A0A077ZF39_TRITR Loading...

PDEase I domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZF39, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 239 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low40.8Very low232 Ų232106.2 Ų106.2100%1.14358%0.576SS**  0490-71.1178.6178.600110.1G3M1-G3 PolarHBondContact O-N 3.23Å
2N33.7Very low41.3Very low153 Ų153106.3 Ų106.382%0.81857%0.567SS**  trans-9817.9-167.2-66.95.6000114.5C4N2-C4 VanDerWaalsContact C-N 3.31Å; N2-C4 PolarHBondContact O-N 3.15Å
3G35Very low41.7Very low62 Ų6299.7 Ų99.764%0.63953%0.53SS*.THydrogen-bonded Turntrans-79.40.9-173.100000116.5M1M1-G3 PolarHBondContact O-N 3.23Å
4C36.3Very low42.2Very low90 Ų90103.5 Ų103.561%0.60854%0.543SS*.THydrogen-bonded Turntrans-99.7-16-173.6-162.70000114.1N2N2-C4 VanDerWaalsContact C-N 3.31Å; N2-C4 PolarHBondContact O-N 3.15Å
5G37.4Very low42.2Very low42 Ų42104.3 Ų104.343%0.43355%0.547SS..Hα-helixtrans-70.1-43.1-17800000113.6I7 Q8 G9G5-I7 PolarHBondContact O-N 2.86Å; G5-Q8 PolarHBondContact O-N 3.08Å; G5-G9 PolarHBondContact O-N 3.29Å
6S47.6Very low42.4Very low33 Ų3399.8 Ų99.823%0.23153%0.525CS..Hα-helixtrans-65.8-36.7-172.461.10000114.2Q8 G9S6-Q8 VanDerWaalsContact C-N 3.35Å; S6-G9 PolarHBondContact O-N 2.67Å
7I45.9Very low42.8Very low115 Ų11596.1 Ų96.159%0.5950%0.504SS*.Hα-helixtrans-71.3-31.1178.7-62.1175.4000111.4G5 G9 F10 R11G5-I7 PolarHBondContact O-N 2.86Å; I7-G9 VanDerWaalsContact C-N 3.31Å; I7-G9 PolarHBondContact O-N 3.49Å; I7-F10 PolarHBondContact O-N 3.29Å; I7-R11 PolarHBondContact O-N 3.09Å
8Q42.3Very low42.8Very low135 Ų13595.4 Ų95.463%0.63150%0.501SS*.Hα-helixtrans-67.5-33.9176.8-73.4-170.2-9.600112.1G5 S6 F10 R11G5-Q8 PolarHBondContact O-N 3.08Å; S6-Q8 VanDerWaalsContact C-N 3.35Å; Q8-F10 VanDerWaalsContact C-N 3.34Å; Q8-F10 PolarHBondContact O-N 2.81Å; Q8-R11 PolarHBondContact O-N 2.98Å
9G45.1Very low42.7Very low4 Ų496.3 Ų96.34%0.04151%0.506CS..Hα-helixtrans-64.2-37.2177.500000113.8G5 S6 I7 E121G5-G9 PolarHBondContact O-N 3.29Å; S6-G9 PolarHBondContact O-N 2.67Å; I7-G9 VanDerWaalsContact C-N 3.31Å; I7-G9 PolarHBondContact O-N 3.49Å; G9-E121 WeakPolarHBondContact CA-O 3.46Å
10F45.4Very low42.6Very low107 Ų10797.8 Ų97.847%0.46952%0.521SS..Hα-helixtrans-71.1-41.4178.6-152.7-93.1000112.5I7 Q8 K12 Y13 F124I7-F10 PolarHBondContact O-N 3.29Å; Q8-F10 VanDerWaalsContact C-N 3.34Å; Q8-F10 PolarHBondContact O-N 2.81Å; F10-K12 PolarHBondContact O-N 3.11Å; F10-Y13 WeakPolarHBondContact O-CB 3.41Å; F10-Y13 PolarHBondContact O-N 3.39Å; F10-F124 HydrophobicContact CD2-CB 4.37Å; F10-F124 HydrophobicContact CD2-CD1 4.06Å; F10-F124 AromaticContact CD2-CD2 3.89Å; F10-F124 HydrophobicContact CD2-CD2 3.89Å; F10-F124 HydrophobicContact CD2-CE1 4.29Å; F10-F124 HydrophobicContact CD2-CE2 4.12Å; F10-F124 AromaticContact CD2-CG 3.85Å; F10-F124 HydrophobicContact CD2-CG 3.85Å; F10-F124 HydrophobicContact CD2-CZ 4.31Å; F10-F124 HydrophobicContact CE2-CD2 4.29Å; F10-F124 HydrophobicContact CE2-CE1 4.36Å; F10-F124 HydrophobicContact CE2-CE2 4.05Å; F10-F124 HydrophobicContact CE2-CZ 4.09Å
11R46.1Very low42.5Very low195 Ų19599.1 Ų99.174%0.73653%0.529SS*.Hα-helixtrans-61.6-27.5179.5-87.6-168.3-178.2-168.81114.2I7 Q8 Y13I7-R11 PolarHBondContact O-N 3.09Å; Q8-R11 PolarHBondContact O-N 2.98Å; R11-Y13 VanDerWaalsContact C-N 3.34Å
12K46.9Very low42.8Very low107 Ų10799.9 Ų99.947%0.46552%0.519SS..Hα-helixtrans-77.8-20.3176.5-88.9-179.9175.9175.40113.1F10 E14 L15 E121 N122F10-K12 PolarHBondContact O-N 3.11Å; K12-E14 VanDerWaalsContact C-N 3.26Å; K12-E14 PolarHBondContact O-N 3.29Å; K12-L15 WeakPolarHBondContact O-CB 3.43Å; K12-L15 PolarHBondContact O-N 3.12Å; K12-E121 HydrophobicContact CD-CG 4.18Å; K12-N122 VanDerWaalsContact CB-OD1 3.28Å; K12-N122 WeakPolarHBondContact CB-OD1 3.26Å
13Y45.9Very low43.2Very low21 Ų2195.3 Ų95.38%0.08250%0.499CS..Hα-helixtrans-67-27.6179-175.8-97.3000112.6F10 R11 L15 V16 A74 I75 L117F10-Y13 WeakPolarHBondContact O-CB 3.41Å; F10-Y13 PolarHBondContact O-N 3.39Å; R11-Y13 VanDerWaalsContact C-N 3.34Å; Y13-L15 PolarHBondContact O-N 3.45Å; Y13-V16 HydrophobicContact CD2-CG2 4.05Å; Y13-V16 HydrophobicContact CE2-CG2 4.38Å; Y13-V16 WeakPolarHBondContact O-CG2 3.46Å; Y13-V16 PolarHBondContact O-N 2.91Å; Y13-V16 VanDerWaalsContact O-N 3.1Å; Y13-A74 HydrophobicContact CE1-CB 3.98Å; Y13-A74 PolarHBondContact OH-O 2.78Å; Y13-I75 HydrophobicContact CE1-CG2 4.25Å; Y13-I75 HydrophobicContact CE2-CG2 3.96Å; Y13-I75 VanDerWaalsContact CZ-CG2 3.45Å; Y13-I75 WeakPolarHBondContact OH-CA 3.32Å; Y13-I75 WeakPolarHBondContact OH-CB 3.48Å; Y13-I75 WeakPolarHBondContact OH-CG2 3.22Å; Y13-L117 HydrophobicContact CD2-CD1 4.3Å; Y13-L117 HydrophobicContact CD2-CD2 3.64Å; Y13-L117 HydrophobicContact CD2-CG 4.01Å; Y13-L117 HydrophobicContact CE2-CD1 4.09Å; Y13-L117 HydrophobicContact CE2-CD2 4.25Å; Y13-L117 HydrophobicContact CE2-CG 4.15Å; Y13-L117 HydrophobicContact CG-CD2 4.34Å
14E48.3Very low43.9Very low153 Ų15393.4 Ų93.472%0.71548%0.477SS*.THydrogen-bonded Turntrans-57.4-17.7173.5-73.6-175.413700113.3K12K12-E14 VanDerWaalsContact C-N 3.26Å; K12-E14 PolarHBondContact O-N 3.29Å
15L42.4Very low45.1Very low116 Ų11695.8 Ų95.861%0.60748%0.477SS*.THydrogen-bonded Turntrans-89.4-7.3-180-77.5157.7000115.1K12 Y13 Q17 D18K12-L15 WeakPolarHBondContact O-CB 3.43Å; K12-L15 PolarHBondContact O-N 3.12Å; Y13-L15 PolarHBondContact O-N 3.45Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; L15-Q17 PolarHBondContact O-N 2.95Å; L15-D18 PolarHBondContact O-N 3.23Å
16V45.8Very low46.4Very low32 Ų3295 Ų9519%0.19446%0.463CS..THydrogen-bonded Turntrans-84.2-13.4-169.7-159.30000112.6Y13 H78 V116Y13-V16 HydrophobicContact CD2-CG2 4.05Å; Y13-V16 HydrophobicContact CE2-CG2 4.38Å; Y13-V16 WeakPolarHBondContact O-CG2 3.46Å; Y13-V16 PolarHBondContact O-N 2.91Å; Y13-V16 VanDerWaalsContact O-N 3.1Å; V16-H78 WeakPolarHBondContact CG1-NE2 3.4Å; V16-V116 HydrophobicContact CB-CG1 4.43Å; V16-V116 HydrophobicContact CG1-CB 4.18Å; V16-V116 HydrophobicContact CG1-CG1 3.89Å; V16-V116 HydrophobicContact CG1-CG2 3.82Å; V16-V116 HydrophobicContact CG2-CG1 3.56Å
17Q49.3Very low47.7Very low37 Ų3795 Ų9517%0.17346%0.459CS..THydrogen-bonded Turntrans-95-0.2174.5-63.8-15317.100114.1L15 L19 N28 R29 A74L15-Q17 VanDerWaalsContact C-N 3.33Å; L15-Q17 PolarHBondContact O-N 2.95Å; Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 3.36Å; Q17-N28 PolarHBondContact OE1-O 3.24Å; Q17-R29 HydrophobicContact CB-CB 3.73Å; Q17-A74 PolarHBondContact NE2-O 3.14Å
18D43Very low49.2Very low84 Ų8491.7 Ų91.745%0.44944%0.443SS..  trans-82.974.2173.5-85.3-25.7000110.7L15 R29L15-D18 PolarHBondContact O-N 3.23Å; D18-R29 IonicContact OD1-CZ 2.73Å; D18-R29 VanDerWaalsContact OD1-CZ 3.29Å; D18-R29 IonicContact OD1-NE 3.4Å; D18-R29 PolarHBondContact OD1-NE 3.24Å; D18-R29 IonicContact OD1-NH2 3.91Å; D18-R29 PolarHBondContact OD1-NH2 3.38Å
19L40.4Very low51.1Low112 Ų11291.3 Ų91.359%0.58644%0.435SS*.  trans-98.4137.3160.2-74.4175.8000110.4Q17 N21 D79Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 3.36Å; L19-N21 PolarHBondContact O-N 3.05Å; L19-D79 WeakPolarHBondContact CD1-OD1 3.01Å
20P40.1Very low52.9Low125 Ų12595.8 Ų95.881%0.81246%0.462SS*.  trans-75.211.5-167.216-7.9000114.5R22P20-R22 PolarHBondContact O-N 2.93Å
21N41Very low54.7Low127 Ų12793.4 Ų93.468%0.67945%0.452SS*.  trans-87.6110.8-174.2-101.4-15.8000111L19 S23L19-N21 PolarHBondContact O-N 3.05Å; N21-S23 PolarHBondContact O-N 2.86Å
22R40.4Very low56.3Low247 Ų24784.3 Ų84.393%0.93242%0.418SS*.THydrogen-bonded Turntrans-53.36.2170.2-68.6-179.6171.9-160.1-2.7115.1P20P20-R22 PolarHBondContact O-N 2.93Å
23S42.3Very low58.2Low57 Ų5782.7 Ų82.740%0.39942%0.421SS..THydrogen-bonded Turntrans-101.6-2-171.460.20000115.2N21N21-S23 PolarHBondContact O-N 2.86Å
24A50.9Low59.9Low22 Ų2286.1 Ų86.118%0.18244%0.44CS..  trans-109.663.2172.600000110.5D26 H27 N28A24-D26 PolarHBondContact O-N 3.32Å; A24-H27 WeakPolarHBondContact CB-O 3.43Å; A24-N28 WeakPolarHBondContact O-CB 3.5Å; A24-N28 PolarHBondContact O-ND2 3.49Å
25K60.6Low61.7Low141 Ų14180.8 Ų80.861%0.61342%0.418SS*.SBendtrans-60.2-24.6-179.4-107.2-176.7174.8-175.30113.5N28K25-N28 VanDerWaalsContact C-ND2 3.33Å; K25-N28 PolarHBondContact O-ND2 3.48Å
26D64.1Low63.9Low24 Ų2477.9 Ų77.913%0.12840%0.403CS..SBendtrans-121-20.5-174.3-41.8-29000113.4A24 H31 A178 L179 K182A24-D26 PolarHBondContact O-N 3.32Å; D26-H31 WeakPolarHBondContact O-CB 3.25Å; D26-A178 HydrophobicContact CB-CB 4.34Å; D26-A178 VanDerWaalsContact CG-CB 3.44Å; D26-A178 WeakPolarHBondContact OD1-CA 3.34Å; D26-A178 WeakPolarHBondContact OD1-CB 3.31Å; D26-L179 WeakPolarHBondContact OD2-CA 3.35Å; D26-L179 PolarHBondContact OD2-N 3.31Å; D26-K182 WeakPolarHBondContact OD2-CB 3.4Å
27H75.2Confident65.9Low35 Ų3581.7 Ų81.716%0.16242%0.418CS..SBendtrans-112.566.7178.2-60.7-86.5000109.8A24 D77 H80 K182A24-H27 WeakPolarHBondContact CB-O 3.43Å; H27-D77 HydrophobicContact CB-CB 4.33Å; H27-D77 IonicContact CE1-OD2 3.88Å; H27-D77 IonicContact CG-OD2 2.62Å; H27-D77 IonicContact ND1-OD1 3.25Å; H27-D77 PolarHBondContact ND1-OD1 3.45Å; H27-D77 IonicContact ND1-OD2 2.64Å; H27-D77 PolarHBondContact ND1-OD2 3.3Å; H27-H80 HydrophobicContact CB-CB 3.64Å; H27-H80 VanDerWaalsContact CB-CG 3.47Å; H27-H80 AromaticContact CD2-CE1 3.82Å; H27-H80 AromaticContact CD2-ND1 3.96Å; H27-H80 AromaticContact CD2-NE2 3.96Å; H27-H80 AromaticContact CG-CD2 3.69Å; H27-H80 AromaticContact CG-CE1 3.94Å; H27-H80 AromaticContact CG-CG 3.69Å; H27-H80 AromaticContact CG-ND1 3.79Å; H27-H80 AromaticContact CG-NE2 3.86Å; H27-H80 AromaticContact ND1-CD2 3.76Å; H27-H80 AromaticContact ND1-NE2 3.98Å; H27-K182 PolarHBondContact CD2-NZ 2.76Å; H27-K182 PolarHBondContact NE2-NZ 3.05Å
28N77.4Confident67.5Low45 Ų4581.9 Ų81.924%0.24143%0.426CS..SBendtrans-130-177.5-178.360.957.7000110.5Q17 A24 K25 V30 H31 A32Q17-N28 PolarHBondContact OE1-O 3.24Å; A24-N28 WeakPolarHBondContact O-CB 3.5Å; A24-N28 PolarHBondContact O-ND2 3.49Å; K25-N28 VanDerWaalsContact C-ND2 3.33Å; K25-N28 PolarHBondContact O-ND2 3.48Å; N28-V30 PolarHBondContact O-N 3.4Å; N28-V30 VanDerWaalsContact O-N 3.16Å; N28-V30 WeakPolarHBondContact OD1-CA 3.43Å; N28-V30 VanDerWaalsContact OD1-CB 3.27Å; N28-V30 WeakPolarHBondContact OD1-CB 3.25Å; N28-V30 PolarHBondContact OD1-N 3.42Å; N28-H31 WeakPolarHBondContact O-CB 3.35Å; N28-H31 PolarHBondContact O-N 3.39Å; N28-H31 VanDerWaalsContact O-N 3.08Å; N28-H31 PolarHBondContact OD1-N 2.86Å; N28-A32 PolarHBondContact O-N 3.14Å
29R81.6Confident69.6Low126 Ų12679.1 Ų79.148%0.47541%0.413SS..Hα-helixtrans-58.6-27.4-179.561.9175.3143.778-2.6115.8Q17 D18 S33Q17-R29 HydrophobicContact CB-CB 3.73Å; D18-R29 IonicContact OD1-CZ 2.73Å; D18-R29 VanDerWaalsContact OD1-CZ 3.29Å; D18-R29 IonicContact OD1-NE 3.4Å; D18-R29 PolarHBondContact OD1-NE 3.24Å; D18-R29 IonicContact OD1-NH2 3.91Å; D18-R29 PolarHBondContact OD1-NH2 3.38Å; R29-S33 VanDerWaalsContact O-CB 3.29Å; R29-S33 WeakPolarHBondContact O-CB 3.13Å; R29-S33 PolarHBondContact O-N 3.1Å; R29-S33 PolarHBondContact O-OG 3.5Å
30V83.1Confident71.8Confident99 Ų9979.4 Ų79.460%0.641%0.407SS*.Hα-helixtrans-69.2-46.9176.7-177.90000109.3N28 S33 D34N28-V30 PolarHBondContact O-N 3.4Å; N28-V30 VanDerWaalsContact O-N 3.16Å; N28-V30 WeakPolarHBondContact OD1-CA 3.43Å; N28-V30 VanDerWaalsContact OD1-CB 3.27Å; N28-V30 WeakPolarHBondContact OD1-CB 3.25Å; N28-V30 PolarHBondContact OD1-N 3.42Å; V30-S33 PolarHBondContact O-N 3.44Å; V30-D34 WeakPolarHBondContact O-CB 3.48Å; V30-D34 PolarHBondContact O-N 3.22Å
31H83.1Confident74.1Confident56 Ų5677.3 Ų77.326%0.25939%0.386SS..Hα-helixtrans-60.1-46.6173.8169.866.9000112.1D26 N28 S33 D34 V35 H76 D77D26-H31 WeakPolarHBondContact O-CB 3.25Å; N28-H31 WeakPolarHBondContact O-CB 3.35Å; N28-H31 PolarHBondContact O-N 3.39Å; N28-H31 VanDerWaalsContact O-N 3.08Å; N28-H31 PolarHBondContact OD1-N 2.86Å; H31-S33 VanDerWaalsContact C-N 3.32Å; H31-S33 PolarHBondContact O-N 3.21Å; H31-D34 PolarHBondContact O-N 3.49Å; H31-D34 VanDerWaalsContact O-N 3.12Å; H31-V35 VanDerWaalsContact CE1-CG2 3.44Å; H31-V35 WeakPolarHBondContact CE1-CG2 3.26Å; H31-V35 WeakPolarHBondContact O-CG2 3.37Å; H31-V35 PolarHBondContact O-N 2.99Å; H31-H76 AromaticContact CD2-CE1 3.72Å; H31-H76 AromaticContact CD2-NE2 3.77Å; H31-H76 AromaticContact CE1-NE2 3.96Å; H31-H76 AromaticContact NE2-CE1 3.32Å; H31-H76 PolarHBondContact NE2-CE1 3.01Å; H31-H76 VanDerWaalsContact NE2-CE1 3.32Å; H31-H76 AromaticContact NE2-NE2 3.01Å; H31-H76 PolarHBondContact NE2-NE2 3.2Å; H31-D77 IonicContact CD2-OD2 3.44Å; H31-D77 PolarHBondContact CD2-OD2 3.38Å; H31-D77 IonicContact NE2-OD2 3.03Å; H31-D77 PolarHBondContact NE2-OD2 3.16Å
32A81.2Confident76.1Confident4 Ų474.4 Ų74.43%0.03337%0.37CS..Hα-helixtrans-61.3-39.8177.300000112.7N28 L36N28-A32 PolarHBondContact O-N 3.14Å; A32-L36 VanDerWaalsContact O-CB 3.29Å; A32-L36 WeakPolarHBondContact O-CB 3.49Å; A32-L36 PolarHBondContact O-N 3.38Å
33S86.1Confident78.1Confident73 Ų7363.1 Ų63.151%0.5133%0.328SS..Hα-helixtrans-66.4-36.2174.3-69.80000112.7R29 V30 H31 H37R29-S33 VanDerWaalsContact O-CB 3.29Å; R29-S33 WeakPolarHBondContact O-CB 3.13Å; R29-S33 PolarHBondContact O-N 3.1Å; R29-S33 PolarHBondContact O-OG 3.5Å; V30-S33 PolarHBondContact O-N 3.44Å; H31-S33 VanDerWaalsContact C-N 3.32Å; H31-S33 PolarHBondContact O-N 3.21Å; S33-H37 VanDerWaalsContact O-CB 3.28Å; S33-H37 WeakPolarHBondContact O-CB 3.21Å; S33-H37 PolarHBondContact O-N 3.11Å
34D82.2Confident80.1Confident93 Ų9363.1 Ų63.150%0.49733%0.326SS..Hα-helixtrans-68.1-46.5177.7-169.346.5000111.4V30 H31 L36 H37 A38V30-D34 WeakPolarHBondContact O-CB 3.48Å; V30-D34 PolarHBondContact O-N 3.22Å; H31-D34 PolarHBondContact O-N 3.49Å; H31-D34 VanDerWaalsContact O-N 3.12Å; D34-L36 VanDerWaalsContact C-N 3.33Å; D34-L36 PolarHBondContact O-N 2.9Å; D34-H37 PolarHBondContact O-N 2.89Å; D34-H37 VanDerWaalsContact O-N 3.16Å; D34-A38 WeakPolarHBondContact O-CB 3.31Å; D34-A38 PolarHBondContact O-N 3.11Å
35V86.5Confident81.7Confident41 Ų4165.6 Ų65.625%0.24833%0.334CS..Hα-helixtrans-61.2-41.6174.2177.30000111.4H31 A38 C39 A73H31-V35 VanDerWaalsContact CE1-CG2 3.44Å; H31-V35 WeakPolarHBondContact CE1-CG2 3.26Å; H31-V35 WeakPolarHBondContact O-CG2 3.37Å; H31-V35 PolarHBondContact O-N 2.99Å; V35-A38 PolarHBondContact O-N 3.04Å; V35-C39 PolarHBondContact O-N 2.97Å; V35-C39 PolarHBondContact O-SG 3.35Å; V35-A73 HydrophobicContact CG1-CB 4.05Å
36L86.8Confident82.6Confident56 Ų5663.1 Ų63.129%0.29332%0.32SS..Hα-helixtrans-60.2-47.3173.917262.8000111.4A32 D34 C39 Y40 Y70 A73 A74A32-L36 VanDerWaalsContact O-CB 3.29Å; A32-L36 WeakPolarHBondContact O-CB 3.49Å; A32-L36 PolarHBondContact O-N 3.38Å; D34-L36 VanDerWaalsContact C-N 3.33Å; D34-L36 PolarHBondContact O-N 2.9Å; L36-C39 PolarHBondContact O-N 3.29Å; L36-Y40 PolarHBondContact O-N 3.03Å; L36-Y70 HydrophobicContact CD1-CD1 4.35Å; L36-Y70 HydrophobicContact CD1-CG 4.19Å; L36-Y70 WeakPolarHBondContact CD1-O 3.35Å; L36-A73 HydrophobicContact CB-CB 4.19Å; L36-A73 HydrophobicContact CD1-CB 4.33Å; L36-A74 HydrophobicContact CD2-CB 4.49Å
37H88Confident83.3Confident111 Ų11162 Ų6251%0.51432%0.315SS..Hα-helixtrans-63.3-41.4178.5178.7-94.8000111.7S33 D34 Y40 F41S33-H37 VanDerWaalsContact O-CB 3.28Å; S33-H37 WeakPolarHBondContact O-CB 3.21Å; S33-H37 PolarHBondContact O-N 3.11Å; D34-H37 PolarHBondContact O-N 2.89Å; D34-H37 VanDerWaalsContact O-N 3.16Å; H37-Y40 PolarHBondContact O-N 3.49Å; H37-F41 WeakPolarHBondContact O-CB 3.46Å; H37-F41 PolarHBondContact O-N 3.49Å
38A84.7Confident83.6Confident41 Ų4163 Ų6334%0.33932%0.324SS..Hα-helixtrans-61.6-44.7175.100000111.7D34 V35 Y40 F41 L42D34-A38 WeakPolarHBondContact O-CB 3.31Å; D34-A38 PolarHBondContact O-N 3.11Å; V35-A38 PolarHBondContact O-N 3.04Å; A38-Y40 PolarHBondContact O-N 3.05Å; A38-F41 PolarHBondContact O-N 2.73Å; A38-L42 WeakPolarHBondContact O-CB 3.27Å; A38-L42 VanDerWaalsContact O-CG 3.27Å; A38-L42 WeakPolarHBondContact O-CG 3.43Å; A38-L42 PolarHBondContact O-N 2.79Å
39C85.4Confident83.7Confident26 Ų2662.9 Ų62.918%0.17633%0.329CS..Hα-helixtrans-61.6-43.6175.7-67.60000111.8V35 L36 T43 L69 Y70 A73V35-C39 PolarHBondContact O-N 2.97Å; V35-C39 PolarHBondContact O-SG 3.35Å; L36-C39 PolarHBondContact O-N 3.29Å; C39-T43 WeakPolarHBondContact O-CB 3.41Å; C39-T43 WeakPolarHBondContact O-CG2 3.18Å; C39-T43 PolarHBondContact O-N 3.34Å; C39-T43 PolarHBondContact O-OG1 3.46Å; C39-L69 HydrophobicContact CB-CD2 4.38Å; C39-L69 HydrophobicContact CB-CG 4.26Å; C39-Y70 HydrophobicContact CB-CD1 4.27Å; C39-Y70 HydrophobicContact CB-CE1 4.43Å; C39-A73 HydrophobicContact CB-CB 4.5Å
40Y87.9Confident83.5Confident118 Ų11859 Ų5946%0.46332%0.315SS..Hα-helixtrans-60.2-52174.2175.4-96.2000110.6L36 H37 A38 L42 T43 T44 Y70L36-Y40 PolarHBondContact O-N 3.03Å; H37-Y40 PolarHBondContact O-N 3.49Å; A38-Y40 PolarHBondContact O-N 3.05Å; Y40-L42 PolarHBondContact O-N 3.48Å; Y40-T43 PolarHBondContact O-N 3.25Å; Y40-T43 VanDerWaalsContact O-N 3.13Å; Y40-T43 PolarHBondContact O-OG1 3.5Å; Y40-T43 VanDerWaalsContact O-OG1 3.14Å; Y40-T44 HydrophobicContact CD2-CG2 3.86Å; Y40-T44 HydrophobicContact CE2-CG2 3.64Å; Y40-T44 HydrophobicContact CG-CG2 4.43Å; Y40-T44 WeakPolarHBondContact O-CG2 3.44Å; Y40-T44 PolarHBondContact O-N 3.39Å; Y40-T44 PolarHBondContact O-OG1 3.48Å; Y40-Y70 HydrophobicContact CD2-CE2 4.41Å
41F88Confident83.2Confident81 Ų8156.7 Ų56.736%0.35531%0.306SS..Hα-helixtrans-55.3-51.7-179.2-175.2-84.4000111.6H37 A38 T43 T44 H45 P234H37-F41 WeakPolarHBondContact O-CB 3.46Å; H37-F41 PolarHBondContact O-N 3.49Å; A38-F41 PolarHBondContact O-N 2.73Å; F41-T43 VanDerWaalsContact C-N 3.25Å; F41-T43 PolarHBondContact O-N 2.92Å; F41-T44 PolarHBondContact O-N 2.72Å; F41-H45 WeakPolarHBondContact CA-ND1 3.34Å; F41-H45 HydrophobicContact CD1-CB 4.49Å; F41-H45 AromaticContact CD2-CD2 3.78Å; F41-H45 AromaticContact CD2-CE1 3.12Å; F41-H45 WeakPolarHBondContact CD2-CE1 3.48Å; F41-H45 AromaticContact CD2-CG 3.73Å; F41-H45 AromaticContact CD2-ND1 3.33Å; F41-H45 VanDerWaalsContact CD2-ND1 3.33Å; F41-H45 WeakPolarHBondContact CD2-ND1 3.47Å; F41-H45 AromaticContact CD2-NE2 3.42Å; F41-H45 WeakPolarHBondContact CD2-NE2 3.39Å; F41-H45 HydrophobicContact CE1-CB 4.26Å; F41-H45 AromaticContact CE2-CD2 3.3Å; F41-H45 WeakPolarHBondContact CE2-CD2 3.33Å; F41-H45 AromaticContact CE2-CE1 3.49Å; F41-H45 VanDerWaalsContact CE2-CE1 3.49Å; F41-H45 WeakPolarHBondContact CE2-CE1 3.43Å; F41-H45 AromaticContact CE2-CG 3.58Å; F41-H45 AromaticContact CE2-ND1 3.7Å; F41-H45 AromaticContact CE2-NE2 3.25Å; F41-H45 VanDerWaalsContact CE2-NE2 3.25Å; F41-H45 WeakPolarHBondContact CE2-NE2 3.46Å; F41-H45 AromaticContact CG-CE1 3.81Å; F41-H45 AromaticContact CG-ND1 3.57Å; F41-H45 HydrophobicContact CZ-CB 4.26Å; F41-H45 AromaticContact CZ-CD2 3.7Å; F41-H45 AromaticContact CZ-CG 3.78Å; F41-H45 VanDerWaalsContact O-CB 3.28Å; F41-H45 WeakPolarHBondContact O-CB 3.44Å; F41-H45 PolarHBondContact O-N 2.97Å; F41-H45 PolarHBondContact O-ND1 3.33Å; F41-P234 HydrophobicContact CD1-CG 4.22Å; F41-P234 HydrophobicContact CE1-CB 4.03Å; F41-P234 HydrophobicContact CE1-CG 4.01Å
42L81.8Confident83Confident67 Ų6761.9 Ų61.935%0.35134%0.336SS..Hα-helixtrans-61.7-31-179.4-71.8172.8000113.4A38 Y40 L57 L233 P234A38-L42 WeakPolarHBondContact O-CB 3.27Å; A38-L42 VanDerWaalsContact O-CG 3.27Å; A38-L42 WeakPolarHBondContact O-CG 3.43Å; A38-L42 PolarHBondContact O-N 2.79Å; Y40-L42 PolarHBondContact O-N 3.48Å; L42-L57 WeakPolarHBondContact O-CD2 3.39Å; L42-L233 HydrophobicContact CD2-CD2 4.29Å; L42-P234 HydrophobicContact CD2-CG 4.1Å
43T82.5Confident82.8Confident9 Ų967.1 Ų67.16%0.05536%0.356CS..Hα-helixtrans-91.8-22.7-176.851.20000113.8C39 Y40 F41 S58 F61 L66 L69 Y70C39-T43 WeakPolarHBondContact O-CB 3.41Å; C39-T43 WeakPolarHBondContact O-CG2 3.18Å; C39-T43 PolarHBondContact O-N 3.34Å; C39-T43 PolarHBondContact O-OG1 3.46Å; Y40-T43 PolarHBondContact O-N 3.25Å; Y40-T43 VanDerWaalsContact O-N 3.13Å; Y40-T43 PolarHBondContact O-OG1 3.5Å; Y40-T43 VanDerWaalsContact O-OG1 3.14Å; F41-T43 VanDerWaalsContact C-N 3.25Å; F41-T43 PolarHBondContact O-N 2.92Å; T43-S58 WeakPolarHBondContact O-CA 3.28Å; T43-S58 VanDerWaalsContact O-CB 3.28Å; T43-S58 WeakPolarHBondContact O-CB 3.25Å; T43-S58 PolarHBondContact O-N 2.92Å; T43-F61 HydrophobicContact CG2-CE2 4.48Å; T43-L66 HydrophobicContact CG2-CD2 4.07Å; T43-L69 HydrophobicContact CG2-CD2 3.77Å; T43-Y70 PolarHBondContact OG1-OH 3.23Å
44T84.8Confident82.2Confident57 Ų5769.3 Ų69.335%0.3537%0.368SS..Hα-helixtrans-110.5-16.6-175.5690000114.9Y40 F41Y40-T44 HydrophobicContact CD2-CG2 3.86Å; Y40-T44 HydrophobicContact CE2-CG2 3.64Å; Y40-T44 HydrophobicContact CG-CG2 4.43Å; Y40-T44 WeakPolarHBondContact O-CG2 3.44Å; Y40-T44 PolarHBondContact O-N 3.39Å; Y40-T44 PolarHBondContact O-OG1 3.48Å; F41-T44 PolarHBondContact O-N 2.72Å
45H84.6Confident81.8Confident74 Ų7470.3 Ų70.334%0.34337%0.373SS..SBendtrans-82157179.1-72.866.8000111.5F41 V47 P234F41-H45 WeakPolarHBondContact CA-ND1 3.34Å; F41-H45 HydrophobicContact CD1-CB 4.49Å; F41-H45 AromaticContact CD2-CD2 3.78Å; F41-H45 AromaticContact CD2-CE1 3.12Å; F41-H45 WeakPolarHBondContact CD2-CE1 3.48Å; F41-H45 AromaticContact CD2-CG 3.73Å; F41-H45 AromaticContact CD2-ND1 3.33Å; F41-H45 VanDerWaalsContact CD2-ND1 3.33Å; F41-H45 WeakPolarHBondContact CD2-ND1 3.47Å; F41-H45 AromaticContact CD2-NE2 3.42Å; F41-H45 WeakPolarHBondContact CD2-NE2 3.39Å; F41-H45 HydrophobicContact CE1-CB 4.26Å; F41-H45 AromaticContact CE2-CD2 3.3Å; F41-H45 WeakPolarHBondContact CE2-CD2 3.33Å; F41-H45 AromaticContact CE2-CE1 3.49Å; F41-H45 VanDerWaalsContact CE2-CE1 3.49Å; F41-H45 WeakPolarHBondContact CE2-CE1 3.43Å; F41-H45 AromaticContact CE2-CG 3.58Å; F41-H45 AromaticContact CE2-ND1 3.7Å; F41-H45 AromaticContact CE2-NE2 3.25Å; F41-H45 VanDerWaalsContact CE2-NE2 3.25Å; F41-H45 WeakPolarHBondContact CE2-NE2 3.46Å; F41-H45 AromaticContact CG-CE1 3.81Å; F41-H45 AromaticContact CG-ND1 3.57Å; F41-H45 HydrophobicContact CZ-CB 4.26Å; F41-H45 AromaticContact CZ-CD2 3.7Å; F41-H45 AromaticContact CZ-CG 3.78Å; F41-H45 VanDerWaalsContact O-CB 3.28Å; F41-H45 WeakPolarHBondContact O-CB 3.44Å; F41-H45 PolarHBondContact O-N 2.97Å; F41-H45 PolarHBondContact O-ND1 3.33Å; H45-V47 PolarHBondContact O-N 3.46Å; H45-P234 HydrophobicContact CB-CB 3.63Å; H45-P234 HydrophobicContact CB-CG 4.04Å
46W80.7Confident81.3Confident89 Ų8969 Ų6934%0.33737%0.368SS..  trans-64.2128.4-174.7-179.378.4000111.4P48 A51 P234 I235 E237W46-P48 HydrophobicContact CE3-CG 4.19Å; W46-P48 HydrophobicContact CH2-CB 3.78Å; W46-P48 HydrophobicContact CH2-CG 3.59Å; W46-P48 HydrophobicContact CZ2-CB 4.03Å; W46-P48 HydrophobicContact CZ2-CG 4.2Å; W46-P48 HydrophobicContact CZ3-CB 4.3Å; W46-P48 HydrophobicContact CZ3-CG 3.61Å; W46-A51 HydrophobicContact CZ2-CB 4Å; W46-P234 WeakPolarHBondContact O-CA 3.47Å; W46-P234 WeakPolarHBondContact O-CB 3.36Å; W46-I235 HydrophobicContact CE3-CG1 3.88Å; W46-I235 HydrophobicContact CH2-CD1 4.39Å; W46-I235 HydrophobicContact CZ3-CD1 3.71Å; W46-I235 HydrophobicContact CZ3-CG1 3.55Å; W46-I235 PolarHBondContact O-N 2.83Å; W46-E237 HydrophobicContact CB-CG 4.23Å; W46-E237 HydrophobicContact CD2-CG 3.96Å; W46-E237 HydrophobicContact CE3-CG 3.87Å; W46-E237 HydrophobicContact CG-CG 4.12Å; W46-E237 HydrophobicContact CZ3-CG 4.46Å
47V78.7Confident80.6Confident1 Ų166.9 Ų66.91%0.00636%0.357CS..  trans-119.7121174.9-176.40000107.5H45 A49 Y50 A51 L57 E231 P234H45-V47 PolarHBondContact O-N 3.46Å; V47-A49 VanDerWaalsContact C-N 3.29Å; V47-A49 PolarHBondContact O-N 3.45Å; V47-Y50 HydrophobicContact CB-CD2 4.04Å; V47-Y50 HydrophobicContact CG1-CD2 3.7Å; V47-Y50 HydrophobicContact CG1-CE2 4.27Å; V47-Y50 CarbonylContact O-C 3.59Å; V47-Y50 WeakPolarHBondContact O-CA 3.3Å; V47-Y50 PolarHBondContact O-N 3.29Å; V47-A51 PolarHBondContact O-N 2.95Å; V47-L57 HydrophobicContact CG2-CB 4.1Å; V47-L57 HydrophobicContact CG2-CD2 4.27Å; V47-E231 WeakPolarHBondContact CG1-O 3.18Å; V47-P234 HydrophobicContact CG2-CB 4.38Å; V47-P234 HydrophobicContact CG2-CG 4.27Å
48P81Confident79.9Confident56 Ų5662.8 Ų62.836%0.36434%0.341SS..G310 helixtrans-56.2-40.5-171.9-25.630.9000114.1W46 Y50 A51 I235W46-P48 HydrophobicContact CE3-CG 4.19Å; W46-P48 HydrophobicContact CH2-CB 3.78Å; W46-P48 HydrophobicContact CH2-CG 3.59Å; W46-P48 HydrophobicContact CZ2-CB 4.03Å; W46-P48 HydrophobicContact CZ2-CG 4.2Å; W46-P48 HydrophobicContact CZ3-CB 4.3Å; W46-P48 HydrophobicContact CZ3-CG 3.61Å; P48-Y50 PolarHBondContact O-N 3.01Å; P48-Y50 VanDerWaalsContact O-N 3.12Å; P48-A51 WeakPolarHBondContact O-CB 3.29Å; P48-A51 PolarHBondContact O-N 3.49Å; P48-A51 VanDerWaalsContact O-N 3.14Å; P48-I235 HydrophobicContact CB-CD1 4.48Å; P48-I235 HydrophobicContact CG-CD1 3.19Å; P48-I235 HydrophobicContact CG-CG1 3.32Å
49A78.9Confident79.4Confident42 Ų4263 Ų6335%0.34734%0.34SS..G310 helixtrans-63.7-17.1179.300000113.4V47 E231V47-A49 VanDerWaalsContact C-N 3.29Å; V47-A49 PolarHBondContact O-N 3.45Å; A49-E231 HydrophobicContact CB-CB 3.54Å; A49-E231 HydrophobicContact CB-CG 4.46Å; A49-E231 VanDerWaalsContact CB-OE2 3.26Å; A49-E231 WeakPolarHBondContact CB-OE2 3.48Å
50Y77.2Confident78.9Confident45 Ų4565.5 Ų65.518%0.17635%0.351CS..G310 helixtrans-117.416.5-179.9-58.6-87.4000112.4V47 P48 D52 Y53 L57 L60 L232V47-Y50 HydrophobicContact CB-CD2 4.04Å; V47-Y50 HydrophobicContact CG1-CD2 3.7Å; V47-Y50 HydrophobicContact CG1-CE2 4.27Å; V47-Y50 CarbonylContact O-C 3.59Å; V47-Y50 WeakPolarHBondContact O-CA 3.3Å; V47-Y50 PolarHBondContact O-N 3.29Å; P48-Y50 PolarHBondContact O-N 3.01Å; P48-Y50 VanDerWaalsContact O-N 3.12Å; Y50-D52 PolarHBondContact O-N 3.49Å; Y50-Y53 AromaticContact CD1-CD2 3.88Å; Y50-Y53 HydrophobicContact CD1-CD2 3.88Å; Y50-Y53 AromaticContact CD1-CE2 3.72Å; Y50-Y53 HydrophobicContact CD1-CE2 3.72Å; Y50-Y53 HydrophobicContact CE1-CE2 4.45Å; Y50-Y53 HydrophobicContact CG-CD2 4.41Å; Y50-Y53 WeakPolarHBondContact O-CB 3.19Å; Y50-Y53 PolarHBondContact O-N 2.99Å; Y50-L57 HydrophobicContact CD1-CD1 4.31Å; Y50-L57 HydrophobicContact CD2-CD1 3.68Å; Y50-L57 HydrophobicContact CE1-CD1 4.25Å; Y50-L57 HydrophobicContact CE2-CD1 3.62Å; Y50-L57 HydrophobicContact CG-CD1 4.03Å; Y50-L60 HydrophobicContact CD1-CD1 4.12Å; Y50-L60 HydrophobicContact CD1-CD2 4.34Å; Y50-L60 HydrophobicContact CD1-CG 4.4Å; Y50-L60 HydrophobicContact CE1-CD1 3.57Å; Y50-L60 HydrophobicContact CE1-CD2 4.14Å; Y50-L60 HydrophobicContact CE1-CG 4.23Å; Y50-L232 HydrophobicContact CE2-CD2 3.79Å
51A77.3Confident78.3Confident50 Ų5063.2 Ų63.241%0.41334%0.344SS..THydrogen-bonded Turntrans-60.2-28.9-179.200000113.4W46 V47 P48 Y53W46-A51 HydrophobicContact CZ2-CB 4Å; V47-A51 PolarHBondContact O-N 2.95Å; P48-A51 WeakPolarHBondContact O-CB 3.29Å; P48-A51 PolarHBondContact O-N 3.49Å; P48-A51 VanDerWaalsContact O-N 3.14Å; A51-Y53 VanDerWaalsContact C-N 3.26Å; A51-Y53 PolarHBondContact O-N 3.37Å
52D80Confident78.1Confident166 Ų16661.6 Ų61.689%0.88834%0.342SS*.THydrogen-bonded Turntrans-80.1-5.2178.4-67.8-32.9000113.4Y50Y50-D52 PolarHBondContact O-N 3.49Å
53Y75.3Confident78.3Confident114 Ų11463.6 Ų63.645%0.44736%0.359SS..SBendtrans-87.7136.6176.5-70.5-104.9000110.4Y50 A51 D55 G56 S59 L60Y50-Y53 AromaticContact CD1-CD2 3.88Å; Y50-Y53 HydrophobicContact CD1-CD2 3.88Å; Y50-Y53 AromaticContact CD1-CE2 3.72Å; Y50-Y53 HydrophobicContact CD1-CE2 3.72Å; Y50-Y53 HydrophobicContact CE1-CE2 4.45Å; Y50-Y53 HydrophobicContact CG-CD2 4.41Å; Y50-Y53 WeakPolarHBondContact O-CB 3.19Å; Y50-Y53 PolarHBondContact O-N 2.99Å; A51-Y53 VanDerWaalsContact C-N 3.26Å; A51-Y53 PolarHBondContact O-N 3.37Å; Y53-D55 PolarHBondContact O-N 3.46Å; Y53-D55 VanDerWaalsContact O-N 3.09Å; Y53-G56 PolarHBondContact O-N 2.91Å; Y53-S59 WeakPolarHBondContact CB-OG 3.33Å; Y53-S59 WeakPolarHBondContact CD1-OG 3.34Å; Y53-L60 HydrophobicContact CE1-CD2 4.2Å
54P74.1Confident78.5Confident118 Ų11864.1 Ų64.177%0.76636%0.363SS*.THydrogen-bonded Turntrans-59.3-29.5-171.120.1-31000114.3
55D73.3Confident78.5Confident114 Ų11464.1 Ų64.161%0.6136%0.359SS*.THydrogen-bonded Turntrans-122.223.7177-55.2-59.7000112Y53 S58Y53-D55 PolarHBondContact O-N 3.46Å; Y53-D55 VanDerWaalsContact O-N 3.09Å; D55-S58 WeakPolarHBondContact CB-OG 3.31Å; D55-S58 PolarHBondContact O-N 2.92Å; D55-S58 PolarHBondContact O-OG 2.79Å
56G76.9Confident78.5Confident14 Ų1461.8 Ų61.814%0.14435%0.348CS..G310 helixtrans58.7-142.8-178.200000113.2Y53 S58 S59Y53-G56 PolarHBondContact O-N 2.91Å; G56-S58 PolarHBondContact O-N 3.13Å; G56-S59 WeakPolarHBondContact O-CB 3.45Å; G56-S59 PolarHBondContact O-N 2.73Å; G56-S59 PolarHBondContact O-OG 2.93Å
57L72.1Confident78.9Confident12 Ų1260.1 Ų60.16%0.06335%0.345CS..G310 helixtrans-60.7-32-178.7-169.971.7000112.9L42 V47 Y50 S59 L60 L232L42-L57 WeakPolarHBondContact O-CD2 3.39Å; V47-L57 HydrophobicContact CG2-CB 4.1Å; V47-L57 HydrophobicContact CG2-CD2 4.27Å; Y50-L57 HydrophobicContact CD1-CD1 4.31Å; Y50-L57 HydrophobicContact CD2-CD1 3.68Å; Y50-L57 HydrophobicContact CE1-CD1 4.25Å; Y50-L57 HydrophobicContact CE2-CD1 3.62Å; Y50-L57 HydrophobicContact CG-CD1 4.03Å; L57-S59 PolarHBondContact O-N 3.47Å; L57-S59 VanDerWaalsContact O-N 3.14Å; L57-L60 HydrophobicContact CD1-CD1 3.51Å; L57-L60 HydrophobicContact CD1-CG 4.35Å; L57-L60 HydrophobicContact CG-CD1 4.42Å; L57-L60 WeakPolarHBondContact O-CB 3.36Å; L57-L60 WeakPolarHBondContact O-CG 3.33Å; L57-L60 PolarHBondContact O-N 3.28Å; L57-L232 HydrophobicContact CD1-CD2 3.5Å; L57-L232 HydrophobicContact CD2-CD2 4.36Å
58S73.2Confident79.4Confident25 Ų2560.1 Ų60.118%0.17535%0.345CS..G310 helixtrans-59.3-28-179.974.90000112.9T43 D55 G56 L60 F61T43-S58 WeakPolarHBondContact O-CA 3.28Å; T43-S58 VanDerWaalsContact O-CB 3.28Å; T43-S58 WeakPolarHBondContact O-CB 3.25Å; T43-S58 PolarHBondContact O-N 2.92Å; D55-S58 WeakPolarHBondContact CB-OG 3.31Å; D55-S58 PolarHBondContact O-N 2.92Å; D55-S58 PolarHBondContact O-OG 2.79Å; G56-S58 PolarHBondContact O-N 3.13Å; S58-L60 PolarHBondContact O-N 3.15Å; S58-L60 VanDerWaalsContact O-N 3.15Å; S58-F61 PolarHBondContact O-N 3.29Å
59S74.2Confident79.7Confident44 Ų4458.9 Ų58.931%0.30834%0.335SS..G310 helixtrans-65.4-14.5178.171.10000114.2Y53 G56 L57 F61Y53-S59 WeakPolarHBondContact CB-OG 3.33Å; Y53-S59 WeakPolarHBondContact CD1-OG 3.34Å; G56-S59 WeakPolarHBondContact O-CB 3.45Å; G56-S59 PolarHBondContact O-N 2.73Å; G56-S59 PolarHBondContact O-OG 2.93Å; L57-S59 PolarHBondContact O-N 3.47Å; L57-S59 VanDerWaalsContact O-N 3.14Å; S59-F61 PolarHBondContact O-N 3.08Å
60L74.6Confident80.3Confident80 Ų8059.2 Ų59.242%0.41933%0.328SS..G310 helixtrans-75.4-14.8174.1-59.5-174.3000113.2Y50 Y53 L57 S58Y50-L60 HydrophobicContact CD1-CD1 4.12Å; Y50-L60 HydrophobicContact CD1-CD2 4.34Å; Y50-L60 HydrophobicContact CD1-CG 4.4Å; Y50-L60 HydrophobicContact CE1-CD1 3.57Å; Y50-L60 HydrophobicContact CE1-CD2 4.14Å; Y50-L60 HydrophobicContact CE1-CG 4.23Å; Y53-L60 HydrophobicContact CE1-CD2 4.2Å; L57-L60 HydrophobicContact CD1-CD1 3.51Å; L57-L60 HydrophobicContact CD1-CG 4.35Å; L57-L60 HydrophobicContact CG-CD1 4.42Å; L57-L60 WeakPolarHBondContact O-CB 3.36Å; L57-L60 WeakPolarHBondContact O-CG 3.33Å; L57-L60 PolarHBondContact O-N 3.28Å; S58-L60 PolarHBondContact O-N 3.15Å; S58-L60 VanDerWaalsContact O-N 3.15Å
61F75.6Confident80.9Confident70 Ų7057.4 Ų57.431%0.30732%0.321SS..SBendtrans-116140.9-176.5-58.4-85.6000110T43 S58 S59 E65 L66T43-F61 HydrophobicContact CG2-CE2 4.48Å; S58-F61 PolarHBondContact O-N 3.29Å; S59-F61 PolarHBondContact O-N 3.08Å; F61-E65 HydrophobicContact CB-CB 4.35Å; F61-E65 HydrophobicContact CD1-CB 4.5Å; F61-L66 HydrophobicContact CB-CD1 4.27Å; F61-L66 HydrophobicContact CB-CD2 3.77Å; F61-L66 HydrophobicContact CB-CG 3.63Å; F61-L66 HydrophobicContact CD2-CD2 3.95Å; F61-L66 HydrophobicContact CG-CD2 3.93Å; F61-L66 HydrophobicContact CG-CG 4.34Å
62S82.5Confident81.5Confident46 Ų4655 Ų5532%0.32230%0.302SS..  trans-67155.9166.467.80000110.6V64 E65 L66S62-V64 PolarHBondContact O-N 3.25Å; S62-V64 VanDerWaalsContact O-N 3.11Å; S62-E65 VanDerWaalsContact CB-OE2 3.31Å; S62-E65 WeakPolarHBondContact CB-OE2 3.48Å; S62-E65 PolarHBondContact N-OE2 2.93Å; S62-E65 PolarHBondContact O-N 3.15Å; S62-E65 VanDerWaalsContact OG-CD 3.26Å; S62-E65 VanDerWaalsContact OG-CG 3.27Å; S62-E65 WeakPolarHBondContact OG-CG 3.37Å; S62-E65 PolarHBondContact OG-N 3.47Å; S62-E65 PolarHBondContact OG-OE2 3.36Å; S62-L66 PolarHBondContact O-N 3.05Å; S62-L66 VanDerWaalsContact O-N 3.09Å
63P87.4Confident81.9Confident109 Ų10947.4 Ų47.471%0.70826%0.262SS*.Hα-helixtrans-55.2-31.9175.2-27.835.5000113.6M67P63-M67 VanDerWaalsContact O-CB 3.31Å; P63-M67 WeakPolarHBondContact O-CB 3.3Å; P63-M67 PolarHBondContact O-N 3.12Å
64V85.6Confident82.6Confident20 Ų2042.7 Ų42.712%0.12125%0.246CC..Hα-helixtrans-71.2-38.4178.1178.50000111.5S62 M67 A68 L128 E132 F136S62-V64 PolarHBondContact O-N 3.25Å; S62-V64 VanDerWaalsContact O-N 3.11Å; V64-M67 PolarHBondContact O-N 3.06Å; V64-A68 WeakPolarHBondContact O-CB 3.46Å; V64-A68 PolarHBondContact O-N 2.89Å; V64-L128 HydrophobicContact CG2-CD2 4.31Å; V64-E132 HydrophobicContact CG2-CB 4.32Å; V64-E132 HydrophobicContact CG2-CG 4.24Å; V64-F136 HydrophobicContact CG1-CB 3.78Å; V64-F136 HydrophobicContact CG1-CD2 4.44Å
65E84.4Confident83.4Confident57 Ų5737 Ų3727%0.26621%0.21SC..Hα-helixtrans-69.2-42177.2-71.9162.4141.600111.8F61 S62 A68 L69 F139F61-E65 HydrophobicContact CB-CB 4.35Å; F61-E65 HydrophobicContact CD1-CB 4.5Å; S62-E65 VanDerWaalsContact CB-OE2 3.31Å; S62-E65 WeakPolarHBondContact CB-OE2 3.48Å; S62-E65 PolarHBondContact N-OE2 2.93Å; S62-E65 PolarHBondContact O-N 3.15Å; S62-E65 VanDerWaalsContact OG-CD 3.26Å; S62-E65 VanDerWaalsContact OG-CG 3.27Å; S62-E65 WeakPolarHBondContact OG-CG 3.37Å; S62-E65 PolarHBondContact OG-N 3.47Å; S62-E65 PolarHBondContact OG-OE2 3.36Å; E65-A68 WeakPolarHBondContact O-CB 3.28Å; E65-A68 PolarHBondContact O-N 3.41Å; E65-L69 PolarHBondContact O-N 2.67Å; E65-F139 HydrophobicContact CB-CD2 4.29Å; E65-F139 HydrophobicContact CB-CE2 4.06Å; E65-F139 HydrophobicContact CB-CZ 4.45Å; E65-F139 HydrophobicContact CG-CD2 3.88Å; E65-F139 HydrophobicContact CG-CE2 3.91Å
66L85.8Confident84.3Confident25 Ų2532.3 Ų32.313%0.13118%0.184CC..Hα-helixtrans-62.4-44.8173.2-70.5174000111.4T43 F61 S62 A68 L69 Y70T43-L66 HydrophobicContact CG2-CD2 4.07Å; F61-L66 HydrophobicContact CB-CD1 4.27Å; F61-L66 HydrophobicContact CB-CD2 3.77Å; F61-L66 HydrophobicContact CB-CG 3.63Å; F61-L66 HydrophobicContact CD2-CD2 3.95Å; F61-L66 HydrophobicContact CG-CD2 3.93Å; F61-L66 HydrophobicContact CG-CG 4.34Å; S62-L66 PolarHBondContact O-N 3.05Å; S62-L66 VanDerWaalsContact O-N 3.09Å; L66-A68 VanDerWaalsContact C-N 3.25Å; L66-A68 PolarHBondContact O-N 3.45Å; L66-L69 PolarHBondContact O-N 2.98Å; L66-Y70 HydrophobicContact CB-CE2 4.13Å; L66-Y70 VanDerWaalsContact O-CD2 3.28Å; L66-Y70 WeakPolarHBondContact O-CD2 3.28Å; L66-Y70 PolarHBondContact O-N 3.46Å
67M89.1Confident84.9Confident55 Ų5532.3 Ų32.327%0.27118%0.181SC..Hα-helixtrans-59.7-39175.2-172176.863.700111.5P63 V64 T71 F124 V125 L128 F136P63-M67 VanDerWaalsContact O-CB 3.31Å; P63-M67 WeakPolarHBondContact O-CB 3.3Å; P63-M67 PolarHBondContact O-N 3.12Å; V64-M67 PolarHBondContact O-N 3.06Å; M67-T71 WeakPolarHBondContact O-CB 3.39Å; M67-T71 PolarHBondContact O-N 2.85Å; M67-T71 PolarHBondContact O-OG1 3.2Å; M67-F124 HydrophobicContact CG-CE2 4.29Å; M67-F124 HydrophobicContact SD-CE2 3.96Å; M67-V125 HydrophobicContact CE-CG1 3.86Å; M67-V125 HydrophobicContact SD-CG1 4.45Å; M67-L128 HydrophobicContact CE-CD1 3.82Å; M67-L128 HydrophobicContact CE-CD2 4.18Å; M67-L128 HydrophobicContact CE-CG 4.4Å; M67-F136 HydrophobicContact CB-CE2 4.37Å; M67-F136 HydrophobicContact CE-CD2 3.68Å; M67-F136 HydrophobicContact CE-CE2 3.78Å; M67-F136 HydrophobicContact CE-CG 4.47Å; M67-F136 HydrophobicContact CG-CE2 3.93Å
68A88.4Confident85.7Confident0 Ų032.3 Ų32.30%018%0.18CC..Hα-helixtrans-65.9-45.4175.700000112.1V64 E65 L66 Y70 T71 A72 F136 F139 V140V64-A68 WeakPolarHBondContact O-CB 3.46Å; V64-A68 PolarHBondContact O-N 2.89Å; E65-A68 WeakPolarHBondContact O-CB 3.28Å; E65-A68 PolarHBondContact O-N 3.41Å; L66-A68 VanDerWaalsContact C-N 3.25Å; L66-A68 PolarHBondContact O-N 3.45Å; A68-Y70 PolarHBondContact O-N 3.46Å; A68-T71 PolarHBondContact O-N 3.34Å; A68-A72 VanDerWaalsContact O-CB 3.3Å; A68-A72 WeakPolarHBondContact O-CB 3.33Å; A68-A72 PolarHBondContact O-N 3.09Å; A68-F136 HydrophobicContact CB-CD2 3.67Å; A68-F136 HydrophobicContact CB-CE2 4.02Å; A68-F136 HydrophobicContact CB-CG 4.45Å; A68-F139 HydrophobicContact CB-CB 3.73Å; A68-F139 HydrophobicContact CB-CD1 3.7Å; A68-F139 HydrophobicContact CB-CG 3.93Å; A68-V140 HydrophobicContact CB-CG2 3.88Å; A68-V140 WeakPolarHBondContact O-CG2 3.38Å
69L88.1Confident86.5Confident30 Ų3034.3 Ų34.316%0.15719%0.189CC..Hα-helixtrans-57.3-48.4176175.762000111.3C39 T43 E65 L66 A72 A73 F139 T143C39-L69 HydrophobicContact CB-CD2 4.38Å; C39-L69 HydrophobicContact CB-CG 4.26Å; T43-L69 HydrophobicContact CG2-CD2 3.77Å; E65-L69 PolarHBondContact O-N 2.67Å; L66-L69 PolarHBondContact O-N 2.98Å; L69-A72 WeakPolarHBondContact O-CB 3.43Å; L69-A72 PolarHBondContact O-N 2.71Å; L69-A73 PolarHBondContact O-N 3Å; L69-F139 HydrophobicContact CB-CE1 4.23Å; L69-T143 HydrophobicContact CD1-CG2 4.05Å
70Y90Very high87.1Confident49 Ų4933 Ų3319%0.19218%0.178CC..Hα-helixtrans-66.6-39.2179.3-58.5-21.9000111.8L36 C39 Y40 T43 L66 A68 A73 A74L36-Y70 HydrophobicContact CD1-CD1 4.35Å; L36-Y70 HydrophobicContact CD1-CG 4.19Å; L36-Y70 WeakPolarHBondContact CD1-O 3.35Å; C39-Y70 HydrophobicContact CB-CD1 4.27Å; C39-Y70 HydrophobicContact CB-CE1 4.43Å; Y40-Y70 HydrophobicContact CD2-CE2 4.41Å; T43-Y70 PolarHBondContact OG1-OH 3.23Å; L66-Y70 HydrophobicContact CB-CE2 4.13Å; L66-Y70 VanDerWaalsContact O-CD2 3.28Å; L66-Y70 WeakPolarHBondContact O-CD2 3.28Å; L66-Y70 PolarHBondContact O-N 3.46Å; A68-Y70 PolarHBondContact O-N 3.46Å; Y70-A73 PolarHBondContact O-N 2.96Å; Y70-A74 WeakPolarHBondContact O-CB 3.35Å; Y70-A74 PolarHBondContact O-N 3.06Å
71T90.8Very high87.8Confident7 Ų731.6 Ų31.64%0.04317%0.174CC..Hα-helixtrans-64-43.3174.2-56.40000111.1M67 A68 A74 I75 W114 L117 F124 F136 V140M67-T71 WeakPolarHBondContact O-CB 3.39Å; M67-T71 PolarHBondContact O-N 2.85Å; M67-T71 PolarHBondContact O-OG1 3.2Å; A68-T71 PolarHBondContact O-N 3.34Å; T71-A74 PolarHBondContact O-N 3.15Å; T71-I75 HydrophobicContact CG2-CG2 4.23Å; T71-I75 WeakPolarHBondContact O-CG1 3.41Å; T71-I75 WeakPolarHBondContact O-CG2 3.33Å; T71-I75 PolarHBondContact O-N 3.14Å; T71-I75 VanDerWaalsContact O-N 3.09Å; T71-W114 HydrophobicContact CG2-CH2 4.15Å; T71-W114 HydrophobicContact CG2-CZ3 4.12Å; T71-L117 HydrophobicContact CG2-CD1 4.45Å; T71-F124 HydrophobicContact CG2-CZ 4.18Å; T71-F136 HydrophobicContact CG2-CZ 3.89Å; T71-F136 WeakPolarHBondContact OG1-CZ 3.29Å; T71-V140 HydrophobicContact CG2-CG2 4.33Å
72A90.2Very high88.2Confident1 Ų128.3 Ų28.31%0.00816%0.16CC..Hα-helixtrans-58.5-5117700000111A68 L69 A74 I75 H76 V140 T143 V144A68-A72 VanDerWaalsContact O-CB 3.3Å; A68-A72 WeakPolarHBondContact O-CB 3.33Å; A68-A72 PolarHBondContact O-N 3.09Å; L69-A72 WeakPolarHBondContact O-CB 3.43Å; L69-A72 PolarHBondContact O-N 2.71Å; A72-A74 VanDerWaalsContact C-N 3.28Å; A72-A74 PolarHBondContact O-N 2.67Å; A72-I75 CarbonylContact O-C 3.59Å; A72-I75 WeakPolarHBondContact O-CG1 3.42Å; A72-I75 PolarHBondContact O-N 2.66Å; A72-H76 WeakPolarHBondContact O-CA 3.47Å; A72-H76 WeakPolarHBondContact O-CB 3.28Å; A72-H76 PolarHBondContact O-N 3.03Å; A72-V140 HydrophobicContact CB-CG1 4.32Å; A72-T143 HydrophobicContact CB-CG2 3.54Å; A72-V144 HydrophobicContact CB-CG2 3.91Å
73A88.8Confident88.4Confident5 Ų527.4 Ų27.44%0.04115%0.149CC..Hα-helixtrans-54.7-43.4176.200000112.2V35 L36 C39 L69 Y70 I75 H76V35-A73 HydrophobicContact CG1-CB 4.05Å; L36-A73 HydrophobicContact CB-CB 4.19Å; L36-A73 HydrophobicContact CD1-CB 4.33Å; C39-A73 HydrophobicContact CB-CB 4.5Å; L69-A73 PolarHBondContact O-N 3Å; Y70-A73 PolarHBondContact O-N 2.96Å; A73-I75 VanDerWaalsContact C-N 3.29Å; A73-I75 PolarHBondContact O-N 3.2Å; A73-H76 PolarHBondContact O-ND1 3.09Å
74A89.8Confident88.5Confident15 Ų1524.3 Ų24.312%0.12413%0.127CC..Hα-helixtrans-70.4-20179.400000114.3Y13 Q17 L36 Y70 T71 A72Y13-A74 HydrophobicContact CE1-CB 3.98Å; Y13-A74 PolarHBondContact OH-O 2.78Å; Q17-A74 PolarHBondContact NE2-O 3.14Å; L36-A74 HydrophobicContact CD2-CB 4.49Å; Y70-A74 WeakPolarHBondContact O-CB 3.35Å; Y70-A74 PolarHBondContact O-N 3.06Å; T71-A74 PolarHBondContact O-N 3.15Å; A72-A74 VanDerWaalsContact C-N 3.28Å; A72-A74 PolarHBondContact O-N 2.67Å
75I91.2Very high88.8Confident0 Ų024.7 Ų24.70%013%0.128CC..Hα-helixtrans-111.1-9.2-17777.6161.4000113.5Y13 T71 A72 A73 D77 H78 A113 W114 L117 V140 V144Y13-I75 HydrophobicContact CE1-CG2 4.25Å; Y13-I75 HydrophobicContact CE2-CG2 3.96Å; Y13-I75 VanDerWaalsContact CZ-CG2 3.45Å; Y13-I75 WeakPolarHBondContact OH-CA 3.32Å; Y13-I75 WeakPolarHBondContact OH-CB 3.48Å; Y13-I75 WeakPolarHBondContact OH-CG2 3.22Å; T71-I75 HydrophobicContact CG2-CG2 4.23Å; T71-I75 WeakPolarHBondContact O-CG1 3.41Å; T71-I75 WeakPolarHBondContact O-CG2 3.33Å; T71-I75 PolarHBondContact O-N 3.14Å; T71-I75 VanDerWaalsContact O-N 3.09Å; A72-I75 CarbonylContact O-C 3.59Å; A72-I75 WeakPolarHBondContact O-CG1 3.42Å; A72-I75 PolarHBondContact O-N 2.66Å; A73-I75 VanDerWaalsContact C-N 3.29Å; A73-I75 PolarHBondContact O-N 3.2Å; I75-D77 PolarHBondContact O-N 3.27Å; I75-H78 WeakPolarHBondContact O-CB 3.34Å; I75-H78 PolarHBondContact O-N 3.45Å; I75-A113 HydrophobicContact CB-CB 3.79Å; I75-A113 HydrophobicContact CD1-CB 3.88Å; I75-A113 HydrophobicContact CG1-CB 4.4Å; I75-A113 HydrophobicContact CG2-CB 4.04Å; I75-W114 HydrophobicContact CD1-CE3 4.26Å; I75-W114 HydrophobicContact CD1-CZ3 4.06Å; I75-L117 HydrophobicContact CG2-CD1 4.2Å; I75-V140 HydrophobicContact CD1-CG1 3.59Å; I75-V140 HydrophobicContact CG1-CG1 4.37Å; I75-V144 HydrophobicContact CD1-CG2 4.27Å; I75-V144 HydrophobicContact CG1-CG2 3.94Å
76H90.9Very high89.1Confident14 Ų1424.7 Ų24.77%0.06514%0.138CC..THydrogen-bonded Turntrans-60.9-28.2-162.380.3-76.8000114.3H31 A72 A73 H109 V144 T147H31-H76 AromaticContact CD2-CE1 3.72Å; H31-H76 AromaticContact CD2-NE2 3.77Å; H31-H76 AromaticContact CE1-NE2 3.96Å; H31-H76 AromaticContact NE2-CE1 3.32Å; H31-H76 PolarHBondContact NE2-CE1 3.01Å; H31-H76 VanDerWaalsContact NE2-CE1 3.32Å; H31-H76 AromaticContact NE2-NE2 3.01Å; H31-H76 PolarHBondContact NE2-NE2 3.2Å; A72-H76 WeakPolarHBondContact O-CA 3.47Å; A72-H76 WeakPolarHBondContact O-CB 3.28Å; A72-H76 PolarHBondContact O-N 3.03Å; A73-H76 PolarHBondContact O-ND1 3.09Å; H76-H109 VanDerWaalsContact O-CB 3.23Å; H76-H109 WeakPolarHBondContact O-CB 3.45Å; H76-H109 PolarHBondContact O-CD2 3.37Å; H76-V144 HydrophobicContact CB-CG1 4.25Å; H76-V144 HydrophobicContact CB-CG2 4.14Å; H76-T147 HydrophobicContact CB-CG2 4.43Å
77D89.6Confident89.5Confident15 Ų1523.9 Ų23.98%0.0813%0.133CC..THydrogen-bonded Turntrans-114.421.6178-91-35.6000113H27 H31 I75 D79 H80 H109H27-D77 HydrophobicContact CB-CB 4.33Å; H27-D77 IonicContact CE1-OD2 3.88Å; H27-D77 IonicContact CG-OD2 2.62Å; H27-D77 IonicContact ND1-OD1 3.25Å; H27-D77 PolarHBondContact ND1-OD1 3.45Å; H27-D77 IonicContact ND1-OD2 2.64Å; H27-D77 PolarHBondContact ND1-OD2 3.3Å; H31-D77 IonicContact CD2-OD2 3.44Å; H31-D77 PolarHBondContact CD2-OD2 3.38Å; H31-D77 IonicContact NE2-OD2 3.03Å; H31-D77 PolarHBondContact NE2-OD2 3.16Å; I75-D77 PolarHBondContact O-N 3.27Å; D77-D79 PolarHBondContact O-N 2.78Å; D77-H80 HydrophobicContact CB-CB 4.38Å; D77-H80 VanDerWaalsContact O-CB 3.25Å; D77-H80 WeakPolarHBondContact O-CB 3.41Å; D77-H80 PolarHBondContact O-N 3.1Å; D77-H80 IonicContact OD1-CD2 3.86Å; D77-H80 PolarHBondContact OD1-CD2 2.97Å; D77-H80 VanDerWaalsContact OD1-CD2 3.26Å; D77-H109 IonicContact OD1-NE2 3.56Å
78H89.6Confident89.7Confident11 Ų1121.4 Ų21.45%0.05112%0.121CC..THydrogen-bonded Turntrans-58.5126.8-177.3173.8-79.3000112.2V16 I75 H80 H109 S112 A113V16-H78 WeakPolarHBondContact CG1-NE2 3.4Å; I75-H78 WeakPolarHBondContact O-CB 3.34Å; I75-H78 PolarHBondContact O-N 3.45Å; H78-H80 VanDerWaalsContact C-N 3.34Å; H78-H109 PolarHBondContact O-ND1 3.23Å; H78-S112 PolarHBondContact CE1-OG 3.46Å; H78-S112 PolarHBondContact ND1-OG 3.35Å; H78-A113 HydrophobicContact CB-CB 4.1Å; H78-A113 PolarHBondContact ND1-N 3.21Å
79D89.1Confident90Very high67 Ų6723.9 Ų23.936%0.35814%0.136SC..THydrogen-bonded Turntrans61.535.4-177.5-167.443.5000113.8L19 D77 H108L19-D79 WeakPolarHBondContact CD1-OD1 3.01Å; D77-D79 PolarHBondContact O-N 2.78Å; D79-H108 IonicContact OD2-CD2 2.81Å; D79-H108 IonicContact OD2-CE1 3.26Å; D79-H108 PolarHBondContact OD2-CE1 2.73Å; D79-H108 IonicContact OD2-NE2 3.15Å; D79-H108 PolarHBondContact OD2-NE2 3.4Å
80H88.2Confident90.3Very high18 Ų1825 Ų258%0.08315%0.149CC..  trans-69.2125.3178.8-170.2-62.5000112.8H27 D77 H78 G82 R83 H109 K182H27-H80 HydrophobicContact CB-CB 3.64Å; H27-H80 VanDerWaalsContact CB-CG 3.47Å; H27-H80 AromaticContact CD2-CE1 3.82Å; H27-H80 AromaticContact CD2-ND1 3.96Å; H27-H80 AromaticContact CD2-NE2 3.96Å; H27-H80 AromaticContact CG-CD2 3.69Å; H27-H80 AromaticContact CG-CE1 3.94Å; H27-H80 AromaticContact CG-CG 3.69Å; H27-H80 AromaticContact CG-ND1 3.79Å; H27-H80 AromaticContact CG-NE2 3.86Å; H27-H80 AromaticContact ND1-CD2 3.76Å; H27-H80 AromaticContact ND1-NE2 3.98Å; D77-H80 HydrophobicContact CB-CB 4.38Å; D77-H80 VanDerWaalsContact O-CB 3.25Å; D77-H80 WeakPolarHBondContact O-CB 3.41Å; D77-H80 PolarHBondContact O-N 3.1Å; D77-H80 IonicContact OD1-CD2 3.86Å; D77-H80 PolarHBondContact OD1-CD2 2.97Å; D77-H80 VanDerWaalsContact OD1-CD2 3.26Å; H78-H80 VanDerWaalsContact C-N 3.34Å; H80-G82 VanDerWaalsContact C-N 3.25Å; H80-G82 PolarHBondContact ND1-N 3.19Å; H80-G82 PolarHBondContact O-N 3.04Å; H80-G82 VanDerWaalsContact O-N 3.12Å; H80-R83 PolarHBondContact CE1-O 3.21Å; H80-H109 AromaticContact CD2-CE1 3.77Å; H80-H109 AromaticContact CD2-NE2 3.6Å; H80-K182 PolarHBondContact CE1-NZ 2.97Å; H80-K182 PolarHBondContact NE2-NZ 2.92Å
81P88.1Confident90.5Very high49 Ų4923.9 Ų23.932%0.31815%0.148SC..  trans-81.69.8-170.333.9-38000115.2R83 L105P81-R83 VanDerWaalsContact C-N 3.26Å; P81-R83 HydrophobicContact CG-CB 4.45Å; P81-R83 PolarHBondContact O-N 3.38Å; P81-L105 VanDerWaalsContact CD-CD2 3.41Å; P81-L105 HydrophobicContact CG-CD2 3.71Å
82G83.9Confident90.7Very high1 Ų132.7 Ų32.71%0.0118%0.18CC..SBendtrans64.323.6-171.100000115H80 K182H80-G82 VanDerWaalsContact C-N 3.25Å; H80-G82 PolarHBondContact ND1-N 3.19Å; H80-G82 PolarHBondContact O-N 3.04Å; H80-G82 VanDerWaalsContact O-N 3.12Å; G82-K182 VanDerWaalsContact C-CE 3.41Å; G82-K182 WeakPolarHBondContact O-CE 3.41Å
83R87.4Confident91Very high28 Ų2834.7 Ų34.711%0.10619%0.191CC..SBendtrans-133.9154.2176.7-64.3-64.6-178.5-103.410110.2H80 P81 F87 L88 L105 F185H80-R83 PolarHBondContact CE1-O 3.21Å; P81-R83 VanDerWaalsContact C-N 3.26Å; P81-R83 HydrophobicContact CG-CB 4.45Å; P81-R83 PolarHBondContact O-N 3.38Å; R83-F87 HydrophobicContact CB-CB 4.37Å; R83-F87 HydrophobicContact CB-CD1 3.72Å; R83-F87 HydrophobicContact CB-CE1 4.38Å; R83-F87 HydrophobicContact CB-CG 4.23Å; R83-F87 HydrophobicContact CG-CD1 3.67Å; R83-F87 HydrophobicContact CG-CE1 3.85Å; R83-F87 HydrophobicContact CG-CG 4.31Å; R83-L88 HydrophobicContact CB-CD2 4.41Å; R83-L105 VanDerWaalsContact O-CD1 3.27Å; R83-L105 WeakPolarHBondContact O-CD1 3.44Å; R83-F185 PolarHBondContact NH2-O 3.14Å
84N89.9Confident91.4Very high44 Ų4439 Ų3924%0.23522%0.219CC..  trans-90.9169.8178.569.212000112.9A86 F87 L88 Q186N84-A86 VanDerWaalsContact C-N 3.29Å; N84-A86 PolarHBondContact O-N 2.88Å; N84-A86 PolarHBondContact OD1-N 3.44Å; N84-F87 PolarHBondContact O-N 3.05Å; N84-F87 WeakPolarHBondContact OD1-CB 3.44Å; N84-F87 PolarHBondContact OD1-N 2.8Å; N84-L88 PolarHBondContact O-N 3.47Å; N84-Q186 PolarHBondContact ND2-NE2 2.86Å; N84-Q186 PolarHBondContact OD1-NE2 2.93Å; N84-Q186 PolarHBondContact OD1-OE1 3.13Å
85N92.3Very high91.8Very high28 Ų2841 Ų4115%0.1522%0.224CC..Hα-helixtrans-54.6-43178.1-79.6-30.1000112.3F87 L88 V89 V104 L105 E106N85-F87 PolarHBondContact O-N 2.66Å; N85-L88 PolarHBondContact O-N 2.71Å; N85-V89 WeakPolarHBondContact O-CG2 3.36Å; N85-V89 PolarHBondContact O-N 3.43Å; N85-V104 WeakPolarHBondContact OD1-CB 3.46Å; N85-V104 PolarHBondContact OD1-N 2.93Å; N85-L105 WeakPolarHBondContact OD1-CB 3.48Å; N85-L105 WeakPolarHBondContact OD1-CG 3.5Å; N85-L105 PolarHBondContact OD1-N 2.73Å; N85-E106 PolarHBondContact ND2-OE1 3.18Å; N85-E106 PolarHBondContact ND2-OE2 3.27Å
86A90.8Very high92.1Very high57 Ų5741 Ų4147%0.47122%0.224SC..Hα-helixtrans-58.9-43.7-179.600000112.7N84 V89 A90N84-A86 VanDerWaalsContact C-N 3.29Å; N84-A86 PolarHBondContact O-N 2.88Å; N84-A86 PolarHBondContact OD1-N 3.44Å; A86-V89 PolarHBondContact O-N 2.95Å; A86-A90 VanDerWaalsContact O-CB 3.29Å; A86-A90 WeakPolarHBondContact O-CB 3.37Å; A86-A90 PolarHBondContact O-N 2.95Å
87F92.8Very high92.5Very high8 Ų845.3 Ų45.34%0.03525%0.247CC..Hα-helixtrans-63.1-45176.1178.8-89.9000112.3R83 N84 N85 V89 A90 T91 Q186 E189 E190R83-F87 HydrophobicContact CB-CB 4.37Å; R83-F87 HydrophobicContact CB-CD1 3.72Å; R83-F87 HydrophobicContact CB-CE1 4.38Å; R83-F87 HydrophobicContact CB-CG 4.23Å; R83-F87 HydrophobicContact CG-CD1 3.67Å; R83-F87 HydrophobicContact CG-CE1 3.85Å; R83-F87 HydrophobicContact CG-CG 4.31Å; N84-F87 PolarHBondContact O-N 3.05Å; N84-F87 WeakPolarHBondContact OD1-CB 3.44Å; N84-F87 PolarHBondContact OD1-N 2.8Å; N85-F87 PolarHBondContact O-N 2.66Å; F87-V89 VanDerWaalsContact C-N 3.32Å; F87-V89 PolarHBondContact O-N 3.18Å; F87-A90 PolarHBondContact O-N 2.85Å; F87-T91 HydrophobicContact CD1-CG2 4.4Å; F87-T91 HydrophobicContact CD2-CG2 4.26Å; F87-T91 HydrophobicContact CE1-CG2 4.03Å; F87-T91 HydrophobicContact CE2-CG2 3.89Å; F87-T91 HydrophobicContact CZ-CG2 3.75Å; F87-T91 WeakPolarHBondContact O-CB 3.47Å; F87-T91 WeakPolarHBondContact O-CG2 3.34Å; F87-T91 PolarHBondContact O-N 3.44Å; F87-T91 PolarHBondContact O-OG1 3.5Å; F87-Q186 HydrophobicContact CB-CG 4.25Å; F87-Q186 HydrophobicContact CD2-CG 3.72Å; F87-Q186 HydrophobicContact CE2-CG 4.44Å; F87-Q186 HydrophobicContact CG-CG 4.17Å; F87-E189 HydrophobicContact CE2-CB 4.33Å; F87-E189 HydrophobicContact CE2-CG 3.82Å; F87-E189 HydrophobicContact CZ-CB 4.44Å; F87-E189 HydrophobicContact CZ-CG 3.53Å; F87-E190 HydrophobicContact CD2-CG 3.63Å; F87-E190 HydrophobicContact CE2-CG 3.75Å
88L94.5Very high92.9Very high3 Ų349 Ų492%0.01627%0.27CS..Hα-helixtrans-61.7-42.8179.9-63.3-176.8000111.2R83 N84 N85 T91 R92 D93 A96 V104 L105R83-L88 HydrophobicContact CB-CD2 4.41Å; N84-L88 PolarHBondContact O-N 3.47Å; N85-L88 PolarHBondContact O-N 2.71Å; L88-T91 PolarHBondContact O-OG1 2.91Å; L88-R92 PolarHBondContact O-N 3.02Å; L88-R92 VanDerWaalsContact O-N 3.17Å; L88-D93 HydrophobicContact CB-CB 3.93Å; L88-D93 HydrophobicContact CD2-CB 3.78Å; L88-D93 HydrophobicContact CG-CB 4.4Å; L88-D93 WeakPolarHBondContact O-CB 3.45Å; L88-D93 PolarHBondContact O-N 3.38Å; L88-A96 HydrophobicContact CB-CB 4.25Å; L88-V104 HydrophobicContact CD1-CG1 3.89Å; L88-L105 HydrophobicContact CD1-CD2 3.66Å; L88-L105 HydrophobicContact CD1-CG 3.86Å
89V95.2Very high93.3Very high52 Ų5250.7 Ų50.732%0.31528%0.276SS..Hα-helixtrans-65-50.1176.3174.50000111N85 A86 F87 T91 R92 A96 D101 V104N85-V89 WeakPolarHBondContact O-CG2 3.36Å; N85-V89 PolarHBondContact O-N 3.43Å; A86-V89 PolarHBondContact O-N 2.95Å; F87-V89 VanDerWaalsContact C-N 3.32Å; F87-V89 PolarHBondContact O-N 3.18Å; V89-T91 PolarHBondContact O-N 3.45Å; V89-R92 PolarHBondContact O-N 2.84Å; V89-A96 HydrophobicContact CG2-CB 4.16Å; V89-D101 HydrophobicContact CG1-CB 4.18Å; V89-D101 HydrophobicContact CG2-CB 3.75Å; V89-V104 HydrophobicContact CG2-CG2 4.3Å
90A92.9Very high93.7Very high52 Ų5253.2 Ų53.243%0.4329%0.29SS..Hα-helixtrans-60.7-34.7-178.100000112.9A86 F87A86-A90 VanDerWaalsContact O-CB 3.29Å; A86-A90 WeakPolarHBondContact O-CB 3.37Å; A86-A90 PolarHBondContact O-N 2.95Å; F87-A90 PolarHBondContact O-N 2.85Å
91T94.4Very high94.1Very high26 Ų2656.1 Ų56.116%0.1631%0.306CS..THydrogen-bonded Turntrans-91.12.2179.860.30000113.9F87 L88 V89 D93F87-T91 HydrophobicContact CD1-CG2 4.4Å; F87-T91 HydrophobicContact CD2-CG2 4.26Å; F87-T91 HydrophobicContact CE1-CG2 4.03Å; F87-T91 HydrophobicContact CE2-CG2 3.89Å; F87-T91 HydrophobicContact CZ-CG2 3.75Å; F87-T91 WeakPolarHBondContact O-CB 3.47Å; F87-T91 WeakPolarHBondContact O-CG2 3.34Å; F87-T91 PolarHBondContact O-N 3.44Å; F87-T91 PolarHBondContact O-OG1 3.5Å; L88-T91 PolarHBondContact O-OG1 2.91Å; V89-T91 PolarHBondContact O-N 3.45Å; T91-D93 PolarHBondContact O-N 2.78Å
92R95.5Very high94.4Very high193 Ų19362.4 Ų62.473%0.72832%0.323SS*.THydrogen-bonded Turntrans5342.7-175.6-55.7-176.8-179.195.90.9112.2L88 V89 I97L88-R92 PolarHBondContact O-N 3.02Å; L88-R92 VanDerWaalsContact O-N 3.17Å; V89-R92 PolarHBondContact O-N 2.84Å; R92-I97 HydrophobicContact CB-CD1 4.42Å
93D96.7Very high95Very high43 Ų4362.9 Ų62.923%0.2333%0.326CS..  trans-55.4141176.4-171.8-81.6000109.9L88 T91 K95 A96 I97L88-D93 HydrophobicContact CB-CB 3.93Å; L88-D93 HydrophobicContact CD2-CB 3.78Å; L88-D93 HydrophobicContact CG-CB 4.4Å; L88-D93 WeakPolarHBondContact O-CB 3.45Å; L88-D93 PolarHBondContact O-N 3.38Å; T91-D93 PolarHBondContact O-N 2.78Å; D93-K95 PolarHBondContact O-N 3.38Å; D93-K95 WeakPolarHBondContact OD1-CB 3.17Å; D93-K95 PolarHBondContact OD1-N 2.86Å; D93-A96 WeakPolarHBondContact O-CA 3.46Å; D93-A96 WeakPolarHBondContact O-CB 3.23Å; D93-A96 PolarHBondContact O-N 2.92Å; D93-I97 PolarHBondContact O-N 3.37Å; D93-I97 VanDerWaalsContact O-N 3.14Å
94P97.9Very high95.5Very high96 Ų9661.5 Ų61.562%0.62332%0.321SS*.Hα-helixtrans-51.7-31.6178.1-29.436.1000114.5T98P94-T98 WeakPolarHBondContact O-CB 3.37Å; P94-T98 PolarHBondContact O-N 3.41Å; P94-T98 PolarHBondContact O-OG1 3.29Å
95K97.5Very high95.8Very high57 Ų5759.7 Ų59.725%0.24831%0.311CS..Hα-helixtrans-65.5-43.9174-68.2171.4176.5540111.5D93 I97 T98 Y99 V104 H108D93-K95 PolarHBondContact O-N 3.38Å; D93-K95 WeakPolarHBondContact OD1-CB 3.17Å; D93-K95 PolarHBondContact OD1-N 2.86Å; K95-I97 VanDerWaalsContact C-N 3.31Å; K95-I97 PolarHBondContact O-N 3.07Å; K95-T98 WeakPolarHBondContact O-CB 3.37Å; K95-T98 PolarHBondContact O-N 3.35Å; K95-T98 VanDerWaalsContact O-N 3.13Å; K95-Y99 VanDerWaalsContact O-CD2 3.25Å; K95-Y99 WeakPolarHBondContact O-CD2 3.42Å; K95-Y99 PolarHBondContact O-N 3.26Å; K95-V104 VanDerWaalsContact C-CG1 3.46Å; K95-V104 HydrophobicContact CB-CG1 3.67Å; K95-H108 VanDerWaalsContact CE-CE1 3.45Å; K95-H108 WeakPolarHBondContact CE-CE1 3.4Å; K95-H108 WeakPolarHBondContact CE-NE2 2.92Å
96A97.9Very high96Very high0 Ų059.2 Ų59.20%031%0.308CS..Hα-helixtrans-61.2-42.6178.600000111.1L88 V89 D93 Y99 N100 D101 V104L88-A96 HydrophobicContact CB-CB 4.25Å; V89-A96 HydrophobicContact CG2-CB 4.16Å; D93-A96 WeakPolarHBondContact O-CA 3.46Å; D93-A96 WeakPolarHBondContact O-CB 3.23Å; D93-A96 PolarHBondContact O-N 2.92Å; A96-Y99 CarbonylContact O-C 3.5Å; A96-Y99 PolarHBondContact O-N 3.06Å; A96-N100 WeakPolarHBondContact O-CA 3.47Å; A96-N100 PolarHBondContact O-N 3.27Å; A96-D101 PolarHBondContact O-N 2.97Å; A96-V104 HydrophobicContact CB-CG1 4.2Å; A96-V104 HydrophobicContact CB-CG2 4.19Å
97I97.9Very high96.3Very high104 Ų10458.9 Ų58.953%0.53330%0.299SS..Hα-helixtrans-62.8-43.4173.1-55.1-56.9000111.6R92 D93 K95 Y99 N100R92-I97 HydrophobicContact CB-CD1 4.42Å; D93-I97 PolarHBondContact O-N 3.37Å; D93-I97 VanDerWaalsContact O-N 3.14Å; K95-I97 VanDerWaalsContact C-N 3.31Å; K95-I97 PolarHBondContact O-N 3.07Å; I97-Y99 PolarHBondContact O-N 3.04Å; I97-N100 PolarHBondContact O-N 3.09Å
98T98.1Very high96.5Very high93 Ų9359.6 Ų59.657%0.57130%0.302SS*.Hα-helixtrans-61.8-43.4-179.7-60.50000112P94 K95P94-T98 WeakPolarHBondContact O-CB 3.37Å; P94-T98 PolarHBondContact O-N 3.41Å; P94-T98 PolarHBondContact O-OG1 3.29Å; K95-T98 WeakPolarHBondContact O-CB 3.37Å; K95-T98 PolarHBondContact O-N 3.35Å; K95-T98 VanDerWaalsContact O-N 3.13Å
99Y97.9Very high96.5Very high45 Ų4559.5 Ų59.518%0.17630%0.301CS..THydrogen-bonded Turntrans-96.810.5-177.5-61.6-64.2000113.5K95 A96 I97 D101 R102 V104 N107 H108 S111K95-Y99 VanDerWaalsContact O-CD2 3.25Å; K95-Y99 WeakPolarHBondContact O-CD2 3.42Å; K95-Y99 PolarHBondContact O-N 3.26Å; A96-Y99 CarbonylContact O-C 3.5Å; A96-Y99 PolarHBondContact O-N 3.06Å; I97-Y99 PolarHBondContact O-N 3.04Å; Y99-D101 VanDerWaalsContact C-N 3.25Å; Y99-D101 PolarHBondContact O-N 3.48Å; Y99-R102 PolarHBondContact O-N 2.88Å; Y99-R102 VanDerWaalsContact O-N 3.12Å; Y99-V104 HydrophobicContact CD2-CG1 4.26Å; Y99-V104 WeakPolarHBondContact CD2-O 3.32Å; Y99-N107 HydrophobicContact CD1-CB 3.41Å; Y99-N107 VanDerWaalsContact CD1-CB 3.41Å; Y99-N107 HydrophobicContact CD2-CB 4.2Å; Y99-N107 HydrophobicContact CE1-CB 3.53Å; Y99-N107 HydrophobicContact CE2-CB 4.31Å; Y99-N107 HydrophobicContact CG-CB 3.77Å; Y99-N107 PolarHBondContact OH-O 3.24Å; Y99-H108 HydrophobicContact CE2-CB 3.77Å; Y99-S111 VanDerWaalsContact OH-CB 3.3Å; Y99-S111 WeakPolarHBondContact OH-CB 3.31Å
100N97.8Very high96.5Very high120 Ų12057.6 Ų57.664%0.64229%0.289SS*.THydrogen-bonded Turntrans50.145.4177.1-53.1-82.9000112.6A96 I97 R102A96-N100 WeakPolarHBondContact O-CA 3.47Å; A96-N100 PolarHBondContact O-N 3.27Å; I97-N100 PolarHBondContact O-N 3.09Å; N100-R102 PolarHBondContact O-N 3.13Å; N100-R102 VanDerWaalsContact O-N 3.08Å
101D97.1Very high96.7Very high80 Ų8057 Ų5743%0.42828%0.283SS..THydrogen-bonded Turntrans59.815.7178.6-51-30.4000115.4V89 A96 Y99V89-D101 HydrophobicContact CG1-CB 4.18Å; V89-D101 HydrophobicContact CG2-CB 3.75Å; A96-D101 PolarHBondContact O-N 2.97Å; Y99-D101 VanDerWaalsContact C-N 3.25Å; Y99-D101 PolarHBondContact O-N 3.48Å
102R95.4Very high96.7Very high180 Ų18056.5 Ų56.568%0.67928%0.28SS*.SBendtrans-106.5114.9179.2-65.7179.3-175.1-166.8-0.4110.6Y99 N100 V104 N107Y99-R102 PolarHBondContact O-N 2.88Å; Y99-R102 VanDerWaalsContact O-N 3.12Å; N100-R102 PolarHBondContact O-N 3.13Å; N100-R102 VanDerWaalsContact O-N 3.08Å; R102-V104 PolarHBondContact O-N 2.83Å; R102-V104 VanDerWaalsContact O-N 3.15Å; R102-N107 PolarHBondContact O-ND2 2.96Å
103S95.1Very high96.5Very high11 Ų1147.3 Ų47.38%0.07725%0.245CC..SBendtrans40.856176.7-51.40000111.2L105 E106 N107 D148 Y151S103-L105 VanDerWaalsContact C-N 3.33Å; S103-L105 PolarHBondContact O-N 2.65Å; S103-E106 WeakPolarHBondContact CA-OE2 3.44Å; S103-E106 WeakPolarHBondContact CB-OE2 3.35Å; S103-E106 PolarHBondContact O-N 2.98Å; S103-N107 WeakPolarHBondContact O-CB 3.4Å; S103-N107 PolarHBondContact O-N 3.34Å; S103-N107 PolarHBondContact O-ND2 3.41Å; S103-D148 WeakPolarHBondContact CA-OD2 3.37Å; S103-D148 VanDerWaalsContact CB-OD2 3.32Å; S103-D148 WeakPolarHBondContact CB-OD2 3.23Å; S103-D148 PolarHBondContact OG-OD2 2.89Å; S103-Y151 WeakPolarHBondContact OG-CE2 3.5Å
104V97.9Very high96.3Very high0 Ų046.3 Ų46.30%024%0.238CC..Hα-helixtrans-62.7-45.3-162.7173.50000110.2N85 L88 V89 K95 A96 Y99 R102 H108N85-V104 WeakPolarHBondContact OD1-CB 3.46Å; N85-V104 PolarHBondContact OD1-N 2.93Å; L88-V104 HydrophobicContact CD1-CG1 3.89Å; V89-V104 HydrophobicContact CG2-CG2 4.3Å; K95-V104 VanDerWaalsContact C-CG1 3.46Å; K95-V104 HydrophobicContact CB-CG1 3.67Å; A96-V104 HydrophobicContact CB-CG1 4.2Å; A96-V104 HydrophobicContact CB-CG2 4.19Å; Y99-V104 HydrophobicContact CD2-CG1 4.26Å; Y99-V104 WeakPolarHBondContact CD2-O 3.32Å; R102-V104 PolarHBondContact O-N 2.83Å; R102-V104 VanDerWaalsContact O-N 3.15Å; V104-H108 WeakPolarHBondContact O-CB 3.12Å; V104-H108 PolarHBondContact O-N 3.14Å
105L95.9Very high96Very high5 Ų548.7 Ų48.73%0.02624%0.238CC..Hα-helixtrans-68.3-49.1177.7-75.1170.1000111P81 R83 N85 L88 S103 N107 H108 H109P81-L105 VanDerWaalsContact CD-CD2 3.41Å; P81-L105 HydrophobicContact CG-CD2 3.71Å; R83-L105 VanDerWaalsContact O-CD1 3.27Å; R83-L105 WeakPolarHBondContact O-CD1 3.44Å; N85-L105 WeakPolarHBondContact OD1-CB 3.48Å; N85-L105 WeakPolarHBondContact OD1-CG 3.5Å; N85-L105 PolarHBondContact OD1-N 2.73Å; L88-L105 HydrophobicContact CD1-CD2 3.66Å; L88-L105 HydrophobicContact CD1-CG 3.86Å; S103-L105 VanDerWaalsContact C-N 3.33Å; S103-L105 PolarHBondContact O-N 2.65Å; L105-N107 PolarHBondContact O-N 3.27Å; L105-H108 CarbonylContact O-C 3.45Å; L105-H108 WeakPolarHBondContact O-CA 3.37Å; L105-H108 VanDerWaalsContact O-CB 3.31Å; L105-H108 WeakPolarHBondContact O-CB 3.32Å; L105-H108 PolarHBondContact O-N 2.71Å; L105-H109 PolarHBondContact O-CD2 3.03Å; L105-H109 PolarHBondContact O-N 3.17Å; L105-H109 PolarHBondContact O-ND1 3.28Å; L105-H109 PolarHBondContact O-NE2 2.93Å
106E96.4Very high95.7Very high18 Ų1846.7 Ų46.78%0.08423%0.231CC..Hα-helixtrans-63.9-42.3-174.7-58.773.3-15500111.2N85 S103 H108 H109 I110 L145 D148N85-E106 PolarHBondContact ND2-OE1 3.18Å; N85-E106 PolarHBondContact ND2-OE2 3.27Å; S103-E106 WeakPolarHBondContact CA-OE2 3.44Å; S103-E106 WeakPolarHBondContact CB-OE2 3.35Å; S103-E106 PolarHBondContact O-N 2.98Å; E106-H108 VanDerWaalsContact C-N 3.32Å; E106-H108 PolarHBondContact O-N 3.18Å; E106-H109 PolarHBondContact O-N 3.28Å; E106-I110 WeakPolarHBondContact O-CD1 3.22Å; E106-I110 VanDerWaalsContact O-CG1 3.31Å; E106-I110 WeakPolarHBondContact O-CG1 3.37Å; E106-I110 PolarHBondContact O-N 3.22Å; E106-I110 VanDerWaalsContact O-N 3.15Å; E106-L145 HydrophobicContact CB-CD2 4.08Å; E106-D148 HydrophobicContact CG-CB 3.86Å
107N97.8Very high95.2Very high51 Ų5147 Ų4727%0.27323%0.233SC..Hα-helixtrans-63.1-38.2171.5-81.2-74.2000112.6Y99 R102 S103 L105 S111Y99-N107 HydrophobicContact CD1-CB 3.41Å; Y99-N107 VanDerWaalsContact CD1-CB 3.41Å; Y99-N107 HydrophobicContact CD2-CB 4.2Å; Y99-N107 HydrophobicContact CE1-CB 3.53Å; Y99-N107 HydrophobicContact CE2-CB 4.31Å; Y99-N107 HydrophobicContact CG-CB 3.77Å; Y99-N107 PolarHBondContact OH-O 3.24Å; R102-N107 PolarHBondContact O-ND2 2.96Å; S103-N107 WeakPolarHBondContact O-CB 3.4Å; S103-N107 PolarHBondContact O-N 3.34Å; S103-N107 PolarHBondContact O-ND2 3.41Å; L105-N107 PolarHBondContact O-N 3.27Å; N107-S111 VanDerWaalsContact O-CB 3.29Å; N107-S111 WeakPolarHBondContact O-CB 3.36Å; N107-S111 PolarHBondContact O-N 3Å
108H97.4Very high94.7Very high22 Ų2247.6 Ų47.610%0.10224%0.235CC..Hα-helixtrans-65.6-44.6176.4179.570.5000111.5D79 K95 Y99 V104 L105 E106 I110 S111 S112D79-H108 IonicContact OD2-CD2 2.81Å; D79-H108 IonicContact OD2-CE1 3.26Å; D79-H108 PolarHBondContact OD2-CE1 2.73Å; D79-H108 IonicContact OD2-NE2 3.15Å; D79-H108 PolarHBondContact OD2-NE2 3.4Å; K95-H108 VanDerWaalsContact CE-CE1 3.45Å; K95-H108 WeakPolarHBondContact CE-CE1 3.4Å; K95-H108 WeakPolarHBondContact CE-NE2 2.92Å; Y99-H108 HydrophobicContact CE2-CB 3.77Å; V104-H108 WeakPolarHBondContact O-CB 3.12Å; V104-H108 PolarHBondContact O-N 3.14Å; L105-H108 CarbonylContact O-C 3.45Å; L105-H108 WeakPolarHBondContact O-CA 3.37Å; L105-H108 VanDerWaalsContact O-CB 3.31Å; L105-H108 WeakPolarHBondContact O-CB 3.32Å; L105-H108 PolarHBondContact O-N 2.71Å; E106-H108 VanDerWaalsContact C-N 3.32Å; E106-H108 PolarHBondContact O-N 3.18Å; H108-I110 PolarHBondContact O-N 3.13Å; H108-S111 PolarHBondContact O-N 3.1Å; H108-S112 VanDerWaalsContact O-CB 3.23Å; H108-S112 WeakPolarHBondContact O-CB 3.4Å; H108-S112 PolarHBondContact O-N 2.96Å; H108-S112 PolarHBondContact O-OG 2.91Å
109H94.4Very high94.2Very high1 Ų149.2 Ų49.21%0.00523%0.23CC..Hα-helixtrans-56.6-51.1178.3-58.9-36.5000110.8H76 D77 H78 H80 L105 E106 S111 S112 A113 V144H76-H109 VanDerWaalsContact O-CB 3.23Å; H76-H109 WeakPolarHBondContact O-CB 3.45Å; H76-H109 PolarHBondContact O-CD2 3.37Å; D77-H109 IonicContact OD1-NE2 3.56Å; H78-H109 PolarHBondContact O-ND1 3.23Å; H80-H109 AromaticContact CD2-CE1 3.77Å; H80-H109 AromaticContact CD2-NE2 3.6Å; L105-H109 PolarHBondContact O-CD2 3.03Å; L105-H109 PolarHBondContact O-N 3.17Å; L105-H109 PolarHBondContact O-ND1 3.28Å; L105-H109 PolarHBondContact O-NE2 2.93Å; E106-H109 PolarHBondContact O-N 3.28Å; H109-S111 PolarHBondContact O-N 3.37Å; H109-S112 PolarHBondContact O-OG 3.42Å; H109-A113 WeakPolarHBondContact O-CB 3.45Å; H109-A113 PolarHBondContact O-N 2.86Å; H109-V144 HydrophobicContact CB-CG1 4.37Å
110I95.5Very high93.8Very high12 Ų1255.6 Ų55.66%0.06226%0.262CS..Hα-helixtrans-57.8-53.6175.8-64.9164000111.1E106 H108 S112 W114 I141 V144 L145E106-I110 WeakPolarHBondContact O-CD1 3.22Å; E106-I110 VanDerWaalsContact O-CG1 3.31Å; E106-I110 WeakPolarHBondContact O-CG1 3.37Å; E106-I110 PolarHBondContact O-N 3.22Å; E106-I110 VanDerWaalsContact O-N 3.15Å; H108-I110 PolarHBondContact O-N 3.13Å; I110-S112 PolarHBondContact O-N 3.46Å; I110-W114 WeakPolarHBondContact O-CB 3.47Å; I110-W114 PolarHBondContact O-N 3.41Å; I110-I141 HydrophobicContact CD1-CB 4.49Å; I110-I141 HydrophobicContact CD1-CG2 4.21Å; I110-I141 HydrophobicContact CG2-CG1 3.85Å; I110-V144 HydrophobicContact CD1-CB 3.91Å; I110-V144 HydrophobicContact CD1-CG1 3.98Å; I110-V144 HydrophobicContact CG1-CB 3.7Å; I110-V144 HydrophobicContact CG1-CG1 3.58Å; I110-V144 HydrophobicContact CG1-CG2 4.31Å; I110-L145 HydrophobicContact CD1-CD2 3.95Å; I110-L145 HydrophobicContact CD1-CG 3.76Å
111S96.1Very high93.2Very high41 Ų4154.3 Ų54.329%0.28725%0.252SS..Hα-helixtrans-64.4-42.4-173.5-1720000112Y99 N107 H108 H109 K115Y99-S111 VanDerWaalsContact OH-CB 3.3Å; Y99-S111 WeakPolarHBondContact OH-CB 3.31Å; N107-S111 VanDerWaalsContact O-CB 3.29Å; N107-S111 WeakPolarHBondContact O-CB 3.36Å; N107-S111 PolarHBondContact O-N 3Å; H108-S111 PolarHBondContact O-N 3.1Å; H109-S111 PolarHBondContact O-N 3.37Å; S111-K115 WeakPolarHBondContact O-CG 3.36Å; S111-K115 PolarHBondContact O-N 3.31Å
112S94Very high92.6Very high14 Ų1450.8 Ų50.810%0.09823%0.233CC..Hα-helixtrans-71.3-42.6-179.259.40000111.9H78 H108 H109 I110 K115H78-S112 PolarHBondContact CE1-OG 3.46Å; H78-S112 PolarHBondContact ND1-OG 3.35Å; H108-S112 VanDerWaalsContact O-CB 3.23Å; H108-S112 WeakPolarHBondContact O-CB 3.4Å; H108-S112 PolarHBondContact O-N 2.96Å; H108-S112 PolarHBondContact O-OG 2.91Å; H109-S112 PolarHBondContact O-OG 3.42Å; I110-S112 PolarHBondContact O-N 3.46Å; S112-K115 PolarHBondContact O-N 3.26Å
113A92.5Very high92.2Very high0 Ų044.7 Ų44.70%021%0.212CC..Hα-helixtrans-63.3-43.8175.800000112I75 H78 H109 K115 V116 L117I75-A113 HydrophobicContact CB-CB 3.79Å; I75-A113 HydrophobicContact CD1-CB 3.88Å; I75-A113 HydrophobicContact CG1-CB 4.4Å; I75-A113 HydrophobicContact CG2-CB 4.04Å; H78-A113 HydrophobicContact CB-CB 4.1Å; H78-A113 PolarHBondContact ND1-N 3.21Å; H109-A113 WeakPolarHBondContact O-CB 3.45Å; H109-A113 PolarHBondContact O-N 2.86Å; A113-K115 VanDerWaalsContact C-N 3.3Å; A113-K115 PolarHBondContact O-N 3.14Å; A113-V116 WeakPolarHBondContact O-CA 3.31Å; A113-V116 WeakPolarHBondContact O-CB 3.47Å; A113-V116 PolarHBondContact O-N 2.91Å; A113-L117 PolarHBondContact O-N 3.12Å
114W92.5Very high92Very high22 Ų2245.5 Ų45.58%0.08321%0.214CC..Hα-helixtrans-63.1-33.5177.7-93.3179.7000113.4T71 I75 I110 V116 L117 M118 F136 R137 V140T71-W114 HydrophobicContact CG2-CH2 4.15Å; T71-W114 HydrophobicContact CG2-CZ3 4.12Å; I75-W114 HydrophobicContact CD1-CE3 4.26Å; I75-W114 HydrophobicContact CD1-CZ3 4.06Å; I110-W114 WeakPolarHBondContact O-CB 3.47Å; I110-W114 PolarHBondContact O-N 3.41Å; W114-V116 PolarHBondContact O-N 3.1Å; W114-L117 HydrophobicContact CE3-CB 3.99Å; W114-L117 HydrophobicContact CE3-CD1 3.42Å; W114-L117 VanDerWaalsContact CE3-CD1 3.42Å; W114-L117 HydrophobicContact CE3-CG 4.28Å; W114-L117 HydrophobicContact CH2-CD1 4.29Å; W114-L117 HydrophobicContact CZ3-CB 4.3Å; W114-L117 HydrophobicContact CZ3-CD1 3.13Å; W114-L117 HydrophobicContact CZ3-CG 4.31Å; W114-L117 PolarHBondContact O-N 2.84Å; W114-M118 VanDerWaalsContact O-CB 3.25Å; W114-M118 WeakPolarHBondContact O-CB 3Å; W114-M118 WeakPolarHBondContact O-CG 3.45Å; W114-M118 PolarHBondContact O-N 2.89Å; W114-F136 AromaticContact CH2-CE1 3.65Å; W114-F136 HydrophobicContact CH2-CE1 3.65Å; W114-F136 HydrophobicContact CH2-CZ 4.25Å; W114-F136 HydrophobicContact CZ2-CE1 4.06Å; W114-R137 HydrophobicContact CZ2-CG 4.39Å; W114-V140 HydrophobicContact CH2-CB 4.2Å; W114-V140 HydrophobicContact CH2-CG1 3.8Å; W114-V140 HydrophobicContact CH2-CG2 4.08Å; W114-V140 HydrophobicContact CZ2-CB 4.17Å; W114-V140 HydrophobicContact CZ2-CG1 4Å; W114-V140 HydrophobicContact CZ2-CG2 4.39Å; W114-V140 HydrophobicContact CZ3-CG1 4.32Å
115K91.8Very high91.6Very high146 Ų14646 Ų4664%0.63522%0.217SC*.Hα-helixtrans-61.5-26.6172.7-73.5167.1-175.2169.70112.6S111 S112 A113S111-K115 WeakPolarHBondContact O-CG 3.36Å; S111-K115 PolarHBondContact O-N 3.31Å; S112-K115 PolarHBondContact O-N 3.26Å; A113-K115 VanDerWaalsContact C-N 3.3Å; A113-K115 PolarHBondContact O-N 3.14Å
116V90.1Very high91.3Very high16 Ų1650 Ų5010%0.09724%0.235CC..Hα-helixtrans-87.3-42177.6-177.20000111.3V16 A113 W114 M118 R119 N122V16-V116 HydrophobicContact CB-CG1 4.43Å; V16-V116 HydrophobicContact CG1-CB 4.18Å; V16-V116 HydrophobicContact CG1-CG1 3.89Å; V16-V116 HydrophobicContact CG1-CG2 3.82Å; V16-V116 HydrophobicContact CG2-CG1 3.56Å; A113-V116 WeakPolarHBondContact O-CA 3.31Å; A113-V116 WeakPolarHBondContact O-CB 3.47Å; A113-V116 PolarHBondContact O-N 2.91Å; W114-V116 PolarHBondContact O-N 3.1Å; V116-M118 VanDerWaalsContact C-N 3.34Å; V116-M118 PolarHBondContact O-N 3.01Å; V116-R119 WeakPolarHBondContact O-CB 3.48Å; V116-R119 WeakPolarHBondContact O-CG 3.32Å; V116-R119 PolarHBondContact O-N 3.43Å; V116-N122 WeakPolarHBondContact O-CB 3.23Å; V116-N122 PolarHBondContact O-ND2 3.43Å
117L87.3Confident91.1Very high7 Ų755.2 Ų55.24%0.03726%0.264CS..Hα-helixtrans-71.6-26.1-179.2-76171.2000113.7Y13 T71 I75 A113 W114 R119 N122 F123 F124Y13-L117 HydrophobicContact CD2-CD1 4.3Å; Y13-L117 HydrophobicContact CD2-CD2 3.64Å; Y13-L117 HydrophobicContact CD2-CG 4.01Å; Y13-L117 HydrophobicContact CE2-CD1 4.09Å; Y13-L117 HydrophobicContact CE2-CD2 4.25Å; Y13-L117 HydrophobicContact CE2-CG 4.15Å; Y13-L117 HydrophobicContact CG-CD2 4.34Å; T71-L117 HydrophobicContact CG2-CD1 4.45Å; I75-L117 HydrophobicContact CG2-CD1 4.2Å; A113-L117 PolarHBondContact O-N 3.12Å; W114-L117 HydrophobicContact CE3-CB 3.99Å; W114-L117 HydrophobicContact CE3-CD1 3.42Å; W114-L117 VanDerWaalsContact CE3-CD1 3.42Å; W114-L117 HydrophobicContact CE3-CG 4.28Å; W114-L117 HydrophobicContact CH2-CD1 4.29Å; W114-L117 HydrophobicContact CZ3-CB 4.3Å; W114-L117 HydrophobicContact CZ3-CD1 3.13Å; W114-L117 HydrophobicContact CZ3-CG 4.31Å; W114-L117 PolarHBondContact O-N 2.84Å; L117-R119 PolarHBondContact O-N 2.92Å; L117-N122 CarbonylContact O-C 3.57Å; L117-F123 WeakPolarHBondContact O-CA 3.33Å; L117-F123 WeakPolarHBondContact O-CD2 3.23Å; L117-F123 PolarHBondContact O-N 3.21Å; L117-F124 HydrophobicContact CD2-CD1 4.02Å; L117-F124 HydrophobicContact CD2-CE1 3.84Å
118M87.5Confident90.8Very high116 Ų11654.6 Ų54.657%0.57126%0.26SS*.THydrogen-bonded Turntrans-76.5-1.2174.9-70.7-63.9-5500114.1W114 V116 F123W114-M118 VanDerWaalsContact O-CB 3.25Å; W114-M118 WeakPolarHBondContact O-CB 3Å; W114-M118 WeakPolarHBondContact O-CG 3.45Å; W114-M118 PolarHBondContact O-N 2.89Å; V116-M118 VanDerWaalsContact C-N 3.34Å; V116-M118 PolarHBondContact O-N 3.01Å; M118-F123 HydrophobicContact CE-CE2 4.38Å; M118-F123 HydrophobicContact SD-CD2 4.13Å; M118-F123 HydrophobicContact SD-CE2 3.7Å
119R88.9Confident90.6Very high127 Ų12756.3 Ų56.348%0.47928%0.275SS..SBendtrans-72.2139.4171.9-60.5-178.7-173.8177.32.1108.9V116 L117 E121 N122 F123V116-R119 WeakPolarHBondContact O-CB 3.48Å; V116-R119 WeakPolarHBondContact O-CG 3.32Å; V116-R119 PolarHBondContact O-N 3.43Å; L117-R119 PolarHBondContact O-N 2.92Å; R119-E121 WeakPolarHBondContact CB-OE2 3.18Å; R119-E121 PolarHBondContact O-N 2.96Å; R119-E121 VanDerWaalsContact O-N 3.14Å; R119-N122 HydrophobicContact CB-CB 4.46Å; R119-N122 CarbonylContact O-C 3.59Å; R119-N122 PolarHBondContact O-N 3.38Å; R119-F123 PolarHBondContact O-N 2.9Å
120E88.1Confident90.6Very high179 Ų17961.5 Ų61.584%0.83631%0.307SS*.G310 helixtrans-52.1-40.7-176.7-172.6178.3178.900111.4N122E120-N122 PolarHBondContact O-N 3.37Å
121E85.9Confident90.3Very high92 Ų9265.3 Ų65.343%0.4334%0.335SS..G310 helixtrans-73-7.9179.471.6-86.4-161.800115.5G9 K12 R119G9-E121 WeakPolarHBondContact CA-O 3.46Å; K12-E121 HydrophobicContact CD-CG 4.18Å; R119-E121 WeakPolarHBondContact CB-OE2 3.18Å; R119-E121 PolarHBondContact O-N 2.96Å; R119-E121 VanDerWaalsContact O-N 3.14Å
122N84.9Confident90Very high7 Ų767.2 Ų67.24%0.03734%0.339CS..G310 helixtrans-121.5-5.1-177.4-64-26.3000112.9K12 V116 L117 R119 E120 F124K12-N122 VanDerWaalsContact CB-OD1 3.28Å; K12-N122 WeakPolarHBondContact CB-OD1 3.26Å; V116-N122 WeakPolarHBondContact O-CB 3.23Å; V116-N122 PolarHBondContact O-ND2 3.43Å; L117-N122 CarbonylContact O-C 3.57Å; R119-N122 HydrophobicContact CB-CB 4.46Å; R119-N122 CarbonylContact O-C 3.59Å; R119-N122 PolarHBondContact O-N 3.38Å; E120-N122 PolarHBondContact O-N 3.37Å; N122-F124 VanDerWaalsContact C-N 3.26Å; N122-F124 PolarHBondContact O-N 3.12Å
123F87.4Confident89.9Confident52 Ų5269 Ų6923%0.22835%0.347CS..  trans-79.968.2-170.1-166.9-118.7000112.4L117 M118 R119 V125 E126 L133L117-F123 WeakPolarHBondContact O-CA 3.33Å; L117-F123 WeakPolarHBondContact O-CD2 3.23Å; L117-F123 PolarHBondContact O-N 3.21Å; M118-F123 HydrophobicContact CE-CE2 4.38Å; M118-F123 HydrophobicContact SD-CD2 4.13Å; M118-F123 HydrophobicContact SD-CE2 3.7Å; R119-F123 PolarHBondContact O-N 2.9Å; F123-V125 HydrophobicContact CD2-CG2 4.07Å; F123-V125 HydrophobicContact CE2-CG2 3.61Å; F123-V125 HydrophobicContact CZ-CG2 3.87Å; F123-V125 PolarHBondContact O-N 2.89Å; F123-V125 VanDerWaalsContact O-N 3.1Å; F123-E126 HydrophobicContact CD1-CB 3.77Å; F123-E126 HydrophobicContact CE1-CB 4.13Å; F123-E126 WeakPolarHBondContact O-CB 3.45Å; F123-E126 PolarHBondContact O-N 3.26Å; F123-L133 HydrophobicContact CZ-CD1 4.25Å; F123-L133 HydrophobicContact CZ-CD2 4.11Å
124F90.3Very high89.7Confident28 Ų2873.9 Ų73.912%0.12337%0.373CS..THydrogen-bonded Turntrans-65.6-14.5-17372.4-87.3000115F10 M67 T71 L117 N122 E126 F136F10-F124 HydrophobicContact CD2-CB 4.37Å; F10-F124 HydrophobicContact CD2-CD1 4.06Å; F10-F124 AromaticContact CD2-CD2 3.89Å; F10-F124 HydrophobicContact CD2-CD2 3.89Å; F10-F124 HydrophobicContact CD2-CE1 4.29Å; F10-F124 HydrophobicContact CD2-CE2 4.12Å; F10-F124 AromaticContact CD2-CG 3.85Å; F10-F124 HydrophobicContact CD2-CG 3.85Å; F10-F124 HydrophobicContact CD2-CZ 4.31Å; F10-F124 HydrophobicContact CE2-CD2 4.29Å; F10-F124 HydrophobicContact CE2-CE1 4.36Å; F10-F124 HydrophobicContact CE2-CE2 4.05Å; F10-F124 HydrophobicContact CE2-CZ 4.09Å; M67-F124 HydrophobicContact CG-CE2 4.29Å; M67-F124 HydrophobicContact SD-CE2 3.96Å; T71-F124 HydrophobicContact CG2-CZ 4.18Å; L117-F124 HydrophobicContact CD2-CD1 4.02Å; L117-F124 HydrophobicContact CD2-CE1 3.84Å; N122-F124 VanDerWaalsContact C-N 3.26Å; N122-F124 PolarHBondContact O-N 3.12Å; F124-E126 VanDerWaalsContact C-N 3.35Å; F124-F136 HydrophobicContact CE2-CZ 4.4Å; F124-F136 AromaticContact CZ-CZ 3.9Å; F124-F136 HydrophobicContact CZ-CZ 3.9Å
125V89.2Confident89.3Confident10 Ų1075.4 Ų75.46%0.06139%0.386CS..THydrogen-bonded Turntrans-9416.1179.1-64.80000113.6M67 F123 N127 L128 L133 F136M67-V125 HydrophobicContact CE-CG1 3.86Å; M67-V125 HydrophobicContact SD-CG1 4.45Å; F123-V125 HydrophobicContact CD2-CG2 4.07Å; F123-V125 HydrophobicContact CE2-CG2 3.61Å; F123-V125 HydrophobicContact CZ-CG2 3.87Å; F123-V125 PolarHBondContact O-N 2.89Å; F123-V125 VanDerWaalsContact O-N 3.1Å; V125-N127 PolarHBondContact O-N 3.5Å; V125-N127 VanDerWaalsContact O-N 3.12Å; V125-L128 HydrophobicContact CB-CD1 3.8Å; V125-L128 HydrophobicContact CB-CG 4.08Å; V125-L128 HydrophobicContact CG1-CD1 4.04Å; V125-L128 WeakPolarHBondContact O-CB 3.42Å; V125-L128 PolarHBondContact O-N 3.47Å; V125-L128 VanDerWaalsContact O-N 3.11Å; V125-L133 HydrophobicContact CB-CD1 4.19Å; V125-L133 HydrophobicContact CG2-CD1 3.55Å; V125-F136 HydrophobicContact CG1-CD1 4.22Å; V125-F136 HydrophobicContact CG1-CE1 3.81Å; V125-F136 HydrophobicContact CG1-CE2 4.28Å; V125-F136 HydrophobicContact CG1-CZ 3.84Å; V125-F136 HydrophobicContact CG2-CE1 4.44Å
126E90.1Very high89.2Confident89 Ų8968.6 Ų68.642%0.41636%0.357SS..THydrogen-bonded Turntrans-56.1-26.7-178.165.3-171.4-169.800115.4F123 F124F123-E126 HydrophobicContact CD1-CB 3.77Å; F123-E126 HydrophobicContact CE1-CB 4.13Å; F123-E126 WeakPolarHBondContact O-CB 3.45Å; F123-E126 PolarHBondContact O-N 3.26Å; F124-E126 VanDerWaalsContact C-N 3.35Å
127N92.4Very high89.3Confident128 Ų12873 Ų7368%0.68437%0.372SS*.THydrogen-bonded Turntrans-92.8-2.2-177.3-64.4-62.3000113.4V125V125-N127 PolarHBondContact O-N 3.5Å; V125-N127 VanDerWaalsContact O-N 3.12Å
128L91.1Very high89.3Confident38 Ų3878.2 Ų78.220%0.19940%0.396CS..SBendtrans-68.7139.2172.5-65.2-172000109.8V64 M67 V125 E132 L133 F136V64-L128 HydrophobicContact CG2-CD2 4.31Å; M67-L128 HydrophobicContact CE-CD1 3.82Å; M67-L128 HydrophobicContact CE-CD2 4.18Å; M67-L128 HydrophobicContact CE-CG 4.4Å; V125-L128 HydrophobicContact CB-CD1 3.8Å; V125-L128 HydrophobicContact CB-CG 4.08Å; V125-L128 HydrophobicContact CG1-CD1 4.04Å; V125-L128 WeakPolarHBondContact O-CB 3.42Å; V125-L128 PolarHBondContact O-N 3.47Å; V125-L128 VanDerWaalsContact O-N 3.11Å; L128-E132 HydrophobicContact CB-CB 3.93Å; L128-E132 HydrophobicContact CD1-CB 4.35Å; L128-E132 HydrophobicContact CD2-CB 4.14Å; L128-E132 HydrophobicContact CG-CB 4.37Å; L128-L133 HydrophobicContact CB-CB 4.19Å; L128-L133 HydrophobicContact CD1-CD1 4.48Å; L128-F136 HydrophobicContact CD1-CB 4.02Å; L128-F136 HydrophobicContact CD1-CG 4.23Å
129S93.6Very high89.1Confident57 Ų5775.2 Ų75.240%0.39938%0.38SS..  trans-59.7160.3165.968.30000110.4S131 E132 L133S129-S131 PolarHBondContact O-N 2.98Å; S129-S131 VanDerWaalsContact O-N 3.15Å; S129-E132 WeakPolarHBondContact CB-OE2 3.41Å; S129-E132 PolarHBondContact N-OE2 3.38Å; S129-E132 PolarHBondContact O-N 2.87Å; S129-E132 VanDerWaalsContact O-N 3.09Å; S129-E132 VanDerWaalsContact OG-CD 3.31Å; S129-E132 VanDerWaalsContact OG-CG 3.32Å; S129-E132 WeakPolarHBondContact OG-CG 3.25Å; S129-E132 PolarHBondContact OG-N 3.28Å; S129-E132 PolarHBondContact OG-OE2 3.45Å; S129-L133 WeakPolarHBondContact O-CB 3.46Å; S129-L133 PolarHBondContact O-N 3.17Å
130T93.6Very high89.1Confident111 Ų11169.2 Ų69.268%0.68136%0.357SS*.Hα-helixtrans-55.4-36177.6-520000112.5N134T130-N134 WeakPolarHBondContact O-CB 3.27Å; T130-N134 PolarHBondContact O-N 3.02Å; T130-N134 VanDerWaalsContact O-N 3.08Å; T130-N134 PolarHBondContact O-ND2 3.48Å
131S89.4Confident89.2Confident92 Ų9262.5 Ų62.564%0.64333%0.326SS*.Hα-helixtrans-68.3-45.3177.6-168.20000111.8S129 N134 C135S129-S131 PolarHBondContact O-N 2.98Å; S129-S131 VanDerWaalsContact O-N 3.15Å; S131-N134 PolarHBondContact O-N 3.39Å; S131-C135 WeakPolarHBondContact O-CB 3.22Å; S131-C135 PolarHBondContact O-N 3.06Å
132E90.3Very high89.3Confident81 Ų8162.5 Ų62.538%0.37933%0.326SS..Hα-helixtrans-65.8-41.3177.9-70.7163134.300111.4V64 L128 S129 N134 C135 F136V64-E132 HydrophobicContact CG2-CB 4.32Å; V64-E132 HydrophobicContact CG2-CG 4.24Å; L128-E132 HydrophobicContact CB-CB 3.93Å; L128-E132 HydrophobicContact CD1-CB 4.35Å; L128-E132 HydrophobicContact CD2-CB 4.14Å; L128-E132 HydrophobicContact CG-CB 4.37Å; S129-E132 WeakPolarHBondContact CB-OE2 3.41Å; S129-E132 PolarHBondContact N-OE2 3.38Å; S129-E132 PolarHBondContact O-N 2.87Å; S129-E132 VanDerWaalsContact O-N 3.09Å; S129-E132 VanDerWaalsContact OG-CD 3.31Å; S129-E132 VanDerWaalsContact OG-CG 3.32Å; S129-E132 WeakPolarHBondContact OG-CG 3.25Å; S129-E132 PolarHBondContact OG-N 3.28Å; S129-E132 PolarHBondContact OG-OE2 3.45Å; E132-N134 VanDerWaalsContact C-N 3.33Å; E132-N134 PolarHBondContact O-N 2.91Å; E132-C135 PolarHBondContact O-N 3.45Å; E132-F136 WeakPolarHBondContact O-CB 3.33Å; E132-F136 PolarHBondContact O-N 3Å
133L91.6Very high89.3Confident50 Ų5063.9 Ų63.926%0.26234%0.335SS..Hα-helixtrans-62.9-40.2176.8-177.963000111.8F123 V125 L128 S129 R137F123-L133 HydrophobicContact CZ-CD1 4.25Å; F123-L133 HydrophobicContact CZ-CD2 4.11Å; V125-L133 HydrophobicContact CB-CD1 4.19Å; V125-L133 HydrophobicContact CG2-CD1 3.55Å; L128-L133 HydrophobicContact CB-CB 4.19Å; L128-L133 HydrophobicContact CD1-CD1 4.48Å; S129-L133 WeakPolarHBondContact O-CB 3.46Å; S129-L133 PolarHBondContact O-N 3.17Å; L133-R137 VanDerWaalsContact O-CB 3.25Å; L133-R137 WeakPolarHBondContact O-CB 3.28Å; L133-R137 PolarHBondContact O-N 3.17Å
134N88.1Confident89.5Confident103 Ų10361.4 Ų61.455%0.55132%0.324SS*.Hα-helixtrans-65.8-43.8175.7-74.4-20.3000111.6T130 S131 E132 R137 H138T130-N134 WeakPolarHBondContact O-CB 3.27Å; T130-N134 PolarHBondContact O-N 3.02Å; T130-N134 VanDerWaalsContact O-N 3.08Å; T130-N134 PolarHBondContact O-ND2 3.48Å; S131-N134 PolarHBondContact O-N 3.39Å; E132-N134 VanDerWaalsContact C-N 3.33Å; E132-N134 PolarHBondContact O-N 2.91Å; N134-R137 PolarHBondContact O-N 3.45Å; N134-H138 WeakPolarHBondContact O-CB 3.32Å; N134-H138 PolarHBondContact O-N 3.25Å
135C84.6Confident89.4Confident54 Ų5462 Ų6237%0.36533%0.329SS..Hα-helixtrans-61.6-51.5175.8179.80000111.2S131 E132 R137 H138 F139S131-C135 WeakPolarHBondContact O-CB 3.22Å; S131-C135 PolarHBondContact O-N 3.06Å; E132-C135 PolarHBondContact O-N 3.45Å; C135-R137 PolarHBondContact O-N 3.24Å; C135-H138 PolarHBondContact O-N 3.09Å; C135-F139 WeakPolarHBondContact O-CB 3.32Å; C135-F139 PolarHBondContact O-N 2.99Å
136F88.5Confident89.3Confident3 Ų364.2 Ų64.21%0.01334%0.344CS..Hα-helixtrans-52.2-52.3175.1173.9-98.1000111.5V64 M67 A68 T71 W114 F124 V125 L128 E132 H138 F139 V140V64-F136 HydrophobicContact CG1-CB 3.78Å; V64-F136 HydrophobicContact CG1-CD2 4.44Å; M67-F136 HydrophobicContact CB-CE2 4.37Å; M67-F136 HydrophobicContact CE-CD2 3.68Å; M67-F136 HydrophobicContact CE-CE2 3.78Å; M67-F136 HydrophobicContact CE-CG 4.47Å; M67-F136 HydrophobicContact CG-CE2 3.93Å; A68-F136 HydrophobicContact CB-CD2 3.67Å; A68-F136 HydrophobicContact CB-CE2 4.02Å; A68-F136 HydrophobicContact CB-CG 4.45Å; T71-F136 HydrophobicContact CG2-CZ 3.89Å; T71-F136 WeakPolarHBondContact OG1-CZ 3.29Å; W114-F136 AromaticContact CH2-CE1 3.65Å; W114-F136 HydrophobicContact CH2-CE1 3.65Å; W114-F136 HydrophobicContact CH2-CZ 4.25Å; W114-F136 HydrophobicContact CZ2-CE1 4.06Å; F124-F136 HydrophobicContact CE2-CZ 4.4Å; F124-F136 AromaticContact CZ-CZ 3.9Å; F124-F136 HydrophobicContact CZ-CZ 3.9Å; V125-F136 HydrophobicContact CG1-CD1 4.22Å; V125-F136 HydrophobicContact CG1-CE1 3.81Å; V125-F136 HydrophobicContact CG1-CE2 4.28Å; V125-F136 HydrophobicContact CG1-CZ 3.84Å; V125-F136 HydrophobicContact CG2-CE1 4.44Å; L128-F136 HydrophobicContact CD1-CB 4.02Å; L128-F136 HydrophobicContact CD1-CG 4.23Å; E132-F136 WeakPolarHBondContact O-CB 3.33Å; E132-F136 PolarHBondContact O-N 3Å; F136-H138 PolarHBondContact O-N 2.72Å; F136-F139 PolarHBondContact O-N 2.87Å; F136-V140 HydrophobicContact CE1-CG2 4.18Å; F136-V140 HydrophobicContact CE2-CG2 4.2Å; F136-V140 HydrophobicContact CZ-CG2 4.01Å; F136-V140 WeakPolarHBondContact O-CG2 3.27Å; F136-V140 PolarHBondContact O-N 3.39Å
137R93.2Very high89.3Confident110 Ų11062.7 Ų62.742%0.41534%0.341SS..Hα-helixtrans-61.5-44.6-179.5177.5178.7176.1100.67.3111.8W114 L133 N134 C135 V140 I141W114-R137 HydrophobicContact CZ2-CG 4.39Å; L133-R137 VanDerWaalsContact O-CB 3.25Å; L133-R137 WeakPolarHBondContact O-CB 3.28Å; L133-R137 PolarHBondContact O-N 3.17Å; N134-R137 PolarHBondContact O-N 3.45Å; C135-R137 PolarHBondContact O-N 3.24Å; R137-V140 PolarHBondContact O-N 3.21Å; R137-I141 HydrophobicContact CG-CD1 3.86Å; R137-I141 VanDerWaalsContact O-CG1 3.26Å; R137-I141 WeakPolarHBondContact O-CG1 3.28Å; R137-I141 PolarHBondContact O-N 3.26Å; R137-I141 VanDerWaalsContact O-N 3.11Å
138H87.2Confident89Confident116 Ų11657.1 Ų57.154%0.53731%0.311SS..Hα-helixtrans-61.4-48.8178.9177.758.6000110.8N134 C135 F136 V140 I141 E142N134-H138 WeakPolarHBondContact O-CB 3.32Å; N134-H138 PolarHBondContact O-N 3.25Å; C135-H138 PolarHBondContact O-N 3.09Å; F136-H138 PolarHBondContact O-N 2.72Å; H138-V140 VanDerWaalsContact C-N 3.34Å; H138-V140 PolarHBondContact O-N 2.94Å; H138-I141 PolarHBondContact O-N 3.29Å; H138-I141 VanDerWaalsContact O-N 3.14Å; H138-E142 VanDerWaalsContact CE1-CG 3.44Å; H138-E142 WeakPolarHBondContact CE1-CG 3.25Å; H138-E142 IonicContact CE1-OE1 3.56Å; H138-E142 IonicContact ND1-OE1 2.97Å; H138-E142 WeakPolarHBondContact O-CG 3.44Å; H138-E142 PolarHBondContact O-N 2.83Å
139F83.7Confident88.6Confident53 Ų5360.5 Ų60.523%0.23233%0.329CS..Hα-helixtrans-60.5-42.7-179.8-160.6-70.6000111.7E65 A68 L69 C135 F136 I141 T143E65-F139 HydrophobicContact CB-CD2 4.29Å; E65-F139 HydrophobicContact CB-CE2 4.06Å; E65-F139 HydrophobicContact CB-CZ 4.45Å; E65-F139 HydrophobicContact CG-CD2 3.88Å; E65-F139 HydrophobicContact CG-CE2 3.91Å; A68-F139 HydrophobicContact CB-CB 3.73Å; A68-F139 HydrophobicContact CB-CD1 3.7Å; A68-F139 HydrophobicContact CB-CG 3.93Å; L69-F139 HydrophobicContact CB-CE1 4.23Å; C135-F139 WeakPolarHBondContact O-CB 3.32Å; C135-F139 PolarHBondContact O-N 2.99Å; F136-F139 PolarHBondContact O-N 2.87Å; F139-I141 PolarHBondContact O-N 3.26Å; F139-T143 WeakPolarHBondContact CD1-OG1 3.49Å; F139-T143 WeakPolarHBondContact CE1-OG1 3.12Å; F139-T143 VanDerWaalsContact O-CB 3.28Å; F139-T143 WeakPolarHBondContact O-CB 3.42Å; F139-T143 PolarHBondContact O-N 3.36Å; F139-T143 PolarHBondContact O-OG1 3.3Å
140V88.5Confident87.9Confident0 Ų064.5 Ų64.50%034%0.339CS..Hα-helixtrans-59.6-46.1175.2171.30000111.5A68 T71 A72 I75 W114 F136 R137 H138 T143 V144A68-V140 HydrophobicContact CB-CG2 3.88Å; A68-V140 WeakPolarHBondContact O-CG2 3.38Å; T71-V140 HydrophobicContact CG2-CG2 4.33Å; A72-V140 HydrophobicContact CB-CG1 4.32Å; I75-V140 HydrophobicContact CD1-CG1 3.59Å; I75-V140 HydrophobicContact CG1-CG1 4.37Å; W114-V140 HydrophobicContact CH2-CB 4.2Å; W114-V140 HydrophobicContact CH2-CG1 3.8Å; W114-V140 HydrophobicContact CH2-CG2 4.08Å; W114-V140 HydrophobicContact CZ2-CB 4.17Å; W114-V140 HydrophobicContact CZ2-CG1 4Å; W114-V140 HydrophobicContact CZ2-CG2 4.39Å; W114-V140 HydrophobicContact CZ3-CG1 4.32Å; F136-V140 HydrophobicContact CE1-CG2 4.18Å; F136-V140 HydrophobicContact CE2-CG2 4.2Å; F136-V140 HydrophobicContact CZ-CG2 4.01Å; F136-V140 WeakPolarHBondContact O-CG2 3.27Å; F136-V140 PolarHBondContact O-N 3.39Å; R137-V140 PolarHBondContact O-N 3.21Å; H138-V140 VanDerWaalsContact C-N 3.34Å; H138-V140 PolarHBondContact O-N 2.94Å; V140-T143 PolarHBondContact O-N 3.38Å; V140-V144 WeakPolarHBondContact O-CG2 3.15Å; V140-V144 PolarHBondContact O-N 3.4Å
141I90.2Very high87.2Confident38 Ų3862.9 Ų62.920%0.19532%0.321CS..Hα-helixtrans-61.9-52.2-178.6-71.5169.9000110.8I110 R137 H138 F139 T143 V144 L145I110-I141 HydrophobicContact CD1-CB 4.49Å; I110-I141 HydrophobicContact CD1-CG2 4.21Å; I110-I141 HydrophobicContact CG2-CG1 3.85Å; R137-I141 HydrophobicContact CG-CD1 3.86Å; R137-I141 VanDerWaalsContact O-CG1 3.26Å; R137-I141 WeakPolarHBondContact O-CG1 3.28Å; R137-I141 PolarHBondContact O-N 3.26Å; R137-I141 VanDerWaalsContact O-N 3.11Å; H138-I141 PolarHBondContact O-N 3.29Å; H138-I141 VanDerWaalsContact O-N 3.14Å; F139-I141 PolarHBondContact O-N 3.26Å; I141-T143 VanDerWaalsContact C-N 3.3Å; I141-T143 PolarHBondContact O-N 3.01Å; I141-V144 PolarHBondContact O-N 2.8Å; I141-L145 HydrophobicContact CG2-CD1 3.83Å; I141-L145 HydrophobicContact CG2-CG 4.41Å; I141-L145 WeakPolarHBondContact O-CB 3.33Å; I141-L145 WeakPolarHBondContact O-CG 3.3Å; I141-L145 PolarHBondContact O-N 3.41Å
142E87.2Confident86.7Confident92 Ų9260 Ų6043%0.4330%0.298SS..Hα-helixtrans-62.9-39.4-178.7-63.6-56.3133.500111.4H138 L145 S146H138-E142 VanDerWaalsContact CE1-CG 3.44Å; H138-E142 WeakPolarHBondContact CE1-CG 3.25Å; H138-E142 IonicContact CE1-OE1 3.56Å; H138-E142 IonicContact ND1-OE1 2.97Å; H138-E142 WeakPolarHBondContact O-CG 3.44Å; H138-E142 PolarHBondContact O-N 2.83Å; E142-L145 PolarHBondContact O-N 2.96Å; E142-S146 WeakPolarHBondContact O-CB 3.42Å; E142-S146 PolarHBondContact O-N 3.32Å; E142-S146 PolarHBondContact O-OG 3.48Å
143T86.4Confident86Confident36 Ų3663.6 Ų63.622%0.22131%0.309CS..Hα-helixtrans-62.9-46.3178.5-55.90000111.6L69 A72 F139 V140 I141 S146L69-T143 HydrophobicContact CD1-CG2 4.05Å; A72-T143 HydrophobicContact CB-CG2 3.54Å; F139-T143 WeakPolarHBondContact CD1-OG1 3.49Å; F139-T143 WeakPolarHBondContact CE1-OG1 3.12Å; F139-T143 VanDerWaalsContact O-CB 3.28Å; F139-T143 WeakPolarHBondContact O-CB 3.42Å; F139-T143 PolarHBondContact O-N 3.36Å; F139-T143 PolarHBondContact O-OG1 3.3Å; V140-T143 PolarHBondContact O-N 3.38Å; I141-T143 VanDerWaalsContact C-N 3.3Å; I141-T143 PolarHBondContact O-N 3.01Å; T143-S146 PolarHBondContact O-N 3.32Å
144V89.8Confident85.2Confident1 Ų166 Ų661%0.00632%0.322CS..Hα-helixtrans-71-38.9179176.90000111.6A72 I75 H76 H109 I110 V140 I141 S146 T147A72-V144 HydrophobicContact CB-CG2 3.91Å; I75-V144 HydrophobicContact CD1-CG2 4.27Å; I75-V144 HydrophobicContact CG1-CG2 3.94Å; H76-V144 HydrophobicContact CB-CG1 4.25Å; H76-V144 HydrophobicContact CB-CG2 4.14Å; H109-V144 HydrophobicContact CB-CG1 4.37Å; I110-V144 HydrophobicContact CD1-CB 3.91Å; I110-V144 HydrophobicContact CD1-CG1 3.98Å; I110-V144 HydrophobicContact CG1-CB 3.7Å; I110-V144 HydrophobicContact CG1-CG1 3.58Å; I110-V144 HydrophobicContact CG1-CG2 4.31Å; V140-V144 WeakPolarHBondContact O-CG2 3.15Å; V140-V144 PolarHBondContact O-N 3.4Å; I141-V144 PolarHBondContact O-N 2.8Å; V144-S146 PolarHBondContact O-N 3.16Å; V144-T147 PolarHBondContact O-N 3.33Å; V144-T147 VanDerWaalsContact O-N 3.13Å; V144-T147 PolarHBondContact O-OG1 2.94Å
145L89.4Confident84.5Confident41 Ų4164.6 Ų64.622%0.21531%0.314CS..Hα-helixtrans-62.5-30.4175.1-72.4176000112.4E106 I110 I141 E142 T147 D148E106-L145 HydrophobicContact CB-CD2 4.08Å; I110-L145 HydrophobicContact CD1-CD2 3.95Å; I110-L145 HydrophobicContact CD1-CG 3.76Å; I141-L145 HydrophobicContact CG2-CD1 3.83Å; I141-L145 HydrophobicContact CG2-CG 4.41Å; I141-L145 WeakPolarHBondContact O-CB 3.33Å; I141-L145 WeakPolarHBondContact O-CG 3.3Å; I141-L145 PolarHBondContact O-N 3.41Å; E142-L145 PolarHBondContact O-N 2.96Å; L145-T147 PolarHBondContact O-N 3.19Å; L145-D148 PolarHBondContact O-N 2.79Å
146S87.7Confident84Confident55 Ų5562.5 Ų62.539%0.38530%0.299SS..THydrogen-bonded Turntrans-71.1-8.9178-60.20000113.9E142 T143 V144 D148 L155E142-S146 WeakPolarHBondContact O-CB 3.42Å; E142-S146 PolarHBondContact O-N 3.32Å; E142-S146 PolarHBondContact O-OG 3.48Å; T143-S146 PolarHBondContact O-N 3.32Å; V144-S146 PolarHBondContact O-N 3.16Å; S146-D148 VanDerWaalsContact C-N 3.28Å; S146-L155 WeakPolarHBondContact O-CD1 3.38Å
147T88.3Confident83.5Confident58 Ų5866 Ų6636%0.35632%0.316SS..THydrogen-bonded Turntrans-82.3-5.6173.869.30000113H76 V144 L145 L149H76-T147 HydrophobicContact CB-CG2 4.43Å; V144-T147 PolarHBondContact O-N 3.33Å; V144-T147 VanDerWaalsContact O-N 3.13Å; V144-T147 PolarHBondContact O-OG1 2.94Å; L145-T147 PolarHBondContact O-N 3.19Å; T147-L149 PolarHBondContact O-N 3.31Å; T147-L149 VanDerWaalsContact O-N 3.09Å
148D87.8Confident82.6Confident10 Ų1063.4 Ų63.45%0.05332%0.315CS..  trans-68.3106.3171.9-174.4-7.3000109.7S103 E106 L145 S146 K150 Y151S103-D148 WeakPolarHBondContact CA-OD2 3.37Å; S103-D148 VanDerWaalsContact CB-OD2 3.32Å; S103-D148 WeakPolarHBondContact CB-OD2 3.23Å; S103-D148 PolarHBondContact OG-OD2 2.89Å; E106-D148 HydrophobicContact CG-CB 3.86Å; L145-D148 PolarHBondContact O-N 2.79Å; S146-D148 VanDerWaalsContact C-N 3.28Å; D148-K150 PolarHBondContact O-N 3.02Å; D148-K150 WeakPolarHBondContact OD1-CB 3.47Å; D148-K150 PolarHBondContact OD1-N 2.99Å; D148-Y151 HydrophobicContact CB-CD2 4.04Å; D148-Y151 HydrophobicContact CB-CE2 4.4Å; D148-Y151 PolarHBondContact O-N 3.09Å; D148-Y151 WeakPolarHBondContact OD2-CE2 3.21Å
149L81.3Confident82.1Confident109 Ų10961 Ų6157%0.57130%0.303SS*.G310 helixtrans-57-17.5-179-67.2176.6000113.4T147 Y151 H152 F215 V219T147-L149 PolarHBondContact O-N 3.31Å; T147-L149 VanDerWaalsContact O-N 3.09Å; L149-Y151 PolarHBondContact O-N 3.25Å; L149-H152 WeakPolarHBondContact O-CB 3.29Å; L149-H152 PolarHBondContact O-N 2.95Å; L149-F215 HydrophobicContact CD1-CE2 4.43Å; L149-V219 HydrophobicContact CD2-CG1 4.19Å
150K80.3Confident81.6Confident141 Ų14159.5 Ų59.561%0.61330%0.298SS*.G310 helixtrans-57.5-32.5172.6-174.2-177.5175.9-171.10112.8D148D148-K150 PolarHBondContact O-N 3.02Å; D148-K150 WeakPolarHBondContact OD1-CB 3.47Å; D148-K150 PolarHBondContact OD1-N 2.99Å
151Y78.7Confident81Confident78 Ų7866.1 Ų66.131%0.30633%0.334SS..G310 helixtrans-104.25.9-178.6-53.7-72.7000113.4S103 D148 L149 Y153 D154 L155S103-Y151 WeakPolarHBondContact OG-CE2 3.5Å; D148-Y151 HydrophobicContact CB-CD2 4.04Å; D148-Y151 HydrophobicContact CB-CE2 4.4Å; D148-Y151 PolarHBondContact O-N 3.09Å; D148-Y151 WeakPolarHBondContact OD2-CE2 3.21Å; L149-Y151 PolarHBondContact O-N 3.25Å; Y151-Y153 VanDerWaalsContact C-N 3.27Å; Y151-Y153 PolarHBondContact O-N 3.44Å; Y151-D154 PolarHBondContact O-N 2.9Å; Y151-D154 VanDerWaalsContact O-N 3.1Å; Y151-L155 PolarHBondContact O-N 3.06Å
152H78.3Confident80.2Confident32 Ų3272.3 Ų72.315%0.14836%0.359CS..Hα-helixtrans-52.7-44.6-176.6-177.273.4000112.7L149 L155 L156 V219L149-H152 WeakPolarHBondContact O-CB 3.29Å; L149-H152 PolarHBondContact O-N 2.95Å; H152-L155 PolarHBondContact O-N 3.2Å; H152-L156 VanDerWaalsContact O-CB 3.29Å; H152-L156 WeakPolarHBondContact O-CB 3.33Å; H152-L156 PolarHBondContact O-N 2.96Å; H152-V219 WeakPolarHBondContact NE2-CG1 3.37Å; H152-V219 PolarHBondContact NE2-O 2.95Å
153Y74.4Confident79.2Confident155 Ų15569.6 Ų69.661%0.60835%0.352SS*.Hα-helixtrans-64.8-41.7-179.6-170.9-96.2000112.5Y151 L156 M157Y151-Y153 VanDerWaalsContact C-N 3.27Å; Y151-Y153 PolarHBondContact O-N 3.44Å; Y153-L156 PolarHBondContact O-N 3.17Å; Y153-M157 HydrophobicContact CD1-CG 4Å; Y153-M157 HydrophobicContact CE1-CG 3.62Å; Y153-M157 HydrophobicContact CE1-SD 4.36Å; Y153-M157 HydrophobicContact CE2-CG 4.48Å; Y153-M157 WeakPolarHBondContact O-CB 3.41Å; Y153-M157 VanDerWaalsContact O-CG 3.31Å; Y153-M157 WeakPolarHBondContact O-CG 3.48Å; Y153-M157 PolarHBondContact O-N 3.1Å
154D76Confident78Confident102 Ų10269.5 Ų69.555%0.54535%0.354SS..Hα-helixtrans-66.6-42179.2-65.9-28.2000111.2Y151 M157 S158Y151-D154 PolarHBondContact O-N 2.9Å; Y151-D154 VanDerWaalsContact O-N 3.1Å; D154-M157 PolarHBondContact O-N 2.84Å; D154-S158 WeakPolarHBondContact O-CB 3.39Å; D154-S158 PolarHBondContact O-N 3.26Å
155L73.9Confident75.9Confident72 Ų7281.3 Ų81.338%0.37740%0.398SS..Hα-helixtrans-61.7-47.9175-75.3168.9000111.3S146 Y151 H152 S158 F159S146-L155 WeakPolarHBondContact O-CD1 3.38Å; Y151-L155 PolarHBondContact O-N 3.06Å; H152-L155 PolarHBondContact O-N 3.2Å; L155-S158 PolarHBondContact O-N 3.18Å; L155-F159 WeakPolarHBondContact O-CB 3.14Å; L155-F159 PolarHBondContact O-N 3.38Å
156L74.3Confident73.5Confident11 Ų1189.3 Ų89.36%0.05843%0.425CS..Hα-helixtrans-59.1-49177.3-178.977.7000111.2H152 Y153 S158 F159 T160 P222 A226H152-L156 VanDerWaalsContact O-CB 3.29Å; H152-L156 WeakPolarHBondContact O-CB 3.33Å; H152-L156 PolarHBondContact O-N 2.96Å; Y153-L156 PolarHBondContact O-N 3.17Å; L156-S158 PolarHBondContact O-N 3.43Å; L156-F159 PolarHBondContact O-N 2.84Å; L156-T160 HydrophobicContact CD1-CG2 4.36Å; L156-T160 HydrophobicContact CG-CG2 4.33Å; L156-T160 VanDerWaalsContact O-CG2 3.23Å; L156-T160 WeakPolarHBondContact O-CG2 3.34Å; L156-T160 PolarHBondContact O-N 3.48Å; L156-T160 PolarHBondContact O-OG1 3.43Å; L156-T160 VanDerWaalsContact O-OG1 3.1Å; L156-P222 HydrophobicContact CD1-CB 4.03Å; L156-P222 HydrophobicContact CD2-CB 3.3Å; L156-P222 HydrophobicContact CD2-CG 4.26Å; L156-P222 HydrophobicContact CG-CB 4.28Å; L156-A226 HydrophobicContact CD1-CB 3.92Å
157M76.2Confident71.1Confident75 Ų7592.2 Ų92.237%0.36944%0.443SS..Hα-helixtrans-60.8-45.2178.8-71.5-62.696.100111.7Y153 D154 F159 T160 D161Y153-M157 HydrophobicContact CD1-CG 4Å; Y153-M157 HydrophobicContact CE1-CG 3.62Å; Y153-M157 HydrophobicContact CE1-SD 4.36Å; Y153-M157 HydrophobicContact CE2-CG 4.48Å; Y153-M157 WeakPolarHBondContact O-CB 3.41Å; Y153-M157 VanDerWaalsContact O-CG 3.31Å; Y153-M157 WeakPolarHBondContact O-CG 3.48Å; Y153-M157 PolarHBondContact O-N 3.1Å; D154-M157 PolarHBondContact O-N 2.84Å; M157-F159 VanDerWaalsContact C-N 3.32Å; M157-F159 PolarHBondContact O-N 3.04Å; M157-T160 WeakPolarHBondContact CA-OG1 3.45Å; M157-T160 PolarHBondContact O-N 2.89Å; M157-T160 PolarHBondContact O-OG1 2.91Å; M157-D161 WeakPolarHBondContact O-CB 3.38Å; M157-D161 PolarHBondContact O-N 3.07Å
158S75.7Confident68.8Low56 Ų5691.4 Ų91.439%0.39244%0.436SS..Hα-helixtrans-62.5-39.2176-176.40000112.7D154 L155 L156 K162D154-S158 WeakPolarHBondContact O-CB 3.39Å; D154-S158 PolarHBondContact O-N 3.26Å; L155-S158 PolarHBondContact O-N 3.18Å; L156-S158 PolarHBondContact O-N 3.43Å; S158-K162 WeakPolarHBondContact O-CG 3.4Å; S158-K162 PolarHBondContact O-N 2.77Å
159F75.3Confident66.3Low66 Ų6697.6 Ų97.629%0.28947%0.469SS..Hα-helixtrans-66.2-48.5177.5176.9-95.2000111L155 L156 M157 D161 K162 A163 A226 L227 A230 L232L155-F159 WeakPolarHBondContact O-CB 3.14Å; L155-F159 PolarHBondContact O-N 3.38Å; L156-F159 PolarHBondContact O-N 2.84Å; M157-F159 VanDerWaalsContact C-N 3.32Å; M157-F159 PolarHBondContact O-N 3.04Å; F159-D161 PolarHBondContact O-N 2.92Å; F159-K162 CarbonylContact O-C 3.59Å; F159-K162 PolarHBondContact O-N 2.82Å; F159-K162 VanDerWaalsContact O-N 3.16Å; F159-A163 HydrophobicContact CD1-CB 4.25Å; F159-A163 HydrophobicContact CE1-CB 3.86Å; F159-A163 HydrophobicContact CZ-CB 3.99Å; F159-A163 WeakPolarHBondContact O-CB 3.29Å; F159-A163 PolarHBondContact O-N 3.12Å; F159-A226 HydrophobicContact CD1-CB 3.66Å; F159-A226 HydrophobicContact CE1-CB 3.65Å; F159-L227 HydrophobicContact CZ-CD2 4.21Å; F159-A230 HydrophobicContact CE1-CB 4.08Å; F159-A230 HydrophobicContact CZ-CB 3.69Å; F159-L232 HydrophobicContact CE2-CD1 4.11Å; F159-L232 HydrophobicContact CZ-CD1 3.74Å
160T74.1Confident64.2Low21 Ų2195.7 Ų95.713%0.12946%0.458CS..Hα-helixtrans-62.7-40.5-179.356.40000113.1L156 M157 K162 A163 S164 L168 A226L156-T160 HydrophobicContact CD1-CG2 4.36Å; L156-T160 HydrophobicContact CG-CG2 4.33Å; L156-T160 VanDerWaalsContact O-CG2 3.23Å; L156-T160 WeakPolarHBondContact O-CG2 3.34Å; L156-T160 PolarHBondContact O-N 3.48Å; L156-T160 PolarHBondContact O-OG1 3.43Å; L156-T160 VanDerWaalsContact O-OG1 3.1Å; M157-T160 WeakPolarHBondContact CA-OG1 3.45Å; M157-T160 PolarHBondContact O-N 2.89Å; M157-T160 PolarHBondContact O-OG1 2.91Å; T160-K162 VanDerWaalsContact C-N 3.27Å; T160-K162 PolarHBondContact O-N 3.38Å; T160-A163 PolarHBondContact O-N 3.07Å; T160-S164 PolarHBondContact O-N 2.86Å; T160-L168 HydrophobicContact CG2-CD1 3.34Å; T160-L168 HydrophobicContact CG2-CG 4.45Å; T160-A226 HydrophobicContact CG2-CB 3.72Å
161D75.8Confident61.7Low140 Ų14092.6 Ų92.675%0.74945%0.454SS*.Hα-helixtrans-61.1-37.5175.8-171.452.1000111.8M157 F159M157-D161 WeakPolarHBondContact O-CB 3.38Å; M157-D161 PolarHBondContact O-N 3.07Å; F159-D161 PolarHBondContact O-N 2.92Å
162K72.4Confident59.7Low168 Ų16894.8 Ų94.873%0.7347%0.471SS*.Hα-helixtrans-76.1-38.1174.7-70.7172.4-178.2168.50112.9S158 F159 T160S158-K162 WeakPolarHBondContact O-CG 3.4Å; S158-K162 PolarHBondContact O-N 2.77Å; F159-K162 CarbonylContact O-C 3.59Å; F159-K162 PolarHBondContact O-N 2.82Å; F159-K162 VanDerWaalsContact O-N 3.16Å; T160-K162 VanDerWaalsContact C-N 3.27Å; T160-K162 PolarHBondContact O-N 3.38Å
163A67.6Low57.8Low34 Ų3497.3 Ų97.328%0.28148%0.483SS..Hα-helixtrans-83.4-31.4-170.500000113.6F159 T160 A230F159-A163 HydrophobicContact CD1-CB 4.25Å; F159-A163 HydrophobicContact CE1-CB 3.86Å; F159-A163 HydrophobicContact CZ-CB 3.99Å; F159-A163 WeakPolarHBondContact O-CB 3.29Å; F159-A163 PolarHBondContact O-N 3.12Å; T160-A163 PolarHBondContact O-N 3.07Å; A163-A230 HydrophobicContact CB-CB 3.8Å
164S60.7Low55.8Low35 Ų3596.1 Ų96.125%0.24549%0.487CS..  trans-152.1126.4-166.7-71.90000116.1T160 R166 Q229T160-S164 PolarHBondContact O-N 2.86Å; S164-R166 PolarHBondContact O-N 3.16Å; S164-R166 VanDerWaalsContact O-N 3.12Å; S164-Q229 WeakPolarHBondContact OG-CB 3.06Å; S164-Q229 PolarHBondContact OG-O 2.89Å
165R45.9Very low54.3Low248 Ų24897.6 Ų97.694%0.93650%0.495SS*.SBendtrans-72.264.3151.2-65.4176.7173.5177-1110.9
166R38.2Very low53Low210 Ų21095.2 Ų95.279%0.79248%0.484SS*.SBendtrans172.9157.3155.8-100163-166.4-150.15.4112.1S164 Q229S164-R166 PolarHBondContact O-N 3.16Å; S164-R166 VanDerWaalsContact O-N 3.12Å; R166-Q229 PolarHBondContact O-OE1 2.88Å; R166-Q229 VanDerWaalsContact O-OE1 3.04Å
167P37.4Very low51.7Low116 Ų116100 Ų10075%0.75351%0.51SS*.  trans-87155-171.130.1-23.9000113.8Q229P167-Q229 VanDerWaalsContact C-NE2 3.31Å; P167-Q229 PolarHBondContact O-NE2 3Å
168L41Very low50.4Low40 Ų4098.9 Ų98.921%0.20951%0.512CS..  trans-89.3148.6-173.8-64.9163.9000113.6T160 N225 A226 Q229T160-L168 HydrophobicContact CG2-CD1 3.34Å; T160-L168 HydrophobicContact CG2-CG 4.45Å; L168-N225 HydrophobicContact CB-CB 4.2Å; L168-N225 HydrophobicContact CD2-CB 3.33Å; L168-N225 WeakPolarHBondContact CD2-O 3.41Å; L168-N225 HydrophobicContact CG-CB 4.3Å; L168-A226 HydrophobicContact CD1-CB 3.97Å; L168-A226 HydrophobicContact CD2-CB 4.32Å; L168-A226 VanDerWaalsContact CD2-N 3.27Å; L168-Q229 HydrophobicContact CD2-CB 4.17Å; L168-Q229 HydrophobicContact CD2-CG 3.56Å; L168-Q229 VanDerWaalsContact CG-OE1 3.31Å
169D34.5Very low49.4Very low141 Ų14199.5 Ų99.575%0.75451%0.51SS*.  trans-124.8133173.9-175.921.5000111.8N225D169-N225 PolarHBondContact O-ND2 3.41Å; D169-N225 PolarHBondContact O-OD1 3.13Å
170M36.6Very low48.6Very low68 Ų6896.6 Ų96.634%0.33550%0.498SS..  trans-126.894-142.1-53.4-108.3-64.500113.3N217 P222 N225M170-N217 WeakPolarHBondContact CE-O 3.26Å; M170-P222 HydrophobicContact CE-CB 3.4Å; M170-P222 VanDerWaalsContact CE-CB 3.4Å; M170-P222 VanDerWaalsContact CE-CD 3.45Å; M170-P222 HydrophobicContact CE-CG 3.21Å; M170-P222 WeakPolarHBondContact SD-CA 3.36Å; M170-P222 HydrophobicContact SD-CB 3.29Å; M170-P222 WeakPolarHBondContact SD-CB 3.31Å; M170-P222 HydrophobicContact SD-CG 3.74Å; M170-N225 WeakPolarHBondContact CA-ND2 3.42Å
171S29.3Very low47.9Very low76 Ų76102.1 Ų102.153%0.53152%0.517SS..  trans-164.9127163.160.50000113S221S171-S221 VanDerWaalsContact C-OG 3.25Å; S171-S221 WeakPolarHBondContact CA-OG 3.19Å
172N36.8Very low47.3Very low125 Ų12596.8 Ų96.867%0.66849%0.487SS*.  trans177.6155.7139.3-93.1-21.2000110.9M216 S221N172-M216 VanDerWaalsContact C-CE 3.5Å; N172-M216 VanDerWaalsContact O-CB 3.32Å; N172-M216 WeakPolarHBondContact O-CB 3.48Å; N172-M216 WeakPolarHBondContact O-CE 3.42Å; N172-S221 PolarHBondContact N-OG 3.44Å; N172-S221 PolarHBondContact O-OG 2.89Å
173E36.6Very low47Very low84 Ų8489 Ų8939%0.39346%0.455SS..  trans-118.4136-167.5-81.2168.6-142.900115.1S213 M216E173-S213 VanDerWaalsContact CD-CA 3.47Å; E173-S213 WeakPolarHBondContact OE1-CA 3.37Å; E173-S213 WeakPolarHBondContact OE1-CB 2.92Å; E173-S213 PolarHBondContact OE1-OG 2.84Å; E173-M216 VanDerWaalsContact C-CE 3.45Å; E173-M216 HydrophobicContact CB-CB 3.99Å; E173-M216 HydrophobicContact CB-CG 3.82Å; E173-M216 HydrophobicContact CG-CB 3.27Å; E173-M216 HydrophobicContact CG-CG 3.54Å
174D34.3Very low47.4Very low130 Ų13089.6 Ų89.670%0.69545%0.451SS*.  trans160.5107.6137.5-88-32.9000113.7M216D174-M216 PolarHBondContact N-SD 3.21Å
175D42.7Very low48.3Very low134 Ų13493.5 Ų93.572%0.71746%0.464SS*.  trans-166.2102.3132.3-138.5-6.4000111.4
176S48.5Very low49.9Very low21 Ų2181.8 Ų81.815%0.14742%0.42CS..  trans-129.8-44.2-136.7-64.20000117.5A178 V180 Q212S176-A178 PolarHBondContact O-N 3.43Å; S176-V180 WeakPolarHBondContact O-CG2 3.47Å; S176-Q212 VanDerWaalsContact CA-OE1 3.28Å; S176-Q212 VanDerWaalsContact CB-OE1 3.31Å; S176-Q212 PolarHBondContact O-NE2 2.96Å; S176-Q212 WeakPolarHBondContact OG-CG 3.35Å; S176-Q212 PolarHBondContact OG-OE1 3.47Å
177L46.3Very low52Low113 Ų11371.8 Ų71.859%0.59238%0.383SS*.Hα-helixtrans-81.1-23.7-160.6-167.863.2000113.4
178A49.4Very low54.4Low50 Ų5069.1 Ų69.141%0.41336%0.362SS..Hα-helixtrans-73.3-55.1-175.700000109.8D26 S176 V180 R181 K182D26-A178 HydrophobicContact CB-CB 4.34Å; D26-A178 VanDerWaalsContact CG-CB 3.44Å; D26-A178 WeakPolarHBondContact OD1-CA 3.34Å; D26-A178 WeakPolarHBondContact OD1-CB 3.31Å; S176-A178 PolarHBondContact O-N 3.43Å; A178-V180 PolarHBondContact O-N 2.74Å; A178-V180 VanDerWaalsContact O-N 3.15Å; A178-R181 PolarHBondContact O-N 2.97Å; A178-K182 PolarHBondContact O-N 3.26Å
179L54.4Low56.5Low69 Ų6967.9 Ų67.936%0.36136%0.355SS..Hα-helixtrans-53.5-39.4-180-171.665.6000113D26 K182 G183 L211D26-L179 WeakPolarHBondContact OD2-CA 3.35Å; D26-L179 PolarHBondContact OD2-N 3.31Å; L179-K182 PolarHBondContact O-N 3.33Å; L179-G183 PolarHBondContact O-N 3.12Å; L179-L211 HydrophobicContact CD2-CD2 4.49Å
180V57.1Low59Low6 Ų661.4 Ų61.44%0.03632%0.32CS..Hα-helixtrans-57.4-52.1176.7169.30000111.2S176 A178 K182 G183 E184 V208 L211S176-V180 WeakPolarHBondContact O-CG2 3.47Å; A178-V180 PolarHBondContact O-N 2.74Å; A178-V180 VanDerWaalsContact O-N 3.15Å; V180-K182 VanDerWaalsContact C-N 3.28Å; V180-K182 PolarHBondContact O-N 3.1Å; V180-G183 WeakPolarHBondContact O-CA 3.44Å; V180-G183 PolarHBondContact O-N 3.08Å; V180-E184 WeakPolarHBondContact O-CG 3.27Å; V180-E184 PolarHBondContact O-N 2.9Å; V180-V208 HydrophobicContact CB-CG2 4.36Å; V180-V208 HydrophobicContact CG1-CG1 4.49Å; V180-V208 HydrophobicContact CG1-CG2 3.47Å; V180-V208 VanDerWaalsContact CG1-CG2 3.47Å; V180-V208 HydrophobicContact CG2-CB 4.2Å; V180-V208 HydrophobicContact CG2-CG1 3.56Å; V180-V208 HydrophobicContact CG2-CG2 4.02Å; V180-L211 HydrophobicContact CG2-CD2 4.1Å
181R60.3Low61.5Low137 Ų13761.5 Ų61.552%0.51732%0.321SS..Hα-helixtrans-65.2-32.8-176.8-70.9-174-172.4-124.27.5112.1A178 G183 E184 F185A178-R181 PolarHBondContact O-N 2.97Å; R181-G183 VanDerWaalsContact C-N 3.34Å; R181-E184 PolarHBondContact O-N 2.93Å; R181-F185 PolarHBondContact O-N 3.42Å
182K62.9Low64.4Low28 Ų2866.2 Ų66.212%0.12233%0.327CS..Hα-helixtrans-63.3-44.4172.2179.9-171.9173.6-162.10110.3D26 H27 H80 G82 A178 L179 V180 E184 F185 Q186D26-K182 WeakPolarHBondContact OD2-CB 3.4Å; H27-K182 PolarHBondContact CD2-NZ 2.76Å; H27-K182 PolarHBondContact NE2-NZ 3.05Å; H80-K182 PolarHBondContact CE1-NZ 2.97Å; H80-K182 PolarHBondContact NE2-NZ 2.92Å; G82-K182 VanDerWaalsContact C-CE 3.41Å; G82-K182 WeakPolarHBondContact O-CE 3.41Å; A178-K182 PolarHBondContact O-N 3.26Å; L179-K182 PolarHBondContact O-N 3.33Å; V180-K182 VanDerWaalsContact C-N 3.28Å; V180-K182 PolarHBondContact O-N 3.1Å; K182-E184 PolarHBondContact O-N 3.48Å; K182-F185 PolarHBondContact O-N 3.17Å; K182-Q186 PolarHBondContact O-N 3.46Å
183G66.2Low66.8Low5 Ų566.2 Ų66.25%0.05232%0.318CS..Hα-helixtrans-57.4-47175.500000112.9L179 V180 R181 F185 Q186 G187 M201L179-G183 PolarHBondContact O-N 3.12Å; V180-G183 WeakPolarHBondContact O-CA 3.44Å; V180-G183 PolarHBondContact O-N 3.08Å; R181-G183 VanDerWaalsContact C-N 3.34Å; G183-F185 VanDerWaalsContact C-N 3.28Å; G183-F185 PolarHBondContact O-N 3.26Å; G183-Q186 WeakPolarHBondContact O-CA 3.41Å; G183-Q186 WeakPolarHBondContact O-CB 3.44Å; G183-Q186 PolarHBondContact O-N 3.41Å; G183-G187 PolarHBondContact O-N 2.84Å; G183-M201 CarbonylContact C-O 3.59Å; G183-M201 WeakPolarHBondContact CA-SD 3.34Å; G183-M201 WeakPolarHBondContact O-CB 3.47Å; G183-M201 VanDerWaalsContact O-O 3.12Å
184E76.5Confident69.3Low45 Ų4565.5 Ų65.521%0.2133%0.333CS..Hα-helixtrans-58.3-36.9176-65.1-175.4149.500113.6V180 R181 K182 Q186 D188 M201 R203V180-E184 WeakPolarHBondContact O-CG 3.27Å; V180-E184 PolarHBondContact O-N 2.9Å; R181-E184 PolarHBondContact O-N 2.93Å; K182-E184 PolarHBondContact O-N 3.48Å; E184-Q186 VanDerWaalsContact C-N 3.35Å; E184-D188 PolarHBondContact O-N 2.87Å; E184-D188 VanDerWaalsContact O-N 3.17Å; E184-M201 WeakPolarHBondContact CA-O 3.05Å; E184-R203 HydrophobicContact CB-CB 3.84Å; E184-R203 HydrophobicContact CG-CB 3.51Å; E184-R203 PolarHBondContact O-NH2 3.02Å; E184-R203 WeakPolarHBondContact OE1-CB 3.49Å
185F79Confident71.6Confident117 Ų11762.5 Ų62.551%0.51332%0.315SS..Hα-helixtrans-75.7-28179-140.6-91.9000112R83 R181 K182 G183R83-F185 PolarHBondContact NH2-O 3.14Å; R181-F185 PolarHBondContact O-N 3.42Å; K182-F185 PolarHBondContact O-N 3.17Å; G183-F185 VanDerWaalsContact C-N 3.28Å; G183-F185 PolarHBondContact O-N 3.26Å
186Q80.3Confident73.7Confident3 Ų361.7 Ų61.71%0.01432%0.317CS..Hα-helixtrans-69.6-48.5170.8176.1171.4-4500110.4N84 F87 K182 G183 E184 D188 E189 E190N84-Q186 PolarHBondContact ND2-NE2 2.86Å; N84-Q186 PolarHBondContact OD1-NE2 2.93Å; N84-Q186 PolarHBondContact OD1-OE1 3.13Å; F87-Q186 HydrophobicContact CB-CG 4.25Å; F87-Q186 HydrophobicContact CD2-CG 3.72Å; F87-Q186 HydrophobicContact CE2-CG 4.44Å; F87-Q186 HydrophobicContact CG-CG 4.17Å; K182-Q186 PolarHBondContact O-N 3.46Å; G183-Q186 WeakPolarHBondContact O-CA 3.41Å; G183-Q186 WeakPolarHBondContact O-CB 3.44Å; G183-Q186 PolarHBondContact O-N 3.41Å; E184-Q186 VanDerWaalsContact C-N 3.35Å; Q186-D188 VanDerWaalsContact C-N 3.34Å; Q186-D188 PolarHBondContact O-N 3.3Å; Q186-E189 WeakPolarHBondContact O-CB 3.29Å; Q186-E189 PolarHBondContact O-N 3.3Å; Q186-E190 HydrophobicContact CG-CG 4.39Å; Q186-E190 PolarHBondContact NE2-OE1 3.02Å; Q186-E190 VanDerWaalsContact NE2-OE1 3.1Å; Q186-E190 WeakPolarHBondContact O-CG 3.43Å; Q186-E190 PolarHBondContact O-N 3.34Å
187G82.7Confident75.4Confident0 Ų062.6 Ų62.60%032%0.321CS..Hα-helixtrans-59.6-41.5179.600000113.2G183 E189 E190 I191 M201G183-G187 PolarHBondContact O-N 2.84Å; G187-E189 PolarHBondContact O-N 2.85Å; G187-E190 PolarHBondContact O-N 2.8Å; G187-I191 VanDerWaalsContact O-CG1 3.31Å; G187-I191 WeakPolarHBondContact O-CG1 3.43Å; G187-I191 PolarHBondContact O-N 2.75Å; G187-M201 WeakPolarHBondContact CA-O 3.45Å
188D87.6Confident76.9Confident60 Ų6058.8 Ų58.832%0.32130%0.304SS..Hα-helixtrans-58.8-36.3174.4-75.37.4000112.9E184 Q186 R192 R203E184-D188 PolarHBondContact O-N 2.87Å; E184-D188 VanDerWaalsContact O-N 3.17Å; Q186-D188 VanDerWaalsContact C-N 3.34Å; Q186-D188 PolarHBondContact O-N 3.3Å; D188-R192 WeakPolarHBondContact O-CB 3.36Å; D188-R192 PolarHBondContact O-N 2.97Å; D188-R203 IonicContact OD1-CZ 3.67Å; D188-R203 IonicContact OD1-NE 2.89Å; D188-R203 PolarHBondContact OD1-NE 3.35Å; D188-R203 IonicContact OD1-NH2 3.19Å; D188-R203 PolarHBondContact OD1-NH2 3.3Å; D188-R203 IonicContact OD2-CZ 2.85Å; D188-R203 IonicContact OD2-NE 2.71Å; D188-R203 PolarHBondContact OD2-NE 2.88Å; D188-R203 IonicContact OD2-NH1 3.72Å; D188-R203 IonicContact OD2-NH2 3.34Å; D188-R203 PolarHBondContact OD2-NH2 2.81Å
189E84.8Confident78Confident14 Ų1462.9 Ų62.97%0.06532%0.319CS..Hα-helixtrans-76.5-36.4178175.561.6136.300112F87 Q186 G187 I191 R192 R193F87-E189 HydrophobicContact CE2-CB 4.33Å; F87-E189 HydrophobicContact CE2-CG 3.82Å; F87-E189 HydrophobicContact CZ-CB 4.44Å; F87-E189 HydrophobicContact CZ-CG 3.53Å; Q186-E189 WeakPolarHBondContact O-CB 3.29Å; Q186-E189 PolarHBondContact O-N 3.3Å; G187-E189 PolarHBondContact O-N 2.85Å; E189-I191 VanDerWaalsContact C-N 3.35Å; E189-R192 VanDerWaalsContact CD-NH1 3.26Å; E189-R192 PolarHBondContact O-N 3.35Å; E189-R192 IonicContact OE1-CZ 3.29Å; E189-R192 IonicContact OE1-NH1 2.72Å; E189-R192 PolarHBondContact OE1-NH1 3.26Å; E189-R192 IonicContact OE1-NH2 3.66Å; E189-R192 PolarHBondContact OE1-NH2 3.15Å; E189-R192 IonicContact OE2-CZ 3.29Å; E189-R192 IonicContact OE2-NE 3.49Å; E189-R192 PolarHBondContact OE2-NE 3.17Å; E189-R192 VanDerWaalsContact OE2-NE 3.15Å; E189-R192 IonicContact OE2-NH1 3.09Å; E189-R192 PolarHBondContact OE2-NH1 3.22Å; E189-R192 IonicContact OE2-NH2 3.48Å; E189-R192 PolarHBondContact OE2-NH2 2.6Å; E189-R193 WeakPolarHBondContact O-CB 3.31Å; E189-R193 WeakPolarHBondContact O-CG 3.28Å; E189-R193 PolarHBondContact O-N 2.81Å; E189-R193 IonicContact OE1-CZ 3.67Å; E189-R193 VanDerWaalsContact OE1-CZ 3.31Å; E189-R193 IonicContact OE1-NE 3.68Å; E189-R193 PolarHBondContact OE1-NE 2.83Å; E189-R193 IonicContact OE1-NH2 3.26Å; E189-R193 PolarHBondContact OE1-NH2 2.95Å; E189-R193 IonicContact OE2-NE 2.94Å
190E87.7Confident78.8Confident4 Ų464.2 Ų64.22%0.01932%0.322CS..Hα-helixtrans-59.5-46.5172-69.4168.7162.200110.7F87 Q186 G187 R192 R193 G194 H195 V197 S198F87-E190 HydrophobicContact CD2-CG 3.63Å; F87-E190 HydrophobicContact CE2-CG 3.75Å; Q186-E190 HydrophobicContact CG-CG 4.39Å; Q186-E190 PolarHBondContact NE2-OE1 3.02Å; Q186-E190 VanDerWaalsContact NE2-OE1 3.1Å; Q186-E190 WeakPolarHBondContact O-CG 3.43Å; Q186-E190 PolarHBondContact O-N 3.34Å; G187-E190 PolarHBondContact O-N 2.8Å; E190-R192 PolarHBondContact O-N 3.04Å; E190-R193 PolarHBondContact O-N 3.34Å; E190-G194 PolarHBondContact O-N 2.9Å; E190-G194 VanDerWaalsContact O-N 3.13Å; E190-H195 HydrophobicContact CB-CB 4.33Å; E190-H195 PolarHBondContact O-N 3.43Å; E190-V197 WeakPolarHBondContact OE2-CA 3.2Å; E190-S198 WeakPolarHBondContact OE1-CB 3.29Å; E190-S198 PolarHBondContact OE1-OG 3.37Å; E190-S198 PolarHBondContact OE2-N 2.99Å
191I88.5Confident79.7Confident71 Ų7165.8 Ų65.836%0.36433%0.33SS..Hα-helixtrans-59-49.7175-65166.4000110.9G187 E189 R193 G194 V197 R204G187-I191 VanDerWaalsContact O-CG1 3.31Å; G187-I191 WeakPolarHBondContact O-CG1 3.43Å; G187-I191 PolarHBondContact O-N 2.75Å; E189-I191 VanDerWaalsContact C-N 3.35Å; I191-R193 PolarHBondContact O-N 3.26Å; I191-G194 PolarHBondContact O-N 3.18Å; I191-V197 HydrophobicContact CD1-CG2 3.88Å; I191-V197 HydrophobicContact CG1-CG2 3.33Å; I191-R204 VanDerWaalsContact CD1-NH2 3.32Å
192R90.8Very high80.7Confident174 Ų17460.2 Ų60.266%0.65731%0.31SS*.Hα-helixtrans-60.3-30.6-178.1172163.143.397.8-4.6112.4D188 E189 E190D188-R192 WeakPolarHBondContact O-CB 3.36Å; D188-R192 PolarHBondContact O-N 2.97Å; E189-R192 VanDerWaalsContact CD-NH1 3.26Å; E189-R192 PolarHBondContact O-N 3.35Å; E189-R192 IonicContact OE1-CZ 3.29Å; E189-R192 IonicContact OE1-NH1 2.72Å; E189-R192 PolarHBondContact OE1-NH1 3.26Å; E189-R192 IonicContact OE1-NH2 3.66Å; E189-R192 PolarHBondContact OE1-NH2 3.15Å; E189-R192 IonicContact OE2-CZ 3.29Å; E189-R192 IonicContact OE2-NE 3.49Å; E189-R192 PolarHBondContact OE2-NE 3.17Å; E189-R192 VanDerWaalsContact OE2-NE 3.15Å; E189-R192 IonicContact OE2-NH1 3.09Å; E189-R192 PolarHBondContact OE2-NH1 3.22Å; E189-R192 IonicContact OE2-NH2 3.48Å; E189-R192 PolarHBondContact OE2-NH2 2.6Å; E190-R192 PolarHBondContact O-N 3.04Å
193R86.9Confident81.4Confident126 Ų12663.9 Ų63.948%0.47532%0.323SS..THydrogen-bonded Turntrans-90.6-1.2177.2-67-176.1-174.3-160.55.4114E189 E190 I191 H195E189-R193 WeakPolarHBondContact O-CB 3.31Å; E189-R193 WeakPolarHBondContact O-CG 3.28Å; E189-R193 PolarHBondContact O-N 2.81Å; E189-R193 IonicContact OE1-CZ 3.67Å; E189-R193 VanDerWaalsContact OE1-CZ 3.31Å; E189-R193 IonicContact OE1-NE 3.68Å; E189-R193 PolarHBondContact OE1-NE 2.83Å; E189-R193 IonicContact OE1-NH2 3.26Å; E189-R193 PolarHBondContact OE1-NH2 2.95Å; E189-R193 IonicContact OE2-NE 2.94Å; E190-R193 PolarHBondContact O-N 3.34Å; I191-R193 PolarHBondContact O-N 3.26Å; R193-H195 VanDerWaalsContact C-N 3.33Å
194G87.6Confident82Confident68 Ų6872 Ų7270%0.70135%0.352SS*.THydrogen-bonded Turntrans73.822.3-17900000114E190 I191E190-G194 PolarHBondContact O-N 2.9Å; E190-G194 VanDerWaalsContact O-N 3.13Å; I191-G194 PolarHBondContact O-N 3.18Å
195H83.8Confident81.9Confident67 Ų6775.1 Ų75.131%0.3137%0.374SS..PPolyproline II helixtrans-89.3150.6172.5-69.7-70.5000110.8E190 R193 V197E190-H195 HydrophobicContact CB-CB 4.33Å; E190-H195 PolarHBondContact O-N 3.43Å; R193-H195 VanDerWaalsContact C-N 3.33Å; H195-V197 PolarHBondContact O-N 2.89Å
196P86Confident81.3Confident117 Ų11770.6 Ų70.676%0.7636%0.357SS*.PPolyproline II helixtrans-54.5135.7164.9-20.131.7000109.6S198P196-S198 PolarHBondContact O-N 3.13Å
197V84Confident80.8Confident40 Ų4074.1 Ų74.124%0.24238%0.376CS..PPolyproline II helixtrans-70.9131176.7-176.40000108.6E190 I191 H195 M201 D202E190-V197 WeakPolarHBondContact OE2-CA 3.2Å; I191-V197 HydrophobicContact CD1-CG2 3.88Å; I191-V197 HydrophobicContact CG1-CG2 3.33Å; H195-V197 PolarHBondContact O-N 2.89Å; V197-M201 HydrophobicContact CG1-CB 4.08Å; V197-D202 HydrophobicContact CB-CB 4.47Å; V197-D202 HydrophobicContact CG1-CB 3.76Å
198S78.9Confident79.9Confident34 Ų3476.5 Ų76.524%0.23839%0.39CS..PPolyproline II helixtrans-59.2144.4174.7-68.40000110.1E190 P196 F200 M201E190-S198 WeakPolarHBondContact OE1-CB 3.29Å; E190-S198 PolarHBondContact OE1-OG 3.37Å; E190-S198 PolarHBondContact OE2-N 2.99Å; P196-S198 PolarHBondContact O-N 3.13Å; S198-F200 PolarHBondContact O-N 3.2Å; S198-M201 VanDerWaalsContact O-CB 3.31Å; S198-M201 WeakPolarHBondContact O-CB 3.18Å; S198-M201 PolarHBondContact O-N 2.92Å
199D72.7Confident78.5Confident136 Ų13676.7 Ų76.773%0.72740%0.401SS*.THydrogen-bonded Turntrans-51.8136.7179.8-70-26.4000110.8M201D199-M201 PolarHBondContact O-N 3.32Å; D199-M201 VanDerWaalsContact O-N 3.1Å
200F70.7Confident77.5Confident96 Ų9681.3 Ų81.342%0.42142%0.422SS..THydrogen-bonded Turntrans63.43.1-177.4-41.5-81.5000117S198 C206 L211S198-F200 PolarHBondContact O-N 3.2Å; F200-C206 PolarHBondContact O-SG 3.1Å; F200-L211 HydrophobicContact CB-CD1 3.25Å; F200-L211 HydrophobicContact CD1-CD1 4.13Å; F200-L211 HydrophobicContact CD2-CD1 4.02Å; F200-L211 HydrophobicContact CG-CD1 3.55Å
201M76.8Confident76.1Confident39 Ų3982.6 Ų82.619%0.19243%0.429CS..  trans-92.8-6.9178.8-55.5-55.6178.800113.5G183 E184 G187 V197 S198 D199 R203G183-M201 CarbonylContact C-O 3.59Å; G183-M201 WeakPolarHBondContact CA-SD 3.34Å; G183-M201 WeakPolarHBondContact O-CB 3.47Å; G183-M201 VanDerWaalsContact O-O 3.12Å; E184-M201 WeakPolarHBondContact CA-O 3.05Å; G187-M201 WeakPolarHBondContact CA-O 3.45Å; V197-M201 HydrophobicContact CG1-CB 4.08Å; S198-M201 VanDerWaalsContact O-CB 3.31Å; S198-M201 WeakPolarHBondContact O-CB 3.18Å; S198-M201 PolarHBondContact O-N 2.92Å; D199-M201 PolarHBondContact O-N 3.32Å; D199-M201 VanDerWaalsContact O-N 3.1Å; M201-R203 PolarHBondContact O-N 3.06Å
202D79.7Confident74.4Confident21 Ų2179.5 Ų79.511%0.11241%0.413CS..  trans-83.9108.4175.7-169.7-20.6000111V197 R204 T205 C206V197-D202 HydrophobicContact CB-CB 4.47Å; V197-D202 HydrophobicContact CG1-CB 3.76Å; D202-R204 PolarHBondContact O-N 3.2Å; D202-R204 VanDerWaalsContact OD1-CB 3.23Å; D202-R204 WeakPolarHBondContact OD1-CB 3.4Å; D202-R204 WeakPolarHBondContact OD1-CG 3.49Å; D202-R204 IonicContact OD1-CZ 2.77Å; D202-R204 PolarHBondContact OD1-N 3.48Å; D202-R204 IonicContact OD1-NE 3.02Å; D202-R204 PolarHBondContact OD1-NE 3.23Å; D202-R204 IonicContact OD1-NH2 2.82Å; D202-R204 IonicContact OD2-CZ 2.92Å; D202-R204 IonicContact OD2-NE 2.8Å; D202-R204 PolarHBondContact OD2-NE 3.48Å; D202-R204 IonicContact OD2-NH2 3.31Å; D202-R204 PolarHBondContact OD2-NH2 2.79Å; D202-T205 CarbonylContact O-C 3.59Å; D202-T205 PolarHBondContact O-N 2.67Å; D202-C206 WeakPolarHBondContact O-CA 3.35Å; D202-C206 WeakPolarHBondContact O-CB 3.4Å; D202-C206 PolarHBondContact O-N 3.06Å
203R79.2Confident72.8Confident104 Ų10473 Ų7339%0.39239%0.394SS..THydrogen-bonded Turntrans-54.7-19.4177.271.4176.767.3-147.9-6.9115.1E184 D188 M201E184-R203 HydrophobicContact CB-CB 3.84Å; E184-R203 HydrophobicContact CG-CB 3.51Å; E184-R203 PolarHBondContact O-NH2 3.02Å; E184-R203 WeakPolarHBondContact OE1-CB 3.49Å; D188-R203 IonicContact OD1-CZ 3.67Å; D188-R203 IonicContact OD1-NE 2.89Å; D188-R203 PolarHBondContact OD1-NE 3.35Å; D188-R203 IonicContact OD1-NH2 3.19Å; D188-R203 PolarHBondContact OD1-NH2 3.3Å; D188-R203 IonicContact OD2-CZ 2.85Å; D188-R203 IonicContact OD2-NE 2.71Å; D188-R203 PolarHBondContact OD2-NE 2.88Å; D188-R203 IonicContact OD2-NH1 3.72Å; D188-R203 IonicContact OD2-NH2 3.34Å; D188-R203 PolarHBondContact OD2-NH2 2.81Å; M201-R203 PolarHBondContact O-N 3.06Å
204R77.7Confident71.5Confident176 Ų17669.2 Ų69.266%0.66439%0.387SS*.THydrogen-bonded Turntrans-82-22.6-179.1-58.6169.8-69-178.33112.3I191 D202I191-R204 VanDerWaalsContact CD1-NH2 3.32Å; D202-R204 PolarHBondContact O-N 3.2Å; D202-R204 VanDerWaalsContact OD1-CB 3.23Å; D202-R204 WeakPolarHBondContact OD1-CB 3.4Å; D202-R204 WeakPolarHBondContact OD1-CG 3.49Å; D202-R204 IonicContact OD1-CZ 2.77Å; D202-R204 PolarHBondContact OD1-N 3.48Å; D202-R204 IonicContact OD1-NE 3.02Å; D202-R204 PolarHBondContact OD1-NE 3.23Å; D202-R204 IonicContact OD1-NH2 2.82Å; D202-R204 IonicContact OD2-CZ 2.92Å; D202-R204 IonicContact OD2-NE 2.8Å; D202-R204 PolarHBondContact OD2-NE 3.48Å; D202-R204 IonicContact OD2-NH2 3.31Å; D202-R204 PolarHBondContact OD2-NH2 2.79Å
205T75.4Confident69.9Low110 Ų11068.8 Ų68.868%0.67537%0.366SS*.THydrogen-bonded Turntrans-128.1-6.2-176.2620000112.9D202 N207D202-T205 CarbonylContact O-C 3.59Å; D202-T205 PolarHBondContact O-N 2.67Å; T205-N207 PolarHBondContact O-N 3Å; T205-N207 VanDerWaalsContact O-N 3.09Å
206C66.4Low68.7Low22 Ų2266.3 Ų66.315%0.14936%0.355CS..  trans-62.1111.1180-176.50000109.9F200 D202 V208F200-C206 PolarHBondContact O-SG 3.1Å; D202-C206 WeakPolarHBondContact O-CA 3.35Å; D202-C206 WeakPolarHBondContact O-CB 3.4Å; D202-C206 PolarHBondContact O-N 3.06Å; C206-V208 PolarHBondContact O-N 3.36Å
207N68.3Low67.4Low78 Ų7862.9 Ų62.942%0.41733%0.33SS..  trans-88.896.4168.6-176.1-4.9000108.3T205 A209 E210 L211T205-N207 PolarHBondContact O-N 3Å; T205-N207 VanDerWaalsContact O-N 3.09Å; N207-A209 VanDerWaalsContact C-N 3.28Å; N207-A209 PolarHBondContact O-N 3.03Å; N207-A209 PolarHBondContact OD1-N 3.44Å; N207-E210 HydrophobicContact CB-CB 3.87Å; N207-E210 WeakPolarHBondContact ND2-CB 3.5Å; N207-E210 PolarHBondContact ND2-OE2 2.81Å; N207-E210 VanDerWaalsContact ND2-OE2 3.07Å; N207-E210 PolarHBondContact O-N 3.04Å; N207-E210 VanDerWaalsContact O-N 3.13Å; N207-E210 PolarHBondContact OD1-N 2.87Å; N207-L211 PolarHBondContact O-N 3.5Å
208V64.2Low66.3Low49 Ų4966.9 Ų66.930%0.29735%0.346SS..Hα-helixtrans-53.1-47.5-178.8176.40000111.4V180 C206 E210 L211 Q212V180-V208 HydrophobicContact CB-CG2 4.36Å; V180-V208 HydrophobicContact CG1-CG1 4.49Å; V180-V208 HydrophobicContact CG1-CG2 3.47Å; V180-V208 VanDerWaalsContact CG1-CG2 3.47Å; V180-V208 HydrophobicContact CG2-CB 4.2Å; V180-V208 HydrophobicContact CG2-CG1 3.56Å; V180-V208 HydrophobicContact CG2-CG2 4.02Å; C206-V208 PolarHBondContact O-N 3.36Å; V208-E210 VanDerWaalsContact C-N 3.27Å; V208-E210 PolarHBondContact O-N 3.19Å; V208-L211 PolarHBondContact O-N 3.21Å; V208-Q212 HydrophobicContact CG1-CG 4.38Å; V208-Q212 VanDerWaalsContact O-CG 3.29Å; V208-Q212 WeakPolarHBondContact O-CG 3.48Å; V208-Q212 PolarHBondContact O-N 2.85Å
209A58.5Low65.5Low65 Ų6566.7 Ų66.754%0.53734%0.343SS..Hα-helixtrans-60.8-39-178.100000111.9N207 Q212 S213N207-A209 VanDerWaalsContact C-N 3.28Å; N207-A209 PolarHBondContact O-N 3.03Å; N207-A209 PolarHBondContact OD1-N 3.44Å; A209-Q212 PolarHBondContact O-N 3.17Å; A209-S213 WeakPolarHBondContact O-CB 3.38Å; A209-S213 PolarHBondContact O-N 2.71Å
210E63.2Low65.1Low110 Ų11061.9 Ų61.951%0.51432%0.319SS..Hα-helixtrans-71.5-37.7178.7-171.9173.6-175.300112.5N207 V208 Q212 S213 S214N207-E210 HydrophobicContact CB-CB 3.87Å; N207-E210 WeakPolarHBondContact ND2-CB 3.5Å; N207-E210 PolarHBondContact ND2-OE2 2.81Å; N207-E210 VanDerWaalsContact ND2-OE2 3.07Å; N207-E210 PolarHBondContact O-N 3.04Å; N207-E210 VanDerWaalsContact O-N 3.13Å; N207-E210 PolarHBondContact OD1-N 2.87Å; V208-E210 VanDerWaalsContact C-N 3.27Å; V208-E210 PolarHBondContact O-N 3.19Å; E210-Q212 VanDerWaalsContact C-N 3.31Å; E210-Q212 PolarHBondContact O-N 2.93Å; E210-S213 PolarHBondContact O-N 3.31Å; E210-S214 VanDerWaalsContact O-CB 3.26Å; E210-S214 WeakPolarHBondContact O-CB 3.38Å; E210-S214 PolarHBondContact O-N 2.94Å
211L59.7Low64.9Low32 Ų3257.5 Ų57.517%0.16830%0.3CS..Hα-helixtrans-60.2-44.2172.7-170.4101.3000110.8L179 V180 F200 N207 V208 S214 F215L179-L211 HydrophobicContact CD2-CD2 4.49Å; V180-L211 HydrophobicContact CG2-CD2 4.1Å; F200-L211 HydrophobicContact CB-CD1 3.25Å; F200-L211 HydrophobicContact CD1-CD1 4.13Å; F200-L211 HydrophobicContact CD2-CD1 4.02Å; F200-L211 HydrophobicContact CG-CD1 3.55Å; N207-L211 PolarHBondContact O-N 3.5Å; V208-L211 PolarHBondContact O-N 3.21Å; L211-S214 PolarHBondContact O-N 3.06Å; L211-F215 WeakPolarHBondContact O-CB 3.31Å; L211-F215 PolarHBondContact O-N 2.95Å
212Q51.6Low64.4Low5 Ų555.7 Ų55.72%0.02329%0.291CS..Hα-helixtrans-66.7-46.6179.4-63.9-49.9-35.500112.3S176 V208 A209 E210 S214 F215 M216S176-Q212 VanDerWaalsContact CA-OE1 3.28Å; S176-Q212 VanDerWaalsContact CB-OE1 3.31Å; S176-Q212 PolarHBondContact O-NE2 2.96Å; S176-Q212 WeakPolarHBondContact OG-CG 3.35Å; S176-Q212 PolarHBondContact OG-OE1 3.47Å; V208-Q212 HydrophobicContact CG1-CG 4.38Å; V208-Q212 VanDerWaalsContact O-CG 3.29Å; V208-Q212 WeakPolarHBondContact O-CG 3.48Å; V208-Q212 PolarHBondContact O-N 2.85Å; A209-Q212 PolarHBondContact O-N 3.17Å; E210-Q212 VanDerWaalsContact C-N 3.31Å; E210-Q212 PolarHBondContact O-N 2.93Å; Q212-S214 PolarHBondContact O-N 3.49Å; Q212-F215 PolarHBondContact O-N 3.17Å; Q212-M216 VanDerWaalsContact O-CB 3.25Å; Q212-M216 WeakPolarHBondContact O-CB 3.38Å; Q212-M216 VanDerWaalsContact O-CG 3.28Å; Q212-M216 WeakPolarHBondContact O-CG 3.13Å; Q212-M216 PolarHBondContact O-N 3.28Å
213S57.5Low63.8Low37 Ų3758.3 Ų58.326%0.25931%0.305SS..Hα-helixtrans-59.3-41176.2-158.90000111.5E173 A209 E210 N217E173-S213 VanDerWaalsContact CD-CA 3.47Å; E173-S213 WeakPolarHBondContact OE1-CA 3.37Å; E173-S213 WeakPolarHBondContact OE1-CB 2.92Å; E173-S213 PolarHBondContact OE1-OG 2.84Å; A209-S213 WeakPolarHBondContact O-CB 3.38Å; A209-S213 PolarHBondContact O-N 2.71Å; E210-S213 PolarHBondContact O-N 3.31Å; S213-N217 WeakPolarHBondContact O-CB 3.42Å; S213-N217 PolarHBondContact O-N 3.5Å; S213-N217 PolarHBondContact O-ND2 2.96Å; S213-N217 PolarHBondContact OG-ND2 3.31Å; S213-N217 VanDerWaalsContact OG-ND2 3.13Å
214S58.5Low63.4Low48 Ų4856.9 Ų56.934%0.33630%0.304SS..Hα-helixtrans-63.5-49.5174.5-168.10000112.4E210 L211 Q212 M216 N217 H218E210-S214 VanDerWaalsContact O-CB 3.26Å; E210-S214 WeakPolarHBondContact O-CB 3.38Å; E210-S214 PolarHBondContact O-N 2.94Å; L211-S214 PolarHBondContact O-N 3.06Å; Q212-S214 PolarHBondContact O-N 3.49Å; S214-M216 PolarHBondContact O-N 3.26Å; S214-N217 PolarHBondContact O-N 3.27Å; S214-H218 VanDerWaalsContact O-CB 3.28Å; S214-H218 WeakPolarHBondContact O-CB 3.28Å; S214-H218 PolarHBondContact O-CD2 3.33Å; S214-H218 PolarHBondContact O-N 3.36Å; S214-H218 PolarHBondContact OG-CD2 3.02Å
215F55.6Low63Low59 Ų5950.3 Ų50.326%0.25928%0.283SS..Hα-helixtrans-61.5-44.8-179.1-177.1-108.7000111.8L149 L211 Q212 V219 V220L149-F215 HydrophobicContact CD1-CE2 4.43Å; L211-F215 WeakPolarHBondContact O-CB 3.31Å; L211-F215 PolarHBondContact O-N 2.95Å; Q212-F215 PolarHBondContact O-N 3.17Å; F215-V219 HydrophobicContact CD2-CB 3.94Å; F215-V219 HydrophobicContact CD2-CG1 4.41Å; F215-V219 HydrophobicContact CD2-CG2 3.74Å; F215-V219 HydrophobicContact CE2-CB 3.83Å; F215-V219 HydrophobicContact CE2-CG1 3.78Å; F215-V219 HydrophobicContact CE2-CG2 3.88Å; F215-V219 HydrophobicContact CZ-CB 4.32Å; F215-V219 HydrophobicContact CZ-CG1 4.08Å; F215-V219 WeakPolarHBondContact O-CA 3.32Å; F215-V219 WeakPolarHBondContact O-CB 2.78Å; F215-V219 PolarHBondContact O-N 2.9Å; F215-V220 HydrophobicContact CD1-CG2 3.86Å; F215-V220 HydrophobicContact CE1-CG2 3.44Å; F215-V220 VanDerWaalsContact CE1-CG2 3.44Å; F215-V220 HydrophobicContact CZ-CG2 4.09Å; F215-V220 PolarHBondContact O-N 3.15Å
216M57.2Low62.9Low14 Ų1445.1 Ų45.17%0.06925%0.251CS..Iπ-helixtrans-72.2-39.9-177.8-71.5-67.4-48.700112.1N172 E173 D174 Q212 S214 V220 S221N172-M216 VanDerWaalsContact C-CE 3.5Å; N172-M216 VanDerWaalsContact O-CB 3.32Å; N172-M216 WeakPolarHBondContact O-CB 3.48Å; N172-M216 WeakPolarHBondContact O-CE 3.42Å; E173-M216 VanDerWaalsContact C-CE 3.45Å; E173-M216 HydrophobicContact CB-CB 3.99Å; E173-M216 HydrophobicContact CB-CG 3.82Å; E173-M216 HydrophobicContact CG-CB 3.27Å; E173-M216 HydrophobicContact CG-CG 3.54Å; D174-M216 PolarHBondContact N-SD 3.21Å; Q212-M216 VanDerWaalsContact O-CB 3.25Å; Q212-M216 WeakPolarHBondContact O-CB 3.38Å; Q212-M216 VanDerWaalsContact O-CG 3.28Å; Q212-M216 WeakPolarHBondContact O-CG 3.13Å; Q212-M216 PolarHBondContact O-N 3.28Å; S214-M216 PolarHBondContact O-N 3.26Å; M216-V220 HydrophobicContact CE-CB 3.68Å; M216-V220 HydrophobicContact CE-CG1 3.44Å; M216-V220 VanDerWaalsContact CE-CG1 3.44Å; M216-V220 HydrophobicContact CE-CG2 4.19Å; M216-V220 HydrophobicContact SD-CB 3.74Å; M216-V220 HydrophobicContact SD-CG1 4.05Å; M216-V220 HydrophobicContact SD-CG2 3.62Å; M216-S221 WeakPolarHBondContact O-CB 3.13Å; M216-S221 PolarHBondContact O-N 3.43Å; M216-S221 PolarHBondContact O-OG 3.22Å
217N59Low63.4Low46 Ų4645.7 Ų45.725%0.24625%0.252CS..Iπ-helixtrans-73.5-28.5177.8-69.7-37.4000113.2M170 S213 S214M170-N217 WeakPolarHBondContact CE-O 3.26Å; S213-N217 WeakPolarHBondContact O-CB 3.42Å; S213-N217 PolarHBondContact O-N 3.5Å; S213-N217 PolarHBondContact O-ND2 2.96Å; S213-N217 PolarHBondContact OG-ND2 3.31Å; S213-N217 VanDerWaalsContact OG-ND2 3.13Å; S214-N217 PolarHBondContact O-N 3.27Å
218H62.2Low63.8Low124 Ų12445.9 Ų45.957%0.57426%0.256SS*.Iπ-helixtrans-110.3-15-173.3-59.3-54.5000115.2S214 P222S214-H218 VanDerWaalsContact O-CB 3.28Å; S214-H218 WeakPolarHBondContact O-CB 3.28Å; S214-H218 PolarHBondContact O-CD2 3.33Å; S214-H218 PolarHBondContact O-N 3.36Å; S214-H218 PolarHBondContact OG-CD2 3.02Å; H218-P222 VanDerWaalsContact C-CG 3.48Å; H218-P222 VanDerWaalsContact O-CG 3.31Å; H218-P222 WeakPolarHBondContact O-CG 3.25Å
219V60.5Low64.3Low29 Ų2946.3 Ų46.318%0.17626%0.255CS..Iπ-helixtrans-119.1-58.7179.9-174.60000111.2L149 H152 F215 P222 L223L149-V219 HydrophobicContact CD2-CG1 4.19Å; H152-V219 WeakPolarHBondContact NE2-CG1 3.37Å; H152-V219 PolarHBondContact NE2-O 2.95Å; F215-V219 HydrophobicContact CD2-CB 3.94Å; F215-V219 HydrophobicContact CD2-CG1 4.41Å; F215-V219 HydrophobicContact CD2-CG2 3.74Å; F215-V219 HydrophobicContact CE2-CB 3.83Å; F215-V219 HydrophobicContact CE2-CG1 3.78Å; F215-V219 HydrophobicContact CE2-CG2 3.88Å; F215-V219 HydrophobicContact CZ-CB 4.32Å; F215-V219 HydrophobicContact CZ-CG1 4.08Å; F215-V219 WeakPolarHBondContact O-CA 3.32Å; F215-V219 WeakPolarHBondContact O-CB 2.78Å; F215-V219 PolarHBondContact O-N 2.9Å; V219-P222 WeakPolarHBondContact O-CG 3.41Å; V219-L223 PolarHBondContact O-N 3Å
220V65.8Low65.3Low35 Ų3544 Ų4421%0.21224%0.236CC..Iπ-helixtrans-77.3-53.7-169.6-178.40000112.7F215 M216 L223 L224F215-V220 HydrophobicContact CD1-CG2 3.86Å; F215-V220 HydrophobicContact CE1-CG2 3.44Å; F215-V220 VanDerWaalsContact CE1-CG2 3.44Å; F215-V220 HydrophobicContact CZ-CG2 4.09Å; F215-V220 PolarHBondContact O-N 3.15Å; M216-V220 HydrophobicContact CE-CB 3.68Å; M216-V220 HydrophobicContact CE-CG1 3.44Å; M216-V220 VanDerWaalsContact CE-CG1 3.44Å; M216-V220 HydrophobicContact CE-CG2 4.19Å; M216-V220 HydrophobicContact SD-CB 3.74Å; M216-V220 HydrophobicContact SD-CG1 4.05Å; M216-V220 HydrophobicContact SD-CG2 3.62Å; V220-L223 PolarHBondContact O-N 3.02Å; V220-L223 VanDerWaalsContact O-N 3.13Å; V220-L224 HydrophobicContact CG1-CD1 3.67Å; V220-L224 HydrophobicContact CG1-CG 4.05Å; V220-L224 PolarHBondContact O-N 2.87Å
221S65.1Low66.3Low4 Ų444.8 Ų44.83%0.02824%0.239CC..Hα-helixtrans-51.5-51.3177-56.90000112.2S171 N172 M216 L223 L224 N225S171-S221 VanDerWaalsContact C-OG 3.25Å; S171-S221 WeakPolarHBondContact CA-OG 3.19Å; N172-S221 PolarHBondContact N-OG 3.44Å; N172-S221 PolarHBondContact O-OG 2.89Å; M216-S221 WeakPolarHBondContact O-CB 3.13Å; M216-S221 PolarHBondContact O-N 3.43Å; M216-S221 PolarHBondContact O-OG 3.22Å; S221-L223 VanDerWaalsContact C-N 3.31Å; S221-L223 PolarHBondContact O-N 3.23Å; S221-L224 PolarHBondContact O-N 3.32Å; S221-N225 WeakPolarHBondContact O-CB 3.33Å; S221-N225 PolarHBondContact O-N 2.9Å; S221-N225 PolarHBondContact O-ND2 3.1Å
222P67.8Low67.3Low1 Ų145 Ų451%0.00624%0.241CC..Hα-helixtrans-54.9-45.4177.40.8-8.2000114.3L156 M170 H218 V219 A226L156-P222 HydrophobicContact CD1-CB 4.03Å; L156-P222 HydrophobicContact CD2-CB 3.3Å; L156-P222 HydrophobicContact CD2-CG 4.26Å; L156-P222 HydrophobicContact CG-CB 4.28Å; M170-P222 HydrophobicContact CE-CB 3.4Å; M170-P222 VanDerWaalsContact CE-CB 3.4Å; M170-P222 VanDerWaalsContact CE-CD 3.45Å; M170-P222 HydrophobicContact CE-CG 3.21Å; M170-P222 WeakPolarHBondContact SD-CA 3.36Å; M170-P222 HydrophobicContact SD-CB 3.29Å; M170-P222 WeakPolarHBondContact SD-CB 3.31Å; M170-P222 HydrophobicContact SD-CG 3.74Å; H218-P222 VanDerWaalsContact C-CG 3.48Å; H218-P222 VanDerWaalsContact O-CG 3.31Å; H218-P222 WeakPolarHBondContact O-CG 3.25Å; V219-P222 WeakPolarHBondContact O-CG 3.41Å; P222-A226 WeakPolarHBondContact O-CB 3.39Å; P222-A226 PolarHBondContact O-N 3.32Å
223L67.2Low68.8Low76 Ų7647.3 Ų47.340%0.39825%0.253SS..Hα-helixtrans-65-49.1-179.7178.962.5000111.1V219 V220 S221 N225 A226 L227V219-L223 PolarHBondContact O-N 3Å; V220-L223 PolarHBondContact O-N 3.02Å; V220-L223 VanDerWaalsContact O-N 3.13Å; S221-L223 VanDerWaalsContact C-N 3.31Å; S221-L223 PolarHBondContact O-N 3.23Å; L223-N225 VanDerWaalsContact C-N 3.34Å; L223-N225 PolarHBondContact O-N 2.84Å; L223-A226 WeakPolarHBondContact O-CB 3.21Å; L223-A226 PolarHBondContact O-N 3.39Å; L223-A226 VanDerWaalsContact O-N 3.1Å; L223-L227 HydrophobicContact CG-CD1 4.36Å; L223-L227 WeakPolarHBondContact O-CG 3.16Å; L223-L227 PolarHBondContact O-N 2.63Å
224L69.6Low69.7Low74 Ų7446.5 Ų46.539%0.38725%0.247SC..Hα-helixtrans-59-46.3178.5-75.9177.1000111.6V220 S221 A226 L227 V228V220-L224 HydrophobicContact CG1-CD1 3.67Å; V220-L224 HydrophobicContact CG1-CG 4.05Å; V220-L224 PolarHBondContact O-N 2.87Å; S221-L224 PolarHBondContact O-N 3.32Å; L224-A226 PolarHBondContact O-N 3.46Å; L224-L227 WeakPolarHBondContact O-CB 3.29Å; L224-L227 PolarHBondContact O-N 2.62Å; L224-L227 VanDerWaalsContact O-N 3.17Å; L224-V228 WeakPolarHBondContact O-CG2 3.41Å; L224-V228 PolarHBondContact O-N 2.71Å
225N70.7Confident70.6Confident38 Ų3848.2 Ų48.220%0.20325%0.251CS..Hα-helixtrans-61.8-38.7177.2-68.3-46.1000111.2L168 D169 M170 S221 L223 L227 V228 Q229L168-N225 HydrophobicContact CB-CB 4.2Å; L168-N225 HydrophobicContact CD2-CB 3.33Å; L168-N225 WeakPolarHBondContact CD2-O 3.41Å; L168-N225 HydrophobicContact CG-CB 4.3Å; D169-N225 PolarHBondContact O-ND2 3.41Å; D169-N225 PolarHBondContact O-OD1 3.13Å; M170-N225 WeakPolarHBondContact CA-ND2 3.42Å; S221-N225 WeakPolarHBondContact O-CB 3.33Å; S221-N225 PolarHBondContact O-N 2.9Å; S221-N225 PolarHBondContact O-ND2 3.1Å; L223-N225 VanDerWaalsContact C-N 3.34Å; L223-N225 PolarHBondContact O-N 2.84Å; N225-L227 VanDerWaalsContact C-N 3.3Å; N225-L227 PolarHBondContact O-N 3.25Å; N225-V228 PolarHBondContact O-N 3.19Å; N225-Q229 WeakPolarHBondContact O-CB 3.07Å; N225-Q229 WeakPolarHBondContact O-CG 3.46Å; N225-Q229 PolarHBondContact O-N 3.47Å
226A72.5Confident71Confident1 Ų151.4 Ų51.41%0.00827%0.271CS..Hα-helixtrans-63.8-41.7178.400000110.3L156 F159 T160 L168 P222 L223 L224 Q229 A230L156-A226 HydrophobicContact CD1-CB 3.92Å; F159-A226 HydrophobicContact CD1-CB 3.66Å; F159-A226 HydrophobicContact CE1-CB 3.65Å; T160-A226 HydrophobicContact CG2-CB 3.72Å; L168-A226 HydrophobicContact CD1-CB 3.97Å; L168-A226 HydrophobicContact CD2-CB 4.32Å; L168-A226 VanDerWaalsContact CD2-N 3.27Å; P222-A226 WeakPolarHBondContact O-CB 3.39Å; P222-A226 PolarHBondContact O-N 3.32Å; L223-A226 WeakPolarHBondContact O-CB 3.21Å; L223-A226 PolarHBondContact O-N 3.39Å; L223-A226 VanDerWaalsContact O-N 3.1Å; L224-A226 PolarHBondContact O-N 3.46Å; A226-Q229 PolarHBondContact O-N 2.87Å; A226-A230 VanDerWaalsContact O-CB 3.23Å; A226-A230 WeakPolarHBondContact O-CB 3.39Å; A226-A230 PolarHBondContact O-N 2.94Å
227L76.5Confident71Confident35 Ų3558 Ų5818%0.18330%0.301CS..Hα-helixtrans-64.7-39.7174.4-65.4172000112.3F159 L223 L224 N225 A230 E231 L232 L233F159-L227 HydrophobicContact CZ-CD2 4.21Å; L223-L227 HydrophobicContact CG-CD1 4.36Å; L223-L227 WeakPolarHBondContact O-CG 3.16Å; L223-L227 PolarHBondContact O-N 2.63Å; L224-L227 WeakPolarHBondContact O-CB 3.29Å; L224-L227 PolarHBondContact O-N 2.62Å; L224-L227 VanDerWaalsContact O-N 3.17Å; N225-L227 VanDerWaalsContact C-N 3.3Å; N225-L227 PolarHBondContact O-N 3.25Å; L227-A230 PolarHBondContact O-N 3.48Å; L227-E231 PolarHBondContact O-N 2.85Å; L227-L232 HydrophobicContact CD2-CB 4.25Å; L227-L232 HydrophobicContact CD2-CD1 4.07Å; L227-L232 PolarHBondContact O-N 3.02Å; L227-L233 HydrophobicContact CB-CD2 3.8Å; L227-L233 HydrophobicContact CB-CG 3.96Å; L227-L233 HydrophobicContact CD1-CD2 4Å
228V76.9Confident70.7Confident81 Ų8164.4 Ų64.449%0.49133%0.33SS..Hα-helixtrans-61.2-48.4173.5171.20000110.5L224 N225 A230 E231 L233L224-V228 WeakPolarHBondContact O-CG2 3.41Å; L224-V228 PolarHBondContact O-N 2.71Å; N225-V228 PolarHBondContact O-N 3.19Å; V228-A230 VanDerWaalsContact C-N 3.29Å; V228-A230 PolarHBondContact O-N 2.75Å; V228-E231 WeakPolarHBondContact O-CA 3.23Å; V228-E231 PolarHBondContact O-N 3.09Å; V228-L233 HydrophobicContact CG2-CD1 3.4Å; V228-L233 VanDerWaalsContact CG2-CD1 3.4Å; V228-L233 HydrophobicContact CG2-CG 4.2Å
229Q75.3Confident69.8Low59 Ų5966.9 Ų66.928%0.27635%0.354SS..Hα-helixtrans-67.3-31.5-179.4-72.8-168.6-10.300112.9S164 R166 P167 L168 N225 A226 E231S164-Q229 WeakPolarHBondContact OG-CB 3.06Å; S164-Q229 PolarHBondContact OG-O 2.89Å; R166-Q229 PolarHBondContact O-OE1 2.88Å; R166-Q229 VanDerWaalsContact O-OE1 3.04Å; P167-Q229 VanDerWaalsContact C-NE2 3.31Å; P167-Q229 PolarHBondContact O-NE2 3Å; L168-Q229 HydrophobicContact CD2-CB 4.17Å; L168-Q229 HydrophobicContact CD2-CG 3.56Å; L168-Q229 VanDerWaalsContact CG-OE1 3.31Å; N225-Q229 WeakPolarHBondContact O-CB 3.07Å; N225-Q229 WeakPolarHBondContact O-CG 3.46Å; N225-Q229 PolarHBondContact O-N 3.47Å; A226-Q229 PolarHBondContact O-N 2.87Å; Q229-E231 PolarHBondContact O-N 3.13Å
230A79.6Confident70.3Confident17 Ų1768.8 Ų68.814%0.1436%0.363CS..THydrogen-bonded Turntrans-75.3-3.3171.500000113.2F159 A163 A226 L227 V228 L232F159-A230 HydrophobicContact CE1-CB 4.08Å; F159-A230 HydrophobicContact CZ-CB 3.69Å; A163-A230 HydrophobicContact CB-CB 3.8Å; A226-A230 VanDerWaalsContact O-CB 3.23Å; A226-A230 WeakPolarHBondContact O-CB 3.39Å; A226-A230 PolarHBondContact O-N 2.94Å; L227-A230 PolarHBondContact O-N 3.48Å; V228-A230 VanDerWaalsContact C-N 3.29Å; V228-A230 PolarHBondContact O-N 2.75Å; A230-L232 HydrophobicContact CB-CB 4.39Å; A230-L232 HydrophobicContact CB-CD1 3.68Å; A230-L232 HydrophobicContact CB-CG 3.66Å; A230-L232 PolarHBondContact O-N 3.31Å
231E82.6Confident70.5Confident125 Ų12570.6 Ų70.658%0.58437%0.371SS*.THydrogen-bonded Turntrans53.539.7-174.2-54.2179.9168.900112.4V47 A49 L227 V228 Q229V47-E231 WeakPolarHBondContact CG1-O 3.18Å; A49-E231 HydrophobicContact CB-CB 3.54Å; A49-E231 HydrophobicContact CB-CG 4.46Å; A49-E231 VanDerWaalsContact CB-OE2 3.26Å; A49-E231 WeakPolarHBondContact CB-OE2 3.48Å; L227-E231 PolarHBondContact O-N 2.85Å; V228-E231 WeakPolarHBondContact O-CA 3.23Å; V228-E231 PolarHBondContact O-N 3.09Å; Q229-E231 PolarHBondContact O-N 3.13Å
232L82.3Confident70.8Confident37 Ų3774.3 Ų74.319%0.19439%0.39CS..  trans-102.5-7.9-176.6-67178.5000114.1Y50 L57 F159 L227 A230Y50-L232 HydrophobicContact CE2-CD2 3.79Å; L57-L232 HydrophobicContact CD1-CD2 3.5Å; L57-L232 HydrophobicContact CD2-CD2 4.36Å; F159-L232 HydrophobicContact CE2-CD1 4.11Å; F159-L232 HydrophobicContact CZ-CD1 3.74Å; L227-L232 HydrophobicContact CD2-CB 4.25Å; L227-L232 HydrophobicContact CD2-CD1 4.07Å; L227-L232 PolarHBondContact O-N 3.02Å; A230-L232 HydrophobicContact CB-CB 4.39Å; A230-L232 HydrophobicContact CB-CD1 3.68Å; A230-L232 HydrophobicContact CB-CG 3.66Å; A230-L232 PolarHBondContact O-N 3.31Å
233L81.5Confident71Confident53 Ų5378.6 Ų78.628%0.27741%0.413SS..  trans-77.3129.3179.2-72.6-170.5000111.2L42 L227 V228L42-L233 HydrophobicContact CD2-CD2 4.29Å; L227-L233 HydrophobicContact CB-CD2 3.8Å; L227-L233 HydrophobicContact CB-CG 3.96Å; L227-L233 HydrophobicContact CD1-CD2 4Å; V228-L233 HydrophobicContact CG2-CD1 3.4Å; V228-L233 VanDerWaalsContact CG2-CD1 3.4Å; V228-L233 HydrophobicContact CG2-CG 4.2Å
234P77.6Confident71.2Confident21 Ų2178.8 Ų78.814%0.13641%0.414CS..  trans-63.8143.5169.5-14.727.2000110.7F41 L42 H45 W46 V47F41-P234 HydrophobicContact CD1-CG 4.22Å; F41-P234 HydrophobicContact CE1-CB 4.03Å; F41-P234 HydrophobicContact CE1-CG 4.01Å; L42-P234 HydrophobicContact CD2-CG 4.1Å; H45-P234 HydrophobicContact CB-CB 3.63Å; H45-P234 HydrophobicContact CB-CG 4.04Å; W46-P234 WeakPolarHBondContact O-CA 3.47Å; W46-P234 WeakPolarHBondContact O-CB 3.36Å; V47-P234 HydrophobicContact CG2-CB 4.38Å; V47-P234 HydrophobicContact CG2-CG 4.27Å
235I77.8Confident71.3Confident84 Ų8479.1 Ų79.143%0.43142%0.416SS..  trans-121.6148.4166.646.4167.3000109.7W46 P48 E237W46-I235 HydrophobicContact CE3-CG1 3.88Å; W46-I235 HydrophobicContact CH2-CD1 4.39Å; W46-I235 HydrophobicContact CZ3-CD1 3.71Å; W46-I235 HydrophobicContact CZ3-CG1 3.55Å; W46-I235 PolarHBondContact O-N 2.83Å; P48-I235 HydrophobicContact CB-CD1 4.48Å; P48-I235 HydrophobicContact CG-CD1 3.19Å; P48-I235 HydrophobicContact CG-CG1 3.32Å; I235-E237 PolarHBondContact O-N 3.41Å
236D63.6Low71.4Confident126 Ų12682 Ų8267%0.67443%0.431SS*.  trans-66.1128176.2-135.8-17.9000108.3Q238 T239D236-Q238 PolarHBondContact O-N 3.07Å; D236-T239 PolarHBondContact O-N 3.34Å; D236-T239 PolarHBondContact O-OG1 3.42Å
237E57.7Low71.3Confident151 Ų15188.2 Ų88.271%0.70646%0.463SS*.THydrogen-bonded Turntrans-60.3-4.7-179.2-79.7-174.6158.200113.4W46 I235W46-E237 HydrophobicContact CB-CG 4.23Å; W46-E237 HydrophobicContact CD2-CG 3.96Å; W46-E237 HydrophobicContact CE3-CG 3.87Å; W46-E237 HydrophobicContact CG-CG 4.12Å; W46-E237 HydrophobicContact CZ3-CG 4.46Å; I235-E237 PolarHBondContact O-N 3.41Å
238Q52.5Low70.8Confident181 Ų18192.7 Ų92.785%0.84649%0.487SS*.THydrogen-bonded Turntrans-94.94.1-176.9-65.7-1698.300115.7D236D236-Q238 PolarHBondContact O-N 3.07Å
239T42.6Very low70.3Confident177 Ų17793.7 Ų93.7100%1.08649%0.486SS*.  trans-98.50173.851.30000114.1D236D236-T239 PolarHBondContact O-N 3.34Å; D236-T239 PolarHBondContact O-OG1 3.42Å

Retrieved 239 of 239 residues in 82.9 ms (Link to these results)

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