A0A3Q0KBP7_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KBP7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 262 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
1M43.6Very low67.6Low228 Ų228114.5 Ų114.5100%1.12362%0.615SS**  0122.40-77.3175.3160.400108T3M1-T3 PolarHBondContact O-N 3.5Å
2K42.6Very low69.3Low219 Ų219107.8 Ų107.895%0.95258%0.575SS**  trans-67.298.3176.2-74.8-177.2177.1-179.70108.4G4K2-G4 PolarHBondContact O-N 3.08Å
3T48.3Very low70.8Confident137 Ų137106.7 Ų106.784%0.8456%0.564SS**  trans-75.859.8172.244.20000109.6M1 K5M1-T3 PolarHBondContact O-N 3.5Å; T3-K5 PolarHBondContact O-N 3.13Å
4G62.8Low72Confident54 Ų54103.9 Ų103.956%0.55754%0.543SS*.  trans-63.7126.4162.600000107.5K2 V6K2-G4 PolarHBondContact O-N 3.08Å; G4-V6 PolarHBondContact O-N 3.19Å
5K71Confident73.1Confident211 Ų21197 Ų9792%0.91751%0.507SS*.  trans-56.4105.7169.9-78.2179.3177.8175.80107.3T3 E7T3-K5 PolarHBondContact O-N 3.13Å; K5-E7 PolarHBondContact O-N 3.32Å; K5-E7 VanDerWaalsContact O-N 3.14Å
6V74Confident73.9Confident57 Ų5793.6 Ų93.635%0.34550%0.497SS..  trans-71110.4176.5178.30000107G4 W12 E25G4-V6 PolarHBondContact O-N 3.19Å; V6-W12 HydrophobicContact CB-CZ2 4.31Å; V6-W12 HydrophobicContact CG1-CH2 4.38Å; V6-W12 HydrophobicContact CG1-CZ2 4.14Å; V6-W12 WeakPolarHBondContact O-CZ2 3.46Å; V6-E25 HydrophobicContact CG1-CB 3.95Å; V6-E25 HydrophobicContact CG1-CG 4.01Å; V6-E25 HydrophobicContact CG2-CB 4.34Å
7E77.9Confident74.6Confident181 Ų18190.9 Ų90.985%0.84649%0.485SS*.  trans-89.8126.1176.3-164.6170.1-166.400109.4K5K5-E7 PolarHBondContact O-N 3.32Å; K5-E7 VanDerWaalsContact O-N 3.14Å
8C79.2Confident75.2Confident9 Ų990.2 Ų90.26%0.06148%0.482CS..  trans-95.4117.8173.6-148.40000107.7R10 G11 W12 C28C8-R10 PolarHBondContact O-N 2.91Å; C8-G11 PolarHBondContact O-N 2.88Å; C8-W12 HydrophobicContact CB-CD2 4.32Å; C8-W12 HydrophobicContact CB-CZ2 4.37Å; C8-C28 VanDerWaalsContact CA-SG 3.59Å; C8-C28 HydrophobicContact CB-CB 4.32Å; C8-C28 WeakPolarHBondContact CB-SG 2.97Å; C8-C28 WeakPolarHBondContact SG-CB 3.18Å; C8-C28 CovalentContact SG-SG 2.06Å; C8-C28 PolarHBondContact SG-SG 3.37Å
9S79.6Confident75.7Confident108 Ų10891.5 Ų91.576%0.75549%0.488SS*.THydrogen-bonded Turntrans-56.8-24.9-17655.30000114.3
10R79.9Confident76.1Confident30 Ų3094.3 Ų94.311%0.11350%0.502CS..THydrogen-bonded Turntrans-92.8-11.8177.3-57.6-175.6102.7168.11.1113.4C8 Y14 I37 S41 N42 T43C8-R10 PolarHBondContact O-N 2.91Å; R10-Y14 WeakPolarHBondContact O-CD2 3.28Å; R10-Y14 WeakPolarHBondContact O-CE2 3.06Å; R10-I37 HydrophobicContact CB-CD1 4.33Å; R10-S41 PolarHBondContact NH2-O 3.33Å; R10-N42 PolarHBondContact NH1-OD1 3.48Å; R10-T43 WeakPolarHBondContact CD-OG1 3.49Å; R10-T43 PolarHBondContact NE-OG1 3.47Å; R10-T43 PolarHBondContact NH1-OG1 2.93Å; R10-T43 VanDerWaalsContact NH2-N 3.19Å
11G84.9Confident76.5Confident25 Ų2592.6 Ų92.626%0.25851%0.507SS..  trans85.9152.3-167.800000112.8C8 Q13C8-G11 PolarHBondContact O-N 2.88Å; G11-Q13 VanDerWaalsContact C-N 3.31Å; G11-Q13 PolarHBondContact O-N 3.12Å
12W88.2Confident78.5Confident34 Ų3485.1 Ų85.113%0.12948%0.482CS..G310 helixtrans-69.5-25.9-175.2-72.2100000114V6 C8 Y14 T15 N18 K23 M27V6-W12 HydrophobicContact CB-CZ2 4.31Å; V6-W12 HydrophobicContact CG1-CH2 4.38Å; V6-W12 HydrophobicContact CG1-CZ2 4.14Å; V6-W12 WeakPolarHBondContact O-CZ2 3.46Å; C8-W12 HydrophobicContact CB-CD2 4.32Å; C8-W12 HydrophobicContact CB-CZ2 4.37Å; W12-Y14 PolarHBondContact O-N 3.03Å; W12-Y14 VanDerWaalsContact O-N 3.08Å; W12-T15 HydrophobicContact CE3-CG2 3.94Å; W12-T15 HydrophobicContact CZ3-CG2 4.34Å; W12-T15 WeakPolarHBondContact O-CB 3.4Å; W12-T15 PolarHBondContact O-N 3.3Å; W12-T15 PolarHBondContact O-OG1 3.48Å; W12-N18 CarbonylContact C-O 3.59Å; W12-N18 CarbonylContact O-C 3.57Å; W12-N18 VanDerWaalsContact O-O 3.05Å; W12-K23 HydrophobicContact CD2-CB 4.14Å; W12-K23 HydrophobicContact CD2-CD 3.69Å; W12-K23 HydrophobicContact CD2-CG 3.66Å; W12-K23 HydrophobicContact CE3-CB 4.01Å; W12-K23 HydrophobicContact CE3-CD 4.23Å; W12-K23 HydrophobicContact CE3-CG 3.66Å; W12-K23 HydrophobicContact CG-CD 3.88Å; W12-K23 HydrophobicContact CG-CG 4.28Å; W12-K23 HydrophobicContact CH2-CB 3.49Å; W12-K23 VanDerWaalsContact CH2-CB 3.49Å; W12-K23 HydrophobicContact CH2-CG 4.1Å; W12-K23 HydrophobicContact CZ2-CB 3.62Å; W12-K23 HydrophobicContact CZ2-CD 4.25Å; W12-K23 HydrophobicContact CZ2-CG 4.08Å; W12-K23 HydrophobicContact CZ3-CB 3.68Å; W12-K23 HydrophobicContact CZ3-CG 3.88Å; W12-M27 HydrophobicContact CZ3-CB 4.25Å; W12-M27 HydrophobicContact CZ3-SD 4.27Å
13Q88Confident80.6Confident94 Ų9480 Ų8044%0.43946%0.459SS..G310 helixtrans-57-25.317957.8-171.8-9.900114.1G11 N18 L19G11-Q13 VanDerWaalsContact C-N 3.31Å; G11-Q13 PolarHBondContact O-N 3.12Å; Q13-N18 VanDerWaalsContact CA-OD1 3.25Å; Q13-N18 WeakPolarHBondContact CA-OD1 3.45Å; Q13-N18 PolarHBondContact O-OD1 3.03Å; Q13-L19 HydrophobicContact CB-CD2 4.11Å; Q13-L19 HydrophobicContact CB-CG 4.37Å
14Y87.5Confident82.5Confident68 Ų6880.5 Ų80.527%0.26745%0.446SS..G310 helixtrans-10117.9178.3-49.8-66.5000113.3R10 W12 R35 I37R10-Y14 WeakPolarHBondContact O-CD2 3.28Å; R10-Y14 WeakPolarHBondContact O-CE2 3.06Å; W12-Y14 PolarHBondContact O-N 3.03Å; W12-Y14 VanDerWaalsContact O-N 3.08Å; Y14-R35 PolarHBondContact O-N 3.06Å; Y14-I37 HydrophobicContact CD1-CB 4.49Å; Y14-I37 HydrophobicContact CD1-CD1 4.37Å; Y14-I37 HydrophobicContact CD1-CG1 3.63Å; Y14-I37 HydrophobicContact CD2-CD1 3.44Å; Y14-I37 VanDerWaalsContact CD2-CD1 3.44Å; Y14-I37 HydrophobicContact CD2-CG1 3.65Å; Y14-I37 HydrophobicContact CE1-CB 4.32Å; Y14-I37 HydrophobicContact CE1-CD1 4.48Å; Y14-I37 HydrophobicContact CE1-CG1 3.82Å; Y14-I37 HydrophobicContact CE1-CG2 4.06Å; Y14-I37 HydrophobicContact CE2-CD1 3.59Å; Y14-I37 HydrophobicContact CE2-CG1 3.85Å; Y14-I37 HydrophobicContact CE2-CG2 4.37Å; Y14-I37 HydrophobicContact CG-CD1 3.85Å; Y14-I37 HydrophobicContact CG-CG1 3.52Å
15T88.4Confident83.7Confident0 Ų082.9 Ų82.90%044%0.442CS..BIsolated β-bridgetrans-96.6167.6170.2670000110.9W12 T17 N18 M27 L33 R35W12-T15 HydrophobicContact CE3-CG2 3.94Å; W12-T15 HydrophobicContact CZ3-CG2 4.34Å; W12-T15 WeakPolarHBondContact O-CB 3.4Å; W12-T15 PolarHBondContact O-N 3.3Å; W12-T15 PolarHBondContact O-OG1 3.48Å; T15-T17 PolarHBondContact O-N 3.16Å; T15-N18 PolarHBondContact O-N 2.91Å; T15-M27 HydrophobicContact CG2-CB 4.47Å; T15-L33 CarbonylContact C-O 3.6Å; T15-L33 WeakPolarHBondContact CA-O 3.39Å; T15-R35 PolarHBondContact O-NH1 3.31Å
16A86.8Confident84.5Confident43 Ų4375.6 Ų75.636%0.35542%0.418SS..THydrogen-bonded Turntrans-54.8-34.3-179.700000113.5M27 L33 R35A16-M27 HydrophobicContact CB-CE 3.99Å; A16-L33 HydrophobicContact CB-CB 4.22Å; A16-L33 HydrophobicContact CB-CD2 3.93Å; A16-L33 PolarHBondContact N-O 2.82Å; A16-R35 PolarHBondContact O-NH1 2.9Å
17T85.2Confident85.2Confident48 Ų4873 Ų7329%0.29440%0.402SS..THydrogen-bonded Turntrans-90.2-7.2-179.862.20000113.3T15 L20 M27T15-T17 PolarHBondContact O-N 3.16Å; T17-L20 CarbonylContact C-O 3.43Å; T17-L20 WeakPolarHBondContact CB-O 2.88Å; T17-L20 PolarHBondContact O-N 3.32Å; T17-L20 PolarHBondContact OG1-O 2.83Å; T17-M27 HydrophobicContact CG2-CE 3.49Å; T17-M27 VanDerWaalsContact CG2-CE 3.49Å; T17-M27 HydrophobicContact CG2-SD 4.1Å; T17-M27 VanDerWaalsContact OG1-CE 3.27Å; T17-M27 WeakPolarHBondContact OG1-CE 3.32Å
18N85.2Confident85.5Confident78 Ų7865.4 Ų65.442%0.41737%0.369SS..THydrogen-bonded Turntrans58.3-139.1-176.6-158.6-18.8000110.7W12 Q13 T15W12-N18 CarbonylContact C-O 3.59Å; W12-N18 CarbonylContact O-C 3.57Å; W12-N18 VanDerWaalsContact O-O 3.05Å; Q13-N18 VanDerWaalsContact CA-OD1 3.25Å; Q13-N18 WeakPolarHBondContact CA-OD1 3.45Å; Q13-N18 PolarHBondContact O-OD1 3.03Å; T15-N18 PolarHBondContact O-N 2.91Å
19L84.8Confident85.8Confident115 Ų11571.2 Ų71.260%0.60239%0.393SS*.THydrogen-bonded Turntrans-75.3-22.3179.5-65.7173.8000114.1Q13Q13-L19 HydrophobicContact CB-CD2 4.11Å; Q13-L19 HydrophobicContact CB-CG 4.37Å
20L83.2Confident86.3Confident146 Ų14669.3 Ų69.376%0.76438%0.375SS*.SBendtrans-96.1159.5-175.7-74.6145.5000111.2T17T17-L20 CarbonylContact C-O 3.43Å; T17-L20 WeakPolarHBondContact CB-O 2.88Å; T17-L20 PolarHBondContact O-N 3.32Å; T17-L20 PolarHBondContact OG1-O 2.83Å
21G85.1Confident86.8Confident60 Ų6070.6 Ų70.662%0.61939%0.386SS*.SBendtrans86.8-178.417400000116.3K23G21-K23 PolarHBondContact O-N 3.49Å
22A86.3Confident87Confident71 Ų7176.8 Ų76.859%0.58741%0.412SS*.  trans-75.3116.8-173.400000112.2R24A22-R24 PolarHBondContact O-N 2.94Å
23K86.6Confident87Confident110 Ų11077.4 Ų77.448%0.47842%0.418SS..  trans-81.6104-179.4-69.7178.2179174.10111W12 G21W12-K23 HydrophobicContact CD2-CB 4.14Å; W12-K23 HydrophobicContact CD2-CD 3.69Å; W12-K23 HydrophobicContact CD2-CG 3.66Å; W12-K23 HydrophobicContact CE3-CB 4.01Å; W12-K23 HydrophobicContact CE3-CD 4.23Å; W12-K23 HydrophobicContact CE3-CG 3.66Å; W12-K23 HydrophobicContact CG-CD 3.88Å; W12-K23 HydrophobicContact CG-CG 4.28Å; W12-K23 HydrophobicContact CH2-CB 3.49Å; W12-K23 VanDerWaalsContact CH2-CB 3.49Å; W12-K23 HydrophobicContact CH2-CG 4.1Å; W12-K23 HydrophobicContact CZ2-CB 3.62Å; W12-K23 HydrophobicContact CZ2-CD 4.25Å; W12-K23 HydrophobicContact CZ2-CG 4.08Å; W12-K23 HydrophobicContact CZ3-CB 3.68Å; W12-K23 HydrophobicContact CZ3-CG 3.88Å; G21-K23 PolarHBondContact O-N 3.49Å
24R88.3Confident87Confident148 Ų14873.9 Ų73.956%0.55840%0.401SS*.  trans-111.2143-178.9-64.3177.1-72.9169.2-2.8111.3A22 S26 M27A22-R24 PolarHBondContact O-N 2.94Å; R24-S26 PolarHBondContact O-N 3.06Å; R24-M27 HydrophobicContact CB-CG 4.21Å; R24-M27 VanDerWaalsContact O-CB 3.3Å; R24-M27 WeakPolarHBondContact O-CB 3.23Å; R24-M27 PolarHBondContact O-N 2.75Å
25E87.1Confident87Confident104 Ų10477 Ų7749%0.48641%0.412SS..Hα-helixtrans-59.3-33.7177.5-164.4-168177.100112.9V6 M27 C28 K29V6-E25 HydrophobicContact CG1-CB 3.95Å; V6-E25 HydrophobicContact CG1-CG 4.01Å; V6-E25 HydrophobicContact CG2-CB 4.34Å; E25-M27 PolarHBondContact O-N 2.94Å; E25-M27 VanDerWaalsContact O-N 3.16Å; E25-C28 PolarHBondContact O-N 3.39Å; E25-K29 PolarHBondContact O-N 3.08Å; E25-K29 WeakPolarHBondContact OE1-CE 3.16Å; E25-K29 IonicContact OE1-NZ 3.78Å; E25-K29 PolarHBondContact OE1-NZ 3.46Å; E25-K29 IonicContact OE2-NZ 3.59Å; E25-K29 PolarHBondContact OE2-NZ 3.15Å
26S88.3Confident87Confident59 Ų5981.8 Ų81.841%0.41345%0.446SS..Hα-helixtrans-58.4-27.7176.256.90000113.2R24 C28 K29 N30R24-S26 PolarHBondContact O-N 3.06Å; S26-C28 VanDerWaalsContact C-N 3.3Å; S26-C28 PolarHBondContact O-N 2.75Å; S26-K29 PolarHBondContact O-N 3.25Å; S26-N30 WeakPolarHBondContact O-CB 3.42Å; S26-N30 PolarHBondContact O-N 3.22Å
27M87.7Confident87.1Confident1 Ų181 Ų811%0.00544%0.436CS..Hα-helixtrans-67.4-32.2177.8-63.2-174.171.500112.4W12 T15 A16 T17 R24 E25 L33 Q34W12-M27 HydrophobicContact CZ3-CB 4.25Å; W12-M27 HydrophobicContact CZ3-SD 4.27Å; T15-M27 HydrophobicContact CG2-CB 4.47Å; A16-M27 HydrophobicContact CB-CE 3.99Å; T17-M27 HydrophobicContact CG2-CE 3.49Å; T17-M27 VanDerWaalsContact CG2-CE 3.49Å; T17-M27 HydrophobicContact CG2-SD 4.1Å; T17-M27 VanDerWaalsContact OG1-CE 3.27Å; T17-M27 WeakPolarHBondContact OG1-CE 3.32Å; R24-M27 HydrophobicContact CB-CG 4.21Å; R24-M27 VanDerWaalsContact O-CB 3.3Å; R24-M27 WeakPolarHBondContact O-CB 3.23Å; R24-M27 PolarHBondContact O-N 2.75Å; E25-M27 PolarHBondContact O-N 2.94Å; E25-M27 VanDerWaalsContact O-N 3.16Å; M27-L33 HydrophobicContact CB-CD1 4.49Å; M27-L33 HydrophobicContact CG-CD1 4.12Å; M27-Q34 PolarHBondContact O-NE2 3.22Å
28C84Confident87.3Confident22 Ų2287.2 Ų87.215%0.14947%0.466CS..Hα-helixtrans-84.4-15.6177.8-57.30000112.8C8 E25 S26 C45C8-C28 VanDerWaalsContact CA-SG 3.59Å; C8-C28 HydrophobicContact CB-CB 4.32Å; C8-C28 WeakPolarHBondContact CB-SG 2.97Å; C8-C28 WeakPolarHBondContact SG-CB 3.18Å; C8-C28 CovalentContact SG-SG 2.06Å; C8-C28 PolarHBondContact SG-SG 3.37Å; E25-C28 PolarHBondContact O-N 3.39Å; S26-C28 VanDerWaalsContact C-N 3.3Å; S26-C28 PolarHBondContact O-N 2.75Å; C28-C45 VanDerWaalsContact O-CB 3.23Å; C28-C45 WeakPolarHBondContact O-CB 3.26Å; C28-C45 PolarHBondContact O-SG 2.99Å
29K87.5Confident87.5Confident131 Ų13187.2 Ų87.257%0.5749%0.485SS*.Hα-helixtrans-95.7-28.8178.6-68-179.8-178.4168.10113.6E25 S26 C45E25-K29 PolarHBondContact O-N 3.08Å; E25-K29 WeakPolarHBondContact OE1-CE 3.16Å; E25-K29 IonicContact OE1-NZ 3.78Å; E25-K29 PolarHBondContact OE1-NZ 3.46Å; E25-K29 IonicContact OE2-NZ 3.59Å; E25-K29 PolarHBondContact OE2-NZ 3.15Å; S26-K29 PolarHBondContact O-N 3.25Å; K29-C45 VanDerWaalsContact O-CB 3.25Å; K29-C45 WeakPolarHBondContact O-CB 3.3Å; K29-C45 PolarHBondContact O-SG 3.4Å
30N89.2Confident87.7Confident69 Ų6991 Ų9137%0.36949%0.491SS..  trans-92.1117.4-177.4-171.6-14.9000111.2S26 L32 L33S26-N30 WeakPolarHBondContact O-CB 3.42Å; S26-N30 PolarHBondContact O-N 3.22Å; N30-L32 PolarHBondContact O-N 3.32Å; N30-L32 WeakPolarHBondContact OD1-CB 3.43Å; N30-L32 PolarHBondContact OD1-N 3.22Å; N30-L33 HydrophobicContact CB-CB 4.45Å; N30-L33 HydrophobicContact CB-CD1 4.05Å; N30-L33 HydrophobicContact CB-CG 4.14Å; N30-L33 PolarHBondContact O-N 2.96Å
31V89.4Confident87.9Confident56 Ų5689 Ų8934%0.33949%0.489SS..G310 helixtrans-58.2-34.8-179.7-1760000112.1L33 Q34 H44 C45V31-L33 PolarHBondContact O-N 2.86Å; V31-Q34 PolarHBondContact O-N 3.03Å; V31-Q34 VanDerWaalsContact O-N 3.14Å; V31-H44 HydrophobicContact CG2-CB 4.19Å; V31-C45 HydrophobicContact CG2-CB 4.46Å
32L89.6Confident87.8Confident155 Ų15589 Ų8981%0.81248%0.475SS*.G310 helixtrans-67.1-22-179.5-59.9177.3000113N30N30-L32 PolarHBondContact O-N 3.32Å; N30-L32 WeakPolarHBondContact OD1-CB 3.43Å; N30-L32 PolarHBondContact OD1-N 3.22Å
33L89.1Confident87.5Confident48 Ų4887.5 Ų87.525%0.25146%0.458SS..G310 helixtrans-95.31.9179.5-58.6179.6000112.4T15 A16 M27 N30 V31T15-L33 CarbonylContact C-O 3.6Å; T15-L33 WeakPolarHBondContact CA-O 3.39Å; A16-L33 HydrophobicContact CB-CB 4.22Å; A16-L33 HydrophobicContact CB-CD2 3.93Å; A16-L33 PolarHBondContact N-O 2.82Å; M27-L33 HydrophobicContact CB-CD1 4.49Å; M27-L33 HydrophobicContact CG-CD1 4.12Å; N30-L33 HydrophobicContact CB-CB 4.45Å; N30-L33 HydrophobicContact CB-CD1 4.05Å; N30-L33 HydrophobicContact CB-CG 4.14Å; N30-L33 PolarHBondContact O-N 2.96Å; V31-L33 PolarHBondContact O-N 2.86Å
34Q87Confident87.5Confident20 Ų2087.2 Ų87.29%0.09346%0.458CS..BIsolated β-bridgetrans-99.1130.4177.1-66.2-68.7-56.400110.3M27 V31 C45M27-Q34 PolarHBondContact O-NE2 3.22Å; V31-Q34 PolarHBondContact O-N 3.03Å; V31-Q34 VanDerWaalsContact O-N 3.14Å; Q34-C45 WeakPolarHBondContact CG-SG 3.48Å
35R88.4Confident87.2Confident132 Ų13281.5 Ų81.550%0.49844%0.441SS..PPolyproline II helixtrans-85.8147.7169.8-68.2-176.1145.9932.2110.1Y14 T15 A16Y14-R35 PolarHBondContact O-N 3.06Å; T15-R35 PolarHBondContact O-NH1 3.31Å; A16-R35 PolarHBondContact O-NH1 2.9Å
36S88.7Confident87.1Confident102 Ų10282.4 Ų82.471%0.71345%0.448SS*.PPolyproline II helixtrans-67.1138.8170.151.10000110.4
37I88.3Confident86.7Confident27 Ų2789.2 Ų89.214%0.13847%0.471CS..PPolyproline II helixtrans-96.9123.6173.7-55.6175000106.9R10 Y14 G39 R40R10-I37 HydrophobicContact CB-CD1 4.33Å; Y14-I37 HydrophobicContact CD1-CB 4.49Å; Y14-I37 HydrophobicContact CD1-CD1 4.37Å; Y14-I37 HydrophobicContact CD1-CG1 3.63Å; Y14-I37 HydrophobicContact CD2-CD1 3.44Å; Y14-I37 VanDerWaalsContact CD2-CD1 3.44Å; Y14-I37 HydrophobicContact CD2-CG1 3.65Å; Y14-I37 HydrophobicContact CE1-CB 4.32Å; Y14-I37 HydrophobicContact CE1-CD1 4.48Å; Y14-I37 HydrophobicContact CE1-CG1 3.82Å; Y14-I37 HydrophobicContact CE1-CG2 4.06Å; Y14-I37 HydrophobicContact CE2-CD1 3.59Å; Y14-I37 HydrophobicContact CE2-CG1 3.85Å; Y14-I37 HydrophobicContact CE2-CG2 4.37Å; Y14-I37 HydrophobicContact CG-CD1 3.85Å; Y14-I37 HydrophobicContact CG-CG1 3.52Å; I37-G39 PolarHBondContact O-N 3.31Å; I37-R40 HydrophobicContact CB-CB 4.09Å; I37-R40 HydrophobicContact CB-CG 4.41Å; I37-R40 HydrophobicContact CG2-CB 4.16Å; I37-R40 HydrophobicContact CG2-CG 3.93Å; I37-R40 PolarHBondContact O-N 3.18Å; I37-R40 VanDerWaalsContact O-N 3.13Å
38L89.5Confident86.5Confident177 Ų17793.3 Ų93.393%0.92750%0.496SS*.THydrogen-bonded Turntrans-58.8131.5178.1-171.964.8000110R40L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 3.04Å
39G90.4Very high86.7Confident78 Ų7894.6 Ų94.680%0.80450%0.504SS*.THydrogen-bonded Turntrans77.15.8-17900000115.8I37I37-G39 PolarHBondContact O-N 3.31Å
40R87.9Confident86.7Confident196 Ų19693.4 Ų93.474%0.7451%0.509SS*.SBendtrans-128.3145.4175.2-58.9-69.4-172.2172.9-0.2111.1I37 L38I37-R40 HydrophobicContact CB-CB 4.09Å; I37-R40 HydrophobicContact CB-CG 4.41Å; I37-R40 HydrophobicContact CG2-CB 4.16Å; I37-R40 HydrophobicContact CG2-CG 3.93Å; I37-R40 PolarHBondContact O-N 3.18Å; I37-R40 VanDerWaalsContact O-N 3.13Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 3.04Å
41S86.6Confident86.7Confident102 Ų10296 Ų9671%0.71353%0.53SS*.  trans-67.3153.8173.754.90000112R10 T43R10-S41 PolarHBondContact NH2-O 3.33Å; S41-T43 PolarHBondContact O-N 2.95Å
42N83.6Confident86.8Confident61 Ų6199.8 Ų99.833%0.32656%0.556SS.*  trans-73.2124.9173.9-162.4-10000110.4R10 H44R10-N42 PolarHBondContact NH1-OD1 3.48Å; N42-H44 VanDerWaalsContact C-N 3.32Å; N42-H44 PolarHBondContact O-CD2 2.95Å; N42-H44 PolarHBondContact OD1-N 3.43Å; N42-H44 VanDerWaalsContact OD1-N 3.08Å
43T80.7Confident86.9Confident40 Ų4097.5 Ų97.525%0.24554%0.539CS..  trans-84.5-5.5176.961.10000113.2R10 S41 C45 L46R10-T43 WeakPolarHBondContact CD-OG1 3.49Å; R10-T43 PolarHBondContact NE-OG1 3.47Å; R10-T43 PolarHBondContact NH1-OG1 2.93Å; R10-T43 VanDerWaalsContact NH2-N 3.19Å; S41-T43 PolarHBondContact O-N 2.95Å; T43-C45 PolarHBondContact O-N 3.38Å; T43-C45 VanDerWaalsContact O-N 3.09Å; T43-L46 VanDerWaalsContact O-CB 3.3Å; T43-L46 WeakPolarHBondContact O-CB 3.05Å; T43-L46 PolarHBondContact O-N 3.18Å
44H85.4Confident86.9Confident103 Ų10399.7 Ų99.748%0.47756%0.555SS.*THydrogen-bonded Turntrans49.837.1179.8-62.5-81.6000113.8V31 N42 L46V31-H44 HydrophobicContact CG2-CB 4.19Å; N42-H44 VanDerWaalsContact C-N 3.32Å; N42-H44 PolarHBondContact O-CD2 2.95Å; N42-H44 PolarHBondContact OD1-N 3.43Å; N42-H44 VanDerWaalsContact OD1-N 3.08Å; H44-L46 PolarHBondContact O-N 2.88Å
45C83.4Confident87Confident29 Ų29106 Ų10620%0.19658%0.579CS.*THydrogen-bonded Turntrans60.913-177.2-57.50000114.8C28 K29 V31 Q34 T43C28-C45 VanDerWaalsContact O-CB 3.23Å; C28-C45 WeakPolarHBondContact O-CB 3.26Å; C28-C45 PolarHBondContact O-SG 2.99Å; K29-C45 VanDerWaalsContact O-CB 3.25Å; K29-C45 WeakPolarHBondContact O-CB 3.3Å; K29-C45 PolarHBondContact O-SG 3.4Å; V31-C45 HydrophobicContact CG2-CB 4.46Å; Q34-C45 WeakPolarHBondContact CG-SG 3.48Å; T43-C45 PolarHBondContact O-N 3.38Å; T43-C45 VanDerWaalsContact O-N 3.09Å
46L84.3Confident87Confident122 Ų122103 Ų10364%0.63959%0.59SS**  trans-81137.1175.5-59.3174.5000110.1T43 H44 V48T43-L46 VanDerWaalsContact O-CB 3.3Å; T43-L46 WeakPolarHBondContact O-CB 3.05Å; T43-L46 PolarHBondContact O-N 3.18Å; H44-L46 PolarHBondContact O-N 2.88Å; L46-V48 PolarHBondContact O-N 2.97Å
47K80.4Confident86.8Confident203 Ų203106.5 Ų106.588%0.88360%0.598SS**  trans-79.3109.8172.2-67.5-175179.6-176.10108.7
48V82.8Confident86.4Confident87 Ų87112.6 Ų112.653%0.52762%0.624SS.*PPolyproline II helixtrans-80.7133.2173172.70000108.1L46 Y55L46-V48 PolarHBondContact O-N 2.97Å; V48-Y55 HydrophobicContact CG1-CE2 4.41Å; V48-Y55 WeakPolarHBondContact CG1-OH 3.35Å
49P89.1Confident86Confident49 Ų49109.5 Ų109.532%0.31862%0.617SS.*PPolyproline II helixtrans-57.6144.2172.7-23.434.7000111.6F53 Y55P49-F53 HydrophobicContact CB-CB 3.71Å; P49-F53 HydrophobicContact CB-CD1 3.81Å; P49-F53 HydrophobicContact CB-CD2 3.92Å; P49-F53 HydrophobicContact CB-CE1 4.42Å; P49-F53 HydrophobicContact CB-CG 3.53Å; P49-F53 HydrophobicContact CG-CD1 3.79Å; P49-F53 HydrophobicContact CG-CD2 4.2Å; P49-F53 HydrophobicContact CG-CE1 3.92Å; P49-F53 HydrophobicContact CG-CE2 4.32Å; P49-F53 HydrophobicContact CG-CG 3.94Å; P49-F53 HydrophobicContact CG-CZ 4.19Å; P49-Y55 VanDerWaalsContact CD-OH 3.27Å; P49-Y55 WeakPolarHBondContact CD-OH 3.49Å
50P87.2Confident85.5Confident106 Ų106110.8 Ų110.869%0.68861%0.609SS**PPolyproline II helixtrans-68.8149.5178.328-33.1000111.6F53P50-F53 WeakPolarHBondContact O-CB 3.28Å; P50-F53 PolarHBondContact O-N 3.38Å
51P88.8Confident84.9Confident124 Ų124110.5 Ų110.581%0.80561%0.613SS**THydrogen-bonded Turntrans-57.5142.3170.2-23.834.6000111.5
52P91.9Very high84.3Confident135 Ų135111.9 Ų111.988%0.87762%0.617SS**THydrogen-bonded Turncis-97.963.310.838-35.3000114.3
53F91.6Very high84Confident106 Ų106112.8 Ų112.847%0.46563%0.629SS.*  trans-78.4132171.1-178.5-97.2000112.6P49 P50 Y55P49-F53 HydrophobicContact CB-CB 3.71Å; P49-F53 HydrophobicContact CB-CD1 3.81Å; P49-F53 HydrophobicContact CB-CD2 3.92Å; P49-F53 HydrophobicContact CB-CE1 4.42Å; P49-F53 HydrophobicContact CB-CG 3.53Å; P49-F53 HydrophobicContact CG-CD1 3.79Å; P49-F53 HydrophobicContact CG-CD2 4.2Å; P49-F53 HydrophobicContact CG-CE1 3.92Å; P49-F53 HydrophobicContact CG-CE2 4.32Å; P49-F53 HydrophobicContact CG-CG 3.94Å; P49-F53 HydrophobicContact CG-CZ 4.19Å; P50-F53 WeakPolarHBondContact O-CB 3.28Å; P50-F53 PolarHBondContact O-N 3.38Å; F53-Y55 HydrophobicContact CD1-CD1 4.34Å; F53-Y55 AromaticContact CD1-CD2 3.96Å; F53-Y55 HydrophobicContact CD1-CD2 3.96Å; F53-Y55 HydrophobicContact CD1-CE1 4.25Å; F53-Y55 AromaticContact CD1-CE2 3.87Å; F53-Y55 HydrophobicContact CD1-CE2 3.87Å; F53-Y55 HydrophobicContact CD1-CG 4.2Å; F53-Y55 AromaticContact CE1-CD1 3.57Å; F53-Y55 HydrophobicContact CE1-CD1 3.57Å; F53-Y55 AromaticContact CE1-CD2 3.97Å; F53-Y55 HydrophobicContact CE1-CD2 3.97Å; F53-Y55 AromaticContact CE1-CE1 3.65Å; F53-Y55 HydrophobicContact CE1-CE1 3.65Å; F53-Y55 HydrophobicContact CE1-CE2 4.06Å; F53-Y55 AromaticContact CE1-CG 3.73Å; F53-Y55 HydrophobicContact CE1-CG 3.73Å; F53-Y55 AromaticContact CE1-CZ 3.91Å
54T90.1Very high83.9Confident95 Ų95112.7 Ų112.758%0.58364%0.636SS**  trans-107.7121.2174.5-44.90000109.9
55Y88.4Confident83.7Confident152 Ų152113.2 Ų113.260%0.59665%0.646SS**  trans-72154.6173.3-70.7-88.2000111.8V48 P49 F53V48-Y55 HydrophobicContact CG1-CE2 4.41Å; V48-Y55 WeakPolarHBondContact CG1-OH 3.35Å; P49-Y55 VanDerWaalsContact CD-OH 3.27Å; P49-Y55 WeakPolarHBondContact CD-OH 3.49Å; F53-Y55 HydrophobicContact CD1-CD1 4.34Å; F53-Y55 AromaticContact CD1-CD2 3.96Å; F53-Y55 HydrophobicContact CD1-CD2 3.96Å; F53-Y55 HydrophobicContact CD1-CE1 4.25Å; F53-Y55 AromaticContact CD1-CE2 3.87Å; F53-Y55 HydrophobicContact CD1-CE2 3.87Å; F53-Y55 HydrophobicContact CD1-CG 4.2Å; F53-Y55 AromaticContact CE1-CD1 3.57Å; F53-Y55 HydrophobicContact CE1-CD1 3.57Å; F53-Y55 AromaticContact CE1-CD2 3.97Å; F53-Y55 HydrophobicContact CE1-CD2 3.97Å; F53-Y55 AromaticContact CE1-CE1 3.65Å; F53-Y55 HydrophobicContact CE1-CE1 3.65Å; F53-Y55 HydrophobicContact CE1-CE2 4.06Å; F53-Y55 AromaticContact CE1-CG 3.73Å; F53-Y55 HydrophobicContact CE1-CG 3.73Å; F53-Y55 AromaticContact CE1-CZ 3.91Å
56G88.7Confident83.5Confident70 Ų70115.4 Ų115.472%0.72266%0.662SS**SBendtrans111.3-174.8177.800000112.9
57I83.1Confident83.3Confident175 Ų175113.3 Ų113.390%0.89765%0.651SS**  trans-102.9117.4178.3-58.8172.9000107.3
58K81.6Confident83Confident154 Ų154107.7 Ų107.767%0.6764%0.642SS**  trans-78121.7170.3-64.8-174.8-178.7-176.60108.1V60K58-V60 HydrophobicContact CB-CG2 4.1Å; K58-V60 PolarHBondContact O-N 3.01Å
59S79.1Confident82.7Confident113 Ų113109.4 Ų109.479%0.7965%0.648SS**  trans-75.178.9168.9176.50000109.1K61S59-K61 PolarHBondContact O-N 3.5Å
60V80.6Confident81.7Confident105 Ų105113.2 Ų113.264%0.63666%0.662SS**  trans-74.8117.4172.5-177.30000107.8K58 T62K58-V60 HydrophobicContact CB-CG2 4.1Å; K58-V60 PolarHBondContact O-N 3.01Å; V60-T62 VanDerWaalsContact C-N 3.32Å; V60-T62 PolarHBondContact O-N 3.18Å
61K75.5Confident80.9Confident189 Ų189120 Ų12082%0.82267%0.674SS**  trans-75.290.2168.9-64.1-177-178.1-178.80107.3S59 S63S59-K61 PolarHBondContact O-N 3.5Å; K61-S63 PolarHBondContact O-N 3.39Å
62T74.6Confident79.7Confident131 Ų131118.7 Ų118.780%0.80466%0.663SS**  trans-68.7-27.6177.6-50.40000111.6V60V60-T62 VanDerWaalsContact C-N 3.32Å; V60-T62 PolarHBondContact O-N 3.18Å
63S76.1Confident77.9Confident80 Ų80117.8 Ų117.856%0.55965%0.651SS**SBendtrans-121.5142.1-178.6610000112.3K61 D67K61-S63 PolarHBondContact O-N 3.39Å; S63-D67 WeakPolarHBondContact CA-OD2 3.29Å; S63-D67 WeakPolarHBondContact CB-OD2 3.41Å
64G79.3Confident76.2Confident39 Ų39118 Ų11840%0.40266%0.656SS.*  trans-91.6177.5174.200000112.8S66 D67G64-S66 PolarHBondContact O-N 3.33Å; G64-D67 PolarHBondContact N-OD2 2.95Å; G64-D67 PolarHBondContact O-N 3.15Å
65V80.1Confident74.5Confident114 Ų114117.6 Ų117.669%0.69165%0.654SS**Hα-helixtrans-60.7-32.6169.4176.40000110.6D67 A68 L69V65-D67 PolarHBondContact O-N 3.38Å; V65-A68 PolarHBondContact O-N 3.02Å; V65-A68 VanDerWaalsContact O-N 3.16Å; V65-L69 HydrophobicContact CG1-CD1 3.74Å; V65-L69 HydrophobicContact CG1-CG 4.09Å; V65-L69 WeakPolarHBondContact O-CG 3.5Å; V65-L69 PolarHBondContact O-N 3.12Å; V65-L69 VanDerWaalsContact O-N 3.11Å
66S80.1Confident72.7Confident75 Ų75112.8 Ų112.852%0.52465%0.646SS.*Hα-helixtrans-52.5-42.8174.351.40000112.8G64 A68 L69G64-S66 PolarHBondContact O-N 3.33Å; S66-A68 VanDerWaalsContact C-N 3.26Å; S66-A68 PolarHBondContact O-N 2.8Å; S66-L69 PolarHBondContact O-N 3.28Å
67D80.8Confident71.1Confident77 Ų77113.9 Ų113.941%0.41263%0.634SS.*Hα-helixtrans-73.9-25-173.9-52.4-14.5000111.4S63 G64 V65 H70S63-D67 WeakPolarHBondContact CA-OD2 3.29Å; S63-D67 WeakPolarHBondContact CB-OD2 3.41Å; G64-D67 PolarHBondContact N-OD2 2.95Å; G64-D67 PolarHBondContact O-N 3.15Å; V65-D67 PolarHBondContact O-N 3.38Å; D67-H70 PolarHBondContact O-CD2 3.39Å
68A73.3Confident69.5Low85 Ų85113.6 Ų113.670%0.70262%0.622SS**Hα-helixtrans-82.7-24.7175.300000112.7V65 S66 H70V65-A68 PolarHBondContact O-N 3.02Å; V65-A68 VanDerWaalsContact O-N 3.16Å; S66-A68 VanDerWaalsContact C-N 3.26Å; S66-A68 PolarHBondContact O-N 2.8Å; A68-H70 VanDerWaalsContact C-N 3.29Å; A68-H70 PolarHBondContact O-N 3.44Å
69L75.9Confident68Low123 Ų123113.5 Ų113.564%0.64462%0.624SS**  trans-88.210.7-179.5-67.9177.9000113.5V65 S66 W71V65-L69 HydrophobicContact CG1-CD1 3.74Å; V65-L69 HydrophobicContact CG1-CG 4.09Å; V65-L69 WeakPolarHBondContact O-CG 3.5Å; V65-L69 PolarHBondContact O-N 3.12Å; V65-L69 VanDerWaalsContact O-N 3.11Å; S66-L69 PolarHBondContact O-N 3.28Å; L69-W71 PolarHBondContact O-N 2.86Å; L69-W71 VanDerWaalsContact O-N 3.09Å
70H69.5Low66.7Low130 Ų130116.4 Ų116.460%0.60262%0.622SS**  trans-68.6107.9168.8-65.7-48.6000109.5D67 A68 V72D67-H70 PolarHBondContact O-CD2 3.39Å; A68-H70 VanDerWaalsContact C-N 3.29Å; A68-H70 PolarHBondContact O-N 3.44Å; H70-V72 PolarHBondContact O-N 2.93Å; H70-V72 VanDerWaalsContact O-N 3.13Å
71W69.1Low65.3Low249 Ų249114.8 Ų114.894%0.94362%0.615SS**  trans-54.3119.5162-66.291.5000107.3L69 D73L69-W71 PolarHBondContact O-N 2.86Å; L69-W71 VanDerWaalsContact O-N 3.09Å; W71-D73 PolarHBondContact O-N 3.19Å
72V63.4Low64Low96 Ų96111.6 Ų111.658%0.58261%0.607SS**  trans-70110.6176.7-165.40000106.3H70 D74 I77H70-V72 PolarHBondContact O-N 2.93Å; H70-V72 VanDerWaalsContact O-N 3.13Å; V72-D74 PolarHBondContact O-N 3.35Å; V72-I77 HydrophobicContact CB-CD1 3.86Å; V72-I77 HydrophobicContact CG1-CD1 3.24Å; V72-I77 HydrophobicContact CG1-CG1 3.39Å
73D55.4Low62.9Low116 Ų116110.8 Ų110.862%0.6259%0.594SS**  trans-58.1111.6168.9-117.8-12.2000106.8W71 T75 A76W71-D73 PolarHBondContact O-N 3.19Å; D73-T75 PolarHBondContact O-N 3.09Å; D73-A76 PolarHBondContact O-N 3.26Å
74D55.5Low61.8Low109 Ų109113.9 Ų113.958%0.58360%0.6SS**Hα-helixtrans-54.9-19.3-179.7-84-27.2000111.8V72 R78V72-D74 PolarHBondContact O-N 3.35Å; D74-R78 WeakPolarHBondContact O-CB 3.4Å; D74-R78 WeakPolarHBondContact O-CD 3.47Å; D74-R78 WeakPolarHBondContact O-CG 3.44Å; D74-R78 PolarHBondContact O-N 2.61Å; D74-R78 VanDerWaalsContact O-N 3.13Å
75T54.4Low60.9Low87 Ų87116.6 Ų116.653%0.53460%0.604SS.*Hα-helixtrans-65.4-37.8173.462.30000112.4D73 Q79D73-T75 PolarHBondContact O-N 3.09Å; T75-Q79 WeakPolarHBondContact O-CG 3.25Å; T75-Q79 PolarHBondContact O-N 2.97Å
76A51.6Low60.3Low51 Ų51119.2 Ų119.242%0.42160%0.603SS.*Hα-helixtrans-79-34.1-179.500000113D73 R78 Q79 K80D73-A76 PolarHBondContact O-N 3.26Å; A76-R78 VanDerWaalsContact C-N 3.32Å; A76-Q79 PolarHBondContact O-N 3.14Å; A76-K80 PolarHBondContact O-N 3.48Å
77I53.2Low60.2Low93 Ų93120.3 Ų120.348%0.47760%0.602SS.*Hα-helixtrans-64.2-42.6171.2-63.8163.2000109.5V72 Q79 K80 S81V72-I77 HydrophobicContact CB-CD1 3.86Å; V72-I77 HydrophobicContact CG1-CD1 3.24Å; V72-I77 HydrophobicContact CG1-CG1 3.39Å; I77-Q79 VanDerWaalsContact C-N 3.32Å; I77-Q79 PolarHBondContact O-N 2.97Å; I77-K80 PolarHBondContact O-N 3.4Å; I77-S81 PolarHBondContact O-N 2.99Å; I77-S81 VanDerWaalsContact O-N 3.1Å
78R50.2Low60.4Low170 Ų170119.5 Ų119.564%0.64260%0.6SS**Hα-helixtrans-65.8-32.9177.8-74.6172.9-176.7-111.63.6112.8D74 A76 S81 N82D74-R78 WeakPolarHBondContact O-CB 3.4Å; D74-R78 WeakPolarHBondContact O-CD 3.47Å; D74-R78 WeakPolarHBondContact O-CG 3.44Å; D74-R78 PolarHBondContact O-N 2.61Å; D74-R78 VanDerWaalsContact O-N 3.13Å; A76-R78 VanDerWaalsContact C-N 3.32Å; R78-S81 VanDerWaalsContact CA-OG 3.31Å; R78-S81 WeakPolarHBondContact CA-OG 3.26Å; R78-S81 PolarHBondContact O-N 3.19Å; R78-S81 PolarHBondContact O-OG 3.47Å; R78-N82 WeakPolarHBondContact O-CB 3.36Å; R78-N82 PolarHBondContact O-N 3.22Å
79Q50Low61.1Low152 Ų152119 Ų11971%0.7158%0.58SS**Hα-helixtrans-66-36.9175.7-79.8-171-0.700113.1T75 A76 I77 N82T75-Q79 WeakPolarHBondContact O-CG 3.25Å; T75-Q79 PolarHBondContact O-N 2.97Å; A76-Q79 PolarHBondContact O-N 3.14Å; I77-Q79 VanDerWaalsContact C-N 3.32Å; I77-Q79 PolarHBondContact O-N 2.97Å; Q79-N82 PolarHBondContact O-N 2.73Å
80K51.4Low61.8Low173 Ų173114.6 Ų114.675%0.75256%0.557SS**Hα-helixtrans-76.7-26.8173.6-73.3-176.8-180174.60113.2A76 I77 N82A76-K80 PolarHBondContact O-N 3.48Å; I77-K80 PolarHBondContact O-N 3.4Å; K80-N82 VanDerWaalsContact C-N 3.3Å
81S51.2Low62.8Low71 Ų71113.4 Ų113.450%0.49755%0.551SS.*Hα-helixtrans-77.5-16.8171.866.10000113.7I77 R78 E83I77-S81 PolarHBondContact O-N 2.99Å; I77-S81 VanDerWaalsContact O-N 3.1Å; R78-S81 VanDerWaalsContact CA-OG 3.31Å; R78-S81 WeakPolarHBondContact CA-OG 3.26Å; R78-S81 PolarHBondContact O-N 3.19Å; R78-S81 PolarHBondContact O-OG 3.47Å; S81-E83 VanDerWaalsContact C-N 3.29Å
82N48.2Very low63.8Low122 Ų122106.6 Ų106.665%0.65254%0.536SS*.THydrogen-bonded Turntrans-87.612.8172.9-80.6-10.9000113.3R78 Q79 K80 H84R78-N82 WeakPolarHBondContact O-CB 3.36Å; R78-N82 PolarHBondContact O-N 3.22Å; Q79-N82 PolarHBondContact O-N 2.73Å; K80-N82 VanDerWaalsContact C-N 3.3Å; N82-H84 PolarHBondContact O-N 2.96Å
83E52.5Low65.2Low114 Ų114103.7 Ų103.753%0.53352%0.522SS..SBendtrans-53.8103.2152.7-79.7-174.717900106.1S81 I85 Q123S81-E83 VanDerWaalsContact C-N 3.29Å; E83-I85 PolarHBondContact O-N 2.67Å; E83-Q123 PolarHBondContact OE2-NE2 3.27Å
84H53.6Low67Low146 Ų14698.2 Ų98.268%0.67649%0.493SS*.  trans-37113.3177.1-96.5-92.7000106.9N82 Y86N82-H84 PolarHBondContact O-N 2.96Å; H84-Y86 HydrophobicContact CB-CD1 4.48Å; H84-Y86 HydrophobicContact CB-CD2 4.35Å; H84-Y86 HydrophobicContact CB-CE1 4.14Å; H84-Y86 HydrophobicContact CB-CE2 4Å; H84-Y86 WeakPolarHBondContact O-CD2 3.2Å; H84-Y86 PolarHBondContact O-N 3.32Å
85I59Low68.7Low96 Ų9695.5 Ų95.549%0.49248%0.479SS..  trans-62.693.9173.7-61.9173000103.4E83 L87E83-I85 PolarHBondContact O-N 2.67Å; I85-L87 HydrophobicContact CG2-CD2 4.24Å; I85-L87 HydrophobicContact CG2-CG 4.3Å; I85-L87 PolarHBondContact O-N 3.05Å
86Y67.4Low70.6Confident168 Ų16894.5 Ų94.566%0.65947%0.474SS*.  trans-68.392.3177.6-69.9-76.2000104.7H84 T88H84-Y86 HydrophobicContact CB-CD1 4.48Å; H84-Y86 HydrophobicContact CB-CD2 4.35Å; H84-Y86 HydrophobicContact CB-CE1 4.14Å; H84-Y86 HydrophobicContact CB-CE2 4Å; H84-Y86 WeakPolarHBondContact O-CD2 3.2Å; H84-Y86 PolarHBondContact O-N 3.32Å; Y86-T88 PolarHBondContact O-N 3.02Å; Y86-T88 VanDerWaalsContact O-N 3.12Å
87L78.5Confident72.6Confident98 Ų9893.3 Ų93.351%0.51346%0.461SS..EExtended strand (participates in β ladder)trans-66.5105.5170.4-77.3173.3000105.6I85 L119I85-L87 HydrophobicContact CG2-CD2 4.24Å; I85-L87 HydrophobicContact CG2-CG 4.3Å; I85-L87 PolarHBondContact O-N 3.05Å; L87-L119 HydrophobicContact CB-CB 4.03Å; L87-L119 HydrophobicContact CB-CD1 4.01Å; L87-L119 HydrophobicContact CB-CD2 4.4Å; L87-L119 HydrophobicContact CB-CG 4.36Å; L87-L119 HydrophobicContact CD1-CB 4.48Å; L87-L119 HydrophobicContact CD1-CD1 3.9Å; L87-L119 HydrophobicContact CD2-CB 4.1Å; L87-L119 HydrophobicContact CG-CB 4.42Å; L87-L119 HydrophobicContact CG-CD1 4.49Å
88T84.9Confident74.5Confident60 Ų6088.9 Ų88.937%0.36844%0.438SS..EExtended strand (participates in β ladder)trans-92.3143.917552.80000108.7Y86 D90 R120 K122Y86-T88 PolarHBondContact O-N 3.02Å; Y86-T88 VanDerWaalsContact O-N 3.12Å; T88-D90 PolarHBondContact O-N 2.75Å; T88-R120 PolarHBondContact N-O 3.18Å; T88-R120 PolarHBondContact O-N 3.15Å; T88-R120 PolarHBondContact OG1-O 3.11Å; T88-R120 VanDerWaalsContact OG1-O 3.04Å; T88-K122 HydrophobicContact CG2-CB 4.32Å; T88-K122 HydrophobicContact CG2-CD 4.47Å
89R87.9Confident76.5Confident74 Ų7485.7 Ų85.728%0.27944%0.437SS..EExtended strand (participates in β ladder)trans-58.9127174.6-161.1106.898.6111.56110.7F91 L94 R113 H116 D117 R118R89-F91 HydrophobicContact CB-CE1 4.4Å; R89-F91 HydrophobicContact CB-CE2 4.3Å; R89-F91 HydrophobicContact CB-CZ 4.11Å; R89-F91 HydrophobicContact CG-CD1 4.44Å; R89-F91 HydrophobicContact CG-CE1 4.16Å; R89-F91 HydrophobicContact CG-CZ 4.38Å; R89-F91 PolarHBondContact O-N 2.83Å; R89-L94 HydrophobicContact CG-CD1 4.29Å; R89-L94 VanDerWaalsContact NH1-CD1 3.33Å; R89-R113 PolarHBondContact NH1-O 3.13Å; R89-R113 PolarHBondContact NH2-O 3.03Å; R89-H116 PolarHBondContact NH1-O 2.82Å; R89-D117 VanDerWaalsContact CD-OD1 3.26Å; R89-D117 WeakPolarHBondContact CD-OD1 3.13Å; R89-D117 IonicContact CZ-OD1 3.34Å; R89-D117 IonicContact NE-OD1 3.35Å; R89-D117 PolarHBondContact NE-OD1 2.78Å; R89-D117 IonicContact NH1-OD1 2.69Å; R89-D117 PolarHBondContact NH1-OD1 2.9Å; R89-R118 CarbonylContact C-O 3.54Å; R89-R118 WeakPolarHBondContact CA-O 3.49Å
90D90.5Very high78.6Confident32 Ų3288 Ų8817%0.17144%0.44CS..  trans-89.287.7175.2-164-25.9000110.3T88 V92 A93 L94 R118 R120T88-D90 PolarHBondContact O-N 2.75Å; D90-V92 PolarHBondContact O-N 2.97Å; D90-V92 PolarHBondContact OD1-N 2.81Å; D90-V92 VanDerWaalsContact OD1-N 3.12Å; D90-A93 HydrophobicContact CB-CB 4.12Å; D90-A93 PolarHBondContact O-N 3Å; D90-A93 PolarHBondContact OD1-N 3.47Å; D90-A93 VanDerWaalsContact OD1-N 3.17Å; D90-L94 VanDerWaalsContact O-CB 3.27Å; D90-L94 WeakPolarHBondContact O-CB 3.18Å; D90-L94 PolarHBondContact O-N 2.87Å; D90-R118 PolarHBondContact N-O 3.16Å; D90-R120 HydrophobicContact CB-CB 3.82Å; D90-R120 WeakPolarHBondContact OD2-CD 3.42Å
91F90.8Very high80.5Confident105 Ų10585.5 Ų85.546%0.46143%0.43SS..Hα-helixtrans-62.2-25.7179.3-63.5-71.3000113.2R89 N95R89-F91 HydrophobicContact CB-CE1 4.4Å; R89-F91 HydrophobicContact CB-CE2 4.3Å; R89-F91 HydrophobicContact CB-CZ 4.11Å; R89-F91 HydrophobicContact CG-CD1 4.44Å; R89-F91 HydrophobicContact CG-CE1 4.16Å; R89-F91 HydrophobicContact CG-CZ 4.38Å; R89-F91 PolarHBondContact O-N 2.83Å; F91-N95 VanDerWaalsContact O-CB 3.25Å; F91-N95 WeakPolarHBondContact O-CB 3.42Å; F91-N95 PolarHBondContact O-N 3.27Å; F91-N95 PolarHBondContact O-ND2 2.79Å; F91-N95 VanDerWaalsContact O-ND2 3.14Å; F91-N95 PolarHBondContact O-OD1 3.06Å
92V90.9Very high82.4Confident105 Ų10584.5 Ų84.564%0.63643%0.431SS*.Hα-helixtrans-72.5-52.2-179.7179.40000109.4D90 L94 N95 C96D90-V92 PolarHBondContact O-N 2.97Å; D90-V92 PolarHBondContact OD1-N 2.81Å; D90-V92 VanDerWaalsContact OD1-N 3.12Å; V92-L94 VanDerWaalsContact C-N 3.28Å; V92-L94 PolarHBondContact O-N 2.68Å; V92-N95 PolarHBondContact O-N 2.9Å; V92-C96 PolarHBondContact O-N 2.8Å; V92-C96 PolarHBondContact O-SG 3.34Å; V92-C96 VanDerWaalsContact O-SG 3.32Å
93A91.1Very high84.5Confident35 Ų3579.8 Ų79.829%0.28941%0.407SS..Hα-helixtrans-59.2-42.4176.400000111.4D90 C96 D97 R118D90-A93 HydrophobicContact CB-CB 4.12Å; D90-A93 PolarHBondContact O-N 3Å; D90-A93 PolarHBondContact OD1-N 3.47Å; D90-A93 VanDerWaalsContact OD1-N 3.17Å; A93-C96 PolarHBondContact O-N 3.31Å; A93-D97 PolarHBondContact O-N 2.87Å; A93-R118 HydrophobicContact CB-CB 4.5Å
94L93.5Very high86.3Confident1 Ų180.3 Ų80.31%0.00542%0.418CS..Hα-helixtrans-62.9-44.7178.7-161.8165.5000111.8R89 D90 V92 C96 D97 S98 F112 R113 H116 R118R89-L94 HydrophobicContact CG-CD1 4.29Å; R89-L94 VanDerWaalsContact NH1-CD1 3.33Å; D90-L94 VanDerWaalsContact O-CB 3.27Å; D90-L94 WeakPolarHBondContact O-CB 3.18Å; D90-L94 PolarHBondContact O-N 2.87Å; V92-L94 VanDerWaalsContact C-N 3.28Å; V92-L94 PolarHBondContact O-N 2.68Å; L94-C96 VanDerWaalsContact C-N 3.34Å; L94-C96 PolarHBondContact O-N 3.42Å; L94-D97 PolarHBondContact O-N 3.42Å; L94-S98 PolarHBondContact O-N 2.75Å; L94-F112 HydrophobicContact CD2-CD1 3.55Å; L94-F112 HydrophobicContact CD2-CE1 3.79Å; L94-F112 HydrophobicContact CG-CD1 4.47Å; L94-F112 HydrophobicContact CG-CE1 4.34Å; L94-R113 HydrophobicContact CD1-CB 4.48Å; L94-R113 HydrophobicContact CD1-CG 4Å; L94-R113 HydrophobicContact CD2-CB 4.3Å; L94-R113 HydrophobicContact CD2-CG 3.33Å; L94-R113 HydrophobicContact CG-CG 4.34Å; L94-H116 WeakPolarHBondContact CD1-O 3.38Å; L94-R118 HydrophobicContact CB-CB 4.4Å
95N92.2Very high88.1Confident53 Ų5376.4 Ų76.428%0.28340%0.404SS..Hα-helixtrans-66.9-35176.7-68.8-16.3000112.5F91 V92 S98 V99 R113F91-N95 VanDerWaalsContact O-CB 3.25Å; F91-N95 WeakPolarHBondContact O-CB 3.42Å; F91-N95 PolarHBondContact O-N 3.27Å; F91-N95 PolarHBondContact O-ND2 2.79Å; F91-N95 VanDerWaalsContact O-ND2 3.14Å; F91-N95 PolarHBondContact O-OD1 3.06Å; V92-N95 PolarHBondContact O-N 2.9Å; N95-S98 WeakPolarHBondContact CA-OG 3.34Å; N95-S98 PolarHBondContact O-OG 3.21Å; N95-V99 VanDerWaalsContact O-CG2 3.31Å; N95-V99 WeakPolarHBondContact O-CG2 3.36Å; N95-V99 PolarHBondContact O-N 2.87Å; N95-V99 VanDerWaalsContact O-N 3.15Å; N95-R113 PolarHBondContact OD1-NE 2.95Å; N95-R113 PolarHBondContact OD1-NH2 2.83Å
96C93.4Very high89.7Confident65 Ų6576.3 Ų76.344%0.43941%0.413SS..Hα-helixtrans-64.7-42.2173.6-70.20000111.4V92 A93 L94 R100V92-C96 PolarHBondContact O-N 2.8Å; V92-C96 PolarHBondContact O-SG 3.34Å; V92-C96 VanDerWaalsContact O-SG 3.32Å; A93-C96 PolarHBondContact O-N 3.31Å; L94-C96 VanDerWaalsContact C-N 3.34Å; L94-C96 PolarHBondContact O-N 3.42Å; C96-R100 WeakPolarHBondContact O-CG 3.43Å; C96-R100 PolarHBondContact O-N 3.45Å; C96-R100 VanDerWaalsContact O-N 3.11Å
97D93.6Very high91Very high27 Ų2776.8 Ų76.814%0.14442%0.418CS..Hα-helixtrans-67.6-37.6177.6-76.4-11.1000111.9A93 L94 R100 Q101 F112 R118A93-D97 PolarHBondContact O-N 2.87Å; L94-D97 PolarHBondContact O-N 3.42Å; D97-R100 WeakPolarHBondContact O-CB 3.47Å; D97-R100 PolarHBondContact O-N 2.8Å; D97-R100 IonicContact OD1-NH1 3.6Å; D97-Q101 WeakPolarHBondContact O-CG 3.48Å; D97-Q101 PolarHBondContact O-N 3.05Å; D97-F112 HydrophobicContact CB-CE1 4.39Å; D97-F112 HydrophobicContact CB-CZ 4.23Å; D97-R118 IonicContact OD2-CZ 3.92Å; D97-R118 VanDerWaalsContact OD2-CZ 3.26Å; D97-R118 IonicContact OD2-NE 3.95Å; D97-R118 PolarHBondContact OD2-NE 2.74Å; D97-R118 IonicContact OD2-NH2 3.32Å; D97-R118 PolarHBondContact OD2-NH2 3.49Å
98S93.2Very high91.7Very high0 Ų076 Ų760%041%0.412CS..Hα-helixtrans-65.7-42.3177.869.90000112.1L94 N95 R100 Q101 G102 V103 M109 F112L94-S98 PolarHBondContact O-N 2.75Å; N95-S98 WeakPolarHBondContact CA-OG 3.34Å; N95-S98 PolarHBondContact O-OG 3.21Å; S98-R100 VanDerWaalsContact C-N 3.31Å; S98-R100 PolarHBondContact O-N 3.11Å; S98-Q101 CarbonylContact O-C 3.4Å; S98-Q101 PolarHBondContact O-N 3.39Å; S98-Q101 VanDerWaalsContact O-N 3.13Å; S98-G102 PolarHBondContact O-N 3.25Å; S98-V103 VanDerWaalsContact O-CB 3.32Å; S98-V103 WeakPolarHBondContact O-CB 3.43Å; S98-V103 PolarHBondContact O-N 2.85Å; S98-M109 WeakPolarHBondContact OG-CE 2.84Å; S98-M109 PolarHBondContact OG-SD 3.14Å; S98-F112 VanDerWaalsContact CB-CD1 3.43Å
99V92.8Very high92Very high102 Ų10274.9 Ų74.962%0.61840%0.403SS*.Hα-helixtrans-62.5-39.6174.5171.90000111N95 Q101 G102N95-V99 VanDerWaalsContact O-CG2 3.31Å; N95-V99 WeakPolarHBondContact O-CG2 3.36Å; N95-V99 PolarHBondContact O-N 2.87Å; N95-V99 VanDerWaalsContact O-N 3.15Å; V99-Q101 VanDerWaalsContact C-N 3.27Å; V99-Q101 PolarHBondContact O-N 3.12Å; V99-G102 PolarHBondContact O-N 3.41Å; V99-G102 VanDerWaalsContact O-N 3.11Å
100R93Very high92.3Very high202 Ų20275.7 Ų75.776%0.76242%0.416SS*.Hα-helixtrans-63.6-31.8174.8-74.9171.6176.3174.3-4.7113C96 D97 S98 G102C96-R100 WeakPolarHBondContact O-CG 3.43Å; C96-R100 PolarHBondContact O-N 3.45Å; C96-R100 VanDerWaalsContact O-N 3.11Å; D97-R100 WeakPolarHBondContact O-CB 3.47Å; D97-R100 PolarHBondContact O-N 2.8Å; D97-R100 IonicContact OD1-NH1 3.6Å; S98-R100 VanDerWaalsContact C-N 3.31Å; S98-R100 PolarHBondContact O-N 3.11Å; R100-G102 VanDerWaalsContact C-N 3.27Å
101Q91.8Very high92.5Very high120 Ų12079.9 Ų79.956%0.56143%0.434SS*.THydrogen-bonded Turntrans-86.16.6175.8-67.2-167.141.800113.5D97 S98 V99 F112 H116D97-Q101 WeakPolarHBondContact O-CG 3.48Å; D97-Q101 PolarHBondContact O-N 3.05Å; S98-Q101 CarbonylContact O-C 3.4Å; S98-Q101 PolarHBondContact O-N 3.39Å; S98-Q101 VanDerWaalsContact O-N 3.13Å; V99-Q101 VanDerWaalsContact C-N 3.27Å; V99-Q101 PolarHBondContact O-N 3.12Å; Q101-F112 HydrophobicContact CB-CE2 4.14Å; Q101-F112 VanDerWaalsContact CD-CE2 3.43Å; Q101-F112 HydrophobicContact CG-CE2 4.18Å; Q101-H116 PolarHBondContact NE2-NE2 3.16Å
102G91.4Very high92.6Very high50 Ų5075.5 Ų75.552%0.51542%0.415SS..THydrogen-bonded Turntrans78.118.6175.900000114.6S98 V99 R100 T104S98-G102 PolarHBondContact O-N 3.25Å; V99-G102 PolarHBondContact O-N 3.41Å; V99-G102 VanDerWaalsContact O-N 3.11Å; R100-G102 VanDerWaalsContact C-N 3.27Å; G102-T104 PolarHBondContact O-N 3.46Å
103V91.6Very high92.7Very high22 Ų2274.1 Ų74.113%0.13340%0.398CS..  trans-70.2113.9174173.90000109.4S98 E108 M109 F112S98-V103 VanDerWaalsContact O-CB 3.32Å; S98-V103 WeakPolarHBondContact O-CB 3.43Å; S98-V103 PolarHBondContact O-N 2.85Å; V103-E108 HydrophobicContact CG1-CB 3.61Å; V103-M109 HydrophobicContact CG1-CB 4.08Å; V103-M109 HydrophobicContact CG1-CE 4.32Å; V103-F112 HydrophobicContact CG2-CB 4.23Å; V103-F112 HydrophobicContact CG2-CD2 3.77Å; V103-F112 HydrophobicContact CG2-CE2 4.46Å; V103-F112 HydrophobicContact CG2-CG 4.15Å
104T90Very high92.8Very high125 Ų12576.1 Ų76.177%0.76742%0.415SS*.  trans-114.8-24.8-175.758.30000113G102 E108G102-T104 PolarHBondContact O-N 3.46Å; T104-E108 PolarHBondContact N-OE2 2.97Å
105T93Very high92.8Very high64 Ų6481.7 Ų81.739%0.39344%0.444SS..SBendtrans-96.9145.3-176.6-47.90000111.5K107 E108 M109T105-K107 HydrophobicContact CG2-CB 4.39Å; T105-K107 PolarHBondContact O-N 3.2Å; T105-E108 VanDerWaalsContact CB-CD 3.46Å; T105-E108 VanDerWaalsContact CB-OE1 3.31Å; T105-E108 WeakPolarHBondContact CB-OE1 3.26Å; T105-E108 PolarHBondContact N-OE2 3.29Å; T105-E108 WeakPolarHBondContact O-CB 3.21Å; T105-E108 PolarHBondContact O-N 3.21Å; T105-E108 VanDerWaalsContact O-N 3.17Å; T105-E108 PolarHBondContact OG1-OE1 2.88Å; T105-M109 PolarHBondContact O-N 2.93Å
106S91.4Very high92.7Very high95 Ų9582.4 Ų82.466%0.66445%0.446SS*.Hα-helixtrans-59.6-33.7176.3-1750000113.3M109 T110S106-M109 PolarHBondContact O-N 3.03Å; S106-T110 PolarHBondContact O-N 3.48Å; S106-T110 VanDerWaalsContact O-N 3.09Å; S106-T110 PolarHBondContact O-OG1 3.29Å
107K94.8Very high92.4Very high177 Ų17784.6 Ų84.677%0.7745%0.453SS*.Hα-helixtrans-65.6-44.6176.7-68.1-175.6178.7-179.10111.3T105 M109 T110 H111T105-K107 HydrophobicContact CG2-CB 4.39Å; T105-K107 PolarHBondContact O-N 3.2Å; K107-M109 VanDerWaalsContact C-N 3.32Å; K107-M109 PolarHBondContact O-N 2.94Å; K107-T110 PolarHBondContact O-N 3.46Å; K107-H111 PolarHBondContact O-N 2.96Å
108E93Very high92Very high82 Ų8289.5 Ų89.538%0.38347%0.469SS..Hα-helixtrans-62.3-39.5174.2-66.7157.4-153.800111V103 T104 T105 T110 H111 F112V103-E108 HydrophobicContact CG1-CB 3.61Å; T104-E108 PolarHBondContact N-OE2 2.97Å; T105-E108 VanDerWaalsContact CB-CD 3.46Å; T105-E108 VanDerWaalsContact CB-OE1 3.31Å; T105-E108 WeakPolarHBondContact CB-OE1 3.26Å; T105-E108 PolarHBondContact N-OE2 3.29Å; T105-E108 WeakPolarHBondContact O-CB 3.21Å; T105-E108 PolarHBondContact O-N 3.21Å; T105-E108 VanDerWaalsContact O-N 3.17Å; T105-E108 PolarHBondContact OG1-OE1 2.88Å; E108-T110 VanDerWaalsContact C-N 3.34Å; E108-T110 PolarHBondContact O-N 3.21Å; E108-H111 PolarHBondContact O-N 3.18Å; E108-F112 WeakPolarHBondContact O-CB 3.36Å; E108-F112 PolarHBondContact O-N 3.27Å
109M92.5Very high91.8Very high37 Ų3794 Ų9418%0.18249%0.493CS..Hα-helixtrans-61.4-42.1176-175.870.570.700112S98 V103 T105 S106 K107 F112 R113S98-M109 WeakPolarHBondContact OG-CE 2.84Å; S98-M109 PolarHBondContact OG-SD 3.14Å; V103-M109 HydrophobicContact CG1-CB 4.08Å; V103-M109 HydrophobicContact CG1-CE 4.32Å; T105-M109 PolarHBondContact O-N 2.93Å; S106-M109 PolarHBondContact O-N 3.03Å; K107-M109 VanDerWaalsContact C-N 3.32Å; K107-M109 PolarHBondContact O-N 2.94Å; M109-F112 PolarHBondContact O-N 3.11Å; M109-R113 WeakPolarHBondContact O-CB 3.41Å; M109-R113 VanDerWaalsContact O-CG 3.25Å; M109-R113 WeakPolarHBondContact O-CG 3.23Å; M109-R113 PolarHBondContact O-N 3.01Å
110T92.9Very high91.3Very high91 Ų9193.7 Ų93.756%0.55848%0.481SS*.Hα-helixtrans-64.1-43.2175.4-570000111.1S106 K107 E108 R113 A114S106-T110 PolarHBondContact O-N 3.48Å; S106-T110 VanDerWaalsContact O-N 3.09Å; S106-T110 PolarHBondContact O-OG1 3.29Å; K107-T110 PolarHBondContact O-N 3.46Å; E108-T110 VanDerWaalsContact C-N 3.34Å; E108-T110 PolarHBondContact O-N 3.21Å; T110-R113 PolarHBondContact O-N 2.99Å; T110-A114 PolarHBondContact O-N 2.96Å
111H94.6Very high90.5Very high120 Ų12085.7 Ų85.756%0.55646%0.455SS*.Hα-helixtrans-64.7-43.2176.5-170.166.9000112K107 E108 R113 A114 L115K107-H111 PolarHBondContact O-N 2.96Å; E108-H111 PolarHBondContact O-N 3.18Å; H111-R113 VanDerWaalsContact C-N 3.31Å; H111-R113 PolarHBondContact O-N 3.22Å; H111-A114 WeakPolarHBondContact O-CA 3.19Å; H111-A114 WeakPolarHBondContact O-CB 3.45Å; H111-A114 PolarHBondContact O-N 3.13Å; H111-L115 WeakPolarHBondContact NE2-CD1 3.41Å; H111-L115 PolarHBondContact O-N 2.99Å
112F94.5Very high89.5Confident12 Ų1287.8 Ų87.85%0.05346%0.463CS..Hα-helixtrans-59.1-43.9176.1-172.4-88.9000111.3L94 D97 S98 Q101 V103 E108 M109 A114 L115 H116L94-F112 HydrophobicContact CD2-CD1 3.55Å; L94-F112 HydrophobicContact CD2-CE1 3.79Å; L94-F112 HydrophobicContact CG-CD1 4.47Å; L94-F112 HydrophobicContact CG-CE1 4.34Å; D97-F112 HydrophobicContact CB-CE1 4.39Å; D97-F112 HydrophobicContact CB-CZ 4.23Å; S98-F112 VanDerWaalsContact CB-CD1 3.43Å; Q101-F112 HydrophobicContact CB-CE2 4.14Å; Q101-F112 VanDerWaalsContact CD-CE2 3.43Å; Q101-F112 HydrophobicContact CG-CE2 4.18Å; V103-F112 HydrophobicContact CG2-CB 4.23Å; V103-F112 HydrophobicContact CG2-CD2 3.77Å; V103-F112 HydrophobicContact CG2-CE2 4.46Å; V103-F112 HydrophobicContact CG2-CG 4.15Å; E108-F112 WeakPolarHBondContact O-CB 3.36Å; E108-F112 PolarHBondContact O-N 3.27Å; M109-F112 PolarHBondContact O-N 3.11Å; F112-A114 VanDerWaalsContact C-N 3.3Å; F112-A114 PolarHBondContact O-N 3.44Å; F112-L115 PolarHBondContact O-N 3.15Å; F112-H116 HydrophobicContact CD1-CB 4.36Å; F112-H116 AromaticContact CD2-CE1 3.69Å; F112-H116 AromaticContact CD2-ND1 3.65Å; F112-H116 HydrophobicContact CE1-CB 4.01Å; F112-H116 AromaticContact CE1-CG 3.92Å; F112-H116 AromaticContact CE2-CE1 3.41Å; F112-H116 VanDerWaalsContact CE2-CE1 3.41Å; F112-H116 WeakPolarHBondContact CE2-CE1 3.46Å; F112-H116 AromaticContact CE2-CG 3.97Å; F112-H116 AromaticContact CE2-ND1 3.58Å; F112-H116 AromaticContact CE2-NE2 3.68Å; F112-H116 AromaticContact CG-ND1 3.94Å; F112-H116 HydrophobicContact CZ-CB 4.29Å; F112-H116 AromaticContact CZ-CD2 3.81Å; F112-H116 AromaticContact CZ-CE1 3.94Å; F112-H116 AromaticContact CZ-CG 3.73Å; F112-H116 AromaticContact CZ-ND1 3.81Å; F112-H116 AromaticContact CZ-NE2 3.93Å; F112-H116 WeakPolarHBondContact O-CB 3.47Å; F112-H116 PolarHBondContact O-N 3.02Å; F112-H116 PolarHBondContact O-ND1 3.24Å; F112-H116 VanDerWaalsContact O-ND1 3.15Å
113R93.3Very high88.2Confident76 Ų7688.6 Ų88.629%0.28745%0.453SS..Hα-helixtrans-64-32173-74.8169.9-177.5-171.16.1112.6R89 L94 N95 M109 T110 H111R89-R113 PolarHBondContact NH1-O 3.13Å; R89-R113 PolarHBondContact NH2-O 3.03Å; L94-R113 HydrophobicContact CD1-CB 4.48Å; L94-R113 HydrophobicContact CD1-CG 4Å; L94-R113 HydrophobicContact CD2-CB 4.3Å; L94-R113 HydrophobicContact CD2-CG 3.33Å; L94-R113 HydrophobicContact CG-CG 4.34Å; N95-R113 PolarHBondContact OD1-NE 2.95Å; N95-R113 PolarHBondContact OD1-NH2 2.83Å; M109-R113 WeakPolarHBondContact O-CB 3.41Å; M109-R113 VanDerWaalsContact O-CG 3.25Å; M109-R113 WeakPolarHBondContact O-CG 3.23Å; M109-R113 PolarHBondContact O-N 3.01Å; T110-R113 PolarHBondContact O-N 2.99Å; H111-R113 VanDerWaalsContact C-N 3.31Å; H111-R113 PolarHBondContact O-N 3.22Å
114A92.1Very high86.5Confident77 Ų7790.2 Ų90.264%0.63647%0.469SS*.Hα-helixtrans-71.9-33.8176.500000111.9T110 H111 F112T110-A114 PolarHBondContact O-N 2.96Å; H111-A114 WeakPolarHBondContact O-CA 3.19Å; H111-A114 WeakPolarHBondContact O-CB 3.45Å; H111-A114 PolarHBondContact O-N 3.13Å; F112-A114 VanDerWaalsContact C-N 3.3Å; F112-A114 PolarHBondContact O-N 3.44Å
115L92.9Very high84.8Confident118 Ų11892.2 Ų92.262%0.61847%0.467SS*.Hα-helixtrans-87.3-31-177.5-67.1179.5000114.3H111 F112H111-L115 WeakPolarHBondContact NE2-CD1 3.41Å; H111-L115 PolarHBondContact O-N 2.99Å; F112-L115 PolarHBondContact O-N 3.15Å
116H91.1Very high82.9Confident69 Ų69100.4 Ų100.432%0.31949%0.49SS..  trans-112.5123.8-173.8-62.273.7000110.9R89 L94 Q101 F112R89-H116 PolarHBondContact NH1-O 2.82Å; L94-H116 WeakPolarHBondContact CD1-O 3.38Å; Q101-H116 PolarHBondContact NE2-NE2 3.16Å; F112-H116 HydrophobicContact CD1-CB 4.36Å; F112-H116 AromaticContact CD2-CE1 3.69Å; F112-H116 AromaticContact CD2-ND1 3.65Å; F112-H116 HydrophobicContact CE1-CB 4.01Å; F112-H116 AromaticContact CE1-CG 3.92Å; F112-H116 AromaticContact CE2-CE1 3.41Å; F112-H116 VanDerWaalsContact CE2-CE1 3.41Å; F112-H116 WeakPolarHBondContact CE2-CE1 3.46Å; F112-H116 AromaticContact CE2-CG 3.97Å; F112-H116 AromaticContact CE2-ND1 3.58Å; F112-H116 AromaticContact CE2-NE2 3.68Å; F112-H116 AromaticContact CG-ND1 3.94Å; F112-H116 HydrophobicContact CZ-CB 4.29Å; F112-H116 AromaticContact CZ-CD2 3.81Å; F112-H116 AromaticContact CZ-CE1 3.94Å; F112-H116 AromaticContact CZ-CG 3.73Å; F112-H116 AromaticContact CZ-ND1 3.81Å; F112-H116 AromaticContact CZ-NE2 3.93Å; F112-H116 WeakPolarHBondContact O-CB 3.47Å; F112-H116 PolarHBondContact O-N 3.02Å; F112-H116 PolarHBondContact O-ND1 3.24Å; F112-H116 VanDerWaalsContact O-ND1 3.15Å
117D87Confident81.1Confident111 Ų111104 Ų10459%0.59449%0.49SS*.  trans-107.6116.8173-91.2-18.9000112.1R89R89-D117 VanDerWaalsContact CD-OD1 3.26Å; R89-D117 WeakPolarHBondContact CD-OD1 3.13Å; R89-D117 IonicContact CZ-OD1 3.34Å; R89-D117 IonicContact NE-OD1 3.35Å; R89-D117 PolarHBondContact NE-OD1 2.78Å; R89-D117 IonicContact NH1-OD1 2.69Å; R89-D117 PolarHBondContact NH1-OD1 2.9Å
118R86Confident78.9Confident129 Ų129100.3 Ų100.349%0.48749%0.486SS..  trans-112117.9167.8-72.9-65.5-160.7170.5-0.1108.4R89 D90 A93 L94 D97R89-R118 CarbonylContact C-O 3.54Å; R89-R118 WeakPolarHBondContact CA-O 3.49Å; D90-R118 PolarHBondContact N-O 3.16Å; A93-R118 HydrophobicContact CB-CB 4.5Å; L94-R118 HydrophobicContact CB-CB 4.4Å; D97-R118 IonicContact OD2-CZ 3.92Å; D97-R118 VanDerWaalsContact OD2-CZ 3.26Å; D97-R118 IonicContact OD2-NE 3.95Å; D97-R118 PolarHBondContact OD2-NE 2.74Å; D97-R118 IonicContact OD2-NH2 3.32Å; D97-R118 PolarHBondContact OD2-NH2 3.49Å
119L87.3Confident76.8Confident94 Ų94106.1 Ų106.149%0.49250%0.504SS..EExtended strand (participates in β ladder)trans-109.8141.8-178.1-62.9179.2000110.8L87L87-L119 HydrophobicContact CB-CB 4.03Å; L87-L119 HydrophobicContact CB-CD1 4.01Å; L87-L119 HydrophobicContact CB-CD2 4.4Å; L87-L119 HydrophobicContact CB-CG 4.36Å; L87-L119 HydrophobicContact CD1-CB 4.48Å; L87-L119 HydrophobicContact CD1-CD1 3.9Å; L87-L119 HydrophobicContact CD2-CB 4.1Å; L87-L119 HydrophobicContact CG-CB 4.42Å; L87-L119 HydrophobicContact CG-CD1 4.49Å
120R83.7Confident74.6Confident97 Ų97111 Ų11137%0.36654%0.536SS..EExtended strand (participates in β ladder)trans-134.1137.9175.2177167.5173.1-118.1-10.1110.3T88 D90 K122T88-R120 PolarHBondContact N-O 3.18Å; T88-R120 PolarHBondContact O-N 3.15Å; T88-R120 PolarHBondContact OG1-O 3.11Å; T88-R120 VanDerWaalsContact OG1-O 3.04Å; D90-R120 HydrophobicContact CB-CB 3.82Å; D90-R120 WeakPolarHBondContact OD2-CD 3.42Å; R120-K122 PolarHBondContact O-N 3.3Å
121S76.7Confident72.6Confident33 Ų33112.6 Ų112.623%0.23154%0.538CS..EExtended strand (participates in β ladder)trans-66123.6172171.60000110.3Q123 A124S121-Q123 PolarHBondContact O-N 3.19Å; S121-Q123 VanDerWaalsContact O-N 3.14Å; S121-Q123 PolarHBondContact OG-N 2.98Å; S121-A124 WeakPolarHBondContact O-CB 3.38Å; S121-A124 PolarHBondContact O-N 3.02Å
122K70.7Confident70.8Confident165 Ų165112 Ų11272%0.71755%0.546SS*.THydrogen-bonded Turntrans-56.7-27173.5-165.5176.7-178.1-1790112.1T88 R120T88-K122 HydrophobicContact CG2-CB 4.32Å; T88-K122 HydrophobicContact CG2-CD 4.47Å; R120-K122 PolarHBondContact O-N 3.3Å
123Q63.2Low69Low67 Ų67116.7 Ų116.731%0.31358%0.578SS.*THydrogen-bonded Turntrans-88.4-7.2-176.9-66.6-172.6-6.300114.6E83 S121 K125 R126E83-Q123 PolarHBondContact OE2-NE2 3.27Å; S121-Q123 PolarHBondContact O-N 3.19Å; S121-Q123 VanDerWaalsContact O-N 3.14Å; S121-Q123 PolarHBondContact OG-N 2.98Å; Q123-K125 PolarHBondContact O-N 3.31Å; Q123-R126 PolarHBondContact O-N 3.35Å
124A55.7Low67.5Low55 Ų55121.4 Ų121.446%0.45560%0.601SS.*THydrogen-bonded Turntrans-60-22.7-172.600000114.3S121S121-A124 WeakPolarHBondContact O-CB 3.38Å; S121-A124 PolarHBondContact O-N 3.02Å
125K55.2Low66Low168 Ų168124.8 Ų124.873%0.7361%0.607SS**THydrogen-bonded Turntrans-81.7-13.5177.9-88.5-179.2177-173.90115Q123Q123-K125 PolarHBondContact O-N 3.31Å
126R53.2Low64.7Low235 Ų235126 Ų12689%0.88761%0.61SS**THydrogen-bonded Turntrans-98.2-11.9178.8-80.9-161165.4-153.4-3114.4Q123 S128Q123-R126 PolarHBondContact O-N 3.35Å; R126-S128 VanDerWaalsContact C-N 3.29Å; R126-S128 PolarHBondContact O-N 2.97Å
127R52Low63.6Low172 Ų172131.8 Ų131.865%0.64964%0.642SS**  trans-93.335.3177.6-58.8-170-169.1-173.64112.7R129R127-R129 PolarHBondContact O-N 2.83Å
128S50.3Low62.9Low99 Ų99134 Ų13469%0.69265%0.654SS**  trans-71.482.916869.20000109.3R126 T130R126-S128 VanDerWaalsContact C-N 3.29Å; R126-S128 PolarHBondContact O-N 2.97Å; S128-T130 PolarHBondContact O-N 3.24Å; S128-T130 VanDerWaalsContact O-N 3.1Å
129R48Very low62.2Low203 Ų203131.2 Ų131.277%0.76665%0.651SS**  trans36.166.4144.7-54.7177.880.3135.83114.9R127 E131R127-R129 PolarHBondContact O-N 2.83Å; R129-E131 IonicContact CZ-OE1 3.15Å; R129-E131 IonicContact NE-OE1 3.07Å; R129-E131 IonicContact NH2-OE1 2.69Å; R129-E131 PolarHBondContact NH2-OE1 3.32Å; R129-E131 PolarHBondContact O-N 3.15Å
130T46.8Very low61.3Low139 Ų139133 Ų13385%0.85367%0.666SS**  trans-76.894.2130.514.70000104.7S128 S132S128-T130 PolarHBondContact O-N 3.24Å; S128-T130 VanDerWaalsContact O-N 3.1Å; T130-S132 PolarHBondContact O-N 3.38Å
131E51.3Low60.7Low126 Ų126136.8 Ų136.859%0.58969%0.688SS**PPolyproline II helixtrans-51.4126.4158.8-75.6-177.7-176.400106.2R129 P133R129-E131 IonicContact CZ-OE1 3.15Å; R129-E131 IonicContact NE-OE1 3.07Å; R129-E131 IonicContact NH2-OE1 2.69Å; R129-E131 PolarHBondContact NH2-OE1 3.32Å; R129-E131 PolarHBondContact O-N 3.15Å; E131-P133 VanDerWaalsContact O-N 3.15Å
132S55.4Low60.4Low106 Ų106138.4 Ų138.474%0.74171%0.709SS**PPolyproline II helixtrans-49.4125.4169.8-45.40000106.5T130 K134T130-S132 PolarHBondContact O-N 3.38Å; S132-K134 PolarHBondContact O-N 2.96Å
133P57.8Low60.3Low111 Ų111137.4 Ų137.472%0.72172%0.716SS**PPolyproline II helixtrans-51.7124.6178.4-2230.6000107.9E131 L135E131-P133 VanDerWaalsContact O-N 3.15Å; P133-L135 PolarHBondContact O-N 3.28Å
134K61Low60.7Low175 Ų175139.4 Ų139.476%0.76174%0.735SS**  trans-57.6109.9173.3-68.7177.5-178176.30106.4S132 H136S132-K134 PolarHBondContact O-N 2.96Å; K134-H136 PolarHBondContact O-N 2.9Å
135L60.3Low61.3Low148 Ų148144.7 Ų144.778%0.77576%0.756SS**  trans-66102.5176.5-65.2173.5000106.9P133P133-L135 PolarHBondContact O-N 3.28Å
136H66.5Low62Low145 Ų145144.5 Ų144.567%0.67176%0.755SS**  trans-70141.3164.1-89.7-96.8000108K134 D138 V139K134-H136 PolarHBondContact O-N 2.9Å; H136-D138 PolarHBondContact O-N 2.96Å; H136-V139 HydrophobicContact CB-CG2 4.18Å; H136-V139 WeakPolarHBondContact O-CB 3.27Å; H136-V139 WeakPolarHBondContact O-CG2 3.32Å; H136-V139 PolarHBondContact O-N 3.28Å
137L67.5Low62.9Low190 Ų190136.2 Ų136.2100%0.99574%0.737SS**THydrogen-bonded Turntrans-60.3-15.6-178.7-114.975.8000113.6
138D73.3Confident63.9Low156 Ų156133.8 Ų133.883%0.83475%0.746SS**THydrogen-bonded Turntrans-10225.3-177.5-145.514.6000112.9H136 T140H136-D138 PolarHBondContact O-N 2.96Å; D138-T140 PolarHBondContact O-N 3.49Å
139V69.6Low65.1Low71 Ų71132.8 Ų132.843%0.4374%0.736SS.*  trans-77.7113.4179.9170.20000109.9H136 H141H136-V139 HydrophobicContact CB-CG2 4.18Å; H136-V139 WeakPolarHBondContact O-CB 3.27Å; H136-V139 WeakPolarHBondContact O-CG2 3.32Å; H136-V139 PolarHBondContact O-N 3.28Å; V139-H141 PolarHBondContact O-N 3.3Å
140T69.8Low66.8Low133 Ų133124.8 Ų124.882%0.81671%0.711SS**  trans-69.7121.3166.2-440000109.5D138D138-T140 PolarHBondContact O-N 3.49Å
141H71Confident68.7Low176 Ų176124.2 Ų124.282%0.81570%0.701SS**  trans-74.7135.1173-64.1-69.4000110.9V139V139-H141 PolarHBondContact O-N 3.3Å
142G70.2Confident70.5Confident66 Ų66125.6 Ų125.668%0.6871%0.707SS**SBendtrans140.4160.517800000112.2P144G142-P144 WeakPolarHBondContact O-CD 3.47Å
143V69.1Low72.2Confident144 Ų144122.9 Ų122.987%0.87368%0.683SS**  trans-86.9111.8169-178.90000106.6N145V143-N145 PolarHBondContact O-N 2.91Å
144P70Confident73.7Confident109 Ų109121.7 Ų121.771%0.70867%0.67SS**  trans-60136.5173.725.8-32.9000108.4G142 K146G142-P144 WeakPolarHBondContact O-CD 3.47Å; P144-K146 PolarHBondContact O-N 2.93Å
145N69.7Low75.2Confident166 Ų166120 Ų12089%0.88867%0.668SS**  trans-70.881.3174.1-169.410.1000108.7V143 A147V143-N145 PolarHBondContact O-N 2.91Å; N145-A147 PolarHBondContact O-N 3.46Å
146K69.8Low76.7Confident165 Ų165115.5 Ų115.572%0.71765%0.649SS**  trans-67.7120.4174.2-174.4-179.9177.1-179.60107.2P144 S148P144-K146 PolarHBondContact O-N 2.93Å; K146-S148 PolarHBondContact O-N 2.73Å
147A72.1Confident77.9Confident60 Ų60113.1 Ų113.150%0.49664%0.641SS.*  trans-51.9129.8169.700000109N145 T149N145-A147 PolarHBondContact O-N 3.46Å; A147-T149 PolarHBondContact O-N 3.11Å
148S71.9Confident79.2Confident121 Ų121107.3 Ų107.385%0.84661%0.608SS**SBendtrans-54.1-30.9-175.445.60000112.7K146K146-S148 PolarHBondContact O-N 2.73Å
149T76.3Confident80.1Confident79 Ų79104.9 Ų104.949%0.48559%0.588SS.*SBendtrans-137106.2171.9400000108.9A147 I151A147-T149 PolarHBondContact O-N 3.11Å; T149-I151 PolarHBondContact O-N 2.77Å
150P83.8Confident81.3Confident35 Ų35107 Ų10723%0.22759%0.593CS.*  trans-60.9111.4176.923.5-32.3000109.3Q152 E153P150-Q152 PolarHBondContact O-N 3.5Å; P150-Q152 VanDerWaalsContact O-N 3.09Å; P150-E153 HydrophobicContact CB-CG 4.04Å; P150-E153 HydrophobicContact CG-CB 4Å; P150-E153 HydrophobicContact CG-CG 3.5Å; P150-E153 VanDerWaalsContact CG-CG 3.5Å; P150-E153 VanDerWaalsContact CG-OE1 3.3Å; P150-E153 WeakPolarHBondContact CG-OE1 3.46Å; P150-E153 WeakPolarHBondContact O-CB 3.46Å; P150-E153 PolarHBondContact O-N 3.44Å
151I86.1Confident82.5Confident126 Ų126106.7 Ų106.765%0.64658%0.58SS**Hα-helixtrans-57.1-31.3-172.7-166.1159.4000112.5T149 E153 I154 L155T149-I151 PolarHBondContact O-N 2.77Å; I151-E153 VanDerWaalsContact C-N 3.32Å; I151-E153 PolarHBondContact O-N 3.28Å; I151-I154 PolarHBondContact O-N 3.37Å; I151-L155 HydrophobicContact CG1-CD1 4.2Å; I151-L155 HydrophobicContact CG1-CG 4.33Å; I151-L155 WeakPolarHBondContact O-CG 3.43Å; I151-L155 PolarHBondContact O-N 3.38Å
152Q89.7Confident83.6Confident155 Ų155101.8 Ų101.872%0.72456%0.56SS**Hα-helixtrans-59.5-38.4173.4-176.1-177.1-34.600112.8P150 I154 L155 S156P150-Q152 PolarHBondContact O-N 3.5Å; P150-Q152 VanDerWaalsContact O-N 3.09Å; Q152-I154 VanDerWaalsContact C-N 3.31Å; Q152-I154 PolarHBondContact O-N 3.14Å; Q152-L155 PolarHBondContact O-N 2.94Å; Q152-S156 VanDerWaalsContact O-CB 3.28Å; Q152-S156 WeakPolarHBondContact O-CB 3.41Å; Q152-S156 PolarHBondContact O-N 3.23Å; Q152-S156 PolarHBondContact O-OG 3.15Å
153E91.4Very high84.8Confident50 Ų50106.2 Ų106.223%0.23456%0.556CS.*Hα-helixtrans-68.7-33.4178.5-64.1-168.5-16400111.6P150 I151 S156 N157 K158 Y159P150-E153 HydrophobicContact CB-CG 4.04Å; P150-E153 HydrophobicContact CG-CB 4Å; P150-E153 HydrophobicContact CG-CG 3.5Å; P150-E153 VanDerWaalsContact CG-CG 3.5Å; P150-E153 VanDerWaalsContact CG-OE1 3.3Å; P150-E153 WeakPolarHBondContact CG-OE1 3.46Å; P150-E153 WeakPolarHBondContact O-CB 3.46Å; P150-E153 PolarHBondContact O-N 3.44Å; I151-E153 VanDerWaalsContact C-N 3.32Å; I151-E153 PolarHBondContact O-N 3.28Å; E153-S156 WeakPolarHBondContact CA-OG 3.47Å; E153-S156 PolarHBondContact O-OG 2.67Å; E153-N157 PolarHBondContact O-N 3.37Å; E153-K158 HydrophobicContact CB-CB 4.08Å; E153-K158 HydrophobicContact CB-CD 4.07Å; E153-K158 HydrophobicContact CG-CD 3.65Å; E153-K158 WeakPolarHBondContact O-CB 3.42Å; E153-K158 PolarHBondContact O-N 3.09Å; E153-K158 IonicContact OE1-NZ 3.05Å; E153-K158 IonicContact OE2-NZ 2.95Å; E153-K158 PolarHBondContact OE2-NZ 2.85Å; E153-Y159 HydrophobicContact CB-CE2 3.92Å; E153-Y159 WeakPolarHBondContact OE2-CE1 3.28Å; E153-Y159 VanDerWaalsContact OE2-CZ 3.25Å; E153-Y159 PolarHBondContact OE2-OH 3.48Å
154I88.5Confident86.1Confident86 Ų86102.9 Ų102.944%0.44153%0.533SS..Hα-helixtrans-69.1-51.5174.2-60.2175.6000109.6I151 Q152 S156 N157 Y159I151-I154 PolarHBondContact O-N 3.37Å; Q152-I154 VanDerWaalsContact C-N 3.31Å; Q152-I154 PolarHBondContact O-N 3.14Å; I154-S156 PolarHBondContact O-N 3.17Å; I154-N157 PolarHBondContact O-N 2.96Å; I154-N157 VanDerWaalsContact O-N 3.13Å; I154-Y159 HydrophobicContact CG1-CE2 4.02Å
155L91.8Very high87.4Confident138 Ų138101.8 Ų101.872%0.72352%0.521SS*.Hα-helixtrans-61.8-29.7-179.2-68.5173.8000113I151 Q152I151-L155 HydrophobicContact CG1-CD1 4.2Å; I151-L155 HydrophobicContact CG1-CG 4.33Å; I151-L155 WeakPolarHBondContact O-CG 3.43Å; I151-L155 PolarHBondContact O-N 3.38Å; Q152-L155 PolarHBondContact O-N 2.94Å
156S92.3Very high88.6Confident54 Ų5496.3 Ų96.338%0.37850%0.499SS..THydrogen-bonded Turntrans-90.56.3179.359.30000114.7Q152 E153 I154 K158Q152-S156 VanDerWaalsContact O-CB 3.28Å; Q152-S156 WeakPolarHBondContact O-CB 3.41Å; Q152-S156 PolarHBondContact O-N 3.23Å; Q152-S156 PolarHBondContact O-OG 3.15Å; E153-S156 WeakPolarHBondContact CA-OG 3.47Å; E153-S156 PolarHBondContact O-OG 2.67Å; I154-S156 PolarHBondContact O-N 3.17Å; S156-K158 PolarHBondContact O-N 3.03Å; S156-K158 VanDerWaalsContact O-N 3.16Å
157N92.1Very high89.8Confident95 Ų9592.5 Ų92.551%0.50848%0.483SS..THydrogen-bonded Turntrans51.431.9-174.4-69.2-25.1000113.4E153 I154 Y159 Q160 K161E153-N157 PolarHBondContact O-N 3.37Å; I154-N157 PolarHBondContact O-N 2.96Å; I154-N157 VanDerWaalsContact O-N 3.13Å; N157-Y159 VanDerWaalsContact C-N 3.33Å; N157-Y159 PolarHBondContact O-N 3.25Å; N157-Q160 HydrophobicContact CB-CB 4.42Å; N157-Q160 WeakPolarHBondContact O-CB 3.46Å; N157-Q160 PolarHBondContact O-N 3.13Å; N157-K161 PolarHBondContact O-N 3.43Å
158K94Very high90.9Very high69 Ų6994.8 Ų94.830%0.349%0.485SS..Hα-helixtrans-59.5-43-176.2179.1179.5164-71.20111.8E153 S156 Q160 K161 D162E153-K158 HydrophobicContact CB-CB 4.08Å; E153-K158 HydrophobicContact CB-CD 4.07Å; E153-K158 HydrophobicContact CG-CD 3.65Å; E153-K158 WeakPolarHBondContact O-CB 3.42Å; E153-K158 PolarHBondContact O-N 3.09Å; E153-K158 IonicContact OE1-NZ 3.05Å; E153-K158 IonicContact OE2-NZ 2.95Å; E153-K158 PolarHBondContact OE2-NZ 2.85Å; S156-K158 PolarHBondContact O-N 3.03Å; S156-K158 VanDerWaalsContact O-N 3.16Å; K158-Q160 VanDerWaalsContact C-N 3.28Å; K158-Q160 PolarHBondContact O-N 3.46Å; K158-K161 WeakPolarHBondContact O-CB 3.47Å; K158-K161 PolarHBondContact O-N 3.12Å; K158-K161 VanDerWaalsContact O-N 3.11Å; K158-D162 IonicContact NZ-OD2 2.67Å; K158-D162 PolarHBondContact NZ-OD2 3.02Å; K158-D162 WeakPolarHBondContact O-CB 3.2Å; K158-D162 VanDerWaalsContact O-CG 3.3Å; K158-D162 PolarHBondContact O-N 3.02Å
159Y92.7Very high91.9Very high105 Ų10595 Ų9541%0.41247%0.471SS..Hα-helixtrans-62.8-33.6179.9-61.3-61.3000113.4E153 I154 N157 W163E153-Y159 HydrophobicContact CB-CE2 3.92Å; E153-Y159 WeakPolarHBondContact OE2-CE1 3.28Å; E153-Y159 VanDerWaalsContact OE2-CZ 3.25Å; E153-Y159 PolarHBondContact OE2-OH 3.48Å; I154-Y159 HydrophobicContact CG1-CE2 4.02Å; N157-Y159 VanDerWaalsContact C-N 3.33Å; N157-Y159 PolarHBondContact O-N 3.25Å; Y159-W163 WeakPolarHBondContact O-CB 3.32Å; Y159-W163 PolarHBondContact O-N 2.87Å
160Q94.3Very high92.7Very high114 Ų11497.7 Ų97.753%0.53348%0.476SS..Hα-helixtrans-67-45174-179-177.9-10.400110.6N157 K158 W163 I164N157-Q160 HydrophobicContact CB-CB 4.42Å; N157-Q160 WeakPolarHBondContact O-CB 3.46Å; N157-Q160 PolarHBondContact O-N 3.13Å; K158-Q160 VanDerWaalsContact C-N 3.28Å; K158-Q160 PolarHBondContact O-N 3.46Å; Q160-W163 PolarHBondContact O-N 2.97Å; Q160-I164 HydrophobicContact CG-CD1 4.14Å; Q160-I164 WeakPolarHBondContact O-CG1 3.34Å; Q160-I164 PolarHBondContact O-N 3.17Å
161K95.6Very high93Very high128 Ų12898.9 Ų98.956%0.55749%0.485SS*.Hα-helixtrans-61.3-48.4176.2-65.3175.2-178.5169.40111.4N157 K158 W163 I164 D165N157-K161 PolarHBondContact O-N 3.43Å; K158-K161 WeakPolarHBondContact O-CB 3.47Å; K158-K161 PolarHBondContact O-N 3.12Å; K158-K161 VanDerWaalsContact O-N 3.11Å; K161-W163 PolarHBondContact O-N 2.7Å; K161-I164 PolarHBondContact O-N 3.24Å; K161-I164 VanDerWaalsContact O-N 3.15Å; K161-D165 PolarHBondContact O-N 3.39Å
162D94.8Very high93.3Very high72 Ų7297 Ų9739%0.38548%0.476SS..Hα-helixtrans-57.1-39.2177.3-70.1-13.1000111.3K158 A166K158-D162 IonicContact NZ-OD2 2.67Å; K158-D162 PolarHBondContact NZ-OD2 3.02Å; K158-D162 WeakPolarHBondContact O-CB 3.2Å; K158-D162 VanDerWaalsContact O-CG 3.3Å; K158-D162 PolarHBondContact O-N 3.02Å; D162-A166 VanDerWaalsContact O-CB 3.3Å; D162-A166 WeakPolarHBondContact O-CB 3.44Å; D162-A166 PolarHBondContact O-N 2.79Å
163W95.3Very high93.4Very high160 Ų16096.6 Ų96.661%0.60647%0.472SS*.Hα-helixtrans-68.9-44.3176.7179.785.5000112.7Y159 Q160 K161 A166 Q167Y159-W163 WeakPolarHBondContact O-CB 3.32Å; Y159-W163 PolarHBondContact O-N 2.87Å; Q160-W163 PolarHBondContact O-N 2.97Å; K161-W163 PolarHBondContact O-N 2.7Å; W163-A166 PolarHBondContact O-N 3.45Å; W163-Q167 HydrophobicContact CD2-CG 4.18Å; W163-Q167 HydrophobicContact CE3-CG 4.38Å; W163-Q167 HydrophobicContact CH2-CG 4.09Å; W163-Q167 HydrophobicContact CZ2-CG 3.86Å; W163-Q167 HydrophobicContact CZ3-CG 4.34Å; W163-Q167 WeakPolarHBondContact O-CG 3.34Å; W163-Q167 PolarHBondContact O-N 2.99Å
164I96.5Very high93.3Very high74 Ų7498 Ų9838%0.37948%0.484SS..Hα-helixtrans-59.7-49.5175.6-67.5168.4000109.6Q160 K161 A166 Q167 M168Q160-I164 HydrophobicContact CG-CD1 4.14Å; Q160-I164 WeakPolarHBondContact O-CG1 3.34Å; Q160-I164 PolarHBondContact O-N 3.17Å; K161-I164 PolarHBondContact O-N 3.24Å; K161-I164 VanDerWaalsContact O-N 3.15Å; I164-A166 VanDerWaalsContact C-N 3.26Å; I164-A166 PolarHBondContact O-N 2.76Å; I164-Q167 WeakPolarHBondContact O-CB 3.36Å; I164-Q167 PolarHBondContact O-N 2.93Å; I164-M168 HydrophobicContact CG2-CG 4.36Å; I164-M168 WeakPolarHBondContact O-CG 3.3Å; I164-M168 PolarHBondContact O-N 3.38Å
165D96.1Very high93.3Very high86 Ų8699.4 Ų99.446%0.4649%0.488SS..Hα-helixtrans-58.2-38.8177.1-80.30.7000112.2K161 M168 K169K161-D165 PolarHBondContact O-N 3.39Å; D165-M168 PolarHBondContact O-N 3.28Å; D165-K169 WeakPolarHBondContact O-CB 3.31Å; D165-K169 VanDerWaalsContact O-CG 3.28Å; D165-K169 WeakPolarHBondContact O-CG 3.44Å; D165-K169 PolarHBondContact O-N 3.4Å
166A95.5Very high93.2Very high51 Ų5195.8 Ų95.842%0.42148%0.478SS..Hα-helixtrans-66.7-37.2175.700000112.4D162 W163 I164 K170D162-A166 VanDerWaalsContact O-CB 3.3Å; D162-A166 WeakPolarHBondContact O-CB 3.44Å; D162-A166 PolarHBondContact O-N 2.79Å; W163-A166 PolarHBondContact O-N 3.45Å; I164-A166 VanDerWaalsContact C-N 3.26Å; I164-A166 PolarHBondContact O-N 2.76Å; A166-K170 WeakPolarHBondContact O-CB 3.43Å; A166-K170 PolarHBondContact O-N 3.02Å; A166-K170 VanDerWaalsContact O-N 3.13Å
167Q94.9Very high92.8Very high84 Ų84100.5 Ų100.539%0.39349%0.492SS..Hα-helixtrans-65.6-46173.5-66.6-50.2-54.100111.3W163 I164 K169 K170 S171W163-Q167 HydrophobicContact CD2-CG 4.18Å; W163-Q167 HydrophobicContact CE3-CG 4.38Å; W163-Q167 HydrophobicContact CH2-CG 4.09Å; W163-Q167 HydrophobicContact CZ2-CG 3.86Å; W163-Q167 HydrophobicContact CZ3-CG 4.34Å; W163-Q167 WeakPolarHBondContact O-CG 3.34Å; W163-Q167 PolarHBondContact O-N 2.99Å; I164-Q167 WeakPolarHBondContact O-CB 3.36Å; I164-Q167 PolarHBondContact O-N 2.93Å; Q167-K169 PolarHBondContact O-N 2.87Å; Q167-K170 WeakPolarHBondContact O-CA 3.41Å; Q167-K170 WeakPolarHBondContact O-CB 3.47Å; Q167-K170 PolarHBondContact O-N 3Å; Q167-S171 PolarHBondContact O-N 3.09Å; Q167-S171 PolarHBondContact O-OG 3.21Å
168M94.3Very high92.3Very high108 Ų108100.6 Ų100.653%0.53249%0.492SS..Hα-helixtrans-60.5-46.9178-61.4-61.8-83.900111.1I164 D165 K170 S171 D172I164-M168 HydrophobicContact CG2-CG 4.36Å; I164-M168 WeakPolarHBondContact O-CG 3.3Å; I164-M168 PolarHBondContact O-N 3.38Å; D165-M168 PolarHBondContact O-N 3.28Å; M168-K170 PolarHBondContact O-N 3.07Å; M168-K170 VanDerWaalsContact O-N 3.14Å; M168-S171 WeakPolarHBondContact CA-OG 3.5Å; M168-S171 PolarHBondContact O-N 3.39Å; M168-S171 VanDerWaalsContact O-N 3.12Å; M168-S171 PolarHBondContact O-OG 3.46Å; M168-D172 PolarHBondContact O-N 2.92Å
169K94Very high91.6Very high126 Ų126101.9 Ų101.955%0.54850%0.502SS..Hα-helixtrans-60.7-28.4175-73.5170.8-174.91680113D165 Q167 K173D165-K169 WeakPolarHBondContact O-CB 3.31Å; D165-K169 VanDerWaalsContact O-CG 3.28Å; D165-K169 WeakPolarHBondContact O-CG 3.44Å; D165-K169 PolarHBondContact O-N 3.4Å; Q167-K169 PolarHBondContact O-N 2.87Å; K169-K173 WeakPolarHBondContact O-CB 3.31Å; K169-K173 WeakPolarHBondContact O-CD 3.36Å; K169-K173 WeakPolarHBondContact O-CG 3.22Å; K169-K173 PolarHBondContact O-N 3.49Å
170K92.2Very high90.8Very high136 Ų13698.2 Ų98.259%0.59150%0.496SS*.Hα-helixtrans-75.3-42.4176.6-169.8-179176.8-173.10110.9A166 Q167 M168 V174A166-K170 WeakPolarHBondContact O-CB 3.43Å; A166-K170 PolarHBondContact O-N 3.02Å; A166-K170 VanDerWaalsContact O-N 3.13Å; Q167-K170 WeakPolarHBondContact O-CA 3.41Å; Q167-K170 WeakPolarHBondContact O-CB 3.47Å; Q167-K170 PolarHBondContact O-N 3Å; M168-K170 PolarHBondContact O-N 3.07Å; M168-K170 VanDerWaalsContact O-N 3.14Å; K170-V174 WeakPolarHBondContact O-CG2 3.09Å; K170-V174 PolarHBondContact O-N 3.31Å
171S91.5Very high89.4Confident59 Ų5998.1 Ų98.141%0.41350%0.499SS..Hα-helixtrans-63.1-46.2173.350.90000111.4Q167 M168 K173 V174 E175Q167-S171 PolarHBondContact O-N 3.09Å; Q167-S171 PolarHBondContact O-OG 3.21Å; M168-S171 WeakPolarHBondContact CA-OG 3.5Å; M168-S171 PolarHBondContact O-N 3.39Å; M168-S171 VanDerWaalsContact O-N 3.12Å; M168-S171 PolarHBondContact O-OG 3.46Å; S171-K173 VanDerWaalsContact C-N 3.29Å; S171-K173 PolarHBondContact O-N 2.8Å; S171-V174 WeakPolarHBondContact O-CA 3.25Å; S171-V174 WeakPolarHBondContact O-CB 3.25Å; S171-V174 PolarHBondContact O-N 2.69Å; S171-E175 PolarHBondContact O-N 3.34Å
172D92.2Very high87.8Confident87 Ų87100.3 Ų100.347%0.46551%0.508SS..Hα-helixtrans-59.9-40.2-179.9-61.7-10.7000111.5M168 V174 E175 A176M168-D172 PolarHBondContact O-N 2.92Å; D172-V174 VanDerWaalsContact C-N 3.32Å; D172-V174 PolarHBondContact O-N 2.83Å; D172-E175 PolarHBondContact O-N 2.81Å; D172-A176 WeakPolarHBondContact O-CB 3.4Å; D172-A176 PolarHBondContact O-N 3.31Å
173K91.3Very high86.1Confident147 Ų147101.4 Ų101.464%0.63952%0.522SS*.Hα-helixtrans-65.1-34.9175.2-79174.9-175.6-178.90112.8K169 S171 K177K169-K173 WeakPolarHBondContact O-CB 3.31Å; K169-K173 WeakPolarHBondContact O-CD 3.36Å; K169-K173 WeakPolarHBondContact O-CG 3.22Å; K169-K173 PolarHBondContact O-N 3.49Å; S171-K173 VanDerWaalsContact C-N 3.29Å; S171-K173 PolarHBondContact O-N 2.8Å; K173-K177 WeakPolarHBondContact O-CB 3.42Å; K173-K177 VanDerWaalsContact O-CG 3.27Å; K173-K177 WeakPolarHBondContact O-CG 3.47Å; K173-K177 PolarHBondContact O-N 3.1Å
174V90Very high84Confident79 Ų79100.1 Ų100.148%0.47952%0.524SS..Hα-helixtrans-72.1-45.5176.6171.90000109.7K170 S171 D172 K177 L178K170-V174 WeakPolarHBondContact O-CG2 3.09Å; K170-V174 PolarHBondContact O-N 3.31Å; S171-V174 WeakPolarHBondContact O-CA 3.25Å; S171-V174 WeakPolarHBondContact O-CB 3.25Å; S171-V174 PolarHBondContact O-N 2.69Å; D172-V174 VanDerWaalsContact C-N 3.32Å; D172-V174 PolarHBondContact O-N 2.83Å; V174-K177 WeakPolarHBondContact O-CB 3.38Å; V174-K177 PolarHBondContact O-N 2.99Å; V174-L178 HydrophobicContact CG1-CD1 4.14Å; V174-L178 WeakPolarHBondContact O-CG 3.28Å; V174-L178 PolarHBondContact O-N 3.06Å
175E88.7Confident81.8Confident115 Ų115100.6 Ų100.654%0.53753%0.534SS..Hα-helixtrans-61.5-46.6176.8-172.4175.1-176.900111.6S171 D172 K177 L178 L179S171-E175 PolarHBondContact O-N 3.34Å; D172-E175 PolarHBondContact O-N 2.81Å; E175-K177 VanDerWaalsContact C-N 3.28Å; E175-K177 PolarHBondContact O-N 3.06Å; E175-L178 PolarHBondContact O-N 2.81Å; E175-L179 HydrophobicContact CG-CD1 4.08Å; E175-L179 HydrophobicContact CG-CG 4.37Å; E175-L179 WeakPolarHBondContact O-CB 3.27Å; E175-L179 WeakPolarHBondContact O-CG 3.45Å; E175-L179 PolarHBondContact O-N 3.37Å
176A87.7Confident79.7Confident62 Ų62107 Ų10751%0.51255%0.551SS.*Hα-helixtrans-60.1-36175.500000112.5D172 G180D172-A176 WeakPolarHBondContact O-CB 3.4Å; D172-A176 PolarHBondContact O-N 3.31Å; A176-G180 PolarHBondContact O-N 3.2Å
177K84.9Confident77.5Confident154 Ų154115.4 Ų115.467%0.6757%0.572SS**Hα-helixtrans-67.3-41.6172.7-79.2178.2-179.8-173.30111.9K173 V174 E175 G180 L181K173-K177 WeakPolarHBondContact O-CB 3.42Å; K173-K177 VanDerWaalsContact O-CG 3.27Å; K173-K177 WeakPolarHBondContact O-CG 3.47Å; K173-K177 PolarHBondContact O-N 3.1Å; V174-K177 WeakPolarHBondContact O-CB 3.38Å; V174-K177 PolarHBondContact O-N 2.99Å; E175-K177 VanDerWaalsContact C-N 3.28Å; E175-K177 PolarHBondContact O-N 3.06Å; K177-G180 PolarHBondContact O-N 3.18Å; K177-L181 WeakPolarHBondContact O-CB 3.37Å; K177-L181 WeakPolarHBondContact O-CD1 3.04Å; K177-L181 VanDerWaalsContact O-CG 3.23Å; K177-L181 WeakPolarHBondContact O-CG 3.5Å; K177-L181 PolarHBondContact O-N 3Å
178L81.4Confident75.4Confident96 Ų96117.2 Ų117.250%0.50359%0.589SS.*Hα-helixtrans-67.5-42.6178-70172000111.7V174 E175 L181 K182V174-L178 HydrophobicContact CG1-CD1 4.14Å; V174-L178 WeakPolarHBondContact O-CG 3.28Å; V174-L178 PolarHBondContact O-N 3.06Å; E175-L178 PolarHBondContact O-N 2.81Å; L178-L181 PolarHBondContact O-N 3.01Å; L178-K182 WeakPolarHBondContact O-CG 3.34Å; L178-K182 PolarHBondContact O-N 3.14Å
179L80.5Confident73.3Confident97 Ų97119.5 Ų119.551%0.50860%0.603SS.*Hα-helixtrans-63.8-43.1172.8-70.9174.1000110.9E175 L181 K182 S183E175-L179 HydrophobicContact CG-CD1 4.08Å; E175-L179 HydrophobicContact CG-CG 4.37Å; E175-L179 WeakPolarHBondContact O-CB 3.27Å; E175-L179 WeakPolarHBondContact O-CG 3.45Å; E175-L179 PolarHBondContact O-N 3.37Å; L179-L181 VanDerWaalsContact C-N 3.32Å; L179-L181 PolarHBondContact O-N 3.26Å; L179-K182 CarbonylContact O-C 3.55Å; L179-K182 PolarHBondContact O-N 3.34Å; L179-K182 VanDerWaalsContact O-N 3.16Å; L179-S183 WeakPolarHBondContact O-CB 3.43Å; L179-S183 PolarHBondContact O-N 3.04Å; L179-S183 PolarHBondContact O-OG 3.12Å
180G74.8Confident71.5Confident28 Ų28119.6 Ų119.629%0.28961%0.605SS.*Hα-helixtrans-60.5-38.817400000112.9A176 K177 S183 M184A176-G180 PolarHBondContact O-N 3.2Å; K177-G180 PolarHBondContact O-N 3.18Å; G180-S183 WeakPolarHBondContact CA-OG 3.43Å; G180-S183 PolarHBondContact O-OG 3.26Å; G180-M184 VanDerWaalsContact O-CB 3.26Å; G180-M184 WeakPolarHBondContact O-CB 3.41Å; G180-M184 WeakPolarHBondContact O-CG 3.5Å; G180-M184 PolarHBondContact O-N 3.06Å
181L65.1Low69.8Low112 Ų112118.1 Ų118.159%0.58661%0.609SS**Hα-helixtrans-68.6-36.1174.4-75.6161000112.2K177 L178 L179 M184K177-L181 WeakPolarHBondContact O-CB 3.37Å; K177-L181 WeakPolarHBondContact O-CD1 3.04Å; K177-L181 VanDerWaalsContact O-CG 3.23Å; K177-L181 WeakPolarHBondContact O-CG 3.5Å; K177-L181 PolarHBondContact O-N 3Å; L178-L181 PolarHBondContact O-N 3.01Å; L179-L181 VanDerWaalsContact C-N 3.32Å; L179-L181 PolarHBondContact O-N 3.26Å; L181-M184 HydrophobicContact CD2-CE 4.12Å
182K62Low68.3Low174 Ų174117.6 Ų117.676%0.75760%0.602SS**Hα-helixtrans-73.6-36.5175.2-71.4176-179.2-178.70112.4L178 L179L178-K182 WeakPolarHBondContact O-CG 3.34Å; L178-K182 PolarHBondContact O-N 3.14Å; L179-K182 CarbonylContact O-C 3.55Å; L179-K182 PolarHBondContact O-N 3.34Å; L179-K182 VanDerWaalsContact O-N 3.16Å
183S58.4Low67.2Low95 Ų95117.3 Ų117.366%0.66460%0.604SS**Hα-helixtrans-81.5-18.8177.474.60000112.6L179 G180 S185L179-S183 WeakPolarHBondContact O-CB 3.43Å; L179-S183 PolarHBondContact O-N 3.04Å; L179-S183 PolarHBondContact O-OG 3.12Å; G180-S183 WeakPolarHBondContact CA-OG 3.43Å; G180-S183 PolarHBondContact O-OG 3.26Å; S183-S185 PolarHBondContact O-N 2.91Å
184M51.3Low66.1Low133 Ų133112.1 Ų112.166%0.65558%0.583SS**  trans-71.262.4160.1-76.9-152.4-49.600109.7G180 L181 R186G180-M184 VanDerWaalsContact O-CB 3.26Å; G180-M184 WeakPolarHBondContact O-CB 3.41Å; G180-M184 WeakPolarHBondContact O-CG 3.5Å; G180-M184 PolarHBondContact O-N 3.06Å; L181-M184 HydrophobicContact CD2-CE 4.12Å; M184-R186 VanDerWaalsContact C-N 3.27Å; M184-R186 PolarHBondContact O-N 3.02Å
185S50.9Low65.3Low84 Ų84111.6 Ų111.659%0.58759%0.587SS**  trans-55.699.8151.7179.10000107.2S183 R187S183-S185 PolarHBondContact O-N 2.91Å; S185-R187 WeakPolarHBondContact O-CG 3.3Å; S185-R187 PolarHBondContact O-N 3.14Å
186R51.9Low64.5Low219 Ų219109.7 Ų109.783%0.82658%0.579SS**SBendtrans35.627.4153.1-75.3-175.7-76.9-164-3.1119.4M184 V188M184-R186 VanDerWaalsContact C-N 3.27Å; M184-R186 PolarHBondContact O-N 3.02Å; R186-V188 PolarHBondContact O-N 3.25Å
187R50.6Low63.8Low228 Ų228107.2 Ų107.286%0.8656%0.557SS**  trans-75.730.1170.3-60-162-145.6-167.55.6113.1S185 N189S185-R187 WeakPolarHBondContact O-CG 3.3Å; S185-R187 PolarHBondContact O-N 3.14Å; R187-N189 PolarHBondContact O-N 3.21Å
188V49.8Very low63.2Low123 Ų123103.3 Ų103.375%0.74554%0.538SS*.  trans-75.893.9159.3-178.20000104.4R186 H190R186-V188 PolarHBondContact O-N 3.25Å; V188-H190 HydrophobicContact CG1-CB 4.4Å; V188-H190 PolarHBondContact O-N 3.32Å
189N51.2Low62.8Low155 Ų155108.8 Ų108.883%0.82955%0.552SS**  trans-64.561.6169-66.8-20.5000109.7R187R187-N189 PolarHBondContact O-N 3.21Å
190H54.4Low62.3Low129 Ų129108.3 Ų108.360%0.59755%0.551SS**  trans-82.4127.6155.9-149.664.5000105.3V188 D192V188-H190 HydrophobicContact CG1-CB 4.4Å; V188-H190 PolarHBondContact O-N 3.32Å; H190-D192 PolarHBondContact O-N 2.92Å
191P56.4Low62Low104 Ų104109.3 Ų109.368%0.67555%0.553SS**  trans-55.9118.9173.923.8-31.6000107.4T193P191-T193 PolarHBondContact O-N 3.3Å; P191-T193 PolarHBondContact O-OG1 2.97Å
192D61.2Low62Low49 Ų49109 Ų10926%0.26255%0.549SS..  trans-50.8103.9177.4-75.75.5000108.2H190 M196 V197H190-D192 PolarHBondContact O-N 2.92Å; D192-M196 HydrophobicContact CB-CE 3.98Å; D192-M196 WeakPolarHBondContact OD1-CE 3.26Å; D192-V197 HydrophobicContact CB-CG2 3.78Å
193T69.1Low62.1Low81 Ų81108.9 Ų108.950%0.49755%0.549SS..  trans-68.5144.5177.7-38.40000107.3P191 A195 M196 V197P191-T193 PolarHBondContact O-N 3.3Å; P191-T193 PolarHBondContact O-OG1 2.97Å; T193-A195 PolarHBondContact O-N 3.24Å; T193-M196 WeakPolarHBondContact O-CA 3.39Å; T193-M196 WeakPolarHBondContact O-CB 3.47Å; T193-M196 PolarHBondContact O-N 2.87Å; T193-V197 PolarHBondContact O-N 2.86Å
194D68.6Low62.2Low37 Ų37114.3 Ų114.320%0.19856%0.56CS.*Hα-helixtrans-46.9-36.1-179.8178.241.5000113V197 R198 S246D194-V197 PolarHBondContact O-N 3.34Å; D194-R198 WeakPolarHBondContact O-CG 3.44Å; D194-R198 PolarHBondContact O-N 3.14Å; D194-R198 IonicContact OD1-CZ 2.78Å; D194-R198 IonicContact OD1-NE 3.26Å; D194-R198 IonicContact OD1-NH2 2.9Å; D194-R198 PolarHBondContact OD1-NH2 2.76Å; D194-R198 IonicContact OD2-CZ 2.85Å; D194-R198 IonicContact OD2-NE 3.97Å; D194-R198 IonicContact OD2-NH1 3.02Å; D194-R198 PolarHBondContact OD2-NH1 2.73Å; D194-R198 IonicContact OD2-NH2 3.51Å; D194-R198 PolarHBondContact OD2-NH2 3.43Å; D194-S246 VanDerWaalsContact OD1-CB 3.26Å; D194-S246 WeakPolarHBondContact OD1-CB 3.27Å; D194-S246 PolarHBondContact OD1-OG 2.99Å
195A73.5Confident62.7Low68 Ų68114.4 Ų114.456%0.56256%0.564SS**Hα-helixtrans-62.5-39.2173.600000114.1T193 R199T193-A195 PolarHBondContact O-N 3.24Å; A195-R199 WeakPolarHBondContact O-CB 3.35Å; A195-R199 PolarHBondContact O-N 3.07Å
196M71.7Confident63.4Low76 Ų76119.6 Ų119.637%0.37458%0.576SS.*Hα-helixtrans-70.5-42.5177.8-168.21759200111.4D192 T193 R199 N200D192-M196 HydrophobicContact CB-CE 3.98Å; D192-M196 WeakPolarHBondContact OD1-CE 3.26Å; T193-M196 WeakPolarHBondContact O-CA 3.39Å; T193-M196 WeakPolarHBondContact O-CB 3.47Å; T193-M196 PolarHBondContact O-N 2.87Å; M196-R199 PolarHBondContact O-N 2.64Å; M196-N200 PolarHBondContact O-N 2.77Å
197V71.3Confident64.3Low10 Ų10118.4 Ų118.46%0.06158%0.58CS.*Hα-helixtrans-59.5-49.3175-179.10000110D192 T193 D194 R199 N200 C201 R257D192-V197 HydrophobicContact CB-CG2 3.78Å; T193-V197 PolarHBondContact O-N 2.86Å; D194-V197 PolarHBondContact O-N 3.34Å; V197-R199 VanDerWaalsContact C-N 3.31Å; V197-R199 PolarHBondContact O-N 3.08Å; V197-N200 PolarHBondContact O-N 2.77Å; V197-C201 VanDerWaalsContact O-CB 3.25Å; V197-C201 WeakPolarHBondContact O-CB 3.09Å; V197-C201 PolarHBondContact O-N 2.74Å; V197-C201 PolarHBondContact O-SG 3.27Å; V197-C201 VanDerWaalsContact O-SG 3.39Å; V197-R257 HydrophobicContact CG1-CB 4.3Å
198R72.9Confident65.3Low72 Ų72114.3 Ų114.327%0.27257%0.57SS.*Hα-helixtrans-56.5-44.9175.4-74-178.3-176.1139.112.3111.9D194 N200 C201 M202D194-R198 WeakPolarHBondContact O-CG 3.44Å; D194-R198 PolarHBondContact O-N 3.14Å; D194-R198 IonicContact OD1-CZ 2.78Å; D194-R198 IonicContact OD1-NE 3.26Å; D194-R198 IonicContact OD1-NH2 2.9Å; D194-R198 PolarHBondContact OD1-NH2 2.76Å; D194-R198 IonicContact OD2-CZ 2.85Å; D194-R198 IonicContact OD2-NE 3.97Å; D194-R198 IonicContact OD2-NH1 3.02Å; D194-R198 PolarHBondContact OD2-NH1 2.73Å; D194-R198 IonicContact OD2-NH2 3.51Å; D194-R198 PolarHBondContact OD2-NH2 3.43Å; R198-N200 VanDerWaalsContact C-N 3.33Å; R198-N200 PolarHBondContact O-N 2.82Å; R198-C201 PolarHBondContact O-N 2.95Å; R198-M202 WeakPolarHBondContact O-CB 3.5Å; R198-M202 WeakPolarHBondContact O-CG 3.05Å; R198-M202 PolarHBondContact O-N 2.83Å
199R73.4Confident66.5Low210 Ų210114.2 Ų114.279%0.79258%0.575SS**Hα-helixtrans-60.8-40.8178.9-169.9179.7-172170.13.3112.6A195 M196 V197A195-R199 WeakPolarHBondContact O-CB 3.35Å; A195-R199 PolarHBondContact O-N 3.07Å; M196-R199 PolarHBondContact O-N 2.64Å; V197-R199 VanDerWaalsContact C-N 3.31Å; V197-R199 PolarHBondContact O-N 3.08Å
200N70.4Confident67.8Low88 Ų88113.5 Ų113.547%0.47156%0.564SS.*Hα-helixtrans-77.9-35.4-178.5-69.3-17.5000112.6M196 V197 R198M196-N200 PolarHBondContact O-N 2.77Å; V197-N200 PolarHBondContact O-N 2.77Å; R198-N200 VanDerWaalsContact C-N 3.33Å; R198-N200 PolarHBondContact O-N 2.82Å
201C68.3Low69.2Low49 Ų49117.4 Ų117.433%0.33157%0.574SS.*Hα-helixtrans-90.3-11-175.8-65.40000113.9V197 R198 K203 I245V197-C201 VanDerWaalsContact O-CB 3.25Å; V197-C201 WeakPolarHBondContact O-CB 3.09Å; V197-C201 PolarHBondContact O-N 2.74Å; V197-C201 PolarHBondContact O-SG 3.27Å; V197-C201 VanDerWaalsContact O-SG 3.39Å; R198-C201 PolarHBondContact O-N 2.95Å; C201-K203 PolarHBondContact O-N 3.38Å; C201-I245 HydrophobicContact CB-CG2 3.31Å
202M65.1Low70.3Confident106 Ų106120.3 Ų120.352%0.52258%0.576SS.*  trans-67.324.7174.5-90.4-171.717100114.8R198 K204 I245R198-M202 WeakPolarHBondContact O-CB 3.5Å; R198-M202 WeakPolarHBondContact O-CG 3.05Å; R198-M202 PolarHBondContact O-N 2.83Å; M202-K204 PolarHBondContact O-N 3.27Å; M202-I245 HydrophobicContact CE-CD1 4.17Å; M202-I245 HydrophobicContact CG-CD1 3.96Å
203K62.8Low71.6Confident170 Ų170121 Ų12174%0.73958%0.58SS**  trans-55.8127.2168-74-175.1179.1178.90108.1C201 N205C201-K203 PolarHBondContact O-N 3.38Å; K203-N205 PolarHBondContact O-N 3.17Å
204K61.6Low72.3Confident209 Ų209125 Ų12591%0.90959%0.59SS**  trans-62.978.4-177.9-64.5176.9178.2179.90110M202 K206M202-K204 PolarHBondContact O-N 3.27Å; K204-K206 PolarHBondContact O-N 3.02Å
205N61.2Low73.2Confident136 Ų136130.5 Ų130.573%0.72761%0.608SS**  trans-63.8131.4169.8-73.8-10.9000107.5K203 E207K203-N205 PolarHBondContact O-N 3.17Å; N205-E207 PolarHBondContact O-N 3.16Å
206K65.2Low73.7Confident193 Ų193132.9 Ų132.984%0.83961%0.606SS**  trans-56.5137.4168.2-70.2178.4178.41790107.1K204 E208K204-K206 PolarHBondContact O-N 3.02Å; K206-E208 PolarHBondContact O-N 3.03Å
207E71.1Confident74Confident194 Ų194137.1 Ų137.191%0.90763%0.625SS**  trans-58.1108.2175.4-64.4-17316400108.6N205 S209N205-E207 PolarHBondContact O-N 3.16Å; E207-S209 PolarHBondContact O-N 3.31Å
208E71.1Confident74.4Confident142 Ų142143.6 Ų143.666%0.66465%0.654SS**  trans-70.6102.2175.2-70.4176.2-176.400107.8K206 F210K206-E208 PolarHBondContact O-N 3.03Å; E208-F210 HydrophobicContact CB-CD2 4.49Å; E208-F210 HydrophobicContact CB-CE2 3.86Å; E208-F210 HydrophobicContact CB-CZ 3.95Å; E208-F210 WeakPolarHBondContact O-CD2 3.45Å; E208-F210 PolarHBondContact O-N 3.24Å; E208-F210 VanDerWaalsContact O-N 3.12Å; E208-F210 VanDerWaalsContact OE2-CZ 3.28Å; E208-F210 WeakPolarHBondContact OE2-CZ 3.23Å
209S75.1Confident74.7Confident121 Ų121145.9 Ų145.985%0.84667%0.672SS**  trans-77.393.7172.7-171.90000108.8E207E207-S209 PolarHBondContact O-N 3.31Å
210F78.9Confident74.9Confident139 Ų139139.5 Ų139.561%0.6166%0.664SS**  trans-70.9141.4168.6-61.4-75.9000110E208 K212E208-F210 HydrophobicContact CB-CD2 4.49Å; E208-F210 HydrophobicContact CB-CE2 3.86Å; E208-F210 HydrophobicContact CB-CZ 3.95Å; E208-F210 WeakPolarHBondContact O-CD2 3.45Å; E208-F210 PolarHBondContact O-N 3.24Å; E208-F210 VanDerWaalsContact O-N 3.12Å; E208-F210 VanDerWaalsContact OE2-CZ 3.28Å; E208-F210 WeakPolarHBondContact OE2-CZ 3.23Å; F210-K212 PolarHBondContact O-N 3.36Å
211W83.9Confident75.2Confident211 Ų211141.3 Ų141.380%0.79968%0.678SS**  trans-57.9131.4172.1177.288.5000110.4L213W211-L213 HydrophobicContact CH2-CD1 4.23Å; W211-L213 HydrophobicContact CH2-CD2 3.37Å; W211-L213 HydrophobicContact CH2-CG 3.46Å; W211-L213 VanDerWaalsContact CH2-CG 3.46Å; W211-L213 HydrophobicContact CZ2-CD2 3.67Å; W211-L213 HydrophobicContact CZ2-CG 4.06Å; W211-L213 HydrophobicContact CZ3-CD1 4.49Å; W211-L213 HydrophobicContact CZ3-CD2 4.3Å; W211-L213 HydrophobicContact CZ3-CG 3.9Å
212K80.9Confident75.7Confident165 Ų165141.8 Ų141.872%0.71769%0.692SS**  trans-130.5139.9177.7-65.2174.1-170.4173.70109.4F210 K214F210-K212 PolarHBondContact O-N 3.36Å; K212-K214 PolarHBondContact O-N 3.38Å
213L87.2Confident76.5Confident64 Ų64149 Ų14934%0.33571%0.713SS.*  trans-68.6129.4172.4-74.8162.9000110.2W211 R215 F216W211-L213 HydrophobicContact CH2-CD1 4.23Å; W211-L213 HydrophobicContact CH2-CD2 3.37Å; W211-L213 HydrophobicContact CH2-CG 3.46Å; W211-L213 VanDerWaalsContact CH2-CG 3.46Å; W211-L213 HydrophobicContact CZ2-CD2 3.67Å; W211-L213 HydrophobicContact CZ2-CG 4.06Å; W211-L213 HydrophobicContact CZ3-CD1 4.49Å; W211-L213 HydrophobicContact CZ3-CD2 4.3Å; W211-L213 HydrophobicContact CZ3-CG 3.9Å; L213-R215 HydrophobicContact CB-CG 4.18Å; L213-R215 PolarHBondContact O-N 2.95Å; L213-R215 VanDerWaalsContact O-N 3.08Å; L213-F216 HydrophobicContact CB-CD2 3.85Å; L213-F216 HydrophobicContact CB-CE2 4.28Å; L213-F216 HydrophobicContact CD1-CD2 4.16Å; L213-F216 HydrophobicContact CD1-CE2 3.73Å; L213-F216 PolarHBondContact O-N 3.01Å
214K84.8Confident77.6Confident166 Ų166147.5 Ų147.572%0.72271%0.712SS**Hα-helixtrans-51.1-36.3179.2-70.4-170.8176.9-177.20113.5K212 F216 E217 Q218K212-K214 PolarHBondContact O-N 3.38Å; K214-F216 PolarHBondContact O-N 3.36Å; K214-E217 PolarHBondContact O-N 3.1Å; K214-E217 VanDerWaalsContact O-N 3.13Å; K214-Q218 PolarHBondContact O-N 3.32Å
215R86.8Confident78.6Confident152 Ų152142.4 Ų142.457%0.57469%0.694SS**Hα-helixtrans-58.2-30.9177.775.1-178.4-179-172.1-2.7113.2L213 N219L213-R215 HydrophobicContact CB-CG 4.18Å; L213-R215 PolarHBondContact O-N 2.95Å; L213-R215 VanDerWaalsContact O-N 3.08Å; R215-N219 WeakPolarHBondContact O-CA 3.25Å; R215-N219 WeakPolarHBondContact O-CB 3.33Å; R215-N219 PolarHBondContact O-N 3.45Å
216F83.4Confident79.9Confident118 Ų118141.4 Ų141.452%0.51869%0.693SS.*Hα-helixtrans-84.4-21.8-179.6-65.4-41.8000112.9L213 K214 A220L213-F216 HydrophobicContact CB-CD2 3.85Å; L213-F216 HydrophobicContact CB-CE2 4.28Å; L213-F216 HydrophobicContact CD1-CD2 4.16Å; L213-F216 HydrophobicContact CD1-CE2 3.73Å; L213-F216 PolarHBondContact O-N 3.01Å; K214-F216 PolarHBondContact O-N 3.36Å; F216-A220 WeakPolarHBondContact O-CB 3.27Å; F216-A220 PolarHBondContact O-N 2.95Å
217E79.4Confident81Confident164 Ų164135.6 Ų135.677%0.76667%0.668SS**Hα-helixtrans-71.9-38.3172.4-170.8171.1-158.800111.2K214K214-E217 PolarHBondContact O-N 3.1Å; K214-E217 VanDerWaalsContact O-N 3.13Å
218Q78.1Confident81.8Confident146 Ų146137.4 Ų137.468%0.68267%0.667SS**Hα-helixtrans-90.5-38.7-176-64.9178.3-10.400113.4K214K214-Q218 PolarHBondContact O-N 3.32Å
219N80.5Confident82.7Confident121 Ų121134.8 Ų134.865%0.64766%0.657SS**Hα-helixtrans-106.5-1.6-169.8-55.1-25.2000114.2R215 V221R215-N219 WeakPolarHBondContact O-CA 3.25Å; R215-N219 WeakPolarHBondContact O-CB 3.33Å; R215-N219 PolarHBondContact O-N 3.45Å; N219-V221 PolarHBondContact O-N 2.79Å
220A77.6Confident83.4Confident75 Ų75133 Ų13362%0.6264%0.635SS**  trans-79.467.7176.700000111F216F216-A220 WeakPolarHBondContact O-CB 3.27Å; F216-A220 PolarHBondContact O-N 2.95Å
221V76.9Confident84.1Confident126 Ų126133 Ų13376%0.76464%0.638SS**  trans-90.6122.8170-173.80000107.9N219 R223N219-V221 PolarHBondContact O-N 2.79Å; V221-R223 PolarHBondContact O-N 3.33Å
222G79.4Confident84.4Confident60 Ų60129.7 Ų129.762%0.61963%0.626SS**  trans-61.5125.217200000109.6I224G222-I224 PolarHBondContact O-N 3.13Å; G222-I224 VanDerWaalsContact O-N 3.16Å
223R81.4Confident84.9Confident256 Ų256126.5 Ų126.597%0.96661%0.609SS**SBendtrans-66-15.9178.5-165164.6-177.8149.3-1112.9V221V221-R223 PolarHBondContact O-N 3.33Å
224I85.9Confident85.1Confident139 Ų139129.9 Ų129.971%0.71362%0.621SS**  trans-125.5119.3179-54.8174000107G222 T226G222-I224 PolarHBondContact O-N 3.13Å; G222-I224 VanDerWaalsContact O-N 3.16Å; I224-T226 HydrophobicContact CG2-CG2 3.83Å
225N83.2Confident85.5Confident102 Ų102126.8 Ų126.855%0.54561%0.612SS.*  trans-102.9106.7168.6-171.2-0.4000108.6F227N225-F227 PolarHBondContact OD1-N 3.42Å; N225-F227 VanDerWaalsContact OD1-N 3.15Å
226T87.1Confident85.6Confident116 Ų116121.3 Ų121.371%0.71260%0.599SS**  trans-87.1-7.1-179.754.50000113.1I224I224-T226 HydrophobicContact CG2-CG2 3.83Å
227F88.5Confident85.9Confident71 Ų71120.7 Ų120.731%0.31160%0.596SS.*  trans-84.3139.3179.2-62.5-77.6000110.5N225 R233 A236 F237N225-F227 PolarHBondContact OD1-N 3.42Å; N225-F227 VanDerWaalsContact OD1-N 3.15Å; F227-R233 HydrophobicContact CB-CB 3.93Å; F227-R233 HydrophobicContact CD1-CB 4.2Å; F227-R233 HydrophobicContact CD2-CB 3.74Å; F227-R233 HydrophobicContact CD2-CG 3.7Å; F227-R233 HydrophobicContact CE2-CB 4.29Å; F227-R233 HydrophobicContact CE2-CG 3.91Å; F227-R233 HydrophobicContact CG-CB 3.68Å; F227-R233 HydrophobicContact CG-CG 4.18Å; F227-A236 HydrophobicContact CD1-CB 4.38Å; F227-A236 HydrophobicContact CE1-CB 3.48Å; F227-A236 VanDerWaalsContact CE1-CB 3.48Å; F227-A236 HydrophobicContact CZ-CB 4.01Å; F227-F237 HydrophobicContact CE2-CE2 4.43Å
228R87.7Confident86.4Confident231 Ų231118.9 Ų118.987%0.87259%0.588SS**SBendtrans-63.8-48.1178.4-66.4-179179.1178.4-1.7112
229N91.2Very high86.9Confident87 Ų87119.6 Ų119.647%0.46559%0.589SS.*SBendtrans-132.5159.6177.1-59.6-5.1000110.5E231 Y232 R233N229-E231 PolarHBondContact O-N 2.89Å; N229-Y232 HydrophobicContact CB-CD2 3.9Å; N229-Y232 PolarHBondContact O-N 3.49Å; N229-R233 PolarHBondContact O-N 3.09Å; N229-R233 VanDerWaalsContact O-N 3.15Å
230E89.8Confident87.2Confident83 Ų83115.5 Ų115.539%0.38857%0.567SS.*Hα-helixtrans-62.6-29.8175-170.858.5-147.400112.5R233 K234E230-R233 VanDerWaalsContact CD-NH1 3.31Å; E230-R233 WeakPolarHBondContact O-CB 3.3Å; E230-R233 PolarHBondContact O-N 2.89Å; E230-R233 WeakPolarHBondContact OE1-CD 3.17Å; E230-R233 IonicContact OE1-CZ 3.16Å; E230-R233 IonicContact OE1-NE 3.32Å; E230-R233 PolarHBondContact OE1-NE 3.06Å; E230-R233 IonicContact OE1-NH1 3.03Å; E230-R233 PolarHBondContact OE1-NH1 3.44Å; E230-R233 IonicContact OE1-NH2 3.89Å; E230-R233 WeakPolarHBondContact OE2-CD 3.4Å; E230-R233 IonicContact OE2-CZ 3.65Å; E230-R233 IonicContact OE2-NE 3.88Å; E230-R233 IonicContact OE2-NH1 2.83Å; E230-R233 PolarHBondContact OE2-NH1 2.06Å; E230-K234 PolarHBondContact O-N 2.69Å
231E92.4Very high87.5Confident141 Ų141119.1 Ų119.166%0.65957%0.569SS**Hα-helixtrans-63-46.9174.1-63-175.1148.500112N229 R233 K234 L235N229-E231 PolarHBondContact O-N 2.89Å; E231-R233 VanDerWaalsContact C-N 3.26Å; E231-R233 PolarHBondContact O-N 3.36Å; E231-K234 PolarHBondContact O-N 3.35Å; E231-L235 WeakPolarHBondContact O-CG 3.3Å; E231-L235 PolarHBondContact O-N 3.15Å
232Y91.5Very high87.8Confident140 Ų140115.3 Ų115.355%0.54955%0.548SS..Hα-helixtrans-64.3-34176.6-73.7-68.1000111.9N229 A236N229-Y232 HydrophobicContact CB-CD2 3.9Å; N229-Y232 PolarHBondContact O-N 3.49Å; Y232-A236 VanDerWaalsContact O-CB 3.29Å; Y232-A236 WeakPolarHBondContact O-CB 3.41Å; Y232-A236 PolarHBondContact O-N 2.7Å
233R90.6Very high87.9Confident99 Ų99113.2 Ų113.237%0.37452%0.523SS..Hα-helixtrans-60.6-51.8172.8177.3-178.5147.7-163.70.1110.8F227 N229 E230 E231 L235 A236 F237F227-R233 HydrophobicContact CB-CB 3.93Å; F227-R233 HydrophobicContact CD1-CB 4.2Å; F227-R233 HydrophobicContact CD2-CB 3.74Å; F227-R233 HydrophobicContact CD2-CG 3.7Å; F227-R233 HydrophobicContact CE2-CB 4.29Å; F227-R233 HydrophobicContact CE2-CG 3.91Å; F227-R233 HydrophobicContact CG-CB 3.68Å; F227-R233 HydrophobicContact CG-CG 4.18Å; N229-R233 PolarHBondContact O-N 3.09Å; N229-R233 VanDerWaalsContact O-N 3.15Å; E230-R233 VanDerWaalsContact CD-NH1 3.31Å; E230-R233 WeakPolarHBondContact O-CB 3.3Å; E230-R233 PolarHBondContact O-N 2.89Å; E230-R233 WeakPolarHBondContact OE1-CD 3.17Å; E230-R233 IonicContact OE1-CZ 3.16Å; E230-R233 IonicContact OE1-NE 3.32Å; E230-R233 PolarHBondContact OE1-NE 3.06Å; E230-R233 IonicContact OE1-NH1 3.03Å; E230-R233 PolarHBondContact OE1-NH1 3.44Å; E230-R233 IonicContact OE1-NH2 3.89Å; E230-R233 WeakPolarHBondContact OE2-CD 3.4Å; E230-R233 IonicContact OE2-CZ 3.65Å; E230-R233 IonicContact OE2-NE 3.88Å; E230-R233 IonicContact OE2-NH1 2.83Å; E230-R233 PolarHBondContact OE2-NH1 2.06Å; E231-R233 VanDerWaalsContact C-N 3.26Å; E231-R233 PolarHBondContact O-N 3.36Å; R233-L235 PolarHBondContact O-N 3.24Å; R233-A236 PolarHBondContact O-N 3.26Å; R233-F237 HydrophobicContact CG-CD2 3.8Å; R233-F237 HydrophobicContact CG-CE2 3.56Å; R233-F237 WeakPolarHBondContact O-CD2 3.13Å; R233-F237 PolarHBondContact O-N 3.08Å; R233-F237 VanDerWaalsContact O-N 3.08Å
234K91.1Very high88Confident134 Ų134104.5 Ų104.558%0.58349%0.493SS*.Hα-helixtrans-58.1-48.3178.9-71.4179.2-178.1178.90111.8E230 E231 A236 F237 E238E230-K234 PolarHBondContact O-N 2.69Å; E231-K234 PolarHBondContact O-N 3.35Å; K234-A236 VanDerWaalsContact C-N 3.33Å; K234-A236 PolarHBondContact O-N 2.95Å; K234-F237 PolarHBondContact O-N 3.37Å; K234-E238 PolarHBondContact O-N 3.32Å
235L92.7Very high87.7Confident102 Ų102100.5 Ų100.553%0.53447%0.472SS..Hα-helixtrans-59.8-41.2177.7-74.8169.3000112.6E231 R233 F237 E238 K239E231-L235 WeakPolarHBondContact O-CG 3.3Å; E231-L235 PolarHBondContact O-N 3.15Å; R233-L235 PolarHBondContact O-N 3.24Å; L235-F237 PolarHBondContact O-N 3.13Å; L235-E238 PolarHBondContact O-N 3.45Å; L235-K239 WeakPolarHBondContact O-CB 3.31Å; L235-K239 PolarHBondContact O-N 3.36Å
236A90.5Very high87.4Confident36 Ų3695.7 Ų95.730%0.29845%0.446SS..Hα-helixtrans-62.6-42.4176.900000111.7F227 Y232 R233 K234 K239 D240F227-A236 HydrophobicContact CD1-CB 4.38Å; F227-A236 HydrophobicContact CE1-CB 3.48Å; F227-A236 VanDerWaalsContact CE1-CB 3.48Å; F227-A236 HydrophobicContact CZ-CB 4.01Å; Y232-A236 VanDerWaalsContact O-CB 3.29Å; Y232-A236 WeakPolarHBondContact O-CB 3.41Å; Y232-A236 PolarHBondContact O-N 2.7Å; R233-A236 PolarHBondContact O-N 3.26Å; K234-A236 VanDerWaalsContact C-N 3.33Å; K234-A236 PolarHBondContact O-N 2.95Å; A236-K239 PolarHBondContact O-N 3.43Å; A236-D240 WeakPolarHBondContact O-CB 3.25Å; A236-D240 PolarHBondContact O-N 2.93Å
237F89Confident87Confident105 Ų10594.2 Ų94.246%0.46143%0.428SS..Hα-helixtrans-66.6-37.6176.5-79.8-67.7000113.1F227 R233 K234 L235 D240 K241F227-F237 HydrophobicContact CE2-CE2 4.43Å; R233-F237 HydrophobicContact CG-CD2 3.8Å; R233-F237 HydrophobicContact CG-CE2 3.56Å; R233-F237 WeakPolarHBondContact O-CD2 3.13Å; R233-F237 PolarHBondContact O-N 3.08Å; R233-F237 VanDerWaalsContact O-N 3.08Å; K234-F237 PolarHBondContact O-N 3.37Å; L235-F237 PolarHBondContact O-N 3.13Å; F237-D240 PolarHBondContact O-N 3.4Å; F237-K241 VanDerWaalsContact O-CG 3.32Å; F237-K241 WeakPolarHBondContact O-CG 3.46Å; F237-K241 PolarHBondContact O-N 3.02Å
238E90.1Very high86.4Confident126 Ų12694.5 Ų94.559%0.58943%0.432SS*.Hα-helixtrans-65.7-42174.2-72.4-175.8163.900112.2K234 L235 D240 K241 S242K234-E238 PolarHBondContact O-N 3.32Å; L235-E238 PolarHBondContact O-N 3.45Å; E238-D240 VanDerWaalsContact C-N 3.34Å; E238-K241 PolarHBondContact O-N 3.14Å; E238-S242 PolarHBondContact O-N 2.88Å; E238-S242 PolarHBondContact O-OG 3.48Å
239K88.1Confident86Confident161 Ų16186 Ų8670%0.742%0.416SS*.Hα-helixtrans-65.1-39.1175.3-169.4172.3-176.5173.70111.8L235 A236 S242 S243L235-K239 WeakPolarHBondContact O-CB 3.31Å; L235-K239 PolarHBondContact O-N 3.36Å; A236-K239 PolarHBondContact O-N 3.43Å; K239-S242 WeakPolarHBondContact CA-OG 3.06Å; K239-S242 PolarHBondContact O-N 2.9Å; K239-S242 PolarHBondContact O-OG 3.39Å; K239-S243 WeakPolarHBondContact O-CB 3.35Å; K239-S243 PolarHBondContact O-N 3.04Å
240D87.2Confident85.3Confident36 Ų3689.7 Ų89.719%0.19344%0.435CS..Hα-helixtrans-62.5-49174.6-174.348.4000110.9A236 F237 E238 S242 S243 K244 H253A236-D240 WeakPolarHBondContact O-CB 3.25Å; A236-D240 PolarHBondContact O-N 2.93Å; F237-D240 PolarHBondContact O-N 3.4Å; E238-D240 VanDerWaalsContact C-N 3.34Å; D240-S242 VanDerWaalsContact C-N 3.34Å; D240-S242 PolarHBondContact O-N 2.93Å; D240-S243 PolarHBondContact O-N 2.85Å; D240-K244 VanDerWaalsContact CG-CE 3.43Å; D240-K244 VanDerWaalsContact O-CG 3.28Å; D240-K244 WeakPolarHBondContact O-CG 3.43Å; D240-K244 PolarHBondContact O-N 3.22Å; D240-K244 WeakPolarHBondContact OD1-CE 3.18Å; D240-K244 WeakPolarHBondContact OD2-CE 3.35Å; D240-K244 IonicContact OD2-NZ 2.75Å; D240-K244 PolarHBondContact OD2-NZ 3.13Å; D240-H253 IonicContact OD1-CD2 3.31Å; D240-H253 PolarHBondContact OD1-CD2 3.37Å; D240-H253 VanDerWaalsContact OD1-CD2 3.31Å; D240-H253 IonicContact OD1-NE2 2.94Å; D240-H253 PolarHBondContact OD1-NE2 3.49Å; D240-H253 IonicContact OD2-NE2 3.22Å; D240-H253 PolarHBondContact OD2-NE2 3.28Å
241K84Confident84.7Confident151 Ų15192.1 Ų92.166%0.65745%0.446SS*.Hα-helixtrans-55-45176-75.6177.2-180-174.40112.8F237 E238F237-K241 VanDerWaalsContact O-CG 3.32Å; F237-K241 WeakPolarHBondContact O-CG 3.46Å; F237-K241 PolarHBondContact O-N 3.02Å; E238-K241 PolarHBondContact O-N 3.14Å
242S83Confident83.9Confident46 Ų4685.8 Ų85.832%0.32242%0.419SS..Hα-helixtrans-72.7-31.4179.456.50000113.4E238 K239 D240E238-S242 PolarHBondContact O-N 2.88Å; E238-S242 PolarHBondContact O-OG 3.48Å; K239-S242 WeakPolarHBondContact CA-OG 3.06Å; K239-S242 PolarHBondContact O-N 2.9Å; K239-S242 PolarHBondContact O-OG 3.39Å; D240-S242 VanDerWaalsContact C-N 3.34Å; D240-S242 PolarHBondContact O-N 2.93Å
243S81.9Confident83.3Confident15 Ų1584.4 Ų84.411%0.10542%0.417CS..Hα-helixtrans-78.1-34.4179.3-169.40000113.3K239 D240 I245 S246K239-S243 WeakPolarHBondContact O-CB 3.35Å; K239-S243 PolarHBondContact O-N 3.04Å; D240-S243 PolarHBondContact O-N 2.85Å; S243-I245 PolarHBondContact O-N 3.09Å; S243-S246 PolarHBondContact O-N 3.02Å; S243-S246 VanDerWaalsContact O-N 3.09Å; S243-S246 PolarHBondContact O-OG 2.91Å
244K82.3Confident82.7Confident73 Ų7381.3 Ų81.332%0.31742%0.415SS..Hα-helixtrans-52.3-33.4179.5-81.6178.4-176.8168.20113.6D240 S246 R247 H251 G252 H253D240-K244 VanDerWaalsContact CG-CE 3.43Å; D240-K244 VanDerWaalsContact O-CG 3.28Å; D240-K244 WeakPolarHBondContact O-CG 3.43Å; D240-K244 PolarHBondContact O-N 3.22Å; D240-K244 WeakPolarHBondContact OD1-CE 3.18Å; D240-K244 WeakPolarHBondContact OD2-CE 3.35Å; D240-K244 IonicContact OD2-NZ 2.75Å; D240-K244 PolarHBondContact OD2-NZ 3.13Å; K244-S246 VanDerWaalsContact C-N 3.26Å; K244-S246 PolarHBondContact O-N 3.11Å; K244-R247 PolarHBondContact O-N 2.85Å; K244-R247 VanDerWaalsContact O-N 3.12Å; K244-H251 WeakPolarHBondContact CD-O 2.97Å; K244-H251 WeakPolarHBondContact CE-O 3.37Å; K244-G252 WeakPolarHBondContact CG-O 3.2Å; K244-H253 WeakPolarHBondContact CE-NE2 3.36Å
245I79.6Confident82Confident55 Ų5581.5 Ų81.528%0.28242%0.422SS..THydrogen-bonded Turntrans-59.3-36.9-177.8-61.6169.8000111.8C201 M202 S243C201-I245 HydrophobicContact CB-CG2 3.31Å; M202-I245 HydrophobicContact CE-CD1 4.17Å; M202-I245 HydrophobicContact CG-CD1 3.96Å; S243-I245 PolarHBondContact O-N 3.09Å
246S77.5Confident81Confident1 Ų180.8 Ų80.81%0.00742%0.415CS..THydrogen-bonded Turntrans-95.88.2-179.4590000113.6D194 S243 K244 Q256 R257D194-S246 VanDerWaalsContact OD1-CB 3.26Å; D194-S246 WeakPolarHBondContact OD1-CB 3.27Å; D194-S246 PolarHBondContact OD1-OG 2.99Å; S243-S246 PolarHBondContact O-N 3.02Å; S243-S246 VanDerWaalsContact O-N 3.09Å; S243-S246 PolarHBondContact O-OG 2.91Å; K244-S246 VanDerWaalsContact C-N 3.26Å; K244-S246 PolarHBondContact O-N 3.11Å; S246-Q256 CarbonylContact O-C 3.52Å; S246-Q256 WeakPolarHBondContact O-CA 3.03Å; S246-R257 PolarHBondContact O-N 3.29Å
247R79Confident79.9Confident85 Ų8584.5 Ų84.532%0.32142%0.422SS..BIsolated β-bridgetrans-112.1156.8-175.8-73.7-178.2149165.8-4.9112.9K244 G252 G254 I255K244-R247 PolarHBondContact O-N 2.85Å; K244-R247 VanDerWaalsContact O-N 3.12Å; R247-G252 VanDerWaalsContact CB-O 3.3Å; R247-G252 WeakPolarHBondContact CB-O 3.07Å; R247-G252 VanDerWaalsContact CD-O 3.26Å; R247-G252 WeakPolarHBondContact CD-O 3.43Å; R247-G254 WeakPolarHBondContact CD-O 3.39Å; R247-G254 PolarHBondContact NE-O 3.35Å; R247-I255 CarbonylContact C-O 3.58Å; R247-I255 WeakPolarHBondContact CA-O 3.48Å
248I75.7Confident78.6Confident77 Ų7784.6 Ų84.640%0.39543%0.431SS..  trans-100.4151.2175.4-56.4174.1000108.8G254 I255 R257I248-G254 WeakPolarHBondContact O-CA 3.15Å; I248-G254 PolarHBondContact O-N 3.23Å; I248-I255 PolarHBondContact N-O 3.36Å; I248-R257 HydrophobicContact CD1-CG 4.04Å; I248-R257 HydrophobicContact CG1-CB 4.49Å; I248-R257 HydrophobicContact CG1-CG 3.49Å; I248-R257 VanDerWaalsContact CG1-CG 3.49Å
249G78.5Confident77.1Confident52 Ų5281.5 Ų81.554%0.53643%0.433SS..SBendtrans117.1156.617500000113.3H251 G252G249-H251 PolarHBondContact O-N 3.39Å; G249-G252 PolarHBondContact O-N 3.04Å
250L77.4Confident75.2Confident166 Ų16681.1 Ų81.187%0.86943%0.433SS*.THydrogen-bonded Turntrans-52.8-35.4-170.9-172.665.2000113.9
251H77.2Confident73.2Confident134 Ų13484.4 Ų84.462%0.6246%0.459SS*.THydrogen-bonded Turntrans-1095.6-179.8-58.599.4000113.5K244 G249 H253K244-H251 WeakPolarHBondContact CD-O 2.97Å; K244-H251 WeakPolarHBondContact CE-O 3.37Å; G249-H251 PolarHBondContact O-N 3.39Å; H251-H253 VanDerWaalsContact C-N 3.33Å; H251-H253 PolarHBondContact O-N 3.18Å
252G75.3Confident71.1Confident8 Ų885.6 Ų85.68%0.08250%0.497CS..SBendtrans69.724.1-176.900000114.7K244 R247 G249K244-G252 WeakPolarHBondContact CG-O 3.2Å; R247-G252 VanDerWaalsContact CB-O 3.3Å; R247-G252 WeakPolarHBondContact CB-O 3.07Å; R247-G252 VanDerWaalsContact CD-O 3.26Å; R247-G252 WeakPolarHBondContact CD-O 3.43Å; G249-G252 PolarHBondContact O-N 3.04Å
253H77.8Confident70.5Confident111 Ų11187.6 Ų87.651%0.51451%0.506SS..  trans-103.13.1-179.1-67175.4000114.2D240 K244 H251D240-H253 IonicContact OD1-CD2 3.31Å; D240-H253 PolarHBondContact OD1-CD2 3.37Å; D240-H253 VanDerWaalsContact OD1-CD2 3.31Å; D240-H253 IonicContact OD1-NE2 2.94Å; D240-H253 PolarHBondContact OD1-NE2 3.49Å; D240-H253 IonicContact OD2-NE2 3.22Å; D240-H253 PolarHBondContact OD2-NE2 3.28Å; K244-H253 WeakPolarHBondContact CE-NE2 3.36Å; H251-H253 VanDerWaalsContact C-N 3.33Å; H251-H253 PolarHBondContact O-N 3.18Å
254G78.7Confident69.9Low33 Ų3391.4 Ų91.434%0.3453%0.527SS..SBendtrans-88.7-150.7-177.900000114.4R247 I248R247-G254 WeakPolarHBondContact CD-O 3.39Å; R247-G254 PolarHBondContact NE-O 3.35Å; I248-G254 WeakPolarHBondContact O-CA 3.15Å; I248-G254 PolarHBondContact O-N 3.23Å
255I77.1Confident69.3Low139 Ų13992.4 Ų92.471%0.71354%0.539SS*.  trans-70.2148.2-173.1-53.3169000109.9R247 I248R247-I255 CarbonylContact C-O 3.58Å; R247-I255 WeakPolarHBondContact CA-O 3.48Å; I248-I255 PolarHBondContact N-O 3.36Å
256Q71.4Confident68.6Low86 Ų8694.6 Ų94.640%0.40255%0.554SS.*BIsolated β-bridgetrans-62.4139.5173-72.4179.6-22.100110.4S246 T258S246-Q256 CarbonylContact O-C 3.52Å; S246-Q256 WeakPolarHBondContact O-CA 3.03Å; Q256-T258 PolarHBondContact O-N 3.16Å
257R66.4Low68.1Low115 Ų115100.5 Ų100.543%0.43459%0.588SS.*  trans-65.699.1172.4-70.2-178.1-174.6-151.20.5108.7V197 S246 I248V197-R257 HydrophobicContact CG1-CB 4.3Å; S246-R257 PolarHBondContact O-N 3.29Å; I248-R257 HydrophobicContact CD1-CG 4.04Å; I248-R257 HydrophobicContact CG1-CB 4.49Å; I248-R257 HydrophobicContact CG1-CG 3.49Å; I248-R257 VanDerWaalsContact CG1-CG 3.49Å
258T63.4Low67.4Low107 Ų107101.5 Ų101.566%0.65661%0.606SS**  trans-102.5110.217050.70000108.7Q256 E260Q256-T258 PolarHBondContact O-N 3.16Å; T258-E260 PolarHBondContact O-N 3.03Å
259G56.9Low66.8Low60 Ų60103.3 Ų103.362%0.61962%0.621SS**SBendtrans83.97.5161.900000118
260E49.4Very low65.9Low153 Ų153107.2 Ų107.272%0.71563%0.628SS**  trans-98.589.8170.6-71.2179.8177.100110.1T258T258-E260 PolarHBondContact O-N 3.03Å
261S45.2Very low64.9Low106 Ų106102.3 Ų102.374%0.74161%0.608SS**  trans-71124.5160.9-39.70000108.1
262A40.3Very low63.8Low176 Ų17699.5 Ų99.5100%1.45561%0.606SS**  trans-68.60158.500000110.5

Retrieved 262 of 262 residues in 421.4 ms (Link to these results)

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