeakPolarHBondContact OD1-CD 3.3Å; P134-S138 VanDerWaalsContact O-CB 3.31Å; P134-S138 WeakPolarHBondContact O-CB 3.39Å; P134-S138 PolarHBondContact O-N 3.34Å
135Y97.1Very high96.4Very high50 Ų5035.4 Ų35.420%0.19621%0.205CC..Hα-helixtrans-59-51.4175.6177.3-84.9000109.9I95 C107 N132 I137 S138 F139I95-Y135 HydrophobicContact CG2-CD1 3.85Å; I95-Y135 HydrophobicContact CG2-CE1 3.83Å; C107-Y135 HydrophobicContact CB-CD1 4.09Å; C107-Y135 HydrophobicContact CB-CD2 4.42Å; C107-Y135 HydrophobicContact CB-CE1 3.85Å; C107-Y135 HydrophobicContact CB-CE2 4.17Å; C107-Y135 HydrophobicContact CB-CG 4.37Å; C107-Y135 WeakPolarHBondContact SG-CD1 3.4Å; N132-Y135 PolarHBondContact O-N 2.91Å; N132-Y135 VanDerWaalsContact OD1-CB 3.28Å; N132-Y135 WeakPolarHBondContact OD1-CB 3.22Å; N132-Y135 PolarHBondContact OD1-N 2.98Å; Y135-I137 PolarHBondContact O-N 3.01Å; Y135-S138 WeakPolarHBondContact O-CB 3.26Å; Y135-S138 PolarHBondContact O-N 2.75Å; Y135-S138 VanDerWaalsContact O-N 3.1Å; Y135-F139 HydrophobicContact CE1-CB 4.38Å; Y135-F139 HydrophobicContact CE1-CD2 4.46Å; Y135-F139 PolarHBondContact O-N 3.48Å
136A97.8Very high96.2Very high0 Ų033.2 Ų33.20%019%0.19CC..Hα-helixtrans-60.2-43.2-178.300000113.3V92 I95 A96 N132 L133 S140V92-A136 HydrophobicContact CG1-CB 4.02Å; V92-A136 VanDerWaalsContact O-CB 3.3Å; V92-A136 WeakPolarHBondContact O-CB 3.21Å; I95-A136 HydrophobicContact CB-CB 3.89Å; I95-A136 HydrophobicContact CG2-CB 3.76Å; A96-A136 HydrophobicContact CB-CB 3.72Å; N132-A136 PolarHBondContact O-N 2.83Å; N132-A136 VanDerWaalsContact O-N 3.11Å; L133-A136 PolarHBondContact O-N 2.67Å; A136-S140 WeakPolarHBondContact O-CB 2.86Å; A136-S140 PolarHBondContact O-N 3.24Å
137I97.9Very high95.8Very high34 Ų3439.8 Ų39.817%0.17422%0.215CC..Hα-helixtrans-63.3-42.4175.2-74.1176.1000110.8V92 L133 Y135 R141 K171V92-I137 HydrophobicContact CG1-CG1 3.77Å; L133-I137 HydrophobicContact CD1-CD1 4.01Å; L133-I137 HydrophobicContact CD1-CG1 4.03Å; L133-I137 HydrophobicContact CD2-CD1 4.16Å; L133-I137 HydrophobicContact CG-CD1 3.75Å; L133-I137 HydrophobicContact CG-CG1 4.18Å; L133-I137 WeakPolarHBondContact O-CB 3.43Å; L133-I137 WeakPolarHBondContact O-CG1 3.41Å; L133-I137 PolarHBondContact O-N 3.4Å; Y135-I137 PolarHBondContact O-N 3.01Å; I137-R141 WeakPolarHBondContact O-CB 3.38Å; I137-R141 VanDerWaalsContact O-CG 3.23Å; I137-R141 WeakPolarHBondContact O-CG 3.46Å; I137-R141 PolarHBondContact O-N 3.33Å; I137-K171 HydrophobicContact CD1-CB 4.36Å
138S97.2Very high95.5Very high55 Ų5539.6 Ų39.639%0.38521%0.207SC..Hα-helixtrans-64.3-48.3179.3-1750000111.5P134 Y135 R141 K142P134-S138 VanDerWaalsContact O-CB 3.31Å; P134-S138 WeakPolarHBondContact O-CB 3.39Å; P134-S138 PolarHBondContact O-N 3.34Å; Y135-S138 WeakPolarHBondContact O-CB 3.26Å; Y135-S138 PolarHBondContact O-N 2.75Å; Y135-S138 VanDerWaalsContact O-N 3.1Å; S138-R141 PolarHBondContact O-N 3.14Å; S138-K142 WeakPolarHBondContact O-CG 3.19Å; S138-K142 PolarHBondContact O-N 2.67Å; S138-K142 VanDerWaalsContact O-N 3.11Å
139F96.8Very high95.3Very high11 Ų1141.4 Ų41.45%0.04819%0.193CC..Hα-helixtrans-62.1-51.1178.2-166.9-76.7000111.1H31 V34 I38 I95 Y135 R141 K142 F143H31-F139 HydrophobicContact CB-CE2 3.92Å; H31-F139 HydrophobicContact CB-CZ 4.39Å; H31-F139 AromaticContact CD2-CE2 3.75Å; V34-F139 HydrophobicContact CB-CE1 4.41Å; V34-F139 HydrophobicContact CB-CE2 4.13Å; V34-F139 HydrophobicContact CB-CZ 3.93Å; V34-F139 HydrophobicContact CG1-CD1 3.87Å; V34-F139 HydrophobicContact CG1-CD2 4.2Å; V34-F139 HydrophobicContact CG1-CE1 3.57Å; V34-F139 HydrophobicContact CG1-CE2 3.88Å; V34-F139 HydrophobicContact CG1-CG 4.19Å; V34-F139 HydrophobicContact CG1-CZ 3.56Å; V34-F139 HydrophobicContact CG2-CD2 4.5Å; V34-F139 HydrophobicContact CG2-CE2 4.04Å; V34-F139 HydrophobicContact CG2-CZ 4.36Å; I38-F139 HydrophobicContact CD1-CD1 4.45Å; I38-F139 HydrophobicContact CD1-CE1 3.67Å; I38-F139 HydrophobicContact CD1-CZ 4.48Å; I95-F139 HydrophobicContact CD1-CB 4.4Å; I95-F139 HydrophobicContact CD1-CD1 3.77Å; I95-F139 HydrophobicContact CD1-CE1 4.5Å; I95-F139 HydrophobicContact CD1-CG 4.32Å; Y135-F139 HydrophobicContact CE1-CB 4.38Å; Y135-F139 HydrophobicContact CE1-CD2 4.46Å; Y135-F139 PolarHBondContact O-N 3.48Å; F139-R141 VanDerWaalsContact C-N 3.27Å; F139-R141 PolarHBondContact O-N 3.17Å; F139-K142 PolarHBondContact O-N 2.81Å; F139-F143 HydrophobicContact CD1-CB 4.06Å; F139-F143 HydrophobicContact CE1-CB 3.81Å; F139-F143 HydrophobicContact CE1-CD2 4.05Å; F139-F143 HydrophobicContact CE1-CG 4.02Å; F139-F143 HydrophobicContact CZ-CD2 4.48Å; F139-F143 WeakPolarHBondContact O-CB 3.15Å; F139-F143 PolarHBondContact O-N 2.8Å
140S96.2Very high94.8Very high0 Ų050.1 Ų50.10%022%0.221CC..Hα-helixtrans-54.4-42.8176.7168.90000112T88 V92 A136 K142 F143 V144T88-S140 WeakPolarHBondContact CG2-OG 3.18Å; V92-S140 VanDerWaalsContact CG2-CB 3.44Å; V92-S140 WeakPolarHBondContact CG2-OG 3.2Å; A136-S140 WeakPolarHBondContact O-CB 2.86Å; A136-S140 PolarHBondContact O-N 3.24Å; S140-K142 VanDerWaalsContact C-N 3.34Å; S140-K142 PolarHBondContact O-N 3.18Å; S140-F143 PolarHBondContact O-N 3.06Å; S140-V144 VanDerWaalsContact O-CB 3.29Å; S140-V144 WeakPolarHBondContact O-CB 3.45Å; S140-V144 PolarHBondContact O-N 3.48Å
141R96.9Very high94.1Very high130 Ų13051.8 Ų51.849%0.49123%0.232SC..Hα-helixtrans-63-35.6175.3-80.9178.973.8-175.60.7113.4I137 S138 F139 D145 R149I137-R141 WeakPolarHBondContact O-CB 3.38Å; I137-R141 VanDerWaalsContact O-CG 3.23Å; I137-R141 WeakPolarHBondContact O-CG 3.46Å; I137-R141 PolarHBondContact O-N 3.33Å; S138-R141 PolarHBondContact O-N 3.14Å; F139-R141 VanDerWaalsContact C-N 3.27Å; F139-R141 PolarHBondContact O-N 3.17Å; R141-D145 VanDerWaalsContact O-CB 3.29Å; R141-D145 WeakPolarHBondContact O-CB 3.33Å; R141-R149 VanDerWaalsContact O-CZ 3.28Å; R141-R149 PolarHBondContact O-NH2 2.97Å
142K96Very high93.2Very high105 Ų10561.1 Ų61.146%0.45727%0.267SS..Hα-helixtrans-76.4-35.4178.3-68.7173.8-173.1176.50111.4L27 S138 F139 S140 A146L27-K142 HydrophobicContact CD1-CB 3.92Å; S138-K142 WeakPolarHBondContact O-CG 3.19Å; S138-K142 PolarHBondContact O-N 2.67Å; S138-K142 VanDerWaalsContact O-N 3.11Å; F139-K142 PolarHBondContact O-N 2.81Å; S140-K142 VanDerWaalsContact C-N 3.34Å; S140-K142 PolarHBondContact O-N 3.18Å; K142-A146 WeakPolarHBondContact O-CB 3.48Å
143F94.7Very high92.5Very high2 Ų263 Ų631%0.00928%0.277CS..Hα-helixtrans-91.3-55.5-171.5-171.3-87.3000113.5L20 Q24 L27 M35 I38 F68 F139 S140 A146L20-F143 HydrophobicContact CD2-CE1 4.43Å; L20-F143 HydrophobicContact CD2-CE2 4.41Å; L20-F143 HydrophobicContact CD2-CZ 3.66Å; Q24-F143 HydrophobicContact CB-CD2 4.24Å; Q24-F143 HydrophobicContact CB-CE2 3.81Å; Q24-F143 HydrophobicContact CB-CZ 4.14Å; Q24-F143 HydrophobicContact CG-CD2 4.46Å; Q24-F143 HydrophobicContact CG-CE2 4.38Å; Q24-F143 WeakPolarHBondContact CG-O 3.46Å; Q24-F143 PolarHBondContact NE2-O 2.89Å; L27-F143 HydrophobicContact CB-CD2 4.04Å; L27-F143 HydrophobicContact CD1-CB 4.16Å; L27-F143 HydrophobicContact CD1-CD2 4.14Å; M35-F143 HydrophobicContact CE-CE2 4.29Å; M35-F143 HydrophobicContact CE-CZ 3.81Å; M35-F143 HydrophobicContact SD-CE2 3.74Å; M35-F143 HydrophobicContact SD-CZ 3.85Å; I38-F143 HydrophobicContact CD1-CD1 4Å; I38-F143 HydrophobicContact CD1-CD2 4.36Å; I38-F143 HydrophobicContact CD1-CE1 3.97Å; I38-F143 HydrophobicContact CD1-CE2 4.32Å; I38-F143 HydrophobicContact CD1-CG 4.2Å; I38-F143 HydrophobicContact CD1-CZ 4.13Å; I38-F143 HydrophobicContact CG2-CE1 4.45Å; F68-F143 AromaticContact CD1-CE1 3.89Å; F68-F143 HydrophobicContact CD1-CE1 3.89Å; F68-F143 HydrophobicContact CD1-CZ 4.43Å; F68-F143 AromaticContact CE1-CE1 3.49Å; F68-F143 HydrophobicContact CE1-CE1 3.49Å; F68-F143 VanDerWaalsContact CE1-CE1 3.49Å; F68-F143 HydrophobicContact CE1-CZ 4.11Å; F68-F143 HydrophobicContact CZ-CE1 4.07Å; F68-F143 HydrophobicContact CZ-CZ 4.33Å; F139-F143 HydrophobicContact CD1-CB 4.06Å; F139-F143 HydrophobicContact CE1-CB 3.81Å; F139-F143 HydrophobicContact CE1-CD2 4.05Å; F139-F143 HydrophobicContact CE1-CG 4.02Å; F139-F143 HydrophobicContact CZ-CD2 4.48Å; F139-F143 WeakPolarHBondContact O-CB 3.15Å; F139-F143 PolarHBondContact O-N 2.8Å; S140-F143 PolarHBondContact O-N 3.06Å; F143-A146 VanDerWaalsContact O-CB 3.27Å; F143-A146 WeakPolarHBondContact O-CB 2.98Å; F143-A146 PolarHBondContact O-N 3.46Å
144V93.9Very high91.7Very high35 Ų3562.9 Ų62.921%0.21228%0.278CS..G310 helixtrans-68.9-43.9-176.2-178.10000110.7V91 S140 A146V91-V144 HydrophobicContact CG1-CG2 4.35Å; S140-V144 VanDerWaalsContact O-CB 3.29Å; S140-V144 WeakPolarHBondContact O-CB 3.45Å; S140-V144 PolarHBondContact O-N 3.48Å; V144-A146 PolarHBondContact O-N 3.26Å
145D93.8Very high91.1Very high4 Ų462.7 Ų62.72%0.02127%0.271CS..G310 helixtrans-77.5-1.6-178.7-53.1-14.2000113.3R141 R147 D148 R149 L160 N163 R167R141-D145 VanDerWaalsContact O-CB 3.29Å; R141-D145 WeakPolarHBondContact O-CB 3.33Å; D145-R147 VanDerWaalsContact C-N 3.28Å; D145-R147 PolarHBondContact O-N 3.5Å; D145-D148 PolarHBondContact O-N 2.76Å; D145-R149 HydrophobicContact CB-CG 4.08Å; D145-R149 WeakPolarHBondContact O-CB 3.17Å; D145-R149 VanDerWaalsContact O-CG 3.3Å; D145-R149 WeakPolarHBondContact O-CG 3.3Å; D145-R149 PolarHBondContact O-N 3.17Å; D145-R149 IonicContact OD2-CZ 2.76Å; D145-R149 IonicContact OD2-NE 3.81Å; D145-R149 IonicContact OD2-NH2 2.95Å; D145-R149 PolarHBondContact OD2-NH2 3.27Å; D145-L160 HydrophobicContact CB-CD2 3.51Å; D145-N163 PolarHBondContact OD1-ND2 2.82Å; D145-R167 IonicContact OD1-CZ 3.63Å; D145-R167 IonicContact OD1-NH1 3.74Å; D145-R167 PolarHBondContact OD1-NH1 3.03Å; D145-R167 IonicContact OD1-NH2 3.56Å; D145-R167 PolarHBondContact OD1-NH2 3.3Å; D145-R167 IonicContact OD2-CZ 2.93Å; D145-R167 IonicContact OD2-NH1 3.47Å; D145-R167 IonicContact OD2-NH2 3.45Å; D145-R167 PolarHBondContact OD2-NH2 2.89Å; D145-R167 VanDerWaalsContact OD2-NH2 3.15Å
146A92.8Very high90.6Very high7 Ų760.4 Ų60.46%0.05826%0.262CS..G310 helixtrans-58.5-37.4-165.900000113.9R23 Q24 K142 F143 V144R23-A146 HydrophobicContact CB-CB 4.4Å; Q24-A146 HydrophobicContact CG-CB 3.54Å; K142-A146 WeakPolarHBondContact O-CB 3.48Å; F143-A146 VanDerWaalsContact O-CB 3.27Å; F143-A146 WeakPolarHBondContact O-CB 2.98Å; F143-A146 PolarHBondContact O-N 3.46Å; V144-A146 PolarHBondContact O-N 3.26Å
147R88.2Confident90.1Very high180 Ų18062.1 Ų62.168%0.67927%0.271SS*.THydrogen-bonded Turntrans-78.4-52.2-180-174.7178.2175.1-178-2.5111.1D145 R149 R150D145-R147 VanDerWaalsContact C-N 3.28Å; D145-R147 PolarHBondContact O-N 3.5Å; R147-R149 VanDerWaalsContact C-N 3.27Å; R147-R149 PolarHBondContact O-N 2.95Å; R147-R150 PolarHBondContact O-N 2.8Å
148D89Confident89.6Confident23 Ų2360.6 Ų60.612%0.12326%0.263CS..G310 helixtrans-63.4-31.2-175.8-62-57.3000112.4D145 R150 S151 A156 N159 L160D145-D148 PolarHBondContact O-N 2.76Å; D148-R150 PolarHBondContact O-N 3.31Å; D148-S151 PolarHBondContact O-N 3.29Å; D148-S151 VanDerWaalsContact O-O 3.05Å; D148-A156 HydrophobicContact CB-CB 3.92Å; D148-N159 PolarHBondContact OD1-ND2 3.33Å; D148-L160 HydrophobicContact CB-CD1 4.25Å; D148-L160 HydrophobicContact CB-CD2 3.91Å; D148-L160 HydrophobicContact CB-CG 3.78Å
149R88.5Confident89.2Confident106 Ų10658.1 Ų58.140%0.425%0.246SC..G310 helixtrans-61.9-16.9177.3-80.1-177.7-173.4-172.79.9115.4R141 D145 R147 L160R141-R149 VanDerWaalsContact O-CZ 3.28Å; R141-R149 PolarHBondContact O-NH2 2.97Å; D145-R149 HydrophobicContact CB-CG 4.08Å; D145-R149 WeakPolarHBondContact O-CB 3.17Å; D145-R149 VanDerWaalsContact O-CG 3.3Å; D145-R149 WeakPolarHBondContact O-CG 3.3Å; D145-R149 PolarHBondContact O-N 3.17Å; D145-R149 IonicContact OD2-CZ 2.76Å; D145-R149 IonicContact OD2-NE 3.81Å; D145-R149 IonicContact OD2-NH2 2.95Å; D145-R149 PolarHBondContact OD2-NH2 3.27Å; R147-R149 VanDerWaalsContact C-N 3.27Å; R147-R149 PolarHBondContact O-N 2.95Å; R149-L160 HydrophobicContact CG-CD2 4.05Å
150R85.1Confident89Confident220 Ų22059.3 Ų59.383%0.8325%0.253SS*.G310 helixtrans-87.9-16.9178.3-57.9-174.379.4-171.74112.2R147 D148R147-R150 PolarHBondContact O-N 2.8Å; D148-R150 PolarHBondContact O-N 3.31Å
151S83.8Confident88.7Confident42 Ų4259.6 Ų59.629%0.29425%0.254SS..  trans-104.4150.1178.6-169.90000110.5D148 D153D148-S151 PolarHBondContact O-N 3.29Å; D148-S151 VanDerWaalsContact O-O 3.05Å; S151-D153 WeakPolarHBondContact OG-CB 3.48Å; S151-D153 PolarHBondContact OG-N 2.98Å; S151-D153 VanDerWaalsContact OG-N 3.11Å; S151-D153 PolarHBondContact OG-OD2 2.87Å
152R78.6Confident88.5Confident204 Ų20453.4 Ų53.477%0.7723%0.231SC*.  trans-103.17.6169.7-67.5-104.7-178.6-125.41.8111.2L157 H216R152-L157 WeakPolarHBondContact O-CD1 3.46Å; R152-H216 PolarHBondContact O-CD2 3.33Å; R152-H216 PolarHBondContact O-NE2 3.39Å
153D83.3Confident88.4Confident60 Ų6048.5 Ų48.532%0.32121%0.209SC..SBendtrans-66.6149.8-176.168.339.1000115.2S151 R155 A156 L157 H216S151-D153 WeakPolarHBondContact OG-CB 3.48Å; S151-D153 PolarHBondContact OG-N 2.98Å; S151-D153 VanDerWaalsContact OG-N 3.11Å; S151-D153 PolarHBondContact OG-OD2 2.87Å; D153-R155 PolarHBondContact O-N 3.37Å; D153-R155 VanDerWaalsContact O-N 3.1Å; D153-R155 WeakPolarHBondContact OD1-CB 3.48Å; D153-R155 PolarHBondContact OD1-N 2.91Å; D153-A156 PolarHBondContact O-N 2.81Å; D153-A156 WeakPolarHBondContact OD1-CA 3.37Å; D153-A156 WeakPolarHBondContact OD1-CB 3.44Å; D153-A156 PolarHBondContact OD1-N 3.27Å; D153-L157 WeakPolarHBondContact O-CG 3.48Å; D153-L157 PolarHBondContact O-N 3.43Å; D153-H216 WeakPolarHBondContact CA-CE1 3.27Å; D153-H216 WeakPolarHBondContact CA-NE2 3.27Å; D153-H216 PolarHBondContact N-NE2 2.99Å
154G80.4Confident88.4Confident6 Ų653.1 Ų53.16%0.06223%0.227CC..Hα-helixtrans-54.6-31.9-179.200000111.7M158G154-M158 VanDerWaalsContact O-CB 3.31Å; G154-M158 WeakPolarHBondContact O-CB 3.45Å; G154-M158 PolarHBondContact O-N 3.36Å
155R84.2Confident88.3Confident43 Ų4351.7 Ų51.716%0.16222%0.218CC..Hα-helixtrans-65.6-51.1174178.658.3172.7-168.7-6.4112.7L73 L75 D153 L157 M158 N159 F243L73-R155 PolarHBondContact O-NH2 3.49Å; L75-R155 PolarHBondContact O-NH1 3.05Å; D153-R155 PolarHBondContact O-N 3.37Å; D153-R155 VanDerWaalsContact O-N 3.1Å; D153-R155 WeakPolarHBondContact OD1-CB 3.48Å; D153-R155 PolarHBondContact OD1-N 2.91Å; R155-L157 VanDerWaalsContact C-N 3.28Å; R155-L157 PolarHBondContact O-N 3.02Å; R155-M158 WeakPolarHBondContact O-CB 3.4Å; R155-M158 PolarHBondContact O-N 3.15Å; R155-N159 PolarHBondContact NE-OD1 2.88Å; R155-N159 WeakPolarHBondContact O-CB 3.39Å; R155-N159 PolarHBondContact O-N 3.44Å; R155-N159 PolarHBondContact O-ND2 2.9Å; R155-N159 PolarHBondContact O-OD1 2.72Å; R155-F243 HydrophobicContact CB-CE1 4.22Å; R155-F243 HydrophobicContact CB-CZ 4Å
156A87.7Confident88.3Confident1 Ų151.5 Ų51.51%0.00822%0.217CC..Hα-helixtrans-61.2-40.5177.600000110.6D148 D153 N159 L160D148-A156 HydrophobicContact CB-CB 3.92Å; D153-A156 PolarHBondContact O-N 2.81Å; D153-A156 WeakPolarHBondContact OD1-CA 3.37Å; D153-A156 WeakPolarHBondContact OD1-CB 3.44Å; D153-A156 PolarHBondContact OD1-N 3.27Å; A156-N159 PolarHBondContact O-N 3.49Å; A156-L160 WeakPolarHBondContact O-CB 3.38Å; A156-L160 WeakPolarHBondContact O-CG 3.39Å; A156-L160 PolarHBondContact O-N 3.1Å
157L87.2Confident88.5Confident37 Ų3751.8 Ų51.819%0.19422%0.217CC..Hα-helixtrans-65.9-41.9177-63.8173000111.9R152 D153 R155 L160 H161 F219R152-L157 WeakPolarHBondContact O-CD1 3.46Å; D153-L157 WeakPolarHBondContact O-CG 3.48Å; D153-L157 PolarHBondContact O-N 3.43Å; R155-L157 VanDerWaalsContact C-N 3.28Å; R155-L157 PolarHBondContact O-N 3.02Å; L157-L160 PolarHBondContact O-N 3.39Å; L157-H161 WeakPolarHBondContact O-CB 3.32Å; L157-H161 PolarHBondContact O-N 3.46Å; L157-F219 HydrophobicContact CB-CB 4.34Å; L157-F219 HydrophobicContact CB-CD1 3.58Å; L157-F219 HydrophobicContact CB-CD2 3.78Å; L157-F219 HydrophobicContact CB-CE1 3.66Å; L157-F219 HydrophobicContact CB-CE2 3.86Å; L157-F219 HydrophobicContact CB-CG 3.63Å; L157-F219 HydrophobicContact CB-CZ 3.79Å; L157-F219 HydrophobicContact CD1-CB 3.38Å; L157-F219 HydrophobicContact CD1-CD1 4.26Å; L157-F219 HydrophobicContact CD1-CD2 3.77Å; L157-F219 HydrophobicContact CD1-CG 3.55Å; L157-F219 HydrophobicContact CG-CB 4.34Å; L157-F219 HydrophobicContact CG-CD1 4.42Å; L157-F219 HydrophobicContact CG-CD2 4.42Å; L157-F219 HydrophobicContact CG-CG 4.15Å
158M87Confident88.8Confident1 Ų146 Ų461%0.00520%0.197CC..Hα-helixtrans-58.4-50.5171.4-170.5-153.975.900111.2Y84 G154 R155 L160 H161 N162 F219 V241 F243Y84-M158 HydrophobicContact CD2-CE 4.48Å; G154-M158 VanDerWaalsContact O-CB 3.31Å; G154-M158 WeakPolarHBondContact O-CB 3.45Å; G154-M158 PolarHBondContact O-N 3.36Å; R155-M158 WeakPolarHBondContact O-CB 3.4Å; R155-M158 PolarHBondContact O-N 3.15Å; M158-L160 PolarHBondContact O-N 3.06Å; M158-H161 WeakPolarHBondContact O-CB 3.49Å; M158-H161 PolarHBondContact O-N 3.34Å; M158-N162 PolarHBondContact O-N 2.96Å; M158-N162 PolarHBondContact O-ND2 2.94Å; M158-N162 VanDerWaalsContact O-ND2 3.16Å; M158-F219 HydrophobicContact CB-CZ 4.4Å; M158-V241 HydrophobicContact CB-CG2 4.47Å; M158-V241 HydrophobicContact CG-CG2 3.89Å; M158-V241 WeakPolarHBondContact CG-O 3.41Å; M158-F243 HydrophobicContact CB-CD1 3.99Å; M158-F243 HydrophobicContact CB-CE1 3.96Å; M158-F243 HydrophobicContact CG-CD1 4.03Å; M158-F243 HydrophobicContact CG-CE1 4.22Å; M158-F243 HydrophobicContact SD-CD1 3.59Å; M158-F243 VanDerWaalsContact SD-CD1 3.59Å; M158-F243 HydrophobicContact SD-CE1 3.54Å; M158-F243 VanDerWaalsContact SD-CE1 3.54Å
159N90.1Very high89Confident3 Ų345.5 Ų45.52%0.01620%0.195CC..Hα-helixtrans-58.6-48.9179.3-64.8-11.5000111.4Y84 D148 R155 A156 H161 N162 N163Y84-N159 HydrophobicContact CD1-CB 3.96Å; Y84-N159 HydrophobicContact CE1-CB 3.75Å; Y84-N159 VanDerWaalsContact CE1-CG 3.47Å; Y84-N159 WeakPolarHBondContact CE2-OD1 3.06Å; Y84-N159 HydrophobicContact CG-CB 4.43Å; Y84-N159 PolarHBondContact OH-ND2 2.93Å; Y84-N159 VanDerWaalsContact OH-ND2 3.11Å; D148-N159 PolarHBondContact OD1-ND2 3.33Å; R155-N159 PolarHBondContact NE-OD1 2.88Å; R155-N159 WeakPolarHBondContact O-CB 3.39Å; R155-N159 PolarHBondContact O-N 3.44Å; R155-N159 PolarHBondContact O-ND2 2.9Å; R155-N159 PolarHBondContact O-OD1 2.72Å; A156-N159 PolarHBondContact O-N 3.49Å; N159-H161 VanDerWaalsContact C-N 3.31Å; N159-H161 PolarHBondContact O-N 3.38Å; N159-N162 PolarHBondContact O-N 3.39Å; N159-N163 WeakPolarHBondContact O-CB 3.37Å; N159-N163 PolarHBondContact O-N 3.14Å; N159-N163 PolarHBondContact O-ND2 3.49Å; N159-N163 PolarHBondContact O-OD1 3.38Å
160L91.7Very high89.4Confident37 Ų3740.4 Ų40.419%0.19418%0.176CC..Hα-helixtrans-60.8-39.7179.2-72170000112.2D145 D148 R149 A156 L157 M158 R164D145-L160 HydrophobicContact CB-CD2 3.51Å; D148-L160 HydrophobicContact CB-CD1 4.25Å; D148-L160 HydrophobicContact CB-CD2 3.91Å; D148-L160 HydrophobicContact CB-CG 3.78Å; R149-L160 HydrophobicContact CG-CD2 4.05Å; A156-L160 WeakPolarHBondContact O-CB 3.38Å; A156-L160 WeakPolarHBondContact O-CG 3.39Å; A156-L160 PolarHBondContact O-N 3.1Å; L157-L160 PolarHBondContact O-N 3.39Å; M158-L160 PolarHBondContact O-N 3.06Å; L160-R164 WeakPolarHBondContact O-CB 3.1Å; L160-R164 PolarHBondContact O-N 3.31Å
161H90.9Very high89.9Confident6 Ų636.6 Ų36.63%0.02817%0.165CC..Hα-helixtrans-63.3-51.5174.8-178.9102.2000111.2L157 M158 N159 N163 R164 A165 Y223 D239 V241L157-H161 WeakPolarHBondContact O-CB 3.32Å; L157-H161 PolarHBondContact O-N 3.46Å; M158-H161 WeakPolarHBondContact O-CB 3.49Å; M158-H161 PolarHBondContact O-N 3.34Å; N159-H161 VanDerWaalsContact C-N 3.31Å; N159-H161 PolarHBondContact O-N 3.38Å; H161-N163 PolarHBondContact O-N 3.04Å; H161-R164 CarbonylContact O-C 3.51Å; H161-R164 WeakPolarHBondContact O-CA 3.38Å; H161-R164 VanDerWaalsContact O-CB 3.25Å; H161-R164 WeakPolarHBondContact O-CB 3.18Å; H161-R164 PolarHBondContact O-N 3.14Å; H161-A165 PolarHBondContact O-N 3.11Å; H161-Y223 PolarHBondContact CE1-OH 2.91Å; H161-Y223 AromaticContact ND1-CE2 3.56Å; H161-Y223 AromaticContact ND1-CZ 3.49Å; H161-Y223 PolarHBondContact ND1-OH 3.33Å; H161-D239 PolarHBondContact CD2-O 2.84Å; H161-D239 PolarHBondContact NE2-O 2.95Å; H161-V241 HydrophobicContact CB-CG2 3.8Å; H161-V241 VanDerWaalsContact CD2-CG2 3.46Å; H161-V241 WeakPolarHBondContact CD2-CG2 3.38Å; H161-V241 WeakPolarHBondContact NE2-CG1 3.42Å
162N91.8Very high90.4Very high0 Ų041.8 Ų41.80%018%0.179CC..Hα-helixtrans-66.1-37.8-178.2-67.3-32.6000112.1A81 A85 M158 N159 R164 A165 G166 L240 V241A81-N162 VanDerWaalsContact CA-ND2 3.3Å; A81-N162 WeakPolarHBondContact CA-ND2 3.36Å; A81-N162 WeakPolarHBondContact CB-ND2 3.49Å; A85-N162 WeakPolarHBondContact CA-O 2.9Å; A85-N162 HydrophobicContact CB-CB 4.49Å; A85-N162 WeakPolarHBondContact CB-O 3.45Å; M158-N162 PolarHBondContact O-N 2.96Å; M158-N162 PolarHBondContact O-ND2 2.94Å; M158-N162 VanDerWaalsContact O-ND2 3.16Å; N159-N162 PolarHBondContact O-N 3.39Å; N162-R164 VanDerWaalsContact C-N 3.26Å; N162-R164 PolarHBondContact O-N 2.96Å; N162-A165 WeakPolarHBondContact O-CB 3.44Å; N162-A165 PolarHBondContact O-N 3.43Å; N162-A165 VanDerWaalsContact O-N 3.15Å; N162-G166 PolarHBondContact O-N 3.26Å; N162-L240 HydrophobicContact CB-CD2 4.47Å; N162-L240 WeakPolarHBondContact OD1-CA 3.33Å; N162-V241 PolarHBondContact ND2-O 3.3Å; N162-V241 PolarHBondContact OD1-N 2.92Å; N162-V241 PolarHBondContact OD1-O 3.29Å
163N93.9Very high91.1Very high1 Ų133 Ų331%0.00515%0.147CC..Hα-helixtrans-59.5-39170.8-67-13.9000111.2Y84 T88 D145 N159 H161 G166 R167Y84-N163 WeakPolarHBondContact CB-OD1 3.47Å; Y84-N163 WeakPolarHBondContact CD1-OD1 3.41Å; Y84-N163 PolarHBondContact O-OD1 3.27Å; T88-N163 HydrophobicContact CG2-CB 4.14Å; T88-N163 WeakPolarHBondContact CG2-O 3.41Å; T88-N163 WeakPolarHBondContact OG1-CA 3.45Å; T88-N163 WeakPolarHBondContact OG1-CB 3.27Å; T88-N163 VanDerWaalsContact OG1-CG 3.24Å; T88-N163 PolarHBondContact OG1-OD1 3.42Å; D145-N163 PolarHBondContact OD1-ND2 2.82Å; N159-N163 WeakPolarHBondContact O-CB 3.37Å; N159-N163 PolarHBondContact O-N 3.14Å; N159-N163 PolarHBondContact O-ND2 3.49Å; N159-N163 PolarHBondContact O-OD1 3.38Å; H161-N163 PolarHBondContact O-N 3.04Å; N163-G166 PolarHBondContact O-N 3.34Å; N163-R167 PolarHBondContact O-N 2.97Å; N163-R167 PolarHBondContact O-NE 2.87Å
164R93.9Very high91.7Very high100 Ų10032.1 Ų32.138%0.37714%0.142SC..Hα-helixtrans-66.1-42.2174.6-176.5-176.2-169.91636.8111.9L160 H161 N162 G166 R167 K168L160-R164 WeakPolarHBondContact O-CB 3.1Å; L160-R164 PolarHBondContact O-N 3.31Å; H161-R164 CarbonylContact O-C 3.51Å; H161-R164 WeakPolarHBondContact O-CA 3.38Å; H161-R164 VanDerWaalsContact O-CB 3.25Å; H161-R164 WeakPolarHBondContact O-CB 3.18Å; H161-R164 PolarHBondContact O-N 3.14Å; N162-R164 VanDerWaalsContact C-N 3.26Å; N162-R164 PolarHBondContact O-N 2.96Å; R164-G166 VanDerWaalsContact C-N 3.33Å; R164-R167 PolarHBondContact O-N 2.92Å; R164-K168 WeakPolarHBondContact O-CB 3.49Å; R164-K168 PolarHBondContact O-N 3.37Å
165A92.5Very high92.4Very high4 Ų438.2 Ų38.23%0.03316%0.163CC..Hα-helixtrans-58.8-46.1175.100000110.8H161 N162 R167 K168 A169 L240H161-A165 PolarHBondContact O-N 3.11Å; N162-A165 WeakPolarHBondContact O-CB 3.44Å; N162-A165 PolarHBondContact O-N 3.43Å; N162-A165 VanDerWaalsContact O-N 3.15Å; A165-R167 PolarHBondContact O-N 2.82Å; A165-K168 CarbonylContact O-C 3.47Å; A165-K168 WeakPolarHBondContact O-CA 3.37Å; A165-K168 WeakPolarHBondContact O-CB 3.45Å; A165-K168 PolarHBondContact O-N 2.85Å; A165-A169 PolarHBondContact O-N 2.62Å; A165-L240 HydrophobicContact CB-CD2 3.91Å
166G94.7Very high92.9Very high0 Ų038.7 Ų38.70%017%0.171CC..Hα-helixtrans-56.9-48174.300000113.7A85 N162 N163 R164 K168 A169 V170A85-G166 VanDerWaalsContact O-CA 3.31Å; A85-G166 WeakPolarHBondContact O-CA 3.38Å; N162-G166 PolarHBondContact O-N 3.26Å; N163-G166 PolarHBondContact O-N 3.34Å; R164-G166 VanDerWaalsContact C-N 3.33Å; G166-K168 VanDerWaalsContact C-N 3.26Å; G166-K168 PolarHBondContact O-N 3.12Å; G166-A169 WeakPolarHBondContact O-CB 3.35Å; G166-A169 PolarHBondContact O-N 3.28Å; G166-V170 PolarHBondContact O-N 3Å
167R96.2Very high93.3Very high13 Ų1342.6 Ų42.65%0.04919%0.189CC..Hα-helixtrans-57.6-39.3173.4-78.8174.6-71.7-112.48.2112.5T88 V92 D145 N163 R164 A165 K171T88-R167 HydrophobicContact CG2-CG 3.76Å; V92-R167 HydrophobicContact CG2-CG 3.65Å; D145-R167 IonicContact OD1-CZ 3.63Å; D145-R167 IonicContact OD1-NH1 3.74Å; D145-R167 PolarHBondContact OD1-NH1 3.03Å; D145-R167 IonicContact OD1-NH2 3.56Å; D145-R167 PolarHBondContact OD1-NH2 3.3Å; D145-R167 IonicContact OD2-CZ 2.93Å; D145-R167 IonicContact OD2-NH1 3.47Å; D145-R167 IonicContact OD2-NH2 3.45Å; D145-R167 PolarHBondContact OD2-NH2 2.89Å; D145-R167 VanDerWaalsContact OD2-NH2 3.15Å; N163-R167 PolarHBondContact O-N 2.97Å; N163-R167 PolarHBondContact O-NE 2.87Å; R164-R167 PolarHBondContact O-N 2.92Å; A165-R167 PolarHBondContact O-N 2.82Å; R167-K171 PolarHBondContact O-N 2.87Å; R167-K171 VanDerWaalsContact O-N 3.17Å
168K93.8Very high93.7Very high60 Ų6043 Ų4326%0.26120%0.195SC..Hα-helixtrans-71.2-36179.9-167.5175.4177.5-168.70111.6R164 A165 G166 K171 R172 N236 R237 A238R164-K168 WeakPolarHBondContact O-CB 3.49Å; R164-K168 PolarHBondContact O-N 3.37Å; A165-K168 CarbonylContact O-C 3.47Å; A165-K168 WeakPolarHBondContact O-CA 3.37Å; A165-K168 WeakPolarHBondContact O-CB 3.45Å; A165-K168 PolarHBondContact O-N 2.85Å; G166-K168 VanDerWaalsContact C-N 3.26Å; G166-K168 PolarHBondContact O-N 3.12Å; K168-K171 PolarHBondContact O-N 3.48Å; K168-R172 WeakPolarHBondContact O-CG 3.41Å; K168-R172 PolarHBondContact O-N 3.15Å; K168-N236 PolarHBondContact NZ-OD1 3.22Å; K168-R237 HydrophobicContact CD-CB 4.44Å; K168-A238 HydrophobicContact CD-CB 4.01Å
169A94.3Very high94.1Very high11 Ų1149.6 Ų49.69%0.09122%0.223CC..Hα-helixtrans-59.7-46174.900000111.7A165 G166 K171 R172 N173 V202 T203 V204A165-A169 PolarHBondContact O-N 2.62Å; G166-A169 WeakPolarHBondContact O-CB 3.35Å; G166-A169 PolarHBondContact O-N 3.28Å; A169-K171 PolarHBondContact O-N 2.92Å; A169-R172 PolarHBondContact O-N 2.9Å; A169-N173 PolarHBondContact O-N 3.18Å; A169-N173 PolarHBondContact O-ND2 3.06Å; A169-V202 HydrophobicContact CB-CG1 4.12Å; A169-T203 WeakPolarHBondContact CB-O 3.39Å; A169-V204 HydrophobicContact CB-CG2 4.07Å
170V96.5Very high94.4Very high0 Ų051.2 Ų51.20%024%0.235CC..Hα-helixtrans-61.8-45174.8-176.40000110.8A89 V92 H93 L133 G166 R172 N173 L174 L196 V202A89-V170 HydrophobicContact CB-CG2 3.69Å; A89-V170 VanDerWaalsContact O-CG2 3.27Å; A89-V170 WeakPolarHBondContact O-CG2 3.37Å; V92-V170 HydrophobicContact CB-CG2 4.28Å; V92-V170 HydrophobicContact CG1-CB 4.21Å; V92-V170 HydrophobicContact CG1-CG1 4Å; V92-V170 HydrophobicContact CG1-CG2 4.36Å; H93-V170 HydrophobicContact CB-CG1 4.41Å; H93-V170 HydrophobicContact CB-CG2 4.49Å; L133-V170 HydrophobicContact CD1-CB 4.46Å; L133-V170 HydrophobicContact CD1-CG1 3.66Å; G166-V170 PolarHBondContact O-N 3Å; V170-R172 VanDerWaalsContact C-N 3.34Å; V170-R172 PolarHBondContact O-N 2.82Å; V170-N173 PolarHBondContact O-N 2.93Å; V170-N173 VanDerWaalsContact O-N 3.17Å; V170-L174 PolarHBondContact O-N 3.28Å; V170-L196 HydrophobicContact CG1-CD1 3.88Å; V170-L196 HydrophobicContact CG1-CD2 3.56Å; V170-L196 HydrophobicContact CG1-CG 4.4Å; V170-V202 HydrophobicContact CG2-CG1 4Å
171K95.2Very high94.5Very high139 Ų13954 Ų5460%0.60425%0.246SC*.Hα-helixtrans-61-39.8179.5-174.4176.9178.9-178.50113.6L133 I137 R167 K168 A169 N173 L174L133-K171 HydrophobicContact CD2-CB 3.85Å; L133-K171 HydrophobicContact CD2-CG 3.91Å; I137-K171 HydrophobicContact CD1-CB 4.36Å; R167-K171 PolarHBondContact O-N 2.87Å; R167-K171 VanDerWaalsContact O-N 3.17Å; K168-K171 PolarHBondContact O-N 3.48Å; A169-K171 PolarHBondContact O-N 2.92Å; K171-N173 VanDerWaalsContact C-N 3.25Å; K171-N173 PolarHBondContact O-N 3.34Å; K171-L174 PolarHBondContact O-N 3.44Å
172R93.5Very high94.5Very high151 Ų15154.4 Ų54.457%0.5725%0.252SS*.Hα-helixtrans-67.2-27.9178.2-76.7174.1169.2179.1-4112.8K168 A169 V170 A238K168-R172 WeakPolarHBondContact O-CG 3.41Å; K168-R172 PolarHBondContact O-N 3.15Å; A169-R172 PolarHBondContact O-N 2.9Å; V170-R172 VanDerWaalsContact C-N 3.34Å; V170-R172 PolarHBondContact O-N 2.82Å; R172-A238 VanDerWaalsContact CZ-CB 3.46Å
173N94.4Very high94.7Very high21 Ų2160.3 Ų60.311%0.11229%0.288CS..THydrogen-bonded Turntrans-89.82.1-179-79.1-72.7000113.7A169 V170 K171 R175 P197 V202A169-N173 PolarHBondContact O-N 3.18Å; A169-N173 PolarHBondContact O-ND2 3.06Å; V170-N173 PolarHBondContact O-N 2.93Å; V170-N173 VanDerWaalsContact O-N 3.17Å; K171-N173 VanDerWaalsContact C-N 3.25Å; K171-N173 PolarHBondContact O-N 3.34Å; N173-R175 PolarHBondContact O-N 3.02Å; N173-P197 HydrophobicContact CB-CG 4.01Å; N173-P197 WeakPolarHBondContact O-CD 3.47Å; N173-V202 HydrophobicContact CB-CG2 4.4Å
174L95.2Very high94.6Very high40 Ų4066.5 Ų66.521%0.20933%0.331CS..  trans-70.8112175.6-172.672.1000110.7D131 L133 V170 K171 K194 L196D131-L174 HydrophobicContact CB-CD1 4.46Å; L133-L174 HydrophobicContact CD2-CB 4.42Å; L133-L174 HydrophobicContact CD2-CD2 4.06Å; V170-L174 PolarHBondContact O-N 3.28Å; K171-L174 PolarHBondContact O-N 3.44Å; L174-K194 HydrophobicContact CD1-CB 4.08Å; L174-K194 HydrophobicContact CD2-CB 3.99Å; L174-K194 HydrophobicContact CD2-CD 4.42Å; L174-K194 HydrophobicContact CD2-CG 4.27Å; L174-K194 HydrophobicContact CG-CB 4Å; L174-K194 HydrophobicContact CG-CD 4.32Å; L174-K194 HydrophobicContact CG-CG 4.5Å; L174-L196 HydrophobicContact CB-CD2 4.2Å; L174-L196 HydrophobicContact CD1-CD2 3.74Å; L174-L196 HydrophobicContact CD1-CG 3.93Å
175R95Very high94.4Very high134 Ų13464.2 Ų64.251%0.50634%0.338SS..EExtended strand (participates in β ladder)trans-105154.9-175.3-64.3-179.2-173.8-169.30.2111.4N173 K194 A195N173-R175 PolarHBondContact O-N 3.02Å; R175-K194 CarbonylContact O-C 3.55Å; R175-K194 WeakPolarHBondContact O-CA 3.2Å; R175-A195 PolarHBondContact N-O 3.1Å; R175-A195 PolarHBondContact O-N 3.44Å
176T95.8Very high94.4Very high53 Ų5366.3 Ų66.333%0.32535%0.353SS..EExtended strand (participates in β ladder)trans-78.3127.2162.4-55.40000107.2F124 W126 C192 W193 K194F124-T176 HydrophobicContact CZ-CG2 4.42Å; W126-T176 HydrophobicContact CH2-CG2 4.34Å; W126-T176 HydrophobicContact CZ3-CG2 4.43Å; T176-C192 HydrophobicContact CG2-CB 3.62Å; T176-W193 CarbonylContact C-O 3.56Å; T176-W193 WeakPolarHBondContact CA-O 3.32Å; T176-K194 PolarHBondContact OG1-NZ 3.36Å
177Q95.6Very high94.4Very high84 Ų8469.5 Ų69.539%0.39337%0.374SS..EExtended strand (participates in β ladder)trans-116.9143.7169.6-71.4-175-4.100108.4C192 W193 A195Q177-C192 CarbonylContact O-C 3.56Å; Q177-C192 WeakPolarHBondContact O-CA 3.44Å; Q177-C192 WeakPolarHBondContact O-CB 3.42Å; Q177-W193 PolarHBondContact N-O 2.93Å; Q177-W193 PolarHBondContact O-N 2.58Å; Q177-A195 HydrophobicContact CB-CB 4.42Å; Q177-A195 HydrophobicContact CG-CB 4.04Å
178C96Very high94.1Very high46 Ų4673.1 Ų73.131%0.31141%0.408SS..EExtended strand (participates in β ladder)trans-127.3146-176.1-57.70000110.4T191 C192C178-T191 CarbonylContact C-O 3.48Å; C178-T191 VanDerWaalsContact CA-O 3.3Å; C178-T191 WeakPolarHBondContact CA-O 3.4Å; C178-C192 HydrophobicContact CB-CB 4.04Å; C178-C192 WeakPolarHBondContact CB-SG 2.97Å; C178-C192 WeakPolarHBondContact SG-CB 3.26Å; C178-C192 CovalentContact SG-SG 2.03Å; C178-C192 PolarHBondContact SG-SG 2.95Å
179K95.8Very high94.1Very high138 Ų13873.9 Ų73.960%0.642%0.417SS*.EExtended strand (participates in β ladder)trans-113124.3165.6-178.8176.2-177.6-1770108.8R190 T191 W193K179-R190 VanDerWaalsContact O-CA 3.26Å; K179-R190 WeakPolarHBondContact O-CA 3.32Å; K179-R190 WeakPolarHBondContact O-CB 3.31Å; K179-T191 PolarHBondContact N-O 3.4Å; K179-T191 PolarHBondContact O-N 3.24Å; K179-W193 HydrophobicContact CB-CH2 3.75Å; K179-W193 HydrophobicContact CB-CZ3 3.89Å
180C95.5Very high94.2Very high38 Ų3873.7 Ų73.726%0.25741%0.414SS..EExtended strand (participates in β ladder)trans-82.9137174.8-56.90000110C187C180-C187 HydrophobicContact CB-CB 3.86Å; C180-C187 WeakPolarHBondContact CB-SG 3.4Å; C180-C187 VanDerWaalsContact SG-CA 3.52Å; C180-C187 WeakPolarHBondContact SG-CB 3.43Å; C180-C187 CovalentContact SG-SG 2.03Å; C180-C187 PolarHBondContact SG-SG 3.43Å
181H94.8Very high94.2Very high95 Ų9575.3 Ų75.344%0.4442%0.424SS..  trans-150.423-177.553.860000112.7T189 T191H181-T189 VanDerWaalsContact CE1-CG2 3.47Å; H181-T189 WeakPolarHBondContact CE1-CG2 3.04Å; H181-T189 PolarHBondContact N-O 3.32Å; H181-T191 PolarHBondContact NE2-OG1 2.93Å
182G91.2Very high94.3Very high14 Ų1468.7 Ų68.714%0.14440%0.395CS..SBendtrans-6817716600000112.2S184 G185 S186 T189G182-S184 PolarHBondContact O-N 3.1Å; G182-G185 PolarHBondContact O-N 2.74Å; G182-S186 VanDerWaalsContact C-OG 3.27Å; G182-S186 VanDerWaalsContact CA-O 3.31Å; G182-S186 WeakPolarHBondContact CA-O 3.27Å; G182-S186 WeakPolarHBondContact CA-OG 3.07Å; G182-S186 PolarHBondContact N-O 3.02Å; G182-S186 PolarHBondContact O-N 3Å; G182-T189 PolarHBondContact N-O 2.69Å
183V94.3Very high94.5Very high125 Ų12564.4 Ų64.476%0.75838%0.379SS*.G310 helixtrans-50.1129.7179.8-176.80000110G185 S186V183-G185 PolarHBondContact O-N 2.97Å; V183-S186 PolarHBondContact N-OG 3.36Å; V183-S186 VanDerWaalsContact O-CB 3.27Å; V183-S186 WeakPolarHBondContact O-CB 3.39Å; V183-S186 PolarHBondContact O-N 3.01Å; V183-S186 VanDerWaalsContact O-N 3.09Å; V183-S186 PolarHBondContact O-OG 3.48Å
184S92.7Very high94.7Very high130 Ų13064.9 Ų64.991%0.90938%0.38SS*.G310 helixtrans56.228.3-177.4-550000115.3G182 S186G182-S184 PolarHBondContact O-N 3.1Å; S184-S186 VanDerWaalsContact C-N 3.35Å
185G90.3Very high94.8Very high52 Ų5263.3 Ų63.354%0.53637%0.373SS..G310 helixtrans81.811.2-179.100000114.2G182 V183G182-G185 PolarHBondContact O-N 2.74Å; V183-G185 PolarHBondContact O-N 2.97Å
186S92.6Very high94.9Very high49 Ų4957 Ų5734%0.34335%0.349SS..  trans-61.2151.3176.459.40000112.7G182 V183 S184 A188G182-S186 VanDerWaalsContact C-OG 3.27Å; G182-S186 VanDerWaalsContact CA-O 3.31Å; G182-S186 WeakPolarHBondContact CA-O 3.27Å; G182-S186 WeakPolarHBondContact CA-OG 3.07Å; G182-S186 PolarHBondContact N-O 3.02Å; G182-S186 PolarHBondContact O-N 3Å; V183-S186 PolarHBondContact N-OG 3.36Å; V183-S186 VanDerWaalsContact O-CB 3.27Å; V183-S186 WeakPolarHBondContact O-CB 3.39Å; V183-S186 PolarHBondContact O-N 3.01Å; V183-S186 VanDerWaalsContact O-N 3.09Å; V183-S186 PolarHBondContact O-OG 3.48Å; S184-S186 VanDerWaalsContact C-N 3.35Å; S186-A188 VanDerWaalsContact C-N 3.33Å
187C93.3Very high94.8Very high66 Ų6654.9 Ų54.945%0.44634%0.336SS..THydrogen-bonded Turntrans-89.37.7178.2-650000114.2C180 T189C180-C187 HydrophobicContact CB-CB 3.86Å; C180-C187 WeakPolarHBondContact CB-SG 3.4Å; C180-C187 VanDerWaalsContact SG-CA 3.52Å; C180-C187 WeakPolarHBondContact SG-CB 3.43Å; C180-C187 CovalentContact SG-SG 2.03Å; C180-C187 PolarHBondContact SG-SG 3.43Å; C187-T189 PolarHBondContact O-N 3.42Å
188A91.3Very high94.8Very high90 Ų9057.4 Ų57.474%0.74435%0.348SS*.THydrogen-bonded Turntrans-58.4-30173.900000112S186S186-A188 VanDerWaalsContact C-N 3.33Å
189T93.9Very high94.7Very high75 Ų7555.6 Ų55.646%0.4634%0.335SS..SBendtrans-122.8125.9165.1-47.40000108.8H181 G182 C187H181-T189 VanDerWaalsContact CE1-CG2 3.47Å; H181-T189 WeakPolarHBondContact CE1-CG2 3.04Å; H181-T189 PolarHBondContact N-O 3.32Å; G182-T189 PolarHBondContact N-O 2.69Å; C187-T189 PolarHBondContact O-N 3.42Å
190R96Very high94.5Very high7 Ų750.7 Ų50.73%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-145.4149178.264.8-172.6173133.115.5111.5D119 E121 G122 F124 S125 K179D119-R190 IonicContact OD1-CZ 2.89Å; D119-R190 IonicContact OD1-NH1 3.48Å; D119-R190 PolarHBondContact OD1-NH1 3.26Å; D119-R190 IonicContact OD1-NH2 2.82Å; D119-R190 PolarHBondContact OD1-NH2 2.74Å; D119-R190 IonicContact OD2-CZ 3.34Å; D119-R190 IonicContact OD2-NH1 2.76Å; D119-R190 PolarHBondContact OD2-NH1 2.79Å; D119-R190 VanDerWaalsContact OD2-NH1 3.16Å; D119-R190 IonicContact OD2-NH2 3.54Å; D119-R190 PolarHBondContact OD2-NH2 3.21Å; D119-R190 VanDerWaalsContact OD2-NH2 3.13Å; E121-R190 IonicContact OE2-CZ 2.98Å; E121-R190 IonicContact OE2-NH1 3.33Å; E121-R190 PolarHBondContact OE2-NH1 2.91Å; G122-R190 PolarHBondContact O-NH2 3.06Å; F124-R190 HydrophobicContact CB-CG 3.75Å; S125-R190 PolarHBondContact N-O 3.09Å; S125-R190 VanDerWaalsContact N-O 3.13Å; K179-R190 VanDerWaalsContact O-CA 3.26Å; K179-R190 WeakPolarHBondContact O-CA 3.32Å; K179-R190 WeakPolarHBondContact O-CB 3.31Å
191T96.5Very high94.2Very high34 Ų3452.3 Ų52.321%0.20933%0.325CS..EExtended strand (participates in β ladder)trans-112.4132.8174.8-62.30000109.2S125 G127 C178 K179 H181 W193S125-T191 CarbonylContact O-C 3.55Å; S125-T191 VanDerWaalsContact O-CA 3.26Å; S125-T191 WeakPolarHBondContact O-CA 3.45Å; G127-T191 VanDerWaalsContact CA-CG2 3.46Å; C178-T191 CarbonylContact C-O 3.48Å; C178-T191 VanDerWaalsContact CA-O 3.3Å; C178-T191 WeakPolarHBondContact CA-O 3.4Å; K179-T191 PolarHBondContact N-O 3.4Å; K179-T191 PolarHBondContact O-N 3.24Å; H181-T191 PolarHBondContact NE2-OG1 2.93Å; T191-W193 WeakPolarHBondContact O-CZ3 3.34Å
192C97.7Very high93.6Very high0 Ų047.8 Ų47.80%030%0.304CS..EExtended strand (participates in β ladder)trans-123.3151.3-177.2-48.40000113.1F124 S125 W126 G127 T176 Q177 C178F124-C192 VanDerWaalsContact CB-SG 3.58Å; F124-C192 HydrophobicContact CD2-CB 3.51Å; F124-C192 WeakPolarHBondContact CD2-SG 3.25Å; F124-C192 HydrophobicContact CE2-CB 3.69Å; F124-C192 HydrophobicContact CG-CB 4.14Å; F124-C192 WeakPolarHBondContact CG-SG 3.26Å; F124-C192 HydrophobicContact CZ-CB 4.43Å; S125-C192 PolarHBondContact O-N 3.45Å; W126-C192 WeakPolarHBondContact CA-O 3.29Å; G127-C192 PolarHBondContact N-O 2.84Å; T176-C192 HydrophobicContact CG2-CB 3.62Å; Q177-C192 CarbonylContact O-C 3.56Å; Q177-C192 WeakPolarHBondContact O-CA 3.44Å; Q177-C192 WeakPolarHBondContact O-CB 3.42Å; C178-C192 HydrophobicContact CB-CB 4.04Å; C178-C192 WeakPolarHBondContact CB-SG 2.97Å; C178-C192 WeakPolarHBondContact SG-CB 3.26Å; C178-C192 CovalentContact SG-SG 2.03Å; C178-C192 PolarHBondContact SG-SG 2.95Å
193W97.4Very high92.8Very high61 Ų6151.6 Ų51.623%0.23133%0.325CS..EExtended strand (participates in β ladder)trans-138.7166.8175.955.199.2000111G127 S130 T176 Q177 K179 T191G127-W193 WeakPolarHBondContact O-CB 3.47Å; S130-W193 WeakPolarHBondContact OG-CB 3.46Å; T176-W193 CarbonylContact C-O 3.56Å; T176-W193 WeakPolarHBondContact CA-O 3.32Å; Q177-W193 PolarHBondContact N-O 2.93Å; Q177-W193 PolarHBondContact O-N 2.58Å; K179-W193 HydrophobicContact CB-CH2 3.75Å; K179-W193 HydrophobicContact CB-CZ3 3.89Å; T191-W193 WeakPolarHBondContact O-CZ3 3.34Å
194K97.4Very high91.9Very high32 Ų3246.2 Ų46.214%0.13929%0.292CS..EExtended strand (participates in β ladder)trans-90120.6171.8-72-59.9-167.3-178.30110.3W126 S130 D131 L174 R175 T176W126-K194 HydrophobicContact CH2-CD 4.45Å; W126-K194 HydrophobicContact CH2-CG 4.47Å; W126-K194 HydrophobicContact CZ3-CD 4.49Å; W126-K194 HydrophobicContact CZ3-CG 4.18Å; S130-K194 CarbonylContact C-O 3.45Å; S130-K194 VanDerWaalsContact CA-O 3.23Å; S130-K194 WeakPolarHBondContact CA-O 3.35Å; S130-K194 PolarHBondContact OG-N 2.75Å; D131-K194 PolarHBondContact N-O 3.16Å; L174-K194 HydrophobicContact CD1-CB 4.08Å; L174-K194 HydrophobicContact CD2-CB 3.99Å; L174-K194 HydrophobicContact CD2-CD 4.42Å; L174-K194 HydrophobicContact CD2-CG 4.27Å; L174-K194 HydrophobicContact CG-CB 4Å; L174-K194 HydrophobicContact CG-CD 4.32Å; L174-K194 HydrophobicContact CG-CG 4.5Å; R175-K194 CarbonylContact O-C 3.55Å; R175-K194 WeakPolarHBondContact O-CA 3.2Å; T176-K194 PolarHBondContact OG1-NZ 3.36Å
195A97.1Very high90.9Very high7 Ų744.8 Ų44.86%0.05827%0.274CS..EExtended strand (participates in β ladder)trans-130.9143.2-179.200000111.8D131 R175 Q177D131-A195 WeakPolarHBondContact OD2-CA 3.44Å; R175-A195 PolarHBondContact N-O 3.1Å; R175-A195 PolarHBondContact O-N 3.44Å; Q177-A195 HydrophobicContact CB-CB 4.42Å; Q177-A195 HydrophobicContact CG-CB 4.04Å
196L96.9Very high89.8Confident0 Ų043.2 Ų43.20%026%0.255CS..  trans-81.3134.1170.9-67.8173.7000109.4H93 A96 R97 D131 V170 L174H93-L196 HydrophobicContact CB-CD1 4.46Å; A96-L196 HydrophobicContact CB-CD1 3.68Å; R97-L196 PolarHBondContact NH1-O 2.69Å; D131-L196 HydrophobicContact CB-CD1 4.45Å; D131-L196 HydrophobicContact CB-CG 4.28Å; D131-L196 WeakPolarHBondContact OD2-CB 3.33Å; D131-L196 WeakPolarHBondContact OD2-CG 3.5Å; D131-L196 PolarHBondContact OD2-N 2.97Å; V170-L196 HydrophobicContact CG1-CD1 3.88Å; V170-L196 HydrophobicContact CG1-CD2 3.56Å; V170-L196 HydrophobicContact CG1-CG 4.4Å; L174-L196 HydrophobicContact CB-CD2 4.2Å; L174-L196 HydrophobicContact CD1-CD2 3.74Å; L174-L196 HydrophobicContact CD1-CG 3.93Å
197P95.2Very high88.4Confident9 Ų945 Ų456%0.05826%0.261CS..  trans-67.6177.8176.330.8-36.9000110.9H93 N173 I201H93-P197 PolarHBondContact NE2-O 3.18Å; N173-P197 HydrophobicContact CB-CG 4.01Å; N173-P197 WeakPolarHBondContact O-CD 3.47Å; P197-I201 HydrophobicContact CB-CB 4.02Å; P197-I201 HydrophobicContact CB-CD1 3.82Å; P197-I201 HydrophobicContact CB-CG1 4.5Å; P197-I201 HydrophobicContact CB-CG2 4.1Å; P197-I201 HydrophobicContact CG-CB 4.07Å; P197-I201 HydrophobicContact CG-CG2 3.96Å
198H95.1Very high86.7Confident138 Ų13842.8 Ų42.864%0.63925%0.248SC*.  trans-53.7142.4167.9-168.1-93.5000110.4A200 I201H198-A200 PolarHBondContact ND1-N 3.44Å; H198-A200 PolarHBondContact O-N 3.1Å; H198-A200 VanDerWaalsContact O-N 3.14Å; H198-I201 HydrophobicContact CB-CD1 4.42Å; H198-I201 WeakPolarHBondContact O-CB 3.17Å; H198-I201 PolarHBondContact O-N 2.98Å
199F94.7Very high84.9Confident8 Ų841.9 Ų41.94%0.03523%0.229CC..G310 helixtrans-60.1-31.3-170.8-174.1-112.1000113.1E48 I86 A89 S90 H93 I201 V202E48-F199 HydrophobicContact CB-CD1 3.92Å; E48-F199 HydrophobicContact CB-CE1 3.7Å; E48-F199 HydrophobicContact CG-CD1 4.1Å; E48-F199 HydrophobicContact CG-CE1 3.85Å; I86-F199 HydrophobicContact CD1-CE1 3.87Å; I86-F199 HydrophobicContact CD1-CZ 3.58Å; I86-F199 HydrophobicContact CG1-CE1 4.18Å; I86-F199 HydrophobicContact CG1-CZ 4.07Å; A89-F199 HydrophobicContact CB-CE2 4.14Å; A89-F199 HydrophobicContact CB-CZ 4.29Å; S90-F199 VanDerWaalsContact CA-CZ 3.44Å; H93-F199 HydrophobicContact CB-CD2 3.86Å; H93-F199 HydrophobicContact CB-CE2 4.16Å; H93-F199 AromaticContact CD2-CD2 3.98Å; H93-F199 AromaticContact CG-CD2 3.74Å; F199-I201 PolarHBondContact O-N 2.95Å; F199-I201 VanDerWaalsContact O-N 3.08Å; F199-V202 HydrophobicContact CD2-CB 4.15Å; F199-V202 HydrophobicContact CD2-CG2 4.08Å; F199-V202 HydrophobicContact CE2-CB 4.15Å; F199-V202 HydrophobicContact CE2-CG1 4.33Å; F199-V202 HydrophobicContact CE2-CG2 4.45Å; F199-V202 VanDerWaalsContact O-CB 3.31Å; F199-V202 WeakPolarHBondContact O-CB 3.41Å; F199-V202 PolarHBondContact O-N 3.03Å
200A91.1Very high83Confident35 Ų3539.9 Ų39.929%0.28922%0.224SC..G310 helixtrans-58.1-20.9174.700000114.4H198H198-A200 PolarHBondContact ND1-N 3.44Å; H198-A200 PolarHBondContact O-N 3.1Å; H198-A200 VanDerWaalsContact O-N 3.14Å
201I88.8Confident81.1Confident71 Ų7144.3 Ų44.336%0.36425%0.247SC..G310 helixtrans-83.9-18.9176-63165.4000111.1P197 H198 F199 T203P197-I201 HydrophobicContact CB-CB 4.02Å; P197-I201 HydrophobicContact CB-CD1 3.82Å; P197-I201 HydrophobicContact CB-CG1 4.5Å; P197-I201 HydrophobicContact CB-CG2 4.1Å; P197-I201 HydrophobicContact CG-CB 4.07Å; P197-I201 HydrophobicContact CG-CG2 3.96Å; H198-I201 HydrophobicContact CB-CD1 4.42Å; H198-I201 WeakPolarHBondContact O-CB 3.17Å; H198-I201 PolarHBondContact O-N 2.98Å; F199-I201 PolarHBondContact O-N 2.95Å; F199-I201 VanDerWaalsContact O-N 3.08Å; I201-T203 VanDerWaalsContact C-N 3.32Å; I201-T203 PolarHBondContact O-N 3.34Å
202V82.7Confident79.3Confident0 Ų043.6 Ų43.60%024%0.242CC..SBendtrans-71.891.1176.3-1780000108.8A89 A169 V170 N173 F199A89-V202 HydrophobicContact CB-CG1 4.27Å; A169-V202 HydrophobicContact CB-CG1 4.12Å; V170-V202 HydrophobicContact CG2-CG1 4Å; N173-V202 HydrophobicContact CB-CG2 4.4Å; F199-V202 HydrophobicContact CD2-CB 4.15Å; F199-V202 HydrophobicContact CD2-CG2 4.08Å; F199-V202 HydrophobicContact CE2-CB 4.15Å; F199-V202 HydrophobicContact CE2-CG1 4.33Å; F199-V202 HydrophobicContact CE2-CG2 4.45Å; F199-V202 VanDerWaalsContact O-CB 3.31Å; F199-V202 WeakPolarHBondContact O-CB 3.41Å; F199-V202 PolarHBondContact O-N 3.03Å
203T73.5Confident77Confident94 Ų9445.7 Ų45.758%0.57726%0.255SS*.  trans-78.3128.9-178.955.20000111.4A169 I201A169-T203 WeakPolarHBondContact CB-O 3.39Å; I201-T203 VanDerWaalsContact C-N 3.32Å; I201-T203 PolarHBondContact O-N 3.34Å
204V76.8Confident74.7Confident12 Ų1244.9 Ų44.97%0.07326%0.262CS..  trans-115.8123.6161179.40000104.8F82 A85 I86 A169 P206 L240F82-V204 HydrophobicContact CD2-CB 4.36Å; F82-V204 HydrophobicContact CD2-CG1 4.01Å; F82-V204 HydrophobicContact CE2-CB 3.96Å; F82-V204 HydrophobicContact CE2-CG1 4.13Å; F82-V204 WeakPolarHBondContact CE2-O 3.35Å; A85-V204 HydrophobicContact CB-CG1 3.73Å; A85-V204 HydrophobicContact CB-CG2 4.46Å; I86-V204 HydrophobicContact CD1-CG2 4.18Å; A169-V204 HydrophobicContact CB-CG2 4.07Å; V204-P206 VanDerWaalsContact O-CD 3.26Å; V204-P206 WeakPolarHBondContact O-CD 3.47Å; V204-L240 HydrophobicContact CG1-CD1 3.81Å; V204-L240 HydrophobicContact CG1-CD2 3.92Å; V204-L240 HydrophobicContact CG1-CG 4.13Å
205N71.8Confident72.5Confident100 Ų10047 Ų4754%0.53527%0.274SS..  trans-73.2117.9178.3-172.6-0.1000108.9D207 L240N205-D207 PolarHBondContact ND2-O 2.87Å; N205-D207 PolarHBondContact O-N 3.39Å; N205-D207 PolarHBondContact OD1-N 2.92Å; N205-L240 VanDerWaalsContact O-CD1 3.26Å; N205-L240 WeakPolarHBondContact O-CD1 3.44Å
206P67.2Low70Confident19 Ų1951.2 Ų51.212%0.12329%0.293CS..SBendtrans-67-25175.628.5-34.8000112.5F53 R78 F82 V204 G208F53-P206 HydrophobicContact CE2-CB 4.13Å; F53-P206 HydrophobicContact CZ-CB 3.71Å; R78-P206 WeakPolarHBondContact CD-O 3.1Å; R78-P206 WeakPolarHBondContact CG-O 2.98Å; F82-P206 HydrophobicContact CD2-CB 3.81Å; F82-P206 HydrophobicContact CE2-CB 4.13Å; V204-P206 VanDerWaalsContact O-CD 3.26Å; V204-P206 WeakPolarHBondContact O-CD 3.47Å; P206-G208 VanDerWaalsContact C-N 3.27Å; P206-G208 PolarHBondContact O-N 3.5Å
207D62.4Low67.7Low88 Ų8861.1 Ų61.147%0.47133%0.33SS..SBendtrans-83.875.5176.2-56.8-40.9000108.9R78 N205R78-D207 IonicContact NH1-OD1 3.61Å; R78-D207 PolarHBondContact NH1-OD1 3.35Å; N205-D207 PolarHBondContact ND2-O 2.87Å; N205-D207 PolarHBondContact O-N 3.39Å; N205-D207 PolarHBondContact OD1-N 2.92Å
208G57.6Low65.4Low18 Ų1865.3 Ų65.319%0.18635%0.345CS..  trans-64.3164.7175.500000113.2P206 G210P206-G208 VanDerWaalsContact C-N 3.27Å; P206-G208 PolarHBondContact O-N 3.5Å; G208-G210 PolarHBondContact O-N 3.47Å
209E53.8Low63.4Low71 Ų7159.4 Ų59.433%0.33232%0.317SS..SBendtrans-7888.9172.3-73.7-152.8159.100110.4K233 D239 L240E209-K233 IonicContact OE1-NZ 3.63Å; E209-K233 PolarHBondContact OE1-NZ 3.38Å; E209-K233 IonicContact OE2-NZ 3.42Å; E209-D239 HydrophobicContact CB-CB 4.29Å; E209-D239 HydrophobicContact CG-CB 4.22Å; E209-L240 PolarHBondContact N-O 2.93Å
210G54.3Low61.1Low34 Ų3465.2 Ų65.235%0.35135%0.349SS..  trans61.3169.915400000119.6G208 I212G208-G210 PolarHBondContact O-N 3.47Å; G210-I212 PolarHBondContact O-N 3.46Å
211L54.7Low59.1Low100 Ų10066.2 Ų66.252%0.52435%0.347SS..BIsolated β-bridgetrans-69.6116173.8-77.6151.8000110.5Y242L211-Y242 WeakPolarHBondContact CA-O 3.47Å; L211-Y242 HydrophobicContact CD2-CD2 3.83Å; L211-Y242 HydrophobicContact CD2-CE2 3.77Å; L211-Y242 HydrophobicContact CG-CD2 4.18Å; L211-Y242 HydrophobicContact CG-CE2 3.65Å
212I59.8Low57.4Low18 Ų1863.8 Ų63.89%0.09233%0.334CS..  trans-94.7126.7170.1-53.5-166.3000108.1G210 A214 L222 V235 V241 Y242 F243G210-I212 PolarHBondContact O-N 3.46Å; I212-A214 PolarHBondContact O-N 2.84Å; I212-L222 HydrophobicContact CD1-CD1 3.98Å; I212-L222 HydrophobicContact CD1-CD2 3.65Å; I212-L222 HydrophobicContact CD1-CG 4.27Å; I212-L222 HydrophobicContact CG2-CD1 3.64Å; I212-V235 HydrophobicContact CD1-CB 4.4Å; I212-V235 HydrophobicContact CD1-CG1 4.31Å; I212-V235 HydrophobicContact CD1-CG2 3.52Å; I212-V241 HydrophobicContact CD1-CB 3.58Å; I212-V241 HydrophobicContact CD1-CG1 3.28Å; I212-V241 HydrophobicContact CG1-CB 4.18Å; I212-V241 HydrophobicContact CG1-CG1 4.28Å; I212-Y242 PolarHBondContact N-O 2.83Å; I212-F243 WeakPolarHBondContact O-CA 3.5Å; I212-F243 WeakPolarHBondContact O-CB 3.41Å
213P48.5Very low55.7Low44 Ų4467.2 Ų67.229%0.28635%0.348SS..  trans-60133.5-179.4-8.614.8000111.3D215P213-D215 PolarHBondContact O-N 2.85Å
214A50.2Low54.4Low44 Ų4463.7 Ų63.736%0.36433%0.33SS..  trans-66.82.1-176.100000115.5I212 H216 F243I212-A214 PolarHBondContact O-N 2.84Å; A214-H216 PolarHBondContact O-N 2.92Å; A214-H216 VanDerWaalsContact O-N 3.11Å; A214-F243 HydrophobicContact CB-CB 4.1Å; A214-F243 HydrophobicContact CB-CD2 3.58Å; A214-F243 HydrophobicContact CB-CE2 4.26Å; A214-F243 HydrophobicContact CB-CG 3.96Å
215D49.7Very low52.9Low76 Ų7669.2 Ų69.241%0.40637%0.366SS..  trans-64116.1-178.2-176.10.7000110.2P213 R217 R218P213-D215 PolarHBondContact O-N 2.85Å; D215-R217 PolarHBondContact O-N 2.66Å; D215-R217 VanDerWaalsContact O-N 3.12Å; D215-R217 PolarHBondContact OD1-N 2.85Å; D215-R217 VanDerWaalsContact OD1-N 3.11Å; D215-R218 HydrophobicContact CB-CB 4.36Å; D215-R218 HydrophobicContact CB-CG 4.38Å; D215-R218 WeakPolarHBondContact O-CA 3.13Å; D215-R218 WeakPolarHBondContact O-CB 3.26Å; D215-R218 PolarHBondContact O-N 3.42Å
216H46Very low51.6Low97 Ų9771 Ų7145%0.44937%0.369SS..Hα-helixtrans-49.2-38.4178.6-88.563.1000112.4R152 D153 A214 R218R152-H216 PolarHBondContact O-CD2 3.33Å; R152-H216 PolarHBondContact O-NE2 3.39Å; D153-H216 WeakPolarHBondContact CA-CE1 3.27Å; D153-H216 WeakPolarHBondContact CA-NE2 3.27Å; D153-H216 PolarHBondContact N-NE2 2.99Å; A214-H216 PolarHBondContact O-N 2.92Å; A214-H216 VanDerWaalsContact O-N 3.11Å; H216-R218 PolarHBondContact O-N 3.42Å
217R47.5Very low50.7Low208 Ų20870.4 Ų70.479%0.78537%0.366SS*.Hα-helixtrans-69.4-18.9-178.1-62.4-171.6-173-165.43.5111.9D215 F221D215-R217 PolarHBondContact O-N 2.66Å; D215-R217 VanDerWaalsContact O-N 3.12Å; D215-R217 PolarHBondContact OD1-N 2.85Å; D215-R217 VanDerWaalsContact OD1-N 3.11Å; R217-F221 VanDerWaalsContact O-CD2 3.25Å; R217-F221 WeakPolarHBondContact O-CD2 3.33Å; R217-F221 VanDerWaalsContact O-CE2 3.25Å; R217-F221 WeakPolarHBondContact O-CE2 3.2Å
218R48.3Very low49.9Very low97 Ų9770.2 Ų70.237%0.36638%0.376SS..Hα-helixtrans-94.1-12.2-176.5-73.4-174.1175173.7-1.7115.1D215 H216 D220 F221D215-R218 HydrophobicContact CB-CB 4.36Å; D215-R218 HydrophobicContact CB-CG 4.38Å; D215-R218 WeakPolarHBondContact O-CA 3.13Å; D215-R218 WeakPolarHBondContact O-CB 3.26Å; D215-R218 PolarHBondContact O-N 3.42Å; H216-R218 PolarHBondContact O-N 3.42Å; R218-D220 VanDerWaalsContact C-N 3.3Å; R218-D220 PolarHBondContact O-N 3.37Å; R218-F221 HydrophobicContact CB-CD2 4.37Å; R218-F221 HydrophobicContact CG-CD2 4.27Å; R218-F221 HydrophobicContact CG-CE2 4.48Å; R218-F221 WeakPolarHBondContact O-CA 3.48Å; R218-F221 WeakPolarHBondContact O-CB 3.44Å; R218-F221 PolarHBondContact O-N 2.88Å
219F51.2Low49.5Very low13 Ų1376.7 Ų76.76%0.05740%0.404CS..Hα-helixtrans-71-27.3174.3-105.5-83.3000113.1L157 M158 F221 L222L157-F219 HydrophobicContact CB-CB 4.34Å; L157-F219 HydrophobicContact CB-CD1 3.58Å; L157-F219 HydrophobicContact CB-CD2 3.78Å; L157-F219 HydrophobicContact CB-CE1 3.66Å; L157-F219 HydrophobicContact CB-CE2 3.86Å; L157-F219 HydrophobicContact CB-CG 3.63Å; L157-F219 HydrophobicContact CB-CZ 3.79Å; L157-F219 HydrophobicContact CD1-CB 3.38Å; L157-F219 HydrophobicContact CD1-CD1 4.26Å; L157-F219 HydrophobicContact CD1-CD2 3.77Å; L157-F219 HydrophobicContact CD1-CG 3.55Å; L157-F219 HydrophobicContact CG-CB 4.34Å; L157-F219 HydrophobicContact CG-CD1 4.42Å; L157-F219 HydrophobicContact CG-CD2 4.42Å; L157-F219 HydrophobicContact CG-CG 4.15Å; M158-F219 HydrophobicContact CB-CZ 4.4Å; F219-F221 PolarHBondContact O-N 3.1Å; F219-L222 HydrophobicContact CD1-CD2 4.48Å; F219-L222 HydrophobicContact CE1-CD2 4.25Å; F219-L222 WeakPolarHBondContact O-CB 3.42Å; F219-L222 PolarHBondContact O-N 2.96Å
220D46.9Very low49.1Very low131 Ų13177.9 Ų77.970%0.70141%0.408SS*.Hα-helixtrans-60.5-23.1166-88.3-14.9000111.6R218 Y223 G224R218-D220 VanDerWaalsContact C-N 3.3Å; R218-D220 PolarHBondContact O-N 3.37Å; D220-Y223 PolarHBondContact O-N 3Å; D220-G224 VanDerWaalsContact O-CA 3.26Å; D220-G224 WeakPolarHBondContact O-CA 3.34Å; D220-G224 PolarHBondContact O-N 3.21Å
221F49.9Very low48.8Very low56 Ų5686 Ų8625%0.24644%0.437CS..Hα-helixtrans-82.1-6.1173.2-62.3-105.9000113.5R217 R218 F219 K226 A227 F230R217-F221 VanDerWaalsContact O-CD2 3.25Å; R217-F221 WeakPolarHBondContact O-CD2 3.33Å; R217-F221 VanDerWaalsContact O-CE2 3.25Å; R217-F221 WeakPolarHBondContact O-CE2 3.2Å; R218-F221 HydrophobicContact CB-CD2 4.37Å; R218-F221 HydrophobicContact CG-CD2 4.27Å; R218-F221 HydrophobicContact CG-CE2 4.48Å; R218-F221 WeakPolarHBondContact O-CA 3.48Å; R218-F221 WeakPolarHBondContact O-CB 3.44Å; R218-F221 PolarHBondContact O-N 2.88Å; F219-F221 PolarHBondContact O-N 3.1Å; F221-K226 HydrophobicContact CD1-CB 3.8Å; F221-K226 WeakPolarHBondContact CD1-O 3.34Å; F221-K226 HydrophobicContact CE1-CB 3.62Å; F221-K226 HydrophobicContact CE1-CD 4.39Å; F221-K226 HydrophobicContact CZ-CB 4.44Å; F221-A227 WeakPolarHBondContact O-CA 3.31Å; F221-A227 WeakPolarHBondContact O-CB 3.23Å; F221-F230 AromaticContact CD1-CD2 3.53Å; F221-F230 HydrophobicContact CD1-CD2 3.53Å; F221-F230 AromaticContact CD1-CE2 3.9Å; F221-F230 HydrophobicContact CD1-CE2 3.9Å; F221-F230 AromaticContact CE1-CD2 3.43Å; F221-F230 HydrophobicContact CE1-CD2 3.43Å; F221-F230 VanDerWaalsContact CE1-CD2 3.43Å; F221-F230 AromaticContact CE1-CE2 3.31Å; F221-F230 HydrophobicContact CE1-CE2 3.31Å; F221-F230 HydrophobicContact CZ-CD2 4.29Å; F221-F230 AromaticContact CZ-CE2 3.78Å; F221-F230 HydrophobicContact CZ-CE2 3.78Å
222L52.1Low48.6Very low19 Ų1988.6 Ų88.610%0.09944%0.439CS..Hα-helixtrans-79.7-27.7167.5-104.183.2000112I212 F219 V235 V241I212-L222 HydrophobicContact CD1-CD1 3.98Å; I212-L222 HydrophobicContact CD1-CD2 3.65Å; I212-L222 HydrophobicContact CD1-CG 4.27Å; I212-L222 HydrophobicContact CG2-CD1 3.64Å; F219-L222 HydrophobicContact CD1-CD2 4.48Å; F219-L222 HydrophobicContact CE1-CD2 4.25Å; F219-L222 WeakPolarHBondContact O-CB 3.42Å; F219-L222 PolarHBondContact O-N 2.96Å; L222-V235 HydrophobicContact CD2-CB 3.83Å; L222-V235 HydrophobicContact CD2-CG1 4.19Å; L222-V235 HydrophobicContact CD2-CG2 3.94Å; L222-V235 HydrophobicContact CG-CB 4.18Å; L222-V235 HydrophobicContact CG-CG2 4.03Å; L222-V241 HydrophobicContact CD2-CG1 4.46Å
223Y46.6Very low48.5Very low73 Ų7395.1 Ų95.129%0.28647%0.467SS..Hα-helixtrans-129-12.8-167.3-74-81000115.2H161 D220 R237H161-Y223 PolarHBondContact CE1-OH 2.91Å; H161-Y223 AromaticContact ND1-CE2 3.56Å; H161-Y223 AromaticContact ND1-CZ 3.49Å; H161-Y223 PolarHBondContact ND1-OH 3.33Å; D220-Y223 PolarHBondContact O-N 3Å; Y223-R237 HydrophobicContact CE1-CG 3.84Å
224G46.4Very low49.1Very low19 Ų19100.6 Ų100.620%0.19648%0.482CS..SBendtrans-94169.9-179.600000114.6D220 K226 A227D220-G224 VanDerWaalsContact O-CA 3.26Å; D220-G224 WeakPolarHBondContact O-CA 3.34Å; D220-G224 PolarHBondContact O-N 3.21Å; G224-K226 PolarHBondContact O-N 3.06Å; G224-A227 WeakPolarHBondContact O-CB 3.39Å; G224-A227 PolarHBondContact O-N 2.87Å; G224-A227 VanDerWaalsContact O-N 3.14Å
225P46.9Very low50.1Low129 Ų12999.5 Ų99.584%0.83847%0.471SS*.G310 helixtrans-61.7-26.2-179.822.1-31.3000113.4A227P225-A227 PolarHBondContact O-N 3.31Å
226K43.1Very low51.5Low137 Ų13799.4 Ų99.460%0.59647%0.471SS*.G310 helixtrans-75-6.5177.3-64.4-172177.4-178.50114.6F221 G224 A228 M229F221-K226 HydrophobicContact CD1-CB 3.8Å; F221-K226 WeakPolarHBondContact CD1-O 3.34Å; F221-K226 HydrophobicContact CE1-CB 3.62Å; F221-K226 HydrophobicContact CE1-CD 4.39Å; F221-K226 HydrophobicContact CZ-CB 4.44Å; G224-K226 PolarHBondContact O-N 3.06Å; K226-A228 PolarHBondContact O-N 3.17Å; K226-M229 WeakPolarHBondContact O-CB 3.17Å; K226-M229 PolarHBondContact O-N 2.99Å
227A49Very low53.1Low6 Ų6100.6 Ų100.65%0.0547%0.471CS..G310 helixtrans-53.7-33174.100000113.2F221 G224 P225 M229 R234F221-A227 WeakPolarHBondContact O-CA 3.31Å; F221-A227 WeakPolarHBondContact O-CB 3.23Å; G224-A227 WeakPolarHBondContact O-CB 3.39Å; G224-A227 PolarHBondContact O-N 2.87Å; G224-A227 VanDerWaalsContact O-N 3.14Å; P225-A227 PolarHBondContact O-N 3.31Å; A227-M229 VanDerWaalsContact C-N 3.3Å; A227-R234 HydrophobicContact CB-CG 4.06Å
228A45.4Very low54.7Low84 Ų8491.7 Ų91.769%0.69444%0.442SS*.G310 helixtrans-75.3-16.6178.800000113.7K226K226-A228 PolarHBondContact O-N 3.17Å
229M48.7Very low56.4Low154 Ų15489 Ų8976%0.75944%0.435SS*.THydrogen-bonded Turntrans-82.8-27.9-173.2-161.7177.4-162.700112.9K226 A227K226-M229 WeakPolarHBondContact O-CB 3.17Å; K226-M229 PolarHBondContact O-N 2.99Å; A227-M229 VanDerWaalsContact C-N 3.3Å
230F46.5Very low58.1Low97 Ų9788.5 Ų88.543%0.42543%0.433SS..SBendtrans-92.7126.4164.9-74.5-88.4000106.5F221 R232F221-F230 AromaticContact CD1-CD2 3.53Å; F221-F230 HydrophobicContact CD1-CD2 3.53Å; F221-F230 AromaticContact CD1-CE2 3.9Å; F221-F230 HydrophobicContact CD1-CE2 3.9Å; F221-F230 AromaticContact CE1-CD2 3.43Å; F221-F230 HydrophobicContact CE1-CD2 3.43Å; F221-F230 VanDerWaalsContact CE1-CD2 3.43Å; F221-F230 AromaticContact CE1-CE2 3.31Å; F221-F230 HydrophobicContact CE1-CE2 3.31Å; F221-F230 HydrophobicContact CZ-CD2 4.29Å; F221-F230 AromaticContact CZ-CE2 3.78Å; F221-F230 HydrophobicContact CZ-CE2 3.78Å; F230-R232 PolarHBondContact O-N 3.45Å
231Q46.9Very low60Low205 Ų20582.3 Ų82.396%0.95840%0.4SS*.SBendtrans-61.224-179.9-69.8178.2-14.800114.9
232R52Low61.7Low153 Ų15381.4 Ų81.458%0.57740%0.395SS*.SBendtrans-87.3124.2172.6-71-172.3162.2162.1-5.8109.2F230 R234F230-R232 PolarHBondContact O-N 3.45Å; R232-R234 PolarHBondContact O-N 3.34Å
233K55.8Low63.1Low156 Ų15682.5 Ų82.568%0.67840%0.399SS*.  trans-44125.2173.4-168-177.9-178.6-168.20109.6E209 V235E209-K233 IonicContact OE1-NZ 3.63Å; E209-K233 PolarHBondContact OE1-NZ 3.38Å; E209-K233 IonicContact OE2-NZ 3.42Å; K233-V235 PolarHBondContact O-N 3.24Å; K233-V235 VanDerWaalsContact O-N 3.09Å
234R62.9Low64.9Low158 Ų15882.4 Ų82.460%0.59640%0.401SS*.PPolyproline II helixtrans-59.7117175.9-68.9-177.979.8175.99.6108.2A227 R232 N236A227-R234 HydrophobicContact CB-CG 4.06Å; R232-R234 PolarHBondContact O-N 3.34Å; R234-N236 PolarHBondContact O-N 2.9Å
235V70Confident66.7Low22 Ų2286 Ų8613%0.13342%0.421CS..PPolyproline II helixtrans-61.4127.3-178.1178.10000109.7I212 L222 K233 R237 D239 V241I212-V235 HydrophobicContact CD1-CB 4.4Å; I212-V235 HydrophobicContact CD1-CG1 4.31Å; I212-V235 HydrophobicContact CD1-CG2 3.52Å; L222-V235 HydrophobicContact CD2-CB 3.83Å; L222-V235 HydrophobicContact CD2-CG1 4.19Å; L222-V235 HydrophobicContact CD2-CG2 3.94Å; L222-V235 HydrophobicContact CG-CB 4.18Å; L222-V235 HydrophobicContact CG-CG2 4.03Å; K233-V235 PolarHBondContact O-N 3.24Å; K233-V235 VanDerWaalsContact O-N 3.09Å; V235-R237 PolarHBondContact O-N 3.26Å; V235-D239 HydrophobicContact CG1-CB 4.44Å; V235-V241 HydrophobicContact CG1-CG1 3.59Å
236N78.5Confident68.6Low74 Ų7482 Ų8240%0.39640%0.397SS..PPolyproline II helixtrans-65.4141.3178.1-161.8-36.9000109K168 R234 A238 D239K168-N236 PolarHBondContact NZ-OD1 3.22Å; R234-N236 PolarHBondContact O-N 2.9Å; N236-A238 PolarHBondContact O-N 3.29Å; N236-A238 PolarHBondContact OD1-N 3.11Å; N236-D239 HydrophobicContact CB-CB 4.33Å; N236-D239 VanDerWaalsContact CB-CG 3.44Å; N236-D239 WeakPolarHBondContact CB-OD2 3.48Å; N236-D239 PolarHBondContact N-OD2 3.49Å; N236-D239 PolarHBondContact O-N 3Å
237R80.2Confident70.7Confident121 Ų12176.9 Ų76.946%0.45738%0.377SS..THydrogen-bonded Turntrans-63.9-3.4175-54.7-174.8170.5167.4-3.8114.1K168 Y223 V235K168-R237 HydrophobicContact CD-CB 4.44Å; Y223-R237 HydrophobicContact CE1-CG 3.84Å; V235-R237 PolarHBondContact O-N 3.26Å
238A81.1Confident72.7Confident22 Ų2280.4 Ų80.418%0.18240%0.395CS..THydrogen-bonded Turntrans-104.6-15.1175.700000113.3K168 R172 N236K168-A238 HydrophobicContact CD-CB 4.01Å; R172-A238 VanDerWaalsContact CZ-CB 3.46Å; N236-A238 PolarHBondContact O-N 3.29Å; N236-A238 PolarHBondContact OD1-N 3.11Å
239D83.7Confident74.9Confident39 Ų3977.2 Ų77.221%0.20937%0.365CS..SBendtrans-84.5150.3-177.3-55.6-16.5000108.6H161 E209 V235 N236H161-D239 PolarHBondContact CD2-O 2.84Å; H161-D239 PolarHBondContact NE2-O 2.95Å; E209-D239 HydrophobicContact CB-CB 4.29Å; E209-D239 HydrophobicContact CG-CB 4.22Å; V235-D239 HydrophobicContact CG1-CB 4.44Å; N236-D239 HydrophobicContact CB-CB 4.33Å; N236-D239 VanDerWaalsContact CB-CG 3.44Å; N236-D239 WeakPolarHBondContact CB-OD2 3.48Å; N236-D239 PolarHBondContact N-OD2 3.49Å; N236-D239 PolarHBondContact O-N 3Å
240L87.7Confident77.1Confident3 Ų370.3 Ų70.32%0.01633%0.332CS..  trans-82.5149.8174.3-58.9-172.4000110.7A81 F82 A85 N162 A165 V204 N205 E209A81-L240 HydrophobicContact CB-CB 4.26Å; F82-L240 HydrophobicContact CB-CD1 4.07Å; F82-L240 HydrophobicContact CD2-CD1 4.2Å; A85-L240 HydrophobicContact CB-CD2 3.45Å; A85-L240 VanDerWaalsContact CB-CD2 3.45Å; N162-L240 HydrophobicContact CB-CD2 4.47Å; N162-L240 WeakPolarHBondContact OD1-CA 3.33Å; A165-L240 HydrophobicContact CB-CD2 3.91Å; V204-L240 HydrophobicContact CG1-CD1 3.81Å; V204-L240 HydrophobicContact CG1-CD2 3.92Å; V204-L240 HydrophobicContact CG1-CG 4.13Å; N205-L240 VanDerWaalsContact O-CD1 3.26Å; N205-L240 WeakPolarHBondContact O-CD1 3.44Å; E209-L240 PolarHBondContact N-O 2.93Å
241V86.8Confident79.2Confident1 Ų168.4 Ų68.41%0.00632%0.324CS..  trans-128.7140.9180-55.80000110.6A81 M158 H161 N162 I212 L222 V235A81-V241 WeakPolarHBondContact CB-O 3.19Å; M158-V241 HydrophobicContact CB-CG2 4.47Å; M158-V241 HydrophobicContact CG-CG2 3.89Å; M158-V241 WeakPolarHBondContact CG-O 3.41Å; H161-V241 HydrophobicContact CB-CG2 3.8Å; H161-V241 VanDerWaalsContact CD2-CG2 3.46Å; H161-V241 WeakPolarHBondContact CD2-CG2 3.38Å; H161-V241 WeakPolarHBondContact NE2-CG1 3.42Å; N162-V241 PolarHBondContact ND2-O 3.3Å; N162-V241 PolarHBondContact OD1-N 2.92Å; N162-V241 PolarHBondContact OD1-O 3.29Å; I212-V241 HydrophobicContact CD1-CB 3.58Å; I212-V241 HydrophobicContact CD1-CG1 3.28Å; I212-V241 HydrophobicContact CG1-CB 4.18Å; I212-V241 HydrophobicContact CG1-CG1 4.28Å; L222-V241 HydrophobicContact CD2-CG1 4.46Å; V235-V241 HydrophobicContact CG1-CG1 3.59Å
242Y85.4Confident81.2Confident38 Ų3862.2 Ų62.215%0.14931%0.309CS..BIsolated β-bridgetrans-144.8159.9175.762.2-85.6000109G76 R78 L211 I212G76-Y242 WeakPolarHBondContact O-CB 3.31Å; R78-Y242 HydrophobicContact CB-CD1 3.99Å; R78-Y242 HydrophobicContact CB-CD2 4.36Å; R78-Y242 HydrophobicContact CB-CE1 4.05Å; R78-Y242 HydrophobicContact CB-CE2 4.39Å; R78-Y242 HydrophobicContact CB-CG 4.16Å; R78-Y242 HydrophobicContact CG-CD1 4.27Å; R78-Y242 HydrophobicContact CG-CE1 4.12Å; L211-Y242 WeakPolarHBondContact CA-O 3.47Å; L211-Y242 HydrophobicContact CD2-CD2 3.83Å; L211-Y242 HydrophobicContact CD2-CE2 3.77Å; L211-Y242 HydrophobicContact CG-CD2 4.18Å; L211-Y242 HydrophobicContact CG-CE2 3.65Å; I212-Y242 PolarHBondContact N-O 2.83Å
243F81.9Confident82.7Confident42 Ų4257.4 Ų57.418%0.18429%0.294CS..  trans-132.5-8.3-173.864.3-93.9000114G76 R155 M158 I212 A214G76-F243 PolarHBondContact O-N 3.31Å; R155-F243 HydrophobicContact CB-CE1 4.22Å; R155-F243 HydrophobicContact CB-CZ 4Å; M158-F243 HydrophobicContact CB-CD1 3.99Å; M158-F243 HydrophobicContact CB-CE1 3.96Å; M158-F243 HydrophobicContact CG-CD1 4.03Å; M158-F243 HydrophobicContact CG-CE1 4.22Å; M158-F243 HydrophobicContact SD-CD1 3.59Å; M158-F243 VanDerWaalsContact SD-CD1 3.59Å; M158-F243 HydrophobicContact SD-CE1 3.54Å; M158-F243 VanDerWaalsContact SD-CE1 3.54Å; I212-F243 WeakPolarHBondContact O-CA 3.5Å; I212-F243 WeakPolarHBondContact O-CB 3.41Å; A214-F243 HydrophobicContact CB-CB 4.1Å; A214-F243 HydrophobicContact CB-CD2 3.58Å; A214-F243 HydrophobicContact CB-CE2 4.26Å; A214-F243 HydrophobicContact CB-CG 3.96Å
244E83Confident83.7Confident71 Ų7159 Ų5933%0.33231%0.306SS..SBendtrans-113.3141.5171.4-68.5179.6117.700109.8L75 G76L75-E244 VanDerWaalsContact CA-OE2 3.23Å; L75-E244 WeakPolarHBondContact CA-OE2 3.31Å; G76-E244 PolarHBondContact N-OE2 3.17Å; G76-E244 PolarHBondContact O-N 2.76Å
245P84.6Confident84.3Confident93 Ų9361 Ų6160%0.60431%0.314SS*.PPolyproline II helixtrans-61.1144.4171.827.4-33.5000109.9
246S86.9Confident84.6Confident47 Ų4760.8 Ų60.833%0.32931%0.313SS..PPolyproline II helixtrans-63136.9173.3-66.70000110E79E79-S246 PolarHBondContact OE1-OG 3.39Å; E79-S246 VanDerWaalsContact OE2-CB 3.31Å; E79-S246 WeakPolarHBondContact OE2-CB 3.5Å; E79-S246 PolarHBondContact OE2-OG 2.96Å
247P88.5Confident84.3Confident28 Ų2858.2 Ų58.218%0.18230%0.303CS..PPolyproline II helixtrans-68.3167.2177.431.6-36.1000110.8L75 Y249 T256L75-P247 HydrophobicContact CD2-CG 4.39Å; P247-Y249 WeakPolarHBondContact CD-OH 2.99Å; P247-Y249 HydrophobicContact CG-CD1 4.27Å; P247-Y249 HydrophobicContact CG-CE1 3.64Å; P247-Y249 HydrophobicContact CG-CE2 4.19Å; P247-Y249 WeakPolarHBondContact O-CD2 3.49Å; P247-Y249 PolarHBondContact O-N 3.08Å; P247-T256 HydrophobicContact CB-CG2 3.74Å; P247-T256 HydrophobicContact CG-CG2 4.22Å
248D90.2Very high84.5Confident81 Ų8152.7 Ų52.743%0.43328%0.284SS..  trans-73.9113.5168.8-17914.5000110.5C250D248-C250 VanDerWaalsContact C-N 3.33Å; D248-C250 WeakPolarHBondContact OD1-CB 2.92Å; D248-C250 PolarHBondContact OD1-N 3.34Å; D248-C250 PolarHBondContact OD1-SG 2.71Å
249Y92.2Very high84.8Confident16 Ų1657.2 Ų57.26%0.06330%0.304CS..  trans-88.44.5179.2-62-71.3000113.8W58 E79 P247 S258 G260W58-Y249 HydrophobicContact CB-CD1 3.79Å; W58-Y249 HydrophobicContact CB-CD2 3.81Å; W58-Y249 HydrophobicContact CB-CE1 3.86Å; W58-Y249 HydrophobicContact CB-CE2 3.87Å; W58-Y249 HydrophobicContact CB-CG 3.76Å; W58-Y249 AromaticContact CD1-CD1 3.95Å; W58-Y249 AromaticContact CD1-CE1 3.57Å; W58-Y249 HydrophobicContact CG-CD1 4.2Å; W58-Y249 AromaticContact CG-CE1 3.88Å; W58-Y249 HydrophobicContact CG-CE1 3.88Å; W58-Y249 HydrophobicContact CG-CE2 4.46Å; E79-Y249 HydrophobicContact CG-CE2 4.2Å; E79-Y249 PolarHBondContact OE2-OH 2.93Å; P247-Y249 WeakPolarHBondContact CD-OH 2.99Å; P247-Y249 HydrophobicContact CG-CD1 4.27Å; P247-Y249 HydrophobicContact CG-CE1 3.64Å; P247-Y249 HydrophobicContact CG-CE2 4.19Å; P247-Y249 WeakPolarHBondContact O-CD2 3.49Å; P247-Y249 PolarHBondContact O-N 3.08Å; Y249-S258 WeakPolarHBondContact CA-OG 3.41Å; Y249-S258 PolarHBondContact O-OG 2.87Å; Y249-G260 WeakPolarHBondContact O-CA 3.37Å
250C94Very high85.2Confident10 Ų1056 Ų567%0.06830%0.301CS..SBendtrans-67.1-39.3-179-72.50000113.3D248 G260 T261 C281 R283D248-C250 VanDerWaalsContact C-N 3.33Å; D248-C250 WeakPolarHBondContact OD1-CB 2.92Å; D248-C250 PolarHBondContact OD1-N 3.34Å; D248-C250 PolarHBondContact OD1-SG 2.71Å; C250-G260 WeakPolarHBondContact O-CA 3.03Å; C250-T261 PolarHBondContact O-N 3.19Å; C250-T261 PolarHBondContact O-OG1 3.4Å; C250-C281 VanDerWaalsContact CA-SG 3.53Å; C250-C281 HydrophobicContact CB-CB 3.62Å; C250-C281 WeakPolarHBondContact CB-SG 3.47Å; C250-C281 WeakPolarHBondContact SG-CB 3.27Å; C250-C281 CovalentContact SG-SG 2.01Å; C250-C281 PolarHBondContact SG-SG 3.44Å; C250-R283 PolarHBondContact O-NH1 3.11Å
251E91.6Very high85.5Confident56 Ų5655.9 Ų55.926%0.26230%0.3SS..SBendtrans-108.6152.7-179-61.9-62136.400110.4D253 S258 G260 R283E251-D253 PolarHBondContact O-N 2.01Å; E251-S258 WeakPolarHBondContact O-CB 3.3Å; E251-S258 PolarHBondContact O-OG 3.41Å; E251-G260 VanDerWaalsContact C-CA 3.49Å; E251-R283 IonicContact OE1-CZ 3.84Å; E251-R283 IonicContact OE1-NH1 2.69Å; E251-R283 PolarHBondContact OE1-NH1 3.4Å
252A87.6Confident85.9Confident76 Ų7658.3 Ų58.363%0.62832%0.32SS*.EExtended strand (participates in β ladder)trans-68.5128.8175.400000110.1S258A252-S258 WeakPolarHBondContact CA-O 3.31Å
253D83.7Confident86.4Confident52 Ų5259.1 Ų59.128%0.27834%0.34SS..EExtended strand (participates in β ladder)trans-148.4106.9174.3176.54.1000109.2E251 R255 T256 G257 S258E251-D253 PolarHBondContact O-N 2.01Å; D253-R255 PolarHBondContact O-N 3.08Å; D253-R255 VanDerWaalsContact OD1-CB 3.26Å; D253-R255 WeakPolarHBondContact OD1-CB 3.23Å; D253-R255 PolarHBondContact OD1-N 2.94Å; D253-T256 WeakPolarHBondContact CB-OG1 3.42Å; D253-T256 PolarHBondContact O-N 3.01Å; D253-T256 PolarHBondContact O-OG1 3.39Å; D253-T256 VanDerWaalsContact OD2-CG2 3.29Å; D253-T256 WeakPolarHBondContact OD2-CG2 3.3Å; D253-T256 PolarHBondContact OD2-OG1 2.83Å; D253-G257 PolarHBondContact O-N 3.14Å; D253-S258 CarbonylContact C-O 3.17Å; D253-S258 PolarHBondContact N-O 3.05Å; D253-S258 PolarHBondContact O-N 3.22Å
254M77Confident87Confident189 Ų18959.2 Ų59.293%0.93134%0.339SS*.THydrogen-bonded Turntrans-63-26.5179.9-66.4-172-159.900113.1G257M254-G257 PolarHBondContact O-N 2.88Å
255R75.3Confident87.6Confident200 Ų20062 Ų6276%0.75535%0.352SS*.THydrogen-bonded Turntrans-71.2-37.5-177.8-175.4178.159.2159.9-0.4111.4D253D253-R255 PolarHBondContact O-N 3.08Å; D253-R255 VanDerWaalsContact OD1-CB 3.26Å; D253-R255 WeakPolarHBondContact OD1-CB 3.23Å; D253-R255 PolarHBondContact OD1-N 2.94Å
256T75.9Confident88.1Confident18 Ų1858.2 Ų58.211%0.1133%0.328CS..THydrogen-bonded Turntrans-90.2-12.3177.2570000112.5L73 P247 D253 S258L73-T256 VanDerWaalsContact CD2-O 3.3Å; L73-T256 WeakPolarHBondContact CD2-O 3.28Å; P247-T256 HydrophobicContact CB-CG2 3.74Å; P247-T256 HydrophobicContact CG-CG2 4.22Å; D253-T256 WeakPolarHBondContact CB-OG1 3.42Å; D253-T256 PolarHBondContact O-N 3.01Å; D253-T256 PolarHBondContact O-OG1 3.39Å; D253-T256 VanDerWaalsContact OD2-CG2 3.29Å; D253-T256 WeakPolarHBondContact OD2-CG2 3.3Å; D253-T256 PolarHBondContact OD2-OG1 2.83Å; T256-S258 VanDerWaalsContact C-N 3.35Å
257G73.6Confident88.6Confident19 Ų1958.8 Ų58.820%0.19633%0.328CS..THydrogen-bonded Turntrans77.423.6-175.200000112.6T62 D253 M254T62-G257 VanDerWaalsContact CG2-O 3.3Å; T62-G257 WeakPolarHBondContact CG2-O 3.47Å; T62-G257 PolarHBondContact OG1-O 3.35Å; D253-G257 PolarHBondContact O-N 3.14Å; M254-G257 PolarHBondContact O-N 2.88Å
258S84Confident88.9Confident6 Ų664.5 Ų64.54%0.04235%0.345CS..EExtended strand (participates in β ladder)trans-83.5129.1172.4-1790000110.3Y249 E251 A252 D253 T256 G260Y249-S258 WeakPolarHBondContact CA-OG 3.41Å; Y249-S258 PolarHBondContact O-OG 2.87Å; E251-S258 WeakPolarHBondContact O-CB 3.3Å; E251-S258 PolarHBondContact O-OG 3.41Å; A252-S258 WeakPolarHBondContact CA-O 3.31Å; D253-S258 CarbonylContact C-O 3.17Å; D253-S258 PolarHBondContact N-O 3.05Å; D253-S258 PolarHBondContact O-N 3.22Å; T256-S258 VanDerWaalsContact C-N 3.35Å; S258-G260 PolarHBondContact OG-N 3.17Å
259L87.5Confident89.1Confident117 Ų11766.1 Ų66.161%0.61336%0.359SS*.EExtended strand (participates in β ladder)trans-89.5-8170.9-61178.1000112.6T61 T62T61-L259 WeakPolarHBondContact OG1-CD1 3.48Å; T62-L259 HydrophobicContact CG2-CD1 3.73Å; T62-L259 HydrophobicContact CG2-CD2 3.82Å; T62-L259 HydrophobicContact CG2-CG 3.52Å
260G91.5Very high89.2Confident13 Ų1366.5 Ų66.513%0.13436%0.364CS..  trans75.8174.4-169.300000113.3Y249 C250 E251 S258Y249-G260 WeakPolarHBondContact O-CA 3.37Å; C250-G260 WeakPolarHBondContact O-CA 3.03Å; E251-G260 VanDerWaalsContact C-CA 3.49Å; S258-G260 PolarHBondContact OG-N 3.17Å
261T95.2Very high89.1Confident0 Ų073.7 Ų73.70%040%0.401CS..SBendtrans-112.24.5-179.260.80000114.5R57 C250 G263 R264 M279 R283 C320R57-T261 HydrophobicContact CB-CG2 3.73Å; R57-T261 HydrophobicContact CG-CG2 3.92Å; C250-T261 PolarHBondContact O-N 3.19Å; C250-T261 PolarHBondContact O-OG1 3.4Å; T261-G263 PolarHBondContact O-N 3.39Å; T261-R264 VanDerWaalsContact O-CB 3.28Å; T261-R264 WeakPolarHBondContact O-CB 2.99Å; T261-R264 WeakPolarHBondContact O-CG 3.37Å; T261-R264 PolarHBondContact O-N 2.86Å; T261-M279 WeakPolarHBondContact CB-O 3.02Å; T261-M279 WeakPolarHBondContact CG2-O 3.05Å; T261-M279 HydrophobicContact CG2-SD 4.18Å; T261-M279 PolarHBondContact OG1-O 2.88Å; T261-R283 PolarHBondContact OG1-NH2 3.5Å; T261-C320 WeakPolarHBondContact O-CB 3.41Å
262A95Very high89.1Confident53 Ų5372.5 Ų72.544%0.43840%0.404SS..THydrogen-bonded Turntrans-60.8136.9172.500000110.6R264 A322A262-R264 PolarHBondContact O-N 2.93Å; A262-A322 HydrophobicContact CB-CB 4.12Å
263G94.5Very high89.3Confident55 Ų5572.3 Ų72.357%0.56739%0.39SS*.THydrogen-bonded Turntrans76.81.6-177.800000114.8T261 T319 C320T261-G263 PolarHBondContact O-N 3.39Å; G263-T319 VanDerWaalsContact C-CG2 3.42Å; G263-T319 WeakPolarHBondContact O-CG2 3.47Å; G263-C320 PolarHBondContact N-O 2.79Å
264R95Very high89.9Confident44 Ų4471.3 Ų71.317%0.16638%0.384CS..  trans-80.6139.1177.8-68.5-151.461-171.2-13112.1A54 Y56 R57 T261 A262 M279 T319 C320A54-R264 PolarHBondContact O-NH2 3.48Å; Y56-R264 PolarHBondContact O-NH1 3.25Å; R57-R264 PolarHBondContact O-NH1 3.43Å; R57-R264 VanDerWaalsContact O-NH1 3.12Å; T261-R264 VanDerWaalsContact O-CB 3.28Å; T261-R264 WeakPolarHBondContact O-CB 2.99Å; T261-R264 WeakPolarHBondContact O-CG 3.37Å; T261-R264 PolarHBondContact O-N 2.86Å; A262-R264 PolarHBondContact O-N 2.93Å; R264-M279 HydrophobicContact CB-CG 4.33Å; R264-M279 HydrophobicContact CB-SD 4.46Å; R264-T319 CarbonylContact O-C 3.57Å; R264-T319 WeakPolarHBondContact O-CA 3.45Å; R264-C320 PolarHBondContact O-N 3.02Å; R264-C320 PolarHBondContact O-SG 3.39Å; R264-C320 VanDerWaalsContact O-SG 3.41Å
265Q95.5Very high90.8Very high128 Ų12862.6 Ų62.660%0.59834%0.342SS*.EExtended strand (participates in β ladder)trans-68.1139.8169.7-68.6-178.3-9.400110.5I317 H318Q265-I317 HydrophobicContact CG-CG2 4.02Å; Q265-H318 VanDerWaalsContact CA-O 3.28Å; Q265-H318 WeakPolarHBondContact CA-O 3.41Å
266C96.4Very high91.8Very high14 Ų1453.2 Ų53.210%0.09531%0.307CS..EExtended strand (participates in β ladder)trans-131.9162.7175.8680000110.9C276 M279 H318C266-C276 VanDerWaalsContact C-SG 3.52Å; C266-C276 HydrophobicContact CB-CB 3.83Å; C266-C276 WeakPolarHBondContact CB-SG 3.25Å; C266-C276 WeakPolarHBondContact SG-CA 3.01Å; C266-C276 WeakPolarHBondContact SG-CB 3.48Å; C266-C276 CovalentContact SG-SG 2.04Å; C266-C276 PolarHBondContact SG-SG 2.92Å; C266-M279 HydrophobicContact CB-CB 4.02Å; C266-M279 HydrophobicContact CB-CG 4.22Å; C266-H318 PolarHBondContact N-O 2.85Å
267N96.3Very high92.7Very high60 Ų6058.3 Ų58.332%0.32133%0.334SS..BIsolated β-bridgetrans-110.4112.5179.8-172.8-6.6000110.3T269 S270 D274 S275 C276N267-T269 VanDerWaalsContact C-N 3.28Å; N267-T269 PolarHBondContact O-N 3.29Å; N267-T269 PolarHBondContact OD1-N 2Å; N267-T269 VanDerWaalsContact OD1-N 3.14Å; N267-T269 PolarHBondContact OD1-OG1 2.9Å; N267-S270 PolarHBondContact O-N 2.93Å; N267-D274 HydrophobicContact CB-CB 4.43Å; N267-D274 WeakPolarHBondContact CB-OD2 3.36Å; N267-D274 PolarHBondContact N-O 3.34Å; N267-D274 PolarHBondContact ND2-OD2 3.42Å; N267-S275 WeakPolarHBondContact O-CA 3.22Å; N267-C276 VanDerWaalsContact C-SG 3.59Å; N267-C276 PolarHBondContact O-N 3.44Å
268R95.2Very high93.7Very high147 Ų14760.2 Ų60.256%0.55534%0.339SS*.THydrogen-bonded Turntrans-67.5-28.2-178-171.9178.575.8168.52.8113C276 Y285R268-C276 PolarHBondContact N-SG 3.49Å; R268-Y285 WeakPolarHBondContact CD-OH 3.42Å; R268-Y285 WeakPolarHBondContact CG-OH 3.32Å
269T93.9Very high94.3Very high116 Ų11660 Ų6071%0.71234%0.337SS*.THydrogen-bonded Turntrans-91.9-7.4-177.259.20000113.3N267N267-T269 VanDerWaalsContact C-N 3.28Å; N267-T269 PolarHBondContact O-N 3.29Å; N267-T269 PolarHBondContact OD1-N 2Å; N267-T269 VanDerWaalsContact OD1-N 3.14Å; N267-T269 PolarHBondContact OD1-OG1 2.9Å
270S95.1Very high94.7Very high24 Ų2454.4 Ų54.417%0.16831%0.308CS..  trans-84.3145.1177.9-175.70000111.4N267 G272 D274 S275N267-S270 PolarHBondContact O-N 2.93Å; S270-G272 PolarHBondContact OG-N 3.22Å; S270-D274 WeakPolarHBondContact CB-OD1 3.49Å; S270-D274 WeakPolarHBondContact CB-OD2 3.49Å; S270-D274 VanDerWaalsContact OG-CG 3.29Å; S270-D274 PolarHBondContact OG-OD1 3.35Å; S270-D274 PolarHBondContact OG-OD2 3.41Å; S270-S275 WeakPolarHBondContact O-CB 3.37Å; S270-S275 PolarHBondContact O-OG 2.53Å
271N92.4Very high94.9Very high161 Ų16155.3 Ų55.386%0.86131%0.312SS*.  trans-100.21.8168.8-63.6-22.5000112.4
272G91.7Very high94.8Very high30 Ų3058.7 Ų58.731%0.30935%0.346SS..SBendtrans-89-167.4-177.100000114.2S270 D274 S275 I278S270-G272 PolarHBondContact OG-N 3.22Å; G272-D274 PolarHBondContact O-N 2.66Å; G272-S275 WeakPolarHBondContact O-CB 3.3Å; G272-S275 PolarHBondContact O-N 3.03Å; G272-I278 WeakPolarHBondContact O-CD1 3.43Å
273Q91.7Very high94.7Very high73 Ų7358.5 Ų58.534%0.34133%0.334SS..THydrogen-bonded Turntrans-58.4-28.1177.8-69.6-95.73.500113.4N55 Y56 S275 M279N55-Q273 CarbonylContact O-C 3.58Å; N55-Q273 VanDerWaalsContact O-CB 3.27Å; N55-Q273 WeakPolarHBondContact O-CB 3.34Å; Y56-Q273 HydrophobicContact CD1-CB 4.3Å; Y56-Q273 HydrophobicContact CD1-CG 3.81Å; Y56-Q273 HydrophobicContact CE1-CB 4.41Å; Y56-Q273 VanDerWaalsContact CE1-CD 3.42Å; Y56-Q273 HydrophobicContact CE1-CG 3.58Å; Y56-Q273 VanDerWaalsContact CE1-NE2 3.32Å; Y56-Q273 HydrophobicContact CG-CB 4.43Å; Y56-Q273 HydrophobicContact CG-CG 4.41Å; Q273-S275 VanDerWaalsContact C-N 3.29Å; Q273-M279 WeakPolarHBondContact O-CE 3.23Å
274D94.5Very high94.8Very high30 Ų3057.2 Ų57.216%0.1632%0.322CS..THydrogen-bonded Turntrans-79.4-8175.761-38.4000113.8N55 N267 S270 G272 C276N55-D274 HydrophobicContact CB-CB 3.87Å; N55-D274 PolarHBondContact O-N 3.21Å; N267-D274 HydrophobicContact CB-CB 4.43Å; N267-D274 WeakPolarHBondContact CB-OD2 3.36Å; N267-D274 PolarHBondContact N-O 3.34Å; N267-D274 PolarHBondContact ND2-OD2 3.42Å; S270-D274 WeakPolarHBondContact CB-OD1 3.49Å; S270-D274 WeakPolarHBondContact CB-OD2 3.49Å; S270-D274 VanDerWaalsContact OG-CG 3.29Å; S270-D274 PolarHBondContact OG-OD1 3.35Å; S270-D274 PolarHBondContact OG-OD2 3.41Å; G272-D274 PolarHBondContact O-N 2.66Å; D274-C276 PolarHBondContact O-N 3.14Å
275S97Very high94.8Very high7 Ų758.3 Ų58.35%0.04933%0.326CS..BIsolated β-bridgetrans-54139.4176.5-175.60000110.8N267 S270 G272 Q273 D277 I278 M279N267-S275 WeakPolarHBondContact O-CA 3.22Å; S270-S275 WeakPolarHBondContact O-CB 3.37Å; S270-S275 PolarHBondContact O-OG 2.53Å; G272-S275 WeakPolarHBondContact O-CB 3.3Å; G272-S275 PolarHBondContact O-N 3.03Å; Q273-S275 VanDerWaalsContact C-N 3.29Å; S275-D277 PolarHBondContact O-N 3.02Å; S275-I278 PolarHBondContact O-N 2.96Å; S275-I278 VanDerWaalsContact O-N 3.13Å; S275-M279 VanDerWaalsContact O-CB 3.3Å; S275-M279 WeakPolarHBondContact O-CB 3.06Å; S275-M279 PolarHBondContact O-N 3.39Å
276C96.6Very high94.9Very high3 Ų356.3 Ų56.32%0.0232%0.32CS..Hα-helixtrans-58.8-32.8177.8-69.10000113.3C266 N267 R268 D274 I278 C280 Y285C266-C276 VanDerWaalsContact C-SG 3.52Å; C266-C276 HydrophobicContact CB-CB 3.83Å; C266-C276 WeakPolarHBondContact CB-SG 3.25Å; C266-C276 WeakPolarHBondContact SG-CA 3.01Å; C266-C276 WeakPolarHBondContact SG-CB 3.48Å; C266-C276 CovalentContact SG-SG 2.04Å; C266-C276 PolarHBondContact SG-SG 2.92Å; N267-C276 VanDerWaalsContact C-SG 3.59Å; N267-C276 PolarHBondContact O-N 3.44Å; R268-C276 PolarHBondContact N-SG 3.49Å; D274-C276 PolarHBondContact O-N 3.14Å; C276-I278 VanDerWaalsContact C-N 3.34Å; C276-I278 PolarHBondContact O-N 3.28Å; C276-C280 WeakPolarHBondContact O-CB 3.38Å; C276-C280 PolarHBondContact O-N 2.7Å; C276-C280 PolarHBondContact O-SG 2.99Å; C276-Y285 HydrophobicContact CB-CD1 3.44Å; C276-Y285 VanDerWaalsContact CB-CD1 3.44Å; C276-Y285 HydrophobicContact CB-CE1 3.51Å; C276-Y285 HydrophobicContact CB-CG 4.17Å
277D94.2Very high94.9Very high124 Ų12459 Ų5966%0.66334%0.336SS*.Hα-helixtrans-67.4-38.6178.6-60.5-30.7000111.4S275 G282S275-D277 PolarHBondContact O-N 3.02Å; D277-G282 PolarHBondContact O-N 3.04Å
278I94.8Very high94.9Very high59 Ų5959.5 Ų59.530%0.30334%0.341SS..Hα-helixtrans-81.4-53.7-179.9-63.9176.5000110.6R57 G272 S275 C276 C280 C281R57-I278 PolarHBondContact NE-O 3.03Å; R57-I278 PolarHBondContact NH2-O 2.87Å; G272-I278 WeakPolarHBondContact O-CD1 3.43Å; S275-I278 PolarHBondContact O-N 2.96Å; S275-I278 VanDerWaalsContact O-N 3.13Å; C276-I278 VanDerWaalsContact C-N 3.34Å; C276-I278 PolarHBondContact O-N 3.28Å; I278-C280 PolarHBondContact O-N 2.68Å; I278-C281 PolarHBondContact O-N 3.41Å
279M95.7Very high94.9Very high1 Ų161 Ų611%0.00535%0.347CS..Hα-helixtrans-61.7-42.2-176.5-174.162.863.900111.8N55 R57 T261 R264 C266 Q273 S275 C281N55-M279 WeakPolarHBondContact O-CE 3.07Å; R57-M279 HydrophobicContact CG-SD 4.4Å; T261-M279 WeakPolarHBondContact CB-O 3.02Å; T261-M279 WeakPolarHBondContact CG2-O 3.05Å; T261-M279 HydrophobicContact CG2-SD 4.18Å; T261-M279 PolarHBondContact OG1-O 2.88Å; R264-M279 HydrophobicContact CB-CG 4.33Å; R264-M279 HydrophobicContact CB-SD 4.46Å; C266-M279 HydrophobicContact CB-CB 4.02Å; C266-M279 HydrophobicContact CB-CG 4.22Å; Q273-M279 WeakPolarHBondContact O-CE 3.23Å; S275-M279 VanDerWaalsContact O-CB 3.3Å; S275-M279 WeakPolarHBondContact O-CB 3.06Å; S275-M279 PolarHBondContact O-N 3.39Å; M279-C281 VanDerWaalsContact C-N 3.31Å; M279-C281 PolarHBondContact O-N 2.87Å
280C96.6Very high95Very high0 Ų058 Ų580%033%0.328CS..THydrogen-bonded Turntrans-880.6-176.3-48.80000113.8C276 I278 G282 R283 G284 C320C276-C280 WeakPolarHBondContact O-CB 3.38Å; C276-C280 PolarHBondContact O-N 2.7Å; C276-C280 PolarHBondContact O-SG 2.99Å; I278-C280 PolarHBondContact O-N 2.68Å; C280-G282 VanDerWaalsContact C-N 3.26Å; C280-G282 PolarHBondContact O-N 2.82Å; C280-R283 WeakPolarHBondContact O-CB 3.36Å; C280-R283 PolarHBondContact O-N 3.13Å; C280-G284 WeakPolarHBondContact CB-O 3.38Å; C280-C320 WeakPolarHBondContact CA-SG 3.34Å; C280-C320 HydrophobicContact CB-CB 3.58Å; C280-C320 WeakPolarHBondContact CB-SG 3.34Å; C280-C320 PolarHBondContact N-SG 3.32Å; C280-C320 VanDerWaalsContact N-SG 3.43Å; C280-C320 WeakPolarHBondContact SG-CA 3.03Å; C280-C320 WeakPolarHBondContact SG-CB 3.04Å; C280-C320 CovalentContact SG-SG 2.04Å; C280-C320 PolarHBondContact SG-SG 3.18Å
281C95.6Very high95.1Very high33 Ų3361.9 Ų61.922%0.22334%0.343CS..THydrogen-bonded Turntrans54.940.3173.1-52.20000113.3C250 I278 M279 R283C250-C281 VanDerWaalsContact CA-SG 3.53Å; C250-C281 HydrophobicContact CB-CB 3.62Å; C250-C281 WeakPolarHBondContact CB-SG 3.47Å; C250-C281 WeakPolarHBondContact SG-CB 3.27Å; C250-C281 CovalentContact SG-SG 2.01Å; C250-C281 PolarHBondContact SG-SG 3.44Å; I278-C281 PolarHBondContact O-N 3.41Å; M279-C281 VanDerWaalsContact C-N 3.31Å; M279-C281 PolarHBondContact O-N 2.87Å; C281-R283 PolarHBondContact O-N 3.23Å
282G93Very high95.3Very high70 Ų7061.1 Ų61.172%0.72233%0.328SS*.THydrogen-bonded Turntrans71.31.1-17900000116D277 C280 G284D277-G282 PolarHBondContact O-N 3.04Å; C280-G282 VanDerWaalsContact C-N 3.26Å; C280-G282 PolarHBondContact O-N 2.82Å; G282-G284 PolarHBondContact O-N 3Å
283R94.2Very high95.5Very high49 Ų4966.9 Ų66.919%0.18534%0.342CS..SBendtrans-74.6-7.9177.5-58.9-170.7-60.2-94.5-13.6113.7C250 E251 T261 C280 C281 K321C250-R283 PolarHBondContact O-NH1 3.11Å; E251-R283 IonicContact OE1-CZ 3.84Å; E251-R283 IonicContact OE1-NH1 2.69Å; E251-R283 PolarHBondContact OE1-NH1 3.4Å; T261-R283 PolarHBondContact OG1-NH2 3.5Å; C280-R283 WeakPolarHBondContact O-CB 3.36Å; C280-R283 PolarHBondContact O-N 3.13Å; C281-R283 PolarHBondContact O-N 3.23Å; R283-K321 PolarHBondContact NE-O 3.33Å
284G94.5Very high95.8Very high29 Ų2967 Ų6730%0.29934%0.341SS..  trans75.8-177.2-170.300000113C280 G282 K321C280-G284 WeakPolarHBondContact CB-O 3.38Å; G282-G284 PolarHBondContact O-N 3Å; G284-K321 PolarHBondContact O-N 3.26Å
285Y96.8Very high95.9Very high67 Ų6772 Ų7226%0.26336%0.362SS..EExtended strand (participates in β ladder)trans-143151.9-176.251.9-86.9000110.7R268 C276 H318 T319R268-Y285 WeakPolarHBondContact CD-OH 3.42Å; R268-Y285 WeakPolarHBondContact CG-OH 3.32Å; C276-Y285 HydrophobicContact CB-CD1 3.44Å; C276-Y285 VanDerWaalsContact CB-CD1 3.44Å; C276-Y285 HydrophobicContact CB-CE1 3.51Å; C276-Y285 HydrophobicContact CB-CG 4.17Å; Y285-H318 HydrophobicContact CD2-CB 3.74Å; Y285-H318 AromaticContact CD2-CG 3.95Å; Y285-H318 AromaticContact CD2-ND1 3.76Å; Y285-H318 HydrophobicContact CE2-CB 4.29Å; Y285-H318 AromaticContact CE2-ND1 3.63Å; Y285-H318 HydrophobicContact CG-CB 4.32Å; Y285-T319 CarbonylContact C-O 3.05Å; Y285-T319 WeakPolarHBondContact CA-O 3.47Å; Y285-T319 VanDerWaalsContact CB-O 3.3Å; Y285-T319 WeakPolarHBondContact CB-O 3.31Å
286D96.4Very high95.9Very high86 Ų8672.3 Ų72.346%0.4636%0.364SS..EExtended strand (participates in β ladder)trans-89.6143.6167.8-67.6-47.9000109.6H318 T319 K321D286-H318 CarbonylContact O-C 3.58Å; D286-H318 VanDerWaalsContact O-CA 3.31Å; D286-H318 WeakPolarHBondContact O-CA 3.37Å; D286-T319 PolarHBondContact N-O 2.66Å; D286-T319 PolarHBondContact O-N 3.13Å; D286-K321 VanDerWaalsContact CG-CE 3.45Å; D286-K321 WeakPolarHBondContact OD1-CE 2.83Å; D286-K321 IonicContact OD1-NZ 3.69Å; D286-K321 PolarHBondContact OD1-NZ 2.87Å
287T97.1Very high95.9Very high71 Ų7177.7 Ų77.744%0.43639%0.392SS..EExtended strand (participates in β ladder)trans-113121.2177.5-58.70000108.8D316 H318T287-D316 HydrophobicContact CG2-CB 3.91Å; T287-H318 WeakPolarHBondContact CG2-ND1 3.49Å; T287-H318 PolarHBondContact OG1-ND1 2.04Å
288T96.1Very high96.1Very high69 Ų6975.1 Ų75.142%0.42338%0.383SS..EExtended strand (participates in β ladder)trans-116.6127.6177.154.50000109I317T288-I317 PolarHBondContact N-O 3.1Å; T288-I317 PolarHBondContact O-N 2.8Å; T288-I317 PolarHBondContact OG1-O 2.02Å
289R95.9Very high96.1Very high180 Ų18079.7 Ų79.768%0.67940%0.401SS*.EExtended strand (participates in β ladder)trans-91.7115.8178.3-178.2162.3-81.4-172.4-0.1108.6I314 D316R289-I314 VanDerWaalsContact CD-CG2 3.42Å; R289-I314 HydrophobicContact CG-CG2 3.18Å; R289-D316 WeakPolarHBondContact CB-OD1 3.39Å; R289-D316 WeakPolarHBondContact CG-OD1 3.04Å; R289-D316 IonicContact CZ-OD1 3.42Å; R289-D316 IonicContact CZ-OD2 3.67Å; R289-D316 IonicContact NE-OD1 2.84Å; R289-D316 PolarHBondContact NE-OD1 3.48Å; R289-D316 IonicContact NE-OD2 3.65Å; R289-D316 IonicContact NH2-OD1 2.66Å; R289-D316 PolarHBondContact NH2-OD1 2.72Å; R289-D316 IonicContact NH2-OD2 3.15Å; R289-D316 PolarHBondContact NH2-OD2 3.23Å
290V95.8Very high96.2Very high53 Ų5386.1 Ų86.132%0.32143%0.429SS..EExtended strand (participates in β ladder)trans-122.9146-176.3-58.10000111.3V315 I317V290-V315 HydrophobicContact CG2-CG2 3.71Å; V290-V315 PolarHBondContact N-O 2.94Å; V290-V315 PolarHBondContact O-N 2.88Å; V290-I317 HydrophobicContact CG1-CD1 4.47Å; V290-I317 HydrophobicContact CG2-CD1 3.4Å; V290-I317 HydrophobicContact CG2-CG1 3.78Å
291Q97Very high96Very high104 Ų10489 Ų8949%0.48644%0.444SS..EExtended strand (participates in β ladder)trans-85.4115.6172.6-168.1172.216.600109.1T312 E313Q291-T312 HydrophobicContact CG-CG2 4.17Å; Q291-T312 VanDerWaalsContact NE2-CB 3.28Å; Q291-T312 PolarHBondContact NE2-OG1 3.13Å; Q291-T312 VanDerWaalsContact NE2-OG1 3.11Å; Q291-E313 CarbonylContact C-O 3.59Å; Q291-E313 WeakPolarHBondContact CA-O 3.49Å
292R95.7Very high95.9Very high146 Ų14698.3 Ų98.355%0.55148%0.475SS*.EExtended strand (participates in β ladder)trans-99.5130178.1-175.2-177.7-176.8-170.25.6109.9T312 E313 V315R292-T312 VanDerWaalsContact O-CA 3.31Å; R292-T312 WeakPolarHBondContact O-CA 3.42Å; R292-E313 HydrophobicContact CB-CG 4.04Å; R292-E313 WeakPolarHBondContact CD-OE1 3.46Å; R292-E313 PolarHBondContact N-O 2.9Å; R292-E313 IonicContact NH1-OE1 2.98Å; R292-E313 PolarHBondContact O-N 3.16Å; R292-V315 HydrophobicContact CB-CG2 3.95Å
293Y97.1Very high95.8Very high150 Ų15099.3 Ų99.359%0.58847%0.47SS*.EExtended strand (participates in β ladder)trans-94.7133.5175.6-59.5-95.5000109.8T310 C311 T312Y293-T310 HydrophobicContact CD1-CG2 4.19Å; Y293-C311 WeakPolarHBondContact CA-O 3.49Å; Y293-T312 HydrophobicContact CD1-CG2 3.38Å; Y293-T312 HydrophobicContact CE1-CG2 3.33Å; Y293-T312 HydrophobicContact CG-CG2 4.24Å
294F97.1Very high95.5Very high76 Ų76102.1 Ų102.133%0.33350%0.496SS..EExtended strand (participates in β ladder)trans-146.3162.3176.369.9-79000111.6C296 C311 E313F294-C296 HydrophobicContact CD2-CB 4.25Å; F294-C296 HydrophobicContact CE2-CB 3.78Å; F294-C296 HydrophobicContact CZ-CB 4.42Å; F294-C311 HydrophobicContact CD1-CB 4.25Å; F294-C311 HydrophobicContact CE1-CB 3.75Å; F294-C311 HydrophobicContact CE2-CB 4.19Å; F294-C311 HydrophobicContact CZ-CB 3.72Å; F294-C311 PolarHBondContact N-O 2.81Å; F294-C311 PolarHBondContact O-N 2.77Å; F294-E313 HydrophobicContact CD1-CG 3.99Å; F294-E313 HydrophobicContact CE1-CB 3.96Å; F294-E313 HydrophobicContact CE1-CG 3.76Å
295K97.1Very high95.6Very high135 Ų135107.7 Ų107.759%0.58751%0.508SS*.EExtended strand (participates in β ladder)trans-85126.1177-62.5-57.4-177.1-179.40109.7C308 T310K295-C308 HydrophobicContact CB-CB 4.03Å; K295-C308 HydrophobicContact CD-CB 4.17Å; K295-C308 HydrophobicContact CG-CB 4.47Å; K295-T310 PolarHBondContact NZ-OG1 2.71Å
296C97.1Very high95.5Very high14 Ų14109 Ų10910%0.09552%0.522CS..EExtended strand (participates in β ladder)trans-135.1165.7-17663.70000110F294 C298 L309 C311F294-C296 HydrophobicContact CD2-CB 4.25Å; F294-C296 HydrophobicContact CE2-CB 3.78Å; F294-C296 HydrophobicContact CZ-CB 4.42Å; C296-C298 PolarHBondContact O-N 2.76Å; C296-C298 VanDerWaalsContact O-N 3.1Å; C296-L309 PolarHBondContact N-O 2.85Å; C296-L309 PolarHBondContact O-N 2.85Å; C296-L309 PolarHBondContact SG-O 2.99Å; C296-C311 HydrophobicContact CB-CB 3.66Å; C296-C311 WeakPolarHBondContact CB-SG 3.26Å; C296-C311 WeakPolarHBondContact SG-CB 3.41Å; C296-C311 PolarHBondContact SG-N 2.03Å; C296-C311 VanDerWaalsContact SG-N 3.44Å; C296-C311 CovalentContact SG-SG 2Å; C296-C311 PolarHBondContact SG-SG 2.91Å
297N97Very high95.6Very high116 Ų116109.1 Ų109.162%0.6252%0.52SS*.EExtended strand (participates in β ladder)trans5040.6174.7-62.1-30.8000113K299 L309N297-K299 PolarHBondContact O-N 2.87Å; N297-L309 HydrophobicContact CB-CD1 4.1Å; N297-L309 HydrophobicContact CB-CG 4.43Å
298C97.2Very high95.6Very high70 Ų70107.9 Ų107.947%0.47351%0.514SS..EExtended strand (participates in β ladder)trans-67.7122.7-179.1-65.40000110.5C296 V306 E307 C308C296-C298 PolarHBondContact O-N 2.76Å; C296-C298 VanDerWaalsContact O-N 3.1Å; C298-V306 HydrophobicContact CB-CG1 3.94Å; C298-E307 CarbonylContact C-O 3.55Å; C298-E307 WeakPolarHBondContact CA-O 3.09Å; C298-C308 HydrophobicContact CB-CB 4.08Å; C298-C308 WeakPolarHBondContact CB-SG 3.26Å; C298-C308 WeakPolarHBondContact SG-CB 3.3Å; C298-C308 CovalentContact SG-SG 2.04Å; C298-C308 PolarHBondContact SG-SG 3.2Å
299K96.1Very high95.7Very high155 Ų155109.8 Ų109.867%0.67452%0.521SS*.EExtended strand (participates in β ladder)trans-111.9131.9174.8-66.8-175.1-179.4-1790109.7N297 I301 E307N297-K299 PolarHBondContact O-N 2.87Å; K299-I301 PolarHBondContact O-N 2.83Å; K299-E307 PolarHBondContact N-O 3.02Å; K299-E307 PolarHBondContact O-N 3.46Å
300F96.5Very high95.8Very high136 Ų136105.3 Ų105.360%0.59651%0.513SS*.EExtended strand (participates in β ladder)trans-78.2119.4167.8-177.4-100.5000108.5V306F300-V306 HydrophobicContact CD2-CG2 4.03Å
301I93.8Very high95.9Very high61 Ų61104.5 Ų104.531%0.31351%0.51SS..EExtended strand (participates in β ladder)trans-92119.6171.3-60-175.6000106.5K299 C303 R305 E307K299-I301 PolarHBondContact O-N 2.83Å; I301-C303 PolarHBondContact O-N 2.99Å; I301-R305 HydrophobicContact CB-CG 4.13Å; I301-R305 PolarHBondContact N-O 3.35Å; I301-R305 PolarHBondContact O-N 3.48Å; I301-E307 HydrophobicContact CD1-CB 4.21Å; I301-E307 HydrophobicContact CD1-CG 3.8Å; I301-E307 WeakPolarHBondContact CD1-OE1 3.33Å; I301-E307 WeakPolarHBondContact CD1-OE2 3.1Å
302W92.7Very high95.9Very high228 Ų228103 Ų10386%0.86451%0.507SS*.THydrogen-bonded Turntrans-54.7124.9-178.9-169.989.4000110
303C90.2Very high96Very high91 Ų9199.5 Ų99.562%0.61550%0.497SS*.THydrogen-bonded Turntrans6285.9-171.5-159.20000115.4I301I301-C303 PolarHBondContact O-N 2.99Å
304C89Confident96Very high108 Ų10898 Ų9873%0.7350%0.498SS*.THydrogen-bonded Turncis-151.451-7.3-870000107.1
305R95.3Very high95.9Very high146 Ų14696.3 Ų96.355%0.55149%0.494SS*.EExtended strand (participates in β ladder)trans-129147.8-172.469.9-175.2-168.7-134.85.4111.8I301 E307I301-R305 HydrophobicContact CB-CG 4.13Å; I301-R305 PolarHBondContact N-O 3.35Å; I301-R305 PolarHBondContact O-N 3.48Å; R305-E307 HydrophobicContact CG-CG 4.48Å; R305-E307 IonicContact CZ-OE1 2.72Å; R305-E307 IonicContact NE-OE1 3.13Å; R305-E307 PolarHBondContact NE-OE1 2.86Å; R305-E307 IonicContact NH2-OE1 2.66Å; R305-E307 PolarHBondContact NH2-OE1 3.4Å
306V96.5Very high95.9Very high93 Ų9392.8 Ų92.856%0.56448%0.482SS*.EExtended strand (participates in β ladder)trans-102.2119.8171.5-1790000107.1C298 F300C298-V306 HydrophobicContact CB-CG1 3.94Å; F300-V306 HydrophobicContact CD2-CG2 4.03Å
307E97Very high95.8Very high90 Ų9094.5 Ų94.542%0.42149%0.489SS..EExtended strand (participates in β ladder)trans-104.2128.9171.1-72.6-176-167.600109C298 K299 I301 R305C298-E307 CarbonylContact C-O 3.55Å; C298-E307 WeakPolarHBondContact CA-O 3.09Å; K299-E307 PolarHBondContact N-O 3.02Å; K299-E307 PolarHBondContact O-N 3.46Å; I301-E307 HydrophobicContact CD1-CB 4.21Å; I301-E307 HydrophobicContact CD1-CG 3.8Å; I301-E307 WeakPolarHBondContact CD1-OE1 3.33Å; I301-E307 WeakPolarHBondContact CD1-OE2 3.1Å; R305-E307 HydrophobicContact CG-CG 4.48Å; R305-E307 IonicContact CZ-OE1 2.72Å; R305-E307 IonicContact NE-OE1 3.13Å; R305-E307 PolarHBondContact NE-OE1 2.86Å; R305-E307 IonicContact NH2-OE1 2.66Å; R305-E307 PolarHBondContact NH2-OE1 3.4Å
308C98Very high95.9Very high45 Ų4589.9 Ų89.930%0.30446%0.464SS..EExtended strand (participates in β ladder)trans-125.3144.2178.9-56.30000109.8K295 C298K295-C308 HydrophobicContact CB-CB 4.03Å; K295-C308 HydrophobicContact CD-CB 4.17Å; K295-C308 HydrophobicContact CG-CB 4.47Å; C298-C308 HydrophobicContact CB-CB 4.08Å; C298-C308 WeakPolarHBondContact CB-SG 3.26Å; C298-C308 WeakPolarHBondContact SG-CB 3.3Å; C298-C308 CovalentContact SG-SG 2.04Å; C298-C308 PolarHBondContact SG-SG 3.2Å
309L97.8Very high95.8Very high109 Ų10988.3 Ų88.357%0.57145%0.452SS*.EExtended strand (participates in β ladder)trans-75.1154.5166.7-60177.7000109.8C296 N297C296-L309 PolarHBondContact N-O 2.85Å; C296-L309 PolarHBondContact O-N 2.85Å; C296-L309 PolarHBondContact SG-O 2.99Å; N297-L309 HydrophobicContact CB-CD1 4.1Å; N297-L309 HydrophobicContact CB-CG 4.43Å
310T98Very high95.9Very high85 Ų8581 Ų8152%0.52142%0.421SS..EExtended strand (participates in β ladder)trans-96107.9168.9-54.60000107.5Y293 K295Y293-T310 HydrophobicContact CD1-CG2 4.19Å; K295-T310 PolarHBondContact NZ-OG1 2.71Å
311C98Very high95.9Very high37 Ų3778.6 Ų78.625%0.2541%0.41CS..EExtended strand (participates in β ladder)trans-92.6160.9174.3-75.20000110.7Y293 F294 C296Y293-C311 WeakPolarHBondContact CA-O 3.49Å; F294-C311 HydrophobicContact CD1-CB 4.25Å; F294-C311 HydrophobicContact CE1-CB 3.75Å; F294-C311 HydrophobicContact CE2-CB 4.19Å; F294-C311 HydrophobicContact CZ-CB 3.72Å; F294-C311 PolarHBondContact N-O 2.81Å; F294-C311 PolarHBondContact O-N 2.77Å; C296-C311 HydrophobicContact CB-CB 3.66Å; C296-C311 WeakPolarHBondContact CB-SG 3.26Å; C296-C311 WeakPolarHBondContact SG-CB 3.41Å; C296-C311 PolarHBondContact SG-N 2.03Å; C296-C311 VanDerWaalsContact SG-N 3.44Å; C296-C311 CovalentContact SG-SG 2Å; C296-C311 PolarHBondContact SG-SG 2.91Å
312T97.4Very high95.8Very high71 Ų7179 Ų7944%0.43642%0.422SS..EExtended strand (participates in β ladder)trans-124.6137.417164.10000110.6Q291 R292 Y293Q291-T312 HydrophobicContact CG-CG2 4.17Å; Q291-T312 VanDerWaalsContact NE2-CB 3.28Å; Q291-T312 PolarHBondContact NE2-OG1 3.13Å; Q291-T312 VanDerWaalsContact NE2-OG1 3.11Å; R292-T312 VanDerWaalsContact O-CA 3.31Å; R292-T312 WeakPolarHBondContact O-CA 3.42Å; Y293-T312 HydrophobicContact CD1-CG2 3.38Å; Y293-T312 HydrophobicContact CE1-CG2 3.33Å; Y293-T312 HydrophobicContact CG-CG2 4.24Å
313E97Very high95.4Very high73 Ų7371.2 Ų71.234%0.34140%0.395SS..EExtended strand (participates in β ladder)trans-123.4149.4168.558.9177.8-167.900109.7Q291 R292 F294 V315Q291-E313 CarbonylContact C-O 3.59Å; Q291-E313 WeakPolarHBondContact CA-O 3.49Å; R292-E313 HydrophobicContact CB-CG 4.04Å; R292-E313 WeakPolarHBondContact CD-OE1 3.46Å; R292-E313 PolarHBondContact N-O 2.9Å; R292-E313 IonicContact NH1-OE1 2.98Å; R292-E313 PolarHBondContact O-N 3.16Å; F294-E313 HydrophobicContact CD1-CG 3.99Å; F294-E313 HydrophobicContact CE1-CB 3.96Å; F294-E313 HydrophobicContact CE1-CG 3.76Å; E313-V315 HydrophobicContact CG-CG1 3.93Å
314I96.6Very high94.7Very high119 Ų11970.7 Ų70.761%0.6140%0.397SS*.EExtended strand (participates in β ladder)trans-94.5119.7173.2-63.4179.4000107.2R289R289-I314 VanDerWaalsContact CD-CG2 3.42Å; R289-I314 HydrophobicContact CG-CG2 3.18Å
315V96.1Very high93.7Very high40 Ų4071.1 Ų71.124%0.24239%0.392CS..EExtended strand (participates in β ladder)trans-122.6141-179.7-65.10000110.8V290 R292 E313V290-V315 HydrophobicContact CG2-CG2 3.71Å; V290-V315 PolarHBondContact N-O 2.94Å; V290-V315 PolarHBondContact O-N 2.88Å; R292-V315 HydrophobicContact CB-CG2 3.95Å; E313-V315 HydrophobicContact CG-CG1 3.93Å
316D95.9Very high91.8Very high62 Ų6267.9 Ų67.933%0.33239%0.388SS..EExtended strand (participates in β ladder)trans-89.4116.6174.4-68.6-21.9000108.9T287 R289T287-D316 HydrophobicContact CG2-CB 3.91Å; R289-D316 WeakPolarHBondContact CB-OD1 3.39Å; R289-D316 WeakPolarHBondContact CG-OD1 3.04Å; R289-D316 IonicContact CZ-OD1 3.42Å; R289-D316 IonicContact CZ-OD2 3.67Å; R289-D316 IonicContact NE-OD1 2.84Å; R289-D316 PolarHBondContact NE-OD1 3.48Å; R289-D316 IonicContact NE-OD2 3.65Å; R289-D316 IonicContact NH2-OD1 2.66Å; R289-D316 PolarHBondContact NH2-OD1 2.72Å; R289-D316 IonicContact NH2-OD2 3.15Å; R289-D316 PolarHBondContact NH2-OD2 3.23Å
317I96.6Very high89.2Confident49 Ų4967.9 Ų67.925%0.25139%0.392SS..EExtended strand (participates in β ladder)trans-98.9121.2174.4-63.6-176.9000108.5Q265 T288 V290Q265-I317 HydrophobicContact CG-CG2 4.02Å; T288-I317 PolarHBondContact N-O 3.1Å; T288-I317 PolarHBondContact O-N 2.8Å; T288-I317 PolarHBondContact OG1-O 2.02Å; V290-I317 HydrophobicContact CG1-CD1 4.47Å; V290-I317 HydrophobicContact CG2-CD1 3.4Å; V290-I317 HydrophobicContact CG2-CG1 3.78Å
318H97.6Very high86.5Confident19 Ų1968.9 Ų68.99%0.08840%0.4CS..EExtended strand (participates in β ladder)trans-97.8128177-51.9-63.6000110.6Q265 C266 Y285 D286 T287Q265-H318 VanDerWaalsContact CA-O 3.28Å; Q265-H318 WeakPolarHBondContact CA-O 3.41Å; C266-H318 PolarHBondContact N-O 2.85Å; Y285-H318 HydrophobicContact CD2-CB 3.74Å; Y285-H318 AromaticContact CD2-CG 3.95Å; Y285-H318 AromaticContact CD2-ND1 3.76Å; Y285-H318 HydrophobicContact CE2-CB 4.29Å; Y285-H318 AromaticContact CE2-ND1 3.63Å; Y285-H318 HydrophobicContact CG-CB 4.32Å; D286-H318 CarbonylContact O-C 3.58Å; D286-H318 VanDerWaalsContact O-CA 3.31Å; D286-H318 WeakPolarHBondContact O-CA 3.37Å; T287-H318 WeakPolarHBondContact CG2-ND1 3.49Å; T287-H318 PolarHBondContact OG1-ND1 2.04Å
319T97.1Very high84.2Confident37 Ų3779 Ų7923%0.22743%0.432CS..EExtended strand (participates in β ladder)trans-127.5128.2-176.6-550000110.7G263 R264 Y285 D286 K321G263-T319 VanDerWaalsContact C-CG2 3.42Å; G263-T319 WeakPolarHBondContact O-CG2 3.47Å; R264-T319 CarbonylContact O-C 3.57Å; R264-T319 WeakPolarHBondContact O-CA 3.45Å; Y285-T319 CarbonylContact C-O 3.05Å; Y285-T319 WeakPolarHBondContact CA-O 3.47Å; Y285-T319 VanDerWaalsContact CB-O 3.3Å; Y285-T319 WeakPolarHBondContact CB-O 3.31Å; D286-T319 PolarHBondContact N-O 2.66Å; D286-T319 PolarHBondContact O-N 3.13Å; T319-K321 PolarHBondContact O-N 3.01Å
320C97.1Very high81.7Confident3 Ų379.1 Ų79.12%0.0244%0.437CS..EExtended strand (participates in β ladder)trans-63.6133.3-176.6-64.30000112.9T261 G263 R264 C280T261-C320 WeakPolarHBondContact O-CB 3.41Å; G263-C320 PolarHBondContact N-O 2.79Å; R264-C320 PolarHBondContact O-N 3.02Å; R264-C320 PolarHBondContact O-SG 3.39Å; R264-C320 VanDerWaalsContact O-SG 3.41Å; C280-C320 WeakPolarHBondContact CA-SG 3.34Å; C280-C320 HydrophobicContact CB-CB 3.58Å; C280-C320 WeakPolarHBondContact CB-SG 3.34Å; C280-C320 PolarHBondContact N-SG 3.32Å; C280-C320 VanDerWaalsContact N-SG 3.43Å; C280-C320 WeakPolarHBondContact SG-CA 3.03Å; C280-C320 WeakPolarHBondContact SG-CB 3.04Å; C280-C320 CovalentContact SG-SG 2.04Å; C280-C320 PolarHBondContact SG-SG 3.18Å
321K96.2Very high78.8Confident84 Ų8479.2 Ų79.237%0.36546%0.456SS..PPolyproline II helixtrans-69.7150.1178.1-72176.4173.5-179.20112.1R283 G284 D286 T319R283-K321 PolarHBondContact NE-O 3.33Å; G284-K321 PolarHBondContact O-N 3.26Å; D286-K321 VanDerWaalsContact CG-CE 3.45Å; D286-K321 WeakPolarHBondContact OD1-CE 2.83Å; D286-K321 IonicContact OD1-NZ 3.69Å; D286-K321 PolarHBondContact OD1-NZ 2.87Å; T319-K321 PolarHBondContact O-N 3.01Å
322A91.3Very high75.7Confident69 Ų6979.7 Ų79.757%0.5746%0.459SS*.PPolyproline II helixtrans-70.8159.316600000110.7A262 A324A262-A322 HydrophobicContact CB-CB 4.12Å; A322-A324 PolarHBondContact O-N 2.03Å
323K84.8Confident72.8Confident66 Ų6682.1 Ų82.129%0.28747%0.469SS..PPolyproline II helixtrans-63.8129.1173-170176.7178.1-172.30109.3L325 T336K323-L325 PolarHBondContact O-N 3.22Å; K323-T336 VanDerWaalsContact CE-OG1 3.24Å; K323-T336 WeakPolarHBondContact CE-OG1 3.27Å; K323-T336 PolarHBondContact NZ-O 3.21Å; K323-T336 PolarHBondContact NZ-OG1 3.09Å
324A75.8Confident69.8Low80 Ų8087 Ų8766%0.66149%0.485SS*.PPolyproline II helixtrans-60.9120.3176.800000109.6A322 V326A322-A324 PolarHBondContact O-N 2.03Å; A324-V326 PolarHBondContact O-N 2.94Å
325L67.1Low67.1Low117 Ų11784.8 Ų84.861%0.61348%0.48SS*.  trans-73.1108.7168.3-68.2169.8000106.7K323 S327 L333K323-L325 PolarHBondContact O-N 3.22Å; L325-S327 PolarHBondContact O-N 3.12Å; L325-L333 HydrophobicContact CB-CD2 3.9Å; L325-L333 HydrophobicContact CD1-CD2 4.07Å; L325-L333 HydrophobicContact CG-CD2 4.43Å
326V57.1Low64.4Low78 Ų7886.5 Ų86.547%0.47349%0.491SS..  trans-70.7101.3172.6-179.20000107A324 N328 T336A324-V326 PolarHBondContact O-N 2.94Å; V326-N328 PolarHBondContact O-N 2.94Å; V326-N328 VanDerWaalsContact O-N 3.16Å; V326-T336 HydrophobicContact CB-CG2 4.09Å; V326-T336 HydrophobicContact CG2-CG2 3.72Å
327S41.4Very low61.9Low92 Ų9291.5 Ų91.564%0.64351%0.505SS*.BIsolated β-bridgetrans-72101.3167.5179.30000107.9L325L325-S327 PolarHBondContact O-N 3.12Å
328N40.9Very low59Low111 Ų11196.2 Ų96.259%0.59453%0.531SS*.  trans-66.2144.2163.2-120-6.4000108.2V326 T330V326-N328 PolarHBondContact O-N 2.94Å; V326-N328 VanDerWaalsContact O-N 3.16Å; N328-T330 PolarHBondContact O-N 3.21Å
329R47.7Very low56Low257 Ų257104.8 Ų104.897%0.9757%0.569SS**SBendtrans-61.313.6-178.6-79.2-174.8-174.4-179.92.2115.1
330T45.7Very low53.1Low112 Ų112110.9 Ų110.969%0.68760%0.599SS**SBendtrans-124.860.8177.448.90000110.1N328 S332N328-T330 PolarHBondContact O-N 3.21Å; T330-S332 PolarHBondContact O-N 3.28Å
331G38.5Very low50.2Low88 Ų88121.5 Ų121.591%0.90764%0.638SS**SBendtrans50.213.5156.100000120
332S32.8Very low47Very low47 Ų47130 Ų13033%0.32968%0.679SS.*  trans-132.8114.9-174.4-159.60000110.6T330 Y334T330-S332 PolarHBondContact O-N 3.28Å; S332-Y334 PolarHBondContact O-N 3.46Å; S332-Y334 WeakPolarHBondContact OG-CE2 3.42Å
333L35.5Very low44.8Very low121 Ų121133.1 Ų133.163%0.63469%0.685SS**BIsolated β-bridgetrans-75108.9174.2-72.9158.4000108.8L325L325-L333 HydrophobicContact CB-CD2 3.9Å; L325-L333 HydrophobicContact CD1-CD2 4.07Å; L325-L333 HydrophobicContact CG-CD2 4.43Å
334Y33.9Very low42.7Very low176 Ų176136.6 Ų136.669%0.6971%0.705SS**  trans-121.7134.8166.4-70.6-73.3000110.3S332 T336S332-Y334 PolarHBondContact O-N 3.46Å; S332-Y334 WeakPolarHBondContact OG-CE2 3.42Å; Y334-T336 PolarHBondContact O-N 2.8Å
335S40.7Very low40.9Very low72 Ų72139.8 Ų139.850%0.50371%0.708SS.*  trans-67126.9172.9162.20000109.2R337S335-R337 VanDerWaalsContact C-N 3.31Å; S335-R337 PolarHBondContact O-N 3.23Å
336T38.9Very low39.4Very low77 Ų77141.1 Ų141.147%0.47271%0.714SS.*SBendtrans-62.985.7173.843.90000110.8K323 V326 Y334K323-T336 VanDerWaalsContact CE-OG1 3.24Å; K323-T336 WeakPolarHBondContact CE-OG1 3.27Å; K323-T336 PolarHBondContact NZ-O 3.21Å; K323-T336 PolarHBondContact NZ-OG1 3.09Å; V326-T336 HydrophobicContact CB-CG2 4.09Å; V326-T336 HydrophobicContact CG2-CG2 3.72Å; Y334-T336 PolarHBondContact O-N 2.8Å
337R43.4Very low38.2Very low167 Ų167145.1 Ų145.163%0.6373%0.729SS**  trans-1373.5167.1-118.8-176.8179.5168.31.8115.6S335S335-R337 VanDerWaalsContact C-N 3.31Å; S335-R337 PolarHBondContact O-N 3.23Å
338D34.9Very low38Very low148 Ų148148.6 Ų148.679%0.79173%0.734SS**SBendtrans-113.523.8-175.4-68.5-30.5000115.9
339F35Very low37.8Very low199 Ų199151.3 Ų151.387%0.87374%0.744SS**  trans-129.665.5176.4-91.4-85.1000113.6
340L37.2Very low37.1Very low164 Ų164143.2 Ų143.286%0.85973%0.727SS**SBendtrans-141.383.2148.4-80.1173.4000106.1
341R36.5Very low36.4Very low226 Ų226145.8 Ų145.885%0.85373%0.73SS**  74.995.5100.5-79.1-171.8179-156.6-0.3113.7
342H29.2Very low36.2Very low264 Ų264151 Ų151100%1.22271%0.714SS**  -63.40127.4-80.6-35000110.8

Retrieved 342 of 342 residues in 233.5 ms (Link to these results)

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