A0A077ZFQ2_TRITR Loading...

Ubiquitin associated and SH3

AlphaFold DB , UniProt , Accession A0A077ZFQ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 327 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.9Very low43.2Very low239 Ų23996.4 Ų96.4100%1.17750%0.495SS*.  0118.50-78.9179.9-127.300107.7T3M1-T3 PolarHBondContact O-N 3.13Å; M1-T3 VanDerWaalsContact O-N 3.12Å
2C32.2Very low43.4Very low129 Ų12989.8 Ų89.887%0.87246%0.461SS*.  trans-68.9107.6168.9-158.20000106.1A4C2-A4 PolarHBondContact O-N 2.97Å; C2-A4 VanDerWaalsContact O-N 3.1Å
3T39.5Very low43.7Very low127 Ų12787.8 Ų87.878%0.77945%0.452SS*.  trans-56.1118.1172.343.90000106.7M1 Y5M1-T3 PolarHBondContact O-N 3.13Å; M1-T3 VanDerWaalsContact O-N 3.12Å; T3-Y5 PolarHBondContact O-N 2.64Å
4A44.1Very low43.8Very low45 Ų4590.3 Ų90.337%0.37247%0.473SS..  trans-53133.3177.800000108C2 E6C2-A4 PolarHBondContact O-N 2.97Å; C2-A4 VanDerWaalsContact O-N 3.1Å; A4-E6 PolarHBondContact O-N 3.02Å
5Y43.1Very low44.1Very low128 Ų12891.1 Ų91.150%0.50247%0.471SS..  trans-57.8112.4173.8-173.3-90.3000107.3T3 T7 P309T3-Y5 PolarHBondContact O-N 2.64Å; Y5-T7 VanDerWaalsContact C-N 3.3Å; Y5-T7 HydrophobicContact CD1-CG2 3.71Å; Y5-T7 HydrophobicContact CE1-CG2 4.07Å; Y5-T7 PolarHBondContact O-N 3.07Å; Y5-P309 HydrophobicContact CE1-CB 4.04Å
6E48.3Very low44.4Very low120 Ų12086.1 Ų86.156%0.56145%0.446SS*.  trans-71.689.3178.5-74-177.3-171.500108.3A4 R8 F9A4-E6 PolarHBondContact O-N 3.02Å; E6-R8 PolarHBondContact O-N 3.29Å; E6-F9 HydrophobicContact CB-CD2 3.72Å; E6-F9 HydrophobicContact CB-CE2 3.54Å; E6-F9 HydrophobicContact CG-CE2 4.33Å; E6-F9 WeakPolarHBondContact O-CD2 3.33Å; E6-F9 PolarHBondContact O-N 2.97Å; E6-F9 VanDerWaalsContact O-N 3.16Å; E6-F9 WeakPolarHBondContact OE2-CE2 3.4Å; E6-F9 VanDerWaalsContact OE2-CZ 3.25Å; E6-F9 WeakPolarHBondContact OE2-CZ 3.47Å
7T47.5Very low44.6Very low22 Ų2287.3 Ų87.314%0.13545%0.453CS..G310 helixtrans-61.8-12.1179.637.80000114.4Y5 F9 S10 T135 P309Y5-T7 VanDerWaalsContact C-N 3.3Å; Y5-T7 HydrophobicContact CD1-CG2 3.71Å; Y5-T7 HydrophobicContact CE1-CG2 4.07Å; Y5-T7 PolarHBondContact O-N 3.07Å; T7-F9 PolarHBondContact O-N 3.34Å; T7-S10 WeakPolarHBondContact O-CB 3.43Å; T7-S10 PolarHBondContact O-N 3.23Å; T7-S10 PolarHBondContact O-OG 3.47Å; T7-T135 HydrophobicContact CG2-CG2 3.11Å; T7-P309 HydrophobicContact CG2-CB 4.14Å; T7-P309 HydrophobicContact CG2-CG 4.39Å
8R49.1Very low44.9Very low157 Ų15789.9 Ų89.959%0.59246%0.463SS*.G310 helixtrans-49.9-30.8170.3-59-167.5-163.7-168.14112.8E6 E50E6-R8 PolarHBondContact O-N 3.29Å; R8-E50 WeakPolarHBondContact CA-OE1 3.35Å; R8-E50 WeakPolarHBondContact CB-OE1 3.22Å; R8-E50 WeakPolarHBondContact CB-OE2 3.17Å; R8-E50 WeakPolarHBondContact CD-OE2 3.38Å; R8-E50 VanDerWaalsContact CG-OE1 3.27Å; R8-E50 WeakPolarHBondContact CG-OE1 3.25Å
9F46.4Very low45.2Very low69 Ų6991.3 Ų91.330%0.30347%0.465SS..G310 helixtrans-86.7-6.6179-49.3-55.3000115.1E6 T7 K43 S46E6-F9 HydrophobicContact CB-CD2 3.72Å; E6-F9 HydrophobicContact CB-CE2 3.54Å; E6-F9 HydrophobicContact CG-CE2 4.33Å; E6-F9 WeakPolarHBondContact O-CD2 3.33Å; E6-F9 PolarHBondContact O-N 2.97Å; E6-F9 VanDerWaalsContact O-N 3.16Å; E6-F9 WeakPolarHBondContact OE2-CE2 3.4Å; E6-F9 VanDerWaalsContact OE2-CZ 3.25Å; E6-F9 WeakPolarHBondContact OE2-CZ 3.47Å; T7-F9 PolarHBondContact O-N 3.34Å; F9-K43 HydrophobicContact CD1-CB 3.87Å; F9-K43 HydrophobicContact CD1-CG 3.64Å; F9-K43 HydrophobicContact CD2-CG 4.11Å; F9-K43 HydrophobicContact CE1-CB 3.7Å; F9-K43 HydrophobicContact CE1-CD 4.34Å; F9-K43 HydrophobicContact CE1-CG 3.6Å; F9-K43 HydrophobicContact CE2-CD 4.26Å; F9-K43 HydrophobicContact CE2-CG 4.03Å; F9-K43 HydrophobicContact CG-CG 3.9Å; F9-K43 HydrophobicContact CZ-CB 4.28Å; F9-K43 HydrophobicContact CZ-CD 4.1Å; F9-K43 HydrophobicContact CZ-CG 3.82Å; F9-S46 VanDerWaalsContact CA-OG 3.28Å; F9-S46 WeakPolarHBondContact CA-OG 3.46Å; F9-S46 PolarHBondContact O-OG 3.4Å
10S48.4Very low45.6Very low7 Ų787.1 Ų87.15%0.04945%0.445CS..SBendtrans-94.1-1.3-166.169.60000115T7 R319T7-S10 WeakPolarHBondContact O-CB 3.43Å; T7-S10 PolarHBondContact O-N 3.23Å; T7-S10 PolarHBondContact O-OG 3.47Å; S10-R319 PolarHBondContact O-NH2 2.89Å
11V44.1Very low46.1Very low17 Ų1792 Ų9210%0.10346%0.463CS..  trans-123.4-17.8-153.2165.10000116.1D13 H305 S306V11-D13 PolarHBondContact O-N 3Å; V11-H305 HydrophobicContact CG1-CB 3.61Å; V11-H305 WeakPolarHBondContact CG1-O 3.28Å; V11-H305 WeakPolarHBondContact CG2-O 3.43Å; V11-S306 WeakPolarHBondContact CB-OG 3.49Å; V11-S306 VanDerWaalsContact CG1-OG 3.25Å; V11-S306 WeakPolarHBondContact CG1-OG 3.42Å; V11-S306 VanDerWaalsContact CG2-CB 3.45Å; V11-S306 WeakPolarHBondContact CG2-OG 3.24Å
12I46.1Very low47.3Very low18 Ų1883.2 Ų83.29%0.09243%0.433CS..SBendtrans-70.5124.9-176.3-55.1-172.1000108.1V16 A45 S46 A49 R319I12-V16 HydrophobicContact CB-CG2 3.09Å; I12-V16 HydrophobicContact CG1-CG2 4.4Å; I12-V16 HydrophobicContact CG2-CB 4.47Å; I12-V16 HydrophobicContact CG2-CG2 3.11Å; I12-V16 WeakPolarHBondContact O-CG2 3.14Å; I12-A45 WeakPolarHBondContact CD1-O 3.37Å; I12-S46 VanDerWaalsContact CD1-N 3.31Å; I12-S46 WeakPolarHBondContact CD1-O 3.2Å; I12-A49 HydrophobicContact CB-CB 4.45Å; I12-A49 HydrophobicContact CD1-CB 3.17Å; I12-A49 HydrophobicContact CG1-CB 3.65Å; I12-A49 HydrophobicContact CG2-CB 3.98Å; I12-R319 PolarHBondContact O-NH1 3.32Å
13D46.6Very low48.6Very low63 Ų6378.5 Ų78.534%0.33740%0.404SS..  trans32.2131.3142.5-149.2-15.6000116V11 K15 V16 K19V11-D13 PolarHBondContact O-N 3Å; D13-K15 HydrophobicContact CB-CB 4.41Å; D13-K15 PolarHBondContact O-N 2.6Å; D13-K15 PolarHBondContact OD1-N 2.88Å; D13-V16 HydrophobicContact CB-CG2 4.48Å; D13-V16 VanDerWaalsContact O-CG2 3.29Å; D13-V16 WeakPolarHBondContact O-CG2 3.44Å; D13-V16 PolarHBondContact O-N 2.99Å; D13-K19 IonicContact OD2-NZ 3.45Å; D13-K19 PolarHBondContact OD2-NZ 3.1Å
14V45.8Very low49.4Very low123 Ų12375.4 Ų75.475%0.74539%0.385SS*.THydrogen-bonded Turntrans-54.1-21.1169.7-1690000110.8
15K47.4Very low50.2Low103 Ų10381 Ų8145%0.44841%0.408SS..THydrogen-bonded Turntrans-83.26.4172.9-58.2-168.1160.3-153.80116.6D13 N17 E18 K19D13-K15 HydrophobicContact CB-CB 4.41Å; D13-K15 PolarHBondContact O-N 2.6Å; D13-K15 PolarHBondContact OD1-N 2.88Å; K15-N17 PolarHBondContact O-N 3.48Å; K15-E18 HydrophobicContact CB-CB 4.23Å; K15-E18 HydrophobicContact CB-CG 4.34Å; K15-E18 WeakPolarHBondContact CD-OE2 3.47Å; K15-E18 VanDerWaalsContact CE-OE2 3.26Å; K15-E18 WeakPolarHBondContact CE-OE2 3.37Å; K15-E18 VanDerWaalsContact CG-OE2 3.26Å; K15-E18 WeakPolarHBondContact CG-OE2 3.42Å; K15-E18 IonicContact NZ-OE2 3.85Å; K15-E18 PolarHBondContact NZ-OE2 2.92Å; K15-E18 CarbonylContact O-C 3.5Å; K15-E18 WeakPolarHBondContact O-CA 3.43Å; K15-E18 WeakPolarHBondContact O-CB 3.49Å; K15-E18 PolarHBondContact O-N 3.33Å; K15-K19 WeakPolarHBondContact O-CG 3.38Å; K15-K19 PolarHBondContact O-N 3.23Å
16V48.6Very low50.8Low11 Ų1181.6 Ų81.67%0.06742%0.415CS..Hα-helixtrans-55.9-42.9171.9174.20000110.7I12 D13 E18 K19 A20 L42 A45I12-V16 HydrophobicContact CB-CG2 3.09Å; I12-V16 HydrophobicContact CG1-CG2 4.4Å; I12-V16 HydrophobicContact CG2-CB 4.47Å; I12-V16 HydrophobicContact CG2-CG2 3.11Å; I12-V16 WeakPolarHBondContact O-CG2 3.14Å; D13-V16 HydrophobicContact CB-CG2 4.48Å; D13-V16 VanDerWaalsContact O-CG2 3.29Å; D13-V16 WeakPolarHBondContact O-CG2 3.44Å; D13-V16 PolarHBondContact O-N 2.99Å; V16-E18 PolarHBondContact O-N 2.93Å; V16-K19 CarbonylContact O-C 3.56Å; V16-K19 WeakPolarHBondContact O-CA 3.44Å; V16-K19 PolarHBondContact O-N 3.22Å; V16-A20 WeakPolarHBondContact O-CB 3.39Å; V16-A20 PolarHBondContact O-N 3.44Å; V16-L42 HydrophobicContact CG1-CD2 3.48Å; V16-L42 VanDerWaalsContact CG1-CD2 3.48Å; V16-A45 HydrophobicContact CG1-CB 3.93Å
17N47.9Very low51Low106 Ų10680.6 Ų80.657%0.56743%0.427SS*.Hα-helixtrans-62.3-31.8178-65.4-9.9000111.1K15K15-N17 PolarHBondContact O-N 3.48Å
18E51.4Low51.9Low135 Ų13582.2 Ų82.263%0.63145%0.448SS*.Hα-helixtrans-73.4-30.7171.8-58.1-178.8172.800112.6K15 V16K15-E18 HydrophobicContact CB-CB 4.23Å; K15-E18 HydrophobicContact CB-CG 4.34Å; K15-E18 WeakPolarHBondContact CD-OE2 3.47Å; K15-E18 VanDerWaalsContact CE-OE2 3.26Å; K15-E18 WeakPolarHBondContact CE-OE2 3.37Å; K15-E18 VanDerWaalsContact CG-OE2 3.26Å; K15-E18 WeakPolarHBondContact CG-OE2 3.42Å; K15-E18 IonicContact NZ-OE2 3.85Å; K15-E18 PolarHBondContact NZ-OE2 2.92Å; K15-E18 CarbonylContact O-C 3.5Å; K15-E18 WeakPolarHBondContact O-CA 3.43Å; K15-E18 WeakPolarHBondContact O-CB 3.49Å; K15-E18 PolarHBondContact O-N 3.33Å; V16-E18 PolarHBondContact O-N 2.93Å
19K49Very low52.6Low115 Ų11581.4 Ų81.450%0.546%0.464SS..Hα-helixtrans-85.7-26.2-178.9-69175.5-170168.50113.2D13 K15 V16 K21D13-K19 IonicContact OD2-NZ 3.45Å; D13-K19 PolarHBondContact OD2-NZ 3.1Å; K15-K19 WeakPolarHBondContact O-CG 3.38Å; K15-K19 PolarHBondContact O-N 3.23Å; V16-K19 CarbonylContact O-C 3.56Å; V16-K19 WeakPolarHBondContact O-CA 3.44Å; V16-K19 PolarHBondContact O-N 3.22Å; K19-K21 PolarHBondContact O-N 2.87Å
20A52.9Low53.9Low8 Ų880.1 Ų80.17%0.06646%0.459CS..SBendtrans-78.671.2174.700000109.8V16 G22 A23 L41V16-A20 WeakPolarHBondContact O-CB 3.39Å; V16-A20 PolarHBondContact O-N 3.44Å; A20-G22 PolarHBondContact O-N 3.28Å; A20-A23 HydrophobicContact CB-CB 4.04Å; A20-A23 PolarHBondContact O-N 3.21Å; A20-L41 HydrophobicContact CB-CB 4.45Å
21K57Low55.4Low190 Ų19083 Ų8383%0.82648%0.48SS*.THydrogen-bonded Turntrans-51.5114.8175.1-70.5-176.1177.2-178.50109.6K19K19-K21 PolarHBondContact O-N 2.87Å
22G59.1Low57.2Low54 Ų5486 Ų8656%0.55751%0.506SS*.THydrogen-bonded Turntrans99.44178.300000116.3A20A20-G22 PolarHBondContact O-N 3.28Å
23A57.8Low58.9Low31 Ų3192.8 Ų92.826%0.25654%0.537SS..  trans-73.7131.7166.900000110.6A20 L41A20-A23 HydrophobicContact CB-CB 4.04Å; A20-A23 PolarHBondContact O-N 3.21Å; A23-L41 HydrophobicContact CB-CD1 4.39Å
24T57.7Low60.3Low62 Ų6291.5 Ų91.538%0.3853%0.529SS..  trans-81.1132.1-177.2-450000110.6Q26 E34 Q38T24-Q26 HydrophobicContact CG2-CB 3.78Å; T24-Q26 PolarHBondContact O-N 2.99Å; T24-E34 WeakPolarHBondContact CB-OE1 3.45Å; T24-E34 PolarHBondContact OG1-OE1 3.45Å; T24-Q38 PolarHBondContact O-NE2 2.99Å
25L59.4Low61.7Low161 Ų16191.6 Ų91.684%0.84352%0.521SS*.  trans-84.912.5176.1-67.1172000113.4A27L25-A27 PolarHBondContact O-N 2.88Å
26Q56.3Low63.2Low142 Ų14293.1 Ų93.166%0.66453%0.528SS*.  trans-68.6123.3-171.9-164.5173.315.100110.3T24T24-Q26 HydrophobicContact CG2-CB 3.78Å; T24-Q26 PolarHBondContact O-N 2.99Å
27A53.5Low64.7Low98 Ų9897.6 Ų97.681%0.8155%0.547SS*.  trans-76.5141169.600000110.1L25L25-A27 PolarHBondContact O-N 2.88Å
28G65.2Low65.8Low56 Ų5694.4 Ų94.458%0.57753%0.528SS*.SBendtrans109-179.6179.400000113.8I30G28-I30 PolarHBondContact O-N 2.95Å
29P64.7Low66.8Low141 Ų14190 Ų9092%0.91652%0.515SS*.PPolyproline II helixtrans-65.6119.3-18025.9-31.4000110.2
30I73.8Confident68.2Low42 Ų4289.5 Ų89.522%0.21552%0.515CS..PPolyproline II helixtrans-93.5161169.957.5177.4000109.7G28 E34 Q35 Q38G28-I30 PolarHBondContact O-N 2.95Å; I30-E34 HydrophobicContact CB-CB 4.24Å; I30-E34 HydrophobicContact CB-CG 4.1Å; I30-E34 HydrophobicContact CD1-CG 4.21Å; I30-E34 HydrophobicContact CG2-CG 4.43Å; I30-Q35 HydrophobicContact CD1-CB 3.87Å; I30-Q35 HydrophobicContact CD1-CG 4.35Å; I30-Q35 HydrophobicContact CG1-CB 4.09Å; I30-Q38 VanDerWaalsContact CD1-OE1 3.25Å
31S79.7Confident69.4Low68 Ų6890.9 Ų90.948%0.47652%0.521SS..PPolyproline II helixtrans-62.5152.8174.971.50000110.8E33 E34 Q35S31-E33 PolarHBondContact O-N 3.49Å; S31-E34 PolarHBondContact O-N 3.13Å; S31-E34 VanDerWaalsContact O-N 3.1Å; S31-E34 WeakPolarHBondContact OG-CB 3.2Å; S31-E34 PolarHBondContact OG-N 2.96Å; S31-E34 VanDerWaalsContact OG-N 3.13Å; S31-Q35 PolarHBondContact O-N 3.07Å
32A81Confident69.9Low79 Ų7985 Ų8565%0.65350%0.498SS*.Hα-helixtrans-57.8-32.6176.700000112.4K36A32-K36 WeakPolarHBondContact O-CB 3.43Å; A32-K36 PolarHBondContact O-N 2.74Å
33E82.8Confident70.6Confident161 Ų16187.4 Ų87.475%0.75249%0.493SS*.Hα-helixtrans-66.2-46.2174.8-66.1178.1171.300112S31 Q35 K36 K37S31-E33 PolarHBondContact O-N 3.49Å; E33-Q35 VanDerWaalsContact C-N 3.34Å; E33-K36 PolarHBondContact O-N 2.97Å; E33-K37 WeakPolarHBondContact O-CB 2.81Å; E33-K37 PolarHBondContact O-N 3.44Å
34E75.3Confident71.3Confident35 Ų3590.4 Ų90.416%0.16450%0.502CS..Hα-helixtrans-66.2-39.2177.3-177.457.5-15600110.9T24 I30 S31 K36 K37 Q38T24-E34 WeakPolarHBondContact CB-OE1 3.45Å; T24-E34 PolarHBondContact OG1-OE1 3.45Å; I30-E34 HydrophobicContact CB-CB 4.24Å; I30-E34 HydrophobicContact CB-CG 4.1Å; I30-E34 HydrophobicContact CD1-CG 4.21Å; I30-E34 HydrophobicContact CG2-CG 4.43Å; S31-E34 PolarHBondContact O-N 3.13Å; S31-E34 VanDerWaalsContact O-N 3.1Å; S31-E34 WeakPolarHBondContact OG-CB 3.2Å; S31-E34 PolarHBondContact OG-N 2.96Å; S31-E34 VanDerWaalsContact OG-N 3.13Å; E34-K36 VanDerWaalsContact C-N 3.34Å; E34-K36 PolarHBondContact O-N 3.21Å; E34-K37 PolarHBondContact O-N 3.3Å; E34-Q38 WeakPolarHBondContact O-CB 3.34Å; E34-Q38 VanDerWaalsContact O-CG 3.28Å; E34-Q38 WeakPolarHBondContact O-CG 3.29Å; E34-Q38 PolarHBondContact O-N 3.41Å; E34-Q38 PolarHBondContact OE1-NE2 3.45Å
35Q74.9Confident71.8Confident125 Ų12588.2 Ų88.258%0.58449%0.49SS*.Hα-helixtrans-60.2-43.6173.6-168.8179.514.300111.9I30 S31 E33 A39I30-Q35 HydrophobicContact CD1-CB 3.87Å; I30-Q35 HydrophobicContact CD1-CG 4.35Å; I30-Q35 HydrophobicContact CG1-CB 4.09Å; S31-Q35 PolarHBondContact O-N 3.07Å; E33-Q35 VanDerWaalsContact C-N 3.34Å; Q35-A39 WeakPolarHBondContact O-CB 3.36Å; Q35-A39 PolarHBondContact O-N 3.3Å
36K79.2Confident72.1Confident136 Ų13680.7 Ų80.759%0.59145%0.451SS*.Hα-helixtrans-64.4-46.7176.8-175-178.7174-1720111.3A32 E33 E34 Q38 A39 E40A32-K36 WeakPolarHBondContact O-CB 3.43Å; A32-K36 PolarHBondContact O-N 2.74Å; E33-K36 PolarHBondContact O-N 2.97Å; E34-K36 VanDerWaalsContact C-N 3.34Å; E34-K36 PolarHBondContact O-N 3.21Å; K36-Q38 PolarHBondContact O-N 2.87Å; K36-A39 WeakPolarHBondContact O-CB 3.46Å; K36-A39 PolarHBondContact O-N 3.38Å; K36-E40 WeakPolarHBondContact CE-OE1 3.45Å; K36-E40 WeakPolarHBondContact O-CG 3.21Å; K36-E40 PolarHBondContact O-N 2.93Å
37K78.9Confident72.7Confident105 Ų10579.8 Ų79.846%0.45745%0.445SS..Hα-helixtrans-59.9-44.7177.7-178.3-175.9172.6-165.80111.9E33 E34 E40 L41E33-K37 WeakPolarHBondContact O-CB 2.81Å; E33-K37 PolarHBondContact O-N 3.44Å; E34-K37 PolarHBondContact O-N 3.3Å; K37-E40 PolarHBondContact O-N 2.91Å; K37-L41 HydrophobicContact CG-CD1 4.44Å; K37-L41 WeakPolarHBondContact O-CG 3.26Å; K37-L41 PolarHBondContact O-N 3.46Å
38Q71.5Confident73.4Confident38 Ų3881.8 Ų81.818%0.17843%0.431CS..Hα-helixtrans-62.4-43.6175.6-73.1179.69.300111.8T24 I30 E34 K36 E40 L41 L42T24-Q38 PolarHBondContact O-NE2 2.99Å; I30-Q38 VanDerWaalsContact CD1-OE1 3.25Å; E34-Q38 WeakPolarHBondContact O-CB 3.34Å; E34-Q38 VanDerWaalsContact O-CG 3.28Å; E34-Q38 WeakPolarHBondContact O-CG 3.29Å; E34-Q38 PolarHBondContact O-N 3.41Å; E34-Q38 PolarHBondContact OE1-NE2 3.45Å; K36-Q38 PolarHBondContact O-N 2.87Å; Q38-E40 VanDerWaalsContact C-N 3.31Å; Q38-E40 PolarHBondContact O-N 3.4Å; Q38-L41 PolarHBondContact O-N 2.94Å; Q38-L42 WeakPolarHBondContact O-CB 3.15Å; Q38-L42 VanDerWaalsContact O-CG 3.29Å; Q38-L42 WeakPolarHBondContact O-CG 3.26Å; Q38-L42 PolarHBondContact O-N 3.29Å
39A72.8Confident73.4Confident43 Ų4380.6 Ų80.636%0.35542%0.416SS..Hα-helixtrans-61.1-39.917600000112Q35 K36 K43Q35-A39 WeakPolarHBondContact O-CB 3.36Å; Q35-A39 PolarHBondContact O-N 3.3Å; K36-A39 WeakPolarHBondContact O-CB 3.46Å; K36-A39 PolarHBondContact O-N 3.38Å; A39-K43 WeakPolarHBondContact O-CB 3.45Å; A39-K43 WeakPolarHBondContact O-CG 3.03Å; A39-K43 PolarHBondContact O-N 3.45Å
40E79.5Confident73.3Confident104 Ų10476 Ų7649%0.48638%0.382SS..Hα-helixtrans-65.9-44.4176.2-73.8172.9-179.400112.3K36 K37 Q38 L42 K43 E44K36-E40 WeakPolarHBondContact CE-OE1 3.45Å; K36-E40 WeakPolarHBondContact O-CG 3.21Å; K36-E40 PolarHBondContact O-N 2.93Å; K37-E40 PolarHBondContact O-N 2.91Å; Q38-E40 VanDerWaalsContact C-N 3.31Å; Q38-E40 PolarHBondContact O-N 3.4Å; E40-L42 PolarHBondContact O-N 3.39Å; E40-K43 WeakPolarHBondContact O-CB 3.46Å; E40-K43 PolarHBondContact O-N 3.44Å; E40-E44 PolarHBondContact O-N 2.91Å
41L76.6Confident73Confident38 Ų3880.1 Ų80.120%0.19940%0.401CS..Hα-helixtrans-61.4-43.1175.6-72.6172.3000112.3A20 A23 K37 Q38 E44 A45A20-L41 HydrophobicContact CB-CB 4.45Å; A23-L41 HydrophobicContact CB-CD1 4.39Å; K37-L41 HydrophobicContact CG-CD1 4.44Å; K37-L41 WeakPolarHBondContact O-CG 3.26Å; K37-L41 PolarHBondContact O-N 3.46Å; Q38-L41 PolarHBondContact O-N 2.94Å; L41-E44 PolarHBondContact O-N 3.42Å; L41-A45 WeakPolarHBondContact O-CB 3.28Å; L41-A45 PolarHBondContact O-N 2.97Å
42L68.9Low72.3Confident66 Ų6683.5 Ų83.535%0.34641%0.413SS..Hα-helixtrans-63-43.5175.6-71.9173.7000110.9V16 Q38 E40 E44 A45 S46V16-L42 HydrophobicContact CG1-CD2 3.48Å; V16-L42 VanDerWaalsContact CG1-CD2 3.48Å; Q38-L42 WeakPolarHBondContact O-CB 3.15Å; Q38-L42 VanDerWaalsContact O-CG 3.29Å; Q38-L42 WeakPolarHBondContact O-CG 3.26Å; Q38-L42 PolarHBondContact O-N 3.29Å; E40-L42 PolarHBondContact O-N 3.39Å; L42-E44 VanDerWaalsContact C-N 3.35Å; L42-E44 PolarHBondContact O-N 3.46Å; L42-A45 PolarHBondContact O-N 3.12Å; L42-S46 WeakPolarHBondContact O-CB 3.47Å; L42-S46 PolarHBondContact O-N 3.3Å; L42-S46 PolarHBondContact O-OG 2.87Å
43K72.1Confident71.6Confident104 Ų10482.2 Ų82.245%0.45240%0.397SS..Hα-helixtrans-60.6-41.9175.9-75.7176.7-179.7-176.20112.7F9 A39 E40 S46 K47F9-K43 HydrophobicContact CD1-CB 3.87Å; F9-K43 HydrophobicContact CD1-CG 3.64Å; F9-K43 HydrophobicContact CD2-CG 4.11Å; F9-K43 HydrophobicContact CE1-CB 3.7Å; F9-K43 HydrophobicContact CE1-CD 4.34Å; F9-K43 HydrophobicContact CE1-CG 3.6Å; F9-K43 HydrophobicContact CE2-CD 4.26Å; F9-K43 HydrophobicContact CE2-CG 4.03Å; F9-K43 HydrophobicContact CG-CG 3.9Å; F9-K43 HydrophobicContact CZ-CB 4.28Å; F9-K43 HydrophobicContact CZ-CD 4.1Å; F9-K43 HydrophobicContact CZ-CG 3.82Å; A39-K43 WeakPolarHBondContact O-CB 3.45Å; A39-K43 WeakPolarHBondContact O-CG 3.03Å; A39-K43 PolarHBondContact O-N 3.45Å; E40-K43 WeakPolarHBondContact O-CB 3.46Å; E40-K43 PolarHBondContact O-N 3.44Å; K43-S46 WeakPolarHBondContact O-CB 3.29Å; K43-S46 PolarHBondContact O-N 3Å; K43-K47 PolarHBondContact O-N 2.78Å
44E73.6Confident70.9Confident95 Ų9581.7 Ų81.744%0.44440%0.395SS..Hα-helixtrans-68.5-43.6179.2-167.5-176.3170.200111.7E40 L41 L42 S46 K47 R48E40-E44 PolarHBondContact O-N 2.91Å; L41-E44 PolarHBondContact O-N 3.42Å; L42-E44 VanDerWaalsContact C-N 3.35Å; L42-E44 PolarHBondContact O-N 3.46Å; E44-S46 VanDerWaalsContact C-N 3.31Å; E44-S46 PolarHBondContact O-N 3.33Å; E44-K47 PolarHBondContact O-N 3.19Å; E44-R48 WeakPolarHBondContact O-CG 3.25Å; E44-R48 PolarHBondContact O-N 3.05Å; E44-R48 IonicContact OE1-CZ 3.31Å; E44-R48 VanDerWaalsContact OE1-CZ 3.31Å; E44-R48 IonicContact OE1-NE 3.76Å; E44-R48 IonicContact OE1-NH2 2.64Å; E44-R48 PolarHBondContact OE1-NH2 2.89Å
45A67Low70.6Confident15 Ų1586.5 Ų86.512%0.12442%0.417CS..Hα-helixtrans-57.4-48.5172.700000110.3I12 V16 L41 L42 K47 R48 A49I12-A45 WeakPolarHBondContact CD1-O 3.37Å; V16-A45 HydrophobicContact CG1-CB 3.93Å; L41-A45 WeakPolarHBondContact O-CB 3.28Å; L41-A45 PolarHBondContact O-N 2.97Å; L42-A45 PolarHBondContact O-N 3.12Å; A45-K47 PolarHBondContact O-N 3.24Å; A45-R48 PolarHBondContact O-N 3.16Å; A45-R48 VanDerWaalsContact O-N 3.13Å; A45-A49 PolarHBondContact O-N 3.05Å
46S66Low70.9Confident3 Ų383.1 Ų83.12%0.02140%0.403CS..Hα-helixtrans-49.4-48.8173.2-75.20000114.1F9 I12 L42 K43 E44 R48 E50F9-S46 VanDerWaalsContact CA-OG 3.28Å; F9-S46 WeakPolarHBondContact CA-OG 3.46Å; F9-S46 PolarHBondContact O-OG 3.4Å; I12-S46 VanDerWaalsContact CD1-N 3.31Å; I12-S46 WeakPolarHBondContact CD1-O 3.2Å; L42-S46 WeakPolarHBondContact O-CB 3.47Å; L42-S46 PolarHBondContact O-N 3.3Å; L42-S46 PolarHBondContact O-OG 2.87Å; K43-S46 WeakPolarHBondContact O-CB 3.29Å; K43-S46 PolarHBondContact O-N 3Å; E44-S46 VanDerWaalsContact C-N 3.31Å; E44-S46 PolarHBondContact O-N 3.33Å; S46-R48 PolarHBondContact O-N 3.03Å; S46-E50 WeakPolarHBondContact O-CG 3.47Å; S46-E50 PolarHBondContact O-N 2.74Å
47K69.8Low71.3Confident124 Ų12480.4 Ų80.454%0.53940%0.399SS..Hα-helixtrans-63.6-43.1177.2-168.6-178.3177.9-164.40112.1K43 E44 A45 A49 E50 E51K43-K47 PolarHBondContact O-N 2.78Å; E44-K47 PolarHBondContact O-N 3.19Å; A45-K47 PolarHBondContact O-N 3.24Å; K47-A49 PolarHBondContact O-N 2.8Å; K47-E50 PolarHBondContact O-N 3.2Å; K47-E51 WeakPolarHBondContact CE-OE1 3.27Å; K47-E51 IonicContact NZ-OE1 2.69Å; K47-E51 WeakPolarHBondContact O-CG 3.04Å; K47-E51 PolarHBondContact O-N 3Å
48R68.2Low71.9Confident140 Ų14077.2 Ų77.253%0.52839%0.39SS..Hα-helixtrans-64.1-38.2-178-73.7177.2-179.9166.72.4113.9E44 A45 S46 N52E44-R48 WeakPolarHBondContact O-CG 3.25Å; E44-R48 PolarHBondContact O-N 3.05Å; E44-R48 IonicContact OE1-CZ 3.31Å; E44-R48 VanDerWaalsContact OE1-CZ 3.31Å; E44-R48 IonicContact OE1-NE 3.76Å; E44-R48 IonicContact OE1-NH2 2.64Å; E44-R48 PolarHBondContact OE1-NH2 2.89Å; A45-R48 PolarHBondContact O-N 3.16Å; A45-R48 VanDerWaalsContact O-N 3.13Å; S46-R48 PolarHBondContact O-N 3.03Å; R48-N52 PolarHBondContact O-ND2 3.02Å
49A64.3Low73Confident31 Ų3176.2 Ų76.226%0.25639%0.387SS..Hα-helixtrans-78.5-25.917500000113I12 A45 K47 N52 V53I12-A49 HydrophobicContact CB-CB 4.45Å; I12-A49 HydrophobicContact CD1-CB 3.17Å; I12-A49 HydrophobicContact CG1-CB 3.65Å; I12-A49 HydrophobicContact CG2-CB 3.98Å; A45-A49 PolarHBondContact O-N 3.05Å; K47-A49 PolarHBondContact O-N 2.8Å; A49-N52 PolarHBondContact O-N 2.67Å; A49-V53 WeakPolarHBondContact O-CG2 2.95Å; A49-V53 PolarHBondContact O-N 2.89Å
50E63.5Low74.1Confident45 Ų4575.1 Ų75.121%0.2138%0.38CS..Hα-helixtrans-64.5-42.7169.8-74.6-166.915300112R8 S46 K47 N52 V53R8-E50 WeakPolarHBondContact CA-OE1 3.35Å; R8-E50 WeakPolarHBondContact CB-OE1 3.22Å; R8-E50 WeakPolarHBondContact CB-OE2 3.17Å; R8-E50 WeakPolarHBondContact CD-OE2 3.38Å; R8-E50 VanDerWaalsContact CG-OE1 3.27Å; R8-E50 WeakPolarHBondContact CG-OE1 3.25Å; S46-E50 WeakPolarHBondContact O-CG 3.47Å; S46-E50 PolarHBondContact O-N 2.74Å; K47-E50 PolarHBondContact O-N 3.2Å; E50-N52 PolarHBondContact O-N 2.86Å; E50-N52 VanDerWaalsContact O-N 3.12Å; E50-V53 PolarHBondContact O-N 2.98Å
51E67.3Low74.9Confident128 Ų12870.9 Ų70.960%0.59836%0.36SS*.Hα-helixtrans-59.3-23.6176-74171.6176.400112.7K47K47-E51 WeakPolarHBondContact CE-OE1 3.27Å; K47-E51 IonicContact NZ-OE1 2.69Å; K47-E51 WeakPolarHBondContact O-CG 3.04Å; K47-E51 PolarHBondContact O-N 3Å
52N65.1Low75.9Confident138 Ų13872.9 Ų72.974%0.73837%0.365SS*.THydrogen-bonded Turntrans-86.6-8.8175.3-67.8-40.4000113.8R48 A49 E50R48-N52 PolarHBondContact O-ND2 3.02Å; A49-N52 PolarHBondContact O-N 2.67Å; E50-N52 PolarHBondContact O-N 2.86Å; E50-N52 VanDerWaalsContact O-N 3.12Å
53V66.5Low77.3Confident52 Ų5269.8 Ų69.832%0.31535%0.348SS..SBendtrans-98.4107.4177.2179.40000108.4A49 E50 Q55A49-V53 WeakPolarHBondContact O-CG2 2.95Å; A49-V53 PolarHBondContact O-N 2.89Å; E50-V53 PolarHBondContact O-N 2.98Å; V53-Q55 HydrophobicContact CG1-CG 4.42Å; V53-Q55 PolarHBondContact O-N 3.27Å
54E67.5Low78.6Confident150 Ų15064.8 Ų64.870%0.70133%0.327SS*.  trans-62.4107.5170.8-171.4-178.3-175.600109.6L56E54-L56 HydrophobicContact CG-CD2 4.46Å
55Q69.4Low79.8Confident137 Ų13760.3 Ų60.364%0.6431%0.306SS*.  trans-94.199.3173-74.6-172.98.300109.5V53V53-Q55 HydrophobicContact CG1-CG 4.42Å; V53-Q55 PolarHBondContact O-N 3.27Å
56L80.9Confident81.3Confident54 Ų5459.6 Ų59.628%0.28330%0.3SS..PPolyproline II helixtrans-69.7151.5169.1-65.6170.3000110.6E54 V295E54-L56 HydrophobicContact CG-CD2 4.46Å; L56-V295 HydrophobicContact CB-CB 4.4Å; L56-V295 HydrophobicContact CB-CG1 3.85Å; L56-V295 HydrophobicContact CD1-CG1 3.93Å
57P87.7Confident82.8Confident78 Ų7860.4 Ų60.451%0.50630%0.302SS..PPolyproline II helixtrans-52.8142.5172.4-25.635.2000111.7V295 E296P57-V295 CarbonylContact O-C 3.48Å; P57-V295 WeakPolarHBondContact O-CA 3.08Å; P57-E296 HydrophobicContact CB-CB 3.86Å; P57-E296 WeakPolarHBondContact CB-OE2 3.05Å; P57-E296 WeakPolarHBondContact O-CB 3.4Å; P57-E296 PolarHBondContact O-N 3.1Å
58S91.3Very high84.2Confident38 Ų3854.6 Ų54.627%0.26628%0.277SS..EExtended strand (participates in β ladder)trans-95.3144-176.7177.70000111.6G60 E294S58-G60 PolarHBondContact O-N 3.12Å; S58-G60 PolarHBondContact OG-N 2.96Å; S58-G60 VanDerWaalsContact OG-N 3.08Å; S58-E294 PolarHBondContact OG-O 3.07Å
59S94.8Very high85.6Confident18 Ų1848 Ų4813%0.12625%0.253CS..EExtended strand (participates in β ladder)trans-72.9-3169.974.10000113.6R61 P244 E294 V295S59-R61 VanDerWaalsContact C-N 3.28Å; S59-R61 PolarHBondContact OG-N 3.14Å; S59-P244 VanDerWaalsContact O-CB 3.27Å; S59-P244 WeakPolarHBondContact O-CB 3.4Å; S59-E294 PolarHBondContact N-O 2.67Å; S59-E294 WeakPolarHBondContact OG-CB 3.37Å; S59-E294 PolarHBondContact OG-O 3.41Å; S59-E294 PolarHBondContact OG-OE2 3.34Å; S59-E294 VanDerWaalsContact OG-OE2 3.11Å; S59-V295 WeakPolarHBondContact CB-O 3.3Å
60G95.4Very high87.2Confident20 Ų2048.3 Ų48.321%0.20625%0.249CC..EExtended strand (participates in β ladder)trans79.56.2-173.500000114S58 P245 W246S58-G60 PolarHBondContact O-N 3.12Å; S58-G60 PolarHBondContact OG-N 2.96Å; S58-G60 VanDerWaalsContact OG-N 3.08Å; G60-P245 CarbonylContact O-C 3.57Å; G60-P245 VanDerWaalsContact O-CA 3.28Å; G60-P245 WeakPolarHBondContact O-CA 3.38Å; G60-W246 PolarHBondContact O-N 3.42Å
61R97.6Very high88.9Confident14 Ų1447.9 Ų47.95%0.05325%0.245CC..EExtended strand (participates in β ladder)trans-100.2113.2177.7-60.7176.965.9-151.715.3109.5S59 I238 P244 W246 E294 W301S59-R61 VanDerWaalsContact C-N 3.28Å; S59-R61 PolarHBondContact OG-N 3.14Å; R61-I238 PolarHBondContact NH2-O 3.46Å; R61-P244 HydrophobicContact CG-CB 3.82Å; R61-P244 HydrophobicContact CG-CG 4.44Å; R61-W246 HydrophobicContact CB-CD2 4.14Å; R61-W246 HydrophobicContact CB-CE3 4.23Å; R61-W246 HydrophobicContact CB-CH2 3.78Å; R61-W246 HydrophobicContact CB-CZ2 3.68Å; R61-W246 HydrophobicContact CB-CZ3 4.04Å; R61-W246 HydrophobicContact CG-CD2 4.19Å; R61-W246 HydrophobicContact CG-CH2 4.38Å; R61-W246 HydrophobicContact CG-CZ2 3.77Å; R61-E294 HydrophobicContact CB-CB 4.23Å; R61-E294 VanDerWaalsContact CD-OE2 3.26Å; R61-E294 WeakPolarHBondContact CD-OE2 3.39Å; R61-E294 IonicContact CZ-OE2 3.57Å; R61-E294 IonicContact NE-OE2 3.78Å; R61-E294 IonicContact NH1-OE1 2.63Å; R61-E294 PolarHBondContact NH1-OE1 3.23Å; R61-E294 IonicContact NH1-OE2 3.63Å; R61-E294 PolarHBondContact NH1-OE2 3.3Å; R61-E294 PolarHBondContact O-N 3.28Å; R61-W301 HydrophobicContact CB-CH2 4.06Å
62R97.6Very high90.3Very high81 Ų8141.8 Ų41.831%0.30622%0.217SC..EExtended strand (participates in β ladder)trans-127.5132-176.1-64.2177.9173.5157.10.5111.9F64 W246 N247 I248 L292 E293 M304R62-F64 HydrophobicContact CB-CE2 3.76Å; R62-F64 HydrophobicContact CB-CZ 4.44Å; R62-W246 PolarHBondContact N-O 2.85Å; R62-W246 VanDerWaalsContact O-CZ3 3.24Å; R62-W246 WeakPolarHBondContact O-CZ3 3.28Å; R62-N247 WeakPolarHBondContact CB-OD1 3.33Å; R62-N247 WeakPolarHBondContact CD-OD1 3.29Å; R62-N247 CarbonylContact O-C 3.56Å; R62-N247 WeakPolarHBondContact O-CA 3.49Å; R62-I248 PolarHBondContact O-N 3.22Å; R62-L292 CarbonylContact C-O 3.51Å; R62-L292 VanDerWaalsContact CA-O 3.29Å; R62-L292 WeakPolarHBondContact CA-O 3.47Å; R62-E293 HydrophobicContact CG-CB 3.94Å; R62-E293 IonicContact NE-OE2 3.83Å; R62-E293 IonicContact NH2-OE2 3.96Å; R62-M304 HydrophobicContact CG-SD 4.13Å
63L98.2Very high91.9Very high0 Ų037 Ų370%019%0.191CC..EExtended strand (participates in β ladder)trans-116.4127.4-178.7-175.568.4000109.9L65 I234 I238 I248 V250 L264 A291 L292 W301L63-L65 HydrophobicContact CD1-CD2 4.38Å; L63-L65 HydrophobicContact CD2-CD2 3.81Å; L63-L65 HydrophobicContact CD2-CG 4.28Å; L63-L65 HydrophobicContact CG-CD2 3.91Å; L63-L65 HydrophobicContact CG-CG 4.3Å; L63-I234 HydrophobicContact CD2-CG2 3.94Å; L63-I238 HydrophobicContact CD2-CD1 4.28Å; L63-I248 HydrophobicContact CD1-CB 3.95Å; L63-I248 HydrophobicContact CD1-CG2 3.9Å; L63-V250 HydrophobicContact CD1-CG2 3.69Å; L63-L264 HydrophobicContact CD2-CD1 3.65Å; L63-A291 CarbonylContact O-C 3.57Å; L63-A291 WeakPolarHBondContact O-CA 3.44Å; L63-L292 HydrophobicContact CB-CB 4.45Å; L63-L292 PolarHBondContact N-O 3.08Å; L63-L292 PolarHBondContact O-N 3.45Å; L63-W301 HydrophobicContact CB-CZ3 4.02Å
64F98.5Very high93.3Very high0 Ų042.4 Ų42.40%021%0.206CC..EExtended strand (participates in β ladder)trans-115.3108.4178.7-64.2-100.6000108.6R62 V137 F139 N247 I248 L249 V250 V289 A291 A307 L308R62-F64 HydrophobicContact CB-CE2 3.76Å; R62-F64 HydrophobicContact CB-CZ 4.44Å; F64-V137 HydrophobicContact CE1-CG1 3.97Å; F64-V137 HydrophobicContact CE1-CG2 4.31Å; F64-V137 HydrophobicContact CE2-CG1 3.74Å; F64-V137 HydrophobicContact CZ-CB 4.3Å; F64-V137 HydrophobicContact CZ-CG1 3.43Å; F64-V137 VanDerWaalsContact CZ-CG1 3.43Å; F64-V137 HydrophobicContact CZ-CG2 3.88Å; F64-F139 HydrophobicContact CB-CE1 4.09Å; F64-F139 HydrophobicContact CD1-CE1 4.22Å; F64-F139 HydrophobicContact CD2-CD1 4.32Å; F64-F139 AromaticContact CD2-CE1 3.86Å; F64-F139 HydrophobicContact CD2-CE1 3.86Å; F64-F139 HydrophobicContact CE2-CE1 4.37Å; F64-F139 AromaticContact CG-CE1 3.79Å; F64-F139 HydrophobicContact CG-CE1 3.79Å; F64-N247 HydrophobicContact CD2-CB 4.26Å; F64-N247 HydrophobicContact CE2-CB 3.8Å; F64-I248 PolarHBondContact N-O 3.27Å; F64-L249 HydrophobicContact CB-CD1 4.01Å; F64-L249 CarbonylContact O-C 3.53Å; F64-L249 WeakPolarHBondContact O-CA 3.49Å; F64-V250 PolarHBondContact O-N 3.38Å; F64-V289 HydrophobicContact CB-CG1 4.39Å; F64-V289 HydrophobicContact CD1-CG1 4.34Å; F64-A291 HydrophobicContact CD1-CB 3.72Å; F64-A291 HydrophobicContact CE1-CB 3.75Å; F64-A307 HydrophobicContact CE1-CB 3.92Å; F64-L308 HydrophobicContact CD1-CD1 4.27Å; F64-L308 HydrophobicContact CD1-CD2 4.5Å; F64-L308 HydrophobicContact CD1-CG 4.32Å; F64-L308 HydrophobicContact CE1-CD2 4.05Å; F64-L308 HydrophobicContact CE1-CG 4.19Å
65L98.6Very high94.7Very high1 Ų137.9 Ų37.91%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-96111.9177.5-53172000108.5L63 I234 V250 L257 A260 V289 V290L63-L65 HydrophobicContact CD1-CD2 4.38Å; L63-L65 HydrophobicContact CD2-CD2 3.81Å; L63-L65 HydrophobicContact CD2-CG 4.28Å; L63-L65 HydrophobicContact CG-CD2 3.91Å; L63-L65 HydrophobicContact CG-CG 4.3Å; L65-I234 HydrophobicContact CD2-CD1 4.04Å; L65-V250 HydrophobicContact CD2-CB 3.83Å; L65-V250 HydrophobicContact CD2-CG1 4.21Å; L65-V250 HydrophobicContact CD2-CG2 4.14Å; L65-L257 HydrophobicContact CB-CD1 4.29Å; L65-L257 HydrophobicContact CB-CG 4.09Å; L65-A260 HydrophobicContact CD1-CB 3.81Å; L65-A260 HydrophobicContact CD2-CB 3.86Å; L65-A260 HydrophobicContact CG-CB 4.47Å; L65-V289 CarbonylContact O-C 3.57Å; L65-V289 VanDerWaalsContact O-CA 3.31Å; L65-V289 WeakPolarHBondContact O-CA 3.48Å; L65-V290 HydrophobicContact CB-CB 4.25Å; L65-V290 HydrophobicContact CD1-CB 4.49Å; L65-V290 HydrophobicContact CD1-CG1 4.39Å; L65-V290 PolarHBondContact N-O 2.91Å; L65-V290 PolarHBondContact O-N 3.47Å
66A98.6Very high96.1Very high0 Ų032.5 Ų32.50%016%0.163CC..EExtended strand (participates in β ladder)trans-115.8134.8-175.100000112.2M157 L249 V250 V251 G252 A288 V289A66-M157 HydrophobicContact CB-CE 3.85Å; A66-M157 HydrophobicContact CB-SD 4.24Å; A66-L249 HydrophobicContact CB-CD1 3.95Å; A66-V250 PolarHBondContact N-O 2.82Å; A66-V251 HydrophobicContact CB-CG2 4.47Å; A66-V251 WeakPolarHBondContact O-CA 3.37Å; A66-G252 PolarHBondContact O-N 3.17Å; A66-A288 CarbonylContact C-O 3.59Å; A66-A288 WeakPolarHBondContact CA-O 3.38Å; A66-V289 HydrophobicContact CB-CG2 3.99Å
67R98.6Very high96.9Very high19 Ų1935.2 Ų35.27%0.07218%0.184CC..EExtended strand (participates in β ladder)trans-80.5140.8168.8-175.6-175.3177.9-169.3-1.7108.7A254 L257 G281 F284 P285 Y286 G287 A288R67-A254 HydrophobicContact CG-CB 4.49Å; R67-L257 HydrophobicContact CB-CD1 4.24Å; R67-L257 HydrophobicContact CB-CD2 4.48Å; R67-G281 PolarHBondContact NH1-O 3.36Å; R67-G281 VanDerWaalsContact NH1-O 3.16Å; R67-F284 WeakPolarHBondContact CD-O 3.44Å; R67-F284 PolarHBondContact NH1-O 3.32Å; R67-P285 VanDerWaalsContact CD-O 3.27Å; R67-P285 WeakPolarHBondContact CD-O 3.32Å; R67-Y286 VanDerWaalsContact NH2-CZ 3.31Å; R67-G287 WeakPolarHBondContact O-CA 3.49Å; R67-G287 PolarHBondContact O-N 2.92Å; R67-A288 PolarHBondContact N-O 3.42Å
68H98.8Very high97.2Very high3 Ų333 Ų331%0.01418%0.175CC..  trans-54.7164.1169.365.872.1000113.4R149 S153 G252 H253 Y286 G287H68-R149 HydrophobicContact CB-CB 4.32Å; H68-R149 HydrophobicContact CB-CG 4.15Å; H68-R149 PolarHBondContact CD2-NE 2.84Å; H68-R149 VanDerWaalsContact CD2-NE 3.32Å; H68-R149 VanDerWaalsContact CE1-CD 3.42Å; H68-R149 WeakPolarHBondContact CE1-CD 3.33Å; H68-R149 PolarHBondContact CE1-NE 2.78Å; H68-R149 WeakPolarHBondContact NE2-CD 3.44Å; H68-R149 PolarHBondContact NE2-NE 3.11Å; H68-S153 VanDerWaalsContact CA-OG 3.31Å; H68-S153 WeakPolarHBondContact CA-OG 3.16Å; H68-S153 WeakPolarHBondContact CB-OG 3.45Å; H68-G252 PolarHBondContact CD2-O 3.13Å; H68-G252 VanDerWaalsContact CD2-O 3.28Å; H68-G252 PolarHBondContact N-O 3.19Å; H68-H253 AromaticContact CD2-ND1 3.51Å; H68-H253 AromaticContact NE2-ND1 3.65Å; H68-Y286 AromaticContact CE1-CE1 3.79Å; H68-G287 PolarHBondContact O-N 3.06Å; H68-G287 VanDerWaalsContact O-N 3.08Å
69G98.2Very high97.5Very high1 Ų131.4 Ų31.41%0.0116%0.164CC..  trans-69.2179.2176.600000114.6S153 Y286G69-S153 PolarHBondContact N-OG 2.86Å; G69-Y286 WeakPolarHBondContact O-CD1 3.27Å
70E97.8Very high97.6Very high38 Ų3832.7 Ų32.718%0.17817%0.169CC..  trans-50.8138.4175.1176.5-177-100.400111.9V75 N96 C117 T118 Y286E70-V75 HydrophobicContact CG-CG2 3.53Å; E70-V75 WeakPolarHBondContact OE1-CG2 3.47Å; E70-V75 WeakPolarHBondContact OE2-CG2 3.5Å; E70-N96 PolarHBondContact OE2-ND2 3.17Å; E70-C117 CarbonylContact O-C 3.59Å; E70-C117 WeakPolarHBondContact O-CA 3.25Å; E70-T118 WeakPolarHBondContact CB-OG1 3.49Å; E70-T118 HydrophobicContact CG-CG2 3.95Å; E70-T118 WeakPolarHBondContact CG-OG1 3.38Å; E70-T118 PolarHBondContact O-N 3.02Å; E70-T118 WeakPolarHBondContact OE2-CB 3.37Å; E70-T118 WeakPolarHBondContact OE2-CG2 3.48Å; E70-T118 PolarHBondContact OE2-OG1 3.08Å; E70-Y286 HydrophobicContact CB-CD2 4.47Å; E70-Y286 HydrophobicContact CB-CG 4.45Å
71R98.1Very high97.6Very high35 Ų3541.2 Ų41.213%0.13220%0.195CC..BIsolated β-bridgetrans-97.4143.7-175.1-65.4165.450.71520.5112.2D73 R74 V75 Y286R71-D73 WeakPolarHBondContact CB-OD1 3.42Å; R71-D73 IonicContact CZ-OD1 3.71Å; R71-D73 IonicContact CZ-OD2 3.42Å; R71-D73 IonicContact NE-OD1 3.53Å; R71-D73 PolarHBondContact NE-OD1 3.47Å; R71-D73 IonicContact NE-OD2 3.29Å; R71-D73 IonicContact NH2-OD1 2.87Å; R71-D73 PolarHBondContact NH2-OD1 3.4Å; R71-D73 IonicContact NH2-OD2 2.85Å; R71-D73 PolarHBondContact NH2-OD2 3.15Å; R71-D73 PolarHBondContact O-N 3.22Å; R71-R74 HydrophobicContact CB-CB 4.37Å; R71-R74 HydrophobicContact CB-CG 4.08Å; R71-R74 PolarHBondContact O-N 3.41Å; R71-V75 PolarHBondContact O-N 3.05Å; R71-Y286 HydrophobicContact CG-CE1 3.97Å
72M98.1Very high97.6Very high0 Ų045 Ų450%022%0.216CC..Hα-helixtrans-58-45.1177.9-165.655.435.900114.1R74 V75 F76 W79 M97 P98 T115 P116 C117 T118M72-R74 PolarHBondContact O-N 3.03Å; M72-V75 PolarHBondContact O-N 2.96Å; M72-F76 HydrophobicContact CE-CD2 4.45Å; M72-F76 WeakPolarHBondContact O-CA 3.31Å; M72-F76 PolarHBondContact O-N 3.03Å; M72-F76 HydrophobicContact SD-CD2 3.42Å; M72-F76 WeakPolarHBondContact SD-CD2 3.47Å; M72-F76 HydrophobicContact SD-CE2 3.97Å; M72-F76 HydrophobicContact SD-CG 4.38Å; M72-W79 HydrophobicContact CB-CD2 4.4Å; M72-W79 HydrophobicContact CB-CZ2 4.39Å; M72-W79 HydrophobicContact CG-CB 4.32Å; M72-W79 HydrophobicContact CG-CD2 3.45Å; M72-W79 VanDerWaalsContact CG-CD2 3.45Å; M72-W79 HydrophobicContact CG-CE3 3.85Å; M72-W79 HydrophobicContact CG-CG 3.69Å; M72-W79 HydrophobicContact CG-CH2 4.49Å; M72-W79 HydrophobicContact CG-CZ2 4.18Å; M72-W79 HydrophobicContact CG-CZ3 4.35Å; M72-M97 HydrophobicContact SD-CB 4.2Å; M72-M97 HydrophobicContact SD-CE 3.91Å; M72-M97 HydrophobicContact SD-CG 3.76Å; M72-P98 HydrophobicContact CE-CG 4.19Å; M72-T115 HydrophobicContact CB-CG2 3.65Å; M72-P116 HydrophobicContact CB-CG 4.08Å; M72-P116 PolarHBondContact N-O 2.79Å; M72-C117 WeakPolarHBondContact CE-O 3.37Å; M72-T118 HydrophobicContact CE-CG2 3.32Å; M72-T118 HydrophobicContact SD-CG2 4.35Å
73D97.7Very high97.6Very high37 Ų3741.2 Ų41.220%0.19820%0.201CC..Hα-helixtrans-67.4-21.3-178.267.5-42.5000113.5R71 P77 T115R71-D73 WeakPolarHBondContact CB-OD1 3.42Å; R71-D73 IonicContact CZ-OD1 3.71Å; R71-D73 IonicContact CZ-OD2 3.42Å; R71-D73 IonicContact NE-OD1 3.53Å; R71-D73 PolarHBondContact NE-OD1 3.47Å; R71-D73 IonicContact NE-OD2 3.29Å; R71-D73 IonicContact NH2-OD1 2.87Å; R71-D73 PolarHBondContact NH2-OD1 3.4Å; R71-D73 IonicContact NH2-OD2 2.85Å; R71-D73 PolarHBondContact NH2-OD2 3.15Å; R71-D73 PolarHBondContact O-N 3.22Å; D73-P77 WeakPolarHBondContact O-CA 3.44Å; D73-T115 HydrophobicContact CB-CG2 3.8Å
74R96.2Very high97.5Very high166 Ų16642.7 Ų42.763%0.62621%0.208SC*.Hα-helixtrans-85.6-35.5-179.5-66.5-67.9-176.7156.40.8112.5R71 M72 Y286R71-R74 HydrophobicContact CB-CB 4.37Å; R71-R74 HydrophobicContact CB-CG 4.08Å; R71-R74 PolarHBondContact O-N 3.41Å; M72-R74 PolarHBondContact O-N 3.03Å; R74-Y286 WeakPolarHBondContact CG-OH 3.5Å
75V97.6Very high97.3Very high55 Ų5545.2 Ų45.233%0.33323%0.226SC..Hα-helixtrans-82.5-38.8175.3-176.90000110.8E70 R71 M72 P77 T118E70-V75 HydrophobicContact CG-CG2 3.53Å; E70-V75 WeakPolarHBondContact OE1-CG2 3.47Å; E70-V75 WeakPolarHBondContact OE2-CG2 3.5Å; R71-V75 PolarHBondContact O-N 3.05Å; M72-V75 PolarHBondContact O-N 2.96Å; V75-P77 WeakPolarHBondContact O-CD 2.94Å; V75-T118 HydrophobicContact CB-CG2 4.22Å; V75-T118 HydrophobicContact CG2-CG2 3.88Å
76F97.9Very high96.9Very high25 Ų2554.5 Ų54.511%0.1127%0.269CS..  trans-127.574-173.7-55-75.3000111.3M72 G78 W79 Y93 D94 N96 M97 T118M72-F76 HydrophobicContact CE-CD2 4.45Å; M72-F76 WeakPolarHBondContact O-CA 3.31Å; M72-F76 PolarHBondContact O-N 3.03Å; M72-F76 HydrophobicContact SD-CD2 3.42Å; M72-F76 WeakPolarHBondContact SD-CD2 3.47Å; M72-F76 HydrophobicContact SD-CE2 3.97Å; M72-F76 HydrophobicContact SD-CG 4.38Å; F76-G78 PolarHBondContact O-N 2.98Å; F76-W79 HydrophobicContact CB-CB 3.79Å; F76-W79 VanDerWaalsContact O-CB 3.23Å; F76-W79 WeakPolarHBondContact O-CB 3.21Å; F76-W79 PolarHBondContact O-N 3.1Å; F76-Y93 HydrophobicContact CD1-CE2 4.06Å; F76-Y93 HydrophobicContact CE1-CE2 4.37Å; F76-D94 HydrophobicContact CE1-CB 3.79Å; F76-D94 HydrophobicContact CZ-CB 3.72Å; F76-N96 HydrophobicContact CE2-CB 4.17Å; F76-N96 HydrophobicContact CZ-CB 4.04Å; F76-M97 HydrophobicContact CD2-CG 4.07Å; F76-M97 HydrophobicContact CE2-CG 3.75Å; F76-M97 HydrophobicContact CZ-CG 4.12Å; F76-T118 HydrophobicContact CE2-CG2 4.4Å
77P96.9Very high96.5Very high111 Ų11163.2 Ų63.272%0.72131%0.307SS*.THydrogen-bonded Turntrans-55.5-28.6-174.1-27.935.2000115.3D73 V75D73-P77 WeakPolarHBondContact O-CA 3.44Å; V75-P77 WeakPolarHBondContact O-CD 2.94Å
78G95.9Very high96.2Very high32 Ų3263.9 Ų63.933%0.3332%0.32SS..THydrogen-bonded Turntrans-90.46.7178.100000115.5F76 L80 R81 L82F76-G78 PolarHBondContact O-N 2.98Å; G78-L80 PolarHBondContact O-N 3.49Å; G78-R81 PolarHBondContact O-N 3.29Å; G78-R81 VanDerWaalsContact O-N 3.09Å; G78-L82 WeakPolarHBondContact O-CG 3.36Å; G78-L82 PolarHBondContact O-N 2.8Å; G78-L82 VanDerWaalsContact O-N 3.17Å
79W97.5Very high95.9Very high4 Ų470.1 Ų70.12%0.01535%0.351CS..Hα-helixtrans-60.1-37.7-166.476.3-78000114.4M72 F76 R81 L82 A83 F84 Y90 M97 L101 F111 T115 P116M72-W79 HydrophobicContact CB-CD2 4.4Å; M72-W79 HydrophobicContact CB-CZ2 4.39Å; M72-W79 HydrophobicContact CG-CB 4.32Å; M72-W79 HydrophobicContact CG-CD2 3.45Å; M72-W79 VanDerWaalsContact CG-CD2 3.45Å; M72-W79 HydrophobicContact CG-CE3 3.85Å; M72-W79 HydrophobicContact CG-CG 3.69Å; M72-W79 HydrophobicContact CG-CH2 4.49Å; M72-W79 HydrophobicContact CG-CZ2 4.18Å; M72-W79 HydrophobicContact CG-CZ3 4.35Å; F76-W79 HydrophobicContact CB-CB 3.79Å; F76-W79 VanDerWaalsContact O-CB 3.23Å; F76-W79 WeakPolarHBondContact O-CB 3.21Å; F76-W79 PolarHBondContact O-N 3.1Å; W79-R81 PolarHBondContact O-N 3.02Å; W79-L82 PolarHBondContact O-N 3.25Å; W79-A83 HydrophobicContact CE3-CB 4.44Å; W79-A83 WeakPolarHBondContact O-CB 3.47Å; W79-A83 PolarHBondContact O-N 3.25Å; W79-F84 HydrophobicContact CE3-CE2 4.1Å; W79-F84 HydrophobicContact CH2-CE2 4.42Å; W79-F84 AromaticContact CZ3-CE2 3.64Å; W79-F84 HydrophobicContact CZ3-CE2 3.64Å; W79-F84 HydrophobicContact CZ3-CZ 4.15Å; W79-Y90 HydrophobicContact CZ3-CE2 4.37Å; W79-M97 HydrophobicContact CB-CE 4.17Å; W79-M97 HydrophobicContact CE3-CE 4.3Å; W79-L101 HydrophobicContact CH2-CD1 3.98Å; W79-L101 HydrophobicContact CZ3-CD1 3.54Å; W79-F111 HydrophobicContact CH2-CB 3.6Å; W79-F111 HydrophobicContact CH2-CD1 4.25Å; W79-F111 HydrophobicContact CH2-CD2 4.17Å; W79-F111 AromaticContact CH2-CG 3.78Å; W79-F111 HydrophobicContact CH2-CG 3.78Å; W79-F111 HydrophobicContact CZ2-CB 3.74Å; W79-F111 HydrophobicContact CZ2-CG 4.4Å; W79-T115 HydrophobicContact CZ2-CG2 4.08Å; W79-P116 HydrophobicContact CH2-CG 4Å; W79-P116 HydrophobicContact CZ2-CG 4.34Å
80L95.7Very high95.9Very high45 Ų4572.2 Ų72.224%0.23636%0.359CS..Hα-helixtrans-60.8-31.8178.6-69179000113G78 F84 P108 F111 H112G78-L80 PolarHBondContact O-N 3.49Å; L80-F84 HydrophobicContact CD2-CE2 3.99Å; L80-F84 WeakPolarHBondContact O-CD2 3.13Å; L80-P108 WeakPolarHBondContact CD2-O 3.04Å; L80-F111 HydrophobicContact CD2-CB 3.75Å; L80-H112 HydrophobicContact CD1-CB 3.99Å
81R95.6Very high95.9Very high199 Ų19980.1 Ų80.175%0.75139%0.387SS*.Hα-helixtrans-82.8-33.9177.5-175.6178.366106.10.2112.3G78 W79G78-R81 PolarHBondContact O-N 3.29Å; G78-R81 VanDerWaalsContact O-N 3.09Å; W79-R81 PolarHBondContact O-N 3.02Å
82L97.1Very high95.8Very high94 Ų9480.4 Ų80.449%0.49239%0.393SS..Hα-helixtrans-94-28.1-170.1-63.5176.4000113.5G78 W79 Y93G78-L82 WeakPolarHBondContact O-CG 3.36Å; G78-L82 PolarHBondContact O-N 2.8Å; G78-L82 VanDerWaalsContact O-N 3.17Å; W79-L82 PolarHBondContact O-N 3.25Å; L82-Y93 HydrophobicContact CB-CD1 4.15Å; L82-Y93 HydrophobicContact CB-CE1 3.59Å; L82-Y93 HydrophobicContact CD1-CE1 4.5Å
83A97.5Very high95.8Very high1 Ų185.4 Ų85.41%0.00841%0.413CS..SBendtrans-971.9-173.900000113.6W79 Y90 R91 Y93 M97W79-A83 HydrophobicContact CE3-CB 4.44Å; W79-A83 WeakPolarHBondContact O-CB 3.47Å; W79-A83 PolarHBondContact O-N 3.25Å; A83-Y90 HydrophobicContact CB-CD2 4.05Å; A83-Y90 HydrophobicContact CB-CE2 3.79Å; A83-Y90 CarbonylContact O-C 3.5Å; A83-Y90 WeakPolarHBondContact O-CA 3.28Å; A83-Y90 WeakPolarHBondContact O-CD2 3.44Å; A83-R91 WeakPolarHBondContact CA-O 3.39Å; A83-R91 PolarHBondContact O-N 2.88Å; A83-Y93 HydrophobicContact CB-CD1 4.17Å; A83-Y93 HydrophobicContact CB-CE1 4.04Å; A83-M97 HydrophobicContact CB-CE 3.6Å
84F96.9Very high95.8Very high30 Ų3087.1 Ų87.113%0.13242%0.422CS..BIsolated β-bridgetrans-122.3135.5177.5-69-89.5000110W79 L80 G88 M89 Y90 L101 P108 F111W79-F84 HydrophobicContact CE3-CE2 4.1Å; W79-F84 HydrophobicContact CH2-CE2 4.42Å; W79-F84 AromaticContact CZ3-CE2 3.64Å; W79-F84 HydrophobicContact CZ3-CE2 3.64Å; W79-F84 HydrophobicContact CZ3-CZ 4.15Å; L80-F84 HydrophobicContact CD2-CE2 3.99Å; L80-F84 WeakPolarHBondContact O-CD2 3.13Å; F84-G88 WeakPolarHBondContact CD1-O 3.45Å; F84-M89 WeakPolarHBondContact CA-O 3.39Å; F84-Y90 HydrophobicContact CD1-CD2 4.46Å; F84-Y90 HydrophobicContact CD2-CD2 4.47Å; F84-Y90 AromaticContact CE1-CD2 3.99Å; F84-Y90 HydrophobicContact CE1-CD2 3.99Å; F84-Y90 HydrophobicContact CE1-CG 4.26Å; F84-Y90 AromaticContact CE2-CD2 3.97Å; F84-Y90 HydrophobicContact CE2-CD2 3.97Å; F84-Y90 AromaticContact CZ-CD2 3.72Å; F84-Y90 HydrophobicContact CZ-CD2 3.72Å; F84-Y90 HydrophobicContact CZ-CG 4.36Å; F84-L101 HydrophobicContact CZ-CD1 3.97Å; F84-P108 HydrophobicContact CB-CG 4.22Å; F84-P108 HydrophobicContact CD1-CB 3.81Å; F84-P108 HydrophobicContact CD1-CG 3.34Å; F84-P108 HydrophobicContact CD2-CB 3.86Å; F84-P108 HydrophobicContact CD2-CG 4.25Å; F84-P108 HydrophobicContact CE1-CB 3.81Å; F84-P108 HydrophobicContact CE1-CG 3.59Å; F84-P108 HydrophobicContact CE2-CB 3.87Å; F84-P108 HydrophobicContact CE2-CG 4.47Å; F84-P108 HydrophobicContact CG-CB 3.81Å; F84-P108 HydrophobicContact CG-CG 3.68Å; F84-P108 HydrophobicContact CZ-CB 3.84Å; F84-P108 HydrophobicContact CZ-CG 4.16Å; F84-F111 AromaticContact CZ-CD2 3.99Å; F84-F111 HydrophobicContact CZ-CD2 3.99Å; F84-F111 AromaticContact CZ-CE2 3.92Å; F84-F111 HydrophobicContact CZ-CE2 3.92Å
85S93.6Very high95.9Very high54 Ų5487 Ų8738%0.37843%0.433SS..  trans-71.3170171.173.30000111.4F87 G88 M89S85-F87 PolarHBondContact O-N 3.05Å; S85-F87 VanDerWaalsContact O-N 3.09Å; S85-F87 PolarHBondContact OG-N 3.42Å; S85-G88 PolarHBondContact O-N 3.25Å; S85-M89 PolarHBondContact N-O 3.04Å; S85-M89 WeakPolarHBondContact OG-CB 3.46Å; S85-M89 PolarHBondContact OG-N 3.18Å
86E90.5Very high95.9Very high196 Ų19685.3 Ų85.392%0.91642%0.422SS*.THydrogen-bonded Turntrans-57-23.1171.6-63.7178.9175.500112.8
87F91.4Very high96Very high182 Ų18284.1 Ų84.180%0.79842%0.417SS*.THydrogen-bonded Turntrans-90.87.3176.1-55.2-71.3000113.6S85 M89S85-F87 PolarHBondContact O-N 3.05Å; S85-F87 VanDerWaalsContact O-N 3.09Å; S85-F87 PolarHBondContact OG-N 3.42Å; F87-M89 VanDerWaalsContact C-N 3.3Å; F87-M89 HydrophobicContact CB-CG 4.48Å; F87-M89 PolarHBondContact O-N 3.43Å
88G90.9Very high96Very high34 Ų3479.3 Ų79.335%0.35139%0.386SS..  trans75.413.118000000114.8F84 S85F84-G88 WeakPolarHBondContact CD1-O 3.45Å; S85-G88 PolarHBondContact O-N 3.25Å
89M93.9Very high96Very high133 Ų13384.5 Ų84.566%0.65541%0.405SS*.  trans-81.4125.5178.2-62.6-63.7-6700110.4F84 S85 F87F84-M89 WeakPolarHBondContact CA-O 3.39Å; S85-M89 PolarHBondContact N-O 3.04Å; S85-M89 WeakPolarHBondContact OG-CB 3.46Å; S85-M89 PolarHBondContact OG-N 3.18Å; F87-M89 VanDerWaalsContact C-N 3.3Å; F87-M89 HydrophobicContact CB-CG 4.48Å; F87-M89 PolarHBondContact O-N 3.43Å
90Y97.5Very high96Very high46 Ų4688.5 Ų88.518%0.1843%0.434CS..BIsolated β-bridgetrans-73133177.9177.8-109.4000111.9W79 A83 F84 P92 M97 P98 L101W79-Y90 HydrophobicContact CZ3-CE2 4.37Å; A83-Y90 HydrophobicContact CB-CD2 4.05Å; A83-Y90 HydrophobicContact CB-CE2 3.79Å; A83-Y90 CarbonylContact O-C 3.5Å; A83-Y90 WeakPolarHBondContact O-CA 3.28Å; A83-Y90 WeakPolarHBondContact O-CD2 3.44Å; F84-Y90 HydrophobicContact CD1-CD2 4.46Å; F84-Y90 HydrophobicContact CD2-CD2 4.47Å; F84-Y90 AromaticContact CE1-CD2 3.99Å; F84-Y90 HydrophobicContact CE1-CD2 3.99Å; F84-Y90 HydrophobicContact CE1-CG 4.26Å; F84-Y90 AromaticContact CE2-CD2 3.97Å; F84-Y90 HydrophobicContact CE2-CD2 3.97Å; F84-Y90 AromaticContact CZ-CD2 3.72Å; F84-Y90 HydrophobicContact CZ-CD2 3.72Å; F84-Y90 HydrophobicContact CZ-CG 4.36Å; Y90-P92 HydrophobicContact CE1-CB 4.28Å; Y90-P92 HydrophobicContact CE1-CG 4.19Å; Y90-M97 HydrophobicContact CE2-CE 4.1Å; Y90-P98 WeakPolarHBondContact CE1-O 3.27Å; Y90-P98 VanDerWaalsContact CZ-O 3.32Å; Y90-P98 PolarHBondContact OH-O 2.57Å; Y90-L101 HydrophobicContact CD1-CB 4.42Å; Y90-L101 HydrophobicContact CD1-CD1 4.31Å; Y90-L101 HydrophobicContact CD1-CG 4.07Å; Y90-L101 HydrophobicContact CD2-CD1 3.55Å; Y90-L101 HydrophobicContact CD2-CG 4.21Å; Y90-L101 HydrophobicContact CE1-CD1 4.21Å; Y90-L101 HydrophobicContact CE1-CG 3.88Å; Y90-L101 HydrophobicContact CE2-CD1 3.43Å; Y90-L101 VanDerWaalsContact CE2-CD1 3.43Å; Y90-L101 HydrophobicContact CE2-CG 4.04Å; Y90-L101 HydrophobicContact CG-CD1 3.98Å; Y90-L101 HydrophobicContact CG-CG 4.21Å
91R96.6Very high96Very high203 Ų20387.5 Ų87.577%0.76643%0.428SS*.  trans-140.2108.1173.3-176.1177.1179.5172.31109.2A83A83-R91 WeakPolarHBondContact CA-O 3.39Å; A83-R91 PolarHBondContact O-N 2.88Å
92P97.4Very high96Very high41 Ų4178.2 Ų78.227%0.26639%0.394SS..  trans-64.3142.1173.427.5-32.2000110Y90 M97Y90-P92 HydrophobicContact CE1-CB 4.28Å; Y90-P92 HydrophobicContact CE1-CG 4.19Å; P92-M97 HydrophobicContact CB-CB 3.7Å; P92-M97 HydrophobicContact CB-SD 4.45Å
93Y97.5Very high95.9Very high106 Ų10678.2 Ų78.242%0.41640%0.4SS..SBendtrans-113.5-3.1176.559.1-99.8000113.1F76 L82 A83 M97F76-Y93 HydrophobicContact CD1-CE2 4.06Å; F76-Y93 HydrophobicContact CE1-CE2 4.37Å; L82-Y93 HydrophobicContact CB-CD1 4.15Å; L82-Y93 HydrophobicContact CB-CE1 3.59Å; L82-Y93 HydrophobicContact CD1-CE1 4.5Å; A83-Y93 HydrophobicContact CB-CD1 4.17Å; A83-Y93 HydrophobicContact CB-CE1 4.04Å; Y93-M97 HydrophobicContact CD1-CE 4.39Å; Y93-M97 HydrophobicContact CD1-SD 3.72Å; Y93-M97 HydrophobicContact CD2-SD 4.13Å; Y93-M97 HydrophobicContact CE1-CE 4.01Å; Y93-M97 HydrophobicContact CE1-SD 3.57Å; Y93-M97 VanDerWaalsContact CE1-SD 3.57Å; Y93-M97 HydrophobicContact CE2-SD 4.01Å; Y93-M97 HydrophobicContact CG-SD 4Å
94D98.5Very high95.7Very high73 Ų7379.4 Ų79.439%0.3940%0.404SS..SBendtrans-137.3145176.9-172.1-70.9000108.8F76 N96 M97F76-D94 HydrophobicContact CE1-CB 3.79Å; F76-D94 HydrophobicContact CZ-CB 3.72Å; D94-N96 PolarHBondContact O-N 3.5Å; D94-N96 VanDerWaalsContact OD1-CB 3.31Å; D94-N96 WeakPolarHBondContact OD1-CB 3.37Å; D94-N96 PolarHBondContact OD1-N 3.14Å; D94-M97 HydrophobicContact CB-CG 4.08Å; D94-M97 HydrophobicContact CB-SD 4.34Å; D94-M97 VanDerWaalsContact O-CB 3.29Å; D94-M97 WeakPolarHBondContact O-CB 3.27Å; D94-M97 PolarHBondContact O-N 2.7Å
95L97.9Very high95.4Very high164 Ų16484.9 Ų84.986%0.85943%0.433SS*.THydrogen-bonded Turntrans-69.3-16.9-178.1-69.1176000113.3M97L95-M97 PolarHBondContact O-N 3.26Å
96N98.2Very high95.4Very high18 Ų1887.4 Ų87.410%0.09644%0.442CS..THydrogen-bonded Turntrans-78.9-3.2171.1-165.927.5000112.4E70 F76 D94 T118 E119 I120E70-N96 PolarHBondContact OE2-ND2 3.17Å; F76-N96 HydrophobicContact CE2-CB 4.17Å; F76-N96 HydrophobicContact CZ-CB 4.04Å; D94-N96 PolarHBondContact O-N 3.5Å; D94-N96 VanDerWaalsContact OD1-CB 3.31Å; D94-N96 WeakPolarHBondContact OD1-CB 3.37Å; D94-N96 PolarHBondContact OD1-N 3.14Å; N96-T118 CarbonylContact O-C 3.55Å; N96-T118 WeakPolarHBondContact O-CA 3.46Å; N96-T118 VanDerWaalsContact O-CB 3.22Å; N96-T118 WeakPolarHBondContact O-CB 3.06Å; N96-T118 WeakPolarHBondContact OD1-CB 3.43Å; N96-E119 PolarHBondContact O-N 2.85Å; N96-E119 PolarHBondContact OD1-N 3.15Å; N96-I120 HydrophobicContact CB-CD1 4.46Å; N96-I120 WeakPolarHBondContact OD1-CB 3.3Å; N96-I120 WeakPolarHBondContact OD1-CD1 3.46Å; N96-I120 WeakPolarHBondContact OD1-CG1 3.1Å; N96-I120 PolarHBondContact OD1-N 2.88Å
97M98.6Very high95.5Very high1 Ų179.2 Ų79.21%0.00541%0.411CS..SBendtrans-89.9141.6173-56.9-175.265.900110.9M72 F76 W79 A83 Y90 P92 Y93 D94 L95 L99 E119M72-M97 HydrophobicContact SD-CB 4.2Å; M72-M97 HydrophobicContact SD-CE 3.91Å; M72-M97 HydrophobicContact SD-CG 3.76Å; F76-M97 HydrophobicContact CD2-CG 4.07Å; F76-M97 HydrophobicContact CE2-CG 3.75Å; F76-M97 HydrophobicContact CZ-CG 4.12Å; W79-M97 HydrophobicContact CB-CE 4.17Å; W79-M97 HydrophobicContact CE3-CE 4.3Å; A83-M97 HydrophobicContact CB-CE 3.6Å; Y90-M97 HydrophobicContact CE2-CE 4.1Å; P92-M97 HydrophobicContact CB-CB 3.7Å; P92-M97 HydrophobicContact CB-SD 4.45Å; Y93-M97 HydrophobicContact CD1-CE 4.39Å; Y93-M97 HydrophobicContact CD1-SD 3.72Å; Y93-M97 HydrophobicContact CD2-SD 4.13Å; Y93-M97 HydrophobicContact CE1-CE 4.01Å; Y93-M97 HydrophobicContact CE1-SD 3.57Å; Y93-M97 VanDerWaalsContact CE1-SD 3.57Å; Y93-M97 HydrophobicContact CE2-SD 4.01Å; Y93-M97 HydrophobicContact CG-SD 4Å; D94-M97 HydrophobicContact CB-CG 4.08Å; D94-M97 HydrophobicContact CB-SD 4.34Å; D94-M97 VanDerWaalsContact O-CB 3.29Å; D94-M97 WeakPolarHBondContact O-CB 3.27Å; D94-M97 PolarHBondContact O-N 2.7Å; L95-M97 PolarHBondContact O-N 3.26Å; M97-L99 PolarHBondContact O-N 3.42Å; M97-E119 WeakPolarHBondContact O-CG 3.46Å
98P97.9Very high95.6Very high9 Ų972.3 Ų72.36%0.05838%0.384CS..  trans-49.5139.1173.8-30.134.9000111.8M72 Y90 S100 L101 C117 E119M72-P98 HydrophobicContact CE-CG 4.19Å; Y90-P98 WeakPolarHBondContact CE1-O 3.27Å; Y90-P98 VanDerWaalsContact CZ-O 3.32Å; Y90-P98 PolarHBondContact OH-O 2.57Å; P98-S100 WeakPolarHBondContact CB-O 3.5Å; P98-S100 PolarHBondContact O-N 3.18Å; P98-L101 HydrophobicContact CB-CD2 3.94Å; P98-L101 HydrophobicContact CG-CD2 4.07Å; P98-C117 WeakPolarHBondContact CG-O 3.43Å; P98-E119 VanDerWaalsContact CA-OE1 3.31Å; P98-E119 WeakPolarHBondContact CA-OE1 3.27Å
99L96.1Very high95.8Very high141 Ų14174.5 Ų74.574%0.73839%0.394SS*.SBendtrans-64-30.7176.4-69.1179.1000112.7M97 E119M97-L99 PolarHBondContact O-N 3.42Å; L99-E119 PolarHBondContact N-OE1 2.86Å
100S96.1Very high95.9Very high89 Ų8968.8 Ų68.862%0.62237%0.366SS*.  trans-143.3160.417662.20000110.4P98P98-S100 WeakPolarHBondContact CB-O 3.5Å; P98-S100 PolarHBondContact O-N 3.18Å
101L96.7Very high95.8Very high23 Ų2366.8 Ų66.812%0.1236%0.358CS..  trans-127.7150.5174.6-68.7179.5000109.8W79 F84 Y90 P98 F111 P116W79-L101 HydrophobicContact CH2-CD1 3.98Å; W79-L101 HydrophobicContact CZ3-CD1 3.54Å; F84-L101 HydrophobicContact CZ-CD1 3.97Å; Y90-L101 HydrophobicContact CD1-CB 4.42Å; Y90-L101 HydrophobicContact CD1-CD1 4.31Å; Y90-L101 HydrophobicContact CD1-CG 4.07Å; Y90-L101 HydrophobicContact CD2-CD1 3.55Å; Y90-L101 HydrophobicContact CD2-CG 4.21Å; Y90-L101 HydrophobicContact CE1-CD1 4.21Å; Y90-L101 HydrophobicContact CE1-CG 3.88Å; Y90-L101 HydrophobicContact CE2-CD1 3.43Å; Y90-L101 VanDerWaalsContact CE2-CD1 3.43Å; Y90-L101 HydrophobicContact CE2-CG 4.04Å; Y90-L101 HydrophobicContact CG-CD1 3.98Å; Y90-L101 HydrophobicContact CG-CG 4.21Å; P98-L101 HydrophobicContact CB-CD2 3.94Å; P98-L101 HydrophobicContact CG-CD2 4.07Å; L101-F111 HydrophobicContact CB-CE1 4.39Å; L101-F111 HydrophobicContact CB-CE2 4.44Å; L101-F111 HydrophobicContact CB-CZ 3.79Å; L101-F111 HydrophobicContact CD1-CE1 4.44Å; L101-F111 HydrophobicContact CD1-CE2 4.21Å; L101-F111 HydrophobicContact CD1-CZ 4.08Å; L101-F111 HydrophobicContact CG-CZ 4.44Å; L101-P116 HydrophobicContact CD2-CB 3.95Å; L101-P116 HydrophobicContact CD2-CG 3.7Å
102P96.1Very high95.7Very high5 Ų563.1 Ų63.13%0.03235%0.35CS..  trans-64143.2176.229.2-36.7000110.4F111 L148 L189 Q197P102-F111 HydrophobicContact CG-CE1 4.14Å; P102-F111 HydrophobicContact CG-CZ 4.31Å; P102-F111 VanDerWaalsContact O-CZ 3.3Å; P102-F111 WeakPolarHBondContact O-CZ 3.4Å; P102-L148 HydrophobicContact CG-CD1 4.18Å; P102-L148 HydrophobicContact CG-CD2 3.78Å; P102-L189 HydrophobicContact CB-CD1 3.8Å; P102-L189 HydrophobicContact CB-CD2 4.45Å; P102-L189 HydrophobicContact CG-CD1 3.88Å; P102-Q197 HydrophobicContact CB-CG 3.82Å
103P93.9Very high95.4Very high94 Ų9463.6 Ų63.661%0.6135%0.35SS*.  trans-60.9147.6171.728-33.5000110.1
104R94.4Very high95.4Very high26 Ų2658.5 Ų58.510%0.09833%0.33CS..  trans-124.8142.9-178.8-68.8-63.6-161.2171.12.9110N106 G107 D110 F111 D114 P187R104-N106 PolarHBondContact O-N 3.27Å; R104-G107 VanDerWaalsContact CB-O 3.26Å; R104-G107 WeakPolarHBondContact CB-O 3.29Å; R104-G107 PolarHBondContact O-N 2.88Å; R104-G107 VanDerWaalsContact O-N 3.09Å; R104-D110 HydrophobicContact CB-CB 3.84Å; R104-D110 HydrophobicContact CG-CB 3.93Å; R104-F111 HydrophobicContact CG-CD1 4.42Å; R104-F111 HydrophobicContact CG-CD2 4.08Å; R104-F111 HydrophobicContact CG-CE1 3.95Å; R104-F111 HydrophobicContact CG-CE2 3.55Å; R104-F111 HydrophobicContact CG-CG 4.48Å; R104-F111 HydrophobicContact CG-CZ 3.47Å; R104-F111 VanDerWaalsContact CG-CZ 3.47Å; R104-F111 VanDerWaalsContact NE-CE1 3.25Å; R104-D114 IonicContact CZ-OD2 3.38Å; R104-D114 IonicContact NH1-OD2 3.11Å; R104-D114 PolarHBondContact NH1-OD2 2.95Å; R104-D114 VanDerWaalsContact NH1-OD2 3.11Å; R104-D114 VanDerWaalsContact NH2-CG 3.29Å; R104-D114 PolarHBondContact NH2-O 2.94Å; R104-D114 IonicContact NH2-OD2 2.72Å; R104-D114 PolarHBondContact NH2-OD2 2.83Å; R104-P187 PolarHBondContact NH1-O 2.75Å
105I90.5Very high95.3Very high144 Ų14455.1 Ų55.174%0.73831%0.312SS*.THydrogen-bonded Turntrans-62.6-39.5-173.3-169.5171.5000112.6D110I105-D110 WeakPolarHBondContact CG2-OD2 3.21Å; I105-D110 PolarHBondContact N-OD2 2.84Å
106N92.5Very high95.4Very high107 Ų10747.3 Ų47.357%0.57227%0.271SS*.THydrogen-bonded Turntrans-101.315.4176-46.2-62.9000112.5R104 S109 D110R104-N106 PolarHBondContact O-N 3.27Å; N106-S109 PolarHBondContact O-OG 2.76Å; N106-D110 WeakPolarHBondContact CB-OD1 3.33Å; N106-D110 PolarHBondContact N-OD2 3.06Å; N106-D110 PolarHBondContact ND2-OD1 3.25Å; N106-D110 PolarHBondContact ND2-OD2 2.62Å
107G93.3Very high95.4Very high25 Ų2546.5 Ų46.526%0.25827%0.267SS..G310 helixtrans75.8-154.6-178.900000113.8R104 S109 D110R104-G107 VanDerWaalsContact CB-O 3.26Å; R104-G107 WeakPolarHBondContact CB-O 3.29Å; R104-G107 PolarHBondContact O-N 2.88Å; R104-G107 VanDerWaalsContact O-N 3.09Å; G107-S109 PolarHBondContact O-N 3.41Å; G107-S109 VanDerWaalsContact O-N 3.13Å; G107-D110 PolarHBondContact O-N 2.71Å
108P94.2Very high95.4Very high37 Ų3746.5 Ų46.524%0.2427%0.267CS..G310 helixtrans-62-24.3-168.1-26.836.3000115.5L80 F84 D110 F111L80-P108 WeakPolarHBondContact CD2-O 3.04Å; F84-P108 HydrophobicContact CB-CG 4.22Å; F84-P108 HydrophobicContact CD1-CB 3.81Å; F84-P108 HydrophobicContact CD1-CG 3.34Å; F84-P108 HydrophobicContact CD2-CB 3.86Å; F84-P108 HydrophobicContact CD2-CG 4.25Å; F84-P108 HydrophobicContact CE1-CB 3.81Å; F84-P108 HydrophobicContact CE1-CG 3.59Å; F84-P108 HydrophobicContact CE2-CB 3.87Å; F84-P108 HydrophobicContact CE2-CG 4.47Å; F84-P108 HydrophobicContact CG-CB 3.81Å; F84-P108 HydrophobicContact CG-CG 3.68Å; F84-P108 HydrophobicContact CZ-CB 3.84Å; F84-P108 HydrophobicContact CZ-CG 4.16Å; P108-D110 PolarHBondContact O-N 2.82Å; P108-F111 WeakPolarHBondContact O-CB 3.04Å; P108-F111 WeakPolarHBondContact O-CD2 3.43Å; P108-F111 PolarHBondContact O-N 3.19Å
109S93.7Very high95.4Very high79 Ų7948.9 Ų48.955%0.55228%0.277SS*.G310 helixtrans-61-31.4-179.750.80000113N106 G107 F111 H112N106-S109 PolarHBondContact O-OG 2.76Å; G107-S109 PolarHBondContact O-N 3.41Å; G107-S109 VanDerWaalsContact O-N 3.13Å; S109-F111 PolarHBondContact O-N 3.46Å; S109-F111 VanDerWaalsContact O-N 3.13Å; S109-H112 VanDerWaalsContact O-CB 3.26Å; S109-H112 WeakPolarHBondContact O-CB 3.31Å; S109-H112 PolarHBondContact O-N 2.86Å
110D95.4Very high95.5Very high13 Ų1346 Ų467%0.0726%0.262CS..G310 helixtrans-60.1-24.2178.8-76.8-13000112.7R104 I105 N106 G107 P108 H112 D114 P187R104-D110 HydrophobicContact CB-CB 3.84Å; R104-D110 HydrophobicContact CG-CB 3.93Å; I105-D110 WeakPolarHBondContact CG2-OD2 3.21Å; I105-D110 PolarHBondContact N-OD2 2.84Å; N106-D110 WeakPolarHBondContact CB-OD1 3.33Å; N106-D110 PolarHBondContact N-OD2 3.06Å; N106-D110 PolarHBondContact ND2-OD1 3.25Å; N106-D110 PolarHBondContact ND2-OD2 2.62Å; G107-D110 PolarHBondContact O-N 2.71Å; P108-D110 PolarHBondContact O-N 2.82Å; D110-H112 VanDerWaalsContact C-N 3.3Å; D110-H112 PolarHBondContact O-N 3.25Å; D110-D114 PolarHBondContact O-N 3.12Å; D110-P187 HydrophobicContact CB-CG 3.57Å; D110-P187 VanDerWaalsContact CG-CG 3.46Å; D110-P187 WeakPolarHBondContact OD1-CG 3.48Å
111F96.8Very high95.6Very high4 Ų441.8 Ų41.82%0.01823%0.232CC..G310 helixtrans-76.3-12.4177.3-68.5-67.7000114.5W79 L80 F84 L101 P102 R104 P108 S109 D113 D114 T115 L148W79-F111 HydrophobicContact CH2-CB 3.6Å; W79-F111 HydrophobicContact CH2-CD1 4.25Å; W79-F111 HydrophobicContact CH2-CD2 4.17Å; W79-F111 AromaticContact CH2-CG 3.78Å; W79-F111 HydrophobicContact CH2-CG 3.78Å; W79-F111 HydrophobicContact CZ2-CB 3.74Å; W79-F111 HydrophobicContact CZ2-CG 4.4Å; L80-F111 HydrophobicContact CD2-CB 3.75Å; F84-F111 AromaticContact CZ-CD2 3.99Å; F84-F111 HydrophobicContact CZ-CD2 3.99Å; F84-F111 AromaticContact CZ-CE2 3.92Å; F84-F111 HydrophobicContact CZ-CE2 3.92Å; L101-F111 HydrophobicContact CB-CE1 4.39Å; L101-F111 HydrophobicContact CB-CE2 4.44Å; L101-F111 HydrophobicContact CB-CZ 3.79Å; L101-F111 HydrophobicContact CD1-CE1 4.44Å; L101-F111 HydrophobicContact CD1-CE2 4.21Å; L101-F111 HydrophobicContact CD1-CZ 4.08Å; L101-F111 HydrophobicContact CG-CZ 4.44Å; P102-F111 HydrophobicContact CG-CE1 4.14Å; P102-F111 HydrophobicContact CG-CZ 4.31Å; P102-F111 VanDerWaalsContact O-CZ 3.3Å; P102-F111 WeakPolarHBondContact O-CZ 3.4Å; R104-F111 HydrophobicContact CG-CD1 4.42Å; R104-F111 HydrophobicContact CG-CD2 4.08Å; R104-F111 HydrophobicContact CG-CE1 3.95Å; R104-F111 HydrophobicContact CG-CE2 3.55Å; R104-F111 HydrophobicContact CG-CG 4.48Å; R104-F111 HydrophobicContact CG-CZ 3.47Å; R104-F111 VanDerWaalsContact CG-CZ 3.47Å; R104-F111 VanDerWaalsContact NE-CE1 3.25Å; P108-F111 WeakPolarHBondContact O-CB 3.04Å; P108-F111 WeakPolarHBondContact O-CD2 3.43Å; P108-F111 PolarHBondContact O-N 3.19Å; S109-F111 PolarHBondContact O-N 3.46Å; S109-F111 VanDerWaalsContact O-N 3.13Å; F111-D113 VanDerWaalsContact C-N 3.33Å; F111-D113 PolarHBondContact O-N 3.26Å; F111-D114 CarbonylContact O-C 3.43Å; F111-T115 VanDerWaalsContact O-CA 3.28Å; F111-T115 WeakPolarHBondContact O-CA 3.43Å; F111-T115 PolarHBondContact O-N 2.78Å; F111-T115 VanDerWaalsContact O-N 3.14Å; F111-T115 PolarHBondContact O-OG1 3.33Å; F111-L148 HydrophobicContact CD1-CD2 4.27Å; F111-L148 HydrophobicContact CE1-CD2 3.84Å
112H94Very high95.7Very high127 Ų12742.9 Ų42.959%0.58824%0.235SC*.THydrogen-bonded Turntrans-58.6-46.9177.5-178.9-82.7000111L80 S109 D110 T115L80-H112 HydrophobicContact CD1-CB 3.99Å; S109-H112 VanDerWaalsContact O-CB 3.26Å; S109-H112 WeakPolarHBondContact O-CB 3.31Å; S109-H112 PolarHBondContact O-N 2.86Å; D110-H112 VanDerWaalsContact C-N 3.3Å; D110-H112 PolarHBondContact O-N 3.25Å; H112-T115 PolarHBondContact O-OG1 2.9Å
113D91.3Very high95.8Very high50 Ų5045.7 Ų45.727%0.26725%0.252SS..THydrogen-bonded Turntrans-95.1-17.7-178.5-63.7-26.8000112.8F111 Y181 P186F111-D113 VanDerWaalsContact C-N 3.33Å; F111-D113 PolarHBondContact O-N 3.26Å; D113-Y181 HydrophobicContact CB-CD1 4.47Å; D113-Y181 HydrophobicContact CB-CE1 4.22Å; D113-P186 HydrophobicContact CB-CB 3.86Å; D113-P186 HydrophobicContact CB-CG 3.98Å; D113-P186 WeakPolarHBondContact O-CG 3.24Å
114D96.8Very high95.9Very high0 Ų041.4 Ų41.40%022%0.224CC..SBendtrans-125.161.7177.7-166.427.3000112.7R104 D110 F111 A147 L148 P186R104-D114 IonicContact CZ-OD2 3.38Å; R104-D114 IonicContact NH1-OD2 3.11Å; R104-D114 PolarHBondContact NH1-OD2 2.95Å; R104-D114 VanDerWaalsContact NH1-OD2 3.11Å; R104-D114 VanDerWaalsContact NH2-CG 3.29Å; R104-D114 PolarHBondContact NH2-O 2.94Å; R104-D114 IonicContact NH2-OD2 2.72Å; R104-D114 PolarHBondContact NH2-OD2 2.83Å; D110-D114 PolarHBondContact O-N 3.12Å; F111-D114 CarbonylContact O-C 3.43Å; D114-A147 VanDerWaalsContact OD1-CA 3.27Å; D114-A147 WeakPolarHBondContact OD1-CA 3.48Å; D114-L148 PolarHBondContact OD1-N 3.45Å; D114-P186 HydrophobicContact CB-CB 3.83Å
115T97.6Very high96.1Very high1 Ų140.2 Ų40.21%0.00622%0.22CC..PPolyproline II helixtrans-68.1138.7-176.1-51.40000112.9M72 D73 W79 F111 H112 R149M72-T115 HydrophobicContact CB-CG2 3.65Å; D73-T115 HydrophobicContact CB-CG2 3.8Å; W79-T115 HydrophobicContact CZ2-CG2 4.08Å; F111-T115 VanDerWaalsContact O-CA 3.28Å; F111-T115 WeakPolarHBondContact O-CA 3.43Å; F111-T115 PolarHBondContact O-N 2.78Å; F111-T115 VanDerWaalsContact O-N 3.14Å; F111-T115 PolarHBondContact O-OG1 3.33Å; H112-T115 PolarHBondContact O-OG1 2.9Å; T115-R149 WeakPolarHBondContact O-CB 3.36Å
116P98.5Very high96.5Very high0 Ų036.4 Ų36.40%020%0.199CC..PPolyproline II helixtrans-73.6168.917431.6-36.4000113.4M72 W79 L101 L148M72-P116 HydrophobicContact CB-CG 4.08Å; M72-P116 PolarHBondContact N-O 2.79Å; W79-P116 HydrophobicContact CH2-CG 4Å; W79-P116 HydrophobicContact CZ2-CG 4.34Å; L101-P116 HydrophobicContact CD2-CB 3.95Å; L101-P116 HydrophobicContact CD2-CG 3.7Å; P116-L148 HydrophobicContact CB-CD2 3.85Å; P116-L148 HydrophobicContact CB-CG 4.33Å
117C98.6Very high96.7Very high1 Ų134.6 Ų34.61%0.00719%0.188CC..BIsolated β-bridgetrans-69.8158.7163.5-68.80000111.7E70 M72 P98 R149E70-C117 CarbonylContact O-C 3.59Å; E70-C117 WeakPolarHBondContact O-CA 3.25Å; M72-C117 WeakPolarHBondContact CE-O 3.37Å; P98-C117 WeakPolarHBondContact CG-O 3.43Å; C117-R149 PolarHBondContact SG-O 3.45Å
118T98.7Very high96.9Very high1 Ų133.7 Ų33.71%0.00618%0.177CC..PPolyproline II helixtrans-74.3167.715861.10000111.6E70 M72 V75 F76 N96 I120 G121 Y122E70-T118 WeakPolarHBondContact CB-OG1 3.49Å; E70-T118 HydrophobicContact CG-CG2 3.95Å; E70-T118 WeakPolarHBondContact CG-OG1 3.38Å; E70-T118 PolarHBondContact O-N 3.02Å; E70-T118 WeakPolarHBondContact OE2-CB 3.37Å; E70-T118 WeakPolarHBondContact OE2-CG2 3.48Å; E70-T118 PolarHBondContact OE2-OG1 3.08Å; M72-T118 HydrophobicContact CE-CG2 3.32Å; M72-T118 HydrophobicContact SD-CG2 4.35Å; V75-T118 HydrophobicContact CB-CG2 4.22Å; V75-T118 HydrophobicContact CG2-CG2 3.88Å; F76-T118 HydrophobicContact CE2-CG2 4.4Å; N96-T118 CarbonylContact O-C 3.55Å; N96-T118 WeakPolarHBondContact O-CA 3.46Å; N96-T118 VanDerWaalsContact O-CB 3.22Å; N96-T118 WeakPolarHBondContact O-CB 3.06Å; N96-T118 WeakPolarHBondContact OD1-CB 3.43Å; T118-I120 VanDerWaalsContact C-N 3.34Å; T118-G121 PolarHBondContact O-N 3.28Å; T118-G121 PolarHBondContact OG1-N 3.25Å; T118-Y122 PolarHBondContact O-N 2.82Å
119E98.4Very high97.1Very high60 Ų6032 Ų3228%0.2817%0.166SC..Hα-helixtrans-61.5-42.4171.8-73.8-68165.100110.7N96 M97 P98 L99 G121 Y122 V123N96-E119 PolarHBondContact O-N 2.85Å; N96-E119 PolarHBondContact OD1-N 3.15Å; M97-E119 WeakPolarHBondContact O-CG 3.46Å; P98-E119 VanDerWaalsContact CA-OE1 3.31Å; P98-E119 WeakPolarHBondContact CA-OE1 3.27Å; L99-E119 PolarHBondContact N-OE1 2.86Å; E119-G121 VanDerWaalsContact C-N 3.3Å; E119-G121 PolarHBondContact O-N 3.05Å; E119-Y122 PolarHBondContact O-N 3.32Å; E119-V123 WeakPolarHBondContact O-CB 3.34Å; E119-V123 VanDerWaalsContact O-CG2 3.31Å; E119-V123 WeakPolarHBondContact O-CG2 3.19Å; E119-V123 PolarHBondContact O-N 3.42Å
120I97.7Very high97.2Very high80 Ų8036 Ų3641%0.4117%0.169SC..Hα-helixtrans-61.4-39.8172.8-70.6171000111N96 T118 Y122 V123 T124N96-I120 HydrophobicContact CB-CD1 4.46Å; N96-I120 WeakPolarHBondContact OD1-CB 3.3Å; N96-I120 WeakPolarHBondContact OD1-CD1 3.46Å; N96-I120 WeakPolarHBondContact OD1-CG1 3.1Å; N96-I120 PolarHBondContact OD1-N 2.88Å; T118-I120 VanDerWaalsContact C-N 3.34Å; I120-Y122 VanDerWaalsContact C-N 3.35Å; I120-Y122 PolarHBondContact O-N 2.77Å; I120-V123 PolarHBondContact O-N 3.34Å; I120-T124 WeakPolarHBondContact O-CB 3.2Å; I120-T124 PolarHBondContact O-N 2.94Å; I120-T124 PolarHBondContact O-OG1 3.33Å
121G98.3Very high97.1Very high0 Ų035.6 Ų35.60%017%0.168CC..Hα-helixtrans-60.3-43174.400000112.5T118 E119 T124 A125T118-G121 PolarHBondContact O-N 3.28Å; T118-G121 PolarHBondContact OG1-N 3.25Å; E119-G121 VanDerWaalsContact C-N 3.3Å; E119-G121 PolarHBondContact O-N 3.05Å; G121-T124 WeakPolarHBondContact O-CB 3.25Å; G121-T124 PolarHBondContact O-N 3.49Å; G121-A125 PolarHBondContact O-N 3.11Å
122Y98.6Very high97.1Very high47 Ų4735.4 Ų35.418%0.18417%0.167CC..Hα-helixtrans-68.7-43.8176.2-177.3-111.6000112.5T118 E119 I120 T124 A125 Q126 Q152 H155 G156T118-Y122 PolarHBondContact O-N 2.82Å; E119-Y122 PolarHBondContact O-N 3.32Å; I120-Y122 VanDerWaalsContact C-N 3.35Å; I120-Y122 PolarHBondContact O-N 2.77Å; Y122-T124 VanDerWaalsContact C-N 3.28Å; Y122-T124 PolarHBondContact O-N 2.93Å; Y122-A125 WeakPolarHBondContact O-CB 3.48Å; Y122-A125 PolarHBondContact O-N 2.91Å; Y122-A125 VanDerWaalsContact O-N 3.07Å; Y122-Q126 HydrophobicContact CE1-CG 4.35Å; Y122-Q126 PolarHBondContact O-N 3.25Å; Y122-Q152 HydrophobicContact CD2-CB 4.46Å; Y122-Q152 WeakPolarHBondContact CD2-O 3.16Å; Y122-Q152 VanDerWaalsContact CE2-O 3.23Å; Y122-Q152 WeakPolarHBondContact CE2-O 3.41Å; Y122-H155 PolarHBondContact OH-CD2 3.48Å; Y122-G156 VanDerWaalsContact CE2-CA 3.47Å
123V98Very high97Very high63 Ų6336.5 Ų36.538%0.38217%0.166SC..Hα-helixtrans-61-38.2174.4170.90000111.2E119 I120 A125 Q126 M127E119-V123 WeakPolarHBondContact O-CB 3.34Å; E119-V123 VanDerWaalsContact O-CG2 3.31Å; E119-V123 WeakPolarHBondContact O-CG2 3.19Å; E119-V123 PolarHBondContact O-N 3.42Å; I120-V123 PolarHBondContact O-N 3.34Å; V123-A125 VanDerWaalsContact C-N 3.31Å; V123-A125 PolarHBondContact O-N 3.3Å; V123-Q126 WeakPolarHBondContact O-CB 3.46Å; V123-Q126 PolarHBondContact O-N 2.75Å; V123-Q126 VanDerWaalsContact O-N 3.17Å; V123-M127 HydrophobicContact CG1-CE 4.26Å; V123-M127 WeakPolarHBondContact O-CG 3.47Å; V123-M127 PolarHBondContact O-N 3.41Å
124T97.3Very high97Very high5 Ų538.2 Ų38.23%0.03118%0.175CC..Hα-helixtrans-58.7-43.8173.2-61.30000111I120 G121 Y122 Q126 M127 I128 I311I120-T124 WeakPolarHBondContact O-CB 3.2Å; I120-T124 PolarHBondContact O-N 2.94Å; I120-T124 PolarHBondContact O-OG1 3.33Å; G121-T124 WeakPolarHBondContact O-CB 3.25Å; G121-T124 PolarHBondContact O-N 3.49Å; Y122-T124 VanDerWaalsContact C-N 3.28Å; Y122-T124 PolarHBondContact O-N 2.93Å; T124-Q126 PolarHBondContact O-N 3.26Å; T124-M127 PolarHBondContact O-N 2.99Å; T124-I128 HydrophobicContact CG2-CD1 4.4Å; T124-I128 WeakPolarHBondContact O-CG1 3.26Å; T124-I128 PolarHBondContact O-N 3.09Å; T124-I311 HydrophobicContact CG2-CD1 3.83Å; T124-I311 WeakPolarHBondContact O-CD1 3.29Å
125A98.5Very high96.6Very high1 Ų139.5 Ų39.51%0.00818%0.182CC..Hα-helixtrans-63-39.9175.600000112.5G121 Y122 V123 M127 I128 G129 S153 M157G121-A125 PolarHBondContact O-N 3.11Å; Y122-A125 WeakPolarHBondContact O-CB 3.48Å; Y122-A125 PolarHBondContact O-N 2.91Å; Y122-A125 VanDerWaalsContact O-N 3.07Å; V123-A125 VanDerWaalsContact C-N 3.31Å; V123-A125 PolarHBondContact O-N 3.3Å; A125-M127 VanDerWaalsContact C-N 3.35Å; A125-M127 PolarHBondContact O-N 3.43Å; A125-I128 PolarHBondContact O-N 2.97Å; A125-G129 PolarHBondContact O-N 3.21Å; A125-G129 VanDerWaalsContact O-N 3.11Å; A125-S153 WeakPolarHBondContact CB-O 3.27Å; A125-M157 HydrophobicContact CB-CE 4.29Å; A125-M157 HydrophobicContact CB-CG 4.17Å; A125-M157 WeakPolarHBondContact O-CA 3.41Å; A125-M157 WeakPolarHBondContact O-CG 3.5Å
126Q98.2Very high96.2Very high64 Ų6449.4 Ų49.430%0.29922%0.22SC..Hα-helixtrans-62.9-39.8173.5-65.1179.2-37.400112.4Y122 V123 T124 I128 G129 R130 G156Y122-Q126 HydrophobicContact CE1-CG 4.35Å; Y122-Q126 PolarHBondContact O-N 3.25Å; V123-Q126 WeakPolarHBondContact O-CB 3.46Å; V123-Q126 PolarHBondContact O-N 2.75Å; V123-Q126 VanDerWaalsContact O-N 3.17Å; T124-Q126 PolarHBondContact O-N 3.26Å; Q126-I128 VanDerWaalsContact C-N 3.33Å; Q126-I128 PolarHBondContact O-N 3.27Å; Q126-G129 PolarHBondContact O-N 3.39Å; Q126-R130 WeakPolarHBondContact O-CG 3.11Å; Q126-R130 PolarHBondContact O-N 3.23Å; Q126-G156 WeakPolarHBondContact CA-O 3.39Å
127M97.3Very high96Very high68 Ų6849.8 Ų49.834%0.33522%0.222SC..Hα-helixtrans-63.5-37.6175.7-72.9-169.2-70.800112.1V123 T124 A125 R130 G131 I311V123-M127 HydrophobicContact CG1-CE 4.26Å; V123-M127 WeakPolarHBondContact O-CG 3.47Å; V123-M127 PolarHBondContact O-N 3.41Å; T124-M127 PolarHBondContact O-N 2.99Å; A125-M127 VanDerWaalsContact C-N 3.35Å; A125-M127 PolarHBondContact O-N 3.43Å; M127-R130 PolarHBondContact O-N 3.5Å; M127-G131 PolarHBondContact O-N 3.06Å; M127-I311 HydrophobicContact CB-CD1 3.53Å; M127-I311 HydrophobicContact CB-CG1 4.1Å; M127-I311 HydrophobicContact CE-CD1 4.19Å; M127-I311 HydrophobicContact CE-CG2 3.75Å; M127-I311 HydrophobicContact SD-CG2 4.43Å
128I97.4Very high95.8Very high7 Ų753 Ų534%0.03624%0.244CC..Hα-helixtrans-62.3-47.3174.2-66.2163.2000110.7T124 A125 Q126 R130 G131 A132 M157 G287 V289 L308 I311T124-I128 HydrophobicContact CG2-CD1 4.4Å; T124-I128 WeakPolarHBondContact O-CG1 3.26Å; T124-I128 PolarHBondContact O-N 3.09Å; A125-I128 PolarHBondContact O-N 2.97Å; Q126-I128 VanDerWaalsContact C-N 3.33Å; Q126-I128 PolarHBondContact O-N 3.27Å; I128-R130 VanDerWaalsContact C-N 3.33Å; I128-R130 PolarHBondContact O-N 3.11Å; I128-G131 WeakPolarHBondContact O-CA 3.33Å; I128-G131 PolarHBondContact O-N 3.23Å; I128-G131 VanDerWaalsContact O-N 3.11Å; I128-A132 PolarHBondContact O-N 3.06Å; I128-M157 HydrophobicContact CB-CE 4.28Å; I128-M157 HydrophobicContact CB-CG 4.26Å; I128-M157 HydrophobicContact CD1-CE 3.71Å; I128-M157 HydrophobicContact CG2-CE 4.08Å; I128-M157 HydrophobicContact CG2-CG 4.23Å; I128-M157 HydrophobicContact CG2-SD 4.26Å; I128-G287 WeakPolarHBondContact CD1-O 3.42Å; I128-V289 HydrophobicContact CD1-CG2 4.4Å; I128-V289 HydrophobicContact CG2-CG2 3.85Å; I128-L308 HydrophobicContact CG2-CD1 4.06Å; I128-I311 HydrophobicContact CD1-CD1 4.49Å; I128-I311 HydrophobicContact CG1-CD1 3.69Å
129G97.7Very high95.8Very high0 Ų053.3 Ų53.30%025%0.246CC..Hα-helixtrans-58.4-43.7175.500000112.5A125 Q126 G131 A132 R133 M157 A160A125-G129 PolarHBondContact O-N 3.21Å; A125-G129 VanDerWaalsContact O-N 3.11Å; Q126-G129 PolarHBondContact O-N 3.39Å; G129-G131 VanDerWaalsContact C-N 3.33Å; G129-G131 PolarHBondContact O-N 3.42Å; G129-A132 PolarHBondContact O-N 3.19Å; G129-R133 PolarHBondContact O-N 3.47Å; G129-M157 WeakPolarHBondContact CA-O 3.31Å; G129-A160 VanDerWaalsContact O-CB 3.3Å; G129-A160 WeakPolarHBondContact O-CB 3.27Å
130R95.9Very high95.7Very high165 Ų16552.5 Ų52.562%0.62325%0.246SC*.Hα-helixtrans-62.1-41.1174-71.317164.2-1750.1111.6Q126 M127 I128 R133 L134Q126-R130 WeakPolarHBondContact O-CG 3.11Å; Q126-R130 PolarHBondContact O-N 3.23Å; M127-R130 PolarHBondContact O-N 3.5Å; I128-R130 VanDerWaalsContact C-N 3.33Å; I128-R130 PolarHBondContact O-N 3.11Å; R130-R133 PolarHBondContact O-N 3Å; R130-L134 WeakPolarHBondContact O-CB 3.48Å; R130-L134 VanDerWaalsContact O-CG 3.27Å; R130-L134 WeakPolarHBondContact O-CG 3.27Å; R130-L134 PolarHBondContact O-N 2.83Å
131G94Very high95.8Very high4 Ų450.7 Ų50.74%0.04124%0.236CC..Hα-helixtrans-57.8-47.2174.700000112.3M127 I128 G129 R133 L134 T135M127-G131 PolarHBondContact O-N 3.06Å; I128-G131 WeakPolarHBondContact O-CA 3.33Å; I128-G131 PolarHBondContact O-N 3.23Å; I128-G131 VanDerWaalsContact O-N 3.11Å; G129-G131 VanDerWaalsContact C-N 3.33Å; G129-G131 PolarHBondContact O-N 3.42Å; G131-R133 PolarHBondContact O-N 3.03Å; G131-L134 WeakPolarHBondContact O-CB 3.43Å; G131-L134 PolarHBondContact O-N 3.07Å; G131-T135 PolarHBondContact O-N 3.45Å; G131-T135 PolarHBondContact O-OG1 2.91Å
132A95.6Very high95.8Very high0 Ų050.7 Ų50.70%024%0.236CC..Hα-helixtrans-60-44.4173.900000112.7I128 G129 L134 T135 R136 V137 F139 W161 L308I128-A132 PolarHBondContact O-N 3.06Å; G129-A132 PolarHBondContact O-N 3.19Å; A132-L134 VanDerWaalsContact C-N 3.33Å; A132-L134 PolarHBondContact O-N 3.08Å; A132-T135 WeakPolarHBondContact CA-OG1 3.35Å; A132-T135 CarbonylContact O-C 3.58Å; A132-T135 PolarHBondContact O-N 3.03Å; A132-T135 PolarHBondContact O-OG1 3.36Å; A132-R136 PolarHBondContact O-N 2.95Å; A132-R136 VanDerWaalsContact O-N 3.15Å; A132-V137 CarbonylContact C-O 3.53Å; A132-V137 HydrophobicContact CB-CB 4.16Å; A132-V137 HydrophobicContact CB-CG1 4.37Å; A132-V137 PolarHBondContact O-N 3.11Å; A132-F139 HydrophobicContact CB-CE2 4.06Å; A132-F139 HydrophobicContact CB-CZ 3.78Å; A132-W161 HydrophobicContact CB-CH2 3.77Å; A132-W161 HydrophobicContact CB-CZ2 4.12Å; A132-L308 VanDerWaalsContact CA-CD2 3.44Å; A132-L308 HydrophobicContact CB-CD2 3.62Å
133R93.6Very high95.8Very high149 Ų14948.6 Ų48.656%0.56223%0.228SC*.Hα-helixtrans-62.8-39.8175.7-176.7171.1173.1-166.9-3.5112.3G129 R130 G131 T135 R136 A160 W161G129-R133 PolarHBondContact O-N 3.47Å; R130-R133 PolarHBondContact O-N 3Å; G131-R133 PolarHBondContact O-N 3.03Å; R133-T135 VanDerWaalsContact C-N 3.26Å; R133-T135 PolarHBondContact O-N 3.24Å; R133-R136 PolarHBondContact O-N 2.75Å; R133-R136 VanDerWaalsContact O-N 3.14Å; R133-A160 HydrophobicContact CB-CB 4.46Å; R133-A160 WeakPolarHBondContact CD-O 3.43Å; R133-A160 PolarHBondContact NH1-O 3.34Å; R133-W161 HydrophobicContact CB-CZ2 3.91Å
134L90.7Very high95.9Very high87 Ų8745.6 Ų45.646%0.45521%0.21SC..Hα-helixtrans-62.7-33.9176-73.1169.2000111.9R130 G131 A132 R136R130-L134 WeakPolarHBondContact O-CB 3.48Å; R130-L134 VanDerWaalsContact O-CG 3.27Å; R130-L134 WeakPolarHBondContact O-CG 3.27Å; R130-L134 PolarHBondContact O-N 2.83Å; G131-L134 WeakPolarHBondContact O-CB 3.43Å; G131-L134 PolarHBondContact O-N 3.07Å; A132-L134 VanDerWaalsContact C-N 3.33Å; A132-L134 PolarHBondContact O-N 3.08Å; L134-R136 VanDerWaalsContact C-N 3.29Å
135T87.5Confident95.9Very high26 Ų2645.3 Ų45.316%0.1621%0.208CC..THydrogen-bonded Turntrans-889.2175.857.50000114.5T7 G131 A132 R133 V137 A307T7-T135 HydrophobicContact CG2-CG2 3.11Å; G131-T135 PolarHBondContact O-N 3.45Å; G131-T135 PolarHBondContact O-OG1 2.91Å; A132-T135 WeakPolarHBondContact CA-OG1 3.35Å; A132-T135 CarbonylContact O-C 3.58Å; A132-T135 PolarHBondContact O-N 3.03Å; A132-T135 PolarHBondContact O-OG1 3.36Å; R133-T135 VanDerWaalsContact C-N 3.26Å; R133-T135 PolarHBondContact O-N 3.24Å; T135-V137 PolarHBondContact O-N 3.42Å; T135-A307 WeakPolarHBondContact CB-O 3.3Å; T135-A307 WeakPolarHBondContact CG2-O 3.29Å; T135-A307 PolarHBondContact OG1-O 3.46Å; T135-A307 VanDerWaalsContact OG1-O 3.1Å
136R90.8Very high95.9Very high210 Ų21045.4 Ų45.479%0.79221%0.208SC*.THydrogen-bonded Turntrans59.726.2-178.8-49.2179.1178.7-173.9-1113.4A132 R133 L134A132-R136 PolarHBondContact O-N 2.95Å; A132-R136 VanDerWaalsContact O-N 3.15Å; R133-R136 PolarHBondContact O-N 2.75Å; R133-R136 VanDerWaalsContact O-N 3.14Å; L134-R136 VanDerWaalsContact C-N 3.29Å
137V93.4Very high95.9Very high7 Ų742.3 Ų42.34%0.04219%0.194CC..  trans-88.2119.5167.8174.40000107.7F64 A132 T135 F139 W161 N247 L308F64-V137 HydrophobicContact CE1-CG1 3.97Å; F64-V137 HydrophobicContact CE1-CG2 4.31Å; F64-V137 HydrophobicContact CE2-CG1 3.74Å; F64-V137 HydrophobicContact CZ-CB 4.3Å; F64-V137 HydrophobicContact CZ-CG1 3.43Å; F64-V137 VanDerWaalsContact CZ-CG1 3.43Å; F64-V137 HydrophobicContact CZ-CG2 3.88Å; A132-V137 CarbonylContact C-O 3.53Å; A132-V137 HydrophobicContact CB-CB 4.16Å; A132-V137 HydrophobicContact CB-CG1 4.37Å; A132-V137 PolarHBondContact O-N 3.11Å; T135-V137 PolarHBondContact O-N 3.42Å; V137-F139 HydrophobicContact CG1-CD1 4.17Å; V137-F139 HydrophobicContact CG1-CE1 3.77Å; V137-F139 HydrophobicContact CG1-CZ 4.4Å; V137-W161 WeakPolarHBondContact O-CZ2 3.28Å; V137-N247 HydrophobicContact CG1-CB 4.19Å; V137-L308 HydrophobicContact CG2-CD2 4.45Å
138S94.8Very high96Very high69 Ų6939.1 Ų39.148%0.48318%0.178SC..  trans-114.6128.216957.80000109.8S140 N247S138-S140 PolarHBondContact O-N 3.27Å; S138-N247 WeakPolarHBondContact O-CB 3.44Å; S138-N247 PolarHBondContact O-ND2 3.13Å
139F97.6Very high96.1Very high8 Ų838.8 Ų38.84%0.03518%0.177CC..  trans-77.2114.4-178.8-55-55.9000111.2F64 A132 V137 V142 W161 T166 N247 L249F64-F139 HydrophobicContact CB-CE1 4.09Å; F64-F139 HydrophobicContact CD1-CE1 4.22Å; F64-F139 HydrophobicContact CD2-CD1 4.32Å; F64-F139 AromaticContact CD2-CE1 3.86Å; F64-F139 HydrophobicContact CD2-CE1 3.86Å; F64-F139 HydrophobicContact CE2-CE1 4.37Å; F64-F139 AromaticContact CG-CE1 3.79Å; F64-F139 HydrophobicContact CG-CE1 3.79Å; A132-F139 HydrophobicContact CB-CE2 4.06Å; A132-F139 HydrophobicContact CB-CZ 3.78Å; V137-F139 HydrophobicContact CG1-CD1 4.17Å; V137-F139 HydrophobicContact CG1-CE1 3.77Å; V137-F139 HydrophobicContact CG1-CZ 4.4Å; F139-V142 HydrophobicContact CB-CG2 4.18Å; F139-W161 AromaticContact CD2-CH2 3.55Å; F139-W161 HydrophobicContact CD2-CH2 3.55Å; F139-W161 AromaticContact CD2-CZ3 3.51Å; F139-W161 HydrophobicContact CD2-CZ3 3.51Å; F139-W161 AromaticContact CE2-CH2 3.48Å; F139-W161 HydrophobicContact CE2-CH2 3.48Å; F139-W161 VanDerWaalsContact CE2-CH2 3.48Å; F139-W161 AromaticContact CE2-CZ3 3.72Å; F139-W161 HydrophobicContact CE2-CZ3 3.72Å; F139-W161 HydrophobicContact CZ-CH2 4.41Å; F139-T166 PolarHBondContact O-OG1 3.42Å; F139-N247 CarbonylContact C-O 3.56Å; F139-N247 WeakPolarHBondContact CA-O 3.14Å; F139-N247 HydrophobicContact CD1-CB 4.24Å; F139-L249 HydrophobicContact CB-CB 4.26Å; F139-L249 HydrophobicContact CD1-CB 3.7Å; F139-L249 HydrophobicContact CD2-CB 4.19Å; F139-L249 HydrophobicContact CD2-CD2 3.86Å; F139-L249 HydrophobicContact CE1-CB 4.03Å; F139-L249 HydrophobicContact CE1-CD1 4.28Å; F139-L249 HydrophobicContact CE2-CB 4.48Å; F139-L249 HydrophobicContact CE2-CD1 4.49Å; F139-L249 HydrophobicContact CE2-CD2 3.85Å; F139-L249 HydrophobicContact CG-CB 3.79Å; F139-L249 HydrophobicContact CG-CD2 4.32Å; F139-L249 HydrophobicContact CZ-CB 4.41Å; F139-L249 HydrophobicContact CZ-CD1 4.13Å; F139-L249 HydrophobicContact CZ-CD2 4.31Å
140S97.6Very high96.1Very high42 Ų4238.8 Ų38.829%0.29418%0.177SC..SBendtrans-77.2-30.7176.355.60000111.7S138 W246 N247S138-S140 PolarHBondContact O-N 3.27Å; S140-W246 VanDerWaalsContact OG-CB 3.31Å; S140-W246 WeakPolarHBondContact OG-CB 3.46Å; S140-N247 PolarHBondContact N-O 3.31Å; S140-N247 PolarHBondContact OG-N 3.45Å; S140-N247 PolarHBondContact OG-O 2.87Å
141H98.5Very high96.3Very high42 Ų4231 Ų3119%0.19415%0.147CC..EExtended strand (participates in β ladder)trans-140.5141.8178.3-52.4-55.4000110.7Y143 R169 H241 I248 L249H141-Y143 HydrophobicContact CB-CE2 3.99Å; H141-R169 PolarHBondContact ND1-NH1 3.17Å; H141-R169 VanDerWaalsContact ND1-NH1 3.16Å; H141-H241 AromaticContact CD2-CD2 3.8Å; H141-H241 AromaticContact CD2-CE1 3.34Å; H141-H241 PolarHBondContact CD2-CE1 3.05Å; H141-H241 AromaticContact CD2-CG 3.6Å; H141-H241 AromaticContact CD2-ND1 3.32Å; H141-H241 PolarHBondContact CD2-ND1 2.85Å; H141-H241 VanDerWaalsContact CD2-ND1 3.32Å; H141-H241 AromaticContact CD2-NE2 3.63Å; H141-H241 AromaticContact CE1-CE1 3.6Å; H141-H241 AromaticContact CE1-ND1 3.7Å; H141-H241 AromaticContact CG-CE1 3.48Å; H141-H241 VanDerWaalsContact CG-CE1 3.48Å; H141-H241 AromaticContact CG-ND1 3.94Å; H141-H241 AromaticContact CG-NE2 3.67Å; H141-H241 AromaticContact ND1-CE1 3.65Å; H141-H241 AromaticContact NE2-CE1 3.47Å; H141-H241 PolarHBondContact NE2-CE1 3.47Å; H141-H241 AromaticContact NE2-CG 3.86Å; H141-H241 AromaticContact NE2-ND1 3.19Å; H141-H241 PolarHBondContact NE2-ND1 2.82Å; H141-H241 VanDerWaalsContact NE2-ND1 3.19Å; H141-I248 HydrophobicContact CB-CG1 4.21Å; H141-I248 WeakPolarHBondContact O-CA 3.45Å; H141-L249 PolarHBondContact O-N 3.45Å
142V98.8Very high96.5Very high0 Ų031.5 Ų31.50%015%0.149CC..EExtended strand (participates in β ladder)trans-125123.4176.4-178.60000109.4F139 A154 L158 T166 I168 R169 L249F139-V142 HydrophobicContact CB-CG2 4.18Å; V142-A154 HydrophobicContact CG1-CB 4.23Å; V142-L158 HydrophobicContact CG2-CD1 4.07Å; V142-L158 HydrophobicContact CG2-CD2 3.82Å; V142-L158 HydrophobicContact CG2-CG 4.15Å; V142-T166 HydrophobicContact CB-CG2 4.49Å; V142-T166 HydrophobicContact CG2-CG2 3.79Å; V142-I168 HydrophobicContact CG1-CG1 4.28Å; V142-I168 HydrophobicContact CG1-CG2 4.34Å; V142-R169 WeakPolarHBondContact O-CB 3.35Å; V142-R169 PolarHBondContact O-N 3.3Å; V142-L249 CarbonylContact C-O 3.56Å; V142-L249 WeakPolarHBondContact CA-O 3.41Å; V142-L249 HydrophobicContact CG1-CB 4.5Å; V142-L249 HydrophobicContact CG1-CD2 4.13Å; V142-L249 HydrophobicContact CG1-CG 4.42Å; V142-L249 HydrophobicContact CG2-CB 4.16Å; V142-L249 HydrophobicContact CG2-CD2 4.23Å
143Y98.9Very high96.6Very high3 Ų331.5 Ų31.51%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-112.5143.5170.6-66.2-94.5000109.2H141 R169 E171 Y205 I237 H241 I248 L249 V250 V251H141-Y143 HydrophobicContact CB-CE2 3.99Å; Y143-R169 CarbonylContact C-O 3.54Å; Y143-R169 WeakPolarHBondContact CA-O 3.38Å; Y143-R169 HydrophobicContact CD1-CB 3.83Å; Y143-R169 HydrophobicContact CE1-CB 4Å; Y143-R169 HydrophobicContact CE1-CG 4.46Å; Y143-R169 HydrophobicContact CG-CB 4.43Å; Y143-E171 HydrophobicContact CD1-CB 4.48Å; Y143-Y205 HydrophobicContact CD1-CE2 4.5Å; Y143-Y205 AromaticContact CE1-CE2 3.77Å; Y143-Y205 HydrophobicContact CE1-CE2 3.77Å; Y143-Y205 AromaticContact CE1-CZ 3.76Å; Y143-Y205 WeakPolarHBondContact CE1-OH 3.38Å; Y143-I237 HydrophobicContact CD1-CD1 3.82Å; Y143-I237 HydrophobicContact CD1-CG1 3.87Å; Y143-I237 HydrophobicContact CD2-CD1 4.27Å; Y143-I237 HydrophobicContact CD2-CG1 4.37Å; Y143-I237 HydrophobicContact CD2-CG2 3.66Å; Y143-I237 HydrophobicContact CE1-CD1 4.41Å; Y143-I237 HydrophobicContact CE1-CG1 3.95Å; Y143-I237 HydrophobicContact CE2-CG1 4.44Å; Y143-I237 HydrophobicContact CE2-CG2 3.54Å; Y143-I237 HydrophobicContact CG-CD1 3.74Å; Y143-I237 HydrophobicContact CG-CG1 4.09Å; Y143-I237 HydrophobicContact CG-CG2 4.22Å; Y143-H241 AromaticContact CE2-NE2 3.75Å; Y143-H241 AromaticContact CZ-NE2 3.71Å; Y143-H241 PolarHBondContact OH-NE2 3.19Å; Y143-I248 HydrophobicContact CD2-CG2 3.75Å; Y143-I248 HydrophobicContact CE2-CG2 4.08Å; Y143-L249 PolarHBondContact N-O 3.18Å; Y143-V250 CarbonylContact O-C 3.55Å; Y143-V250 VanDerWaalsContact O-CA 3.29Å; Y143-V250 WeakPolarHBondContact O-CA 3.42Å; Y143-V251 PolarHBondContact O-N 3.44Å
144C98.9Very high96.9Very high0 Ų024.4 Ų24.40%012%0.122CC..EExtended strand (participates in β ladder)trans-143.4138.3-173.5-173.20000111C150 V151 A154 I168 R169 I170 E171 V251C144-C150 VanDerWaalsContact SG-CB 3.54Å; C144-C150 PolarHBondContact SG-O 2.85Å; C144-V151 PolarHBondContact SG-N 2.77Å; C144-V151 VanDerWaalsContact SG-N 3.45Å; C144-A154 HydrophobicContact CB-CB 4.34Å; C144-I168 HydrophobicContact CB-CG2 3.43Å; C144-I168 VanDerWaalsContact CB-CG2 3.43Å; C144-R169 PolarHBondContact N-O 3.38Å; C144-I170 HydrophobicContact CB-CD1 4.32Å; C144-E171 PolarHBondContact O-N 3.27Å; C144-V251 WeakPolarHBondContact CA-O 3.23Å
145S98.8Very high97.2Very high0 Ų021 Ų210%010%0.103CC..  trans-57.2145.4163.91770000110.5A147 F175 V251 H253S145-A147 PolarHBondContact O-N 3.38Å; S145-A147 VanDerWaalsContact O-N 3.13Å; S145-F175 WeakPolarHBondContact OG-CA 3.49Å; S145-V251 PolarHBondContact N-O 2.81Å; S145-H253 WeakPolarHBondContact CB-NE2 3.49Å; S145-H253 PolarHBondContact OG-NE2 2.92Å
146P98.4Very high97.8Very high2 Ų219.7 Ų19.71%0.01310%0.096CC..SBendtrans-68.4-9.3-17929-38.8000114.4L148 I170 F188 M194 I211P146-L148 PolarHBondContact O-N 3.16Å; P146-I170 HydrophobicContact CB-CG2 3.75Å; P146-F188 HydrophobicContact CB-CB 4.08Å; P146-F188 HydrophobicContact CB-CD1 4.06Å; P146-F188 HydrophobicContact CB-CD2 4.07Å; P146-F188 HydrophobicContact CB-CG 3.81Å; P146-F188 HydrophobicContact CG-CD1 4.17Å; P146-F188 HydrophobicContact CG-CD2 3.92Å; P146-F188 HydrophobicContact CG-CE1 4.14Å; P146-F188 HydrophobicContact CG-CE2 3.88Å; P146-F188 HydrophobicContact CG-CG 4.05Å; P146-F188 HydrophobicContact CG-CZ 3.98Å; P146-M194 WeakPolarHBondContact O-CE 3.49Å; P146-I211 HydrophobicContact CG-CD1 4.35Å
147A98.5Very high98.1Very high0 Ų09.8 Ų9.80%06%0.058CC..SBendtrans-61133.9178.400000111.4D114 S145 R149 C150 V151 F175 F188D114-A147 VanDerWaalsContact OD1-CA 3.27Å; D114-A147 WeakPolarHBondContact OD1-CA 3.48Å; S145-A147 PolarHBondContact O-N 3.38Å; S145-A147 VanDerWaalsContact O-N 3.13Å; A147-R149 VanDerWaalsContact C-N 3.28Å; A147-R149 HydrophobicContact CB-CG 4.25Å; A147-R149 PolarHBondContact O-N 3.1Å; A147-C150 HydrophobicContact CB-CB 4.48Å; A147-C150 WeakPolarHBondContact O-CA 3.42Å; A147-C150 WeakPolarHBondContact O-CB 3.33Å; A147-C150 PolarHBondContact O-N 3.38Å; A147-V151 PolarHBondContact O-N 2.79Å; A147-V151 VanDerWaalsContact O-N 3.13Å; A147-F175 HydrophobicContact CB-CD2 4.38Å; A147-F175 HydrophobicContact CB-CE2 4.17Å; A147-F188 HydrophobicContact CB-CE1 4.26Å
148L98.6Very high98.3Very high1 Ų19.9 Ų9.91%0.0056%0.059CC..Hα-helixtrans-53.4-44.5-174.4177.158.6000112.3P102 F111 D114 P116 P146 C150 V151 Q152 L189 Y199P102-L148 HydrophobicContact CG-CD1 4.18Å; P102-L148 HydrophobicContact CG-CD2 3.78Å; F111-L148 HydrophobicContact CD1-CD2 4.27Å; F111-L148 HydrophobicContact CE1-CD2 3.84Å; D114-L148 PolarHBondContact OD1-N 3.45Å; P116-L148 HydrophobicContact CB-CD2 3.85Å; P116-L148 HydrophobicContact CB-CG 4.33Å; P146-L148 PolarHBondContact O-N 3.16Å; L148-C150 VanDerWaalsContact C-N 3.28Å; L148-C150 PolarHBondContact O-N 2.93Å; L148-V151 PolarHBondContact O-N 3.28Å; L148-Q152 HydrophobicContact CD1-CG 4.17Å; L148-Q152 HydrophobicContact CG-CG 4.45Å; L148-Q152 WeakPolarHBondContact O-CB 3.44Å; L148-Q152 WeakPolarHBondContact O-CG 3.38Å; L148-Q152 PolarHBondContact O-N 2.64Å; L148-L189 HydrophobicContact CD1-CD1 4.13Å; L148-Y199 HydrophobicContact CD1-CE2 4.16Å
149R98.7Very high98.4Very high0 Ų011.6 Ų11.60%06%0.057CC..Hα-helixtrans-58.3-35.7175.761-171.7-174.4-97.11.7114H68 T115 C117 A147 S153 E176 H253H68-R149 HydrophobicContact CB-CB 4.32Å; H68-R149 HydrophobicContact CB-CG 4.15Å; H68-R149 PolarHBondContact CD2-NE 2.84Å; H68-R149 VanDerWaalsContact CD2-NE 3.32Å; H68-R149 VanDerWaalsContact CE1-CD 3.42Å; H68-R149 WeakPolarHBondContact CE1-CD 3.33Å; H68-R149 PolarHBondContact CE1-NE 2.78Å; H68-R149 WeakPolarHBondContact NE2-CD 3.44Å; H68-R149 PolarHBondContact NE2-NE 3.11Å; T115-R149 WeakPolarHBondContact O-CB 3.36Å; C117-R149 PolarHBondContact SG-O 3.45Å; A147-R149 VanDerWaalsContact C-N 3.28Å; A147-R149 HydrophobicContact CB-CG 4.25Å; A147-R149 PolarHBondContact O-N 3.1Å; R149-S153 WeakPolarHBondContact O-CB 3.35Å; R149-S153 PolarHBondContact O-N 2.87Å; R149-S153 PolarHBondContact O-OG 3.35Å; R149-E176 IonicContact CZ-OE1 3.47Å; R149-E176 IonicContact NH2-OE1 3.55Å; R149-E176 PolarHBondContact NH2-OE1 3.11Å; R149-E176 IonicContact NH2-OE2 3.56Å; R149-H253 PolarHBondContact NH2-CE1 2.87Å; R149-H253 PolarHBondContact NH2-ND1 2.85Å
150C98.9Very high98.3Very high0 Ų011.6 Ų11.60%06%0.059CC..Hα-helixtrans-71-44177.2-62.80000110.1C144 A147 L148 S153 A154 V251 G252 H253C144-C150 VanDerWaalsContact SG-CB 3.54Å; C144-C150 PolarHBondContact SG-O 2.85Å; A147-C150 HydrophobicContact CB-CB 4.48Å; A147-C150 WeakPolarHBondContact O-CA 3.42Å; A147-C150 WeakPolarHBondContact O-CB 3.33Å; A147-C150 PolarHBondContact O-N 3.38Å; L148-C150 VanDerWaalsContact C-N 3.28Å; L148-C150 PolarHBondContact O-N 2.93Å; C150-S153 WeakPolarHBondContact O-CB 3.33Å; C150-S153 PolarHBondContact O-N 2.79Å; C150-S153 VanDerWaalsContact O-N 3.17Å; C150-A154 WeakPolarHBondContact O-CB 3.46Å; C150-A154 PolarHBondContact O-N 2.8Å; C150-V251 HydrophobicContact CB-CG1 4.12Å; C150-V251 WeakPolarHBondContact O-CG1 3.39Å; C150-G252 PolarHBondContact SG-O 2.85Å; C150-G252 VanDerWaalsContact SG-O 3.42Å; C150-H253 PolarHBondContact SG-CE1 3.16Å
151V98.8Very high98.3Very high0 Ų011.7 Ų11.70%05%0.053CC..Hα-helixtrans-63.1-45.4178.3179.80000111.2C144 A147 L148 S153 A154 H155 I170 M194 Y199 V201C144-V151 PolarHBondContact SG-N 2.77Å; C144-V151 VanDerWaalsContact SG-N 3.45Å; A147-V151 PolarHBondContact O-N 2.79Å; A147-V151 VanDerWaalsContact O-N 3.13Å; L148-V151 PolarHBondContact O-N 3.28Å; V151-S153 VanDerWaalsContact C-N 3.29Å; V151-S153 PolarHBondContact O-N 2.9Å; V151-A154 PolarHBondContact O-N 2.59Å; V151-H155 VanDerWaalsContact O-CB 3.3Å; V151-H155 WeakPolarHBondContact O-CB 3.35Å; V151-H155 PolarHBondContact O-N 2.92Å; V151-I170 HydrophobicContact CG2-CD1 3.73Å; V151-M194 HydrophobicContact CG1-SD 4.04Å; V151-M194 HydrophobicContact CG2-CE 3.69Å; V151-M194 HydrophobicContact CG2-SD 3.85Å; V151-Y199 HydrophobicContact CG1-CD1 4.22Å; V151-Y199 HydrophobicContact CG1-CD2 3.98Å; V151-Y199 HydrophobicContact CG1-CG 3.81Å; V151-V201 HydrophobicContact CG1-CG2 4.47Å
152Q98.7Very high98Very high16 Ų1614.9 Ų14.98%0.0758%0.077CC..Hα-helixtrans-57.5-43.5173.1-74.2174.2-4300111.4Y122 L148 G156 Y199Y122-Q152 HydrophobicContact CD2-CB 4.46Å; Y122-Q152 WeakPolarHBondContact CD2-O 3.16Å; Y122-Q152 VanDerWaalsContact CE2-O 3.23Å; Y122-Q152 WeakPolarHBondContact CE2-O 3.41Å; L148-Q152 HydrophobicContact CD1-CG 4.17Å; L148-Q152 HydrophobicContact CG-CG 4.45Å; L148-Q152 WeakPolarHBondContact O-CB 3.44Å; L148-Q152 WeakPolarHBondContact O-CG 3.38Å; L148-Q152 PolarHBondContact O-N 2.64Å; Q152-G156 PolarHBondContact O-N 3.04Å; Q152-Y199 HydrophobicContact CG-CE1 4.02Å; Q152-Y199 WeakPolarHBondContact CG-OH 3.33Å
153S98.9Very high97.6Very high0 Ų018.9 Ų18.90%012%0.118CC..Hα-helixtrans-66.8-46178.5-59.40000112.2H68 G69 A125 R149 C150 V151 H155 G156 M157H68-S153 VanDerWaalsContact CA-OG 3.31Å; H68-S153 WeakPolarHBondContact CA-OG 3.16Å; H68-S153 WeakPolarHBondContact CB-OG 3.45Å; G69-S153 PolarHBondContact N-OG 2.86Å; A125-S153 WeakPolarHBondContact CB-O 3.27Å; R149-S153 WeakPolarHBondContact O-CB 3.35Å; R149-S153 PolarHBondContact O-N 2.87Å; R149-S153 PolarHBondContact O-OG 3.35Å; C150-S153 WeakPolarHBondContact O-CB 3.33Å; C150-S153 PolarHBondContact O-N 2.79Å; C150-S153 VanDerWaalsContact O-N 3.17Å; V151-S153 VanDerWaalsContact C-N 3.29Å; V151-S153 PolarHBondContact O-N 2.9Å; S153-H155 VanDerWaalsContact C-N 3.32Å; S153-H155 PolarHBondContact O-N 3.08Å; S153-G156 PolarHBondContact O-N 3.44Å; S153-M157 WeakPolarHBondContact O-CG 3.13Å; S153-M157 PolarHBondContact O-N 2.9Å
154A98.8Very high97.4Very high0 Ų021.1 Ų21.10%013%0.132CC..Hα-helixtrans-60.2-43.3177.100000111.5V142 C144 C150 V151 M157 L158 I168 V251V142-A154 HydrophobicContact CG1-CB 4.23Å; C144-A154 HydrophobicContact CB-CB 4.34Å; C150-A154 WeakPolarHBondContact O-CB 3.46Å; C150-A154 PolarHBondContact O-N 2.8Å; V151-A154 PolarHBondContact O-N 2.59Å; A154-M157 PolarHBondContact O-N 3.2Å; A154-L158 PolarHBondContact O-N 3.11Å; A154-I168 HydrophobicContact CB-CD1 3.95Å; A154-I168 HydrophobicContact CB-CG1 4.24Å; A154-I168 HydrophobicContact CB-CG2 4.22Å; A154-V251 HydrophobicContact CB-CB 4.1Å; A154-V251 HydrophobicContact CB-CG1 4.47Å; A154-V251 HydrophobicContact CB-CG2 3.71Å
155H98.3Very high97.3Very high14 Ų1427.1 Ų27.17%0.06517%0.169CC..Hα-helixtrans-61-46.5174.4-17475.5000111.8Y122 V151 S153 M157 L158 K159 I168 G198 Y199Y122-H155 PolarHBondContact OH-CD2 3.48Å; V151-H155 VanDerWaalsContact O-CB 3.3Å; V151-H155 WeakPolarHBondContact O-CB 3.35Å; V151-H155 PolarHBondContact O-N 2.92Å; S153-H155 VanDerWaalsContact C-N 3.32Å; S153-H155 PolarHBondContact O-N 3.08Å; H155-M157 PolarHBondContact O-N 3.2Å; H155-L158 PolarHBondContact O-N 3.42Å; H155-K159 WeakPolarHBondContact NE2-CE 3.38Å; H155-K159 PolarHBondContact NE2-NZ 3.01Å; H155-K159 PolarHBondContact O-N 3.46Å; H155-I168 HydrophobicContact CB-CD1 4.05Å; H155-G198 PolarHBondContact CE1-O 3.23Å; H155-Y199 HydrophobicContact CB-CD1 3.93Å; H155-Y199 AromaticContact CG-CD1 3.83Å
156G98.2Very high97.2Very high0 Ų028.2 Ų28.20%018%0.176CC..Hα-helixtrans-59.5-44.317700000112.7Y122 Q126 Q152 S153 L158 K159Y122-G156 VanDerWaalsContact CE2-CA 3.47Å; Q126-G156 WeakPolarHBondContact CA-O 3.39Å; Q152-G156 PolarHBondContact O-N 3.04Å; S153-G156 PolarHBondContact O-N 3.44Å; G156-L158 VanDerWaalsContact C-N 3.35Å; G156-L158 PolarHBondContact O-N 3.07Å; G156-K159 WeakPolarHBondContact O-CB 3.33Å; G156-K159 PolarHBondContact O-N 3.47Å
157M98.4Very high97.2Very high1 Ų131.4 Ų31.41%0.00519%0.19CC..Hα-helixtrans-61.1-42.5175.6-69.4169.3-169.500111.8A66 A125 I128 G129 S153 A154 H155 K159 A160 W161 L249 V251A66-M157 HydrophobicContact CB-CE 3.85Å; A66-M157 HydrophobicContact CB-SD 4.24Å; A125-M157 HydrophobicContact CB-CE 4.29Å; A125-M157 HydrophobicContact CB-CG 4.17Å; A125-M157 WeakPolarHBondContact O-CA 3.41Å; A125-M157 WeakPolarHBondContact O-CG 3.5Å; I128-M157 HydrophobicContact CB-CE 4.28Å; I128-M157 HydrophobicContact CB-CG 4.26Å; I128-M157 HydrophobicContact CD1-CE 3.71Å; I128-M157 HydrophobicContact CG2-CE 4.08Å; I128-M157 HydrophobicContact CG2-CG 4.23Å; I128-M157 HydrophobicContact CG2-SD 4.26Å; G129-M157 WeakPolarHBondContact CA-O 3.31Å; S153-M157 WeakPolarHBondContact O-CG 3.13Å; S153-M157 PolarHBondContact O-N 2.9Å; A154-M157 PolarHBondContact O-N 3.2Å; H155-M157 PolarHBondContact O-N 3.2Å; M157-K159 VanDerWaalsContact C-N 3.27Å; M157-K159 PolarHBondContact O-N 3.4Å; M157-A160 PolarHBondContact O-N 3.48Å; M157-W161 WeakPolarHBondContact O-CZ3 3.48Å; M157-L249 HydrophobicContact CB-CD2 4.28Å; M157-L249 HydrophobicContact SD-CD1 4.23Å; M157-L249 HydrophobicContact SD-CD2 3.85Å; M157-V251 HydrophobicContact SD-CG2 4.05Å
158L97.6Very high97.2Very high10 Ų1031.4 Ų31.45%0.05219%0.19CC..Hα-helixtrans-67.5-22.7179.6-78.8177.8000113.9V142 A154 H155 G156 A160 W161 T166 I168V142-L158 HydrophobicContact CG2-CD1 4.07Å; V142-L158 HydrophobicContact CG2-CD2 3.82Å; V142-L158 HydrophobicContact CG2-CG 4.15Å; A154-L158 PolarHBondContact O-N 3.11Å; H155-L158 PolarHBondContact O-N 3.42Å; G156-L158 VanDerWaalsContact C-N 3.35Å; G156-L158 PolarHBondContact O-N 3.07Å; L158-A160 PolarHBondContact O-N 3.22Å; L158-W161 HydrophobicContact CD2-CE3 4.43Å; L158-W161 PolarHBondContact O-N 3.35Å; L158-T166 HydrophobicContact CD2-CG2 4.36Å; L158-I168 HydrophobicContact CD1-CD1 4.29Å; L158-I168 HydrophobicContact CD1-CG1 3.65Å
159K96.4Very high97.2Very high104 Ų10433.2 Ų33.245%0.45220%0.196SC..THydrogen-bonded Turntrans-59.2-16.3175.6-69.7-65.8-179-172.80113.8H155 G156 M157 W161H155-K159 WeakPolarHBondContact NE2-CE 3.38Å; H155-K159 PolarHBondContact NE2-NZ 3.01Å; H155-K159 PolarHBondContact O-N 3.46Å; G156-K159 WeakPolarHBondContact O-CB 3.33Å; G156-K159 PolarHBondContact O-N 3.47Å; M157-K159 VanDerWaalsContact C-N 3.27Å; M157-K159 PolarHBondContact O-N 3.4Å; K159-W161 PolarHBondContact O-N 3.32Å
160A96.1Very high97.2Very high8 Ų833.8 Ų33.87%0.06620%0.199CC..THydrogen-bonded Turntrans-65.3-19.1173.400000113.7G129 R133 M157 L158 P162G129-A160 VanDerWaalsContact O-CB 3.3Å; G129-A160 WeakPolarHBondContact O-CB 3.27Å; R133-A160 HydrophobicContact CB-CB 4.46Å; R133-A160 WeakPolarHBondContact CD-O 3.43Å; R133-A160 PolarHBondContact NH1-O 3.34Å; M157-A160 PolarHBondContact O-N 3.48Å; L158-A160 PolarHBondContact O-N 3.22Å; A160-P162 WeakPolarHBondContact O-CD 3.21Å
161W96.6Very high97.2Very high44 Ų4433.8 Ų33.817%0.16720%0.199CC..SBendtrans-120.476.9175.7-56.5-89.1000111.6A132 R133 V137 F139 M157 L158 K159 G163 T164A132-W161 HydrophobicContact CB-CH2 3.77Å; A132-W161 HydrophobicContact CB-CZ2 4.12Å; R133-W161 HydrophobicContact CB-CZ2 3.91Å; V137-W161 WeakPolarHBondContact O-CZ2 3.28Å; F139-W161 AromaticContact CD2-CH2 3.55Å; F139-W161 HydrophobicContact CD2-CH2 3.55Å; F139-W161 AromaticContact CD2-CZ3 3.51Å; F139-W161 HydrophobicContact CD2-CZ3 3.51Å; F139-W161 AromaticContact CE2-CH2 3.48Å; F139-W161 HydrophobicContact CE2-CH2 3.48Å; F139-W161 VanDerWaalsContact CE2-CH2 3.48Å; F139-W161 AromaticContact CE2-CZ3 3.72Å; F139-W161 HydrophobicContact CE2-CZ3 3.72Å; F139-W161 HydrophobicContact CZ-CH2 4.41Å; M157-W161 WeakPolarHBondContact O-CZ3 3.48Å; L158-W161 HydrophobicContact CD2-CE3 4.43Å; L158-W161 PolarHBondContact O-N 3.35Å; K159-W161 PolarHBondContact O-N 3.32Å; W161-G163 PolarHBondContact O-N 2.86Å; W161-T164 HydrophobicContact CB-CG2 4.25Å; W161-T164 WeakPolarHBondContact O-CB 3.33Å; W161-T164 VanDerWaalsContact O-CG2 3.27Å; W161-T164 WeakPolarHBondContact O-CG2 3.31Å; W161-T164 PolarHBondContact O-N 3.49Å; W161-T164 VanDerWaalsContact O-N 3.14Å
162P92.1Very high97.2Very high110 Ų11034.1 Ų34.171%0.71420%0.202SC*.THydrogen-bonded Turntrans-54134.1173.2-22.933.2000111.3A160 T164A160-P162 WeakPolarHBondContact O-CD 3.21Å; P162-T164 VanDerWaalsContact C-N 3.31Å; P162-T164 PolarHBondContact O-N 2.84Å
163G91.2Very high97.2Very high83 Ų8333.4 Ų33.486%0.85620%0.198SC*.THydrogen-bonded Turntrans79.25.1-179.700000115.4W161W161-G163 PolarHBondContact O-N 2.86Å
164T94.5Very high97.1Very high50 Ų5033.5 Ų33.531%0.30720%0.199SC..  trans-60141.1172.1-171.90000111.5W161 P162 T166W161-T164 HydrophobicContact CB-CG2 4.25Å; W161-T164 WeakPolarHBondContact O-CB 3.33Å; W161-T164 VanDerWaalsContact O-CG2 3.27Å; W161-T164 WeakPolarHBondContact O-CG2 3.31Å; W161-T164 PolarHBondContact O-N 3.49Å; W161-T164 VanDerWaalsContact O-N 3.14Å; P162-T164 VanDerWaalsContact C-N 3.31Å; P162-T164 PolarHBondContact O-N 2.84Å; T164-T166 VanDerWaalsContact C-N 3.31Å; T164-T166 WeakPolarHBondContact OG1-CB 3.49Å; T164-T166 PolarHBondContact OG1-N 3.39Å; T164-T166 PolarHBondContact OG1-OG1 2.83Å
165T95.8Very high97.1Very high127 Ų12733.6 Ų33.678%0.77920%0.199SC*.  trans-83.6-10.5171.154.40000112.2K167T165-K167 PolarHBondContact O-N 3.49Å
166T97.6Very high97Very high23 Ų2333.4 Ų33.414%0.14120%0.198CC..PPolyproline II helixtrans-63118.1177.7-55.80000110.4F139 V142 L158 T164F139-T166 PolarHBondContact O-OG1 3.42Å; V142-T166 HydrophobicContact CB-CG2 4.49Å; V142-T166 HydrophobicContact CG2-CG2 3.79Å; L158-T166 HydrophobicContact CD2-CG2 4.36Å; T164-T166 VanDerWaalsContact C-N 3.31Å; T164-T166 WeakPolarHBondContact OG1-CB 3.49Å; T164-T166 PolarHBondContact OG1-N 3.39Å; T164-T166 PolarHBondContact OG1-OG1 2.83Å
167K98.3Very high96.9Very high69 Ų6935 Ų3530%0.321%0.205SC..PPolyproline II helixtrans-103161.4176-58.3-53.8-175.1-174.40111.6T165 E200 E202T165-K167 PolarHBondContact O-N 3.49Å; K167-E200 CarbonylContact C-O 3.41Å; K167-E200 WeakPolarHBondContact CA-O 3.35Å; K167-E200 HydrophobicContact CD-CB 4.08Å; K167-E200 IonicContact NZ-OE2 2.61Å; K167-E200 PolarHBondContact NZ-OE2 3.32Å; K167-E202 HydrophobicContact CB-CB 3.8Å
168I98.8Very high96.8Very high0 Ų035 Ų350%020%0.204CC..EExtended strand (participates in β ladder)trans-86.3118.9178.6-55.5166.8000108.5V142 C144 A154 H155 L158 I170 E200 V201 E202V142-I168 HydrophobicContact CG1-CG1 4.28Å; V142-I168 HydrophobicContact CG1-CG2 4.34Å; C144-I168 HydrophobicContact CB-CG2 3.43Å; C144-I168 VanDerWaalsContact CB-CG2 3.43Å; A154-I168 HydrophobicContact CB-CD1 3.95Å; A154-I168 HydrophobicContact CB-CG1 4.24Å; A154-I168 HydrophobicContact CB-CG2 4.22Å; H155-I168 HydrophobicContact CB-CD1 4.05Å; L158-I168 HydrophobicContact CD1-CD1 4.29Å; L158-I168 HydrophobicContact CD1-CG1 3.65Å; I168-I170 HydrophobicContact CG2-CD1 3.96Å; I168-E200 PolarHBondContact N-O 3.41Å; I168-V201 HydrophobicContact CB-CG2 4.21Å; I168-V201 WeakPolarHBondContact O-CA 3.44Å; I168-E202 PolarHBondContact O-N 3.18Å
169R98.8Very high96.5Very high38 Ų3835.3 Ų35.314%0.14321%0.21CC..EExtended strand (participates in β ladder)trans-91.2117.4173.7-67175.7-179.4121.617109.8H141 V142 Y143 C144 E171 E202 Y205H141-R169 PolarHBondContact ND1-NH1 3.17Å; H141-R169 VanDerWaalsContact ND1-NH1 3.16Å; V142-R169 WeakPolarHBondContact O-CB 3.35Å; V142-R169 PolarHBondContact O-N 3.3Å; Y143-R169 CarbonylContact C-O 3.54Å; Y143-R169 WeakPolarHBondContact CA-O 3.38Å; Y143-R169 HydrophobicContact CD1-CB 3.83Å; Y143-R169 HydrophobicContact CE1-CB 4Å; Y143-R169 HydrophobicContact CE1-CG 4.46Å; Y143-R169 HydrophobicContact CG-CB 4.43Å; C144-R169 PolarHBondContact N-O 3.38Å; R169-E171 PolarHBondContact O-N 3.28Å; R169-E202 HydrophobicContact CG-CB 4.08Å; R169-E202 IonicContact CZ-OE1 2.75Å; R169-E202 IonicContact CZ-OE2 2.95Å; R169-E202 VanDerWaalsContact CZ-OE2 3.29Å; R169-E202 VanDerWaalsContact NE-CD 3.3Å; R169-E202 IonicContact NE-OE1 2.96Å; R169-E202 PolarHBondContact NE-OE1 3.42Å; R169-E202 IonicContact NE-OE2 2.95Å; R169-E202 PolarHBondContact NE-OE2 3.4Å; R169-E202 IonicContact NH2-OE1 3.74Å; R169-E202 IonicContact NH2-OE2 3.61Å; R169-E202 PolarHBondContact NH2-OE2 3.03Å; R169-Y205 HydrophobicContact CB-CD1 3.76Å; R169-Y205 HydrophobicContact CB-CD2 3.86Å; R169-Y205 HydrophobicContact CB-CE1 3.95Å; R169-Y205 HydrophobicContact CB-CE2 4.06Å; R169-Y205 HydrophobicContact CB-CG 3.69Å; R169-Y205 HydrophobicContact CG-CD1 4.36Å; R169-Y205 HydrophobicContact CG-CD2 3.7Å; R169-Y205 HydrophobicContact CG-CE2 4.22Å; R169-Y205 HydrophobicContact CG-CG 3.77Å
170I98.8Very high96.3Very high13 Ų1335 Ų357%0.06721%0.206CC..EExtended strand (participates in β ladder)trans-81.4110.8179.9-55.8-57.9000109.2C144 P146 V151 I168 P172 M194 V201 Y205C144-I170 HydrophobicContact CB-CD1 4.32Å; P146-I170 HydrophobicContact CB-CG2 3.75Å; V151-I170 HydrophobicContact CG2-CD1 3.73Å; I168-I170 HydrophobicContact CG2-CD1 3.96Å; I170-P172 WeakPolarHBondContact O-CD 3.45Å; I170-M194 HydrophobicContact CD1-CE 4.28Å; I170-M194 HydrophobicContact CD1-SD 3.64Å; I170-M194 HydrophobicContact CG1-SD 3.79Å; I170-V201 HydrophobicContact CD1-CG1 4.49Å; I170-V201 HydrophobicContact CD1-CG2 4.16Å; I170-V201 HydrophobicContact CG1-CG1 3.78Å; I170-V201 HydrophobicContact CG1-CG2 4.31Å; I170-Y205 VanDerWaalsContact O-CD1 3.32Å; I170-Y205 WeakPolarHBondContact O-CD1 3.43Å; I170-Y205 WeakPolarHBondContact O-CE1 3.42Å
171E98.7Very high96.1Very high0 Ų035.7 Ų35.70%021%0.207CC..  trans-113.9100-180173.754.1-116.700109.6Y143 C144 R169 G173 L174 Y205 I208 M209 V233Y143-E171 HydrophobicContact CD1-CB 4.48Å; C144-E171 PolarHBondContact O-N 3.27Å; R169-E171 PolarHBondContact O-N 3.28Å; E171-G173 PolarHBondContact O-N 2.79Å; E171-G173 WeakPolarHBondContact OE1-CA 3.28Å; E171-G173 PolarHBondContact OE1-N 3.3Å; E171-L174 HydrophobicContact CB-CD1 3.88Å; E171-L174 HydrophobicContact CB-CG 4.06Å; E171-L174 HydrophobicContact CG-CD1 4.1Å; E171-L174 HydrophobicContact CG-CG 3.78Å; E171-L174 WeakPolarHBondContact O-CB 3.27Å; E171-L174 PolarHBondContact O-N 3.27Å; E171-Y205 HydrophobicContact CB-CE1 4.28Å; E171-Y205 PolarHBondContact OE2-OH 2.9Å; E171-I208 WeakPolarHBondContact OE2-CB 3.36Å; E171-I208 PolarHBondContact OE2-N 3.01Å; E171-M209 PolarHBondContact OE1-N 2.99Å; E171-M209 VanDerWaalsContact OE1-N 3.11Å; E171-V233 HydrophobicContact CG-CG1 3.6Å
172P98.3Very high95.7Very high7 Ų743.8 Ų43.85%0.04524%0.238CC..G310 helixtrans-51.1-35.8175.4-29.136.3000114.3I170 L174 F175 M209 I211 M214I170-P172 WeakPolarHBondContact O-CD 3.45Å; P172-L174 PolarHBondContact O-N 3.25Å; P172-F175 WeakPolarHBondContact O-CB 3.31Å; P172-F175 PolarHBondContact O-N 2.9Å; P172-M209 VanDerWaalsContact CB-O 3.29Å; P172-M209 WeakPolarHBondContact CB-O 3.07Å; P172-M209 VanDerWaalsContact CD-O 3.24Å; P172-M209 WeakPolarHBondContact CD-O 3.46Å; P172-M209 VanDerWaalsContact CG-O 3.3Å; P172-M209 WeakPolarHBondContact CG-O 3.42Å; P172-I211 HydrophobicContact CB-CD1 3.74Å; P172-I211 HydrophobicContact CB-CG1 4.19Å; P172-I211 HydrophobicContact CG-CD1 3.8Å; P172-I211 HydrophobicContact CG-CG1 3.83Å; P172-M214 HydrophobicContact CB-CG 4Å; P172-M214 WeakPolarHBondContact O-CE 3.23Å
173G98Very high95.5Very high0 Ų046.1 Ų46.10%024%0.244CC..G310 helixtrans-60.7-12.1177.400000115E171 R229E171-G173 PolarHBondContact O-N 2.79Å; E171-G173 WeakPolarHBondContact OE1-CA 3.28Å; E171-G173 PolarHBondContact OE1-N 3.3Å; G173-R229 PolarHBondContact O-NH1 3.2Å
174L98.5Very high95.5Very high2 Ų243.2 Ų43.21%0.0121%0.214CC..G310 helixtrans-89.6-1.1173.5-65.4174.7000114.2E171 P172 V233 I234 I237 V250E171-L174 HydrophobicContact CB-CD1 3.88Å; E171-L174 HydrophobicContact CB-CG 4.06Å; E171-L174 HydrophobicContact CG-CD1 4.1Å; E171-L174 HydrophobicContact CG-CG 3.78Å; E171-L174 WeakPolarHBondContact O-CB 3.27Å; E171-L174 PolarHBondContact O-N 3.27Å; P172-L174 PolarHBondContact O-N 3.25Å; L174-V233 HydrophobicContact CD2-CG1 3.81Å; L174-V233 HydrophobicContact CG-CG1 4.06Å; L174-I234 HydrophobicContact CD2-CD1 4.02Å; L174-I237 HydrophobicContact CD1-CD1 4.37Å; L174-I237 HydrophobicContact CD2-CD1 4.38Å; L174-V250 HydrophobicContact CD1-CG1 3.59Å; L174-V250 HydrophobicContact CD2-CG1 3.7Å; L174-V250 HydrophobicContact CG-CG1 4.27Å
175F98Very high95.5Very high2 Ų242.1 Ų42.11%0.00921%0.207CC..  trans-61.8151.9174.6-168.1-121000111.7S145 A147 P172 M178 Y181 L185 P186 F188 M214 R229 H253S145-F175 WeakPolarHBondContact OG-CA 3.49Å; A147-F175 HydrophobicContact CB-CD2 4.38Å; A147-F175 HydrophobicContact CB-CE2 4.17Å; P172-F175 WeakPolarHBondContact O-CB 3.31Å; P172-F175 PolarHBondContact O-N 2.9Å; F175-M178 HydrophobicContact CD1-CG 4.21Å; F175-Y181 AromaticContact CE1-CD2 3.71Å; F175-Y181 HydrophobicContact CE1-CD2 3.71Å; F175-Y181 AromaticContact CE1-CE2 3.46Å; F175-Y181 HydrophobicContact CE1-CE2 3.46Å; F175-Y181 VanDerWaalsContact CE1-CE2 3.46Å; F175-Y181 HydrophobicContact CE1-CG 4.33Å; F175-Y181 AromaticContact CE1-CZ 3.9Å; F175-Y181 HydrophobicContact CE2-CE2 4.48Å; F175-Y181 HydrophobicContact CZ-CD2 4.05Å; F175-Y181 AromaticContact CZ-CE1 3.99Å; F175-Y181 HydrophobicContact CZ-CE1 3.99Å; F175-Y181 AromaticContact CZ-CE2 3.37Å; F175-Y181 HydrophobicContact CZ-CE2 3.37Å; F175-Y181 AromaticContact CZ-CZ 3.33Å; F175-Y181 WeakPolarHBondContact CZ-OH 3.3Å; F175-L185 HydrophobicContact CD1-CD2 4.13Å; F175-L185 HydrophobicContact CE1-CD2 4.08Å; F175-P186 HydrophobicContact CE1-CG 4.29Å; F175-P186 HydrophobicContact CE2-CG 4.33Å; F175-P186 HydrophobicContact CZ-CG 3.62Å; F175-F188 HydrophobicContact CD1-CZ 4.09Å; F175-F188 AromaticContact CD2-CE1 3.94Å; F175-F188 HydrophobicContact CD2-CE1 3.94Å; F175-F188 AromaticContact CD2-CZ 3.61Å; F175-F188 HydrophobicContact CD2-CZ 3.61Å; F175-F188 AromaticContact CE1-CZ 3.94Å; F175-F188 HydrophobicContact CE1-CZ 3.94Å; F175-F188 AromaticContact CE2-CE1 3.59Å; F175-F188 HydrophobicContact CE2-CE1 3.59Å; F175-F188 AromaticContact CE2-CZ 3.47Å; F175-F188 HydrophobicContact CE2-CZ 3.47Å; F175-F188 VanDerWaalsContact CE2-CZ 3.47Å; F175-F188 AromaticContact CG-CZ 3.92Å; F175-F188 HydrophobicContact CG-CZ 3.92Å; F175-F188 HydrophobicContact CZ-CE1 4.04Å; F175-F188 AromaticContact CZ-CZ 3.62Å; F175-F188 HydrophobicContact CZ-CZ 3.62Å; F175-M214 HydrophobicContact CB-CE 3.86Å; F175-M214 HydrophobicContact CD1-CE 4.42Å; F175-R229 PolarHBondContact O-NH1 3.16Å; F175-R229 PolarHBondContact O-NH2 3.31Å; F175-H253 AromaticContact CD2-NE2 3.64Å
176E96.5Very high95.5Very high11 Ų1136.3 Ų36.35%0.05117%0.171CC..  trans-67.7-174.6-178.661.5-170.3164.300112.7R149 M178 W180 Y181 R229 H253R149-E176 IonicContact CZ-OE1 3.47Å; R149-E176 IonicContact NH2-OE1 3.55Å; R149-E176 PolarHBondContact NH2-OE1 3.11Å; R149-E176 IonicContact NH2-OE2 3.56Å; E176-M178 PolarHBondContact O-N 3.38Å; E176-M178 VanDerWaalsContact O-N 3.11Å; E176-W180 HydrophobicContact CB-CZ3 4.22Å; E176-W180 HydrophobicContact CG-CE3 4.1Å; E176-W180 HydrophobicContact CG-CZ3 4.15Å; E176-W180 WeakPolarHBondContact OE2-CZ3 3.24Å; E176-Y181 HydrophobicContact CG-CE2 4.01Å; E176-Y181 PolarHBondContact OE1-OH 2.97Å; E176-R229 PolarHBondContact O-NH2 3.36Å; E176-H253 HydrophobicContact CB-CB 3.78Å; E176-H253 HydrophobicContact CG-CB 4.5Å; E176-H253 PolarHBondContact N-CD2 3.3Å; E176-H253 VanDerWaalsContact N-CD2 3.29Å; E176-H253 IonicContact OE1-ND1 2.67Å; E176-H253 WeakPolarHBondContact OE2-CB 3.37Å; E176-H253 IonicContact OE2-CG 3.07Å; E176-H253 IonicContact OE2-ND1 2.83Å
177Y96.3Very high95.3Very high34 Ų3437.5 Ų37.513%0.13318%0.179CC..  trans-58.5114.3-175.4177.5-133.5000111.5G179 W180 E221 L223 Y226Y177-G179 PolarHBondContact O-N 3.47Å; Y177-W180 AromaticContact CD1-CD1 3.82Å; Y177-W180 HydrophobicContact CD1-CD2 4.05Å; Y177-W180 AromaticContact CD1-CE2 3.87Å; Y177-W180 HydrophobicContact CD1-CG 4.04Å; Y177-W180 AromaticContact CD1-NE1 3.72Å; Y177-W180 PolarHBondContact O-N 3.29Å; Y177-E221 HydrophobicContact CD2-CG 4.3Å; Y177-E221 HydrophobicContact CE2-CB 4.29Å; Y177-E221 HydrophobicContact CE2-CG 4.13Å; Y177-E221 WeakPolarHBondContact CE2-O 3.42Å; Y177-E221 VanDerWaalsContact CZ-O 3.29Å; Y177-E221 PolarHBondContact OH-O 3.37Å; Y177-L223 HydrophobicContact CD1-CD2 3.95Å; Y177-L223 HydrophobicContact CD2-CD2 4.13Å; Y177-L223 HydrophobicContact CE1-CD2 3.75Å; Y177-L223 HydrophobicContact CE2-CD2 3.94Å; Y177-L223 HydrophobicContact CG-CD2 4.13Å; Y177-Y226 HydrophobicContact CD2-CD1 4.42Å; Y177-Y226 HydrophobicContact CD2-CG 4.01Å
178M95.3Very high95.2Very high0 Ų035.5 Ų35.50%017%0.17CC..G310 helixtrans-73.3-13.5-174.3-68.1-171.2-78.200113.5F175 E176 W180 Y181 L185 M214 K217 A219 E221F175-M178 HydrophobicContact CD1-CG 4.21Å; E176-M178 PolarHBondContact O-N 3.38Å; E176-M178 VanDerWaalsContact O-N 3.11Å; M178-W180 PolarHBondContact O-N 2.93Å; M178-Y181 PolarHBondContact O-N 2.77Å; M178-L185 HydrophobicContact CG-CD2 3.96Å; M178-L185 HydrophobicContact SD-CD2 3.67Å; M178-M214 HydrophobicContact CE-CE 3.77Å; M178-M214 HydrophobicContact CE-SD 3.96Å; M178-M214 HydrophobicContact CG-CE 3.98Å; M178-M214 HydrophobicContact SD-CB 4.15Å; M178-M214 HydrophobicContact SD-CE 3.37Å; M178-M214 WeakPolarHBondContact SD-CE 3.33Å; M178-M214 HydrophobicContact SD-SD 4.11Å; M178-K217 HydrophobicContact CE-CB 3.79Å; M178-A219 PolarHBondContact O-N 3.48Å; M178-E221 HydrophobicContact CB-CB 3.95Å; M178-E221 WeakPolarHBondContact CB-OE2 3.37Å; M178-E221 HydrophobicContact CE-CB 4.18Å; M178-E221 HydrophobicContact CE-CG 4.35Å; M178-E221 VanDerWaalsContact CE-OE1 3.23Å; M178-E221 WeakPolarHBondContact CE-OE1 3.22Å; M178-E221 PolarHBondContact N-OE2 3.45Å
179G92.6Very high95.2Very high16 Ų1636 Ų3617%0.16517%0.173CC..G310 helixtrans-64-19.6173.400000113.5Y177 Y181Y177-G179 PolarHBondContact O-N 3.47Å; G179-Y181 PolarHBondContact O-N 3.26Å
180W92.2Very high95.1Very high99 Ų9937.1 Ų37.138%0.37518%0.184SC..G310 helixtrans-72.6-15.8172.3-65.4-28.8000113.6E176 Y177 M178 P255 N278E176-W180 HydrophobicContact CB-CZ3 4.22Å; E176-W180 HydrophobicContact CG-CE3 4.1Å; E176-W180 HydrophobicContact CG-CZ3 4.15Å; E176-W180 WeakPolarHBondContact OE2-CZ3 3.24Å; Y177-W180 AromaticContact CD1-CD1 3.82Å; Y177-W180 HydrophobicContact CD1-CD2 4.05Å; Y177-W180 AromaticContact CD1-CE2 3.87Å; Y177-W180 HydrophobicContact CD1-CG 4.04Å; Y177-W180 AromaticContact CD1-NE1 3.72Å; Y177-W180 PolarHBondContact O-N 3.29Å; M178-W180 PolarHBondContact O-N 2.93Å; W180-P255 HydrophobicContact CH2-CG 3.56Å; W180-P255 HydrophobicContact CZ3-CG 3.97Å; W180-N278 PolarHBondContact NE1-OD1 2.95Å
181Y91.9Very high95Very high22 Ų2238.3 Ų38.39%0.08619%0.193CC..  trans-109.275.4-170.9-68.4-85.8000111.7D113 F175 E176 M178 G179 N183 G184 P186 A219D113-Y181 HydrophobicContact CB-CD1 4.47Å; D113-Y181 HydrophobicContact CB-CE1 4.22Å; F175-Y181 AromaticContact CE1-CD2 3.71Å; F175-Y181 HydrophobicContact CE1-CD2 3.71Å; F175-Y181 AromaticContact CE1-CE2 3.46Å; F175-Y181 HydrophobicContact CE1-CE2 3.46Å; F175-Y181 VanDerWaalsContact CE1-CE2 3.46Å; F175-Y181 HydrophobicContact CE1-CG 4.33Å; F175-Y181 AromaticContact CE1-CZ 3.9Å; F175-Y181 HydrophobicContact CE2-CE2 4.48Å; F175-Y181 HydrophobicContact CZ-CD2 4.05Å; F175-Y181 AromaticContact CZ-CE1 3.99Å; F175-Y181 HydrophobicContact CZ-CE1 3.99Å; F175-Y181 AromaticContact CZ-CE2 3.37Å; F175-Y181 HydrophobicContact CZ-CE2 3.37Å; F175-Y181 AromaticContact CZ-CZ 3.33Å; F175-Y181 WeakPolarHBondContact CZ-OH 3.3Å; E176-Y181 HydrophobicContact CG-CE2 4.01Å; E176-Y181 PolarHBondContact OE1-OH 2.97Å; M178-Y181 PolarHBondContact O-N 2.77Å; G179-Y181 PolarHBondContact O-N 3.26Å; Y181-N183 VanDerWaalsContact C-N 3.29Å; Y181-N183 PolarHBondContact O-N 3.1Å; Y181-G184 WeakPolarHBondContact CB-O 3.49Å; Y181-G184 PolarHBondContact O-N 3.31Å; Y181-P186 HydrophobicContact CD1-CG 3.9Å; Y181-P186 HydrophobicContact CE1-CG 3.57Å; Y181-A219 WeakPolarHBondContact O-CB 3.29Å
182R86.4Confident95Very high214 Ų21443.5 Ų43.581%0.80822%0.217SC*.THydrogen-bonded Turntrans-66.7-26.5-174.1-64.9-174.1-179.6178.40.1114.3G184R182-G184 VanDerWaalsContact C-N 3.3Å
183N88.9Confident94.9Very high158 Ų15847 Ų4785%0.84523%0.233SC*.THydrogen-bonded Turntrans-91.210.4-178.6-61.6-27.4000113.1Y181Y181-N183 VanDerWaalsContact C-N 3.29Å; Y181-N183 PolarHBondContact O-N 3.1Å
184G91.3Very high94.9Very high23 Ų2347 Ų4724%0.23723%0.233CC..  trans99178.1-173.100000112.4Y181 R182Y181-G184 WeakPolarHBondContact CB-O 3.49Å; Y181-G184 PolarHBondContact O-N 3.31Å; R182-G184 VanDerWaalsContact C-N 3.3Å
185L94.5Very high94.9Very high27 Ų2749.5 Ų49.514%0.14125%0.248CC..SBendtrans-67.6149-179.3-67.7174.1000111.6F175 M178 F188 I211 M214 K215 A218F175-L185 HydrophobicContact CD1-CD2 4.13Å; F175-L185 HydrophobicContact CE1-CD2 4.08Å; M178-L185 HydrophobicContact CG-CD2 3.96Å; M178-L185 HydrophobicContact SD-CD2 3.67Å; L185-F188 HydrophobicContact CB-CE2 4.32Å; L185-I211 HydrophobicContact CD1-CG2 4.5Å; L185-M214 HydrophobicContact CD1-CB 3.54Å; L185-K215 HydrophobicContact CD1-CG 3.91Å; L185-A218 HydrophobicContact CD2-CB 4.38Å; L185-A218 HydrophobicContact CG-CB 3.99Å
186P94.6Very high94.9Very high5 Ų553.2 Ų53.23%0.03228%0.279CS..  trans-55.9148.3171.3-17.825.9000112.1D113 D114 F175 Y181 F188D113-P186 HydrophobicContact CB-CB 3.86Å; D113-P186 HydrophobicContact CB-CG 3.98Å; D113-P186 WeakPolarHBondContact O-CG 3.24Å; D114-P186 HydrophobicContact CB-CB 3.83Å; F175-P186 HydrophobicContact CE1-CG 4.29Å; F175-P186 HydrophobicContact CE2-CG 4.33Å; F175-P186 HydrophobicContact CZ-CG 3.62Å; Y181-P186 HydrophobicContact CD1-CG 3.9Å; Y181-P186 HydrophobicContact CE1-CG 3.57Å; P186-F188 HydrophobicContact CB-CD1 4.06Å; P186-F188 HydrophobicContact CB-CE1 3.68Å; P186-F188 HydrophobicContact CB-CZ 3.95Å; P186-F188 HydrophobicContact CG-CE1 3.67Å; P186-F188 HydrophobicContact CG-CE2 4.46Å; P186-F188 HydrophobicContact CG-CZ 3.65Å; P186-F188 VanDerWaalsContact O-CD2 3.29Å; P186-F188 WeakPolarHBondContact O-CD2 3.45Å; P186-F188 PolarHBondContact O-N 2.9Å
187P94.3Very high94.9Very high47 Ų4756.4 Ų56.431%0.30529%0.294SS..  trans-74.972.4172.832.5-34.5000109.9R104 D110R104-P187 PolarHBondContact NH1-O 2.75Å; D110-P187 HydrophobicContact CB-CG 3.57Å; D110-P187 VanDerWaalsContact CG-CG 3.46Å; D110-P187 WeakPolarHBondContact OD1-CG 3.48Å
188F97.1Very high94.8Very high28 Ų2856.9 Ų56.912%0.12331%0.309CS..PPolyproline II helixtrans-58147.3177.9-53.7-64.9000111P146 A147 F175 L185 P186 I211P146-F188 HydrophobicContact CB-CB 4.08Å; P146-F188 HydrophobicContact CB-CD1 4.06Å; P146-F188 HydrophobicContact CB-CD2 4.07Å; P146-F188 HydrophobicContact CB-CG 3.81Å; P146-F188 HydrophobicContact CG-CD1 4.17Å; P146-F188 HydrophobicContact CG-CD2 3.92Å; P146-F188 HydrophobicContact CG-CE1 4.14Å; P146-F188 HydrophobicContact CG-CE2 3.88Å; P146-F188 HydrophobicContact CG-CG 4.05Å; P146-F188 HydrophobicContact CG-CZ 3.98Å; A147-F188 HydrophobicContact CB-CE1 4.26Å; F175-F188 HydrophobicContact CD1-CZ 4.09Å; F175-F188 AromaticContact CD2-CE1 3.94Å; F175-F188 HydrophobicContact CD2-CE1 3.94Å; F175-F188 AromaticContact CD2-CZ 3.61Å; F175-F188 HydrophobicContact CD2-CZ 3.61Å; F175-F188 AromaticContact CE1-CZ 3.94Å; F175-F188 HydrophobicContact CE1-CZ 3.94Å; F175-F188 AromaticContact CE2-CE1 3.59Å; F175-F188 HydrophobicContact CE2-CE1 3.59Å; F175-F188 AromaticContact CE2-CZ 3.47Å; F175-F188 HydrophobicContact CE2-CZ 3.47Å; F175-F188 VanDerWaalsContact CE2-CZ 3.47Å; F175-F188 AromaticContact CG-CZ 3.92Å; F175-F188 HydrophobicContact CG-CZ 3.92Å; F175-F188 HydrophobicContact CZ-CE1 4.04Å; F175-F188 AromaticContact CZ-CZ 3.62Å; F175-F188 HydrophobicContact CZ-CZ 3.62Å; L185-F188 HydrophobicContact CB-CE2 4.32Å; P186-F188 HydrophobicContact CB-CD1 4.06Å; P186-F188 HydrophobicContact CB-CE1 3.68Å; P186-F188 HydrophobicContact CB-CZ 3.95Å; P186-F188 HydrophobicContact CG-CE1 3.67Å; P186-F188 HydrophobicContact CG-CE2 4.46Å; P186-F188 HydrophobicContact CG-CZ 3.65Å; P186-F188 VanDerWaalsContact O-CD2 3.29Å; P186-F188 WeakPolarHBondContact O-CD2 3.45Å; P186-F188 PolarHBondContact O-N 2.9Å; F188-I211 HydrophobicContact CD2-CD1 3.64Å; F188-I211 HydrophobicContact CE2-CD1 3.96Å
189L97.3Very high94.9Very high11 Ų1158.3 Ų58.36%0.05832%0.315CS..PPolyproline II helixtrans-60.4146.1167.5-63.2177.7000110P102 L148 E193 M194P102-L189 HydrophobicContact CB-CD1 3.8Å; P102-L189 HydrophobicContact CB-CD2 4.45Å; P102-L189 HydrophobicContact CG-CD1 3.88Å; L148-L189 HydrophobicContact CD1-CD1 4.13Å; L189-E193 HydrophobicContact CB-CB 4.16Å; L189-E193 HydrophobicContact CD2-CB 4.18Å; L189-M194 HydrophobicContact CB-CE 3.96Å; L189-M194 HydrophobicContact CB-CG 3.78Å; L189-M194 HydrophobicContact CD1-CG 4.22Å; L189-M194 WeakPolarHBondContact O-CE 2.98Å
190T96.9Very high95.1Very high60 Ų6061.4 Ų61.437%0.36833%0.325SS..PPolyproline II helixtrans-70.9156166.561.20000110.5Q192 E193 M194T190-Q192 PolarHBondContact O-N 2.99Å; T190-E193 WeakPolarHBondContact CB-OE2 3.21Å; T190-E193 WeakPolarHBondContact CG2-OE2 3.42Å; T190-E193 PolarHBondContact N-OE2 3.22Å; T190-E193 PolarHBondContact O-N 3.04Å; T190-E193 VanDerWaalsContact O-N 3.13Å; T190-E193 WeakPolarHBondContact OG1-CB 3.5Å; T190-E193 VanDerWaalsContact OG1-CD 3.27Å; T190-E193 WeakPolarHBondContact OG1-CG 3.24Å; T190-E193 PolarHBondContact OG1-N 2.8Å; T190-E193 VanDerWaalsContact OG1-N 3.16Å; T190-E193 PolarHBondContact OG1-OE2 2.96Å; T190-M194 WeakPolarHBondContact O-CG 3.19Å; T190-M194 PolarHBondContact O-N 3.42Å
191P98Very high95.4Very high39 Ų3957.2 Ų57.225%0.25331%0.31SS..Hα-helixtrans-52.3-36.4172.4-29.237000113.4M194 V195 V201P191-M194 PolarHBondContact O-N 3.02Å; P191-V195 WeakPolarHBondContact O-CG2 3.25Å; P191-V195 PolarHBondContact O-N 3.32Å; P191-V201 HydrophobicContact CB-CG1 3.9Å
192Q97.6Very high95.7Very high108 Ų10858.1 Ų58.151%0.50532%0.315SS..Hα-helixtrans-66.8-45.9177.8-65.877.66.900111.7T190 M194 V195 A196 I203T190-Q192 PolarHBondContact O-N 2.99Å; Q192-M194 VanDerWaalsContact C-N 3.3Å; Q192-M194 PolarHBondContact O-N 3.28Å; Q192-V195 PolarHBondContact O-N 2.82Å; Q192-A196 WeakPolarHBondContact O-CB 3.49Å; Q192-A196 PolarHBondContact O-N 3.34Å; Q192-I203 HydrophobicContact CG-CG2 4.28Å
193E97.7Very high96.2Very high81 Ų8151.6 Ų51.638%0.37930%0.295SS..Hα-helixtrans-62-39.9174.3-72.6162.9145.400111L189 T190 V195 A196 Q197L189-E193 HydrophobicContact CB-CB 4.16Å; L189-E193 HydrophobicContact CD2-CB 4.18Å; T190-E193 WeakPolarHBondContact CB-OE2 3.21Å; T190-E193 WeakPolarHBondContact CG2-OE2 3.42Å; T190-E193 PolarHBondContact N-OE2 3.22Å; T190-E193 PolarHBondContact O-N 3.04Å; T190-E193 VanDerWaalsContact O-N 3.13Å; T190-E193 WeakPolarHBondContact OG1-CB 3.5Å; T190-E193 VanDerWaalsContact OG1-CD 3.27Å; T190-E193 WeakPolarHBondContact OG1-CG 3.24Å; T190-E193 PolarHBondContact OG1-N 2.8Å; T190-E193 VanDerWaalsContact OG1-N 3.16Å; T190-E193 PolarHBondContact OG1-OE2 2.96Å; E193-V195 PolarHBondContact O-N 3.45Å; E193-A196 PolarHBondContact O-N 3.28Å; E193-Q197 VanDerWaalsContact O-CG 3.25Å; E193-Q197 WeakPolarHBondContact O-CG 3.48Å; E193-Q197 PolarHBondContact O-N 3.32Å; E193-Q197 VanDerWaalsContact O-N 3.14Å
194M98Very high96.5Very high0 Ų050.7 Ų50.70%029%0.291CS..Hα-helixtrans-61.1-45176.2-68177-178.600112.2P146 V151 I170 L189 T190 P191 Q192 Q197 G198 Y199 V201P146-M194 WeakPolarHBondContact O-CE 3.49Å; V151-M194 HydrophobicContact CG1-SD 4.04Å; V151-M194 HydrophobicContact CG2-CE 3.69Å; V151-M194 HydrophobicContact CG2-SD 3.85Å; I170-M194 HydrophobicContact CD1-CE 4.28Å; I170-M194 HydrophobicContact CD1-SD 3.64Å; I170-M194 HydrophobicContact CG1-SD 3.79Å; L189-M194 HydrophobicContact CB-CE 3.96Å; L189-M194 HydrophobicContact CB-CG 3.78Å; L189-M194 HydrophobicContact CD1-CG 4.22Å; L189-M194 WeakPolarHBondContact O-CE 2.98Å; T190-M194 WeakPolarHBondContact O-CG 3.19Å; T190-M194 PolarHBondContact O-N 3.42Å; P191-M194 PolarHBondContact O-N 3.02Å; Q192-M194 VanDerWaalsContact C-N 3.3Å; Q192-M194 PolarHBondContact O-N 3.28Å; M194-Q197 PolarHBondContact O-N 2.87Å; M194-Q197 VanDerWaalsContact O-N 3.17Å; M194-G198 PolarHBondContact O-N 2.85Å; M194-Y199 HydrophobicContact CB-CD2 3.98Å; M194-Y199 HydrophobicContact CG-CD2 4.4Å; M194-Y199 WeakPolarHBondContact O-CB 3.41Å; M194-Y199 VanDerWaalsContact O-CD2 3.26Å; M194-Y199 WeakPolarHBondContact O-CD2 3.29Å; M194-Y199 PolarHBondContact O-N 2.93Å; M194-Y199 VanDerWaalsContact O-N 3.08Å; M194-V201 HydrophobicContact CB-CG2 3.92Å; M194-V201 HydrophobicContact SD-CG2 4.1Å
195V97.9Very high96.8Very high55 Ų5550.9 Ų50.933%0.33328%0.284SS..Hα-helixtrans-65.1-39.6176.3171.70000111.7P191 Q192 E193 Q197 G198 V201 I203P191-V195 WeakPolarHBondContact O-CG2 3.25Å; P191-V195 PolarHBondContact O-N 3.32Å; Q192-V195 PolarHBondContact O-N 2.82Å; E193-V195 PolarHBondContact O-N 3.45Å; V195-Q197 PolarHBondContact O-N 3.26Å; V195-Q197 VanDerWaalsContact O-N 3.16Å; V195-G198 PolarHBondContact O-N 2.91Å; V195-V201 HydrophobicContact CG2-CB 3.83Å; V195-I203 HydrophobicContact CB-CD1 4.08Å; V195-I203 HydrophobicContact CB-CG1 4.47Å; V195-I203 HydrophobicContact CG1-CD1 4.23Å; V195-I203 HydrophobicContact CG2-CD1 3.77Å; V195-I203 HydrophobicContact CG2-CG1 3.66Å
196A97.3Very high97Very high80 Ų8053 Ų5366%0.66131%0.306SS*.Hα-helixtrans-60.5-24.8175.300000112.7Q192 E193 G198Q192-A196 WeakPolarHBondContact O-CB 3.49Å; Q192-A196 PolarHBondContact O-N 3.34Å; E193-A196 PolarHBondContact O-N 3.28Å; A196-G198 VanDerWaalsContact C-N 3.34Å
197Q96.2Very high97.1Very high78 Ų7855 Ų5536%0.36432%0.319SS..THydrogen-bonded Turntrans-904.6174.7-60.7-62.6-54.100113.4P102 E193 M194 V195 Y199P102-Q197 HydrophobicContact CB-CG 3.82Å; E193-Q197 VanDerWaalsContact O-CG 3.25Å; E193-Q197 WeakPolarHBondContact O-CG 3.48Å; E193-Q197 PolarHBondContact O-N 3.32Å; E193-Q197 VanDerWaalsContact O-N 3.14Å; M194-Q197 PolarHBondContact O-N 2.87Å; M194-Q197 VanDerWaalsContact O-N 3.17Å; V195-Q197 PolarHBondContact O-N 3.26Å; V195-Q197 VanDerWaalsContact O-N 3.16Å; Q197-Y199 HydrophobicContact CB-CD2 4.08Å; Q197-Y199 HydrophobicContact CB-CE2 3.91Å
198G95.7Very high97.3Very high44 Ų4454.9 Ų54.945%0.45432%0.315SS..THydrogen-bonded Turntrans86.610.6176.900000115H155 M194 V195 A196H155-G198 PolarHBondContact CE1-O 3.23Å; M194-G198 PolarHBondContact O-N 2.85Å; V195-G198 PolarHBondContact O-N 2.91Å; A196-G198 VanDerWaalsContact C-N 3.34Å
199Y97.1Very high97.3Very high30 Ų3055.2 Ų55.212%0.11832%0.318CS..  trans-77135171.7-56.5-57.9000110.7L148 V151 Q152 H155 M194 Q197 V201L148-Y199 HydrophobicContact CD1-CE2 4.16Å; V151-Y199 HydrophobicContact CG1-CD1 4.22Å; V151-Y199 HydrophobicContact CG1-CD2 3.98Å; V151-Y199 HydrophobicContact CG1-CG 3.81Å; Q152-Y199 HydrophobicContact CG-CE1 4.02Å; Q152-Y199 WeakPolarHBondContact CG-OH 3.33Å; H155-Y199 HydrophobicContact CB-CD1 3.93Å; H155-Y199 AromaticContact CG-CD1 3.83Å; M194-Y199 HydrophobicContact CB-CD2 3.98Å; M194-Y199 HydrophobicContact CG-CD2 4.4Å; M194-Y199 WeakPolarHBondContact O-CB 3.41Å; M194-Y199 VanDerWaalsContact O-CD2 3.26Å; M194-Y199 WeakPolarHBondContact O-CD2 3.29Å; M194-Y199 PolarHBondContact O-N 2.93Å; M194-Y199 VanDerWaalsContact O-N 3.08Å; Q197-Y199 HydrophobicContact CB-CD2 4.08Å; Q197-Y199 HydrophobicContact CB-CE2 3.91Å; Y199-V201 PolarHBondContact O-N 3.25Å
200E96Very high97.3Very high81 Ų8157.2 Ų57.238%0.37933%0.33SS..  trans-77.362.5-177.7-62.4-68.9178.100111.7K167 I168K167-E200 CarbonylContact C-O 3.41Å; K167-E200 WeakPolarHBondContact CA-O 3.35Å; K167-E200 HydrophobicContact CD-CB 4.08Å; K167-E200 IonicContact NZ-OE2 2.61Å; K167-E200 PolarHBondContact NZ-OE2 3.32Å; I168-E200 PolarHBondContact N-O 3.41Å
201V98.3Very high97.2Very high10 Ų1057.1 Ų57.16%0.06133%0.327CS..BIsolated β-bridgetrans-92.2140.8-175.6169.70000111.8V151 I168 I170 P191 M194 V195 Y199 I203V151-V201 HydrophobicContact CG1-CG2 4.47Å; I168-V201 HydrophobicContact CB-CG2 4.21Å; I168-V201 WeakPolarHBondContact O-CA 3.44Å; I170-V201 HydrophobicContact CD1-CG1 4.49Å; I170-V201 HydrophobicContact CD1-CG2 4.16Å; I170-V201 HydrophobicContact CG1-CG1 3.78Å; I170-V201 HydrophobicContact CG1-CG2 4.31Å; P191-V201 HydrophobicContact CB-CG1 3.9Å; M194-V201 HydrophobicContact CB-CG2 3.92Å; M194-V201 HydrophobicContact SD-CG2 4.1Å; V195-V201 HydrophobicContact CG2-CB 3.83Å; Y199-V201 PolarHBondContact O-N 3.25Å; V201-I203 PolarHBondContact O-N 2.94Å
202E98.3Very high97Very high41 Ų4158.4 Ų58.419%0.19234%0.341CS..  trans-81.299.6172.2-165.6171120.800108.9K167 I168 R169 D204 Y205K167-E202 HydrophobicContact CB-CB 3.8Å; I168-E202 PolarHBondContact O-N 3.18Å; R169-E202 HydrophobicContact CG-CB 4.08Å; R169-E202 IonicContact CZ-OE1 2.75Å; R169-E202 IonicContact CZ-OE2 2.95Å; R169-E202 VanDerWaalsContact CZ-OE2 3.29Å; R169-E202 VanDerWaalsContact NE-CD 3.3Å; R169-E202 IonicContact NE-OE1 2.96Å; R169-E202 PolarHBondContact NE-OE1 3.42Å; R169-E202 IonicContact NE-OE2 2.95Å; R169-E202 PolarHBondContact NE-OE2 3.4Å; R169-E202 IonicContact NH2-OE1 3.74Å; R169-E202 IonicContact NH2-OE2 3.61Å; R169-E202 PolarHBondContact NH2-OE2 3.03Å; E202-D204 VanDerWaalsContact C-N 3.33Å; E202-D204 WeakPolarHBondContact CG-OD1 3.45Å; E202-D204 PolarHBondContact O-N 2.86Å; E202-Y205 WeakPolarHBondContact O-CB 3.31Å; E202-Y205 PolarHBondContact O-N 3.42Å
203I96.7Very high96.9Very high77 Ų7756.8 Ų56.840%0.39534%0.336SS..THydrogen-bonded Turntrans-67-34.3-172.4-63.7179.1000112.2Q192 V195 V201 Y205Q192-I203 HydrophobicContact CG-CG2 4.28Å; V195-I203 HydrophobicContact CB-CD1 4.08Å; V195-I203 HydrophobicContact CB-CG1 4.47Å; V195-I203 HydrophobicContact CG1-CD1 4.23Å; V195-I203 HydrophobicContact CG2-CD1 3.77Å; V195-I203 HydrophobicContact CG2-CG1 3.66Å; V201-I203 PolarHBondContact O-N 2.94Å; I203-Y205 VanDerWaalsContact C-N 3.32Å
204D95.8Very high96.7Very high140 Ų14053 Ų5375%0.74932%0.318SS*.THydrogen-bonded Turntrans-88.22.9-176.760.3-35.3000113.6E202 A206E202-D204 VanDerWaalsContact C-N 3.33Å; E202-D204 WeakPolarHBondContact CG-OD1 3.45Å; E202-D204 PolarHBondContact O-N 2.86Å; D204-A206 PolarHBondContact O-N 2.98Å
205Y97.9Very high96.5Very high26 Ų2659.7 Ų59.710%0.10235%0.347CS..  trans-60.3122174.4172.1-113.2000111.3Y143 R169 I170 E171 E202 I203 P207Y143-Y205 HydrophobicContact CD1-CE2 4.5Å; Y143-Y205 AromaticContact CE1-CE2 3.77Å; Y143-Y205 HydrophobicContact CE1-CE2 3.77Å; Y143-Y205 AromaticContact CE1-CZ 3.76Å; Y143-Y205 WeakPolarHBondContact CE1-OH 3.38Å; R169-Y205 HydrophobicContact CB-CD1 3.76Å; R169-Y205 HydrophobicContact CB-CD2 3.86Å; R169-Y205 HydrophobicContact CB-CE1 3.95Å; R169-Y205 HydrophobicContact CB-CE2 4.06Å; R169-Y205 HydrophobicContact CB-CG 3.69Å; R169-Y205 HydrophobicContact CG-CD1 4.36Å; R169-Y205 HydrophobicContact CG-CD2 3.7Å; R169-Y205 HydrophobicContact CG-CE2 4.22Å; R169-Y205 HydrophobicContact CG-CG 3.77Å; I170-Y205 VanDerWaalsContact O-CD1 3.32Å; I170-Y205 WeakPolarHBondContact O-CD1 3.43Å; I170-Y205 WeakPolarHBondContact O-CE1 3.42Å; E171-Y205 HydrophobicContact CB-CE1 4.28Å; E171-Y205 PolarHBondContact OE2-OH 2.9Å; E202-Y205 WeakPolarHBondContact O-CB 3.31Å; E202-Y205 PolarHBondContact O-N 3.42Å; I203-Y205 VanDerWaalsContact C-N 3.32Å; Y205-P207 HydrophobicContact CD1-CG 4.26Å; Y205-P207 HydrophobicContact CE1-CB 4.07Å; Y205-P207 HydrophobicContact CE1-CG 4.16Å; Y205-P207 VanDerWaalsContact O-CD 3.29Å; Y205-P207 WeakPolarHBondContact O-CD 3.46Å
206A97.5Very high96.2Very high71 Ų7162.1 Ų62.159%0.58736%0.362SS*.  trans-85.5111.4170.700000110.9D204 K240D204-A206 PolarHBondContact O-N 2.98Å; A206-K240 PolarHBondContact O-NZ 2.93Å
207P98.3Very high95.7Very high49 Ų4962.4 Ų62.432%0.31835%0.349SS..  trans-66.6149.4-179.1-18.933.3000112.9Y205 M209Y205-P207 HydrophobicContact CD1-CG 4.26Å; Y205-P207 HydrophobicContact CE1-CB 4.07Å; Y205-P207 HydrophobicContact CE1-CG 4.16Å; Y205-P207 VanDerWaalsContact O-CD 3.29Å; Y205-P207 WeakPolarHBondContact O-CD 3.46Å; P207-M209 VanDerWaalsContact C-N 3.3Å; P207-M209 WeakPolarHBondContact CB-O 3.31Å
208I98.1Very high95.3Very high43 Ų4359.4 Ų59.422%0.22134%0.337CS..SBendtrans-67.5-37.1170.6-64.7152.1000109.9E171 V233 E236 I237E171-I208 WeakPolarHBondContact OE2-CB 3.36Å; E171-I208 PolarHBondContact OE2-N 3.01Å; I208-V233 HydrophobicContact CD1-CG1 4.36Å; I208-V233 HydrophobicContact CG2-CG2 4.46Å; I208-E236 HydrophobicContact CD1-CB 3.64Å; I208-E236 HydrophobicContact CG1-CB 3.95Å; I208-E236 HydrophobicContact CG2-CB 3.86Å; I208-E236 HydrophobicContact CG2-CG 3.94Å; I208-I237 HydrophobicContact CD1-CD1 4.49Å; I208-I237 HydrophobicContact CD1-CG1 3.56Å
209M96.8Very high94.8Very high36 Ų3659.3 Ų59.318%0.17733%0.332CS..SBendtrans-132.3126.7174.1-167.9170.617000109.4E171 P172 P207 D213 M214 R229E171-M209 PolarHBondContact OE1-N 2.99Å; E171-M209 VanDerWaalsContact OE1-N 3.11Å; P172-M209 VanDerWaalsContact CB-O 3.29Å; P172-M209 WeakPolarHBondContact CB-O 3.07Å; P172-M209 VanDerWaalsContact CD-O 3.24Å; P172-M209 WeakPolarHBondContact CD-O 3.46Å; P172-M209 VanDerWaalsContact CG-O 3.3Å; P172-M209 WeakPolarHBondContact CG-O 3.42Å; P207-M209 VanDerWaalsContact C-N 3.3Å; P207-M209 WeakPolarHBondContact CB-O 3.31Å; M209-D213 HydrophobicContact CE-CB 4.01Å; M209-D213 HydrophobicContact CG-CB 3.71Å; M209-M214 HydrophobicContact CE-CB 4.33Å; M209-M214 HydrophobicContact CE-CG 3.74Å; M209-M214 HydrophobicContact CE-SD 3.15Å; M209-M214 WeakPolarHBondContact CE-SD 3.48Å; M209-M214 HydrophobicContact CG-CG 4.2Å; M209-M214 HydrophobicContact CG-SD 4.15Å; M209-M214 HydrophobicContact SD-CG 4.32Å; M209-M214 HydrophobicContact SD-SD 3.53Å; M209-R229 WeakPolarHBondContact SD-CD 3.35Å; M209-R229 HydrophobicContact SD-CG 3.8Å
210T96.8Very high94.5Very high53 Ų5365.9 Ų65.933%0.32536%0.361SS..  trans-85.3164.1-178.3700000111.5A212 D213 M214T210-A212 PolarHBondContact O-N 3.25Å; T210-A212 PolarHBondContact OG1-N 2.74Å; T210-D213 WeakPolarHBondContact CB-OD2 3.17Å; T210-D213 PolarHBondContact N-OD2 3.04Å; T210-D213 WeakPolarHBondContact O-CB 3.47Å; T210-D213 PolarHBondContact O-N 3.34Å; T210-D213 PolarHBondContact OG1-N 3.2Å; T210-D213 VanDerWaalsContact OG1-N 3.12Å; T210-D213 PolarHBondContact OG1-OD2 3.06Å; T210-M214 VanDerWaalsContact O-CG 3.31Å; T210-M214 WeakPolarHBondContact O-CG 3.36Å; T210-M214 PolarHBondContact O-N 2.91Å
211I95.6Very high94.5Very high58 Ų5862.3 Ų62.330%0.29734%0.344SS..Hα-helixtrans-58.6-33.6170-64.6-69.9000111.2P146 P172 L185 F188 M214 K215P146-I211 HydrophobicContact CG-CD1 4.35Å; P172-I211 HydrophobicContact CB-CD1 3.74Å; P172-I211 HydrophobicContact CB-CG1 4.19Å; P172-I211 HydrophobicContact CG-CD1 3.8Å; P172-I211 HydrophobicContact CG-CG1 3.83Å; L185-I211 HydrophobicContact CD1-CG2 4.5Å; F188-I211 HydrophobicContact CD2-CD1 3.64Å; F188-I211 HydrophobicContact CE2-CD1 3.96Å; I211-M214 PolarHBondContact O-N 3.04Å; I211-K215 WeakPolarHBondContact O-CG 3.48Å; I211-K215 PolarHBondContact O-N 3.46Å
212A94.6Very high94.3Very high66 Ų6665 Ų6555%0.54536%0.361SS..Hα-helixtrans-64.6-43.5176.500000111.4T210 M214 K215T210-A212 PolarHBondContact O-N 3.25Å; T210-A212 PolarHBondContact OG1-N 2.74Å; A212-M214 VanDerWaalsContact C-N 3.32Å; A212-M214 PolarHBondContact O-N 3.22Å; A212-K215 PolarHBondContact O-N 3.41Å
213D94.1Very high94.2Very high73 Ų7364.2 Ų64.239%0.3936%0.358SS..Hα-helixtrans-60.6-44.2174.6-57.5-46.7000110.9M209 T210 K215 T216M209-D213 HydrophobicContact CE-CB 4.01Å; M209-D213 HydrophobicContact CG-CB 3.71Å; T210-D213 WeakPolarHBondContact CB-OD2 3.17Å; T210-D213 PolarHBondContact N-OD2 3.04Å; T210-D213 WeakPolarHBondContact O-CB 3.47Å; T210-D213 PolarHBondContact O-N 3.34Å; T210-D213 PolarHBondContact OG1-N 3.2Å; T210-D213 VanDerWaalsContact OG1-N 3.12Å; T210-D213 PolarHBondContact OG1-OD2 3.06Å; D213-K215 VanDerWaalsContact C-N 3.34Å; D213-K215 PolarHBondContact O-N 2.9Å; D213-T216 WeakPolarHBondContact O-CB 3.5Å; D213-T216 PolarHBondContact O-N 3.43Å; D213-T216 PolarHBondContact O-OG1 3.39Å
214M94.7Very high94.1Very high2 Ų262.8 Ų62.81%0.0136%0.358CS..Hα-helixtrans-61.6-39.6179.5-66.9-72.5-74.300112.2P172 F175 M178 L185 M209 T210 I211 A212 T216 K217 A218P172-M214 HydrophobicContact CB-CG 4Å; P172-M214 WeakPolarHBondContact O-CE 3.23Å; F175-M214 HydrophobicContact CB-CE 3.86Å; F175-M214 HydrophobicContact CD1-CE 4.42Å; M178-M214 HydrophobicContact CE-CE 3.77Å; M178-M214 HydrophobicContact CE-SD 3.96Å; M178-M214 HydrophobicContact CG-CE 3.98Å; M178-M214 HydrophobicContact SD-CB 4.15Å; M178-M214 HydrophobicContact SD-CE 3.37Å; M178-M214 WeakPolarHBondContact SD-CE 3.33Å; M178-M214 HydrophobicContact SD-SD 4.11Å; L185-M214 HydrophobicContact CD1-CB 3.54Å; M209-M214 HydrophobicContact CE-CB 4.33Å; M209-M214 HydrophobicContact CE-CG 3.74Å; M209-M214 HydrophobicContact CE-SD 3.15Å; M209-M214 WeakPolarHBondContact CE-SD 3.48Å; M209-M214 HydrophobicContact CG-CG 4.2Å; M209-M214 HydrophobicContact CG-SD 4.15Å; M209-M214 HydrophobicContact SD-CG 4.32Å; M209-M214 HydrophobicContact SD-SD 3.53Å; T210-M214 VanDerWaalsContact O-CG 3.31Å; T210-M214 WeakPolarHBondContact O-CG 3.36Å; T210-M214 PolarHBondContact O-N 2.91Å; I211-M214 PolarHBondContact O-N 3.04Å; A212-M214 VanDerWaalsContact C-N 3.32Å; A212-M214 PolarHBondContact O-N 3.22Å; M214-T216 PolarHBondContact O-N 3.47Å; M214-T216 VanDerWaalsContact O-N 3.16Å; M214-K217 PolarHBondContact O-N 2.88Å; M214-K217 VanDerWaalsContact O-N 3.07Å; M214-A218 PolarHBondContact O-N 3.29Å; M214-A218 VanDerWaalsContact O-N 3.08Å
215K93.1Very high94.1Very high141 Ų14159.1 Ų59.161%0.61334%0.336SS*.Hα-helixtrans-58.6-28.4178.8-78.6178177.7-179.10113.1L185 I211 A212 D213 K217 A218L185-K215 HydrophobicContact CD1-CG 3.91Å; I211-K215 WeakPolarHBondContact O-CG 3.48Å; I211-K215 PolarHBondContact O-N 3.46Å; A212-K215 PolarHBondContact O-N 3.41Å; D213-K215 VanDerWaalsContact C-N 3.34Å; D213-K215 PolarHBondContact O-N 2.9Å; K215-K217 PolarHBondContact O-N 3.17Å; K215-A218 PolarHBondContact O-N 2.88Å
216T90.7Very high94Very high105 Ų10557.9 Ų57.964%0.64433%0.331SS*.THydrogen-bonded Turntrans-66.4-22.6178.971.60000113.5D213 M214D213-T216 WeakPolarHBondContact O-CB 3.5Å; D213-T216 PolarHBondContact O-N 3.43Å; D213-T216 PolarHBondContact O-OG1 3.39Å; M214-T216 PolarHBondContact O-N 3.47Å; M214-T216 VanDerWaalsContact O-N 3.16Å
217K88Confident93.9Very high87 Ų8755 Ų5538%0.37831%0.305SS..THydrogen-bonded Turntrans-116.5-1.6-178.9-67.3-69.9-174.9167.10113.4M178 M214 K215 A219 K220 E221 E225M178-K217 HydrophobicContact CE-CB 3.79Å; M214-K217 PolarHBondContact O-N 2.88Å; M214-K217 VanDerWaalsContact O-N 3.07Å; K215-K217 PolarHBondContact O-N 3.17Å; K217-A219 PolarHBondContact O-N 3.01Å; K217-K220 PolarHBondContact O-N 2.91Å; K217-E221 PolarHBondContact O-N 3.17Å; K217-E225 IonicContact NZ-OE1 2.7Å; K217-E225 PolarHBondContact NZ-OE1 3.4Å
218A87.4Confident93.8Very high15 Ų1556.5 Ų56.512%0.12431%0.311CS..THydrogen-bonded Turntrans-53.6139.9176.800000111L185 M214 K215 K220L185-A218 HydrophobicContact CD2-CB 4.38Å; L185-A218 HydrophobicContact CG-CB 3.99Å; M214-A218 PolarHBondContact O-N 3.29Å; M214-A218 VanDerWaalsContact O-N 3.08Å; K215-A218 PolarHBondContact O-N 2.88Å; A218-K220 PolarHBondContact O-N 3.38Å
219A85.2Confident93.7Very high42 Ų4255.4 Ų55.435%0.34730%0.304SS..THydrogen-bonded Turntrans61.5-10.8-174.200000117M178 Y181 K217M178-A219 PolarHBondContact O-N 3.48Å; Y181-A219 WeakPolarHBondContact O-CB 3.29Å; K217-A219 PolarHBondContact O-N 3.01Å
220K91.1Very high93.7Very high167 Ų16753.8 Ų53.873%0.72630%0.296SS*.THydrogen-bonded Turntrans-119.1-9.3-172.7-62.5179.4-176.1176.50114K217 A218 T222K217-K220 PolarHBondContact O-N 2.91Å; A218-K220 PolarHBondContact O-N 3.38Å; K220-T222 PolarHBondContact O-N 3.38Å
221E95.3Very high93.7Very high6 Ų651.5 Ų51.53%0.02828%0.282CS..  trans-55.3127.1176.6-176.8172.9-114.300110.2Y177 M178 K217 E225 R229Y177-E221 HydrophobicContact CD2-CG 4.3Å; Y177-E221 HydrophobicContact CE2-CB 4.29Å; Y177-E221 HydrophobicContact CE2-CG 4.13Å; Y177-E221 WeakPolarHBondContact CE2-O 3.42Å; Y177-E221 VanDerWaalsContact CZ-O 3.29Å; Y177-E221 PolarHBondContact OH-O 3.37Å; M178-E221 HydrophobicContact CB-CB 3.95Å; M178-E221 WeakPolarHBondContact CB-OE2 3.37Å; M178-E221 HydrophobicContact CE-CB 4.18Å; M178-E221 HydrophobicContact CE-CG 4.35Å; M178-E221 VanDerWaalsContact CE-OE1 3.23Å; M178-E221 WeakPolarHBondContact CE-OE1 3.22Å; M178-E221 PolarHBondContact N-OE2 3.45Å; K217-E221 PolarHBondContact O-N 3.17Å; E221-E225 HydrophobicContact CG-CB 4.07Å; E221-R229 IonicContact OE1-CZ 3.33Å; E221-R229 IonicContact OE1-NE 2.72Å; E221-R229 PolarHBondContact OE1-NE 3.14Å; E221-R229 IonicContact OE1-NH2 3.1Å; E221-R229 PolarHBondContact OE1-NH2 3.48Å; E221-R229 VanDerWaalsContact OE1-NH2 3.1Å; E221-R229 IonicContact OE2-CZ 3.86Å; E221-R229 IonicContact OE2-NE 3.98Å; E221-R229 IonicContact OE2-NH2 2.88Å; E221-R229 PolarHBondContact OE2-NH2 3.46Å
222T94.8Very high93.8Very high68 Ų6855.4 Ų55.442%0.41730%0.297SS..  trans-82.5161.4169.962.10000110.7K220 A224 E225 Y226K220-T222 PolarHBondContact O-N 3.38Å; T222-A224 VanDerWaalsContact C-N 3.25Å; T222-A224 PolarHBondContact O-N 3.37Å; T222-E225 PolarHBondContact N-OE2 2.92Å; T222-E225 PolarHBondContact O-N 3.33Å; T222-E225 WeakPolarHBondContact OG1-CB 3.43Å; T222-E225 VanDerWaalsContact OG1-CG 3.23Å; T222-E225 WeakPolarHBondContact OG1-CG 3.27Å; T222-E225 PolarHBondContact OG1-N 3.14Å; T222-E225 PolarHBondContact OG1-OE2 3.23Å; T222-Y226 PolarHBondContact O-N 2.69Å
223L95Very high93.9Very high23 Ų2352.3 Ų52.312%0.1227%0.272CS..Hα-helixtrans-58.4-38.3174.8-69-179.6000112.3Y177 Y226 Y227 V271 E274 M277Y177-L223 HydrophobicContact CD1-CD2 3.95Å; Y177-L223 HydrophobicContact CD2-CD2 4.13Å; Y177-L223 HydrophobicContact CE1-CD2 3.75Å; Y177-L223 HydrophobicContact CE2-CD2 3.94Å; Y177-L223 HydrophobicContact CG-CD2 4.13Å; L223-Y226 PolarHBondContact O-N 3.36Å; L223-Y227 VanDerWaalsContact O-CD2 3.27Å; L223-Y227 WeakPolarHBondContact O-CD2 3.46Å; L223-Y227 PolarHBondContact O-N 2.96Å; L223-Y227 VanDerWaalsContact O-N 3.14Å; L223-V271 HydrophobicContact CB-CG2 4.31Å; L223-E274 HydrophobicContact CD1-CG 3.86Å; L223-M277 HydrophobicContact CD1-CG 3.95Å; L223-M277 HydrophobicContact CD2-CB 4.36Å; L223-M277 HydrophobicContact CD2-CE 3.89Å; L223-M277 HydrophobicContact CD2-CG 3.72Å; L223-M277 HydrophobicContact CD2-SD 4.36Å; L223-M277 HydrophobicContact CG-CG 4.48Å
224A94.7Very high94.1Very high47 Ų4748.9 Ų48.939%0.38825%0.253SS..Hα-helixtrans-60.7-49.4175.600000111.9T222 Y226 Y227 D228T222-A224 VanDerWaalsContact C-N 3.25Å; T222-A224 PolarHBondContact O-N 3.37Å; A224-Y226 VanDerWaalsContact C-N 3.3Å; A224-Y226 PolarHBondContact O-N 2.85Å; A224-Y227 PolarHBondContact O-N 3.42Å; A224-D228 PolarHBondContact O-N 3.43Å
225E95.5Very high94.3Very high63 Ų6352 Ų5229%0.29427%0.268SS..Hα-helixtrans-62.4-36.4178.2-71.3168.5131.900112.4K217 E221 T222 D228 R229K217-E225 IonicContact NZ-OE1 2.7Å; K217-E225 PolarHBondContact NZ-OE1 3.4Å; E221-E225 HydrophobicContact CG-CB 4.07Å; T222-E225 PolarHBondContact N-OE2 2.92Å; T222-E225 PolarHBondContact O-N 3.33Å; T222-E225 WeakPolarHBondContact OG1-CB 3.43Å; T222-E225 VanDerWaalsContact OG1-CG 3.23Å; T222-E225 WeakPolarHBondContact OG1-CG 3.27Å; T222-E225 PolarHBondContact OG1-N 3.14Å; T222-E225 PolarHBondContact OG1-OE2 3.23Å; E225-D228 PolarHBondContact O-N 2.96Å; E225-R229 VanDerWaalsContact O-CB 3.29Å; E225-R229 WeakPolarHBondContact O-CB 3.19Å; E225-R229 PolarHBondContact O-N 2.94Å
226Y96.4Very high94.5Very high1 Ų149.1 Ų49.10%0.00426%0.256CS..Hα-helixtrans-60.6-48.1174.6172.3-121.7000112.4Y177 T222 L223 A224 D228 R229 S230 P255 T256 S259 M277Y177-Y226 HydrophobicContact CD2-CD1 4.42Å; Y177-Y226 HydrophobicContact CD2-CG 4.01Å; T222-Y226 PolarHBondContact O-N 2.69Å; L223-Y226 PolarHBondContact O-N 3.36Å; A224-Y226 VanDerWaalsContact C-N 3.3Å; A224-Y226 PolarHBondContact O-N 2.85Å; Y226-D228 VanDerWaalsContact C-N 3.34Å; Y226-R229 PolarHBondContact O-N 3.37Å; Y226-S230 WeakPolarHBondContact O-CB 3.17Å; Y226-S230 PolarHBondContact O-N 2.98Å; Y226-P255 HydrophobicContact CE1-CB 3.81Å; Y226-P255 WeakPolarHBondContact OH-CB 3.3Å; Y226-T256 PolarHBondContact OH-N 3.09Å; Y226-S259 PolarHBondContact OH-OG 2.88Å; Y226-M277 HydrophobicContact CD1-CE 3.93Å; Y226-M277 HydrophobicContact CE1-CE 3.87Å
227Y96.1Very high94.9Very high9 Ų944.1 Ų44.14%0.03523%0.226CC..Hα-helixtrans-66.5-37.9178.4-86.3-104.6000111.6L223 A224 S231 D258 S259 V271 P272 M277L223-Y227 VanDerWaalsContact O-CD2 3.27Å; L223-Y227 WeakPolarHBondContact O-CD2 3.46Å; L223-Y227 PolarHBondContact O-N 2.96Å; L223-Y227 VanDerWaalsContact O-N 3.14Å; A224-Y227 PolarHBondContact O-N 3.42Å; Y227-S231 VanDerWaalsContact O-CB 3.24Å; Y227-S231 WeakPolarHBondContact O-CB 3.39Å; Y227-S231 PolarHBondContact O-N 2.9Å; Y227-D258 WeakPolarHBondContact CE1-OD2 3.31Å; Y227-D258 PolarHBondContact OH-OD2 2.69Å; Y227-D258 VanDerWaalsContact OH-OD2 3.08Å; Y227-S259 VanDerWaalsContact CE1-CA 3.45Å; Y227-V271 HydrophobicContact CD1-CG1 4.35Å; Y227-V271 HydrophobicContact CD2-CB 4.3Å; Y227-V271 HydrophobicContact CD2-CG1 3.97Å; Y227-V271 HydrophobicContact CG-CB 4.49Å; Y227-V271 HydrophobicContact CG-CG1 3.79Å; Y227-P272 HydrophobicContact CE1-CG 4.37Å; Y227-P272 HydrophobicContact CE2-CG 4.45Å; Y227-P272 VanDerWaalsContact OH-CD 3.28Å; Y227-P272 WeakPolarHBondContact OH-CD 3.46Å; Y227-P272 WeakPolarHBondContact OH-CG 3.42Å; Y227-M277 HydrophobicContact CE2-CE 4Å; Y227-M277 HydrophobicContact CE2-SD 3.63Å; Y227-M277 PolarHBondContact OH-SD 2.72Å
228D95.5Very high95.4Very high82 Ų8240.3 Ų40.344%0.43921%0.209SC..Hα-helixtrans-65.9-44.8175.3-78.6-22.9000112.2A224 E225 Y226 S231 K232 K263A224-D228 PolarHBondContact O-N 3.43Å; E225-D228 PolarHBondContact O-N 2.96Å; Y226-D228 VanDerWaalsContact C-N 3.34Å; D228-S231 PolarHBondContact O-N 3.44Å; D228-K232 VanDerWaalsContact O-CB 3.31Å; D228-K232 WeakPolarHBondContact O-CB 3.24Å; D228-K232 PolarHBondContact O-N 3.22Å; D228-K263 IonicContact OD1-NZ 3.27Å; D228-K263 PolarHBondContact OD1-NZ 3.27Å
229R96.7Very high95.8Very high19 Ų1944.6 Ų44.67%0.07223%0.23CC..Hα-helixtrans-58.9-52.8174.1172.8174.958.191.2-16.8110.9G173 F175 E176 M209 E221 E225 Y226 S231 K232 V233G173-R229 PolarHBondContact O-NH1 3.2Å; F175-R229 PolarHBondContact O-NH1 3.16Å; F175-R229 PolarHBondContact O-NH2 3.31Å; E176-R229 PolarHBondContact O-NH2 3.36Å; M209-R229 WeakPolarHBondContact SD-CD 3.35Å; M209-R229 HydrophobicContact SD-CG 3.8Å; E221-R229 IonicContact OE1-CZ 3.33Å; E221-R229 IonicContact OE1-NE 2.72Å; E221-R229 PolarHBondContact OE1-NE 3.14Å; E221-R229 IonicContact OE1-NH2 3.1Å; E221-R229 PolarHBondContact OE1-NH2 3.48Å; E221-R229 VanDerWaalsContact OE1-NH2 3.1Å; E221-R229 IonicContact OE2-CZ 3.86Å; E221-R229 IonicContact OE2-NE 3.98Å; E221-R229 IonicContact OE2-NH2 2.88Å; E221-R229 PolarHBondContact OE2-NH2 3.46Å; E225-R229 VanDerWaalsContact O-CB 3.29Å; E225-R229 WeakPolarHBondContact O-CB 3.19Å; E225-R229 PolarHBondContact O-N 2.94Å; Y226-R229 PolarHBondContact O-N 3.37Å; R229-S231 VanDerWaalsContact C-N 3.29Å; R229-S231 PolarHBondContact O-N 3.38Å; R229-K232 PolarHBondContact O-N 3.01Å; R229-V233 HydrophobicContact CG-CG2 4.4Å; R229-V233 VanDerWaalsContact O-CG2 3.29Å; R229-V233 WeakPolarHBondContact O-CG2 3.31Å; R229-V233 PolarHBondContact O-N 3.34Å
230S97.1Very high96.4Very high2 Ų247 Ų471%0.01423%0.232CC..Hα-helixtrans-59.5-42.6-178.8-175.20000111.2Y226 I234 S259 A260Y226-S230 WeakPolarHBondContact O-CB 3.17Å; Y226-S230 PolarHBondContact O-N 2.98Å; S230-I234 WeakPolarHBondContact O-CG1 3.29Å; S230-I234 PolarHBondContact O-N 3.5Å; S230-S259 VanDerWaalsContact CB-OG 3.24Å; S230-S259 WeakPolarHBondContact CB-OG 3.01Å; S230-S259 PolarHBondContact OG-OG 2.85Å; S230-A260 PolarHBondContact OG-N 3.23Å
231S96Very high96.7Very high6 Ų640.2 Ų40.24%0.04220%0.203CC..Hα-helixtrans-63.9-48.3175.9-179.10000111.7Y227 D228 R229 V233 I234 H235 K263Y227-S231 VanDerWaalsContact O-CB 3.24Å; Y227-S231 WeakPolarHBondContact O-CB 3.39Å; Y227-S231 PolarHBondContact O-N 2.9Å; D228-S231 PolarHBondContact O-N 3.44Å; R229-S231 VanDerWaalsContact C-N 3.29Å; R229-S231 PolarHBondContact O-N 3.38Å; S231-V233 PolarHBondContact O-N 3.26Å; S231-I234 PolarHBondContact O-N 3.33Å; S231-H235 PolarHBondContact O-N 3.29Å; S231-H235 PolarHBondContact O-ND1 2.88Å; S231-H235 PolarHBondContact OG-CE1 2.95Å; S231-H235 VanDerWaalsContact OG-CE1 3.3Å; S231-H235 PolarHBondContact OG-ND1 3.26Å; S231-K263 VanDerWaalsContact OG-CD 3.24Å; S231-K263 WeakPolarHBondContact OG-CD 3.47Å; S231-K263 WeakPolarHBondContact OG-CG 3.23Å
232K97.1Very high96.7Very high139 Ų13943.5 Ų43.560%0.60423%0.225SC*.Hα-helixtrans-56.2-50.5-179.9178.1-177.9174.1-1760110.9D228 R229 I234 H235 E236D228-K232 VanDerWaalsContact O-CB 3.31Å; D228-K232 WeakPolarHBondContact O-CB 3.24Å; D228-K232 PolarHBondContact O-N 3.22Å; R229-K232 PolarHBondContact O-N 3.01Å; K232-I234 VanDerWaalsContact C-N 3.29Å; K232-I234 PolarHBondContact O-N 2.87Å; K232-H235 PolarHBondContact O-N 3.26Å; K232-E236 HydrophobicContact CG-CG 4.5Å; K232-E236 WeakPolarHBondContact O-CG 3.36Å; K232-E236 PolarHBondContact O-N 3.35Å
233V98.4Very high96.7Very high2 Ų246.5 Ų46.51%0.01224%0.239CC..Hα-helixtrans-58.3-42.9-179.5171.20000111.3E171 L174 I208 R229 S231 E236 I237E171-V233 HydrophobicContact CG-CG1 3.6Å; L174-V233 HydrophobicContact CD2-CG1 3.81Å; L174-V233 HydrophobicContact CG-CG1 4.06Å; I208-V233 HydrophobicContact CD1-CG1 4.36Å; I208-V233 HydrophobicContact CG2-CG2 4.46Å; R229-V233 HydrophobicContact CG-CG2 4.4Å; R229-V233 VanDerWaalsContact O-CG2 3.29Å; R229-V233 WeakPolarHBondContact O-CG2 3.31Å; R229-V233 PolarHBondContact O-N 3.34Å; S231-V233 PolarHBondContact O-N 3.26Å; V233-E236 PolarHBondContact O-N 2.97Å; V233-I237 HydrophobicContact CG1-CD1 3.9Å; V233-I237 HydrophobicContact CG1-CG1 4.47Å; V233-I237 VanDerWaalsContact O-CG1 3.29Å; V233-I237 WeakPolarHBondContact O-CG1 3.41Å; V233-I237 PolarHBondContact O-N 3.3Å
234I98.2Very high96.7Very high0 Ų048 Ų480%025%0.25CC..Hα-helixtrans-68.4-41.1-179.2-67.9-76.5000111.9L63 L65 L174 S230 S231 K232 E236 I237 I238 V250 A260 L264L63-I234 HydrophobicContact CD2-CG2 3.94Å; L65-I234 HydrophobicContact CD2-CD1 4.04Å; L174-I234 HydrophobicContact CD2-CD1 4.02Å; S230-I234 WeakPolarHBondContact O-CG1 3.29Å; S230-I234 PolarHBondContact O-N 3.5Å; S231-I234 PolarHBondContact O-N 3.33Å; K232-I234 VanDerWaalsContact C-N 3.29Å; K232-I234 PolarHBondContact O-N 2.87Å; I234-E236 VanDerWaalsContact C-N 3.34Å; I234-E236 PolarHBondContact O-N 3.45Å; I234-I237 HydrophobicContact CD1-CD1 4.48Å; I234-I237 PolarHBondContact O-N 3.27Å; I234-I238 HydrophobicContact CG2-CD1 3.81Å; I234-I238 WeakPolarHBondContact O-CB 3.29Å; I234-I238 WeakPolarHBondContact O-CD1 3.42Å; I234-I238 WeakPolarHBondContact O-CG1 3.4Å; I234-I238 PolarHBondContact O-N 3.27Å; I234-V250 HydrophobicContact CD1-CG1 4.08Å; I234-V250 HydrophobicContact CD1-CG2 4.12Å; I234-A260 HydrophobicContact CD1-CB 3.77Å; I234-A260 HydrophobicContact CG1-CB 3.56Å; I234-L264 HydrophobicContact CG2-CD1 3.65Å; I234-L264 HydrophobicContact CG2-CG 4.34Å
235H97.4Very high96.7Very high68 Ų6851.3 Ų51.332%0.31527%0.267SS..Hα-helixtrans-63.3-41.9175.2-73.274.7000111.3S231 K232 I238 N239S231-H235 PolarHBondContact O-N 3.29Å; S231-H235 PolarHBondContact O-ND1 2.88Å; S231-H235 PolarHBondContact OG-CE1 2.95Å; S231-H235 VanDerWaalsContact OG-CE1 3.3Å; S231-H235 PolarHBondContact OG-ND1 3.26Å; K232-H235 PolarHBondContact O-N 3.26Å; H235-I238 PolarHBondContact O-N 2.81Å; H235-N239 WeakPolarHBondContact O-CB 3.5Å; H235-N239 PolarHBondContact O-N 3.34Å; H235-N239 PolarHBondContact O-ND2 2.87Å
236E98.3Very high96.8Very high81 Ų8148.7 Ų48.738%0.37926%0.255SS..Hα-helixtrans-64.4-41.4175.5-69.7-61153.900112.3I208 K232 V233 I234 I238 N239 K240I208-E236 HydrophobicContact CD1-CB 3.64Å; I208-E236 HydrophobicContact CG1-CB 3.95Å; I208-E236 HydrophobicContact CG2-CB 3.86Å; I208-E236 HydrophobicContact CG2-CG 3.94Å; K232-E236 HydrophobicContact CG-CG 4.5Å; K232-E236 WeakPolarHBondContact O-CG 3.36Å; K232-E236 PolarHBondContact O-N 3.35Å; V233-E236 PolarHBondContact O-N 2.97Å; I234-E236 VanDerWaalsContact C-N 3.34Å; I234-E236 PolarHBondContact O-N 3.45Å; E236-I238 VanDerWaalsContact C-N 3.33Å; E236-I238 PolarHBondContact O-N 3.2Å; E236-N239 PolarHBondContact O-N 2.88Å; E236-K240 WeakPolarHBondContact O-CG 3.36Å; E236-K240 PolarHBondContact O-N 3.08Å
237I98.6Very high96.9Very high0 Ų049.6 Ų49.60%026%0.26CS..Hα-helixtrans-57-48.6172.4-74.4169.1000110.3Y143 L174 I208 V233 I234 N239 K240 H241 I248Y143-I237 HydrophobicContact CD1-CD1 3.82Å; Y143-I237 HydrophobicContact CD1-CG1 3.87Å; Y143-I237 HydrophobicContact CD2-CD1 4.27Å; Y143-I237 HydrophobicContact CD2-CG1 4.37Å; Y143-I237 HydrophobicContact CD2-CG2 3.66Å; Y143-I237 HydrophobicContact CE1-CD1 4.41Å; Y143-I237 HydrophobicContact CE1-CG1 3.95Å; Y143-I237 HydrophobicContact CE2-CG1 4.44Å; Y143-I237 HydrophobicContact CE2-CG2 3.54Å; Y143-I237 HydrophobicContact CG-CD1 3.74Å; Y143-I237 HydrophobicContact CG-CG1 4.09Å; Y143-I237 HydrophobicContact CG-CG2 4.22Å; L174-I237 HydrophobicContact CD1-CD1 4.37Å; L174-I237 HydrophobicContact CD2-CD1 4.38Å; I208-I237 HydrophobicContact CD1-CD1 4.49Å; I208-I237 HydrophobicContact CD1-CG1 3.56Å; V233-I237 HydrophobicContact CG1-CD1 3.9Å; V233-I237 HydrophobicContact CG1-CG1 4.47Å; V233-I237 VanDerWaalsContact O-CG1 3.29Å; V233-I237 WeakPolarHBondContact O-CG1 3.41Å; V233-I237 PolarHBondContact O-N 3.3Å; I234-I237 HydrophobicContact CD1-CD1 4.48Å; I234-I237 PolarHBondContact O-N 3.27Å; I237-N239 VanDerWaalsContact C-N 3.33Å; I237-N239 PolarHBondContact O-N 2.63Å; I237-K240 PolarHBondContact O-N 3.41Å; I237-H241 PolarHBondContact O-CD2 3.45Å; I237-I248 HydrophobicContact CG2-CD1 4.13Å; I237-I248 HydrophobicContact CG2-CG2 3.97Å
238I97.9Very high97Very high7 Ų749.2 Ų49.24%0.03626%0.258CS..Hα-helixtrans-63-39.2-179.6-72.6169.5000111.4R61 L63 I234 H235 E236 H241 W246 L264 W301R61-I238 PolarHBondContact NH2-O 3.46Å; L63-I238 HydrophobicContact CD2-CD1 4.28Å; I234-I238 HydrophobicContact CG2-CD1 3.81Å; I234-I238 WeakPolarHBondContact O-CB 3.29Å; I234-I238 WeakPolarHBondContact O-CD1 3.42Å; I234-I238 WeakPolarHBondContact O-CG1 3.4Å; I234-I238 PolarHBondContact O-N 3.27Å; H235-I238 PolarHBondContact O-N 2.81Å; E236-I238 VanDerWaalsContact C-N 3.33Å; E236-I238 PolarHBondContact O-N 3.2Å; I238-H241 PolarHBondContact O-N 3.19Å; I238-W246 HydrophobicContact CG1-CH2 4.25Å; I238-W246 HydrophobicContact CG2-CH2 4.36Å; I238-W246 HydrophobicContact CG2-CZ2 4.39Å; I238-L264 HydrophobicContact CD1-CD1 3.86Å; I238-L264 HydrophobicContact CD1-CD2 3.74Å; I238-L264 HydrophobicContact CD1-CG 4.46Å; I238-W301 HydrophobicContact CD1-CH2 4.35Å; I238-W301 HydrophobicContact CD1-CZ2 3.97Å; I238-W301 HydrophobicContact CG2-CZ2 4.13Å
239N97.1Very high97.2Very high104 Ų10445.3 Ų45.356%0.55624%0.238SC*.Hα-helixtrans-73.2-27.4-179.8-71.3-17.1000113.1H235 E236 I237 H241H235-N239 WeakPolarHBondContact O-CB 3.5Å; H235-N239 PolarHBondContact O-N 3.34Å; H235-N239 PolarHBondContact O-ND2 2.87Å; E236-N239 PolarHBondContact O-N 2.88Å; I237-N239 VanDerWaalsContact C-N 3.33Å; I237-N239 PolarHBondContact O-N 2.63Å; N239-H241 PolarHBondContact O-N 2.9Å
240K97.4Very high97.3Very high92 Ų9244.5 Ų44.540%0.423%0.234SC..THydrogen-bonded Turntrans-63.8-15.2171.3-77.6-175.6175.7-1690113.1A206 E236 I237 P242A206-K240 PolarHBondContact O-NZ 2.93Å; E236-K240 WeakPolarHBondContact O-CG 3.36Å; E236-K240 PolarHBondContact O-N 3.08Å; I237-K240 PolarHBondContact O-N 3.41Å; K240-P242 WeakPolarHBondContact O-CD 3.4Å
241H97.2Very high97.4Very high25 Ų2544.4 Ų44.412%0.11623%0.234CC..  trans-123.776.4-177.7-60-62.3000112H141 Y143 I237 I238 N239 N243 W246 I248H141-H241 AromaticContact CD2-CD2 3.8Å; H141-H241 AromaticContact CD2-CE1 3.34Å; H141-H241 PolarHBondContact CD2-CE1 3.05Å; H141-H241 AromaticContact CD2-CG 3.6Å; H141-H241 AromaticContact CD2-ND1 3.32Å; H141-H241 PolarHBondContact CD2-ND1 2.85Å; H141-H241 VanDerWaalsContact CD2-ND1 3.32Å; H141-H241 AromaticContact CD2-NE2 3.63Å; H141-H241 AromaticContact CE1-CE1 3.6Å; H141-H241 AromaticContact CE1-ND1 3.7Å; H141-H241 AromaticContact CG-CE1 3.48Å; H141-H241 VanDerWaalsContact CG-CE1 3.48Å; H141-H241 AromaticContact CG-ND1 3.94Å; H141-H241 AromaticContact CG-NE2 3.67Å; H141-H241 AromaticContact ND1-CE1 3.65Å; H141-H241 AromaticContact NE2-CE1 3.47Å; H141-H241 PolarHBondContact NE2-CE1 3.47Å; H141-H241 AromaticContact NE2-CG 3.86Å; H141-H241 AromaticContact NE2-ND1 3.19Å; H141-H241 PolarHBondContact NE2-ND1 2.82Å; H141-H241 VanDerWaalsContact NE2-ND1 3.19Å; Y143-H241 AromaticContact CE2-NE2 3.75Å; Y143-H241 AromaticContact CZ-NE2 3.71Å; Y143-H241 PolarHBondContact OH-NE2 3.19Å; I237-H241 PolarHBondContact O-CD2 3.45Å; I238-H241 PolarHBondContact O-N 3.19Å; N239-H241 PolarHBondContact O-N 2.9Å; H241-N243 PolarHBondContact O-N 2.67Å; H241-W246 HydrophobicContact CB-CZ2 4.45Å; H241-W246 PolarHBondContact O-NE1 2.95Å; H241-I248 HydrophobicContact CB-CD1 4.25Å
242P94.4Very high97.5Very high75 Ų7544.1 Ų44.149%0.48723%0.232SC..  trans-73.7-22-175.828.3-35.5000114.6K240 P244K240-P242 WeakPolarHBondContact O-CD 3.4Å; P242-P244 WeakPolarHBondContact O-CD 3.41Å
243N95.2Very high97.6Very high132 Ų13237.5 Ų37.571%0.70620%0.203SC*.SBendtrans-102.7101.5-168.4-61-32.7000111.9H241H241-N243 PolarHBondContact O-N 2.67Å
244P94.7Very high97.5Very high53 Ų5337.7 Ų37.734%0.34421%0.205SC..SBendtrans-71.7166.5171.230.4-34.9000112.7S59 R61 P242S59-P244 VanDerWaalsContact O-CB 3.27Å; S59-P244 WeakPolarHBondContact O-CB 3.4Å; R61-P244 HydrophobicContact CG-CB 3.82Å; R61-P244 HydrophobicContact CG-CG 4.44Å; P242-P244 WeakPolarHBondContact O-CD 3.41Å
245P96Very high97.5Very high117 Ų11737.8 Ų37.876%0.7621%0.206SC*.SBendcis-81.6144.4-2.732.7-34.3000112.6G60G60-P245 CarbonylContact O-C 3.57Å; G60-P245 VanDerWaalsContact O-CA 3.28Å; G60-P245 WeakPolarHBondContact O-CA 3.38Å
246W97.5Very high97.5Very high8 Ų834.7 Ų34.73%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-145.9153.2173.749.6-114000112.5G60 R61 R62 S140 I238 H241 I248 W301G60-W246 PolarHBondContact O-N 3.42Å; R61-W246 HydrophobicContact CB-CD2 4.14Å; R61-W246 HydrophobicContact CB-CE3 4.23Å; R61-W246 HydrophobicContact CB-CH2 3.78Å; R61-W246 HydrophobicContact CB-CZ2 3.68Å; R61-W246 HydrophobicContact CB-CZ3 4.04Å; R61-W246 HydrophobicContact CG-CD2 4.19Å; R61-W246 HydrophobicContact CG-CH2 4.38Å; R61-W246 HydrophobicContact CG-CZ2 3.77Å; R62-W246 PolarHBondContact N-O 2.85Å; R62-W246 VanDerWaalsContact O-CZ3 3.24Å; R62-W246 WeakPolarHBondContact O-CZ3 3.28Å; S140-W246 VanDerWaalsContact OG-CB 3.31Å; S140-W246 WeakPolarHBondContact OG-CB 3.46Å; I238-W246 HydrophobicContact CG1-CH2 4.25Å; I238-W246 HydrophobicContact CG2-CH2 4.36Å; I238-W246 HydrophobicContact CG2-CZ2 4.39Å; H241-W246 HydrophobicContact CB-CZ2 4.45Å; H241-W246 PolarHBondContact O-NE1 2.95Å; W246-I248 HydrophobicContact CD2-CD1 4.04Å; W246-I248 HydrophobicContact CD2-CG1 4.09Å; W246-I248 HydrophobicContact CE3-CB 4.23Å; W246-I248 HydrophobicContact CE3-CD1 3.65Å; W246-I248 HydrophobicContact CE3-CG1 3.48Å; W246-I248 VanDerWaalsContact CE3-CG1 3.48Å; W246-I248 HydrophobicContact CH2-CD1 3.63Å; W246-I248 HydrophobicContact CH2-CG1 4.34Å; W246-I248 HydrophobicContact CZ2-CD1 3.98Å; W246-I248 HydrophobicContact CZ3-CB 4.14Å; W246-I248 HydrophobicContact CZ3-CD1 3.46Å; W246-I248 VanDerWaalsContact CZ3-CD1 3.46Å; W246-I248 HydrophobicContact CZ3-CG1 3.66Å; W246-W301 AromaticContact CH2-CH2 3.76Å; W246-W301 HydrophobicContact CH2-CH2 3.76Å; W246-W301 HydrophobicContact CH2-CZ2 4.5Å; W246-W301 HydrophobicContact CZ3-CH2 4.23Å
247N98Very high97.5Very high21 Ų2130.8 Ų30.811%0.11217%0.173CC..EExtended strand (participates in β ladder)trans-121.8110.4168.2-55.9-63.8000107.8R62 F64 V137 S138 F139 S140R62-N247 WeakPolarHBondContact CB-OD1 3.33Å; R62-N247 WeakPolarHBondContact CD-OD1 3.29Å; R62-N247 CarbonylContact O-C 3.56Å; R62-N247 WeakPolarHBondContact O-CA 3.49Å; F64-N247 HydrophobicContact CD2-CB 4.26Å; F64-N247 HydrophobicContact CE2-CB 3.8Å; V137-N247 HydrophobicContact CG1-CB 4.19Å; S138-N247 WeakPolarHBondContact O-CB 3.44Å; S138-N247 PolarHBondContact O-ND2 3.13Å; F139-N247 CarbonylContact C-O 3.56Å; F139-N247 WeakPolarHBondContact CA-O 3.14Å; F139-N247 HydrophobicContact CD1-CB 4.24Å; S140-N247 PolarHBondContact N-O 3.31Å; S140-N247 PolarHBondContact OG-N 3.45Å; S140-N247 PolarHBondContact OG-O 2.87Å
248I98.6Very high97.3Very high0 Ų030.8 Ų30.80%017%0.173CC..EExtended strand (participates in β ladder)trans-95.5122.3176.9-62.2174.5000108.4R62 L63 F64 H141 Y143 I237 H241 W246 V250R62-I248 PolarHBondContact O-N 3.22Å; L63-I248 HydrophobicContact CD1-CB 3.95Å; L63-I248 HydrophobicContact CD1-CG2 3.9Å; F64-I248 PolarHBondContact N-O 3.27Å; H141-I248 HydrophobicContact CB-CG1 4.21Å; H141-I248 WeakPolarHBondContact O-CA 3.45Å; Y143-I248 HydrophobicContact CD2-CG2 3.75Å; Y143-I248 HydrophobicContact CE2-CG2 4.08Å; I237-I248 HydrophobicContact CG2-CD1 4.13Å; I237-I248 HydrophobicContact CG2-CG2 3.97Å; H241-I248 HydrophobicContact CB-CD1 4.25Å; W246-I248 HydrophobicContact CD2-CD1 4.04Å; W246-I248 HydrophobicContact CD2-CG1 4.09Å; W246-I248 HydrophobicContact CE3-CB 4.23Å; W246-I248 HydrophobicContact CE3-CD1 3.65Å; W246-I248 HydrophobicContact CE3-CG1 3.48Å; W246-I248 VanDerWaalsContact CE3-CG1 3.48Å; W246-I248 HydrophobicContact CH2-CD1 3.63Å; W246-I248 HydrophobicContact CH2-CG1 4.34Å; W246-I248 HydrophobicContact CZ2-CD1 3.98Å; W246-I248 HydrophobicContact CZ3-CB 4.14Å; W246-I248 HydrophobicContact CZ3-CD1 3.46Å; W246-I248 VanDerWaalsContact CZ3-CD1 3.46Å; W246-I248 HydrophobicContact CZ3-CG1 3.66Å; I248-V250 HydrophobicContact CG2-CG2 4.06Å
249L98.8Very high97.3Very high1 Ų130.5 Ų30.51%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-92.7132.216817766.5000109.5F64 A66 F139 H141 V142 Y143 M157 V251F64-L249 HydrophobicContact CB-CD1 4.01Å; F64-L249 CarbonylContact O-C 3.53Å; F64-L249 WeakPolarHBondContact O-CA 3.49Å; A66-L249 HydrophobicContact CB-CD1 3.95Å; F139-L249 HydrophobicContact CB-CB 4.26Å; F139-L249 HydrophobicContact CD1-CB 3.7Å; F139-L249 HydrophobicContact CD2-CB 4.19Å; F139-L249 HydrophobicContact CD2-CD2 3.86Å; F139-L249 HydrophobicContact CE1-CB 4.03Å; F139-L249 HydrophobicContact CE1-CD1 4.28Å; F139-L249 HydrophobicContact CE2-CB 4.48Å; F139-L249 HydrophobicContact CE2-CD1 4.49Å; F139-L249 HydrophobicContact CE2-CD2 3.85Å; F139-L249 HydrophobicContact CG-CB 3.79Å; F139-L249 HydrophobicContact CG-CD2 4.32Å; F139-L249 HydrophobicContact CZ-CB 4.41Å; F139-L249 HydrophobicContact CZ-CD1 4.13Å; F139-L249 HydrophobicContact CZ-CD2 4.31Å; H141-L249 PolarHBondContact O-N 3.45Å; V142-L249 CarbonylContact C-O 3.56Å; V142-L249 WeakPolarHBondContact CA-O 3.41Å; V142-L249 HydrophobicContact CG1-CB 4.5Å; V142-L249 HydrophobicContact CG1-CD2 4.13Å; V142-L249 HydrophobicContact CG1-CG 4.42Å; V142-L249 HydrophobicContact CG2-CB 4.16Å; V142-L249 HydrophobicContact CG2-CD2 4.23Å; Y143-L249 PolarHBondContact N-O 3.18Å; M157-L249 HydrophobicContact CB-CD2 4.28Å; M157-L249 HydrophobicContact SD-CD1 4.23Å; M157-L249 HydrophobicContact SD-CD2 3.85Å; L249-V251 HydrophobicContact CD1-CG2 4.22Å; L249-V251 HydrophobicContact CD2-CG2 3.92Å; L249-V251 HydrophobicContact CG-CG2 3.85Å
250V98.9Very high97.2Very high1 Ų125.6 Ų25.61%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-121.7114.5173.2-179.30000107.8L63 F64 L65 A66 Y143 L174 I234 I248L63-V250 HydrophobicContact CD1-CG2 3.69Å; F64-V250 PolarHBondContact O-N 3.38Å; L65-V250 HydrophobicContact CD2-CB 3.83Å; L65-V250 HydrophobicContact CD2-CG1 4.21Å; L65-V250 HydrophobicContact CD2-CG2 4.14Å; A66-V250 PolarHBondContact N-O 2.82Å; Y143-V250 CarbonylContact O-C 3.55Å; Y143-V250 VanDerWaalsContact O-CA 3.29Å; Y143-V250 WeakPolarHBondContact O-CA 3.42Å; L174-V250 HydrophobicContact CD1-CG1 3.59Å; L174-V250 HydrophobicContact CD2-CG1 3.7Å; L174-V250 HydrophobicContact CG-CG1 4.27Å; I234-V250 HydrophobicContact CD1-CG1 4.08Å; I234-V250 HydrophobicContact CD1-CG2 4.12Å; I248-V250 HydrophobicContact CG2-CG2 4.06Å
251V98.9Very high97.1Very high0 Ų021.2 Ų21.20%013%0.127CC..EExtended strand (participates in β ladder)trans-102.3120.5178-172.20000110.1A66 Y143 C144 S145 C150 A154 M157 L249A66-V251 HydrophobicContact CB-CG2 4.47Å; A66-V251 WeakPolarHBondContact O-CA 3.37Å; Y143-V251 PolarHBondContact O-N 3.44Å; C144-V251 WeakPolarHBondContact CA-O 3.23Å; S145-V251 PolarHBondContact N-O 2.81Å; C150-V251 HydrophobicContact CB-CG1 4.12Å; C150-V251 WeakPolarHBondContact O-CG1 3.39Å; A154-V251 HydrophobicContact CB-CB 4.1Å; A154-V251 HydrophobicContact CB-CG1 4.47Å; A154-V251 HydrophobicContact CB-CG2 3.71Å; M157-V251 HydrophobicContact SD-CG2 4.05Å; L249-V251 HydrophobicContact CD1-CG2 4.22Å; L249-V251 HydrophobicContact CD2-CG2 3.92Å; L249-V251 HydrophobicContact CG-CG2 3.85Å
252G98.6Very high96.9Very high0 Ų020.8 Ų20.80%012%0.124CC..EExtended strand (participates in β ladder)trans-148.1-138.3-179.300000111.6A66 H68 C150A66-G252 PolarHBondContact O-N 3.17Å; H68-G252 PolarHBondContact CD2-O 3.13Å; H68-G252 VanDerWaalsContact CD2-O 3.28Å; H68-G252 PolarHBondContact N-O 3.19Å; C150-G252 PolarHBondContact SG-O 2.85Å; C150-G252 VanDerWaalsContact SG-O 3.42Å
253H98.5Very high96.8Very high0 Ų022.1 Ų22.10%012%0.122CC..  trans-116.9171.9-169.2-49.9-83.2000110.5H68 S145 R149 C150 F175 E176 P255 T256 L257H68-H253 AromaticContact CD2-ND1 3.51Å; H68-H253 AromaticContact NE2-ND1 3.65Å; S145-H253 WeakPolarHBondContact CB-NE2 3.49Å; S145-H253 PolarHBondContact OG-NE2 2.92Å; R149-H253 PolarHBondContact NH2-CE1 2.87Å; R149-H253 PolarHBondContact NH2-ND1 2.85Å; C150-H253 PolarHBondContact SG-CE1 3.16Å; F175-H253 AromaticContact CD2-NE2 3.64Å; E176-H253 HydrophobicContact CB-CB 3.78Å; E176-H253 HydrophobicContact CG-CB 4.5Å; E176-H253 PolarHBondContact N-CD2 3.3Å; E176-H253 VanDerWaalsContact N-CD2 3.29Å; E176-H253 IonicContact OE1-ND1 2.67Å; E176-H253 WeakPolarHBondContact OE2-CB 3.37Å; E176-H253 IonicContact OE2-CG 3.07Å; E176-H253 IonicContact OE2-ND1 2.83Å; H253-P255 VanDerWaalsContact C-N 3.34Å; H253-T256 PolarHBondContact N-OG1 2.88Å; H253-T256 VanDerWaalsContact O-CB 3.25Å; H253-T256 WeakPolarHBondContact O-CB 3.35Å; H253-T256 PolarHBondContact O-N 2.99Å; H253-L257 WeakPolarHBondContact O-CD1 3.36Å
254A97.9Very high96.7Very high6 Ų616.6 Ų16.65%0.059%0.092CC..Hα-helixtrans-53.1-47.217700000112.5R67 T256 L257 M280 F284R67-A254 HydrophobicContact CG-CB 4.49Å; A254-T256 VanDerWaalsContact C-N 3.3Å; A254-T256 PolarHBondContact O-N 3.27Å; A254-L257 PolarHBondContact O-N 3.17Å; A254-M280 HydrophobicContact CB-CB 4.35Å; A254-M280 HydrophobicContact CB-CG 4.07Å; A254-F284 HydrophobicContact CB-CB 4.11Å
255P97.3Very high96.5Very high3 Ų315.9 Ų15.92%0.0199%0.085CC..Hα-helixtrans-65.9-28.8176.4-19.231.8000114.5W180 Y226 H253 L257 D258 S259 M277 M280W180-P255 HydrophobicContact CH2-CG 3.56Å; W180-P255 HydrophobicContact CZ3-CG 3.97Å; Y226-P255 HydrophobicContact CE1-CB 3.81Å; Y226-P255 WeakPolarHBondContact OH-CB 3.3Å; H253-P255 VanDerWaalsContact C-N 3.34Å; P255-L257 PolarHBondContact O-N 2.77Å; P255-D258 PolarHBondContact O-N 3.21Å; P255-D258 VanDerWaalsContact O-N 3.1Å; P255-S259 PolarHBondContact O-N 2.76Å; P255-S259 PolarHBondContact O-OG 3.24Å; P255-S259 VanDerWaalsContact O-OG 3.1Å; P255-M277 HydrophobicContact CB-CE 3.94Å; P255-M277 HydrophobicContact CG-CE 4.42Å; P255-M280 HydrophobicContact CB-CG 4.11Å; P255-M280 HydrophobicContact CG-CB 4.18Å; P255-M280 HydrophobicContact CG-CG 3.96Å
256T97.6Very high96.2Very high2 Ų214.7 Ų14.71%0.0129%0.085CC..Hα-helixtrans-56.6-37.3176.6-52.20000111Y226 H253 A254 D258 S259 A260Y226-T256 PolarHBondContact OH-N 3.09Å; H253-T256 PolarHBondContact N-OG1 2.88Å; H253-T256 VanDerWaalsContact O-CB 3.25Å; H253-T256 WeakPolarHBondContact O-CB 3.35Å; H253-T256 PolarHBondContact O-N 2.99Å; A254-T256 VanDerWaalsContact C-N 3.3Å; A254-T256 PolarHBondContact O-N 3.27Å; T256-D258 VanDerWaalsContact C-N 3.29Å; T256-D258 PolarHBondContact O-N 3.17Å; T256-S259 WeakPolarHBondContact CA-OG 3.43Å; T256-A260 HydrophobicContact CG2-CB 4.33Å; T256-A260 WeakPolarHBondContact O-CB 3.15Å; T256-A260 PolarHBondContact O-N 3.3Å
257L97.4Very high95.6Very high0 Ų015.5 Ų15.50%09%0.089CC..Hα-helixtrans-65.4-31.8-178.8-87.862000112.7L65 R67 H253 A254 P255 S261 F284 A288 V290L65-L257 HydrophobicContact CB-CD1 4.29Å; L65-L257 HydrophobicContact CB-CG 4.09Å; R67-L257 HydrophobicContact CB-CD1 4.24Å; R67-L257 HydrophobicContact CB-CD2 4.48Å; H253-L257 WeakPolarHBondContact O-CD1 3.36Å; A254-L257 PolarHBondContact O-N 3.17Å; P255-L257 PolarHBondContact O-N 2.77Å; L257-S261 PolarHBondContact O-OG 2.82Å; L257-F284 HydrophobicContact CB-CD1 3.74Å; L257-F284 HydrophobicContact CB-CE1 3.91Å; L257-F284 HydrophobicContact CB-CG 4.1Å; L257-F284 HydrophobicContact CB-CZ 4.41Å; L257-F284 HydrophobicContact CD2-CB 4.19Å; L257-F284 HydrophobicContact CD2-CD1 3.66Å; L257-F284 HydrophobicContact CD2-CE1 4.43Å; L257-F284 HydrophobicContact CD2-CG 4.2Å; L257-F284 HydrophobicContact CG-CD1 4.34Å; L257-A288 HydrophobicContact CD2-CB 3.97Å; L257-V290 HydrophobicContact CB-CG2 4.14Å; L257-V290 HydrophobicContact CD2-CG2 3.99Å; L257-V290 HydrophobicContact CG-CG2 4.08Å
258D95.9Very high95Very high0 Ų018.1 Ų18.10%011%0.108CC..Hα-helixtrans-84.9-48.6175.2-163.878000111.3Y227 P255 T256 A260 S261 R262 M280 F284 R327Y227-D258 WeakPolarHBondContact CE1-OD2 3.31Å; Y227-D258 PolarHBondContact OH-OD2 2.69Å; Y227-D258 VanDerWaalsContact OH-OD2 3.08Å; P255-D258 PolarHBondContact O-N 3.21Å; P255-D258 VanDerWaalsContact O-N 3.1Å; T256-D258 VanDerWaalsContact C-N 3.29Å; T256-D258 PolarHBondContact O-N 3.17Å; D258-A260 PolarHBondContact O-N 3.19Å; D258-S261 PolarHBondContact O-N 3.25Å; D258-S261 PolarHBondContact O-OG 2.61Å; D258-R262 VanDerWaalsContact O-CB 3.25Å; D258-R262 WeakPolarHBondContact O-CB 3.05Å; D258-R262 PolarHBondContact O-N 3.35Å; D258-R262 IonicContact OD1-NH2 3.34Å; D258-R262 IonicContact OD2-CZ 2.71Å; D258-R262 IonicContact OD2-NE 3.59Å; D258-R262 PolarHBondContact OD2-NE 3.26Å; D258-R262 IonicContact OD2-NH2 3.74Å; D258-R262 PolarHBondContact OD2-NH2 3.31Å; D258-M280 HydrophobicContact CB-CE 4.2Å; D258-M280 HydrophobicContact CB-SD 4.04Å; D258-F284 HydrophobicContact CB-CE2 4.02Å; D258-F284 HydrophobicContact CB-CZ 4.23Å; D258-R327 IonicContact OD1-CZ 3.83Å; D258-R327 IonicContact OD1-NH1 3.69Å; D258-R327 PolarHBondContact OD1-NH1 3.42Å; D258-R327 IonicContact OD1-NH2 3.58Å; D258-R327 PolarHBondContact OD1-NH2 3.4Å; D258-R327 VanDerWaalsContact OD1-NH2 3.07Å; D258-R327 IonicContact OD2-CZ 3.85Å; D258-R327 IonicContact OD2-NH1 2.78Å; D258-R327 IonicContact OD2-NH2 2.97Å; D258-R327 PolarHBondContact OD2-NH2 2.83Å
259S96.4Very high94Very high1 Ų124.9 Ų24.91%0.00715%0.149CC..Hα-helixtrans-67.1-36.9-17465.80000112.9Y226 Y227 S230 P255 T256Y226-S259 PolarHBondContact OH-OG 2.88Å; Y227-S259 VanDerWaalsContact CE1-CA 3.45Å; S230-S259 VanDerWaalsContact CB-OG 3.24Å; S230-S259 WeakPolarHBondContact CB-OG 3.01Å; S230-S259 PolarHBondContact OG-OG 2.85Å; P255-S259 PolarHBondContact O-N 2.76Å; P255-S259 PolarHBondContact O-OG 3.24Å; P255-S259 VanDerWaalsContact O-OG 3.1Å; T256-S259 WeakPolarHBondContact CA-OG 3.43Å
260A96.3Very high93.4Very high1 Ų127.9 Ų27.91%0.00817%0.174CC..Hα-helixtrans-73.2-34.917900000113L65 S230 I234 T256 D258L65-A260 HydrophobicContact CD1-CB 3.81Å; L65-A260 HydrophobicContact CD2-CB 3.86Å; L65-A260 HydrophobicContact CG-CB 4.47Å; S230-A260 PolarHBondContact OG-N 3.23Å; I234-A260 HydrophobicContact CD1-CB 3.77Å; I234-A260 HydrophobicContact CG1-CB 3.56Å; T256-A260 HydrophobicContact CG2-CB 4.33Å; T256-A260 WeakPolarHBondContact O-CB 3.15Å; T256-A260 PolarHBondContact O-N 3.3Å; D258-A260 PolarHBondContact O-N 3.19Å
261S95.2Very high93Very high0 Ų030.6 Ų30.60%019%0.19CC..Hα-helixtrans-85.9-28.6-17765.20000113.1L257 D258 K263 L264 I265 F325L257-S261 PolarHBondContact O-OG 2.82Å; D258-S261 PolarHBondContact O-N 3.25Å; D258-S261 PolarHBondContact O-OG 2.61Å; S261-K263 PolarHBondContact O-N 3.43Å; S261-L264 WeakPolarHBondContact O-CB 3.1Å; S261-L264 PolarHBondContact O-N 2.86Å; S261-I265 PolarHBondContact O-N 2.88Å; S261-I265 VanDerWaalsContact O-N 3.11Å; S261-F325 VanDerWaalsContact OG-CE2 3.28Å; S261-F325 WeakPolarHBondContact OG-CE2 3.37Å
262R93Very high92.6Very high16 Ų1631.1 Ų31.16%0.0619%0.194CC..Hα-helixtrans-51.6-53.7-165.7-178.3169.3-76.3-82.8-5.6113.7D258 K267 P268 A270D258-R262 VanDerWaalsContact O-CB 3.25Å; D258-R262 WeakPolarHBondContact O-CB 3.05Å; D258-R262 PolarHBondContact O-N 3.35Å; D258-R262 IonicContact OD1-NH2 3.34Å; D258-R262 IonicContact OD2-CZ 2.71Å; D258-R262 IonicContact OD2-NE 3.59Å; D258-R262 PolarHBondContact OD2-NE 3.26Å; D258-R262 IonicContact OD2-NH2 3.74Å; D258-R262 PolarHBondContact OD2-NH2 3.31Å; R262-K267 HydrophobicContact CB-CD 4.32Å; R262-K267 HydrophobicContact CG-CB 3.62Å; R262-K267 HydrophobicContact CG-CD 3.96Å; R262-K267 HydrophobicContact CG-CG 4.22Å; R262-K267 VanDerWaalsContact O-CB 3.27Å; R262-K267 WeakPolarHBondContact O-CB 3.29Å; R262-K267 WeakPolarHBondContact O-CG 3.43Å; R262-K267 PolarHBondContact O-N 3.05Å; R262-P268 PolarHBondContact NH1-O 2.95Å; R262-A270 PolarHBondContact NH1-O 2.87Å
263K91.8Very high92.3Very high103 Ų10333.7 Ų33.745%0.44821%0.212SC..THydrogen-bonded Turntrans-71.7-32.3179.7-62.1-156.6-163.6173.70112.9D228 S231 S261 I265 A266D228-K263 IonicContact OD1-NZ 3.27Å; D228-K263 PolarHBondContact OD1-NZ 3.27Å; S231-K263 VanDerWaalsContact OG-CD 3.24Å; S231-K263 WeakPolarHBondContact OG-CD 3.47Å; S231-K263 WeakPolarHBondContact OG-CG 3.23Å; S261-K263 PolarHBondContact O-N 3.43Å; K263-I265 PolarHBondContact O-N 3.1Å; K263-A266 PolarHBondContact O-N 3.11Å
264L92.6Very high92Very high15 Ų1540.5 Ų40.58%0.07924%0.244CC..THydrogen-bonded Turntrans-63.2-43.2-179.6-69.2177.5000112.4L63 I234 I238 S261 A266 L292 W301L63-L264 HydrophobicContact CD2-CD1 3.65Å; I234-L264 HydrophobicContact CG2-CD1 3.65Å; I234-L264 HydrophobicContact CG2-CG 4.34Å; I238-L264 HydrophobicContact CD1-CD1 3.86Å; I238-L264 HydrophobicContact CD1-CD2 3.74Å; I238-L264 HydrophobicContact CD1-CG 4.46Å; S261-L264 WeakPolarHBondContact O-CB 3.1Å; S261-L264 PolarHBondContact O-N 2.86Å; L264-A266 PolarHBondContact O-N 3.05Å; L264-L292 HydrophobicContact CD1-CD1 4.15Å; L264-W301 HydrophobicContact CB-CB 4.19Å; L264-W301 HydrophobicContact CB-CG 4.06Å
265I92.1Very high91.8Very high38 Ų3846.3 Ų46.320%0.19527%0.27CS..THydrogen-bonded Turntrans-91.322.2179.369.7179.8000112.4S261 K263 K267 L292 W301 F325S261-I265 PolarHBondContact O-N 2.88Å; S261-I265 VanDerWaalsContact O-N 3.11Å; K263-I265 PolarHBondContact O-N 3.1Å; I265-K267 VanDerWaalsContact C-N 3.27Å; I265-K267 HydrophobicContact CD1-CD 4.2Å; I265-K267 HydrophobicContact CD1-CG 3.97Å; I265-K267 HydrophobicContact CG1-CD 4.34Å; I265-K267 HydrophobicContact CG1-CG 3.64Å; I265-K267 PolarHBondContact O-N 2.72Å; I265-L292 HydrophobicContact CG2-CD1 4.1Å; I265-L292 HydrophobicContact CG2-CD2 3.87Å; I265-W301 HydrophobicContact CG2-CB 4.04Å; I265-F325 HydrophobicContact CD1-CE1 3.62Å; I265-F325 HydrophobicContact CD1-CZ 3.59Å
266A88.4Confident91.6Very high92 Ų9248.7 Ų48.776%0.7628%0.282SS*.THydrogen-bonded Turntrans52.637.1175.600000114.9K263 L264K263-A266 PolarHBondContact O-N 3.11Å; L264-A266 PolarHBondContact O-N 3.05Å
267K86.1Confident91.4Very high25 Ų2548.7 Ų48.711%0.10928%0.282CS..  trans-66.2161.4175-69.4-158.8158.3-138.30112.7R262 I265 T269 F325 R327R262-K267 HydrophobicContact CB-CD 4.32Å; R262-K267 HydrophobicContact CG-CB 3.62Å; R262-K267 HydrophobicContact CG-CD 3.96Å; R262-K267 HydrophobicContact CG-CG 4.22Å; R262-K267 VanDerWaalsContact O-CB 3.27Å; R262-K267 WeakPolarHBondContact O-CB 3.29Å; R262-K267 WeakPolarHBondContact O-CG 3.43Å; R262-K267 PolarHBondContact O-N 3.05Å; I265-K267 VanDerWaalsContact C-N 3.27Å; I265-K267 HydrophobicContact CD1-CD 4.2Å; I265-K267 HydrophobicContact CD1-CG 3.97Å; I265-K267 HydrophobicContact CG1-CD 4.34Å; I265-K267 HydrophobicContact CG1-CG 3.64Å; I265-K267 PolarHBondContact O-N 2.72Å; K267-T269 PolarHBondContact O-N 3.02Å; K267-F325 WeakPolarHBondContact CE-O 3.23Å; K267-F325 VanDerWaalsContact NZ-C 3.35Å; K267-F325 PolarHBondContact NZ-O 2.74Å; K267-R327 PolarHBondContact NZ-O 2.95Å
268P84.4Confident91.2Very high77 Ų7753.9 Ų53.950%0.531%0.31SS..  trans-49.6138.7167.1-25.934.4000112.2R262 A270R262-P268 PolarHBondContact NH1-O 2.95Å; P268-A270 PolarHBondContact O-N 3.01Å
269T76.9Confident91.2Very high141 Ų14157.5 Ų57.587%0.86533%0.327SS*.SBendtrans-67.1-14.3-179.751.30000113.3K267 V271K267-T269 PolarHBondContact O-N 3.02Å; T269-V271 PolarHBondContact O-N 3.19Å
270A86.3Confident91.1Very high65 Ų6557.5 Ų57.554%0.53733%0.327SS..PPolyproline II helixtrans-58.2123.6174.300000110.8R262 P268R262-A270 PolarHBondContact NH1-O 2.87Å; P268-A270 PolarHBondContact O-N 3.01Å
271V90.4Very high91Very high57 Ų5758.9 Ų58.935%0.34534%0.341SS..PPolyproline II helixtrans-77.5153.1171-62.50000110.2L223 Y227 T269L223-V271 HydrophobicContact CB-CG2 4.31Å; Y227-V271 HydrophobicContact CD1-CG1 4.35Å; Y227-V271 HydrophobicContact CD2-CB 4.3Å; Y227-V271 HydrophobicContact CD2-CG1 3.97Å; Y227-V271 HydrophobicContact CG-CB 4.49Å; Y227-V271 HydrophobicContact CG-CG1 3.79Å; T269-V271 PolarHBondContact O-N 3.19Å
272P91.5Very high90.9Very high11 Ų1165 Ų657%0.07137%0.373CS..PPolyproline II helixtrans-65.7158.4178.7-21.937.3000112.3Y227 D276 M277 M280Y227-P272 HydrophobicContact CE1-CG 4.37Å; Y227-P272 HydrophobicContact CE2-CG 4.45Å; Y227-P272 VanDerWaalsContact OH-CD 3.28Å; Y227-P272 WeakPolarHBondContact OH-CD 3.46Å; Y227-P272 WeakPolarHBondContact OH-CG 3.42Å; P272-D276 HydrophobicContact CB-CB 3.75Å; P272-M277 HydrophobicContact CB-CG 4.21Å; P272-M277 HydrophobicContact CB-SD 4.18Å; P272-M277 HydrophobicContact CG-SD 4.2Å; P272-M280 HydrophobicContact CG-CE 4.49Å
273S92.5Very high91Very high55 Ų5565.6 Ų65.639%0.38538%0.376SS..PPolyproline II helixtrans-63.8160.1172.869.30000111.3Q275 D276 M277S273-Q275 PolarHBondContact O-N 3.36Å; S273-D276 PolarHBondContact N-OD2 2.8Å; S273-D276 PolarHBondContact O-N 3.11Å; S273-D276 VanDerWaalsContact O-N 3.16Å; S273-D276 PolarHBondContact OG-N 2.87Å; S273-D276 VanDerWaalsContact OG-N 3.09Å; S273-D276 PolarHBondContact OG-OD2 3.44Å; S273-M277 VanDerWaalsContact O-CG 3.31Å; S273-M277 WeakPolarHBondContact O-CG 3.39Å; S273-M277 PolarHBondContact O-N 2.72Å
274E91.8Very high91.2Very high143 Ų14360.7 Ų60.767%0.66836%0.355SS*.Hα-helixtrans-57.2-35.2172.7-72.8-173.7-174.400112.3L223 M277 N278L223-E274 HydrophobicContact CD1-CG 3.86Å; E274-M277 PolarHBondContact O-N 3.25Å; E274-N278 VanDerWaalsContact O-CG 3.26Å; E274-N278 PolarHBondContact O-N 2.85Å; E274-N278 PolarHBondContact O-ND2 2.91Å; E274-N278 VanDerWaalsContact O-ND2 3.11Å
275Q93.4Very high91.4Very high128 Ų12861 Ų6160%0.59836%0.358SS*.Hα-helixtrans-62.7-49.4175.5-178177.2-5.900111.3S273 M277 N278 Q279S273-Q275 PolarHBondContact O-N 3.36Å; Q275-M277 VanDerWaalsContact C-N 3.29Å; Q275-M277 PolarHBondContact O-N 3.48Å; Q275-N278 PolarHBondContact O-N 3.03Å; Q275-Q279 WeakPolarHBondContact O-CB 3.43Å; Q275-Q279 WeakPolarHBondContact O-CG 3.32Å; Q275-Q279 PolarHBondContact O-N 3.45Å
276D92.9Very high91.6Very high52 Ų5261.4 Ų61.428%0.27836%0.358SS..Hα-helixtrans-61.9-39.3176.9-65.2-44.9000111.4P272 S273 N278 Q279 M280 F324P272-D276 HydrophobicContact CB-CB 3.75Å; S273-D276 PolarHBondContact N-OD2 2.8Å; S273-D276 PolarHBondContact O-N 3.11Å; S273-D276 VanDerWaalsContact O-N 3.16Å; S273-D276 PolarHBondContact OG-N 2.87Å; S273-D276 VanDerWaalsContact OG-N 3.09Å; S273-D276 PolarHBondContact OG-OD2 3.44Å; D276-N278 VanDerWaalsContact C-N 3.34Å; D276-N278 PolarHBondContact O-N 3.14Å; D276-Q279 CarbonylContact O-C 3.49Å; D276-Q279 PolarHBondContact O-N 2.96Å; D276-M280 PolarHBondContact O-N 3.48Å; D276-F324 HydrophobicContact CB-CE2 4.35Å; D276-F324 HydrophobicContact CB-CZ 4.27Å
277M94.8Very high92.1Very high2 Ų257.1 Ų57.11%0.0132%0.322CS..Hα-helixtrans-61.7-41.1176.6-73.2-61.6-61.600112.1L223 Y226 Y227 P255 P272 S273 E274 Q275 Q279 M280L223-M277 HydrophobicContact CD1-CG 3.95Å; L223-M277 HydrophobicContact CD2-CB 4.36Å; L223-M277 HydrophobicContact CD2-CE 3.89Å; L223-M277 HydrophobicContact CD2-CG 3.72Å; L223-M277 HydrophobicContact CD2-SD 4.36Å; L223-M277 HydrophobicContact CG-CG 4.48Å; Y226-M277 HydrophobicContact CD1-CE 3.93Å; Y226-M277 HydrophobicContact CE1-CE 3.87Å; Y227-M277 HydrophobicContact CE2-CE 4Å; Y227-M277 HydrophobicContact CE2-SD 3.63Å; Y227-M277 PolarHBondContact OH-SD 2.72Å; P255-M277 HydrophobicContact CB-CE 3.94Å; P255-M277 HydrophobicContact CG-CE 4.42Å; P272-M277 HydrophobicContact CB-CG 4.21Å; P272-M277 HydrophobicContact CB-SD 4.18Å; P272-M277 HydrophobicContact CG-SD 4.2Å; S273-M277 VanDerWaalsContact O-CG 3.31Å; S273-M277 WeakPolarHBondContact O-CG 3.39Å; S273-M277 PolarHBondContact O-N 2.72Å; E274-M277 PolarHBondContact O-N 3.25Å; Q275-M277 VanDerWaalsContact C-N 3.29Å; Q275-M277 PolarHBondContact O-N 3.48Å; M277-Q279 VanDerWaalsContact C-N 3.31Å; M277-M280 VanDerWaalsContact O-CB 3.3Å; M277-M280 WeakPolarHBondContact O-CB 3.37Å; M277-M280 PolarHBondContact O-N 3.11Å; M277-M280 HydrophobicContact SD-CE 3.61Å
278N93Very high92.6Very high109 Ų10955.9 Ų55.958%0.58332%0.317SS*.Hα-helixtrans-72.5-24.7176.4-69.2-32.4000112.8W180 E274 Q275 D276W180-N278 PolarHBondContact NE1-OD1 2.95Å; E274-N278 VanDerWaalsContact O-CG 3.26Å; E274-N278 PolarHBondContact O-N 2.85Å; E274-N278 PolarHBondContact O-ND2 2.91Å; E274-N278 VanDerWaalsContact O-ND2 3.11Å; Q275-N278 PolarHBondContact O-N 3.03Å; D276-N278 VanDerWaalsContact C-N 3.34Å; D276-N278 PolarHBondContact O-N 3.14Å
279Q94.3Very high93.2Very high76 Ų7653.6 Ų53.636%0.35530%0.301SS..Hα-helixtrans-93.81.6178.5-70.1-175.5-14.900113.8Q275 D276 M277 G281 L282 H283Q275-Q279 WeakPolarHBondContact O-CB 3.43Å; Q275-Q279 WeakPolarHBondContact O-CG 3.32Å; Q275-Q279 PolarHBondContact O-N 3.45Å; D276-Q279 CarbonylContact O-C 3.49Å; D276-Q279 PolarHBondContact O-N 2.96Å; M277-Q279 VanDerWaalsContact C-N 3.31Å; Q279-G281 PolarHBondContact O-N 3.03Å; Q279-L282 HydrophobicContact CB-CD1 4.12Å; Q279-L282 HydrophobicContact CG-CD1 4.17Å; Q279-L282 VanDerWaalsContact O-CB 3.27Å; Q279-L282 WeakPolarHBondContact O-CB 3.35Å; Q279-L282 PolarHBondContact O-N 2.85Å; Q279-H283 PolarHBondContact O-CD2 3.23Å
280M95.8Very high94.1Very high2 Ų246.9 Ų46.91%0.0126%0.26CS..Hα-helixtrans-53.5-34.6-176.7-161.264.871.200113.5A254 P255 D258 P272 D276 M277 L282 H283 F284 F324A254-M280 HydrophobicContact CB-CB 4.35Å; A254-M280 HydrophobicContact CB-CG 4.07Å; P255-M280 HydrophobicContact CB-CG 4.11Å; P255-M280 HydrophobicContact CG-CB 4.18Å; P255-M280 HydrophobicContact CG-CG 3.96Å; D258-M280 HydrophobicContact CB-CE 4.2Å; D258-M280 HydrophobicContact CB-SD 4.04Å; P272-M280 HydrophobicContact CG-CE 4.49Å; D276-M280 PolarHBondContact O-N 3.48Å; M277-M280 VanDerWaalsContact O-CB 3.3Å; M277-M280 WeakPolarHBondContact O-CB 3.37Å; M277-M280 PolarHBondContact O-N 3.11Å; M277-M280 HydrophobicContact SD-CE 3.61Å; M280-L282 PolarHBondContact O-N 2.8Å; M280-H283 PolarHBondContact O-N 3.17Å; M280-H283 VanDerWaalsContact O-N 3.12Å; M280-F284 HydrophobicContact CG-CD2 3.83Å; M280-F284 HydrophobicContact CG-CE2 4.29Å; M280-F284 PolarHBondContact O-N 3.42Å; M280-F284 HydrophobicContact SD-CD2 3.54Å; M280-F284 VanDerWaalsContact SD-CD2 3.54Å; M280-F284 HydrophobicContact SD-CE2 3.39Å; M280-F284 WeakPolarHBondContact SD-CE2 3.4Å; M280-F324 HydrophobicContact CE-CE1 4.24Å; M280-F324 HydrophobicContact CE-CZ 4.28Å; M280-F324 HydrophobicContact SD-CE1 3.59Å; M280-F324 VanDerWaalsContact SD-CE1 3.59Å; M280-F324 HydrophobicContact SD-CZ 4.07Å
281G94.6Very high94.6Very high29 Ų2944 Ų4430%0.29924%0.236SC..Hα-helixtrans-64.8-20.2176.600000115.1R67 Q279R67-G281 PolarHBondContact NH1-O 3.36Å; R67-G281 VanDerWaalsContact NH1-O 3.16Å; Q279-G281 PolarHBondContact O-N 3.03Å
282L92.9Very high94.8Very high128 Ų12841.3 Ų41.367%0.6722%0.22SC*.Hα-helixtrans-79.4-30.6173.6-57.7176.5000111.8Q279 M280Q279-L282 HydrophobicContact CB-CD1 4.12Å; Q279-L282 HydrophobicContact CG-CD1 4.17Å; Q279-L282 VanDerWaalsContact O-CB 3.27Å; Q279-L282 WeakPolarHBondContact O-CB 3.35Å; Q279-L282 PolarHBondContact O-N 2.85Å; M280-L282 PolarHBondContact O-N 2.8Å
283H93.9Very high95Very high29 Ų2941.6 Ų41.613%0.13422%0.22CC..Hα-helixtrans-89.6-26.4-179.6-58.5-60.8000112.9Q279 M280 N321 F324Q279-H283 PolarHBondContact O-CD2 3.23Å; M280-H283 PolarHBondContact O-N 3.17Å; M280-H283 VanDerWaalsContact O-N 3.12Å; H283-N321 HydrophobicContact CB-CB 4.08Å; H283-N321 PolarHBondContact ND1-ND2 3.08Å; H283-N321 PolarHBondContact O-N 3.25Å; H283-F324 HydrophobicContact CB-CB 4.06Å; H283-F324 HydrophobicContact CB-CD1 3.49Å; H283-F324 VanDerWaalsContact CB-CD1 3.49Å; H283-F324 HydrophobicContact CB-CD2 4.43Å; H283-F324 HydrophobicContact CB-CE1 3.98Å; H283-F324 HydrophobicContact CB-CG 3.74Å; H283-F324 AromaticContact CD2-CD1 3.85Å; H283-F324 AromaticContact CD2-CD2 3.46Å; H283-F324 VanDerWaalsContact CD2-CD2 3.46Å; H283-F324 WeakPolarHBondContact CD2-CD2 3.38Å; H283-F324 AromaticContact CD2-CE1 3.78Å; H283-F324 AromaticContact CD2-CE2 3.39Å; H283-F324 WeakPolarHBondContact CD2-CE2 3.38Å; H283-F324 AromaticContact CD2-CG 3.68Å; H283-F324 AromaticContact CD2-CZ 3.54Å; H283-F324 AromaticContact CE1-CD2 3.56Å; H283-F324 AromaticContact CE1-CG 3.98Å; H283-F324 AromaticContact CG-CD1 3.57Å; H283-F324 AromaticContact CG-CD2 3.6Å; H283-F324 AromaticContact CG-CE1 3.96Å; H283-F324 AromaticContact CG-CE2 3.98Å; H283-F324 AromaticContact CG-CG 3.36Å; H283-F324 AromaticContact ND1-CD2 3.66Å; H283-F324 AromaticContact ND1-CG 3.57Å; H283-F324 AromaticContact NE2-CD2 3.45Å; H283-F324 WeakPolarHBondContact NE2-CD2 3.39Å; H283-F324 AromaticContact NE2-CE2 3.47Å; H283-F324 WeakPolarHBondContact NE2-CE2 3.39Å
284F96.1Very high95.2Very high0 Ų039.6 Ų39.60%021%0.205CC..SBendtrans-125.881.7176.8-59.8-76.6000109.2R67 A254 L257 D258 M280 A288 V290 I320 F324 F325R67-F284 WeakPolarHBondContact CD-O 3.44Å; R67-F284 PolarHBondContact NH1-O 3.32Å; A254-F284 HydrophobicContact CB-CB 4.11Å; L257-F284 HydrophobicContact CB-CD1 3.74Å; L257-F284 HydrophobicContact CB-CE1 3.91Å; L257-F284 HydrophobicContact CB-CG 4.1Å; L257-F284 HydrophobicContact CB-CZ 4.41Å; L257-F284 HydrophobicContact CD2-CB 4.19Å; L257-F284 HydrophobicContact CD2-CD1 3.66Å; L257-F284 HydrophobicContact CD2-CE1 4.43Å; L257-F284 HydrophobicContact CD2-CG 4.2Å; L257-F284 HydrophobicContact CG-CD1 4.34Å; D258-F284 HydrophobicContact CB-CE2 4.02Å; D258-F284 HydrophobicContact CB-CZ 4.23Å; M280-F284 HydrophobicContact CG-CD2 3.83Å; M280-F284 HydrophobicContact CG-CE2 4.29Å; M280-F284 PolarHBondContact O-N 3.42Å; M280-F284 HydrophobicContact SD-CD2 3.54Å; M280-F284 VanDerWaalsContact SD-CD2 3.54Å; M280-F284 HydrophobicContact SD-CE2 3.39Å; M280-F284 WeakPolarHBondContact SD-CE2 3.4Å; F284-A288 HydrophobicContact CB-CB 4.39Å; F284-V290 HydrophobicContact CD1-CG2 4.47Å; F284-V290 HydrophobicContact CE1-CG2 4.04Å; F284-I320 HydrophobicContact CD1-CB 4.08Å; F284-I320 HydrophobicContact CD1-CG2 3.7Å; F284-I320 HydrophobicContact CE1-CB 4.2Å; F284-I320 HydrophobicContact CE1-CG2 4.1Å; F284-F324 AromaticContact CE2-CD1 3.9Å; F284-F324 HydrophobicContact CE2-CD1 3.9Å; F284-F324 AromaticContact CE2-CE1 3.87Å; F284-F324 HydrophobicContact CE2-CE1 3.87Å; F284-F324 HydrophobicContact CZ-CD1 4.28Å; F284-F325 HydrophobicContact CE1-CB 4.49Å; F284-F325 AromaticContact CE1-CD2 3.83Å; F284-F325 HydrophobicContact CE1-CD2 3.83Å; F284-F325 HydrophobicContact CZ-CB 4.44Å; F284-F325 AromaticContact CZ-CD2 3.89Å; F284-F325 HydrophobicContact CZ-CD2 3.89Å
285P96.4Very high95.3Very high23 Ų2333 Ų3315%0.14917%0.174CC..  trans-60.3167.7-176.8-22.934.2000113.7R67 G287 A288 F316 T317 R319R67-P285 VanDerWaalsContact CD-O 3.27Å; R67-P285 WeakPolarHBondContact CD-O 3.32Å; P285-G287 PolarHBondContact O-N 3.17Å; P285-A288 WeakPolarHBondContact O-CB 3.36Å; P285-A288 PolarHBondContact O-N 2.75Å; P285-F316 HydrophobicContact CB-CE2 4.3Å; P285-F316 HydrophobicContact CB-CZ 4.49Å; P285-T317 WeakPolarHBondContact CB-O 3.19Å; P285-T317 WeakPolarHBondContact CG-O 3.26Å; P285-R319 WeakPolarHBondContact CD-O 3.47Å
286Y97.6Very high95.3Very high46 Ų4633 Ų3318%0.1817%0.174CC..THydrogen-bonded Turntrans-55134.5178.4-68.2-67.7000111.5R67 H68 G69 E70 R71 R74 A288 F316 N318R67-Y286 VanDerWaalsContact NH2-CZ 3.31Å; H68-Y286 AromaticContact CE1-CE1 3.79Å; G69-Y286 WeakPolarHBondContact O-CD1 3.27Å; E70-Y286 HydrophobicContact CB-CD2 4.47Å; E70-Y286 HydrophobicContact CB-CG 4.45Å; R71-Y286 HydrophobicContact CG-CE1 3.97Å; R74-Y286 WeakPolarHBondContact CG-OH 3.5Å; Y286-A288 PolarHBondContact O-N 2.7Å; Y286-F316 WeakPolarHBondContact O-CZ 3.26Å; Y286-N318 WeakPolarHBondContact O-CB 3.46Å
287G97.7Very high95.3Very high1 Ų136.1 Ų36.11%0.0119%0.191CC..THydrogen-bonded Turntrans69.412.7-174.600000115.1R67 H68 I128 P285 N318R67-G287 WeakPolarHBondContact O-CA 3.49Å; R67-G287 PolarHBondContact O-N 2.92Å; H68-G287 PolarHBondContact O-N 3.06Å; H68-G287 VanDerWaalsContact O-N 3.08Å; I128-G287 WeakPolarHBondContact CD1-O 3.42Å; P285-G287 PolarHBondContact O-N 3.17Å; G287-N318 PolarHBondContact O-ND2 3.49Å
288A97Very high95Very high0 Ų042.2 Ų42.20%021%0.214CC..  trans-62.2145.9172.800000111.8A66 R67 L257 F284 P285 Y286 N318 I320A66-A288 CarbonylContact C-O 3.59Å; A66-A288 WeakPolarHBondContact CA-O 3.38Å; R67-A288 PolarHBondContact N-O 3.42Å; L257-A288 HydrophobicContact CD2-CB 3.97Å; F284-A288 HydrophobicContact CB-CB 4.39Å; P285-A288 WeakPolarHBondContact O-CB 3.36Å; P285-A288 PolarHBondContact O-N 2.75Å; Y286-A288 PolarHBondContact O-N 2.7Å; A288-N318 WeakPolarHBondContact CA-O 3.48Å; A288-N318 WeakPolarHBondContact CB-O 3.25Å; A288-I320 HydrophobicContact CB-CG2 3.95Å
289V97.2Very high94.8Very high29 Ų2940.9 Ų40.918%0.17621%0.213CC..EExtended strand (participates in β ladder)trans-132.5126177.7-173.60000110.2F64 L65 A66 I128 L308F64-V289 HydrophobicContact CB-CG1 4.39Å; F64-V289 HydrophobicContact CD1-CG1 4.34Å; L65-V289 CarbonylContact O-C 3.57Å; L65-V289 VanDerWaalsContact O-CA 3.31Å; L65-V289 WeakPolarHBondContact O-CA 3.48Å; A66-V289 HydrophobicContact CB-CG2 3.99Å; I128-V289 HydrophobicContact CD1-CG2 4.4Å; I128-V289 HydrophobicContact CG2-CG2 3.85Å; V289-L308 HydrophobicContact CB-CD1 4.2Å; V289-L308 HydrophobicContact CG1-CD1 3.84Å; V289-L308 HydrophobicContact CG2-CD1 4.13Å
290V96.4Very high94.7Very high0 Ų041.7 Ų41.70%022%0.215CC..EExtended strand (participates in β ladder)trans-99.4119.2164.9171.70000107.2L65 L257 F284 L292 L303 I320 F325L65-V290 HydrophobicContact CB-CB 4.25Å; L65-V290 HydrophobicContact CD1-CB 4.49Å; L65-V290 HydrophobicContact CD1-CG1 4.39Å; L65-V290 PolarHBondContact N-O 2.91Å; L65-V290 PolarHBondContact O-N 3.47Å; L257-V290 HydrophobicContact CB-CG2 4.14Å; L257-V290 HydrophobicContact CD2-CG2 3.99Å; L257-V290 HydrophobicContact CG-CG2 4.08Å; F284-V290 HydrophobicContact CD1-CG2 4.47Å; F284-V290 HydrophobicContact CE1-CG2 4.04Å; V290-L292 HydrophobicContact CG1-CD2 3.86Å; V290-L292 HydrophobicContact CG1-CG 4.07Å; V290-L303 HydrophobicContact CG1-CD1 3.88Å; V290-I320 HydrophobicContact CG2-CD1 3.82Å; V290-I320 HydrophobicContact CG2-CG2 4.02Å; V290-F325 HydrophobicContact CB-CE2 4.35Å; V290-F325 HydrophobicContact CG1-CE1 4.48Å; V290-F325 HydrophobicContact CG1-CE2 3.63Å; V290-F325 HydrophobicContact CG1-CZ 3.58Å; V290-F325 HydrophobicContact CG2-CD2 3.98Å; V290-F325 HydrophobicContact CG2-CE2 3.74Å; V290-F325 HydrophobicContact CG2-CZ 4.44Å
291A95.9Very high94.7Very high5 Ų542.7 Ų42.74%0.04122%0.219CC..EExtended strand (participates in β ladder)trans-106.9126.5175.200000109.7L63 F64 L303 M304 A307L63-A291 CarbonylContact O-C 3.57Å; L63-A291 WeakPolarHBondContact O-CA 3.44Å; F64-A291 HydrophobicContact CD1-CB 3.72Å; F64-A291 HydrophobicContact CE1-CB 3.75Å; A291-L303 WeakPolarHBondContact O-CD1 3.15Å; A291-M304 HydrophobicContact CB-CB 3.93Å; A291-M304 HydrophobicContact CB-SD 4.23Å; A291-M304 WeakPolarHBondContact O-CB 3.31Å; A291-M304 PolarHBondContact O-N 3.29Å; A291-A307 HydrophobicContact CB-CB 3.21Å
292L96Very high94.6Very high0 Ų042.6 Ų42.60%021%0.211CC..EExtended strand (participates in β ladder)trans-118.3144.4178.5-55.4178.8000109.4R62 L63 L264 I265 V290 W301 Q302 L303 F325R62-L292 CarbonylContact C-O 3.51Å; R62-L292 VanDerWaalsContact CA-O 3.29Å; R62-L292 WeakPolarHBondContact CA-O 3.47Å; L63-L292 HydrophobicContact CB-CB 4.45Å; L63-L292 PolarHBondContact N-O 3.08Å; L63-L292 PolarHBondContact O-N 3.45Å; L264-L292 HydrophobicContact CD1-CD1 4.15Å; I265-L292 HydrophobicContact CG2-CD1 4.1Å; I265-L292 HydrophobicContact CG2-CD2 3.87Å; V290-L292 HydrophobicContact CG1-CD2 3.86Å; V290-L292 HydrophobicContact CG1-CG 4.07Å; L292-W301 HydrophobicContact CB-CE3 3.9Å; L292-Q302 CarbonylContact C-O 3.55Å; L292-Q302 VanDerWaalsContact CA-O 3.27Å; L292-Q302 WeakPolarHBondContact CA-O 3.48Å; L292-L303 HydrophobicContact CD2-CB 4.42Å; L292-L303 HydrophobicContact CD2-CD1 4.04Å; L292-F325 HydrophobicContact CD2-CZ 4.35Å
293E95.6Very high94.5Very high17 Ų1737.6 Ų37.68%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-125.4142.6167.965.3-172.3173.600110.2R62 W301 Q302 M304R62-E293 HydrophobicContact CG-CB 3.94Å; R62-E293 IonicContact NE-OE2 3.83Å; R62-E293 IonicContact NH2-OE2 3.96Å; E293-W301 WeakPolarHBondContact O-CA 3.42Å; E293-Q302 HydrophobicContact CG-CG 3.64Å; E293-Q302 PolarHBondContact N-O 3.41Å; E293-Q302 PolarHBondContact O-N 3.04Å; E293-Q302 PolarHBondContact OE1-NE2 3.45Å; E293-M304 HydrophobicContact CB-CG 3.79Å; E293-M304 HydrophobicContact CB-SD 3.81Å; E293-M304 HydrophobicContact CG-CG 3.63Å; E293-M304 HydrophobicContact CG-SD 4.27Å
294E96.1Very high94.3Very high13 Ų1337.6 Ų37.66%0.06119%0.185CC..EExtended strand (participates in β ladder)trans-85.1136.3170.8-167.6-176.6-118.900109.2S58 S59 R61 R298 W301S58-E294 PolarHBondContact OG-O 3.07Å; S59-E294 PolarHBondContact N-O 2.67Å; S59-E294 WeakPolarHBondContact OG-CB 3.37Å; S59-E294 PolarHBondContact OG-O 3.41Å; S59-E294 PolarHBondContact OG-OE2 3.34Å; S59-E294 VanDerWaalsContact OG-OE2 3.11Å; R61-E294 HydrophobicContact CB-CB 4.23Å; R61-E294 VanDerWaalsContact CD-OE2 3.26Å; R61-E294 WeakPolarHBondContact CD-OE2 3.39Å; R61-E294 IonicContact CZ-OE2 3.57Å; R61-E294 IonicContact NE-OE2 3.78Å; R61-E294 IonicContact NH1-OE1 2.63Å; R61-E294 PolarHBondContact NH1-OE1 3.23Å; R61-E294 IonicContact NH1-OE2 3.63Å; R61-E294 PolarHBondContact NH1-OE2 3.3Å; R61-E294 PolarHBondContact O-N 3.28Å; E294-R298 HydrophobicContact CG-CB 4.47Å; E294-W301 HydrophobicContact CB-CD2 3.82Å; E294-W301 HydrophobicContact CB-CE3 3.92Å; E294-W301 HydrophobicContact CB-CG 4.47Å; E294-W301 HydrophobicContact CB-CH2 3.87Å; E294-W301 HydrophobicContact CB-CZ2 3.75Å; E294-W301 HydrophobicContact CB-CZ3 3.95Å; E294-W301 HydrophobicContact CG-CD2 4.29Å; E294-W301 HydrophobicContact CG-CZ2 4.15Å; E294-W301 PolarHBondContact OE1-NE1 3.13Å
295V94.4Very high93.6Very high3 Ų341.1 Ų41.12%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-71.3156.7177.1-610000111L56 P57 S59 D297 R298 S299 K300 Q302L56-V295 HydrophobicContact CB-CB 4.4Å; L56-V295 HydrophobicContact CB-CG1 3.85Å; L56-V295 HydrophobicContact CD1-CG1 3.93Å; P57-V295 CarbonylContact O-C 3.48Å; P57-V295 WeakPolarHBondContact O-CA 3.08Å; S59-V295 WeakPolarHBondContact CB-O 3.3Å; V295-D297 VanDerWaalsContact C-N 3.32Å; V295-D297 WeakPolarHBondContact CG2-OD1 3.4Å; V295-D297 PolarHBondContact O-N 3.05Å; V295-R298 WeakPolarHBondContact O-CA 3.26Å; V295-R298 PolarHBondContact O-N 3.45Å; V295-S299 WeakPolarHBondContact CG2-OG 3.47Å; V295-K300 HydrophobicContact CB-CG 4.49Å; V295-K300 HydrophobicContact CG1-CG 3.94Å; V295-K300 HydrophobicContact CG2-CG 3.65Å; V295-K300 WeakPolarHBondContact CG2-O 3.34Å; V295-K300 PolarHBondContact N-O 3.21Å; V295-Q302 HydrophobicContact CG1-CG 4.38Å
296E93Very high92.6Very high129 Ų12941.2 Ų41.260%0.60320%0.203SC*.THydrogen-bonded Turntrans-54.8-41.9-171.1-178.3173.6-150.200113.7P57 R298P57-E296 HydrophobicContact CB-CB 3.86Å; P57-E296 WeakPolarHBondContact CB-OE2 3.05Å; P57-E296 WeakPolarHBondContact O-CB 3.4Å; P57-E296 PolarHBondContact O-N 3.1Å; E296-R298 PolarHBondContact O-N 3.35Å
297D91.8Very high92Very high118 Ų11839.5 Ų39.563%0.63120%0.198SC*.THydrogen-bonded Turntrans-76.2-0.3177.5710.5000113.9V295 S299V295-D297 VanDerWaalsContact C-N 3.32Å; V295-D297 WeakPolarHBondContact CG2-OD1 3.4Å; V295-D297 PolarHBondContact O-N 3.05Å; D297-S299 VanDerWaalsContact CG-OG 3.3Å; D297-S299 PolarHBondContact O-N 3.18Å; D297-S299 WeakPolarHBondContact OD1-CB 3.38Å; D297-S299 PolarHBondContact OD1-N 3.3Å; D297-S299 PolarHBondContact OD1-OG 2.81Å; D297-S299 PolarHBondContact OD2-OG 2.84Å
298R90Very high91.6Very high130 Ų13040.6 Ų40.649%0.49120%0.203SC..SBendtrans57.922.4-177.2-51.4-175.4177.7-162.6-3.6114.3E294 V295 E296E294-R298 HydrophobicContact CG-CB 4.47Å; V295-R298 WeakPolarHBondContact O-CA 3.26Å; V295-R298 PolarHBondContact O-N 3.45Å; E296-R298 PolarHBondContact O-N 3.35Å
299S88.5Confident91.3Very high80 Ų8041.8 Ų41.856%0.55921%0.211SC*.SBendtrans-74.2-29.1179.562.90000113.3V295 D297V295-S299 WeakPolarHBondContact CG2-OG 3.47Å; D297-S299 VanDerWaalsContact CG-OG 3.3Å; D297-S299 PolarHBondContact O-N 3.18Å; D297-S299 WeakPolarHBondContact OD1-CB 3.38Å; D297-S299 PolarHBondContact OD1-N 3.3Å; D297-S299 PolarHBondContact OD1-OG 2.81Å; D297-S299 PolarHBondContact OD2-OG 2.84Å
300K92.9Very high90.9Very high94 Ų9442.2 Ų42.241%0.40921%0.214SC..  trans-155.5161-176.663.3178.4178179.80113.9V295V295-K300 HydrophobicContact CB-CG 4.49Å; V295-K300 HydrophobicContact CG1-CG 3.94Å; V295-K300 HydrophobicContact CG2-CG 3.65Å; V295-K300 WeakPolarHBondContact CG2-O 3.34Å; V295-K300 PolarHBondContact N-O 3.21Å
301W95.2Very high90.6Very high22 Ų2243.2 Ų43.28%0.08322%0.219CC..EExtended strand (participates in β ladder)trans-98.8141162.4-68.477.2000109.8R61 L63 I238 W246 L264 I265 L292 E293 E294R61-W301 HydrophobicContact CB-CH2 4.06Å; L63-W301 HydrophobicContact CB-CZ3 4.02Å; I238-W301 HydrophobicContact CD1-CH2 4.35Å; I238-W301 HydrophobicContact CD1-CZ2 3.97Å; I238-W301 HydrophobicContact CG2-CZ2 4.13Å; W246-W301 AromaticContact CH2-CH2 3.76Å; W246-W301 HydrophobicContact CH2-CH2 3.76Å; W246-W301 HydrophobicContact CH2-CZ2 4.5Å; W246-W301 HydrophobicContact CZ3-CH2 4.23Å; L264-W301 HydrophobicContact CB-CB 4.19Å; L264-W301 HydrophobicContact CB-CG 4.06Å; I265-W301 HydrophobicContact CG2-CB 4.04Å; L292-W301 HydrophobicContact CB-CE3 3.9Å; E293-W301 WeakPolarHBondContact O-CA 3.42Å; E294-W301 HydrophobicContact CB-CD2 3.82Å; E294-W301 HydrophobicContact CB-CE3 3.92Å; E294-W301 HydrophobicContact CB-CG 4.47Å; E294-W301 HydrophobicContact CB-CH2 3.87Å; E294-W301 HydrophobicContact CB-CZ2 3.75Å; E294-W301 HydrophobicContact CB-CZ3 3.95Å; E294-W301 HydrophobicContact CG-CD2 4.29Å; E294-W301 HydrophobicContact CG-CZ2 4.15Å; E294-W301 PolarHBondContact OE1-NE1 3.13Å
302Q91.7Very high90.2Very high27 Ų2746.5 Ų46.513%0.12624%0.242CC..EExtended strand (participates in β ladder)trans-128.8153.7177.970.7-173.920.300111.8L292 E293 V295L292-Q302 CarbonylContact C-O 3.55Å; L292-Q302 VanDerWaalsContact CA-O 3.27Å; L292-Q302 WeakPolarHBondContact CA-O 3.48Å; E293-Q302 HydrophobicContact CG-CG 3.64Å; E293-Q302 PolarHBondContact N-O 3.41Å; E293-Q302 PolarHBondContact O-N 3.04Å; E293-Q302 PolarHBondContact OE1-NE2 3.45Å; V295-Q302 HydrophobicContact CG1-CG 4.38Å
303L91Very high89.7Confident23 Ų2352 Ų5212%0.1226%0.264CS..EExtended strand (participates in β ladder)trans-75.8123.8178.7-177.167.9000111.1V290 A291 L292 H305 F322 F325V290-L303 HydrophobicContact CG1-CD1 3.88Å; A291-L303 WeakPolarHBondContact O-CD1 3.15Å; L292-L303 HydrophobicContact CD2-CB 4.42Å; L292-L303 HydrophobicContact CD2-CD1 4.04Å; L303-H305 PolarHBondContact O-N 3.13Å; L303-H305 PolarHBondContact O-ND1 3.2Å; L303-H305 VanDerWaalsContact O-ND1 3.17Å; L303-F322 HydrophobicContact CD2-CD1 3.74Å; L303-F322 HydrophobicContact CD2-CE1 3.77Å; L303-F325 HydrophobicContact CB-CE1 4.4Å; L303-F325 HydrophobicContact CD1-CD1 4.36Å; L303-F325 HydrophobicContact CD1-CE1 3.78Å; L303-F325 HydrophobicContact CD1-CZ 4.18Å; L303-F325 HydrophobicContact CD2-CD1 3.87Å; L303-F325 HydrophobicContact CD2-CE1 3.89Å; L303-F325 HydrophobicContact CG-CE1 4.26Å
304M89.8Confident89.1Confident30 Ų3058.4 Ų58.415%0.14830%0.298CS..  trans-83.889.3169.6-58.1177.875.600109.6R62 A291 E293 S306 A307R62-M304 HydrophobicContact CG-SD 4.13Å; A291-M304 HydrophobicContact CB-CB 3.93Å; A291-M304 HydrophobicContact CB-SD 4.23Å; A291-M304 WeakPolarHBondContact O-CB 3.31Å; A291-M304 PolarHBondContact O-N 3.29Å; E293-M304 HydrophobicContact CB-CG 3.79Å; E293-M304 HydrophobicContact CB-SD 3.81Å; E293-M304 HydrophobicContact CG-CG 3.63Å; E293-M304 HydrophobicContact CG-SD 4.27Å; M304-S306 PolarHBondContact O-N 2.93Å; M304-S306 VanDerWaalsContact O-N 3.15Å; M304-A307 HydrophobicContact CB-CB 3.77Å; M304-A307 HydrophobicContact CE-CB 4.09Å; M304-A307 PolarHBondContact O-N 3.29Å; M304-A307 HydrophobicContact SD-CB 4.21Å
305H80.7Confident88.5Confident73 Ų7367.1 Ų67.134%0.33834%0.339SS..THydrogen-bonded Turntrans-53.7-38.4-178.2-62.980.6000112.1V11 L303V11-H305 HydrophobicContact CG1-CB 3.61Å; V11-H305 WeakPolarHBondContact CG1-O 3.28Å; V11-H305 WeakPolarHBondContact CG2-O 3.43Å; L303-H305 PolarHBondContact O-N 3.13Å; L303-H305 PolarHBondContact O-ND1 3.2Å; L303-H305 VanDerWaalsContact O-ND1 3.17Å
306S76.4Confident88.2Confident26 Ų2669.1 Ų69.118%0.18235%0.347CS..THydrogen-bonded Turntrans-109.725.1-172.8-50.50000116.6V11 M304V11-S306 WeakPolarHBondContact CB-OG 3.49Å; V11-S306 VanDerWaalsContact CG1-OG 3.25Å; V11-S306 WeakPolarHBondContact CG1-OG 3.42Å; V11-S306 VanDerWaalsContact CG2-CB 3.45Å; V11-S306 WeakPolarHBondContact CG2-OG 3.24Å; M304-S306 PolarHBondContact O-N 2.93Å; M304-S306 VanDerWaalsContact O-N 3.15Å
307A85.4Confident88.1Confident9 Ų965.2 Ų65.27%0.07433%0.332CS..SBendtrans-64.5-45-173.900000113.3F64 T135 A291 M304F64-A307 HydrophobicContact CE1-CB 3.92Å; T135-A307 WeakPolarHBondContact CB-O 3.3Å; T135-A307 WeakPolarHBondContact CG2-O 3.29Å; T135-A307 PolarHBondContact OG1-O 3.46Å; T135-A307 VanDerWaalsContact OG1-O 3.1Å; A291-A307 HydrophobicContact CB-CB 3.21Å; M304-A307 HydrophobicContact CB-CB 3.77Å; M304-A307 HydrophobicContact CE-CB 4.09Å; M304-A307 PolarHBondContact O-N 3.29Å; M304-A307 HydrophobicContact SD-CB 4.21Å
308L89.5Confident88.2Confident25 Ų2560 Ų6013%0.13131%0.305CS..SBendtrans-129.8144.7-177.3-55.8-170.8000110.4F64 I128 A132 V137 V289F64-L308 HydrophobicContact CD1-CD1 4.27Å; F64-L308 HydrophobicContact CD1-CD2 4.5Å; F64-L308 HydrophobicContact CD1-CG 4.32Å; F64-L308 HydrophobicContact CE1-CD2 4.05Å; F64-L308 HydrophobicContact CE1-CG 4.19Å; I128-L308 HydrophobicContact CG2-CD1 4.06Å; A132-L308 VanDerWaalsContact CA-CD2 3.44Å; A132-L308 HydrophobicContact CB-CD2 3.62Å; V137-L308 HydrophobicContact CG2-CD2 4.45Å; V289-L308 HydrophobicContact CB-CD1 4.2Å; V289-L308 HydrophobicContact CG1-CD1 3.84Å; V289-L308 HydrophobicContact CG2-CD1 4.13Å
309P89Confident88.2Confident25 Ų2557 Ų5716%0.16229%0.293CS..  trans-67.6145.8173.929.6-33.7000110.7Y5 T7Y5-P309 HydrophobicContact CE1-CB 4.04Å; T7-P309 HydrophobicContact CG2-CB 4.14Å; T7-P309 HydrophobicContact CG2-CG 4.39Å
310P88.7Confident88.4Confident38 Ų3853.8 Ų53.825%0.24727%0.27CS..  trans-74.8157.8176.234.6-36.7000111.2N318 R319P310-N318 WeakPolarHBondContact CA-OD1 3.29Å; P310-R319 HydrophobicContact CB-CG 3.64Å
311I90.5Very high88.2Confident20 Ų2052.4 Ų52.410%0.10327%0.266CS..  trans-104.3126.7165.9-61.2164000106.3T124 M127 I128 Y313 T317 N318T124-I311 HydrophobicContact CG2-CD1 3.83Å; T124-I311 WeakPolarHBondContact O-CD1 3.29Å; M127-I311 HydrophobicContact CB-CD1 3.53Å; M127-I311 HydrophobicContact CB-CG1 4.1Å; M127-I311 HydrophobicContact CE-CD1 4.19Å; M127-I311 HydrophobicContact CE-CG2 3.75Å; M127-I311 HydrophobicContact SD-CG2 4.43Å; I128-I311 HydrophobicContact CD1-CD1 4.49Å; I128-I311 HydrophobicContact CG1-CD1 3.69Å; I311-Y313 HydrophobicContact CG2-CD1 4.47Å; I311-T317 WeakPolarHBondContact O-CA 3.44Å; I311-T317 PolarHBondContact O-OG1 3.14Å; I311-N318 PolarHBondContact N-OD1 3.38Å; I311-N318 PolarHBondContact O-N 3.29Å; I311-N318 PolarHBondContact O-OD1 3.13Å
312S88.3Confident87.7Confident75 Ų7554 Ų5452%0.52427%0.274SS..EExtended strand (participates in β ladder)trans-141.5139.4177.7-54.60000110F316 T317S312-F316 VanDerWaalsContact CA-O 3.25Å; S312-F316 WeakPolarHBondContact CA-O 3.34Å; S312-T317 PolarHBondContact OG-OG1 3.16Å
313Y84.9Confident87.4Confident114 Ų11463.4 Ų63.445%0.44731%0.309SS..EExtended strand (participates in β ladder)trans-147.6-176.917355.7-93.3000108.1I311 E315 F316I311-Y313 HydrophobicContact CG2-CD1 4.47Å; Y313-E315 PolarHBondContact O-N 3.16Å; Y313-F316 HydrophobicContact CD1-CB 4.25Å; Y313-F316 AromaticContact CD1-CD1 3.69Å; Y313-F316 HydrophobicContact CD1-CD1 3.69Å; Y313-F316 HydrophobicContact CD1-CE1 4.48Å; Y313-F316 HydrophobicContact CD1-CG 4.32Å; Y313-F316 HydrophobicContact CD2-CB 3.81Å; Y313-F316 HydrophobicContact CE1-CB 3.93Å; Y313-F316 AromaticContact CE1-CD1 3.06Å; Y313-F316 HydrophobicContact CE1-CD1 3.06Å; Y313-F316 AromaticContact CE1-CE1 3.64Å; Y313-F316 HydrophobicContact CE1-CE1 3.64Å; Y313-F316 AromaticContact CE1-CG 3.64Å; Y313-F316 HydrophobicContact CE1-CG 3.64Å; Y313-F316 HydrophobicContact CE2-CB 3.43Å; Y313-F316 VanDerWaalsContact CE2-CB 3.43Å; Y313-F316 HydrophobicContact CE2-CD1 4.19Å; Y313-F316 AromaticContact CE2-CG 3.89Å; Y313-F316 HydrophobicContact CE2-CG 3.89Å; Y313-F316 HydrophobicContact CG-CB 4.2Å; Y313-F316 HydrophobicContact CG-CD1 4.46Å; Y313-F316 VanDerWaalsContact CZ-CB 3.48Å; Y313-F316 AromaticContact CZ-CD1 3.35Å; Y313-F316 AromaticContact CZ-CG 3.37Å; Y313-F316 PolarHBondContact N-O 3.01Å; Y313-F316 PolarHBondContact O-N 3.18Å; Y313-F316 WeakPolarHBondContact OH-CG 3.39Å
314L83Confident87.2Confident152 Ų15263.2 Ų63.280%0.79631%0.307SS*.THydrogen-bonded Turntrans-47.2118.6-174.7-174.766.8000111.2F316L314-F316 PolarHBondContact O-N 2.74Å
315E83.9Confident87.2Confident197 Ų19761.8 Ų61.892%0.92130%0.3SS*.THydrogen-bonded Turntrans608.6179.4-60.6176.2-178.200116.8Y313Y313-E315 PolarHBondContact O-N 3.16Å
316F88.3Confident87.4Confident44 Ų4463 Ų6319%0.19331%0.308CS..EExtended strand (participates in β ladder)trans-127.6139.4-178.9-179.6-89.6000112.6P285 Y286 S312 Y313 L314 N318P285-F316 HydrophobicContact CB-CE2 4.3Å; P285-F316 HydrophobicContact CB-CZ 4.49Å; Y286-F316 WeakPolarHBondContact O-CZ 3.26Å; S312-F316 VanDerWaalsContact CA-O 3.25Å; S312-F316 WeakPolarHBondContact CA-O 3.34Å; Y313-F316 HydrophobicContact CD1-CB 4.25Å; Y313-F316 AromaticContact CD1-CD1 3.69Å; Y313-F316 HydrophobicContact CD1-CD1 3.69Å; Y313-F316 HydrophobicContact CD1-CE1 4.48Å; Y313-F316 HydrophobicContact CD1-CG 4.32Å; Y313-F316 HydrophobicContact CD2-CB 3.81Å; Y313-F316 HydrophobicContact CE1-CB 3.93Å; Y313-F316 AromaticContact CE1-CD1 3.06Å; Y313-F316 HydrophobicContact CE1-CD1 3.06Å; Y313-F316 AromaticContact CE1-CE1 3.64Å; Y313-F316 HydrophobicContact CE1-CE1 3.64Å; Y313-F316 AromaticContact CE1-CG 3.64Å; Y313-F316 HydrophobicContact CE1-CG 3.64Å; Y313-F316 HydrophobicContact CE2-CB 3.43Å; Y313-F316 VanDerWaalsContact CE2-CB 3.43Å; Y313-F316 HydrophobicContact CE2-CD1 4.19Å; Y313-F316 AromaticContact CE2-CG 3.89Å; Y313-F316 HydrophobicContact CE2-CG 3.89Å; Y313-F316 HydrophobicContact CG-CB 4.2Å; Y313-F316 HydrophobicContact CG-CD1 4.46Å; Y313-F316 VanDerWaalsContact CZ-CB 3.48Å; Y313-F316 AromaticContact CZ-CD1 3.35Å; Y313-F316 AromaticContact CZ-CG 3.37Å; Y313-F316 PolarHBondContact N-O 3.01Å; Y313-F316 PolarHBondContact O-N 3.18Å; Y313-F316 WeakPolarHBondContact OH-CG 3.39Å; L314-F316 PolarHBondContact O-N 2.74Å; F316-N318 HydrophobicContact CE1-CB 4.13Å; F316-N318 HydrophobicContact CZ-CB 4.32Å
317T90.9Very high87.9Confident47 Ų4766.2 Ų66.229%0.28832%0.317SS..EExtended strand (participates in β ladder)trans-141.1142.6162.9-1710000109.6P285 I311 S312 R319P285-T317 WeakPolarHBondContact CB-O 3.19Å; P285-T317 WeakPolarHBondContact CG-O 3.26Å; I311-T317 WeakPolarHBondContact O-CA 3.44Å; I311-T317 PolarHBondContact O-OG1 3.14Å; S312-T317 PolarHBondContact OG-OG1 3.16Å; T317-R319 HydrophobicContact CG2-CB 4.11Å; T317-R319 PolarHBondContact O-N 2.95Å; T317-R319 WeakPolarHBondContact OG1-CG 3.47Å; T317-R319 PolarHBondContact OG1-N 2.88Å
318N93.5Very high88Confident10 Ų1069.1 Ų69.15%0.05333%0.329CS..  trans-83.24172.178.8-29.7000113Y286 G287 A288 P310 I311 F316Y286-N318 WeakPolarHBondContact O-CB 3.46Å; G287-N318 PolarHBondContact O-ND2 3.49Å; A288-N318 WeakPolarHBondContact CA-O 3.48Å; A288-N318 WeakPolarHBondContact CB-O 3.25Å; P310-N318 WeakPolarHBondContact CA-OD1 3.29Å; I311-N318 PolarHBondContact N-OD1 3.38Å; I311-N318 PolarHBondContact O-N 3.29Å; I311-N318 PolarHBondContact O-OD1 3.13Å; F316-N318 HydrophobicContact CE1-CB 4.13Å; F316-N318 HydrophobicContact CZ-CB 4.32Å
319R91.1Very high87.9Confident66 Ų6671.4 Ų71.425%0.24934%0.339CS..  trans-61.7140.8177.8-71.5-176.7-176.6-161.310.3111S10 I12 P285 P310 T317S10-R319 PolarHBondContact O-NH2 2.89Å; I12-R319 PolarHBondContact O-NH1 3.32Å; P285-R319 WeakPolarHBondContact CD-O 3.47Å; P310-R319 HydrophobicContact CB-CG 3.64Å; T317-R319 HydrophobicContact CG2-CB 4.11Å; T317-R319 PolarHBondContact O-N 2.95Å; T317-R319 WeakPolarHBondContact OG1-CG 3.47Å; T317-R319 PolarHBondContact OG1-N 2.88Å
320I90.7Very high87.9Confident13 Ų1374 Ų747%0.06735%0.349CS..  trans-71151.1171.668.2177.7000110.6F284 A288 V290 F322 F325F284-I320 HydrophobicContact CD1-CB 4.08Å; F284-I320 HydrophobicContact CD1-CG2 3.7Å; F284-I320 HydrophobicContact CE1-CB 4.2Å; F284-I320 HydrophobicContact CE1-CG2 4.1Å; A288-I320 HydrophobicContact CB-CG2 3.95Å; V290-I320 HydrophobicContact CG2-CD1 3.82Å; V290-I320 HydrophobicContact CG2-CG2 4.02Å; I320-F322 HydrophobicContact CD1-CD1 3.94Å; I320-F322 HydrophobicContact CD1-CE1 3.8Å; I320-F322 HydrophobicContact CD1-CZ 4.43Å; I320-F322 HydrophobicContact CG1-CD1 3.98Å; I320-F322 HydrophobicContact CG1-CD2 4.44Å; I320-F322 HydrophobicContact CG1-CE1 3.85Å; I320-F322 HydrophobicContact CG1-CE2 4.33Å; I320-F322 HydrophobicContact CG1-CG 4.28Å; I320-F322 HydrophobicContact CG1-CZ 4.03Å; I320-F322 PolarHBondContact O-N 3.22Å; I320-F322 VanDerWaalsContact O-N 3.11Å; I320-F325 HydrophobicContact CD1-CB 4.19Å; I320-F325 HydrophobicContact CD1-CD1 4.44Å; I320-F325 HydrophobicContact CD1-CD2 4.4Å; I320-F325 HydrophobicContact CD1-CG 4.07Å
321N89.4Confident87.8Confident64 Ų6476.1 Ų76.134%0.34236%0.355SS..  trans-76.295.7167.1-175.7-35.5000109.2H283 R323 F324 F325H283-N321 HydrophobicContact CB-CB 4.08Å; H283-N321 PolarHBondContact ND1-ND2 3.08Å; H283-N321 PolarHBondContact O-N 3.25Å; N321-R323 VanDerWaalsContact C-N 3.26Å; N321-R323 PolarHBondContact O-N 3.41Å; N321-R323 PolarHBondContact OD1-N 3.16Å; N321-F324 HydrophobicContact CB-CB 4.02Å; N321-F324 PolarHBondContact O-N 3Å; N321-F324 VanDerWaalsContact O-N 3.14Å; N321-F324 PolarHBondContact OD1-N 3.12Å; N321-F325 PolarHBondContact O-N 2.7Å
322F85.6Confident87.7Confident56 Ų5679.6 Ų79.625%0.24637%0.371CS..Hα-helixtrans-58.6-34.2-178.7-68.5-78.2000113.7L303 I320 F325 N326L303-F322 HydrophobicContact CD2-CD1 3.74Å; L303-F322 HydrophobicContact CD2-CE1 3.77Å; I320-F322 HydrophobicContact CD1-CD1 3.94Å; I320-F322 HydrophobicContact CD1-CE1 3.8Å; I320-F322 HydrophobicContact CD1-CZ 4.43Å; I320-F322 HydrophobicContact CG1-CD1 3.98Å; I320-F322 HydrophobicContact CG1-CD2 4.44Å; I320-F322 HydrophobicContact CG1-CE1 3.85Å; I320-F322 HydrophobicContact CG1-CE2 4.33Å; I320-F322 HydrophobicContact CG1-CG 4.28Å; I320-F322 HydrophobicContact CG1-CZ 4.03Å; I320-F322 PolarHBondContact O-N 3.22Å; I320-F322 VanDerWaalsContact O-N 3.11Å; F322-F325 CarbonylContact O-C 3.55Å; F322-F325 PolarHBondContact O-N 3.09Å; F322-N326 VanDerWaalsContact O-CB 3.29Å; F322-N326 WeakPolarHBondContact O-CB 3.47Å; F322-N326 VanDerWaalsContact O-CG 3.3Å; F322-N326 PolarHBondContact O-N 2.97Å; F322-N326 PolarHBondContact O-ND2 2.89Å
323R84.4Confident87.6Confident225 Ų22579.9 Ų79.985%0.84936%0.361SS*.Hα-helixtrans-63.9-44.7176.9-177.2179.5178.8-179.90.1110.8N321 N326 R327N321-R323 VanDerWaalsContact C-N 3.26Å; N321-R323 PolarHBondContact O-N 3.41Å; N321-R323 PolarHBondContact OD1-N 3.16Å; R323-N326 PolarHBondContact O-N 3.31Å; R323-R327 PolarHBondContact O-N 3.43Å
324F87.9Confident87.8Confident18 Ų1877.5 Ų77.58%0.07936%0.355CS..Hα-helixtrans-66.2-45174.1-172.3-93.4000110.7D276 M280 H283 F284 N321 N326 R327D276-F324 HydrophobicContact CB-CE2 4.35Å; D276-F324 HydrophobicContact CB-CZ 4.27Å; M280-F324 HydrophobicContact CE-CE1 4.24Å; M280-F324 HydrophobicContact CE-CZ 4.28Å; M280-F324 HydrophobicContact SD-CE1 3.59Å; M280-F324 VanDerWaalsContact SD-CE1 3.59Å; M280-F324 HydrophobicContact SD-CZ 4.07Å; H283-F324 HydrophobicContact CB-CB 4.06Å; H283-F324 HydrophobicContact CB-CD1 3.49Å; H283-F324 VanDerWaalsContact CB-CD1 3.49Å; H283-F324 HydrophobicContact CB-CD2 4.43Å; H283-F324 HydrophobicContact CB-CE1 3.98Å; H283-F324 HydrophobicContact CB-CG 3.74Å; H283-F324 AromaticContact CD2-CD1 3.85Å; H283-F324 AromaticContact CD2-CD2 3.46Å; H283-F324 VanDerWaalsContact CD2-CD2 3.46Å; H283-F324 WeakPolarHBondContact CD2-CD2 3.38Å; H283-F324 AromaticContact CD2-CE1 3.78Å; H283-F324 AromaticContact CD2-CE2 3.39Å; H283-F324 WeakPolarHBondContact CD2-CE2 3.38Å; H283-F324 AromaticContact CD2-CG 3.68Å; H283-F324 AromaticContact CD2-CZ 3.54Å; H283-F324 AromaticContact CE1-CD2 3.56Å; H283-F324 AromaticContact CE1-CG 3.98Å; H283-F324 AromaticContact CG-CD1 3.57Å; H283-F324 AromaticContact CG-CD2 3.6Å; H283-F324 AromaticContact CG-CE1 3.96Å; H283-F324 AromaticContact CG-CE2 3.98Å; H283-F324 AromaticContact CG-CG 3.36Å; H283-F324 AromaticContact ND1-CD2 3.66Å; H283-F324 AromaticContact ND1-CG 3.57Å; H283-F324 AromaticContact NE2-CD2 3.45Å; H283-F324 WeakPolarHBondContact NE2-CD2 3.39Å; H283-F324 AromaticContact NE2-CE2 3.47Å; H283-F324 WeakPolarHBondContact NE2-CE2 3.39Å; F284-F324 AromaticContact CE2-CD1 3.9Å; F284-F324 HydrophobicContact CE2-CD1 3.9Å; F284-F324 AromaticContact CE2-CE1 3.87Å; F284-F324 HydrophobicContact CE2-CE1 3.87Å; F284-F324 HydrophobicContact CZ-CD1 4.28Å; N321-F324 HydrophobicContact CB-CB 4.02Å; N321-F324 PolarHBondContact O-N 3Å; N321-F324 VanDerWaalsContact O-N 3.14Å; N321-F324 PolarHBondContact OD1-N 3.12Å; F324-N326 PolarHBondContact O-N 3.37Å; F324-R327 VanDerWaalsContact CD1-NH1 3.34Å; F324-R327 WeakPolarHBondContact O-CB 3.47Å; F324-R327 VanDerWaalsContact O-CD 3.31Å; F324-R327 WeakPolarHBondContact O-CD 3.21Å; F324-R327 WeakPolarHBondContact O-CG 3.45Å; F324-R327 PolarHBondContact O-N 3.25Å; F324-R327 PolarHBondContact O-NH1 3.09Å
325F88.6Confident88.2Confident1 Ų171.8 Ų71.80%0.00432%0.321CS..Hα-helixtrans-64.1-22.2178.2-176.1-93000113.6S261 I265 K267 F284 V290 L292 L303 I320 N321 F322S261-F325 VanDerWaalsContact OG-CE2 3.28Å; S261-F325 WeakPolarHBondContact OG-CE2 3.37Å; I265-F325 HydrophobicContact CD1-CE1 3.62Å; I265-F325 HydrophobicContact CD1-CZ 3.59Å; K267-F325 WeakPolarHBondContact CE-O 3.23Å; K267-F325 VanDerWaalsContact NZ-C 3.35Å; K267-F325 PolarHBondContact NZ-O 2.74Å; F284-F325 HydrophobicContact CE1-CB 4.49Å; F284-F325 AromaticContact CE1-CD2 3.83Å; F284-F325 HydrophobicContact CE1-CD2 3.83Å; F284-F325 HydrophobicContact CZ-CB 4.44Å; F284-F325 AromaticContact CZ-CD2 3.89Å; F284-F325 HydrophobicContact CZ-CD2 3.89Å; V290-F325 HydrophobicContact CB-CE2 4.35Å; V290-F325 HydrophobicContact CG1-CE1 4.48Å; V290-F325 HydrophobicContact CG1-CE2 3.63Å; V290-F325 HydrophobicContact CG1-CZ 3.58Å; V290-F325 HydrophobicContact CG2-CD2 3.98Å; V290-F325 HydrophobicContact CG2-CE2 3.74Å; V290-F325 HydrophobicContact CG2-CZ 4.44Å; L292-F325 HydrophobicContact CD2-CZ 4.35Å; L303-F325 HydrophobicContact CB-CE1 4.4Å; L303-F325 HydrophobicContact CD1-CD1 4.36Å; L303-F325 HydrophobicContact CD1-CE1 3.78Å; L303-F325 HydrophobicContact CD1-CZ 4.18Å; L303-F325 HydrophobicContact CD2-CD1 3.87Å; L303-F325 HydrophobicContact CD2-CE1 3.89Å; L303-F325 HydrophobicContact CG-CE1 4.26Å; I320-F325 HydrophobicContact CD1-CB 4.19Å; I320-F325 HydrophobicContact CD1-CD1 4.44Å; I320-F325 HydrophobicContact CD1-CD2 4.4Å; I320-F325 HydrophobicContact CD1-CG 4.07Å; N321-F325 PolarHBondContact O-N 2.7Å; F322-F325 CarbonylContact O-C 3.55Å; F322-F325 PolarHBondContact O-N 3.09Å
326N84.9Confident88.5Confident97 Ų9761.3 Ų61.352%0.51927%0.271SS..THydrogen-bonded Turntrans-99.33.3179-70.7-23.2000114.1F322 R323 F324F322-N326 VanDerWaalsContact O-CB 3.29Å; F322-N326 WeakPolarHBondContact O-CB 3.47Å; F322-N326 VanDerWaalsContact O-CG 3.3Å; F322-N326 PolarHBondContact O-N 2.97Å; F322-N326 PolarHBondContact O-ND2 2.89Å; R323-N326 PolarHBondContact O-N 3.31Å; F324-N326 PolarHBondContact O-N 3.37Å
327R87.3Confident88.6Confident95 Ų9562.9 Ų62.936%0.35828%0.278SS..  trans-63.30179.181.2-166178.4-66.72.5114.7D258 K267 R323 F324D258-R327 IonicContact OD1-CZ 3.83Å; D258-R327 IonicContact OD1-NH1 3.69Å; D258-R327 PolarHBondContact OD1-NH1 3.42Å; D258-R327 IonicContact OD1-NH2 3.58Å; D258-R327 PolarHBondContact OD1-NH2 3.4Å; D258-R327 VanDerWaalsContact OD1-NH2 3.07Å; D258-R327 IonicContact OD2-CZ 3.85Å; D258-R327 IonicContact OD2-NH1 2.78Å; D258-R327 IonicContact OD2-NH2 2.97Å; D258-R327 PolarHBondContact OD2-NH2 2.83Å; K267-R327 PolarHBondContact NZ-O 2.95Å; R323-R327 PolarHBondContact O-N 3.43Å; F324-R327 VanDerWaalsContact CD1-NH1 3.34Å; F324-R327 WeakPolarHBondContact O-CB 3.47Å; F324-R327 VanDerWaalsContact O-CD 3.31Å; F324-R327 WeakPolarHBondContact O-CD 3.21Å; F324-R327 WeakPolarHBondContact O-CG 3.45Å; F324-R327 PolarHBondContact O-N 3.25Å; F324-R327 PolarHBondContact O-NH1 3.09Å

Retrieved 327 of 327 residues in 681.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).