A0A077Z202_TRITR Loading...

Carnitine O palmitoyltransferase 2

AlphaFold DB , UniProt , Accession A0A077Z202, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 639 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
1M42Very low38.4Very low242 Ų242150.4 Ų150.4100%1.19284%0.84SS**  0106.50-88.7173.2177.500107.5L3M1-L3 PolarHBondContact O-N 3.33Å
2T38.8Very low41.2Very low147 Ų147142.9 Ų142.990%0.90281%0.806SS**  trans-68.5111.8176.637.80000109.6
3L41.1Very low44.8Very low161 Ų161140.5 Ų140.584%0.84379%0.79SS**  trans-69.5137.9168.7-75.2164.6000109M1 V5M1-L3 PolarHBondContact O-N 3.33Å; L3-V5 PolarHBondContact O-N 2.89Å
4P35Very low48.1Very low115 Ų115134.1 Ų134.175%0.74775%0.747SS**  trans-73.8126.9179.930.5-31.2000109.6R6P4-R6 PolarHBondContact O-N 3.11Å
5V35.1Very low50.9Low127 Ų127127.6 Ų127.677%0.7772%0.723SS**  trans-62.9111.8164.3176.70000107.3L3 S7L3-V5 PolarHBondContact O-N 2.89Å; V5-S7 VanDerWaalsContact C-N 3.29Å; V5-S7 PolarHBondContact O-N 3.3Å
6R34.8Very low53.6Low245 Ų245121.8 Ų121.893%0.92569%0.693SS**  trans-71.889.8164.5-91.3-175.5172.3-178.4-2108.1P4P4-R6 PolarHBondContact O-N 3.11Å
7S29Very low55.9Low101 Ų101119.1 Ų119.171%0.70668%0.676SS**  trans-95.398.8162.961.10000109.3V5V5-S7 VanDerWaalsContact C-N 3.29Å; V5-S7 PolarHBondContact O-N 3.3Å
8S34.6Very low57.9Low110 Ų110116.3 Ų116.377%0.76967%0.671SS**  trans-176.4118.9146.652.20000110.4S10S8-S10 VanDerWaalsContact C-N 3.34Å; S8-S10 PolarHBondContact O-N 2.82Å
9S35.2Very low59.9Low120 Ų120110.4 Ų110.484%0.83964%0.636SS**  trans-64.489.5163.352.90000109.5Q11S9-Q11 PolarHBondContact O-N 2.67Å
10S43.1Very low61.8Low93 Ų93105.1 Ų105.165%0.6561%0.605SS**  trans-65.1119.1151.156.50000106.1S8 S12S8-S10 VanDerWaalsContact C-N 3.34Å; S8-S10 PolarHBondContact O-N 2.82Å; S10-S12 VanDerWaalsContact C-N 3.33Å; S10-S12 PolarHBondContact O-N 3.37Å
11Q54Low63.5Low193 Ų193100.7 Ų100.790%0.90258%0.579SS**  trans-56.9103.2169-84.1179.4-17.500107.4S9 D13S9-Q11 PolarHBondContact O-N 2.67Å; Q11-D13 PolarHBondContact O-N 3.36Å
12S71.6Confident66Low61 Ų6190.1 Ų90.143%0.42753%0.527SS..  trans-61.3124.8176.4-53.20000108.1S10 Y14S10-S12 VanDerWaalsContact C-N 3.33Å; S10-S12 PolarHBondContact O-N 3.37Å; S12-Y14 VanDerWaalsContact C-N 3.31Å; S12-Y14 VanDerWaalsContact CB-CZ 3.47Å; S12-Y14 WeakPolarHBondContact O-CD2 3.42Å; S12-Y14 PolarHBondContact O-N 2.86Å
13D87.7Confident68.6Low111 Ų11184.9 Ų84.959%0.59449%0.492SS*.  trans-73.388.4174.6178.413000109.5Q11 G15 S16Q11-D13 PolarHBondContact O-N 3.36Å; D13-G15 PolarHBondContact O-N 3.09Å; D13-G15 WeakPolarHBondContact OD1-CA 3.3Å; D13-G15 PolarHBondContact OD1-N 3.24Å; D13-S16 VanDerWaalsContact O-CB 3.28Å; D13-S16 WeakPolarHBondContact O-CB 3.46Å; D13-S16 PolarHBondContact O-N 3.15Å; D13-S16 VanDerWaalsContact O-N 3.14Å; D13-S16 PolarHBondContact O-OG 2.71Å; D13-S16 PolarHBondContact OD1-N 3.24Å
14Y91.1Very high71.1Confident51 Ų5184 Ų8420%0.248%0.478CS..THydrogen-bonded Turntrans-70.5-7.5174.5-58.8-55.7000112.6S12 S16 Y19 Q20 P247 P248 Q249S12-Y14 VanDerWaalsContact C-N 3.31Å; S12-Y14 VanDerWaalsContact CB-CZ 3.47Å; S12-Y14 WeakPolarHBondContact O-CD2 3.42Å; S12-Y14 PolarHBondContact O-N 2.86Å; Y14-S16 VanDerWaalsContact C-N 3.31Å; Y14-Y19 AromaticContact CD1-CD1 3.81Å; Y14-Y19 HydrophobicContact CD1-CD1 3.81Å; Y14-Y19 AromaticContact CD1-CD2 3.97Å; Y14-Y19 HydrophobicContact CD1-CD2 3.97Å; Y14-Y19 AromaticContact CD1-CE1 3.92Å; Y14-Y19 HydrophobicContact CD1-CE1 3.92Å; Y14-Y19 HydrophobicContact CD1-CE2 4.12Å; Y14-Y19 AromaticContact CD1-CG 3.81Å; Y14-Y19 HydrophobicContact CD1-CG 3.81Å; Y14-Y19 HydrophobicContact CE1-CD2 4.49Å; Y14-Y19 HydrophobicContact CE1-CE2 4.5Å; Y14-Y19 HydrophobicContact CG-CD1 4.25Å; Y14-Y19 HydrophobicContact CG-CE1 4.3Å; Y14-Y19 VanDerWaalsContact O-CD1 3.27Å; Y14-Y19 WeakPolarHBondContact O-CD1 3.49Å; Y14-Q20 PolarHBondContact O-NE2 2.85Å; Y14-P247 HydrophobicContact CD2-CB 3.66Å; Y14-P247 HydrophobicContact CD2-CG 3.7Å; Y14-P247 HydrophobicContact CE2-CB 3.71Å; Y14-P247 HydrophobicContact CE2-CG 4.2Å; Y14-P247 HydrophobicContact CG-CB 4.23Å; Y14-P247 HydrophobicContact CG-CG 4.29Å; Y14-P248 HydrophobicContact CE1-CG 4.01Å; Y14-Q249 VanDerWaalsContact OH-CD 3.24Å; Y14-Q249 PolarHBondContact OH-NE2 2.92Å; Y14-Q249 PolarHBondContact OH-OE1 2.98Å
15G91.1Very high73.8Confident37 Ų3779.4 Ų79.438%0.38145%0.449SS..THydrogen-bonded Turntrans-78.5-17.3168.600000113.1D13D13-G15 PolarHBondContact O-N 3.09Å; D13-G15 WeakPolarHBondContact OD1-CA 3.3Å; D13-G15 PolarHBondContact OD1-N 3.24Å
16S93.7Very high76.4Confident34 Ų3478.3 Ų78.324%0.23844%0.437CS..SBendtrans-66147.7-174.970.40000113.5D13 Y14 A18 Y19 Q20D13-S16 VanDerWaalsContact O-CB 3.28Å; D13-S16 WeakPolarHBondContact O-CB 3.46Å; D13-S16 PolarHBondContact O-N 3.15Å; D13-S16 VanDerWaalsContact O-N 3.14Å; D13-S16 PolarHBondContact O-OG 2.71Å; D13-S16 PolarHBondContact OD1-N 3.24Å; Y14-S16 VanDerWaalsContact C-N 3.31Å; S16-A18 PolarHBondContact O-N 3.16Å; S16-A18 VanDerWaalsContact O-N 3.16Å; S16-Y19 PolarHBondContact O-N 3.05Å; S16-Y19 PolarHBondContact OG-N 2.98Å; S16-Q20 WeakPolarHBondContact O-CB 3.4Å; S16-Q20 WeakPolarHBondContact O-CG 3.34Å; S16-Q20 PolarHBondContact O-N 3.22Å
17D92.7Very high79.1Confident76 Ų7666.8 Ų66.841%0.40639%0.394SS..Hα-helixtrans-54.1-34.8172.3-83.60.1000112.4Y19 Q20 F21 R24D17-Y19 PolarHBondContact O-N 3.41Å; D17-Q20 PolarHBondContact O-N 3.17Å; D17-F21 HydrophobicContact CB-CD2 4.23Å; D17-F21 PolarHBondContact O-N 2.82Å; D17-R24 IonicContact OD1-NH1 3.73Å; D17-R24 IonicContact OD2-CZ 2.64Å; D17-R24 IonicContact OD2-NH1 3.63Å; D17-R24 PolarHBondContact OD2-NH1 3.45Å
18A92.5Very high82.2Confident70 Ų7065 Ų6558%0.57938%0.38SS*.Hα-helixtrans-60.6-34179.800000112.2S16 R148S16-A18 PolarHBondContact O-N 3.16Å; S16-A18 VanDerWaalsContact O-N 3.16Å; A18-R148 PolarHBondContact O-NH1 3.04Å
19Y95.8Very high85.1Confident4 Ų459.8 Ų59.82%0.01634%0.343CS..Hα-helixtrans-90-36.1173.5178.5-108.7000113.2Y14 S16 D17 F21 V144 R148 L245 I246 P248 W379Y14-Y19 AromaticContact CD1-CD1 3.81Å; Y14-Y19 HydrophobicContact CD1-CD1 3.81Å; Y14-Y19 AromaticContact CD1-CD2 3.97Å; Y14-Y19 HydrophobicContact CD1-CD2 3.97Å; Y14-Y19 AromaticContact CD1-CE1 3.92Å; Y14-Y19 HydrophobicContact CD1-CE1 3.92Å; Y14-Y19 HydrophobicContact CD1-CE2 4.12Å; Y14-Y19 AromaticContact CD1-CG 3.81Å; Y14-Y19 HydrophobicContact CD1-CG 3.81Å; Y14-Y19 HydrophobicContact CE1-CD2 4.49Å; Y14-Y19 HydrophobicContact CE1-CE2 4.5Å; Y14-Y19 HydrophobicContact CG-CD1 4.25Å; Y14-Y19 HydrophobicContact CG-CE1 4.3Å; Y14-Y19 VanDerWaalsContact O-CD1 3.27Å; Y14-Y19 WeakPolarHBondContact O-CD1 3.49Å; S16-Y19 PolarHBondContact O-N 3.05Å; S16-Y19 PolarHBondContact OG-N 2.98Å; D17-Y19 PolarHBondContact O-N 3.41Å; Y19-F21 PolarHBondContact O-N 3.03Å; Y19-V144 HydrophobicContact CE2-CG1 3.8Å; Y19-R148 VanDerWaalsContact O-CG 3.32Å; Y19-R148 WeakPolarHBondContact O-CG 3.25Å; Y19-R148 PolarHBondContact O-NH1 2.86Å; Y19-L245 HydrophobicContact CE1-CB 4.16Å; Y19-L245 HydrophobicContact CE1-CD2 4.01Å; Y19-L245 HydrophobicContact CE1-CG 3.89Å; Y19-L245 HydrophobicContact CE2-CD2 4.48Å; Y19-I246 PolarHBondContact OH-O 3.06Å; Y19-P248 HydrophobicContact CD2-CG 4.48Å; Y19-P248 HydrophobicContact CE2-CG 3.45Å; Y19-P248 VanDerWaalsContact CE2-CG 3.45Å; Y19-P248 WeakPolarHBondContact OH-CD 3.25Å; Y19-P248 WeakPolarHBondContact OH-CG 3.5Å; Y19-W379 HydrophobicContact CD2-CD2 4.15Å; Y19-W379 AromaticContact CD2-CE3 3.69Å; Y19-W379 HydrophobicContact CD2-CE3 3.69Å; Y19-W379 AromaticContact CD2-CH2 3.86Å; Y19-W379 HydrophobicContact CD2-CH2 3.86Å; Y19-W379 HydrophobicContact CD2-CZ2 4.3Å; Y19-W379 AromaticContact CD2-CZ3 3.54Å; Y19-W379 HydrophobicContact CD2-CZ3 3.54Å; Y19-W379 HydrophobicContact CE2-CD2 4.16Å; Y19-W379 AromaticContact CE2-CE3 3.98Å; Y19-W379 HydrophobicContact CE2-CE3 3.98Å; Y19-W379 HydrophobicContact CE2-CZ3 4.3Å; Y19-W379 HydrophobicContact CG-CZ3 4.49Å
20Q96.9Very high87.9Confident3 Ų357.7 Ų57.71%0.01432%0.321CS..Hα-helixtrans-77.4-21.6-172.6-70.7-65.3-38.200114.1Y14 S16 D17 R151 L245Y14-Q20 PolarHBondContact O-NE2 2.85Å; S16-Q20 WeakPolarHBondContact O-CB 3.4Å; S16-Q20 WeakPolarHBondContact O-CG 3.34Å; S16-Q20 PolarHBondContact O-N 3.22Å; D17-Q20 PolarHBondContact O-N 3.17Å; Q20-R151 WeakPolarHBondContact O-CB 3.42Å; Q20-R151 WeakPolarHBondContact O-CD 3.5Å; Q20-R151 PolarHBondContact O-NE 2.56Å; Q20-R151 VanDerWaalsContact OE1-CZ 3.25Å; Q20-L245 PolarHBondContact NE2-O 3.1Å; Q20-L245 VanDerWaalsContact NE2-O 3.08Å
21F97.1Very high90.2Very high13 Ų1357 Ų576%0.05731%0.305CS..  trans-133.7141.8-174.7-59.6-74.7000111.9D17 Y19 E23 R148 R151 Y155 Y157D17-F21 HydrophobicContact CB-CD2 4.23Å; D17-F21 PolarHBondContact O-N 2.82Å; Y19-F21 PolarHBondContact O-N 3.03Å; F21-E23 VanDerWaalsContact C-N 3.29Å; F21-R148 PolarHBondContact O-NH1 2.74Å; F21-R148 PolarHBondContact O-NH2 2.96Å; F21-R148 VanDerWaalsContact O-NH2 3.08Å; F21-R151 HydrophobicContact CD1-CB 3.8Å; F21-R151 HydrophobicContact CE1-CB 3.89Å; F21-R151 VanDerWaalsContact CZ-NH2 3.25Å; F21-Y155 HydrophobicContact CE1-CD1 4.37Å; F21-Y155 AromaticContact CE1-CD2 3.69Å; F21-Y155 HydrophobicContact CE1-CD2 3.69Å; F21-Y155 HydrophobicContact CE1-CE2 4.25Å; F21-Y155 AromaticContact CE1-CG 3.74Å; F21-Y155 HydrophobicContact CE1-CG 3.74Å; F21-Y155 HydrophobicContact CZ-CD1 4.25Å; F21-Y155 HydrophobicContact CZ-CD2 4.22Å; F21-Y155 HydrophobicContact CZ-CE2 4.49Å; F21-Y155 HydrophobicContact CZ-CG 4.07Å; F21-Y157 AromaticContact CD1-CD2 3.65Å; F21-Y157 HydrophobicContact CD1-CD2 3.65Å; F21-Y157 HydrophobicContact CD1-CE2 4.24Å; F21-Y157 HydrophobicContact CD2-CD2 4.09Å; F21-Y157 HydrophobicContact CD2-CE2 4.14Å; F21-Y157 AromaticContact CE1-CD2 3.72Å; F21-Y157 HydrophobicContact CE1-CD2 3.72Å; F21-Y157 AromaticContact CE1-CE2 3.92Å; F21-Y157 HydrophobicContact CE1-CE2 3.92Å; F21-Y157 HydrophobicContact CE2-CD2 4.15Å; F21-Y157 AromaticContact CE2-CE2 3.82Å; F21-Y157 HydrophobicContact CE2-CE2 3.82Å; F21-Y157 AromaticContact CG-CD2 3.84Å; F21-Y157 HydrophobicContact CG-CD2 3.84Å; F21-Y157 HydrophobicContact CG-CE2 4.34Å; F21-Y157 AromaticContact CZ-CD2 3.97Å; F21-Y157 HydrophobicContact CZ-CD2 3.97Å; F21-Y157 AromaticContact CZ-CE2 3.69Å; F21-Y157 HydrophobicContact CZ-CE2 3.69Å
22L95.2Very high92.1Very high20 Ų2048 Ų4811%0.10526%0.263CS..SBendtrans-60.5-44.5172.5-179.379.3000110.9R148 F149 S152 L158 D369 D373L22-R148 HydrophobicContact CB-CB 4.31Å; L22-R148 PolarHBondContact N-O 3.32Å; L22-F149 HydrophobicContact CD2-CD2 4.02Å; L22-S152 PolarHBondContact N-OG 3.07Å; L22-L158 HydrophobicContact CD2-CD1 3.96Å; L22-D369 HydrophobicContact CD2-CB 3.66Å; L22-D373 HydrophobicContact CD1-CB 3.45Å; L22-D373 VanDerWaalsContact CD1-CB 3.45Å
23E93.2Very high93.1Very high37 Ų3745.5 Ų45.517%0.17324%0.244CC..  trans-158.3165.2179.558.1-178.1-171.500109.7F21 S152 Y157 L158 K159 R365F21-E23 VanDerWaalsContact C-N 3.29Å; E23-S152 PolarHBondContact N-OG 3.07Å; E23-S152 PolarHBondContact O-OG 2.88Å; E23-Y157 WeakPolarHBondContact O-CB 3.23Å; E23-L158 HydrophobicContact CG-CD1 4.43Å; E23-L158 WeakPolarHBondContact OE1-CA 3.33Å; E23-L158 WeakPolarHBondContact OE1-CD1 3.49Å; E23-K159 WeakPolarHBondContact OE1-CB 3.49Å; E23-K159 WeakPolarHBondContact OE1-CG 3.38Å; E23-K159 PolarHBondContact OE1-N 3.31Å; E23-R365 IonicContact OE1-NH2 2.79Å; E23-R365 PolarHBondContact OE1-NH2 3.34Å
24R93.3Very high93.3Very high144 Ų14447.2 Ų47.254%0.54325%0.254SS..  trans-130.478.4174.5-168.8168.7178.9157.82.8110.3D17 Y157D17-R24 IonicContact OD1-NH1 3.73Å; D17-R24 IonicContact OD2-CZ 2.64Å; D17-R24 IonicContact OD2-NH1 3.63Å; D17-R24 PolarHBondContact OD2-NH1 3.45Å; R24-Y157 HydrophobicContact CB-CD2 4.29Å; R24-Y157 HydrophobicContact CB-CG 4.4Å; R24-Y157 HydrophobicContact CG-CD1 4.08Å; R24-Y157 HydrophobicContact CG-CD2 3.83Å; R24-Y157 HydrophobicContact CG-CE1 4.28Å; R24-Y157 HydrophobicContact CG-CE2 4.03Å; R24-Y157 HydrophobicContact CG-CG 3.88Å; R24-Y157 VanDerWaalsContact CZ-OH 3.26Å; R24-Y157 PolarHBondContact NH2-OH 3.29Å; R24-Y157 VanDerWaalsContact NH2-OH 3.08Å
25S92.5Very high93.3Very high18 Ų1847.3 Ų47.313%0.12626%0.261CS..  trans-56.6137.5178.71780000111.7I27 Y157S25-I27 WeakPolarHBondContact CB-O 3.49Å; S25-I27 PolarHBondContact O-N 3.31Å; S25-I27 PolarHBondContact OG-N 2.99Å; S25-I27 VanDerWaalsContact OG-N 3.1Å; S25-I27 PolarHBondContact OG-O 3.43Å; S25-Y157 WeakPolarHBondContact CB-O 3.46Å; S25-Y157 PolarHBondContact N-O 3.34Å
26I90.2Very high93.3Very high103 Ų10346.3 Ų46.353%0.52825%0.247SC..SBendtrans-71.8-20171.766.1176.3000112.4E176 K177I26-E176 HydrophobicContact CD1-CB 4.05Å; I26-E176 HydrophobicContact CG1-CB 4.48Å; I26-K177 HydrophobicContact CD1-CB 4.43Å
27I90.7Very high93.4Very high4 Ų448.1 Ų48.12%0.02126%0.258CS..SBendtrans-102120.6174.1-51.8178.6000107.4S25 T29 Y31 F32 P160 E176 L179S25-I27 WeakPolarHBondContact CB-O 3.49Å; S25-I27 PolarHBondContact O-N 3.31Å; S25-I27 PolarHBondContact OG-N 2.99Å; S25-I27 VanDerWaalsContact OG-N 3.1Å; S25-I27 PolarHBondContact OG-O 3.43Å; I27-T29 PolarHBondContact O-N 2.82Å; I27-Y31 HydrophobicContact CG2-CD1 3.62Å; I27-Y31 HydrophobicContact CG2-CD2 4.43Å; I27-Y31 HydrophobicContact CG2-CE1 4.39Å; I27-Y31 HydrophobicContact CG2-CG 3.65Å; I27-F32 HydrophobicContact CG2-CE2 4.24Å; I27-F32 HydrophobicContact CG2-CZ 4.48Å; I27-P160 HydrophobicContact CB-CG 4.1Å; I27-P160 HydrophobicContact CG2-CG 3.69Å; I27-E176 HydrophobicContact CD1-CB 4.32Å; I27-L179 HydrophobicContact CD1-CB 3.74Å; I27-L179 HydrophobicContact CD1-CD1 4.46Å
28P93.7Very high93.5Very high62 Ų6247.7 Ų47.740%0.40325%0.25SS..  trans-55.1140177.4-26.134000112.1M30 Y31 N156 P160P28-M30 PolarHBondContact O-N 3.09Å; P28-M30 VanDerWaalsContact O-N 3.09Å; P28-Y31 WeakPolarHBondContact O-CB 3.48Å; P28-Y31 PolarHBondContact O-N 3.5Å; P28-N156 WeakPolarHBondContact CA-O 3.45Å; P28-N156 HydrophobicContact CB-CB 4.27Å; P28-P160 WeakPolarHBondContact O-CG 3.47Å
29T95.1Very high93.8Very high1 Ų144.6 Ų44.61%0.00622%0.224CC..THydrogen-bonded Turntrans-48.4-44.4-176-49.60000113.5I27 Y31 L153 N156 L158 M196I27-T29 PolarHBondContact O-N 2.82Å; T29-Y31 PolarHBondContact O-N 3.24Å; T29-L153 HydrophobicContact CG2-CD1 4.12Å; T29-N156 PolarHBondContact N-O 2.93Å; T29-N156 WeakPolarHBondContact OG1-CA 3.36Å; T29-N156 PolarHBondContact OG1-O 2.99Å; T29-L158 VanDerWaalsContact CA-O 3.22Å; T29-L158 WeakPolarHBondContact CA-O 3.46Å; T29-L158 VanDerWaalsContact CB-O 3.27Å; T29-L158 WeakPolarHBondContact CB-O 3.41Å; T29-L158 HydrophobicContact CG2-CB 3.97Å; T29-L158 HydrophobicContact CG2-CD2 4.42Å; T29-L158 PolarHBondContact OG1-N 3.12Å; T29-L158 VanDerWaalsContact OG1-N 3.15Å; T29-L158 PolarHBondContact OG1-O 3.1Å; T29-M196 HydrophobicContact CG2-CE 3.58Å; T29-M196 HydrophobicContact CG2-SD 3.9Å
30M94.6Very high93.8Very high76 Ų7646.4 Ų46.437%0.37424%0.236SC..THydrogen-bonded Turntrans-91.511.4-176.5-58-59.4-87.200114.2P28 F32 Q33 M196P28-M30 PolarHBondContact O-N 3.09Å; P28-M30 VanDerWaalsContact O-N 3.09Å; M30-F32 VanDerWaalsContact C-N 3.32Å; M30-F32 PolarHBondContact O-N 2.65Å; M30-Q33 HydrophobicContact CB-CG 3.93Å; M30-Q33 HydrophobicContact CE-CG 3.74Å; M30-Q33 WeakPolarHBondContact O-CB 3.42Å; M30-Q33 VanDerWaalsContact O-CG 3.28Å; M30-Q33 WeakPolarHBondContact O-CG 3.42Å; M30-Q33 PolarHBondContact O-N 3.39Å; M30-Q33 VanDerWaalsContact O-N 3.09Å; M30-Q33 HydrophobicContact SD-CG 3.86Å; M30-M196 HydrophobicContact CE-CB 4.49Å; M30-M196 HydrophobicContact SD-CB 3.89Å
31Y92.6Very high93.9Very high79 Ų7947.4 Ų47.431%0.3124%0.242SC..THydrogen-bonded Turntrans-54.4-40.1-171.4-179.6-104.1000114.4I27 P28 T29 S180 W183I27-Y31 HydrophobicContact CG2-CD1 3.62Å; I27-Y31 HydrophobicContact CG2-CD2 4.43Å; I27-Y31 HydrophobicContact CG2-CE1 4.39Å; I27-Y31 HydrophobicContact CG2-CG 3.65Å; P28-Y31 WeakPolarHBondContact O-CB 3.48Å; P28-Y31 PolarHBondContact O-N 3.5Å; T29-Y31 PolarHBondContact O-N 3.24Å; Y31-S180 PolarHBondContact OH-O 3.01Å; Y31-W183 HydrophobicContact CE1-CB 3.69Å
32F92.2Very high93.9Very high4 Ų447.6 Ų47.62%0.01824%0.244CC..THydrogen-bonded Turntrans-86-10.1-177.2-61.1-70.9000114.4I27 M30 D34 C35 L36 P160 I162 L179 W183 P193I27-F32 HydrophobicContact CG2-CE2 4.24Å; I27-F32 HydrophobicContact CG2-CZ 4.48Å; M30-F32 VanDerWaalsContact C-N 3.32Å; M30-F32 PolarHBondContact O-N 2.65Å; F32-D34 VanDerWaalsContact C-N 3.3Å; F32-D34 PolarHBondContact O-N 3.03Å; F32-C35 PolarHBondContact O-N 3.37Å; F32-L36 PolarHBondContact O-N 3.43Å; F32-P160 HydrophobicContact CD2-CB 3.71Å; F32-P160 HydrophobicContact CD2-CG 4.15Å; F32-P160 HydrophobicContact CE2-CB 3.81Å; F32-P160 HydrophobicContact CE2-CG 3.97Å; F32-I162 HydrophobicContact CE2-CD1 3.79Å; F32-I162 HydrophobicContact CE2-CG1 4.31Å; F32-I162 HydrophobicContact CZ-CD1 4.3Å; F32-L179 HydrophobicContact CZ-CB 4.4Å; F32-L179 HydrophobicContact CZ-CD1 4.06Å; F32-W183 HydrophobicContact CD1-CB 4.05Å; F32-W183 HydrophobicContact CE1-CB 3.8Å; F32-P193 HydrophobicContact CB-CB 3.48Å; F32-P193 VanDerWaalsContact CB-CB 3.48Å; F32-P193 HydrophobicContact CB-CG 3.95Å; F32-P193 HydrophobicContact CD1-CB 4.16Å; F32-P193 HydrophobicContact CD1-CG 3.65Å; F32-P193 HydrophobicContact CD2-CB 3.76Å; F32-P193 HydrophobicContact CD2-CG 3.88Å; F32-P193 HydrophobicContact CE1-CG 4.1Å; F32-P193 HydrophobicContact CE2-CG 4.32Å; F32-P193 HydrophobicContact CG-CB 3.53Å; F32-P193 HydrophobicContact CG-CG 3.53Å; F32-P193 HydrophobicContact CZ-CG 4.43Å
33Q94Very high94.1Very high9 Ų954 Ų544%0.04227%0.271CS..THydrogen-bonded Turntrans-63.9-32.8-163.3-61.6-61.2-53.800113.1M30 C35 L194 K479M30-Q33 HydrophobicContact CB-CG 3.93Å; M30-Q33 HydrophobicContact CE-CG 3.74Å; M30-Q33 WeakPolarHBondContact O-CB 3.42Å; M30-Q33 VanDerWaalsContact O-CG 3.28Å; M30-Q33 WeakPolarHBondContact O-CG 3.42Å; M30-Q33 PolarHBondContact O-N 3.39Å; M30-Q33 VanDerWaalsContact O-N 3.09Å; M30-Q33 HydrophobicContact SD-CG 3.86Å; Q33-C35 VanDerWaalsContact C-N 3.34Å; Q33-L194 PolarHBondContact NE2-O 2.84Å; Q33-K479 VanDerWaalsContact O-CD 3.27Å; Q33-K479 WeakPolarHBondContact O-CD 3.33Å; Q33-K479 PolarHBondContact O-NZ 3.01Å
34D91.5Very high94.3Very high147 Ų14752.6 Ų52.679%0.78626%0.264SS*.THydrogen-bonded Turntrans-79.7-18.1178.8-68.3-25.2000113.5F32 K479F32-D34 VanDerWaalsContact C-N 3.3Å; F32-D34 PolarHBondContact O-N 3.03Å; D34-K479 IonicContact OD1-NZ 2.73Å
35C90.2Very high94.5Very high52 Ų5251.5 Ų51.535%0.35126%0.264SS..THydrogen-bonded Turntrans-102.60.4-178.6-58.40000113.4F32 Q33 W183F32-C35 PolarHBondContact O-N 3.37Å; Q33-C35 VanDerWaalsContact C-N 3.34Å; C35-W183 HydrophobicContact CB-CD2 3.96Å; C35-W183 HydrophobicContact CB-CE3 3.79Å; C35-W183 HydrophobicContact CB-CH2 3.66Å; C35-W183 HydrophobicContact CB-CZ2 3.82Å; C35-W183 HydrophobicContact CB-CZ3 3.64Å
36L92.7Very high94.8Very high16 Ų1654.1 Ų54.18%0.08428%0.276CS..PPolyproline II helixtrans-58.8137.3177.5-71.5175.2000111.1F32 P193 D195 K479F32-L36 PolarHBondContact O-N 3.43Å; L36-P193 HydrophobicContact CD2-CB 4.02Å; L36-P193 VanDerWaalsContact CD2-O 3.28Å; L36-P193 WeakPolarHBondContact CD2-O 3.29Å; L36-D195 HydrophobicContact CD1-CB 3.99Å; L36-K479 HydrophobicContact CB-CB 3.95Å; L36-K479 HydrophobicContact CB-CD 4.35Å; L36-K479 HydrophobicContact CD1-CD 4.43Å
37P94.1Very high95.2Very high72 Ų7249.3 Ų49.347%0.46825%0.252SS..PPolyproline II helixtrans-63.5147.7175.428.6-34.2000109.9A477 F478 K479P37-A477 WeakPolarHBondContact CD-O 3.43Å; P37-A477 VanDerWaalsContact CG-O 3.29Å; P37-A477 WeakPolarHBondContact CG-O 3.42Å; P37-F478 HydrophobicContact CB-CD1 4.03Å; P37-F478 HydrophobicContact CB-CE1 4.39Å; P37-F478 HydrophobicContact CG-CD1 3.82Å; P37-F478 HydrophobicContact CG-CE1 4.25Å; P37-F478 CarbonylContact O-C 3.47Å; P37-F478 WeakPolarHBondContact O-CA 3.22Å; P37-F478 WeakPolarHBondContact O-CB 3.32Å; P37-K479 PolarHBondContact O-N 3.38Å
38R95.9Very high95.5Very high68 Ų6849.7 Ų49.726%0.25726%0.255SS..BIsolated β-bridgetrans-75.3140177.9-57.4-178.466.5-142.3-7.1110.3P40 Y90 N93 K94 F478R38-P40 WeakPolarHBondContact O-CD 3.38Å; R38-Y90 HydrophobicContact CB-CE2 4.46Å; R38-Y90 WeakPolarHBondContact CB-OH 3.28Å; R38-Y90 VanDerWaalsContact CZ-CZ 3.42Å; R38-Y90 VanDerWaalsContact NH1-CE1 3.28Å; R38-Y90 PolarHBondContact NH1-O 3.39Å; R38-Y90 PolarHBondContact NH2-O 2.98Å; R38-N93 PolarHBondContact NH2-O 3.48Å; R38-K94 PolarHBondContact NE-O 3.24Å; R38-F478 WeakPolarHBondContact O-CD1 3.44Å
39L97.5Very high95.7Very high4 Ų450.5 Ų50.52%0.02125%0.253CS..PPolyproline II helixtrans-61.8117.4176.3-17671.2000109.4Y90 Y98 I99 T475 F478L39-Y90 VanDerWaalsContact O-CE2 3.22Å; L39-Y90 WeakPolarHBondContact O-CE2 3.45Å; L39-Y90 PolarHBondContact O-OH 2.98Å; L39-Y98 HydrophobicContact CD2-CD1 4.19Å; L39-Y98 HydrophobicContact CD2-CE1 3.78Å; L39-Y98 HydrophobicContact CG-CE1 4.13Å; L39-I99 HydrophobicContact CD2-CG2 3.57Å; L39-T475 HydrophobicContact CD1-CG2 4.15Å; L39-F478 HydrophobicContact CB-CB 3.82Å; L39-F478 HydrophobicContact CB-CG 4.21Å; L39-F478 HydrophobicContact CD1-CB 3.99Å; L39-F478 HydrophobicContact CD1-CD2 3.42Å; L39-F478 VanDerWaalsContact CD1-CD2 3.42Å; L39-F478 HydrophobicContact CD1-CE2 4.03Å; L39-F478 HydrophobicContact CD1-CG 3.79Å
40P97.4Very high95.8Very high43 Ų4352.2 Ų52.228%0.27926%0.262SS..PPolyproline II helixtrans-68.6149.2-176.328.7-35.5000111.4R38 F478 M532R38-P40 WeakPolarHBondContact O-CD 3.38Å; P40-F478 HydrophobicContact CG-CE1 4.44Å; P40-F478 HydrophobicContact CG-CZ 4.39Å; P40-M532 WeakPolarHBondContact CG-O 3.47Å
41I98.1Very high96Very high24 Ų2448.7 Ų48.712%0.12325%0.245CC..PPolyproline II helixtrans-92.2122.8164.8-64.3170.8000107.4L86 L87 Y90 Y98 H539I41-L86 HydrophobicContact CD1-CD2 4.18Å; I41-L86 HydrophobicContact CD1-CG 3.88Å; I41-L86 HydrophobicContact CG2-CD2 4.32Å; I41-L87 HydrophobicContact CB-CD2 4.3Å; I41-L87 HydrophobicContact CD1-CD2 4.09Å; I41-L87 HydrophobicContact CG2-CD2 4.4Å; I41-Y90 VanDerWaalsContact CD1-CB 3.49Å; I41-Y90 HydrophobicContact CD1-CD1 4.11Å; I41-Y90 HydrophobicContact CD1-CD2 3.81Å; I41-Y90 HydrophobicContact CD1-CG 3.55Å; I41-Y90 HydrophobicContact CG1-CD2 4.21Å; I41-Y90 HydrophobicContact CG1-CG 4.31Å; I41-Y98 HydrophobicContact CD1-CD1 4.27Å; I41-Y98 HydrophobicContact CD1-CG 4.2Å; I41-Y98 HydrophobicContact CG1-CD1 3.5Å; I41-Y98 HydrophobicContact CG1-CE1 3.9Å; I41-Y98 HydrophobicContact CG1-CG 3.87Å; I41-H539 WeakPolarHBondContact CG2-NE2 3.16Å
42P97.8Very high96.3Very high16 Ų1646 Ų4610%0.10424%0.236CC..PPolyproline II helixtrans-59.3153.4175.7-22.632000112.4L44 H83 G533 H539P42-L44 PolarHBondContact O-N 2.93Å; P42-H83 PolarHBondContact O-CE1 3.3Å; P42-H83 VanDerWaalsContact O-CE1 3.27Å; P42-G533 WeakPolarHBondContact CG-O 3.23Å; P42-H539 HydrophobicContact CG-CB 4.3Å; P42-H539 PolarHBondContact O-CE1 3.16Å
43K97.8Very high96.5Very high155 Ų15551.7 Ų51.767%0.67426%0.26SS*.PPolyproline II helixtrans-60.1136168.4-66.1-176.3179.4-178.20109.2K45 N46 T47K43-K45 VanDerWaalsContact C-N 3.26Å; K43-K45 PolarHBondContact O-N 3.39Å; K43-N46 HydrophobicContact CB-CB 4.4Å; K43-N46 PolarHBondContact O-N 3.43Å; K43-N46 VanDerWaalsContact O-N 3.1Å; K43-T47 PolarHBondContact O-N 3.06Å; K43-T47 PolarHBondContact O-OG1 3.3Å; K43-T47 VanDerWaalsContact O-OG1 3.09Å
44L98.2Very high96.7Very high7 Ų751.6 Ų51.64%0.03726%0.262CS..Hα-helixtrans-53.8-43.4178.7-17963.7000112.1P42 N46 T47 C48 F74 F75 G79 N80 H83 M543P42-L44 PolarHBondContact O-N 2.93Å; L44-N46 PolarHBondContact O-N 3.27Å; L44-T47 WeakPolarHBondContact O-CA 3.32Å; L44-T47 VanDerWaalsContact O-CB 3.32Å; L44-T47 WeakPolarHBondContact O-CB 3.36Å; L44-T47 PolarHBondContact O-N 3.37Å; L44-C48 PolarHBondContact O-N 2.88Å; L44-C48 PolarHBondContact O-SG 3.07Å; L44-F74 HydrophobicContact CD1-CE1 4.08Å; L44-F75 HydrophobicContact CB-CE2 4.37Å; L44-F75 HydrophobicContact CD2-CD2 3.92Å; L44-F75 HydrophobicContact CD2-CE2 4.13Å; L44-F75 HydrophobicContact CG-CD2 3.82Å; L44-F75 HydrophobicContact CG-CE2 4.01Å; L44-G79 VanDerWaalsContact CD2-C 3.45Å; L44-G79 WeakPolarHBondContact CD2-O 3.49Å; L44-N80 HydrophobicContact CD2-CB 4.48Å; L44-H83 HydrophobicContact CB-CB 4.32Å; L44-H83 HydrophobicContact CD1-CB 4.37Å; L44-H83 HydrophobicContact CD2-CB 4.14Å; L44-M543 HydrophobicContact CD1-CE 3.9Å; L44-M543 HydrophobicContact CD1-SD 4.01Å
45K98Very high97Very high122 Ų12244.6 Ų44.653%0.5322%0.224SC..Hα-helixtrans-54.8-50.1176.9-179.8174.3174.3174.70111.9K43 T47 C48 E49 F75K43-K45 VanDerWaalsContact C-N 3.26Å; K43-K45 PolarHBondContact O-N 3.39Å; K45-T47 VanDerWaalsContact C-N 3.26Å; K45-T47 PolarHBondContact O-N 2.89Å; K45-C48 PolarHBondContact O-N 3.47Å; K45-E49 WeakPolarHBondContact CE-OE1 3.33Å; K45-E49 WeakPolarHBondContact CG-OE1 3.42Å; K45-E49 IonicContact NZ-OE1 3.71Å; K45-E49 WeakPolarHBondContact O-CG 3.33Å; K45-E49 PolarHBondContact O-N 2.96Å; K45-F75 HydrophobicContact CB-CE2 3.81Å; K45-F75 HydrophobicContact CB-CZ 4.12Å
46N97.9Very high97.3Very high73 Ų7345.3 Ų45.339%0.3922%0.22SC..Hα-helixtrans-64.1-34.3178.7-62.813.7000111.7K43 L44 N50K43-N46 HydrophobicContact CB-CB 4.4Å; K43-N46 PolarHBondContact O-N 3.43Å; K43-N46 VanDerWaalsContact O-N 3.1Å; L44-N46 PolarHBondContact O-N 3.27Å; N46-N50 WeakPolarHBondContact O-CB 3.49Å; N46-N50 PolarHBondContact O-N 3.43Å; N46-N50 PolarHBondContact O-ND2 2.84Å
47T98.3Very high97.5Very high2 Ų245 Ų451%0.01222%0.219CC..Hα-helixtrans-64.7-48.6177.2-56.70000110.7K43 L44 K45 N50 Y51 F536 H539 M540K43-T47 PolarHBondContact O-N 3.06Å; K43-T47 PolarHBondContact O-OG1 3.3Å; K43-T47 VanDerWaalsContact O-OG1 3.09Å; L44-T47 WeakPolarHBondContact O-CA 3.32Å; L44-T47 VanDerWaalsContact O-CB 3.32Å; L44-T47 WeakPolarHBondContact O-CB 3.36Å; L44-T47 PolarHBondContact O-N 3.37Å; K45-T47 VanDerWaalsContact C-N 3.26Å; K45-T47 PolarHBondContact O-N 2.89Å; T47-N50 PolarHBondContact O-N 2.86Å; T47-Y51 VanDerWaalsContact O-CB 3.31Å; T47-Y51 WeakPolarHBondContact O-CB 3.29Å; T47-Y51 PolarHBondContact O-N 3.49Å; T47-F536 HydrophobicContact CG2-CB 3.92Å; T47-H539 HydrophobicContact CG2-CB 4.17Å; T47-H539 PolarHBondContact OG1-ND1 3.49Å; T47-M540 HydrophobicContact CG2-CG 3.73Å
48C98.3Very high97.6Very high12 Ų1243.2 Ų43.28%0.08120%0.204CC..Hα-helixtrans-62.2-45.1176.6-66.60000112.1L44 K45 N50 Y51 L52 T71 F75L44-C48 PolarHBondContact O-N 2.88Å; L44-C48 PolarHBondContact O-SG 3.07Å; K45-C48 PolarHBondContact O-N 3.47Å; C48-N50 PolarHBondContact O-N 3.19Å; C48-Y51 PolarHBondContact O-N 3.26Å; C48-L52 WeakPolarHBondContact O-CG 3.36Å; C48-L52 PolarHBondContact O-N 2.95Å; C48-L52 VanDerWaalsContact O-N 3.09Å; C48-T71 HydrophobicContact CB-CG2 3.57Å; C48-F75 HydrophobicContact CB-CD2 4.5Å
49E98Very high97.6Very high79 Ų7940.5 Ų40.537%0.36919%0.194SC..Hα-helixtrans-62.9-41.4176.7-72.4173.9-174.900112.3K45 K53K45-E49 WeakPolarHBondContact CE-OE1 3.33Å; K45-E49 WeakPolarHBondContact CG-OE1 3.42Å; K45-E49 IonicContact NZ-OE1 3.71Å; K45-E49 WeakPolarHBondContact O-CG 3.33Å; K45-E49 PolarHBondContact O-N 2.96Å; E49-K53 VanDerWaalsContact O-CG 3.28Å; E49-K53 WeakPolarHBondContact O-CG 3.23Å; E49-K53 PolarHBondContact O-N 3.26Å
50N97.7Very high97.5Very high37 Ų3743.5 Ų43.520%0.19821%0.213CC..Hα-helixtrans-72.8-35.6179.1-73.6-11.1000112.2N46 T47 C48 K53 G54 F536N46-N50 WeakPolarHBondContact O-CB 3.49Å; N46-N50 PolarHBondContact O-N 3.43Å; N46-N50 PolarHBondContact O-ND2 2.84Å; T47-N50 PolarHBondContact O-N 2.86Å; C48-N50 PolarHBondContact O-N 3.19Å; N50-K53 PolarHBondContact O-N 3.35Å; N50-G54 PolarHBondContact O-N 3.4Å; N50-F536 HydrophobicContact CB-CB 4.2Å; N50-F536 HydrophobicContact CB-CD1 3.97Å; N50-F536 HydrophobicContact CB-CG 4.44Å
51Y98.2Very high97.5Very high2 Ų245.5 Ų45.51%0.00822%0.221CC..Hα-helixtrans-56.7-54.1171.3169.8-110.2000110.5T47 C48 K53 G54 V55 T71 F536 M540 L557 Y563 A566T47-Y51 VanDerWaalsContact O-CB 3.31Å; T47-Y51 WeakPolarHBondContact O-CB 3.29Å; T47-Y51 PolarHBondContact O-N 3.49Å; C48-Y51 PolarHBondContact O-N 3.26Å; Y51-K53 VanDerWaalsContact C-N 3.33Å; Y51-K53 PolarHBondContact O-N 3.06Å; Y51-G54 WeakPolarHBondContact O-CA 3.34Å; Y51-G54 PolarHBondContact O-N 3.33Å; Y51-V55 HydrophobicContact CD2-CG1 3.89Å; Y51-V55 HydrophobicContact CE2-CG1 3.49Å; Y51-V55 VanDerWaalsContact CE2-CG1 3.49Å; Y51-V55 WeakPolarHBondContact O-CG2 3.41Å; Y51-V55 PolarHBondContact O-N 3Å; Y51-T71 HydrophobicContact CD1-CG2 4.35Å; Y51-T71 WeakPolarHBondContact CD1-OG1 3.41Å; Y51-T71 WeakPolarHBondContact CE1-OG1 3.46Å; Y51-F536 HydrophobicContact CD2-CD2 4.03Å; Y51-F536 AromaticContact CD2-CE2 3.82Å; Y51-F536 HydrophobicContact CD2-CE2 3.82Å; Y51-M540 HydrophobicContact CD1-CE 4.18Å; Y51-M540 HydrophobicContact CD1-SD 4.47Å; Y51-M540 HydrophobicContact CD2-CE 3.81Å; Y51-M540 HydrophobicContact CD2-SD 3.45Å; Y51-M540 WeakPolarHBondContact CD2-SD 3.38Å; Y51-M540 HydrophobicContact CE1-CE 4.4Å; Y51-M540 HydrophobicContact CE2-CE 4.03Å; Y51-M540 HydrophobicContact CE2-SD 4.17Å; Y51-M540 HydrophobicContact CG-CE 3.89Å; Y51-M540 HydrophobicContact CG-SD 3.62Å; Y51-L557 HydrophobicContact CE1-CD1 3.95Å; Y51-Y563 AromaticContact CE2-CD2 3.95Å; Y51-Y563 HydrophobicContact CE2-CD2 3.95Å; Y51-Y563 HydrophobicContact CE2-CE2 4.43Å; Y51-A566 HydrophobicContact CE2-CB 4.33Å
52L98.3Very high97.4Very high23 Ų2350.6 Ų50.612%0.1224%0.244CC..Hα-helixtrans-59.5-42.3178.6-68.3175.7000112.1C48 G54 V55 R56 Y64 A67 E68 T71C48-L52 WeakPolarHBondContact O-CG 3.36Å; C48-L52 PolarHBondContact O-N 2.95Å; C48-L52 VanDerWaalsContact O-N 3.09Å; L52-G54 VanDerWaalsContact C-N 3.3Å; L52-G54 PolarHBondContact O-N 3.21Å; L52-V55 PolarHBondContact O-N 3.17Å; L52-R56 WeakPolarHBondContact O-CB 3.43Å; L52-R56 PolarHBondContact O-N 2.99Å; L52-Y64 HydrophobicContact CB-CE2 4.21Å; L52-Y64 HydrophobicContact CD2-CE2 4.27Å; L52-Y64 WeakPolarHBondContact O-CE2 3.31Å; L52-A67 HydrophobicContact CD2-CB 4.41Å; L52-E68 HydrophobicContact CD1-CG 4.29Å; L52-E68 HydrophobicContact CD2-CB 4.31Å; L52-T71 HydrophobicContact CD1-CG2 4.12Å; L52-T71 HydrophobicContact CD2-CG2 4.45Å; L52-T71 HydrophobicContact CG-CG2 4.14Å
53K97.5Very high97.4Very high122 Ų12252.9 Ų52.953%0.5325%0.254SS..Hα-helixtrans-61.3-37.8173.4-73.8170.1-172.6167.30112.8E49 N50 Y51 P57E49-K53 VanDerWaalsContact O-CG 3.28Å; E49-K53 WeakPolarHBondContact O-CG 3.23Å; E49-K53 PolarHBondContact O-N 3.26Å; N50-K53 PolarHBondContact O-N 3.35Å; Y51-K53 VanDerWaalsContact C-N 3.33Å; Y51-K53 PolarHBondContact O-N 3.06Å; K53-P57 WeakPolarHBondContact O-CD 3.36Å
54G97.4Very high97.4Very high7 Ų747.3 Ų47.37%0.07223%0.229CC..Hα-helixtrans-74.2-31.6-178.400000113.8N50 Y51 L52 P57 F58N50-G54 PolarHBondContact O-N 3.4Å; Y51-G54 WeakPolarHBondContact O-CA 3.34Å; Y51-G54 PolarHBondContact O-N 3.33Å; L52-G54 VanDerWaalsContact C-N 3.3Å; L52-G54 PolarHBondContact O-N 3.21Å; G54-P57 WeakPolarHBondContact O-CD 3.44Å; G54-F58 WeakPolarHBondContact O-CE1 3.41Å
55V97.3Very high97.4Very high0 Ų053.3 Ų53.30%026%0.256CS..Hα-helixtrans-91.5-28.8-179.6-56.50000114.1Y51 L52 P57 F58 L59 A566Y51-V55 HydrophobicContact CD2-CG1 3.89Å; Y51-V55 HydrophobicContact CE2-CG1 3.49Å; Y51-V55 VanDerWaalsContact CE2-CG1 3.49Å; Y51-V55 WeakPolarHBondContact O-CG2 3.41Å; Y51-V55 PolarHBondContact O-N 3Å; L52-V55 PolarHBondContact O-N 3.17Å; V55-P57 VanDerWaalsContact C-N 3.26Å; V55-P57 WeakPolarHBondContact O-CD 3.47Å; V55-P57 VanDerWaalsContact O-N 3.07Å; V55-F58 HydrophobicContact CB-CE2 4.05Å; V55-F58 HydrophobicContact CB-CZ 3.9Å; V55-F58 HydrophobicContact CG1-CE2 4.3Å; V55-F58 HydrophobicContact CG1-CZ 3.91Å; V55-F58 PolarHBondContact O-N 2.62Å; V55-F58 VanDerWaalsContact O-N 3.13Å; V55-L59 HydrophobicContact CB-CD1 3.8Å; V55-L59 HydrophobicContact CB-CG 4.15Å; V55-L59 HydrophobicContact CG2-CD1 3.64Å; V55-L59 HydrophobicContact CG2-CG 4.44Å; V55-L59 WeakPolarHBondContact O-CG 3.38Å; V55-L59 PolarHBondContact O-N 3.16Å; V55-A566 HydrophobicContact CG1-CB 3.63Å
56R97.5Very high97.4Very high67 Ų6750.7 Ų50.725%0.25325%0.251SS..THydrogen-bonded Turntrans-48.9-35.8179.3-175.852-175.5147.2-7.4115.5L52 F58 L59 D61 Y64 K491L52-R56 WeakPolarHBondContact O-CB 3.43Å; L52-R56 PolarHBondContact O-N 2.99Å; R56-F58 VanDerWaalsContact C-N 3.26Å; R56-F58 PolarHBondContact O-N 3.38Å; R56-L59 PolarHBondContact NH1-O 3.05Å; R56-D61 IonicContact CZ-OD1 2.89Å; R56-D61 IonicContact NH1-OD1 3.14Å; R56-D61 PolarHBondContact NH1-OD1 3.14Å; R56-D61 IonicContact NH2-OD1 3.44Å; R56-D61 PolarHBondContact NH2-OD1 3.16Å; R56-Y64 HydrophobicContact CB-CD2 3.81Å; R56-Y64 HydrophobicContact CB-CE2 3.59Å; R56-Y64 HydrophobicContact CG-CD2 4.09Å; R56-Y64 HydrophobicContact CG-CE2 3.99Å; R56-K491 HydrophobicContact CG-CD 4.44Å; R56-K491 HydrophobicContact CG-CG 4.4Å
57P96.6Very high97.4Very high11 Ų1147.2 Ų47.27%0.07123%0.232CC..THydrogen-bonded Turntrans-62.3-27.7-178.5-27.439.6000114.4K53 G54 V55 T466 A489 T490 N494K53-P57 WeakPolarHBondContact O-CD 3.36Å; G54-P57 WeakPolarHBondContact O-CD 3.44Å; V55-P57 VanDerWaalsContact C-N 3.26Å; V55-P57 WeakPolarHBondContact O-CD 3.47Å; V55-P57 VanDerWaalsContact O-N 3.07Å; P57-T466 HydrophobicContact CB-CG2 4.5Å; P57-A489 HydrophobicContact CB-CB 4.35Å; P57-A489 WeakPolarHBondContact CG-O 3.5Å; P57-T490 VanDerWaalsContact CG-C 3.43Å; P57-N494 VanDerWaalsContact C-ND2 3.33Å; P57-N494 VanDerWaalsContact CA-ND2 3.27Å; P57-N494 WeakPolarHBondContact CA-ND2 3.48Å; P57-N494 VanDerWaalsContact CB-ND2 3.29Å; P57-N494 WeakPolarHBondContact CB-ND2 3.08Å; P57-N494 PolarHBondContact O-ND2 2.84Å
58F94.7Very high97.4Very high34 Ų3451.6 Ų51.615%0.14925%0.252CS..THydrogen-bonded Turntrans-120.7-1.9-174.453.7-102.7000113.9G54 V55 R56 T466 A468 A566G54-F58 WeakPolarHBondContact O-CE1 3.41Å; V55-F58 HydrophobicContact CB-CE2 4.05Å; V55-F58 HydrophobicContact CB-CZ 3.9Å; V55-F58 HydrophobicContact CG1-CE2 4.3Å; V55-F58 HydrophobicContact CG1-CZ 3.91Å; V55-F58 PolarHBondContact O-N 2.62Å; V55-F58 VanDerWaalsContact O-N 3.13Å; R56-F58 VanDerWaalsContact C-N 3.26Å; R56-F58 PolarHBondContact O-N 3.38Å; F58-T466 HydrophobicContact CB-CG2 4.39Å; F58-T466 WeakPolarHBondContact CB-O 3.44Å; F58-A468 HydrophobicContact CD1-CB 4.37Å; F58-A468 HydrophobicContact CE1-CB 4.07Å; F58-A468 HydrophobicContact CE2-CB 4.22Å; F58-A468 HydrophobicContact CZ-CB 3.97Å; F58-A566 HydrophobicContact CE2-CB 4.27Å; F58-A566 HydrophobicContact CZ-CB 4.16Å
59L96.5Very high97.3Very high10 Ų1052.7 Ų52.75%0.05227%0.266CS..SBendtrans-91.6140.7171.3-63.7-173.8000111.3V55 R56 Q63 A67 T562 L565V55-L59 HydrophobicContact CB-CD1 3.8Å; V55-L59 HydrophobicContact CB-CG 4.15Å; V55-L59 HydrophobicContact CG2-CD1 3.64Å; V55-L59 HydrophobicContact CG2-CG 4.44Å; V55-L59 WeakPolarHBondContact O-CG 3.38Å; V55-L59 PolarHBondContact O-N 3.16Å; R56-L59 PolarHBondContact NH1-O 3.05Å; L59-Q63 HydrophobicContact CB-CB 4.02Å; L59-Q63 HydrophobicContact CD1-CB 4.47Å; L59-Q63 HydrophobicContact CD2-CB 4.13Å; L59-Q63 HydrophobicContact CG-CB 4.42Å; L59-A67 HydrophobicContact CD1-CB 4.01Å; L59-T562 HydrophobicContact CD1-CG2 4.33Å; L59-L565 HydrophobicContact CD2-CD1 4.35Å
60T95.7Very high97.3Very high68 Ų6851.3 Ų51.342%0.41726%0.26SS..  trans-60.8167.1163.957.70000111.1E62 Q63 Y64T60-E62 VanDerWaalsContact C-N 3.31Å; T60-E62 PolarHBondContact O-N 3.44Å; T60-Q63 PolarHBondContact O-N 2.96Å; T60-Q63 VanDerWaalsContact OG1-CB 3.3Å; T60-Q63 WeakPolarHBondContact OG1-CB 3.26Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.27Å; T60-Q63 PolarHBondContact OG1-N 3.27Å; T60-Q63 PolarHBondContact OG1-OE1 3.41Å; T60-Y64 VanDerWaalsContact O-CB 3.25Å; T60-Y64 WeakPolarHBondContact O-CB 3.45Å; T60-Y64 PolarHBondContact O-N 2.99Å
61D96.9Very high97.3Very high85 Ų8549.8 Ų49.846%0.45525%0.252SS..Hα-helixtrans-64.6-39.4-179.9-72.4-0000111R56 Y64 Q65R56-D61 IonicContact CZ-OD1 2.89Å; R56-D61 IonicContact NH1-OD1 3.14Å; R56-D61 PolarHBondContact NH1-OD1 3.14Å; R56-D61 IonicContact NH2-OD1 3.44Å; R56-D61 PolarHBondContact NH2-OD1 3.16Å; D61-Y64 PolarHBondContact O-N 3.4Å; D61-Q65 WeakPolarHBondContact O-CG 3.36Å; D61-Q65 PolarHBondContact O-N 3.27Å
62E97.3Very high97.3Very high130 Ų13052.2 Ų52.261%0.60727%0.273SS*.Hα-helixtrans-64.5-49.4176.8-61.171.7-156.200111T60 Y64 Q65 V66T60-E62 VanDerWaalsContact C-N 3.31Å; T60-E62 PolarHBondContact O-N 3.44Å; E62-Y64 VanDerWaalsContact C-N 3.3Å; E62-Y64 PolarHBondContact O-N 3.26Å; E62-Q65 PolarHBondContact O-N 3.21Å; E62-V66 WeakPolarHBondContact O-CG2 3.42Å; E62-V66 PolarHBondContact O-N 2.86Å; E62-V66 VanDerWaalsContact O-N 3.14Å
63Q97.3Very high97.3Very high64 Ų6456.5 Ų56.530%0.29930%0.296SS..Hα-helixtrans-61.8-39.4175.9-73.7166.9-31.900111.6L59 T60 V66 A67 T562L59-Q63 HydrophobicContact CB-CB 4.02Å; L59-Q63 HydrophobicContact CD1-CB 4.47Å; L59-Q63 HydrophobicContact CD2-CB 4.13Å; L59-Q63 HydrophobicContact CG-CB 4.42Å; T60-Q63 PolarHBondContact O-N 2.96Å; T60-Q63 VanDerWaalsContact OG1-CB 3.3Å; T60-Q63 WeakPolarHBondContact OG1-CB 3.26Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.27Å; T60-Q63 PolarHBondContact OG1-N 3.27Å; T60-Q63 PolarHBondContact OG1-OE1 3.41Å; Q63-V66 PolarHBondContact O-N 3.49Å; Q63-A67 WeakPolarHBondContact O-CB 3.24Å; Q63-A67 PolarHBondContact O-N 2.97Å; Q63-T562 HydrophobicContact CB-CG2 4.07Å; Q63-T562 WeakPolarHBondContact O-CG2 3.21Å
64Y97.9Very high97.3Very high39 Ų3951.1 Ų51.115%0.15327%0.272CS..Hα-helixtrans-66.2-40178.9-177.2-94.5000111.9L52 R56 T60 D61 E62 V66 A67 E68L52-Y64 HydrophobicContact CB-CE2 4.21Å; L52-Y64 HydrophobicContact CD2-CE2 4.27Å; L52-Y64 WeakPolarHBondContact O-CE2 3.31Å; R56-Y64 HydrophobicContact CB-CD2 3.81Å; R56-Y64 HydrophobicContact CB-CE2 3.59Å; R56-Y64 HydrophobicContact CG-CD2 4.09Å; R56-Y64 HydrophobicContact CG-CE2 3.99Å; T60-Y64 VanDerWaalsContact O-CB 3.25Å; T60-Y64 WeakPolarHBondContact O-CB 3.45Å; T60-Y64 PolarHBondContact O-N 2.99Å; D61-Y64 PolarHBondContact O-N 3.4Å; E62-Y64 VanDerWaalsContact C-N 3.3Å; E62-Y64 PolarHBondContact O-N 3.26Å; Y64-V66 VanDerWaalsContact C-N 3.33Å; Y64-V66 PolarHBondContact O-N 2.78Å; Y64-A67 PolarHBondContact O-N 3.19Å; Y64-E68 HydrophobicContact CE1-CB 4.43Å; Y64-E68 VanDerWaalsContact O-CB 3.31Å; Y64-E68 WeakPolarHBondContact O-CB 3.47Å; Y64-E68 PolarHBondContact O-N 2.93Å
65Q98Very high97.3Very high132 Ų13254.3 Ų54.362%0.61728%0.284SS*.Hα-helixtrans-60.8-42174.3-74.2173.811.700111.8D61 E62 E68 G69D61-Q65 WeakPolarHBondContact O-CG 3.36Å; D61-Q65 PolarHBondContact O-N 3.27Å; E62-Q65 PolarHBondContact O-N 3.21Å; Q65-E68 PolarHBondContact O-N 3.34Å; Q65-G69 PolarHBondContact O-N 3.45Å
66V97.5Very high97.2Very high67 Ų6762.6 Ų62.641%0.40632%0.32SS..Hα-helixtrans-60.9-50.4173.9174.40000110.7E62 Q63 Y64 E68 G69 M70E62-V66 WeakPolarHBondContact O-CG2 3.42Å; E62-V66 PolarHBondContact O-N 2.86Å; E62-V66 VanDerWaalsContact O-N 3.14Å; Q63-V66 PolarHBondContact O-N 3.49Å; Y64-V66 VanDerWaalsContact C-N 3.33Å; Y64-V66 PolarHBondContact O-N 2.78Å; V66-E68 VanDerWaalsContact C-N 3.3Å; V66-E68 PolarHBondContact O-N 2.92Å; V66-G69 PolarHBondContact O-N 3.24Å; V66-M70 HydrophobicContact CG1-CE 3.9Å; V66-M70 HydrophobicContact CG1-CG 4.45Å; V66-M70 HydrophobicContact CG1-SD 4.3Å; V66-M70 WeakPolarHBondContact O-CG 3.33Å; V66-M70 PolarHBondContact O-N 2.91Å
67A97.6Very high96.9Very high0 Ų065.2 Ų65.20%034%0.339CS..Hα-helixtrans-59.9-39.6178.700000112.1L52 L59 Q63 Y64 T71 T562L52-A67 HydrophobicContact CD2-CB 4.41Å; L59-A67 HydrophobicContact CD1-CB 4.01Å; Q63-A67 WeakPolarHBondContact O-CB 3.24Å; Q63-A67 PolarHBondContact O-N 2.97Å; Y64-A67 PolarHBondContact O-N 3.19Å; A67-T71 WeakPolarHBondContact O-CB 3.41Å; A67-T71 PolarHBondContact O-N 3.25Å; A67-T71 PolarHBondContact O-OG1 3.34Å; A67-T562 HydrophobicContact CB-CG2 4.26Å
68E98.1Very high96.9Very high94 Ų9465.5 Ų65.544%0.43934%0.342SS..Hα-helixtrans-64.4-48.2176.9-174.2170.2-108.400111.5L52 Y64 Q65 V66 T71 A72L52-E68 HydrophobicContact CD1-CG 4.29Å; L52-E68 HydrophobicContact CD2-CB 4.31Å; Y64-E68 HydrophobicContact CE1-CB 4.43Å; Y64-E68 VanDerWaalsContact O-CB 3.31Å; Y64-E68 WeakPolarHBondContact O-CB 3.47Å; Y64-E68 PolarHBondContact O-N 2.93Å; Q65-E68 PolarHBondContact O-N 3.34Å; V66-E68 VanDerWaalsContact C-N 3.3Å; V66-E68 PolarHBondContact O-N 2.92Å; E68-T71 PolarHBondContact O-N 2.73Å; E68-A72 WeakPolarHBondContact O-CB 3.31Å; E68-A72 PolarHBondContact O-N 3.3Å
69G97.9Very high97Very high35 Ų3563.9 Ų63.936%0.36134%0.335SS..Hα-helixtrans-60.4-46.7176.100000112.7Q65 V66 T71 A72 N73Q65-G69 PolarHBondContact O-N 3.45Å; V66-G69 PolarHBondContact O-N 3.24Å; G69-T71 PolarHBondContact O-N 3.42Å; G69-A72 PolarHBondContact O-N 2.85Å; G69-N73 PolarHBondContact O-N 3.4Å; G69-N73 PolarHBondContact O-ND2 3.29Å
70M97.5Very high96.9Very high51 Ų5165.9 Ų65.925%0.25135%0.346SS..Hα-helixtrans-65.7-38.5176.9-70.1-167.117900112.5V66 N73 F74 L557 D560V66-M70 HydrophobicContact CG1-CE 3.9Å; V66-M70 HydrophobicContact CG1-CG 4.45Å; V66-M70 HydrophobicContact CG1-SD 4.3Å; V66-M70 WeakPolarHBondContact O-CG 3.33Å; V66-M70 PolarHBondContact O-N 2.91Å; M70-N73 PolarHBondContact O-N 2.85Å; M70-F74 VanDerWaalsContact O-CB 3.27Å; M70-F74 WeakPolarHBondContact O-CB 3.45Å; M70-F74 PolarHBondContact O-N 2.68Å; M70-L557 HydrophobicContact CB-CB 4.5Å; M70-L557 HydrophobicContact CB-CD1 4.04Å; M70-D560 HydrophobicContact CE-CB 3.9Å; M70-D560 WeakPolarHBondContact CE-OD1 3.28Å; M70-D560 HydrophobicContact SD-CB 3.4Å; M70-D560 WeakPolarHBondContact SD-CB 3.48Å
71T98.2Very high96.9Very high4 Ų467.1 Ų67.13%0.02534%0.343CS..Hα-helixtrans-66.1-39.2176.2-60.80000111.3C48 Y51 L52 A67 E68 G69 F74 F75C48-T71 HydrophobicContact CB-CG2 3.57Å; Y51-T71 HydrophobicContact CD1-CG2 4.35Å; Y51-T71 WeakPolarHBondContact CD1-OG1 3.41Å; Y51-T71 WeakPolarHBondContact CE1-OG1 3.46Å; L52-T71 HydrophobicContact CD1-CG2 4.12Å; L52-T71 HydrophobicContact CD2-CG2 4.45Å; L52-T71 HydrophobicContact CG-CG2 4.14Å; A67-T71 WeakPolarHBondContact O-CB 3.41Å; A67-T71 PolarHBondContact O-N 3.25Å; A67-T71 PolarHBondContact O-OG1 3.34Å; E68-T71 PolarHBondContact O-N 2.73Å; G69-T71 PolarHBondContact O-N 3.42Å; T71-F74 PolarHBondContact O-N 2.85Å; T71-F75 VanDerWaalsContact O-CB 3.28Å; T71-F75 WeakPolarHBondContact O-CB 3.45Å; T71-F75 PolarHBondContact O-N 3.42Å
72A97.9Very high96.9Very high54 Ų5463 Ų6345%0.44632%0.321SS..Hα-helixtrans-64.4-44.5175.100000111.7E68 G69 F75 K76E68-A72 WeakPolarHBondContact O-CB 3.31Å; E68-A72 PolarHBondContact O-N 3.3Å; G69-A72 PolarHBondContact O-N 2.85Å; A72-F75 PolarHBondContact O-N 3.33Å; A72-K76 WeakPolarHBondContact O-CB 3.46Å; A72-K76 PolarHBondContact O-N 2.66Å
73N97.1Very high96.9Very high113 Ų11358 Ų5860%0.60430%0.298SS*.Hα-helixtrans-62.6-46.3175-73.4-20.4000111.7G69 M70 F75 K76 D77G69-N73 PolarHBondContact O-N 3.4Å; G69-N73 PolarHBondContact O-ND2 3.29Å; M70-N73 PolarHBondContact O-N 2.85Å; N73-F75 PolarHBondContact O-N 3.04Å; N73-K76 PolarHBondContact O-N 3.48Å; N73-D77 PolarHBondContact O-N 2.99Å
74F97.8Very high96.9Very high8 Ų863 Ų634%0.03531%0.314CS..Hα-helixtrans-58.6-46.6174.7176.4-102.7000111.5L44 M70 T71 K76 D77 A78 G79 L82 M543 P555 L557 F558L44-F74 HydrophobicContact CD1-CE1 4.08Å; M70-F74 VanDerWaalsContact O-CB 3.27Å; M70-F74 WeakPolarHBondContact O-CB 3.45Å; M70-F74 PolarHBondContact O-N 2.68Å; T71-F74 PolarHBondContact O-N 2.85Å; F74-K76 VanDerWaalsContact C-N 3.31Å; F74-K76 PolarHBondContact O-N 3.11Å; F74-D77 PolarHBondContact O-N 3.13Å; F74-A78 HydrophobicContact CD2-CB 4.37Å; F74-G79 VanDerWaalsContact CE2-CA 3.47Å; F74-G79 WeakPolarHBondContact O-CA 3.22Å; F74-G79 PolarHBondContact O-N 3.27Å; F74-L82 HydrophobicContact CE2-CD1 4.18Å; F74-M543 HydrophobicContact CE1-CE 3.95Å; F74-M543 HydrophobicContact CE1-SD 4.43Å; F74-M543 HydrophobicContact CZ-CE 3.87Å; F74-M543 HydrophobicContact CZ-SD 4.02Å; F74-P555 HydrophobicContact CD2-CB 3.86Å; F74-P555 HydrophobicContact CD2-CG 4.28Å; F74-P555 HydrophobicContact CE2-CB 4.06Å; F74-P555 HydrophobicContact CE2-CG 4.04Å; F74-L557 HydrophobicContact CB-CB 4.26Å; F74-L557 HydrophobicContact CB-CD2 3.79Å; F74-L557 HydrophobicContact CD1-CD2 3.73Å; F74-L557 HydrophobicContact CD2-CD2 4.2Å; F74-L557 HydrophobicContact CE1-CD2 4.36Å; F74-L557 HydrophobicContact CG-CB 4.49Å; F74-L557 HydrophobicContact CG-CD2 3.64Å; F74-F558 AromaticContact CE2-CE2 3.71Å; F74-F558 HydrophobicContact CE2-CE2 3.71Å; F74-F558 AromaticContact CE2-CZ 3.78Å; F74-F558 HydrophobicContact CE2-CZ 3.78Å; F74-F558 HydrophobicContact CZ-CE2 4.05Å; F74-F558 AromaticContact CZ-CZ 3.67Å; F74-F558 HydrophobicContact CZ-CZ 3.67Å
75F97.6Very high96.8Very high75 Ų7562.8 Ų62.833%0.32931%0.314SS..Hα-helixtrans-59.6-41.7178.3-179.6-99.7000111.9L44 K45 C48 T71 A72 N73 N80L44-F75 HydrophobicContact CB-CE2 4.37Å; L44-F75 HydrophobicContact CD2-CD2 3.92Å; L44-F75 HydrophobicContact CD2-CE2 4.13Å; L44-F75 HydrophobicContact CG-CD2 3.82Å; L44-F75 HydrophobicContact CG-CE2 4.01Å; K45-F75 HydrophobicContact CB-CE2 3.81Å; K45-F75 HydrophobicContact CB-CZ 4.12Å; C48-F75 HydrophobicContact CB-CD2 4.5Å; T71-F75 VanDerWaalsContact O-CB 3.28Å; T71-F75 WeakPolarHBondContact O-CB 3.45Å; T71-F75 PolarHBondContact O-N 3.42Å; A72-F75 PolarHBondContact O-N 3.33Å; N73-F75 PolarHBondContact O-N 3.04Å; F75-N80 VanDerWaalsContact O-CG 3.31Å; F75-N80 PolarHBondContact O-ND2 3.15Å
76K95.2Very high96.8Very high173 Ų17357 Ų5775%0.75229%0.287SS*.Hα-helixtrans-69.7-42.5-178.8-175.1177.3175.3-176.20112.4A72 N73 F74 N80A72-K76 WeakPolarHBondContact O-CB 3.46Å; A72-K76 PolarHBondContact O-N 2.66Å; N73-K76 PolarHBondContact O-N 3.48Å; F74-K76 VanDerWaalsContact C-N 3.31Å; F74-K76 PolarHBondContact O-N 3.11Å; K76-N80 PolarHBondContact O-ND2 3.25Å
77D92.7Very high96.8Very high123 Ų12356 Ų5666%0.65828%0.28SS*.THydrogen-bonded Turntrans-111.9-101.4-170.1-175.740.1000112.8N73 F74 G79 N80 R81N73-D77 PolarHBondContact O-N 2.99Å; F74-D77 PolarHBondContact O-N 3.13Å; D77-G79 VanDerWaalsContact C-N 3.27Å; D77-G79 PolarHBondContact O-N 3.48Å; D77-G79 VanDerWaalsContact O-N 3.11Å; D77-N80 PolarHBondContact O-N 3.39Å; D77-N80 VanDerWaalsContact O-N 3.08Å; D77-R81 PolarHBondContact O-N 3.35Å
78A95.2Very high96.8Very high16 Ų1660 Ų6013%0.13230%0.3CS..Hα-helixtrans-56.1-35.8-169.200000114.3F74 R81 L82 P555F74-A78 HydrophobicContact CD2-CB 4.37Å; A78-R81 PolarHBondContact O-N 2.98Å; A78-L82 WeakPolarHBondContact O-CB 3.41Å; A78-L82 VanDerWaalsContact O-CG 3.29Å; A78-L82 WeakPolarHBondContact O-CG 3.49Å; A78-L82 PolarHBondContact O-N 2.97Å; A78-P555 HydrophobicContact CB-CB 4.16Å; A78-P555 HydrophobicContact CB-CG 3.8Å
79G96.6Very high96.7Very high0 Ų059.6 Ų59.60%030%0.295CS..Hα-helixtrans-65.7-40.2179.100000113.3L44 F74 D77 R81 H83L44-G79 VanDerWaalsContact CD2-C 3.45Å; L44-G79 WeakPolarHBondContact CD2-O 3.49Å; F74-G79 VanDerWaalsContact CE2-CA 3.47Å; F74-G79 WeakPolarHBondContact O-CA 3.22Å; F74-G79 PolarHBondContact O-N 3.27Å; D77-G79 VanDerWaalsContact C-N 3.27Å; D77-G79 PolarHBondContact O-N 3.48Å; D77-G79 VanDerWaalsContact O-N 3.11Å; G79-R81 VanDerWaalsContact C-N 3.33Å; G79-R81 PolarHBondContact O-N 3.3Å; G79-H83 WeakPolarHBondContact O-CB 3.33Å; G79-H83 PolarHBondContact O-N 3.28Å
80N95.4Very high96.7Very high53 Ų5359.6 Ų59.628%0.28328%0.284SS..Hα-helixtrans-62.5-42.4174.9-98-42.1000111.4L44 F75 K76 D77 R84L44-N80 HydrophobicContact CD2-CB 4.48Å; F75-N80 VanDerWaalsContact O-CG 3.31Å; F75-N80 PolarHBondContact O-ND2 3.15Å; K76-N80 PolarHBondContact O-ND2 3.25Å; D77-N80 PolarHBondContact O-N 3.39Å; D77-N80 VanDerWaalsContact O-N 3.08Å; N80-R84 WeakPolarHBondContact O-CB 3.49Å; N80-R84 VanDerWaalsContact O-CG 3.24Å; N80-R84 WeakPolarHBondContact O-CG 3.35Å; N80-R84 PolarHBondContact O-N 3.23Å; N80-R84 VanDerWaalsContact O-N 3.1Å
81R95.5Very high96.6Very high93 Ų9365.1 Ų65.135%0.35130%0.302SS..Hα-helixtrans-63.1-56.3176.4-177.8-179.667.292.7-10.7111.1D77 A78 G79 H83 R84 E85 D552D77-R81 PolarHBondContact O-N 3.35Å; A78-R81 PolarHBondContact O-N 2.98Å; G79-R81 VanDerWaalsContact C-N 3.33Å; G79-R81 PolarHBondContact O-N 3.3Å; R81-H83 VanDerWaalsContact C-N 3.32Å; R81-H83 PolarHBondContact O-N 3.36Å; R81-R84 WeakPolarHBondContact O-CB 3.38Å; R81-R84 PolarHBondContact O-N 3.36Å; R81-R84 VanDerWaalsContact O-N 3.14Å; R81-E85 WeakPolarHBondContact CG-OE1 3.4Å; R81-E85 IonicContact CZ-OE1 3.15Å; R81-E85 IonicContact NH1-OE1 3.68Å; R81-E85 PolarHBondContact NH1-OE1 3.21Å; R81-E85 IonicContact NH1-OE2 3.56Å; R81-E85 WeakPolarHBondContact O-CG 3.34Å; R81-E85 PolarHBondContact O-N 3.1Å; R81-D552 IonicContact CZ-OD2 2.74Å; R81-D552 VanDerWaalsContact CZ-OD2 3.26Å; R81-D552 IonicContact NH1-OD2 3Å; R81-D552 PolarHBondContact NH1-OD2 2.96Å; R81-D552 IonicContact NH2-OD2 3.66Å; R81-D552 PolarHBondContact NH2-OD2 3.48Å
82L97.2Very high96.6Very high0 Ų074.5 Ų74.50%034%0.337CS..Hα-helixtrans-60-40.1-178.8-69.4168.7000112.1F74 A78 E85 L86 M543 L546 A547 P555 F558F74-L82 HydrophobicContact CE2-CD1 4.18Å; A78-L82 WeakPolarHBondContact O-CB 3.41Å; A78-L82 VanDerWaalsContact O-CG 3.29Å; A78-L82 WeakPolarHBondContact O-CG 3.49Å; A78-L82 PolarHBondContact O-N 2.97Å; L82-E85 PolarHBondContact O-N 3.15Å; L82-L86 WeakPolarHBondContact O-CB 3.49Å; L82-L86 PolarHBondContact O-N 2.91Å; L82-M543 HydrophobicContact CB-CB 4.17Å; L82-M543 HydrophobicContact CB-CG 4.16Å; L82-M543 HydrophobicContact CB-SD 4.33Å; L82-M543 HydrophobicContact CD1-CB 4.41Å; L82-L546 HydrophobicContact CD2-CB 4.49Å; L82-L546 HydrophobicContact CD2-CD2 4.29Å; L82-L546 HydrophobicContact CD2-CG 4.26Å; L82-A547 HydrophobicContact CD1-CB 4.13Å; L82-A547 HydrophobicContact CD2-CB 3.93Å; L82-P555 HydrophobicContact CD1-CG 3.74Å; L82-F558 HydrophobicContact CD1-CE2 4.49Å
83H97.8Very high96.6Very high23 Ų2373.9 Ų73.911%0.10633%0.327CS..Hα-helixtrans-63.9-42.5175.8-178.168.8000112.3P42 L44 G79 R81 L86 L87 H539 M543P42-H83 PolarHBondContact O-CE1 3.3Å; P42-H83 VanDerWaalsContact O-CE1 3.27Å; L44-H83 HydrophobicContact CB-CB 4.32Å; L44-H83 HydrophobicContact CD1-CB 4.37Å; L44-H83 HydrophobicContact CD2-CB 4.14Å; G79-H83 WeakPolarHBondContact O-CB 3.33Å; G79-H83 PolarHBondContact O-N 3.28Å; R81-H83 VanDerWaalsContact C-N 3.32Å; R81-H83 PolarHBondContact O-N 3.36Å; H83-L86 PolarHBondContact O-N 2.95Å; H83-L87 WeakPolarHBondContact O-CB 3.47Å; H83-L87 VanDerWaalsContact O-CG 3.32Å; H83-L87 WeakPolarHBondContact O-CG 3.43Å; H83-L87 PolarHBondContact O-N 2.87Å; H83-H539 AromaticContact CE1-CE1 3.59Å; H83-H539 AromaticContact CE1-NE2 3.68Å; H83-H539 AromaticContact ND1-CE1 3.25Å; H83-H539 PolarHBondContact ND1-CE1 3.14Å; H83-H539 AromaticContact ND1-NE2 3.01Å; H83-H539 PolarHBondContact ND1-NE2 2.83Å; H83-M543 HydrophobicContact CB-SD 4.1Å
84R96.9Very high96.5Very high170 Ų17075.5 Ų75.564%0.64233%0.328SS*.Hα-helixtrans-62.4-43.5175-75172.2-176.4-173.72.4111.5N80 R81 L87 L88N80-R84 WeakPolarHBondContact O-CB 3.49Å; N80-R84 VanDerWaalsContact O-CG 3.24Å; N80-R84 WeakPolarHBondContact O-CG 3.35Å; N80-R84 PolarHBondContact O-N 3.23Å; N80-R84 VanDerWaalsContact O-N 3.1Å; R81-R84 WeakPolarHBondContact O-CB 3.38Å; R81-R84 PolarHBondContact O-N 3.36Å; R81-R84 VanDerWaalsContact O-N 3.14Å; R84-L87 PolarHBondContact O-N 3.39Å; R84-L88 WeakPolarHBondContact O-CG 3.36Å; R84-L88 PolarHBondContact O-N 3.29Å
85E96.1Very high96.4Very high35 Ų3581 Ų8116%0.16435%0.354CS..Hα-helixtrans-62.6-43.6176.4-69.1179.9-160.200111.6R81 L82 L87 L88 W89 L546 R550R81-E85 WeakPolarHBondContact CG-OE1 3.4Å; R81-E85 IonicContact CZ-OE1 3.15Å; R81-E85 IonicContact NH1-OE1 3.68Å; R81-E85 PolarHBondContact NH1-OE1 3.21Å; R81-E85 IonicContact NH1-OE2 3.56Å; R81-E85 WeakPolarHBondContact O-CG 3.34Å; R81-E85 PolarHBondContact O-N 3.1Å; L82-E85 PolarHBondContact O-N 3.15Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 3.23Å; E85-L88 WeakPolarHBondContact O-CB 3.47Å; E85-L88 PolarHBondContact O-N 3.27Å; E85-W89 PolarHBondContact O-N 2.98Å; E85-L546 HydrophobicContact CB-CD2 3.76Å; E85-R550 IonicContact OE1-CZ 3.76Å; E85-R550 IonicContact OE1-NH1 3.18Å; E85-R550 PolarHBondContact OE1-NH1 3.38Å; E85-R550 VanDerWaalsContact OE2-CD 3.28Å; E85-R550 WeakPolarHBondContact OE2-CD 3.41Å; E85-R550 IonicContact OE2-CZ 3.15Å; E85-R550 IonicContact OE2-NE 3.8Å; E85-R550 IonicContact OE2-NH1 2.73Å; E85-R550 PolarHBondContact OE2-NH1 3.23Å
86L97.4Very high96.4Very high9 Ų978.3 Ų78.35%0.04734%0.343CS..Hα-helixtrans-61.9-40.9175.1-171.765000111.6I41 L82 H83 W89 Y90 Y98 A542 M543 L546I41-L86 HydrophobicContact CD1-CD2 4.18Å; I41-L86 HydrophobicContact CD1-CG 3.88Å; I41-L86 HydrophobicContact CG2-CD2 4.32Å; L82-L86 WeakPolarHBondContact O-CB 3.49Å; L82-L86 PolarHBondContact O-N 2.91Å; H83-L86 PolarHBondContact O-N 2.95Å; L86-W89 PolarHBondContact O-N 3.15Å; L86-Y90 VanDerWaalsContact O-CB 3.23Å; L86-Y90 WeakPolarHBondContact O-CB 3.34Å; L86-Y90 PolarHBondContact O-N 2.89Å; L86-Y98 HydrophobicContact CD1-CD2 4.29Å; L86-Y98 HydrophobicContact CD2-CD2 4.06Å; L86-A542 HydrophobicContact CD1-CB 4.31Å; L86-A542 HydrophobicContact CD2-CB 4.1Å; L86-M543 HydrophobicContact CD2-CG 4.29Å; L86-L546 HydrophobicContact CB-CD2 4.28Å
87L97.8Very high96.5Very high48 Ų4870.1 Ų70.125%0.25131%0.308SS..Hα-helixtrans-64.3-38.2173.8-73.6174.5000112.5I41 H83 R84 E85 Y90 R91I41-L87 HydrophobicContact CB-CD2 4.3Å; I41-L87 HydrophobicContact CD1-CD2 4.09Å; I41-L87 HydrophobicContact CG2-CD2 4.4Å; H83-L87 WeakPolarHBondContact O-CB 3.47Å; H83-L87 VanDerWaalsContact O-CG 3.32Å; H83-L87 WeakPolarHBondContact O-CG 3.43Å; H83-L87 PolarHBondContact O-N 2.87Å; R84-L87 PolarHBondContact O-N 3.39Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 3.23Å; L87-Y90 PolarHBondContact O-N 3.35Å; L87-R91 VanDerWaalsContact O-CG 3.31Å; L87-R91 WeakPolarHBondContact O-CG 3.29Å; L87-R91 PolarHBondContact O-N 2.98Å
88L97.2Very high96.7Very high82 Ų8264.4 Ų64.443%0.42928%0.277SS..Hα-helixtrans-65-46.1174.8-72.6171.8000111R84 E85 Y90 R91 R92R84-L88 WeakPolarHBondContact O-CG 3.36Å; R84-L88 PolarHBondContact O-N 3.29Å; E85-L88 WeakPolarHBondContact O-CB 3.47Å; E85-L88 PolarHBondContact O-N 3.27Å; L88-Y90 VanDerWaalsContact C-N 3.3Å; L88-Y90 PolarHBondContact O-N 2.8Å; L88-R91 PolarHBondContact O-N 3.03Å; L88-R92 WeakPolarHBondContact O-CG 3.44Å; L88-R92 PolarHBondContact O-N 3.26Å; L88-R92 VanDerWaalsContact O-N 3.14Å
89W96.3Very high96.9Very high87 Ų8763.7 Ų63.733%0.3327%0.271SS..Hα-helixtrans-57.4-46.1173-174.899000110.7E85 L86 R91 R92 N93 T96 S97 Y98E85-W89 PolarHBondContact O-N 2.98Å; L86-W89 PolarHBondContact O-N 3.15Å; W89-R91 VanDerWaalsContact C-N 3.34Å; W89-R91 PolarHBondContact O-N 2.97Å; W89-R92 PolarHBondContact O-N 3.37Å; W89-R92 VanDerWaalsContact O-N 3.16Å; W89-N93 HydrophobicContact CD2-CB 4.22Å; W89-N93 VanDerWaalsContact CE2-ND2 3.27Å; W89-N93 HydrophobicContact CE3-CB 4.08Å; W89-N93 HydrophobicContact CH2-CB 3.82Å; W89-N93 HydrophobicContact CZ2-CB 3.98Å; W89-N93 HydrophobicContact CZ3-CB 3.82Å; W89-N93 PolarHBondContact NE1-ND2 2.85Å; W89-N93 WeakPolarHBondContact O-CB 3.39Å; W89-N93 PolarHBondContact O-N 3.37Å; W89-N93 PolarHBondContact O-ND2 3.46Å; W89-T96 HydrophobicContact CH2-CG2 3.68Å; W89-T96 HydrophobicContact CZ2-CG2 4.48Å; W89-T96 HydrophobicContact CZ3-CG2 4.39Å; W89-S97 WeakPolarHBondContact CH2-O 3.24Å; W89-Y98 VanDerWaalsContact CZ3-CA 3.48Å
90Y96.8Very high96.8Very high35 Ų3564.3 Ų64.314%0.13728%0.275CS..Hα-helixtrans-62.7-36.8178.6-179.7-104.7000112.3R38 L39 I41 L86 L87 L88 R92R38-Y90 HydrophobicContact CB-CE2 4.46Å; R38-Y90 WeakPolarHBondContact CB-OH 3.28Å; R38-Y90 VanDerWaalsContact CZ-CZ 3.42Å; R38-Y90 VanDerWaalsContact NH1-CE1 3.28Å; R38-Y90 PolarHBondContact NH1-O 3.39Å; R38-Y90 PolarHBondContact NH2-O 2.98Å; L39-Y90 VanDerWaalsContact O-CE2 3.22Å; L39-Y90 WeakPolarHBondContact O-CE2 3.45Å; L39-Y90 PolarHBondContact O-OH 2.98Å; I41-Y90 VanDerWaalsContact CD1-CB 3.49Å; I41-Y90 HydrophobicContact CD1-CD1 4.11Å; I41-Y90 HydrophobicContact CD1-CD2 3.81Å; I41-Y90 HydrophobicContact CD1-CG 3.55Å; I41-Y90 HydrophobicContact CG1-CD2 4.21Å; I41-Y90 HydrophobicContact CG1-CG 4.31Å; L86-Y90 VanDerWaalsContact O-CB 3.23Å; L86-Y90 WeakPolarHBondContact O-CB 3.34Å; L86-Y90 PolarHBondContact O-N 2.89Å; L87-Y90 PolarHBondContact O-N 3.35Å; L88-Y90 VanDerWaalsContact C-N 3.3Å; L88-Y90 PolarHBondContact O-N 2.8Å; Y90-R92 VanDerWaalsContact C-N 3.35Å
91R97.1Very high96.8Very high167 Ų16765.3 Ų65.363%0.6328%0.278SS*.Hα-helixtrans-68.7-33.8175.7-73.7172.2-171.7176.33112.8L87 L88 W89L87-R91 VanDerWaalsContact O-CG 3.31Å; L87-R91 WeakPolarHBondContact O-CG 3.29Å; L87-R91 PolarHBondContact O-N 2.98Å; L88-R91 PolarHBondContact O-N 3.03Å; W89-R91 VanDerWaalsContact C-N 3.34Å; W89-R91 PolarHBondContact O-N 2.97Å
92R97Very high96.9Very high200 Ų20061.4 Ų61.476%0.75526%0.264SS*.Hα-helixtrans-78.7-34.4179.9-68.7175.2179.2174.7-0.4112.5L88 W89 Y90 K94L88-R92 WeakPolarHBondContact O-CG 3.44Å; L88-R92 PolarHBondContact O-N 3.26Å; L88-R92 VanDerWaalsContact O-N 3.14Å; W89-R92 PolarHBondContact O-N 3.37Å; W89-R92 VanDerWaalsContact O-N 3.16Å; Y90-R92 VanDerWaalsContact C-N 3.35Å; R92-K94 PolarHBondContact O-N 3.09Å
93N97.1Very high96.8Very high42 Ų4262.2 Ų62.223%0.22527%0.268CS..  trans-104.966.5-174.8-62.9-75.5000111.9R38 W89 H95 T96R38-N93 PolarHBondContact NH2-O 3.48Å; W89-N93 HydrophobicContact CD2-CB 4.22Å; W89-N93 VanDerWaalsContact CE2-ND2 3.27Å; W89-N93 HydrophobicContact CE3-CB 4.08Å; W89-N93 HydrophobicContact CH2-CB 3.82Å; W89-N93 HydrophobicContact CZ2-CB 3.98Å; W89-N93 HydrophobicContact CZ3-CB 3.82Å; W89-N93 PolarHBondContact NE1-ND2 2.85Å; W89-N93 WeakPolarHBondContact O-CB 3.39Å; W89-N93 PolarHBondContact O-N 3.37Å; W89-N93 PolarHBondContact O-ND2 3.46Å; N93-H95 VanDerWaalsContact C-N 3.28Å; N93-H95 PolarHBondContact O-N 3.04Å; N93-T96 HydrophobicContact CB-CG2 4.17Å
94K95.8Very high96.7Very high146 Ų14662.8 Ų62.864%0.63527%0.27SS*.THydrogen-bonded Turntrans-69.2-23.4-176.3-65.5-176-177.2176.20114.7R38 R92 T96R38-K94 PolarHBondContact NE-O 3.24Å; R92-K94 PolarHBondContact O-N 3.09Å; K94-T96 VanDerWaalsContact C-N 3.26Å; K94-T96 PolarHBondContact O-N 3.03Å
95H95.5Very high96.7Very high124 Ų12454.9 Ų54.957%0.57424%0.24SC*.THydrogen-bonded Turntrans-76.7-7.2-175.363.5-88.2000114N93 H480N93-H95 VanDerWaalsContact C-N 3.28Å; N93-H95 PolarHBondContact O-N 3.04Å; H95-H480 PolarHBondContact O-CE1 3.39Å; H95-H480 VanDerWaalsContact O-CE1 3.25Å
96T97.4Very high96.6Very high18 Ų1856.2 Ų56.211%0.1125%0.247CC..SBendtrans-144.5172-175.7-168.70000111.6W89 N93 K94 H480W89-T96 HydrophobicContact CH2-CG2 3.68Å; W89-T96 HydrophobicContact CZ2-CG2 4.48Å; W89-T96 HydrophobicContact CZ3-CG2 4.39Å; N93-T96 HydrophobicContact CB-CG2 4.17Å; K94-T96 VanDerWaalsContact C-N 3.26Å; K94-T96 PolarHBondContact O-N 3.03Å; T96-H480 WeakPolarHBondContact CA-ND1 3.27Å; T96-H480 VanDerWaalsContact CB-ND1 3.32Å; T96-H480 WeakPolarHBondContact CB-ND1 3.22Å; T96-H480 PolarHBondContact OG1-ND1 2.97Å
97S97.6Very high96.6Very high1 Ų157.7 Ų57.71%0.00725%0.253CS..  trans-87.2160.2171.690.40000111.4W89 I99 T100 H480W89-S97 WeakPolarHBondContact CH2-O 3.24Å; S97-I99 PolarHBondContact O-N 3.36Å; S97-I99 WeakPolarHBondContact OG-CG2 3.34Å; S97-I99 PolarHBondContact OG-N 3.43Å; S97-T100 PolarHBondContact OG-N 2.87Å; S97-T100 VanDerWaalsContact OG-N 3.11Å; S97-T100 PolarHBondContact OG-OG1 3.47Å; S97-H480 PolarHBondContact OG-O 3.03Å
98Y97.7Very high96.5Very high4 Ų456.3 Ų56.32%0.01625%0.245CC..SBendtrans-69.4-15176.777.9-89.1000113.8L39 I41 L86 W89 A542L39-Y98 HydrophobicContact CD2-CD1 4.19Å; L39-Y98 HydrophobicContact CD2-CE1 3.78Å; L39-Y98 HydrophobicContact CG-CE1 4.13Å; I41-Y98 HydrophobicContact CD1-CD1 4.27Å; I41-Y98 HydrophobicContact CD1-CG 4.2Å; I41-Y98 HydrophobicContact CG1-CD1 3.5Å; I41-Y98 HydrophobicContact CG1-CE1 3.9Å; I41-Y98 HydrophobicContact CG1-CG 3.87Å; L86-Y98 HydrophobicContact CD1-CD2 4.29Å; L86-Y98 HydrophobicContact CD2-CD2 4.06Å; W89-Y98 VanDerWaalsContact CZ3-CA 3.48Å; Y98-A542 HydrophobicContact CD2-CB 3.55Å; Y98-A542 HydrophobicContact CE2-CB 3.61Å
99I97.8Very high96.5Very high1 Ų158.1 Ų58.11%0.00525%0.246CC..SBendtrans-108.2-23.4-170.4-163.261.2000113.2L39 S97 E101 P102 W103 R482 R538 F541 A542L39-I99 HydrophobicContact CD2-CG2 3.57Å; S97-I99 PolarHBondContact O-N 3.36Å; S97-I99 WeakPolarHBondContact OG-CG2 3.34Å; S97-I99 PolarHBondContact OG-N 3.43Å; I99-E101 PolarHBondContact O-N 3.04Å; I99-P102 WeakPolarHBondContact O-CD 3.3Å; I99-W103 HydrophobicContact CG1-CB 4.4Å; I99-W103 WeakPolarHBondContact O-CB 3.36Å; I99-W103 PolarHBondContact O-N 3.5Å; I99-R482 HydrophobicContact CG2-CB 4.28Å; I99-R482 HydrophobicContact CG2-CG 4.21Å; I99-R538 HydrophobicContact CD1-CB 3.83Å; I99-R538 HydrophobicContact CD1-CG 4.28Å; I99-R538 WeakPolarHBondContact CD1-O 3.5Å; I99-R538 HydrophobicContact CG1-CB 3.91Å; I99-R538 HydrophobicContact CG1-CG 4.03Å; I99-F541 HydrophobicContact CD1-CD1 3.79Å; I99-F541 HydrophobicContact CD1-CE1 4.39Å; I99-A542 HydrophobicContact CD1-CB 4.2Å
100T96.4Very high96.5Very high13 Ų1356 Ų568%0.0824%0.244CC..Hα-helixtrans-52.4-54.6-173.4-52.40000112.7S97 F104 H480S97-T100 PolarHBondContact OG-N 2.87Å; S97-T100 VanDerWaalsContact OG-N 3.11Å; S97-T100 PolarHBondContact OG-OG1 3.47Å; T100-F104 HydrophobicContact CG2-CD2 3.79Å; T100-F104 HydrophobicContact CG2-CE2 3.53Å; T100-F104 WeakPolarHBondContact O-CD2 3.35Å; T100-F104 PolarHBondContact O-N 2.66Å; T100-H480 HydrophobicContact CG2-CB 4.24Å; T100-H480 VanDerWaalsContact OG1-CB 3.27Å; T100-H480 WeakPolarHBondContact OG1-CB 3.33Å; T100-H480 PolarHBondContact OG1-O 3.19Å
101E95.2Very high96.5Very high74 Ų7456.7 Ų56.735%0.34625%0.246SC..Hα-helixtrans-73.8-44.5-175.5-175.8-75.715000112.4I99 W103 F104 D105 R549I99-E101 PolarHBondContact O-N 3.04Å; E101-W103 PolarHBondContact O-N 3.13Å; E101-F104 PolarHBondContact O-N 2.7Å; E101-D105 WeakPolarHBondContact O-CB 3.12Å; E101-D105 PolarHBondContact O-N 2.87Å; E101-R549 IonicContact OE1-CZ 3.36Å; E101-R549 IonicContact OE1-NH1 3.29Å; E101-R549 IonicContact OE1-NH2 2.92Å; E101-R549 PolarHBondContact OE1-NH2 3.14Å; E101-R549 IonicContact OE2-CZ 3.84Å; E101-R549 IonicContact OE2-NH1 2.8Å; E101-R549 PolarHBondContact OE2-NH1 3.07Å; E101-R549 IonicContact OE2-NH2 3.88Å; E101-R549 PolarHBondContact OE2-NH2 3.08Å
102P96.2Very high96.4Very high10 Ų1050.7 Ų50.77%0.06523%0.233CC..Hα-helixtrans-57.1-37.6172.5-28.735.9000113.5I99 D105 M106 F541 M545I99-P102 WeakPolarHBondContact O-CD 3.3Å; P102-D105 PolarHBondContact O-N 2.71Å; P102-M106 PolarHBondContact O-N 2.96Å; P102-M106 VanDerWaalsContact O-N 3.07Å; P102-F541 HydrophobicContact CB-CE1 3.84Å; P102-M545 HydrophobicContact CB-CB 4.31Å; P102-M545 HydrophobicContact CB-CG 4.19Å
103W96.5Very high96.5Very high18 Ų1841.6 Ų41.67%0.06820%0.2CC..Hα-helixtrans-70.7-41.8179.7-159.4-117.3000112I99 E101 M106 Y107 R538 F541I99-W103 HydrophobicContact CG1-CB 4.4Å; I99-W103 WeakPolarHBondContact O-CB 3.36Å; I99-W103 PolarHBondContact O-N 3.5Å; E101-W103 PolarHBondContact O-N 3.13Å; W103-M106 HydrophobicContact CD2-CE 4.21Å; W103-M106 HydrophobicContact CE3-CE 4.05Å; W103-M106 HydrophobicContact CE3-SD 4.2Å; W103-M106 HydrophobicContact CH2-CE 3.65Å; W103-M106 HydrophobicContact CH2-SD 4.11Å; W103-M106 HydrophobicContact CZ2-CE 3.86Å; W103-M106 HydrophobicContact CZ3-CE 3.78Å; W103-M106 HydrophobicContact CZ3-SD 3.77Å; W103-M106 PolarHBondContact O-N 3.3Å; W103-Y107 AromaticContact CD1-CE2 3.97Å; W103-Y107 HydrophobicContact CD2-CE2 4.43Å; W103-Y107 AromaticContact CE2-CE2 3.82Å; W103-Y107 HydrophobicContact CG-CE2 4.48Å; W103-Y107 HydrophobicContact CZ2-CE2 4.21Å; W103-Y107 AromaticContact NE1-CE2 3.57Å; W103-Y107 VanDerWaalsContact O-CD2 3.27Å; W103-Y107 WeakPolarHBondContact O-CD2 3.25Å; W103-R538 VanDerWaalsContact CH2-NH1 3.34Å; W103-R538 VanDerWaalsContact CH2-NH2 3.3Å; W103-F541 AromaticContact CE3-CD1 3.98Å; W103-F541 HydrophobicContact CE3-CD1 3.98Å; W103-F541 AromaticContact CE3-CE1 3.8Å; W103-F541 HydrophobicContact CE3-CE1 3.8Å; W103-F541 HydrophobicContact CE3-CZ 4.43Å; W103-F541 HydrophobicContact CZ3-CD1 4.26Å; W103-F541 HydrophobicContact CZ3-CE1 4.31Å
104F95.9Very high96.5Very high35 Ų3539.6 Ų39.615%0.15419%0.189CC..Hα-helixtrans-59.3-46.9169.7-84.3-55.2000112T100 E101 M106 Y107 F108 S356 W357T100-F104 HydrophobicContact CG2-CD2 3.79Å; T100-F104 HydrophobicContact CG2-CE2 3.53Å; T100-F104 WeakPolarHBondContact O-CD2 3.35Å; T100-F104 PolarHBondContact O-N 2.66Å; E101-F104 PolarHBondContact O-N 2.7Å; F104-M106 VanDerWaalsContact C-N 3.28Å; F104-M106 PolarHBondContact O-N 3.36Å; F104-Y107 PolarHBondContact O-N 3.19Å; F104-F108 HydrophobicContact CB-CD2 4.09Å; F104-F108 HydrophobicContact CB-CE2 3.72Å; F104-F108 AromaticContact CD1-CE2 3.8Å; F104-F108 HydrophobicContact CD1-CE2 3.8Å; F104-F108 AromaticContact CD1-CZ 3.92Å; F104-F108 HydrophobicContact CD1-CZ 3.92Å; F104-F108 HydrophobicContact CG-CE2 4.05Å; F104-F108 WeakPolarHBondContact O-CD2 3.35Å; F104-F108 WeakPolarHBondContact O-CG 3.34Å; F104-F108 PolarHBondContact O-N 3.42Å; F104-S356 WeakPolarHBondContact CD1-O 3.24Å; F104-S356 WeakPolarHBondContact CE1-O 3.48Å; F104-W357 WeakPolarHBondContact CE1-O 3.39Å
105D95.4Very high96.6Very high3 Ų332.7 Ų32.72%0.01616%0.159CC..Hα-helixtrans-60-38.3-177.8-162.447.5000111.9E101 P102 F108 R109 K213 R549E101-D105 WeakPolarHBondContact O-CB 3.12Å; E101-D105 PolarHBondContact O-N 2.87Å; P102-D105 PolarHBondContact O-N 2.71Å; D105-F108 PolarHBondContact O-N 2.9Å; D105-R109 VanDerWaalsContact O-CB 3.27Å; D105-R109 WeakPolarHBondContact O-CB 3.41Å; D105-R109 VanDerWaalsContact O-CG 3.24Å; D105-R109 WeakPolarHBondContact O-CG 3.29Å; D105-R109 PolarHBondContact O-N 3.05Å; D105-R109 IonicContact OD1-CZ 3.43Å; D105-R109 IonicContact OD1-NE 2.92Å; D105-R109 PolarHBondContact OD1-NE 3.27Å; D105-R109 IonicContact OD1-NH2 2.64Å; D105-R109 IonicContact OD2-CZ 2.88Å; D105-R109 IonicContact OD2-NE 3.26Å; D105-R109 PolarHBondContact OD2-NE 2.87Å; D105-R109 IonicContact OD2-NH2 2.73Å; D105-K213 WeakPolarHBondContact OD1-CD 3.08Å; D105-K213 VanDerWaalsContact OD1-CE 3.22Å; D105-K213 WeakPolarHBondContact OD1-CE 3.44Å; D105-K213 IonicContact OD1-NZ 3.78Å; D105-K213 PolarHBondContact OD1-NZ 3.34Å; D105-R549 IonicContact OD2-CZ 3.69Å; D105-R549 IonicContact OD2-NE 3.53Å; D105-R549 IonicContact OD2-NH2 2.78Å; D105-R549 PolarHBondContact OD2-NH2 2.64Å
106M95.3Very high96.7Very high64 Ų6426.9 Ų26.932%0.31513%0.132SC..Hα-helixtrans-56-51.5173.8-172.9-17070.500112.3P102 W103 F104 S110 F541P102-M106 PolarHBondContact O-N 2.96Å; P102-M106 VanDerWaalsContact O-N 3.07Å; W103-M106 HydrophobicContact CD2-CE 4.21Å; W103-M106 HydrophobicContact CE3-CE 4.05Å; W103-M106 HydrophobicContact CE3-SD 4.2Å; W103-M106 HydrophobicContact CH2-CE 3.65Å; W103-M106 HydrophobicContact CH2-SD 4.11Å; W103-M106 HydrophobicContact CZ2-CE 3.86Å; W103-M106 HydrophobicContact CZ3-CE 3.78Å; W103-M106 HydrophobicContact CZ3-SD 3.77Å; W103-M106 PolarHBondContact O-N 3.3Å; F104-M106 VanDerWaalsContact C-N 3.28Å; F104-M106 PolarHBondContact O-N 3.36Å; M106-S110 PolarHBondContact O-N 2.81Å; M106-S110 VanDerWaalsContact O-N 3.12Å; M106-F541 HydrophobicContact CB-CZ 3.93Å; M106-F541 HydrophobicContact CG-CE2 4.47Å; M106-F541 HydrophobicContact CG-CZ 4.25Å; M106-F541 HydrophobicContact SD-CE2 4.22Å; M106-F541 HydrophobicContact SD-CZ 4.18Å
107Y96.3Very high96.6Very high40 Ų4028.7 Ų28.716%0.15714%0.141CC..Hα-helixtrans-67.9-42.6-178.9-74.4-72.6000112W103 F104 R109 S110 Q118 R207W103-Y107 AromaticContact CD1-CE2 3.97Å; W103-Y107 HydrophobicContact CD2-CE2 4.43Å; W103-Y107 AromaticContact CE2-CE2 3.82Å; W103-Y107 HydrophobicContact CG-CE2 4.48Å; W103-Y107 HydrophobicContact CZ2-CE2 4.21Å; W103-Y107 AromaticContact NE1-CE2 3.57Å; W103-Y107 VanDerWaalsContact O-CD2 3.27Å; W103-Y107 WeakPolarHBondContact O-CD2 3.25Å; F104-Y107 PolarHBondContact O-N 3.19Å; Y107-R109 VanDerWaalsContact C-N 3.32Å; Y107-R109 PolarHBondContact O-N 3.36Å; Y107-S110 WeakPolarHBondContact O-CB 3.27Å; Y107-S110 PolarHBondContact O-N 2.9Å; Y107-Q118 HydrophobicContact CD1-CG 4.47Å; Y107-R207 PolarHBondContact O-NH2 3.4Å
108F96.8Very high96.5Very high19 Ų1929.5 Ų29.58%0.08315%0.145CC..Hα-helixtrans-68.2-30-179.1-65.6-42.4000113.4F104 D105 R111 K213 D214 L216 S356F104-F108 HydrophobicContact CB-CD2 4.09Å; F104-F108 HydrophobicContact CB-CE2 3.72Å; F104-F108 AromaticContact CD1-CE2 3.8Å; F104-F108 HydrophobicContact CD1-CE2 3.8Å; F104-F108 AromaticContact CD1-CZ 3.92Å; F104-F108 HydrophobicContact CD1-CZ 3.92Å; F104-F108 HydrophobicContact CG-CE2 4.05Å; F104-F108 WeakPolarHBondContact O-CD2 3.35Å; F104-F108 WeakPolarHBondContact O-CG 3.34Å; F104-F108 PolarHBondContact O-N 3.42Å; D105-F108 PolarHBondContact O-N 2.9Å; F108-R111 PolarHBondContact O-NH1 2.93Å; F108-K213 HydrophobicContact CB-CG 3.84Å; F108-K213 WeakPolarHBondContact O-CA 3.45Å; F108-D214 WeakPolarHBondContact CB-O 3.32Å; F108-D214 HydrophobicContact CD1-CB 4.44Å; F108-D214 PolarHBondContact O-N 2.91Å; F108-L216 HydrophobicContact CE1-CD1 4.37Å; F108-L216 HydrophobicContact CE1-CD2 3.91Å; F108-L216 HydrophobicContact CE1-CG 3.75Å; F108-L216 HydrophobicContact CZ-CD1 3.76Å; F108-L216 HydrophobicContact CZ-CD2 4.16Å; F108-L216 HydrophobicContact CZ-CG 3.55Å; F108-S356 WeakPolarHBondContact CE1-OG 3.35Å
109R96.3Very high96.6Very high120 Ų12029.3 Ų29.345%0.45314%0.144SC..Hα-helixtrans-83.8-18.1175.5-70.2177.9-180-79.40.7113.8D105 Y107 R111 K213D105-R109 VanDerWaalsContact O-CB 3.27Å; D105-R109 WeakPolarHBondContact O-CB 3.41Å; D105-R109 VanDerWaalsContact O-CG 3.24Å; D105-R109 WeakPolarHBondContact O-CG 3.29Å; D105-R109 PolarHBondContact O-N 3.05Å; D105-R109 IonicContact OD1-CZ 3.43Å; D105-R109 IonicContact OD1-NE 2.92Å; D105-R109 PolarHBondContact OD1-NE 3.27Å; D105-R109 IonicContact OD1-NH2 2.64Å; D105-R109 IonicContact OD2-CZ 2.88Å; D105-R109 IonicContact OD2-NE 3.26Å; D105-R109 PolarHBondContact OD2-NE 2.87Å; D105-R109 IonicContact OD2-NH2 2.73Å; Y107-R109 VanDerWaalsContact C-N 3.32Å; Y107-R109 PolarHBondContact O-N 3.36Å; R109-R111 VanDerWaalsContact O-CD 3.25Å; R109-R111 WeakPolarHBondContact O-CD 3.44Å; R109-R111 PolarHBondContact O-N 3.36Å; R109-K213 HydrophobicContact CG-CB 4.12Å; R109-K213 HydrophobicContact CG-CD 4.36Å; R109-K213 HydrophobicContact CG-CG 4.13Å
110S95.8Very high96.6Very high42 Ų4230 Ų3029%0.29415%0.149SC..  trans-59.5128.8173.3-179.30000110.4M106 Y107 Q118M106-S110 PolarHBondContact O-N 2.81Å; M106-S110 VanDerWaalsContact O-N 3.12Å; Y107-S110 WeakPolarHBondContact O-CB 3.27Å; Y107-S110 PolarHBondContact O-N 2.9Å; S110-Q118 PolarHBondContact OG-NE2 2.75Å
111R97Very high96.6Very high50 Ų5029.4 Ų29.419%0.18915%0.145CC..  trans-98.1-1178.2-53.4-39.6-53.8166.5-4.7113.7F108 R109 V210 D214 R278F108-R111 PolarHBondContact O-NH1 2.93Å; R109-R111 VanDerWaalsContact O-CD 3.25Å; R109-R111 WeakPolarHBondContact O-CD 3.44Å; R109-R111 PolarHBondContact O-N 3.36Å; R111-V210 PolarHBondContact NH2-O 3.16Å; R111-V210 VanDerWaalsContact NH2-O 3.14Å; R111-D214 IonicContact CZ-OD1 3.3Å; R111-D214 VanDerWaalsContact CZ-OD1 3.29Å; R111-D214 IonicContact NH1-OD1 2.75Å; R111-D214 PolarHBondContact NH1-OD1 3.27Å; R111-D214 IonicContact NH2-OD1 2.71Å; R111-D214 PolarHBondContact NH2-OD1 3.24Å; R111-R278 PolarHBondContact NH2-O 3.01Å; R111-R278 PolarHBondContact O-N 3.44Å
112A96.4Very high96.7Very high41 Ų4126.3 Ų26.334%0.33913%0.131SC..SBendtrans-62.8142.817400000110.7R278A112-R278 WeakPolarHBondContact O-CD 3.4Å; A112-R278 WeakPolarHBondContact O-CG 3.42Å
113A97.5Very high96.8Very high9 Ų925.8 Ų25.87%0.07413%0.128CC..  trans-52.1145171.300000111.2N117 T275 L276 W421A113-N117 WeakPolarHBondContact O-CB 3.04Å; A113-N117 PolarHBondContact O-ND2 2.86Å; A113-T275 WeakPolarHBondContact CB-O 3.41Å; A113-L276 WeakPolarHBondContact CA-O 3.41Å; A113-L276 WeakPolarHBondContact CB-O 3.34Å; A113-W421 HydrophobicContact CB-CH2 3.62Å; A113-W421 HydrophobicContact CB-CZ3 3.56Å
114L98.1Very high96.7Very high0 Ų025 Ų250%013%0.125CC..SBendtrans-71.4-51.5-176.3-62.6-177000115.3Q118 N119 R207 R278 F335 D336 E354L114-Q118 HydrophobicContact CD2-CB 4.46Å; L114-Q118 PolarHBondContact O-N 3.4Å; L114-N119 WeakPolarHBondContact CB-OD1 3.28Å; L114-N119 PolarHBondContact O-N 2.85Å; L114-R207 VanDerWaalsContact CD2-NH1 3.33Å; L114-R278 VanDerWaalsContact CD1-CZ 3.46Å; L114-R278 VanDerWaalsContact CG-NH1 3.33Å; L114-F335 HydrophobicContact CB-CB 4.35Å; L114-D336 VanDerWaalsContact CD1-OD1 3.24Å; L114-D336 WeakPolarHBondContact CD1-OD1 3.29Å; L114-E354 HydrophobicContact CD1-CG 3.84Å
115P97.7Very high96.6Very high0 Ų025.3 Ų25.30%013%0.126CC..BIsolated β-bridgetrans-57.1147.4179.724.1-34.9000110.5N117 T275 F335 Y418 W421P115-N117 PolarHBondContact O-N 3.22Å; P115-T275 HydrophobicContact CG-CG2 4.25Å; P115-F335 HydrophobicContact CB-CD1 3.91Å; P115-F335 HydrophobicContact CB-CD2 4.15Å; P115-F335 HydrophobicContact CB-CE1 3.81Å; P115-F335 HydrophobicContact CB-CE2 4.05Å; P115-F335 HydrophobicContact CB-CG 4.08Å; P115-F335 HydrophobicContact CB-CZ 3.88Å; P115-F335 HydrophobicContact CG-CD2 4.04Å; P115-F335 HydrophobicContact CG-CE2 4.19Å; P115-F335 HydrophobicContact CG-CG 4.24Å; P115-Y418 HydrophobicContact CB-CE2 4.14Å; P115-Y418 WeakPolarHBondContact CB-OH 3.13Å; P115-Y418 HydrophobicContact CG-CE2 3.66Å; P115-W421 HydrophobicContact CG-CH2 4.48Å; P115-W421 HydrophobicContact CG-CZ3 4.23Å; P115-W421 WeakPolarHBondContact O-CH2 3.49Å
116I97Very high96.4Very high2 Ų229.8 Ų29.81%0.0116%0.155CC..THydrogen-bonded Turntrans67.8-50.4-178.2-54.9166.8000113.8L326 H327 W421 L425 G587I116-L326 HydrophobicContact CG1-CG 4.43Å; I116-H327 HydrophobicContact CD1-CB 4.09Å; I116-H327 HydrophobicContact CG1-CB 3.84Å; I116-W421 HydrophobicContact CB-CH2 4.38Å; I116-W421 HydrophobicContact CB-CZ2 3.95Å; I116-W421 HydrophobicContact CD1-CD2 4.26Å; I116-W421 HydrophobicContact CD1-CZ2 4.1Å; I116-W421 HydrophobicContact CG2-CZ2 4.38Å; I116-L425 HydrophobicContact CD1-CD2 4.01Å; I116-L425 HydrophobicContact CG1-CD2 4.05Å; I116-L425 HydrophobicContact CG2-CD1 4.24Å; I116-L425 HydrophobicContact CG2-CD2 3.91Å; I116-G587 VanDerWaalsContact O-CA 3.27Å; I116-G587 WeakPolarHBondContact O-CA 3.23Å; I116-G587 PolarHBondContact O-N 3.13Å
117N96.6Very high96.2Very high56 Ų5627.4 Ų27.430%0.29914%0.143SC..THydrogen-bonded Turntrans-77.7-38.9-174.3-59.2-51.7000113.6A113 P115 W421A113-N117 WeakPolarHBondContact O-CB 3.04Å; A113-N117 PolarHBondContact O-ND2 2.86Å; P115-N117 PolarHBondContact O-N 3.22Å; N117-W421 WeakPolarHBondContact ND2-CH2 3.49Å; N117-W421 VanDerWaalsContact ND2-CZ2 3.3Å; N117-W421 WeakPolarHBondContact ND2-CZ2 3.12Å
118Q95.5Very high95.7Very high18 Ų1827.4 Ų27.48%0.08416%0.156CC..THydrogen-bonded Turntrans-122.2-43.3-176.8-67.9-176.344.700111.9Y107 S110 L114 P120 H355Y107-Q118 HydrophobicContact CD1-CG 4.47Å; S110-Q118 PolarHBondContact OG-NE2 2.75Å; L114-Q118 HydrophobicContact CD2-CB 4.46Å; L114-Q118 PolarHBondContact O-N 3.4Å; Q118-P120 WeakPolarHBondContact O-CD 3.48Å; Q118-H355 HydrophobicContact CB-CB 4.44Å; Q118-H355 WeakPolarHBondContact O-CB 3.46Å
119N98.2Very high94.9Very high0 Ų035.4 Ų35.40%019%0.193CC..BIsolated β-bridgetrans-76.3113.1-175.5-68.830000111.2L114 L326 F335 N352 F353L114-N119 WeakPolarHBondContact CB-OD1 3.28Å; L114-N119 PolarHBondContact O-N 2.85Å; N119-L326 WeakPolarHBondContact O-CD1 3.38Å; N119-F335 PolarHBondContact ND2-O 2.84Å; N119-N352 PolarHBondContact ND2-OD1 3.08Å; N119-F353 VanDerWaalsContact CA-O 3.31Å; N119-F353 WeakPolarHBondContact CA-O 3.31Å; N119-F353 WeakPolarHBondContact CB-O 3.42Å
120P97.8Very high94.1Very high16 Ų1637.9 Ų37.910%0.10421%0.214CC..  trans-84.1179.3167.639.8-39.3000110.4Q118 F353 G585 F586Q118-P120 WeakPolarHBondContact O-CD 3.48Å; P120-F353 HydrophobicContact CB-CE1 4.41Å; P120-F353 HydrophobicContact CB-CZ 4.32Å; P120-F353 WeakPolarHBondContact CD-O 3.37Å; P120-F353 HydrophobicContact CG-CD1 4Å; P120-F353 HydrophobicContact CG-CD2 4Å; P120-F353 HydrophobicContact CG-CE1 3.46Å; P120-F353 VanDerWaalsContact CG-CE1 3.46Å; P120-F353 HydrophobicContact CG-CE2 3.43Å; P120-F353 VanDerWaalsContact CG-CE2 3.43Å; P120-F353 HydrophobicContact CG-CG 4.27Å; P120-F353 HydrophobicContact CG-CZ 3.15Å; P120-F353 PolarHBondContact O-N 3.08Å; P120-G585 WeakPolarHBondContact CA-O 3.3Å; P120-G585 WeakPolarHBondContact CB-O 3.07Å; P120-F586 HydrophobicContact CB-CB 4Å
121F98Very high93.4Very high1 Ų136.5 Ų36.50%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-140156.7171.276-79.9000112.3V123 G322 F325 L326 V351 L583 G584 G585 I608F121-V123 HydrophobicContact CD2-CG2 3.81Å; F121-V123 HydrophobicContact CE2-CG2 3.86Å; F121-G322 VanDerWaalsContact CZ-CA 3.49Å; F121-F325 HydrophobicContact CB-CB 3.93Å; F121-F325 HydrophobicContact CD2-CB 3.3Å; F121-F325 HydrophobicContact CD2-CG 4.22Å; F121-F325 HydrophobicContact CE2-CB 3.94Å; F121-F325 HydrophobicContact CG-CB 3.72Å; F121-L326 HydrophobicContact CD1-CB 3.6Å; F121-L326 HydrophobicContact CD1-CD1 3.86Å; F121-L326 HydrophobicContact CD1-CG 4.27Å; F121-L326 HydrophobicContact CE1-CB 3.78Å; F121-L326 HydrophobicContact CE1-CD1 4.35Å; F121-L326 HydrophobicContact CE1-CG 4.46Å; F121-L326 HydrophobicContact CG-CB 4.46Å; F121-V351 CarbonylContact C-O 3.48Å; F121-V351 VanDerWaalsContact CA-O 3.23Å; F121-V351 WeakPolarHBondContact CA-O 3.4Å; F121-L583 HydrophobicContact CE2-CD1 3.46Å; F121-L583 VanDerWaalsContact CE2-CD1 3.46Å; F121-L583 HydrophobicContact CZ-CD1 4.05Å; F121-G584 CarbonylContact O-C 3.41Å; F121-G584 WeakPolarHBondContact O-CA 3.19Å; F121-G585 WeakPolarHBondContact CD1-O 3.29Å; F121-G585 PolarHBondContact N-O 2.73Å; F121-G585 PolarHBondContact O-N 3.16Å; F121-I608 HydrophobicContact CZ-CG2 4.31Å
122L97.6Very high92.5Very high8 Ų834.7 Ų34.74%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-135.6139173.8-65.1177.1000108.9G350 V351 F353 V363 L364 M367 L576 I581L122-G350 CarbonylContact O-C 3.55Å; L122-G350 WeakPolarHBondContact O-CA 3.22Å; L122-V351 PolarHBondContact N-O 2.87Å; L122-V351 PolarHBondContact O-N 3.2Å; L122-F353 HydrophobicContact CD1-CE1 4.28Å; L122-F353 HydrophobicContact CG-CE1 4.33Å; L122-V363 HydrophobicContact CD1-CG1 4.41Å; L122-L364 HydrophobicContact CD1-CD1 4.5Å; L122-M367 HydrophobicContact CB-CE 3.77Å; L122-M367 HydrophobicContact CB-SD 3.46Å; L122-M367 WeakPolarHBondContact CB-SD 3.26Å; L122-M367 HydrophobicContact CD1-SD 3.66Å; L122-M367 HydrophobicContact CG-SD 4.2Å; L122-L576 HydrophobicContact CD2-CB 4.2Å; L122-L576 HydrophobicContact CD2-CD1 3.89Å; L122-L576 HydrophobicContact CD2-CD2 4.12Å; L122-L576 HydrophobicContact CD2-CG 4.29Å; L122-I581 HydrophobicContact CB-CD1 4.25Å; L122-I581 HydrophobicContact CD2-CG2 4.31Å
123V96.9Very high91.9Very high0 Ų039.4 Ų39.40%021%0.212CC..EExtended strand (participates in β ladder)trans-115.8131.4179.5-175.90000108.6F121 V321 F325 L348 A349 I581 L582 L583F121-V123 HydrophobicContact CD2-CG2 3.81Å; F121-V123 HydrophobicContact CE2-CG2 3.86Å; V123-V321 HydrophobicContact CG1-CG1 4.27Å; V123-V321 HydrophobicContact CG2-CG1 4Å; V123-F325 HydrophobicContact CG1-CE2 4.12Å; V123-F325 HydrophobicContact CG1-CZ 4.43Å; V123-F325 HydrophobicContact CG2-CB 4.29Å; V123-F325 HydrophobicContact CG2-CD1 4.29Å; V123-F325 HydrophobicContact CG2-CD2 3.53Å; V123-F325 HydrophobicContact CG2-CE2 3.88Å; V123-F325 HydrophobicContact CG2-CG 3.78Å; V123-F325 HydrophobicContact CG2-CZ 4.41Å; V123-L348 HydrophobicContact CG1-CD1 3.89Å; V123-L348 HydrophobicContact CG1-CD2 4.37Å; V123-L348 HydrophobicContact CG1-CG 4.1Å; V123-A349 WeakPolarHBondContact CG1-O 3.36Å; V123-I581 CarbonylContact O-C 3.52Å; V123-I581 WeakPolarHBondContact O-CA 3.26Å; V123-L582 HydrophobicContact CG1-CB 4.48Å; V123-L582 HydrophobicContact CG1-CD2 4.31Å; V123-L582 PolarHBondContact O-N 3.21Å; V123-L583 HydrophobicContact CB-CD1 4.03Å; V123-L583 HydrophobicContact CB-CG 4.18Å; V123-L583 HydrophobicContact CG2-CD1 3.58Å; V123-L583 HydrophobicContact CG2-CG 4.27Å; V123-L583 PolarHBondContact N-O 3.33Å
124W95.8Very high91.6Very high2 Ų240.3 Ų40.31%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-67.3147.2175.3-78.5-72.9000110.6F127 L142 I341 A349 V351 F366 M367 V370 S580 L582W124-F127 HydrophobicContact CB-CE1 4.08Å; W124-F127 HydrophobicContact CB-CZ 3.9Å; W124-F127 HydrophobicContact CD2-CE1 4.28Å; W124-F127 HydrophobicContact CD2-CZ 4.02Å; W124-F127 HydrophobicContact CE3-CZ 4.23Å; W124-F127 AromaticContact CG-CE1 3.91Å; W124-F127 HydrophobicContact CG-CE1 3.91Å; W124-F127 AromaticContact CG-CZ 3.9Å; W124-F127 HydrophobicContact CG-CZ 3.9Å; W124-L142 HydrophobicContact CE3-CD2 4.4Å; W124-L142 HydrophobicContact CH2-CD2 4.06Å; W124-L142 HydrophobicContact CZ2-CD2 4.31Å; W124-L142 HydrophobicContact CZ3-CD1 4.26Å; W124-L142 HydrophobicContact CZ3-CD2 4.11Å; W124-I341 HydrophobicContact CH2-CD1 4.5Å; W124-I341 HydrophobicContact CH2-CG1 4.49Å; W124-I341 HydrophobicContact CH2-CG2 4.32Å; W124-I341 HydrophobicContact CZ3-CG2 3.99Å; W124-A349 HydrophobicContact CE3-CB 3.84Å; W124-A349 HydrophobicContact CZ3-CB 4.22Å; W124-A349 PolarHBondContact N-O 3.13Å; W124-V351 HydrophobicContact CH2-CG2 3.43Å; W124-V351 VanDerWaalsContact CH2-CG2 3.43Å; W124-V351 HydrophobicContact CZ2-CG2 4.07Å; W124-V351 HydrophobicContact CZ3-CG2 3.81Å; W124-F366 HydrophobicContact CH2-CE1 4.37Å; W124-F366 HydrophobicContact CZ2-CE1 4.31Å; W124-M367 HydrophobicContact CD2-CE 3.5Å; W124-M367 VanDerWaalsContact CE2-CE 3.46Å; W124-M367 HydrophobicContact CE3-CE 3.99Å; W124-M367 HydrophobicContact CG-CE 3.8Å; W124-M367 HydrophobicContact CH2-CE 4.36Å; W124-M367 HydrophobicContact CH2-CG 4.4Å; W124-M367 HydrophobicContact CZ2-CB 4.01Å; W124-M367 HydrophobicContact CZ2-CE 3.94Å; W124-M367 HydrophobicContact CZ2-CG 3.62Å; W124-M367 HydrophobicContact CZ3-CE 4.37Å; W124-M367 PolarHBondContact NE1-O 3.09Å; W124-V370 HydrophobicContact CZ2-CB 4.46Å; W124-V370 HydrophobicContact CZ2-CG1 4.14Å; W124-S580 WeakPolarHBondContact CA-O 3.47Å; W124-L582 WeakPolarHBondContact O-CB 3.3Å
125K92.6Very high91.4Very high41 Ų4141.4 Ų41.418%0.17822%0.223CC..PPolyproline II helixtrans-61.8147.2156.2-67.8-165.5-175.8-175.60108.6F127 D579 S580 L582 E603K125-F127 PolarHBondContact O-N 3.42Å; K125-D579 WeakPolarHBondContact CD-O 3.48Å; K125-S580 PolarHBondContact N-O 2.79Å; K125-L582 HydrophobicContact CG-CB 4.08Å; K125-E603 IonicContact NZ-OE1 3.2Å; K125-E603 IonicContact NZ-OE2 2.72Å; K125-E603 PolarHBondContact NZ-OE2 3.07Å
126P91Very high91.3Very high96 Ų9642 Ų4262%0.62323%0.226SC*.PPolyproline II helixtrans-48.3139.7170.1-27.535000111.1G128P126-G128 PolarHBondContact O-N 3.46Å
127F91.3Very high91.1Very high14 Ų1441.9 Ų41.96%0.06123%0.226CC..  trans-73.419.9-171.7-52.9-79.3000113.9W124 K125 C131 V138 L142 A349 V374 R375W124-F127 HydrophobicContact CB-CE1 4.08Å; W124-F127 HydrophobicContact CB-CZ 3.9Å; W124-F127 HydrophobicContact CD2-CE1 4.28Å; W124-F127 HydrophobicContact CD2-CZ 4.02Å; W124-F127 HydrophobicContact CE3-CZ 4.23Å; W124-F127 AromaticContact CG-CE1 3.91Å; W124-F127 HydrophobicContact CG-CE1 3.91Å; W124-F127 AromaticContact CG-CZ 3.9Å; W124-F127 HydrophobicContact CG-CZ 3.9Å; K125-F127 PolarHBondContact O-N 3.42Å; F127-C131 HydrophobicContact CB-CB 3.92Å; F127-C131 PolarHBondContact O-SG 2.7Å; F127-V138 HydrophobicContact CE2-CG1 3.95Å; F127-L142 HydrophobicContact CE1-CD2 4.22Å; F127-L142 HydrophobicContact CE2-CD2 4.44Å; F127-L142 HydrophobicContact CZ-CD1 4.46Å; F127-L142 HydrophobicContact CZ-CD2 3.73Å; F127-L142 HydrophobicContact CZ-CG 4.38Å; F127-A349 HydrophobicContact CE2-CB 4.47Å; F127-V374 HydrophobicContact CB-CG1 3.87Å; F127-V374 HydrophobicContact CD1-CB 4.07Å; F127-V374 HydrophobicContact CD1-CG1 3.87Å; F127-V374 HydrophobicContact CD2-CG1 4.19Å; F127-V374 HydrophobicContact CG-CB 4.4Å; F127-V374 HydrophobicContact CG-CG1 3.7Å; F127-R375 HydrophobicContact CB-CG 4.31Å; F127-R375 VanDerWaalsContact O-CG 3.25Å; F127-R375 WeakPolarHBondContact O-CG 3.44Å
128G85.4Confident91.1Very high41 Ų4139.6 Ų39.642%0.42321%0.214SC..  trans94.7165.3-179.600000113.8P126 L130 C131P126-G128 PolarHBondContact O-N 3.46Å; G128-L130 VanDerWaalsContact C-N 3.31Å; G128-L130 PolarHBondContact O-N 3.2Å; G128-C131 PolarHBondContact O-N 3.39Å
129E80.4Confident91.2Very high187 Ų18738.7 Ų38.787%0.87421%0.21SC*.THydrogen-bonded Turntrans-69.3-27-169.8-63.3-177.8167.900114.2
130L79.4Confident91.1Very high171 Ų17138.7 Ų38.790%0.89521%0.21SC*.THydrogen-bonded Turntrans-85.5-9.9180-61.3176.3000113.1G128G128-L130 VanDerWaalsContact C-N 3.31Å; G128-L130 PolarHBondContact O-N 3.2Å
131C80.6Confident91Very high13 Ų1338 Ų389%0.08821%0.205CC..SBendtrans-83.5142.1176.6-74.10000110.4F127 G128F127-C131 HydrophobicContact CB-CB 3.92Å; F127-C131 PolarHBondContact O-SG 2.7Å; G128-C131 PolarHBondContact O-N 3.39Å
132P79.4Confident91Very high12 Ų1238 Ų388%0.07821%0.205CC..  trans-62.3149.1177.828.9-35.7000109.9A137 V138 N378 D383P132-A137 HydrophobicContact CB-CB 3.57Å; P132-A137 HydrophobicContact CG-CB 3.53Å; P132-V138 VanDerWaalsContact O-CG2 3.31Å; P132-V138 WeakPolarHBondContact O-CG2 3.39Å; P132-N378 VanDerWaalsContact CD-ND2 3.34Å; P132-N378 WeakPolarHBondContact CD-ND2 3.48Å; P132-N378 WeakPolarHBondContact CD-OD1 3.49Å; P132-N378 WeakPolarHBondContact CG-OD1 3.3Å; P132-D383 VanDerWaalsContact CB-OD1 3.25Å; P132-D383 WeakPolarHBondContact CB-OD1 3.44Å
133K84.2Confident91.1Very high141 Ų14137.6 Ų37.661%0.61320%0.203SC*.  trans-108.7-11.8-176.1-62.7-176.5-177177.40112.7D346 G347 D383K133-D346 CarbonylContact O-C 3.53Å; K133-D346 VanDerWaalsContact O-C 3.3Å; K133-G347 WeakPolarHBondContact O-CA 3.33Å; K133-G347 PolarHBondContact O-N 2.78Å; K133-D383 PolarHBondContact N-OD1 2.95Å; K133-D383 VanDerWaalsContact N-OD1 3.14Å
134S90.8Very high91.1Very high28 Ų2837.6 Ų37.620%0.19620%0.203CC..SBendtrans-62.8139.9175.959.90000111.4L136 A137 V138 D383S134-L136 PolarHBondContact O-N 3.16Å; S134-A137 PolarHBondContact O-N 3.22Å; S134-A137 VanDerWaalsContact OG-CB 3.28Å; S134-A137 WeakPolarHBondContact OG-CB 3.45Å; S134-A137 PolarHBondContact OG-N 3.02Å; S134-V138 WeakPolarHBondContact O-CG2 3.12Å; S134-V138 PolarHBondContact O-N 3.27Å; S134-D383 WeakPolarHBondContact CB-OD1 3.43Å; S134-D383 PolarHBondContact N-OD1 2.98Å; S134-D383 PolarHBondContact OG-OD1 3.25Å
135Q94.2Very high91.2Very high22 Ų2237.5 Ų37.510%0.10320%0.202CC..Hα-helixtrans-48.5-44.3174.9178.2176.453.500112.3A139 L259 L310 D311 V343 F344Q135-A139 WeakPolarHBondContact O-CB 3.47Å; Q135-A139 PolarHBondContact O-N 3.12Å; Q135-L259 VanDerWaalsContact OE1-CD2 3.31Å; Q135-L310 HydrophobicContact CG-CD2 4.25Å; Q135-D311 PolarHBondContact NE2-O 3.24Å; Q135-V343 HydrophobicContact CG-CB 4.46Å; Q135-V343 HydrophobicContact CG-CG1 3.96Å; Q135-V343 PolarHBondContact NE2-O 3.09Å; Q135-F344 VanDerWaalsContact CB-O 3.31Å; Q135-F344 WeakPolarHBondContact CB-O 3.41Å; Q135-F344 VanDerWaalsContact CG-O 3.31Å; Q135-F344 WeakPolarHBondContact CG-O 3.48Å; Q135-F344 PolarHBondContact NE2-O 3.47Å
136L94.5Very high91.5Very high13 Ų1335.5 Ų35.57%0.06819%0.194CC..Hα-helixtrans-61.1-54.2-178.7175.154.3000111.4S134 V138 A139 T140 F252 L255 N256 L259S134-L136 PolarHBondContact O-N 3.16Å; L136-V138 PolarHBondContact O-N 2.7Å; L136-A139 PolarHBondContact O-N 3.25Å; L136-T140 WeakPolarHBondContact O-CB 3.39Å; L136-T140 PolarHBondContact O-N 2.87Å; L136-T140 PolarHBondContact O-OG1 3.26Å; L136-F252 HydrophobicContact CD1-CD2 4.32Å; L136-F252 HydrophobicContact CD1-CE2 4.38Å; L136-F252 HydrophobicContact CD2-CD1 4.35Å; L136-F252 HydrophobicContact CD2-CD2 4.42Å; L136-F252 HydrophobicContact CD2-CE1 3.64Å; L136-F252 HydrophobicContact CD2-CE2 3.76Å; L136-F252 HydrophobicContact CD2-CZ 3.32Å; L136-F252 HydrophobicContact CG-CD2 4.04Å; L136-F252 HydrophobicContact CG-CE1 4.29Å; L136-F252 HydrophobicContact CG-CE2 3.61Å; L136-F252 HydrophobicContact CG-CZ 3.76Å; L136-L255 HydrophobicContact CD1-CB 3.51Å; L136-N256 HydrophobicContact CD1-CB 4.23Å; L136-N256 HydrophobicContact CD2-CB 3.79Å; L136-L259 HydrophobicContact CB-CD1 3.8Å; L136-L259 HydrophobicContact CD1-CD1 4.03Å; L136-L259 HydrophobicContact CG-CD1 4.37Å
137A93.9Very high91.8Very high0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-65.4-41.8-178.100000112P132 S134 T140 N141 V380P132-A137 HydrophobicContact CB-CB 3.57Å; P132-A137 HydrophobicContact CG-CB 3.53Å; S134-A137 PolarHBondContact O-N 3.22Å; S134-A137 VanDerWaalsContact OG-CB 3.28Å; S134-A137 WeakPolarHBondContact OG-CB 3.45Å; S134-A137 PolarHBondContact OG-N 3.02Å; A137-T140 PolarHBondContact O-N 3.1Å; A137-N141 WeakPolarHBondContact O-CB 3.33Å; A137-N141 PolarHBondContact O-N 3.34Å; A137-N141 PolarHBondContact O-ND2 3.4Å; A137-N141 VanDerWaalsContact O-ND2 3.09Å; A137-V380 HydrophobicContact CB-CG2 4.34Å
138V95.2Very high92.2Very high7 Ų730.5 Ų30.54%0.04216%0.162CC..Hα-helixtrans-60.4-49.3175.4172.60000110.7F127 P132 S134 L136 T140 N141 L142 V343 G347 A349F127-V138 HydrophobicContact CE2-CG1 3.95Å; P132-V138 VanDerWaalsContact O-CG2 3.31Å; P132-V138 WeakPolarHBondContact O-CG2 3.39Å; S134-V138 WeakPolarHBondContact O-CG2 3.12Å; S134-V138 PolarHBondContact O-N 3.27Å; L136-V138 PolarHBondContact O-N 2.7Å; V138-T140 PolarHBondContact O-N 2.93Å; V138-N141 PolarHBondContact O-N 2.72Å; V138-L142 HydrophobicContact CG1-CD1 3.71Å; V138-L142 HydrophobicContact CG1-CG 4.27Å; V138-L142 WeakPolarHBondContact O-CB 3.21Å; V138-L142 VanDerWaalsContact O-CG 3.26Å; V138-L142 WeakPolarHBondContact O-CG 3.15Å; V138-L142 PolarHBondContact O-N 3.44Å; V138-V343 HydrophobicContact CB-CG1 4.25Å; V138-V343 HydrophobicContact CG1-CG1 3.95Å; V138-G347 WeakPolarHBondContact CG1-O 3.29Å; V138-A349 HydrophobicContact CG1-CB 4.18Å
139A97.2Very high92.8Very high0 Ų028.5 Ų28.50%014%0.142CC..Hα-helixtrans-61.2-43.7179.100000111.8Q135 L136 L142 L143 L255 L308 L310 V343Q135-A139 WeakPolarHBondContact O-CB 3.47Å; Q135-A139 PolarHBondContact O-N 3.12Å; L136-A139 PolarHBondContact O-N 3.25Å; A139-L142 PolarHBondContact O-N 2.86Å; A139-L143 WeakPolarHBondContact O-CG 3.46Å; A139-L143 PolarHBondContact O-N 2.84Å; A139-L255 HydrophobicContact CB-CD1 3.79Å; A139-L308 HydrophobicContact CB-CD1 4.39Å; A139-L308 HydrophobicContact CB-CD2 4.25Å; A139-L310 HydrophobicContact CB-CD2 3.93Å; A139-V343 HydrophobicContact CB-CB 4.49Å; A139-V343 HydrophobicContact CB-CG1 4.46Å; A139-V343 HydrophobicContact CB-CG2 4.15Å
140T96.8Very high93.6Very high0 Ų020.2 Ų20.20%010%0.103CC..Hα-helixtrans-59.9-51.5176-61.50000111.6L136 A137 V138 L142 L143 V144 I251 F252 V380L136-T140 WeakPolarHBondContact O-CB 3.39Å; L136-T140 PolarHBondContact O-N 2.87Å; L136-T140 PolarHBondContact O-OG1 3.26Å; A137-T140 PolarHBondContact O-N 3.1Å; V138-T140 PolarHBondContact O-N 2.93Å; T140-L142 VanDerWaalsContact C-N 3.31Å; T140-L142 PolarHBondContact O-N 3.2Å; T140-L143 PolarHBondContact O-N 3.41Å; T140-L143 VanDerWaalsContact O-N 3.16Å; T140-V144 HydrophobicContact CG2-CG2 4.43Å; T140-V144 WeakPolarHBondContact O-CG2 3.33Å; T140-V144 PolarHBondContact O-N 2.93Å; T140-I251 HydrophobicContact CG2-CB 4.29Å; T140-I251 HydrophobicContact CG2-CG2 4.11Å; T140-F252 HydrophobicContact CG2-CB 4Å; T140-F252 HydrophobicContact CG2-CD2 4.39Å; T140-F252 WeakPolarHBondContact OG1-CA 3.4Å; T140-V380 HydrophobicContact CG2-CB 4.42Å; T140-V380 HydrophobicContact CG2-CG1 3.86Å; T140-V380 HydrophobicContact CG2-CG2 3.61Å
141N96.8Very high94.4Very high1 Ų112.9 Ų12.91%0.0056%0.063CC..Hα-helixtrans-60.7-41.6-179.6-78.2-44.1000111.6A137 V138 V144 S145 V374 N378 W379 V380A137-N141 WeakPolarHBondContact O-CB 3.33Å; A137-N141 PolarHBondContact O-N 3.34Å; A137-N141 PolarHBondContact O-ND2 3.4Å; A137-N141 VanDerWaalsContact O-ND2 3.09Å; V138-N141 PolarHBondContact O-N 2.72Å; N141-V144 PolarHBondContact O-N 3.35Å; N141-S145 WeakPolarHBondContact O-CB 3.33Å; N141-S145 PolarHBondContact O-N 3.46Å; N141-S145 PolarHBondContact O-OG 2.84Å; N141-V374 HydrophobicContact CB-CG1 4.23Å; N141-V374 HydrophobicContact CB-CG2 4.26Å; N141-N378 PolarHBondContact ND2-OD1 2.92Å; N141-W379 WeakPolarHBondContact OD1-CA 3.49Å; N141-W379 PolarHBondContact OD1-N 3.33Å; N141-V380 PolarHBondContact ND2-O 2.85Å; N141-V380 VanDerWaalsContact ND2-O 3.08Å; N141-V380 PolarHBondContact OD1-N 3.32Å
142L97.8Very high95.3Very high0 Ų012.3 Ų12.30%06%0.059CC..Hα-helixtrans-61.6-42.8174.2-74.2172.4000112.5W124 F127 V138 A139 T140 A146 I341 V343 A349 V370 V374W124-L142 HydrophobicContact CE3-CD2 4.4Å; W124-L142 HydrophobicContact CH2-CD2 4.06Å; W124-L142 HydrophobicContact CZ2-CD2 4.31Å; W124-L142 HydrophobicContact CZ3-CD1 4.26Å; W124-L142 HydrophobicContact CZ3-CD2 4.11Å; F127-L142 HydrophobicContact CE1-CD2 4.22Å; F127-L142 HydrophobicContact CE2-CD2 4.44Å; F127-L142 HydrophobicContact CZ-CD1 4.46Å; F127-L142 HydrophobicContact CZ-CD2 3.73Å; F127-L142 HydrophobicContact CZ-CG 4.38Å; V138-L142 HydrophobicContact CG1-CD1 3.71Å; V138-L142 HydrophobicContact CG1-CG 4.27Å; V138-L142 WeakPolarHBondContact O-CB 3.21Å; V138-L142 VanDerWaalsContact O-CG 3.26Å; V138-L142 WeakPolarHBondContact O-CG 3.15Å; V138-L142 PolarHBondContact O-N 3.44Å; A139-L142 PolarHBondContact O-N 2.86Å; T140-L142 VanDerWaalsContact C-N 3.31Å; T140-L142 PolarHBondContact O-N 3.2Å; L142-A146 WeakPolarHBondContact O-CB 3.43Å; L142-A146 PolarHBondContact O-N 3.48Å; L142-I341 HydrophobicContact CD1-CG2 4Å; L142-V343 HydrophobicContact CD1-CG2 3.95Å; L142-A349 HydrophobicContact CD1-CB 3.58Å; L142-V370 HydrophobicContact CD2-CG1 3.57Å; L142-V374 HydrophobicContact CD2-CG2 4.28Å
143L98.3Very high96.1Very high0 Ų012.6 Ų12.60%06%0.06CC..Hα-helixtrans-63.2-45.3176.7-72.9-169.3000111.9A139 T140 A146 C147 V225 L238 I251 L255 F306 L308A139-L143 WeakPolarHBondContact O-CG 3.46Å; A139-L143 PolarHBondContact O-N 2.84Å; T140-L143 PolarHBondContact O-N 3.41Å; T140-L143 VanDerWaalsContact O-N 3.16Å; L143-A146 PolarHBondContact O-N 3.4Å; L143-C147 WeakPolarHBondContact O-CB 3.3Å; L143-C147 PolarHBondContact O-N 2.91Å; L143-C147 PolarHBondContact O-SG 2.94Å; L143-V225 HydrophobicContact CD1-CG1 4.2Å; L143-V225 HydrophobicContact CD2-CG1 4.41Å; L143-V225 HydrophobicContact CD2-CG2 4.04Å; L143-L238 HydrophobicContact CD1-CD1 4.44Å; L143-L238 HydrophobicContact CD1-CD2 4.37Å; L143-L238 HydrophobicContact CD2-CD1 4.41Å; L143-I251 HydrophobicContact CB-CG2 4.05Å; L143-I251 HydrophobicContact CD1-CG2 3.71Å; L143-I251 HydrophobicContact CG-CG2 4.5Å; L143-L255 HydrophobicContact CD1-CD1 3.88Å; L143-L255 HydrophobicContact CD1-CD2 4.17Å; L143-L255 HydrophobicContact CD1-CG 4.27Å; L143-F306 HydrophobicContact CD2-CE2 3.44Å; L143-F306 VanDerWaalsContact CD2-CE2 3.44Å; L143-F306 HydrophobicContact CD2-CZ 3.45Å; L143-F306 VanDerWaalsContact CD2-CZ 3.45Å; L143-L308 HydrophobicContact CD1-CD2 3.91Å; L143-L308 HydrophobicContact CD2-CB 4.39Å; L143-L308 HydrophobicContact CD2-CD2 4.08Å; L143-L308 HydrophobicContact CG-CD2 4.07Å
144V97.8Very high96.6Very high0 Ų09.6 Ų9.60%05%0.051CC..Hα-helixtrans-59.8-53.2177.8175.20000110Y19 T140 N141 A146 C147 R148 L245 P248 I251 W379Y19-V144 HydrophobicContact CE2-CG1 3.8Å; T140-V144 HydrophobicContact CG2-CG2 4.43Å; T140-V144 WeakPolarHBondContact O-CG2 3.33Å; T140-V144 PolarHBondContact O-N 2.93Å; N141-V144 PolarHBondContact O-N 3.35Å; V144-A146 PolarHBondContact O-N 2.96Å; V144-C147 PolarHBondContact O-N 3.05Å; V144-R148 VanDerWaalsContact O-CG 3.3Å; V144-R148 WeakPolarHBondContact O-CG 3.32Å; V144-R148 PolarHBondContact O-N 2.82Å; V144-L245 HydrophobicContact CG1-CD2 4.31Å; V144-P248 HydrophobicContact CG2-CB 4.07Å; V144-P248 HydrophobicContact CG2-CG 4.31Å; V144-I251 HydrophobicContact CG2-CD1 3.74Å; V144-W379 HydrophobicContact CB-CG 4.32Å; V144-W379 HydrophobicContact CG1-CB 4.1Å; V144-W379 HydrophobicContact CG1-CD2 4.08Å; V144-W379 HydrophobicContact CG1-CG 3.55Å
145S98.1Very high96.9Very high0 Ų013.5 Ų13.50%06%0.062CC..Hα-helixtrans-63.9-38.1-179.8-64.20000112.9N141 R148 F149 D373 V374N141-S145 WeakPolarHBondContact O-CB 3.33Å; N141-S145 PolarHBondContact O-N 3.46Å; N141-S145 PolarHBondContact O-OG 2.84Å; S145-R148 PolarHBondContact O-N 2.89Å; S145-F149 PolarHBondContact O-N 3.14Å; S145-D373 WeakPolarHBondContact CA-OD2 3.47Å; S145-D373 VanDerWaalsContact CB-OD2 3.27Å; S145-D373 WeakPolarHBondContact CB-OD2 3.49Å; S145-D373 PolarHBondContact OG-OD2 2.88Å; S145-V374 WeakPolarHBondContact OG-CG2 3.41Å
146A98.5Very high97Very high0 Ų015.6 Ų15.60%07%0.074CC..Hα-helixtrans-64.8-39.4175.200000112.1L142 L143 V144 F149 K150 F306 I341 F366 V370L142-A146 WeakPolarHBondContact O-CB 3.43Å; L142-A146 PolarHBondContact O-N 3.48Å; L143-A146 PolarHBondContact O-N 3.4Å; V144-A146 PolarHBondContact O-N 2.96Å; A146-F149 PolarHBondContact O-N 3.31Å; A146-K150 PolarHBondContact O-N 2.78Å; A146-F306 HydrophobicContact CB-CE1 3.88Å; A146-F306 HydrophobicContact CB-CZ 3.82Å; A146-I341 HydrophobicContact CB-CD1 4.48Å; A146-F366 HydrophobicContact CB-CE2 3.73Å; A146-F366 HydrophobicContact CB-CZ 3.68Å; A146-V370 HydrophobicContact CB-CG2 4.48Å
147C98.3Very high97.1Very high1 Ų117.4 Ų17.41%0.0078%0.08CC..Hα-helixtrans-68.4-38.9175.4-70.10000112.2L143 V144 K150 R151 L238 F239 L245L143-C147 WeakPolarHBondContact O-CB 3.3Å; L143-C147 PolarHBondContact O-N 2.91Å; L143-C147 PolarHBondContact O-SG 2.94Å; V144-C147 PolarHBondContact O-N 3.05Å; C147-K150 WeakPolarHBondContact O-CB 3.48Å; C147-K150 PolarHBondContact O-N 3.38Å; C147-R151 WeakPolarHBondContact O-CG 3.47Å; C147-R151 PolarHBondContact O-N 3.47Å; C147-L238 WeakPolarHBondContact SG-CD1 3.49Å; C147-F239 HydrophobicContact CB-CE1 4.01Å; C147-F239 HydrophobicContact CB-CZ 3.62Å; C147-L245 HydrophobicContact CB-CD1 3.52Å; C147-L245 HydrophobicContact CB-CD2 3.87Å; C147-L245 HydrophobicContact CB-CG 4.3Å
148R98.2Very high97.2Very high3 Ų317.4 Ų17.41%0.0118%0.08CC..Hα-helixtrans-61.2-44172.4-73.116453.371.9-0112A18 Y19 F21 L22 V144 S145 R151 S152 L245 D373A18-R148 PolarHBondContact O-NH1 3.04Å; Y19-R148 VanDerWaalsContact O-CG 3.32Å; Y19-R148 WeakPolarHBondContact O-CG 3.25Å; Y19-R148 PolarHBondContact O-NH1 2.86Å; F21-R148 PolarHBondContact O-NH1 2.74Å; F21-R148 PolarHBondContact O-NH2 2.96Å; F21-R148 VanDerWaalsContact O-NH2 3.08Å; L22-R148 HydrophobicContact CB-CB 4.31Å; L22-R148 PolarHBondContact N-O 3.32Å; V144-R148 VanDerWaalsContact O-CG 3.3Å; V144-R148 WeakPolarHBondContact O-CG 3.32Å; V144-R148 PolarHBondContact O-N 2.82Å; S145-R148 PolarHBondContact O-N 2.89Å; R148-R151 PolarHBondContact O-N 3.09Å; R148-S152 PolarHBondContact O-N 2.79Å; R148-S152 PolarHBondContact O-OG 3.41Å; R148-L245 HydrophobicContact CG-CD2 3.94Å; R148-D373 IonicContact CZ-OD1 3.77Å; R148-D373 IonicContact CZ-OD2 2.76Å; R148-D373 IonicContact NE-OD1 3.92Å; R148-D373 PolarHBondContact NE-OD1 3.14Å; R148-D373 IonicContact NE-OD2 3.52Å; R148-D373 PolarHBondContact NE-OD2 2.67Å; R148-D373 IonicContact NH2-OD1 2.83Å; R148-D373 PolarHBondContact NH2-OD1 3.29Å
149F98.1Very high97.1Very high0 Ų020.6 Ų20.60%09%0.093CC..Hα-helixtrans-59.1-49172.8-179.2-79000111.1L22 S145 A146 R151 S152 L153 L158 Y199 L202 F203 R365 F366 D369 V370L22-F149 HydrophobicContact CD2-CD2 4.02Å; S145-F149 PolarHBondContact O-N 3.14Å; A146-F149 PolarHBondContact O-N 3.31Å; F149-R151 VanDerWaalsContact C-N 3.35Å; F149-R151 PolarHBondContact O-N 2.85Å; F149-S152 PolarHBondContact O-N 3.42Å; F149-L153 HydrophobicContact CE1-CD2 4.41Å; F149-L153 PolarHBondContact O-N 3Å; F149-L158 HydrophobicContact CD2-CD1 4.09Å; F149-L158 HydrophobicContact CE1-CD2 4.37Å; F149-L158 HydrophobicContact CE2-CD1 3.89Å; F149-L158 HydrophobicContact CE2-CD2 3.92Å; F149-L158 HydrophobicContact CZ-CD1 4.48Å; F149-L158 HydrophobicContact CZ-CD2 3.72Å; F149-Y199 HydrophobicContact CZ-CD1 4.5Å; F149-L202 HydrophobicContact CE1-CD1 3.77Å; F149-L202 HydrophobicContact CZ-CD1 4.25Å; F149-F203 AromaticContact CD1-CE2 3.69Å; F149-F203 HydrophobicContact CD1-CE2 3.69Å; F149-F203 AromaticContact CD1-CZ 3.71Å; F149-F203 HydrophobicContact CD1-CZ 3.71Å; F149-F203 AromaticContact CE1-CE2 3.99Å; F149-F203 HydrophobicContact CE1-CE2 3.99Å; F149-F203 HydrophobicContact CE1-CZ 4.33Å; F149-R365 HydrophobicContact CE2-CG 4.37Å; F149-F366 HydrophobicContact CB-CD2 4.33Å; F149-F366 HydrophobicContact CB-CE2 4.49Å; F149-F366 AromaticContact CD1-CD2 3.72Å; F149-F366 HydrophobicContact CD1-CD2 3.72Å; F149-F366 HydrophobicContact CD1-CE2 4.44Å; F149-F366 HydrophobicContact CD2-CD2 4.32Å; F149-F366 HydrophobicContact CE1-CB 4.31Å; F149-F366 HydrophobicContact CE1-CD2 4.06Å; F149-F366 HydrophobicContact CE2-CB 4.35Å; F149-F366 AromaticContact CG-CD2 3.86Å; F149-F366 HydrophobicContact CG-CD2 3.86Å; F149-F366 HydrophobicContact CG-CE2 4.48Å; F149-F366 HydrophobicContact CZ-CB 4.09Å; F149-F366 HydrophobicContact CZ-CD2 4.49Å; F149-D369 HydrophobicContact CD2-CB 3.69Å; F149-D369 HydrophobicContact CE2-CB 3.9Å; F149-D369 WeakPolarHBondContact CE2-OD2 3.46Å; F149-V370 HydrophobicContact CB-CG2 4.45Å
150K97.6Very high97Very high12 Ų1221.2 Ų21.25%0.05210%0.098CC..Hα-helixtrans-56-48.7177.6173.7173.5168.138.60111.6A146 C147 L153 D154 F203 N204 F239 L305A146-K150 PolarHBondContact O-N 2.78Å; C147-K150 WeakPolarHBondContact O-CB 3.48Å; C147-K150 PolarHBondContact O-N 3.38Å; K150-L153 WeakPolarHBondContact O-CB 3.31Å; K150-L153 PolarHBondContact O-N 3.35Å; K150-D154 WeakPolarHBondContact CG-OD2 3.4Å; K150-D154 IonicContact NZ-OD1 3.94Å; K150-D154 IonicContact NZ-OD2 3.03Å; K150-D154 PolarHBondContact NZ-OD2 2.9Å; K150-D154 VanDerWaalsContact O-CG 3.32Å; K150-D154 PolarHBondContact O-N 3.05Å; K150-F203 HydrophobicContact CB-CD1 4.08Å; K150-F203 HydrophobicContact CB-CD2 3.93Å; K150-F203 HydrophobicContact CB-CE1 3.89Å; K150-F203 HydrophobicContact CB-CE2 3.74Å; K150-F203 HydrophobicContact CB-CG 4.11Å; K150-F203 HydrophobicContact CB-CZ 3.72Å; K150-F203 HydrophobicContact CD-CB 3.94Å; K150-F203 HydrophobicContact CD-CD1 3.92Å; K150-F203 HydrophobicContact CD-CD2 4.26Å; K150-F203 HydrophobicContact CD-CG 3.77Å; K150-F203 HydrophobicContact CG-CB 4.48Å; K150-F203 HydrophobicContact CG-CD1 4.31Å; K150-F203 HydrophobicContact CG-CD2 3.94Å; K150-F203 HydrophobicContact CG-CE2 4.26Å; K150-F203 HydrophobicContact CG-CG 3.98Å; K150-N204 WeakPolarHBondContact CE-OD1 3.43Å; K150-N204 PolarHBondContact NZ-OD1 2.88Å; K150-F239 HydrophobicContact CD-CE2 4.25Å; K150-F239 HydrophobicContact CD-CZ 4.34Å; K150-L305 HydrophobicContact CD-CD2 3.54Å
151R97.1Very high96.8Very high18 Ų1823 Ų237%0.06811%0.106CC..Hα-helixtrans-61.6-44.8178.5-74.5-176.157.377.3-0.1111.2Q20 F21 C147 R148 F149 L153 D154 Y155 F239 G243Q20-R151 WeakPolarHBondContact O-CB 3.42Å; Q20-R151 WeakPolarHBondContact O-CD 3.5Å; Q20-R151 PolarHBondContact O-NE 2.56Å; Q20-R151 VanDerWaalsContact OE1-CZ 3.25Å; F21-R151 HydrophobicContact CD1-CB 3.8Å; F21-R151 HydrophobicContact CE1-CB 3.89Å; F21-R151 VanDerWaalsContact CZ-NH2 3.25Å; C147-R151 WeakPolarHBondContact O-CG 3.47Å; C147-R151 PolarHBondContact O-N 3.47Å; R148-R151 PolarHBondContact O-N 3.09Å; F149-R151 VanDerWaalsContact C-N 3.35Å; F149-R151 PolarHBondContact O-N 2.85Å; R151-L153 VanDerWaalsContact C-N 3.27Å; R151-L153 PolarHBondContact O-N 3.38Å; R151-D154 PolarHBondContact O-N 3.23Å; R151-Y155 WeakPolarHBondContact O-CB 3.37Å; R151-Y155 VanDerWaalsContact O-CD2 3.29Å; R151-Y155 WeakPolarHBondContact O-CD2 3.16Å; R151-Y155 PolarHBondContact O-N 3.13Å; R151-F239 HydrophobicContact CG-CE1 3.66Å; R151-F239 HydrophobicContact CG-CZ 4.2Å; R151-G243 PolarHBondContact NH1-O 3.42Å
152S97.7Very high96.5Very high0 Ų023.9 Ų23.90%011%0.111CC..Hα-helixtrans-60.3-37.9175.3-74.50000112.2L22 E23 R148 F149 N156 Y157 L158L22-S152 PolarHBondContact N-OG 3.07Å; E23-S152 PolarHBondContact N-OG 3.07Å; E23-S152 PolarHBondContact O-OG 2.88Å; R148-S152 PolarHBondContact O-N 2.79Å; R148-S152 PolarHBondContact O-OG 3.41Å; F149-S152 PolarHBondContact O-N 3.42Å; S152-N156 PolarHBondContact O-N 3.43Å; S152-Y157 CarbonylContact O-C 3.58Å; S152-Y157 WeakPolarHBondContact O-CA 3.47Å; S152-Y157 PolarHBondContact O-N 3.36Å; S152-L158 PolarHBondContact O-N 3.33Å
153L97Very high96Very high18 Ų1830.5 Ų30.59%0.09414%0.137CC..Hα-helixtrans-65.4-51.6174.5178.863.6000112.1T29 F149 K150 R151 Y155 N156 L158 Y199 F203T29-L153 HydrophobicContact CG2-CD1 4.12Å; F149-L153 HydrophobicContact CE1-CD2 4.41Å; F149-L153 PolarHBondContact O-N 3Å; K150-L153 WeakPolarHBondContact O-CB 3.31Å; K150-L153 PolarHBondContact O-N 3.35Å; R151-L153 VanDerWaalsContact C-N 3.27Å; R151-L153 PolarHBondContact O-N 3.38Å; L153-Y155 VanDerWaalsContact C-N 3.33Å; L153-Y155 PolarHBondContact O-N 3.34Å; L153-N156 PolarHBondContact O-N 3.38Å; L153-L158 HydrophobicContact CD1-CD2 4.25Å; L153-Y199 HydrophobicContact CD1-CD1 4.45Å; L153-F203 HydrophobicContact CD2-CD2 4.36Å; L153-F203 HydrophobicContact CD2-CE2 4.31Å
154D95.5Very high95.3Very high78 Ų7832.1 Ų32.142%0.41714%0.144SC..Hα-helixtrans-63.6-37.1-175.1-69.7-22.2000112.4K150 R151 N156K150-D154 WeakPolarHBondContact CG-OD2 3.4Å; K150-D154 IonicContact NZ-OD1 3.94Å; K150-D154 IonicContact NZ-OD2 3.03Å; K150-D154 PolarHBondContact NZ-OD2 2.9Å; K150-D154 VanDerWaalsContact O-CG 3.32Å; K150-D154 PolarHBondContact O-N 3.05Å; R151-D154 PolarHBondContact O-N 3.23Å; D154-N156 VanDerWaalsContact C-N 3.29Å; D154-N156 PolarHBondContact O-N 3.1Å
155Y95.9Very high94.3Very high110 Ų11036.9 Ų36.943%0.43117%0.168SC..THydrogen-bonded Turntrans-87.17.5-179.9-74.7-102.6000113.5F21 R151 L153 Y157F21-Y155 HydrophobicContact CE1-CD1 4.37Å; F21-Y155 AromaticContact CE1-CD2 3.69Å; F21-Y155 HydrophobicContact CE1-CD2 3.69Å; F21-Y155 HydrophobicContact CE1-CE2 4.25Å; F21-Y155 AromaticContact CE1-CG 3.74Å; F21-Y155 HydrophobicContact CE1-CG 3.74Å; F21-Y155 HydrophobicContact CZ-CD1 4.25Å; F21-Y155 HydrophobicContact CZ-CD2 4.22Å; F21-Y155 HydrophobicContact CZ-CE2 4.49Å; F21-Y155 HydrophobicContact CZ-CG 4.07Å; R151-Y155 WeakPolarHBondContact O-CB 3.37Å; R151-Y155 VanDerWaalsContact O-CD2 3.29Å; R151-Y155 WeakPolarHBondContact O-CD2 3.16Å; R151-Y155 PolarHBondContact O-N 3.13Å; L153-Y155 VanDerWaalsContact C-N 3.33Å; L153-Y155 PolarHBondContact O-N 3.34Å; Y155-Y157 WeakPolarHBondContact O-CD1 3.31Å; Y155-Y157 WeakPolarHBondContact O-CE1 3.41Å; Y155-Y157 PolarHBondContact O-N 2.83Å
156N96.2Very high93.3Very high67 Ų6739.9 Ų39.936%0.35819%0.185SC..THydrogen-bonded Turntrans57.729.3-174.6-67.5-79.5000114.3P28 T29 S152 L153 D154P28-N156 WeakPolarHBondContact CA-O 3.45Å; P28-N156 HydrophobicContact CB-CB 4.27Å; T29-N156 PolarHBondContact N-O 2.93Å; T29-N156 WeakPolarHBondContact OG1-CA 3.36Å; T29-N156 PolarHBondContact OG1-O 2.99Å; S152-N156 PolarHBondContact O-N 3.43Å; L153-N156 PolarHBondContact O-N 3.38Å; D154-N156 VanDerWaalsContact C-N 3.29Å; D154-N156 PolarHBondContact O-N 3.1Å
157Y96.8Very high92.2Very high51 Ų5143.1 Ų43.120%0.221%0.205CC..  trans-94.6-15.2-179.7-74.50.7000113F21 E23 R24 S25 S152 Y155F21-Y157 AromaticContact CD1-CD2 3.65Å; F21-Y157 HydrophobicContact CD1-CD2 3.65Å; F21-Y157 HydrophobicContact CD1-CE2 4.24Å; F21-Y157 HydrophobicContact CD2-CD2 4.09Å; F21-Y157 HydrophobicContact CD2-CE2 4.14Å; F21-Y157 AromaticContact CE1-CD2 3.72Å; F21-Y157 HydrophobicContact CE1-CD2 3.72Å; F21-Y157 AromaticContact CE1-CE2 3.92Å; F21-Y157 HydrophobicContact CE1-CE2 3.92Å; F21-Y157 HydrophobicContact CE2-CD2 4.15Å; F21-Y157 AromaticContact CE2-CE2 3.82Å; F21-Y157 HydrophobicContact CE2-CE2 3.82Å; F21-Y157 AromaticContact CG-CD2 3.84Å; F21-Y157 HydrophobicContact CG-CD2 3.84Å; F21-Y157 HydrophobicContact CG-CE2 4.34Å; F21-Y157 AromaticContact CZ-CD2 3.97Å; F21-Y157 HydrophobicContact CZ-CD2 3.97Å; F21-Y157 AromaticContact CZ-CE2 3.69Å; F21-Y157 HydrophobicContact CZ-CE2 3.69Å; E23-Y157 WeakPolarHBondContact O-CB 3.23Å; R24-Y157 HydrophobicContact CB-CD2 4.29Å; R24-Y157 HydrophobicContact CB-CG 4.4Å; R24-Y157 HydrophobicContact CG-CD1 4.08Å; R24-Y157 HydrophobicContact CG-CD2 3.83Å; R24-Y157 HydrophobicContact CG-CE1 4.28Å; R24-Y157 HydrophobicContact CG-CE2 4.03Å; R24-Y157 HydrophobicContact CG-CG 3.88Å; R24-Y157 VanDerWaalsContact CZ-OH 3.26Å; R24-Y157 PolarHBondContact NH2-OH 3.29Å; R24-Y157 VanDerWaalsContact NH2-OH 3.08Å; S25-Y157 WeakPolarHBondContact CB-O 3.46Å; S25-Y157 PolarHBondContact N-O 3.34Å; S152-Y157 CarbonylContact O-C 3.58Å; S152-Y157 WeakPolarHBondContact O-CA 3.47Å; S152-Y157 PolarHBondContact O-N 3.36Å; Y155-Y157 WeakPolarHBondContact O-CD1 3.31Å; Y155-Y157 WeakPolarHBondContact O-CE1 3.41Å; Y155-Y157 PolarHBondContact O-N 2.83Å
158L96.3Very high91.2Very high0 Ų052.2 Ų52.20%025%0.245CC..SBendtrans-67.6136.6172.6-166.574.4000110L22 E23 T29 F149 S152 L153 M196L22-L158 HydrophobicContact CD2-CD1 3.96Å; E23-L158 HydrophobicContact CG-CD1 4.43Å; E23-L158 WeakPolarHBondContact OE1-CA 3.33Å; E23-L158 WeakPolarHBondContact OE1-CD1 3.49Å; T29-L158 VanDerWaalsContact CA-O 3.22Å; T29-L158 WeakPolarHBondContact CA-O 3.46Å; T29-L158 VanDerWaalsContact CB-O 3.27Å; T29-L158 WeakPolarHBondContact CB-O 3.41Å; T29-L158 HydrophobicContact CG2-CB 3.97Å; T29-L158 HydrophobicContact CG2-CD2 4.42Å; T29-L158 PolarHBondContact OG1-N 3.12Å; T29-L158 VanDerWaalsContact OG1-N 3.15Å; T29-L158 PolarHBondContact OG1-O 3.1Å; F149-L158 HydrophobicContact CD2-CD1 4.09Å; F149-L158 HydrophobicContact CE1-CD2 4.37Å; F149-L158 HydrophobicContact CE2-CD1 3.89Å; F149-L158 HydrophobicContact CE2-CD2 3.92Å; F149-L158 HydrophobicContact CZ-CD1 4.48Å; F149-L158 HydrophobicContact CZ-CD2 3.72Å; S152-L158 PolarHBondContact O-N 3.33Å; L153-L158 HydrophobicContact CD1-CD2 4.25Å; L158-M196 HydrophobicContact CD2-CE 4.23Å
159K94.2Very high90.1Very high73 Ų7358.7 Ų58.732%0.31727%0.273SS..PPolyproline II helixtrans-60.2134.8174.8-72.7-177.7-177.3-154.60110.3E23 E176 R365E23-K159 WeakPolarHBondContact OE1-CB 3.49Å; E23-K159 WeakPolarHBondContact OE1-CG 3.38Å; E23-K159 PolarHBondContact OE1-N 3.31Å; K159-E176 WeakPolarHBondContact CE-OE1 3.28Å; K159-E176 IonicContact NZ-OE1 3.96Å; K159-E176 PolarHBondContact NZ-OE1 3.14Å; K159-E176 IonicContact NZ-OE2 3.9Å; K159-R365 PolarHBondContact O-NH1 2.9Å; K159-R365 VanDerWaalsContact O-NH1 3.14Å; K159-R365 PolarHBondContact O-NH2 3.36Å
160P94.1Very high89.1Confident14 Ų1458.7 Ų58.79%0.09127%0.273CS..PPolyproline II helixtrans-54.1143.1173.5-24.633000111.6I27 P28 F32 I162I27-P160 HydrophobicContact CB-CG 4.1Å; I27-P160 HydrophobicContact CG2-CG 3.69Å; P28-P160 WeakPolarHBondContact O-CG 3.47Å; F32-P160 HydrophobicContact CD2-CB 3.71Å; F32-P160 HydrophobicContact CD2-CG 4.15Å; F32-P160 HydrophobicContact CE2-CB 3.81Å; F32-P160 HydrophobicContact CE2-CG 3.97Å; P160-I162 HydrophobicContact CB-CG1 4.41Å; P160-I162 PolarHBondContact O-N 2.98Å
161E93Very high88.2Confident37 Ų3762.3 Ų62.317%0.17329%0.293CS..PPolyproline II helixtrans-73.7120.6175.5-16662.5-125.800109.9P193 L194 M196 Y199 R365E161-P193 WeakPolarHBondContact O-CA 3.45Å; E161-L194 HydrophobicContact CB-CB 4.19Å; E161-L194 HydrophobicContact CG-CB 4.03Å; E161-L194 HydrophobicContact CG-CD1 3.79Å; E161-L194 HydrophobicContact CG-CG 4.14Å; E161-L194 PolarHBondContact O-N 2.76Å; E161-M196 HydrophobicContact CB-CE 4.17Å; E161-M196 HydrophobicContact CB-CG 3.91Å; E161-M196 HydrophobicContact CB-SD 3.83Å; E161-M196 PolarHBondContact N-SD 3.29Å; E161-Y199 PolarHBondContact OE2-OH 2.82Å; E161-Y199 VanDerWaalsContact OE2-OH 3.11Å; E161-R365 VanDerWaalsContact OE2-CD 3.24Å; E161-R365 WeakPolarHBondContact OE2-CD 3.25Å; E161-R365 WeakPolarHBondContact OE2-CG 3.43Å; E161-R365 IonicContact OE2-CZ 3.15Å; E161-R365 IonicContact OE2-NE 3.41Å; E161-R365 IonicContact OE2-NH1 2.81Å; E161-R365 PolarHBondContact OE2-NH1 3.25Å
162I90.7Very high87.3Confident20 Ų2063.4 Ų63.410%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-135.8125.7-177-57.8175.3000108.9F32 P160 H164 L179 A191F32-I162 HydrophobicContact CE2-CD1 3.79Å; F32-I162 HydrophobicContact CE2-CG1 4.31Å; F32-I162 HydrophobicContact CZ-CD1 4.3Å; P160-I162 HydrophobicContact CB-CG1 4.41Å; P160-I162 PolarHBondContact O-N 2.98Å; I162-H164 WeakPolarHBondContact CB-NE2 3.37Å; I162-H164 WeakPolarHBondContact CG2-NE2 3.35Å; I162-H164 PolarHBondContact O-CD2 3.31Å; I162-H164 PolarHBondContact O-N 2.9Å; I162-L179 HydrophobicContact CD1-CD1 4.07Å; I162-A191 HydrophobicContact CG2-CB 3.8Å
163Y86.4Confident86.5Confident139 Ų13968.4 Ų68.455%0.54533%0.334SS..EExtended strand (participates in β ladder)trans-81.9116.5168.3178.7-104.4000110.3I165 A191 F192Y163-I165 HydrophobicContact CD1-CG1 4.38Å; Y163-I165 HydrophobicContact CE1-CG1 3.79Å; Y163-A191 WeakPolarHBondContact O-CA 3.49Å; Y163-F192 HydrophobicContact CD1-CD2 4.14Å; Y163-F192 PolarHBondContact N-O 3.09Å; Y163-F192 PolarHBondContact O-N 2.55Å
164H83.9Confident85.8Confident34 Ų3476.1 Ų76.116%0.15737%0.367CS..EExtended strand (participates in β ladder)trans-100.8113.3179.1-61.3-91000110.4I162 N166 P167 S170I162-H164 WeakPolarHBondContact CB-NE2 3.37Å; I162-H164 WeakPolarHBondContact CG2-NE2 3.35Å; I162-H164 PolarHBondContact O-CD2 3.31Å; I162-H164 PolarHBondContact O-N 2.9Å; H164-N166 PolarHBondContact O-N 3.14Å; H164-P167 HydrophobicContact CB-CB 4.23Å; H164-P167 HydrophobicContact CB-CG 3.94Å; H164-P167 WeakPolarHBondContact O-CD 2.85Å; H164-S170 WeakPolarHBondContact CB-OG 3.32Å; H164-S170 PolarHBondContact CE1-O 2.98Å; H164-S170 VanDerWaalsContact ND1-C 3.28Å; H164-S170 WeakPolarHBondContact ND1-CB 3.37Å; H164-S170 PolarHBondContact ND1-O 2.88Å; H164-S170 VanDerWaalsContact ND1-O 3.1Å; H164-S170 PolarHBondContact ND1-OG 3.19Å
165I77.2Confident85Confident99 Ų9973.1 Ų73.151%0.50835%0.351SS..SBendtrans-61.9-35.4173.2-68.5-179.7000110.8Y163 S190 F192Y163-I165 HydrophobicContact CD1-CG1 4.38Å; Y163-I165 HydrophobicContact CE1-CG1 3.79Å; I165-S190 PolarHBondContact N-O 3.2Å; I165-S190 VanDerWaalsContact N-O 3.1Å; I165-F192 HydrophobicContact CD1-CE2 3.59Å; I165-F192 HydrophobicContact CD1-CZ 4.34Å; I165-F192 HydrophobicContact CG1-CE2 4.03Å
166N77Confident84.1Confident64 Ų6469.7 Ų69.734%0.34234%0.338SS..SBendtrans-134.186.1175.8-170.5-15000109.9H164 K168 K169 S170H164-N166 PolarHBondContact O-N 3.14Å; N166-K168 PolarHBondContact O-N 3.25Å; N166-K168 VanDerWaalsContact O-N 3.14Å; N166-K168 PolarHBondContact OD1-N 3.33Å; N166-K169 HydrophobicContact CB-CB 4.46Å; N166-K169 PolarHBondContact O-N 3.34Å; N166-S170 PolarHBondContact O-N 3.14Å; N166-S170 VanDerWaalsContact O-N 3.09Å; N166-S170 PolarHBondContact O-OG 3.1Å; N166-S170 VanDerWaalsContact O-OG 3.14Å
167P76.1Confident83.3Confident67 Ų6773.5 Ų73.544%0.43535%0.352SS..Hα-helixtrans-53.2-36.5-178.5-24.331.7000112.5H164 K169 S170 D171H164-P167 HydrophobicContact CB-CB 4.23Å; H164-P167 HydrophobicContact CB-CG 3.94Å; H164-P167 WeakPolarHBondContact O-CD 2.85Å; P167-K169 PolarHBondContact O-N 2.83Å; P167-S170 PolarHBondContact O-N 2.99Å; P167-D171 HydrophobicContact CB-CB 4.11Å; P167-D171 WeakPolarHBondContact O-CA 3.16Å; P167-D171 WeakPolarHBondContact O-CB 3.44Å; P167-D171 PolarHBondContact O-N 3.1Å
168K77.2Confident82.5Confident192 Ų19274.2 Ų74.284%0.83536%0.361SS*.Hα-helixtrans-58.5-22.4177.4-60.1-174178.5-175.80114N166N166-K168 PolarHBondContact O-N 3.25Å; N166-K168 VanDerWaalsContact O-N 3.14Å; N166-K168 PolarHBondContact OD1-N 3.33Å
169K74.4Confident81.6Confident139 Ų13974.2 Ų74.260%0.60436%0.361SS*.Hα-helixtrans-104-32.4178.6-69.2-172178.4-176.80113.4N166 P167N166-K169 HydrophobicContact CB-CB 4.46Å; N166-K169 PolarHBondContact O-N 3.34Å; P167-K169 PolarHBondContact O-N 2.83Å
170S76.3Confident80.5Confident1 Ų172.6 Ų72.61%0.00736%0.359CS..Hα-helixtrans-116.8-5.4-171.356.50000114.4H164 N166 P167 F175H164-S170 WeakPolarHBondContact CB-OG 3.32Å; H164-S170 PolarHBondContact CE1-O 2.98Å; H164-S170 VanDerWaalsContact ND1-C 3.28Å; H164-S170 WeakPolarHBondContact ND1-CB 3.37Å; H164-S170 PolarHBondContact ND1-O 2.88Å; H164-S170 VanDerWaalsContact ND1-O 3.1Å; H164-S170 PolarHBondContact ND1-OG 3.19Å; N166-S170 PolarHBondContact O-N 3.14Å; N166-S170 VanDerWaalsContact O-N 3.09Å; N166-S170 PolarHBondContact O-OG 3.1Å; N166-S170 VanDerWaalsContact O-OG 3.14Å; P167-S170 PolarHBondContact O-N 2.99Å; S170-F175 WeakPolarHBondContact O-CD1 3.27Å; S170-F175 WeakPolarHBondContact O-CE1 3.43Å; S170-F175 WeakPolarHBondContact O-CG 3.41Å
171D78.3Confident79.4Confident87 Ų8778.9 Ų78.947%0.46539%0.391SS..SBendtrans-111.773.5172-174.217.2000108.5P167P167-D171 HydrophobicContact CB-CB 4.11Å; P167-D171 WeakPolarHBondContact O-CA 3.16Å; P167-D171 WeakPolarHBondContact O-CB 3.44Å; P167-D171 PolarHBondContact O-N 3.1Å
172T79.7Confident78.4Confident41 Ų4178.7 Ų78.725%0.25240%0.396SS..SBendtrans-140.9149.7-17868.50000110.5K174 F175 E176T172-K174 PolarHBondContact O-N 2.7Å; T172-K174 VanDerWaalsContact O-N 3.15Å; T172-F175 WeakPolarHBondContact O-CA 3.31Å; T172-F175 WeakPolarHBondContact O-CB 3.26Å; T172-F175 PolarHBondContact O-N 3.35Å; T172-F175 WeakPolarHBondContact OG1-CB 3.47Å; T172-F175 PolarHBondContact OG1-N 2.96Å; T172-E176 PolarHBondContact O-N 3.41Å
173P80.3Confident77.3Confident106 Ų10682.7 Ų82.769%0.68841%0.41SS*.Hα-helixtrans-57-34178-27.134.5000113.6F175 K177P173-F175 VanDerWaalsContact C-N 3.35Å; P173-K177 PolarHBondContact O-N 3.3Å; P173-K177 VanDerWaalsContact O-N 3.1Å
174K81.3Confident76.2Confident179 Ų17981 Ų8178%0.77841%0.409SS*.Hα-helixtrans-63.9-41.2174.6-71.9-176.8-179.8178.30111.6T172 V178T172-K174 PolarHBondContact O-N 2.7Å; T172-K174 VanDerWaalsContact O-N 3.15Å; K174-V178 WeakPolarHBondContact O-CG2 3.37Å; K174-V178 PolarHBondContact O-N 3.42Å
175F79.9Confident75.3Confident16 Ų1684.1 Ų84.17%0.0742%0.423CS..Hα-helixtrans-70.2-41.9178.5-178.4-101.8000111.8S170 T172 P173 K177 V178 L179 R189 A191S170-F175 WeakPolarHBondContact O-CD1 3.27Å; S170-F175 WeakPolarHBondContact O-CE1 3.43Å; S170-F175 WeakPolarHBondContact O-CG 3.41Å; T172-F175 WeakPolarHBondContact O-CA 3.31Å; T172-F175 WeakPolarHBondContact O-CB 3.26Å; T172-F175 PolarHBondContact O-N 3.35Å; T172-F175 WeakPolarHBondContact OG1-CB 3.47Å; T172-F175 PolarHBondContact OG1-N 2.96Å; P173-F175 VanDerWaalsContact C-N 3.35Å; F175-K177 VanDerWaalsContact C-N 3.3Å; F175-K177 PolarHBondContact O-N 3.33Å; F175-V178 PolarHBondContact O-N 3.04Å; F175-V178 VanDerWaalsContact O-N 3.09Å; F175-L179 HydrophobicContact CD1-CD1 3.55Å; F175-L179 HydrophobicContact CD1-CG 3.88Å; F175-L179 HydrophobicContact CE1-CD1 3.07Å; F175-L179 HydrophobicContact CE1-CD2 4.2Å; F175-L179 HydrophobicContact CE1-CG 3.6Å; F175-L179 HydrophobicContact CE2-CD2 4.32Å; F175-L179 HydrophobicContact CE2-CG 4.22Å; F175-L179 HydrophobicContact CG-CG 4.44Å; F175-L179 HydrophobicContact CZ-CD1 3.63Å; F175-L179 HydrophobicContact CZ-CD2 3.88Å; F175-L179 HydrophobicContact CZ-CG 3.76Å; F175-L179 PolarHBondContact O-N 3.14Å; F175-R189 HydrophobicContact CE2-CB 3.64Å; F175-R189 HydrophobicContact CE2-CG 3.9Å; F175-R189 HydrophobicContact CZ-CB 4.13Å; F175-A191 HydrophobicContact CE1-CB 4.14Å; F175-A191 HydrophobicContact CZ-CB 3.88Å
176E77.7Confident74.7Confident37 Ų3779.5 Ų79.517%0.17340%0.4CS..Hα-helixtrans-56.5-44.7174.3-68.5179.616300111.4I26 I27 K159 T172 V178 L179 S180I26-E176 HydrophobicContact CD1-CB 4.05Å; I26-E176 HydrophobicContact CG1-CB 4.48Å; I27-E176 HydrophobicContact CD1-CB 4.32Å; K159-E176 WeakPolarHBondContact CE-OE1 3.28Å; K159-E176 IonicContact NZ-OE1 3.96Å; K159-E176 PolarHBondContact NZ-OE1 3.14Å; K159-E176 IonicContact NZ-OE2 3.9Å; T172-E176 PolarHBondContact O-N 3.41Å; E176-V178 VanDerWaalsContact C-N 3.29Å; E176-V178 PolarHBondContact O-N 3.15Å; E176-L179 PolarHBondContact O-N 3.48Å; E176-S180 PolarHBondContact O-N 2.98Å
177K79.4Confident74Confident148 Ų14879.9 Ų79.964%0.64341%0.411SS*.Hα-helixtrans-64.2-30.2177.1-168.7175.9-176.4177.20113.6I26 P173 F175 S180I26-K177 HydrophobicContact CD1-CB 4.43Å; P173-K177 PolarHBondContact O-N 3.3Å; P173-K177 VanDerWaalsContact O-N 3.1Å; F175-K177 VanDerWaalsContact C-N 3.3Å; F175-K177 PolarHBondContact O-N 3.33Å; K177-S180 PolarHBondContact O-OG 2.9Å
178V78.7Confident73.4Confident65 Ų6584.7 Ų84.739%0.39443%0.426SS..Hα-helixtrans-76.9-43.6174.5171.80000110.4K174 F175 E176 S180 L181 A182 F185K174-V178 WeakPolarHBondContact O-CG2 3.37Å; K174-V178 PolarHBondContact O-N 3.42Å; F175-V178 PolarHBondContact O-N 3.04Å; F175-V178 VanDerWaalsContact O-N 3.09Å; E176-V178 VanDerWaalsContact C-N 3.29Å; E176-V178 PolarHBondContact O-N 3.15Å; V178-S180 VanDerWaalsContact C-N 3.3Å; V178-S180 PolarHBondContact O-N 2.85Å; V178-L181 PolarHBondContact O-N 3.49Å; V178-L181 VanDerWaalsContact O-N 3.08Å; V178-A182 PolarHBondContact O-N 2.71Å; V178-F185 HydrophobicContact CG1-CB 4.3Å; V178-F185 HydrophobicContact CG1-CD1 4.27Å; V178-F185 HydrophobicContact CG1-CD2 4.39Å; V178-F185 HydrophobicContact CG1-CG 4.07Å
179L77Confident72.9Confident1 Ų182.7 Ų82.71%0.00541%0.413CS..Hα-helixtrans-62.6-36178.1-78.9-172.8000113I27 F32 I162 F175 E176 L181 A182 F185 A186I27-L179 HydrophobicContact CD1-CB 3.74Å; I27-L179 HydrophobicContact CD1-CD1 4.46Å; F32-L179 HydrophobicContact CZ-CB 4.4Å; F32-L179 HydrophobicContact CZ-CD1 4.06Å; I162-L179 HydrophobicContact CD1-CD1 4.07Å; F175-L179 HydrophobicContact CD1-CD1 3.55Å; F175-L179 HydrophobicContact CD1-CG 3.88Å; F175-L179 HydrophobicContact CE1-CD1 3.07Å; F175-L179 HydrophobicContact CE1-CD2 4.2Å; F175-L179 HydrophobicContact CE1-CG 3.6Å; F175-L179 HydrophobicContact CE2-CD2 4.32Å; F175-L179 HydrophobicContact CE2-CG 4.22Å; F175-L179 HydrophobicContact CG-CG 4.44Å; F175-L179 HydrophobicContact CZ-CD1 3.63Å; F175-L179 HydrophobicContact CZ-CD2 3.88Å; F175-L179 HydrophobicContact CZ-CG 3.76Å; F175-L179 PolarHBondContact O-N 3.14Å; E176-L179 PolarHBondContact O-N 3.48Å; L179-L181 PolarHBondContact O-N 3.36Å; L179-A182 CarbonylContact O-C 3.4Å; L179-A182 PolarHBondContact O-N 3.01Å; L179-F185 HydrophobicContact CD2-CB 4.2Å; L179-A186 HydrophobicContact CD2-CB 3.69Å; L179-A186 VanDerWaalsContact CD2-N 3.35Å
180S72.1Confident73Confident39 Ų3978.7 Ų78.727%0.27340%0.402SS..THydrogen-bonded Turntrans-61.2-24175.668.30000112.7Y31 E176 K177 V178Y31-S180 PolarHBondContact OH-O 3.01Å; E176-S180 PolarHBondContact O-N 2.98Å; K177-S180 PolarHBondContact O-OG 2.9Å; V178-S180 VanDerWaalsContact C-N 3.3Å; V178-S180 PolarHBondContact O-N 2.85Å
181L71.2Confident73.3Confident146 Ų14678.6 Ų78.676%0.76440%0.402SS*.THydrogen-bonded Turntrans-96.5-30.6178.5-64.7172.9000113V178 L179V178-L181 PolarHBondContact O-N 3.49Å; V178-L181 VanDerWaalsContact O-N 3.08Å; L179-L181 PolarHBondContact O-N 3.36Å
182A72Confident73.7Confident33 Ų3378.6 Ų78.627%0.27340%0.398SS..  trans-151.589.1-173.600000112.3V178 L179 L184 F185V178-A182 PolarHBondContact O-N 2.71Å; L179-A182 CarbonylContact O-C 3.4Å; L179-A182 PolarHBondContact O-N 3.01Å; A182-L184 PolarHBondContact O-N 3.04Å; A182-L184 VanDerWaalsContact O-N 3.1Å; A182-F185 HydrophobicContact CB-CD2 3.41Å; A182-F185 VanDerWaalsContact CB-CD2 3.41Å; A182-F185 HydrophobicContact CB-CE2 3.69Å; A182-F185 WeakPolarHBondContact O-CB 3.41Å; A182-F185 WeakPolarHBondContact O-CD2 3.46Å; A182-F185 PolarHBondContact O-N 2.79Å
183W67.6Low74.3Confident104 Ų10477.6 Ų77.639%0.39439%0.392SS..THydrogen-bonded Turntrans-54.5-32.4-17773.8-94.2000114.6Y31 F32 C35 F185 A186Y31-W183 HydrophobicContact CE1-CB 3.69Å; F32-W183 HydrophobicContact CD1-CB 4.05Å; F32-W183 HydrophobicContact CE1-CB 3.8Å; C35-W183 HydrophobicContact CB-CD2 3.96Å; C35-W183 HydrophobicContact CB-CE3 3.79Å; C35-W183 HydrophobicContact CB-CH2 3.66Å; C35-W183 HydrophobicContact CB-CZ2 3.82Å; C35-W183 HydrophobicContact CB-CZ3 3.64Å; W183-F185 PolarHBondContact O-N 3.27Å; W183-A186 WeakPolarHBondContact O-CB 3.48Å; W183-A186 PolarHBondContact O-N 2.91Å
184L62.1Low74.9Confident102 Ų10273.7 Ų73.753%0.53437%0.366SS..THydrogen-bonded Turntrans-56.5-25.2178.5-75.3167.3000112.7A182 A186 A187 F188A182-L184 PolarHBondContact O-N 3.04Å; A182-L184 VanDerWaalsContact O-N 3.1Å; L184-A186 PolarHBondContact O-N 3.25Å; L184-A187 PolarHBondContact O-N 2.97Å; L184-F188 WeakPolarHBondContact O-CD2 3.41Å
185F65.3Low75.7Confident100 Ų10065.6 Ų65.644%0.43933%0.331SS..Hα-helixtrans-65-20.4177.7-82.8-94.2000113.9V178 L179 A182 W183 A187 F188 R189V178-F185 HydrophobicContact CG1-CB 4.3Å; V178-F185 HydrophobicContact CG1-CD1 4.27Å; V178-F185 HydrophobicContact CG1-CD2 4.39Å; V178-F185 HydrophobicContact CG1-CG 4.07Å; L179-F185 HydrophobicContact CD2-CB 4.2Å; A182-F185 HydrophobicContact CB-CD2 3.41Å; A182-F185 VanDerWaalsContact CB-CD2 3.41Å; A182-F185 HydrophobicContact CB-CE2 3.69Å; A182-F185 WeakPolarHBondContact O-CB 3.41Å; A182-F185 WeakPolarHBondContact O-CD2 3.46Å; A182-F185 PolarHBondContact O-N 2.79Å; W183-F185 PolarHBondContact O-N 3.27Å; F185-A187 PolarHBondContact O-N 3.32Å; F185-F188 PolarHBondContact O-N 3.3Å; F185-R189 PolarHBondContact O-N 3.35Å
186A65.3Low76.5Confident3 Ų365 Ų653%0.02533%0.328CS..Hα-helixtrans-57.6-51.6177.900000110.9L179 W183 L184 F188 R189 S190 A191 P193L179-A186 HydrophobicContact CD2-CB 3.69Å; L179-A186 VanDerWaalsContact CD2-N 3.35Å; W183-A186 WeakPolarHBondContact O-CB 3.48Å; W183-A186 PolarHBondContact O-N 2.91Å; L184-A186 PolarHBondContact O-N 3.25Å; A186-F188 VanDerWaalsContact C-N 3.34Å; A186-F188 PolarHBondContact O-N 3.17Å; A186-R189 PolarHBondContact O-N 3.24Å; A186-R189 VanDerWaalsContact O-N 3.14Å; A186-S190 PolarHBondContact O-N 3.2Å; A186-A191 CarbonylContact C-O 3.57Å; A186-A191 HydrophobicContact CB-CB 4.45Å; A186-A191 PolarHBondContact O-N 3.23Å; A186-P193 HydrophobicContact CB-CG 4.18Å
187A62.3Low77.4Confident71 Ų7164.3 Ų64.359%0.58733%0.327SS*.Hα-helixtrans-62.1-40.3179.900000112.1L184 F185 R189 S190L184-A187 PolarHBondContact O-N 2.97Å; F185-A187 PolarHBondContact O-N 3.32Å; A187-R189 PolarHBondContact O-N 3.38Å; A187-S190 PolarHBondContact O-N 3.39Å
188F63.9Low78.2Confident168 Ų16858 Ų5874%0.73730%0.3SS*.Hα-helixtrans-62.8-23.9178.2-81.4-75.5000113.8L184 F185 A186L184-F188 WeakPolarHBondContact O-CD2 3.41Å; F185-F188 PolarHBondContact O-N 3.3Å; A186-F188 VanDerWaalsContact C-N 3.34Å; A186-F188 PolarHBondContact O-N 3.17Å
189R66.5Low79.1Confident150 Ų15055 Ų5557%0.56628%0.282SS*.THydrogen-bonded Turntrans-110.923.1-178-69.3-64.3-171.8117.3-3.5113.6F175 F185 A186 A187 A191F175-R189 HydrophobicContact CE2-CB 3.64Å; F175-R189 HydrophobicContact CE2-CG 3.9Å; F175-R189 HydrophobicContact CZ-CB 4.13Å; F185-R189 PolarHBondContact O-N 3.35Å; A186-R189 PolarHBondContact O-N 3.24Å; A186-R189 VanDerWaalsContact O-N 3.14Å; A187-R189 PolarHBondContact O-N 3.38Å; R189-A191 PolarHBondContact O-N 2.83Å
190S76Confident80Confident55 Ų5561.9 Ų61.939%0.38531%0.308SS..THydrogen-bonded Turntrans59.335.8176-600000112.7I165 A186 A187I165-S190 PolarHBondContact N-O 3.2Å; I165-S190 VanDerWaalsContact N-O 3.1Å; A186-S190 PolarHBondContact O-N 3.2Å; A187-S190 PolarHBondContact O-N 3.39Å
191A81.7Confident81.2Confident0 Ų061.3 Ų61.30%030%0.301CS..EExtended strand (participates in β ladder)trans-113.5128.3172.500000108.7I162 Y163 F175 A186 R189I162-A191 HydrophobicContact CG2-CB 3.8Å; Y163-A191 WeakPolarHBondContact O-CA 3.49Å; F175-A191 HydrophobicContact CE1-CB 4.14Å; F175-A191 HydrophobicContact CZ-CB 3.88Å; A186-A191 CarbonylContact C-O 3.57Å; A186-A191 HydrophobicContact CB-CB 4.45Å; A186-A191 PolarHBondContact O-N 3.23Å; R189-A191 PolarHBondContact O-N 2.83Å
192F87Confident82.4Confident86 Ų8654.4 Ų54.438%0.37726%0.264SS..EExtended strand (participates in β ladder)trans-119.9102.6-175-59.4-89.9000109.1Y163 I165 L194Y163-F192 HydrophobicContact CD1-CD2 4.14Å; Y163-F192 PolarHBondContact N-O 3.09Å; Y163-F192 PolarHBondContact O-N 2.55Å; I165-F192 HydrophobicContact CD1-CE2 3.59Å; I165-F192 HydrophobicContact CD1-CZ 4.34Å; I165-F192 HydrophobicContact CG1-CE2 4.03Å; F192-L194 WeakPolarHBondContact O-CD2 3.29Å
193P92Very high83.7Confident21 Ų2152.9 Ų52.914%0.13625%0.252CS..EExtended strand (participates in β ladder)trans-55.8141.3170.8-23.934.2000110.9F32 L36 E161 A186F32-P193 HydrophobicContact CB-CB 3.48Å; F32-P193 VanDerWaalsContact CB-CB 3.48Å; F32-P193 HydrophobicContact CB-CG 3.95Å; F32-P193 HydrophobicContact CD1-CB 4.16Å; F32-P193 HydrophobicContact CD1-CG 3.65Å; F32-P193 HydrophobicContact CD2-CB 3.76Å; F32-P193 HydrophobicContact CD2-CG 3.88Å; F32-P193 HydrophobicContact CE1-CG 4.1Å; F32-P193 HydrophobicContact CE2-CG 4.32Å; F32-P193 HydrophobicContact CG-CB 3.53Å; F32-P193 HydrophobicContact CG-CG 3.53Å; F32-P193 HydrophobicContact CZ-CG 4.43Å; L36-P193 HydrophobicContact CD2-CB 4.02Å; L36-P193 VanDerWaalsContact CD2-O 3.28Å; L36-P193 WeakPolarHBondContact CD2-O 3.29Å; E161-P193 WeakPolarHBondContact O-CA 3.45Å; A186-P193 HydrophobicContact CB-CG 4.18Å
194L94.5Very high85.1Confident24 Ų2448 Ų4813%0.12623%0.233CC..  trans-105.6157.1-179.6-52.5-170000111.2Q33 E161 F192 M196 A476 A477Q33-L194 PolarHBondContact NE2-O 2.84Å; E161-L194 HydrophobicContact CB-CB 4.19Å; E161-L194 HydrophobicContact CG-CB 4.03Å; E161-L194 HydrophobicContact CG-CD1 3.79Å; E161-L194 HydrophobicContact CG-CG 4.14Å; E161-L194 PolarHBondContact O-N 2.76Å; F192-L194 WeakPolarHBondContact O-CD2 3.29Å; L194-M196 PolarHBondContact O-N 3.35Å; L194-A476 CarbonylContact C-O 3.52Å; L194-A476 VanDerWaalsContact CA-O 3.32Å; L194-A476 WeakPolarHBondContact CA-O 3.32Å; L194-A476 HydrophobicContact CB-CB 4.19Å; L194-A476 HydrophobicContact CD1-CB 4.48Å; L194-A477 HydrophobicContact CD2-CB 4.06Å
195D96.8Very high86.9Confident9 Ų943.1 Ų43.15%0.04821%0.207CC..  trans-65129170.8-170.4-89.6000110.3L36 S197 A476 H480L36-D195 HydrophobicContact CD1-CB 3.99Å; D195-S197 WeakPolarHBondContact OD1-CB 3.45Å; D195-S197 PolarHBondContact OD1-N 2.92Å; D195-S197 PolarHBondContact OD1-OG 3.36Å; D195-A476 PolarHBondContact N-O 3.27Å; D195-H480 WeakPolarHBondContact OD2-CA 3.31Å; D195-H480 IonicContact OD2-CD2 3.86Å; D195-H480 PolarHBondContact OD2-CD2 3.38Å; D195-H480 PolarHBondContact OD2-N 2.8Å
196M97.4Very high88.5Confident2 Ų238.4 Ų38.41%0.0119%0.187CC..  trans-116.713.2177.8-62.6-17579.900111.9T29 M30 L158 E161 L194 Q198 Y199T29-M196 HydrophobicContact CG2-CE 3.58Å; T29-M196 HydrophobicContact CG2-SD 3.9Å; M30-M196 HydrophobicContact CE-CB 4.49Å; M30-M196 HydrophobicContact SD-CB 3.89Å; L158-M196 HydrophobicContact CD2-CE 4.23Å; E161-M196 HydrophobicContact CB-CE 4.17Å; E161-M196 HydrophobicContact CB-CG 3.91Å; E161-M196 HydrophobicContact CB-SD 3.83Å; E161-M196 PolarHBondContact N-SD 3.29Å; L194-M196 PolarHBondContact O-N 3.35Å; M196-Q198 PolarHBondContact O-N 3.28Å; M196-Q198 VanDerWaalsContact O-N 3.09Å; M196-Y199 HydrophobicContact CB-CD2 3.74Å; M196-Y199 HydrophobicContact CB-CE2 4.07Å; M196-Y199 HydrophobicContact CB-CG 4.24Å; M196-Y199 HydrophobicContact CE-CD1 3.66Å; M196-Y199 HydrophobicContact CE-CD2 4.24Å; M196-Y199 HydrophobicContact CE-CE1 3.52Å; M196-Y199 HydrophobicContact CE-CE2 4.11Å; M196-Y199 HydrophobicContact CE-CG 4.03Å; M196-Y199 HydrophobicContact CG-CD2 4.09Å; M196-Y199 HydrophobicContact CG-CE2 3.91Å; M196-Y199 WeakPolarHBondContact O-CB 3.46Å; M196-Y199 PolarHBondContact O-N 3.05Å; M196-Y199 VanDerWaalsContact O-N 3.08Å
197S96.5Very high90Very high23 Ų2338.3 Ų38.316%0.16119%0.186CC..THydrogen-bonded Turntrans-62.4-22.3-175.970.80000113.6D195 R200D195-S197 WeakPolarHBondContact OD1-CB 3.45Å; D195-S197 PolarHBondContact OD1-N 2.92Å; D195-S197 PolarHBondContact OD1-OG 3.36Å; S197-R200 WeakPolarHBondContact O-CG 3.31Å; S197-R200 PolarHBondContact O-NE 2.68Å
198Q96.9Very high91.7Very high15 Ų1535.4 Ų35.47%0.0716%0.161CC..THydrogen-bonded Turntrans-85.4-19.9179.3-59.7176.98.400113.5M196 R200 F201 W357 D359 R482M196-Q198 PolarHBondContact O-N 3.28Å; M196-Q198 VanDerWaalsContact O-N 3.09Å; Q198-R200 PolarHBondContact O-N 2.9Å; Q198-R200 VanDerWaalsContact O-N 3.14Å; Q198-F201 WeakPolarHBondContact O-CB 3.32Å; Q198-F201 PolarHBondContact O-N 2.94Å; Q198-W357 HydrophobicContact CB-CZ3 4.44Å; Q198-D359 PolarHBondContact NE2-OD2 3.48Å; Q198-R482 VanDerWaalsContact NE2-CD 3.25Å
199Y97.4Very high93.4Very high4 Ų427.6 Ų27.62%0.01613%0.127CC..G310 helixtrans-60-32.4-173.6-82.5-117.2000112.5F149 L153 E161 M196 F201 L202 A362 R365F149-Y199 HydrophobicContact CZ-CD1 4.5Å; L153-Y199 HydrophobicContact CD1-CD1 4.45Å; E161-Y199 PolarHBondContact OE2-OH 2.82Å; E161-Y199 VanDerWaalsContact OE2-OH 3.11Å; M196-Y199 HydrophobicContact CB-CD2 3.74Å; M196-Y199 HydrophobicContact CB-CE2 4.07Å; M196-Y199 HydrophobicContact CB-CG 4.24Å; M196-Y199 HydrophobicContact CE-CD1 3.66Å; M196-Y199 HydrophobicContact CE-CD2 4.24Å; M196-Y199 HydrophobicContact CE-CE1 3.52Å; M196-Y199 HydrophobicContact CE-CE2 4.11Å; M196-Y199 HydrophobicContact CE-CG 4.03Å; M196-Y199 HydrophobicContact CG-CD2 4.09Å; M196-Y199 HydrophobicContact CG-CE2 3.91Å; M196-Y199 WeakPolarHBondContact O-CB 3.46Å; M196-Y199 PolarHBondContact O-N 3.05Å; M196-Y199 VanDerWaalsContact O-N 3.08Å; Y199-F201 PolarHBondContact O-N 2.88Å; Y199-F201 VanDerWaalsContact O-N 3.1Å; Y199-L202 HydrophobicContact CD1-CD1 4.37Å; Y199-L202 WeakPolarHBondContact O-CB 3.07Å; Y199-L202 WeakPolarHBondContact O-CG 3.5Å; Y199-L202 PolarHBondContact O-N 2.9Å; Y199-L202 VanDerWaalsContact O-N 3.09Å; Y199-A362 HydrophobicContact CD1-CB 4.18Å; Y199-A362 HydrophobicContact CD2-CB 3.71Å; Y199-A362 HydrophobicContact CE1-CB 4.25Å; Y199-A362 HydrophobicContact CE2-CB 3.82Å; Y199-A362 HydrophobicContact CG-CB 3.9Å; Y199-R365 HydrophobicContact CE1-CB 4.06Å; Y199-R365 HydrophobicContact CE1-CG 3.84Å; Y199-R365 WeakPolarHBondContact OH-CB 3.29Å
200R94.8Very high94.8Very high145 Ų14522.8 Ų22.855%0.54711%0.114SC..G310 helixtrans-56.2-26.8175.574.2-174.1177.4174.1-3.7112.6S197 Q198 L202 R220S197-R200 WeakPolarHBondContact O-CG 3.31Å; S197-R200 PolarHBondContact O-NE 2.68Å; Q198-R200 PolarHBondContact O-N 2.9Å; Q198-R200 VanDerWaalsContact O-N 3.14Å; R200-L202 VanDerWaalsContact C-N 3.32Å; R200-R220 PolarHBondContact O-NH1 2.83Å; R200-R220 PolarHBondContact O-NH2 2.79Å
201F97.4Very high95.5Very high27 Ų2726.6 Ų26.612%0.11813%0.127CC..G310 helixtrans-84.1-3.6-177.7-59.2-55.8000113.8Q198 Y199 F203 T205 L216 S338 W357Q198-F201 WeakPolarHBondContact O-CB 3.32Å; Q198-F201 PolarHBondContact O-N 2.94Å; Y199-F201 PolarHBondContact O-N 2.88Å; Y199-F201 VanDerWaalsContact O-N 3.1Å; F201-F203 VanDerWaalsContact C-N 3.28Å; F201-F203 PolarHBondContact O-N 2.66Å; F201-T205 HydrophobicContact CB-CG2 4.23Å; F201-T205 HydrophobicContact CD1-CG2 4.1Å; F201-T205 VanDerWaalsContact O-CB 3.31Å; F201-T205 WeakPolarHBondContact O-CB 3.3Å; F201-L216 HydrophobicContact CD1-CD1 4.25Å; F201-L216 HydrophobicContact CE1-CD1 4.16Å; F201-L216 HydrophobicContact CZ-CD1 4.33Å; F201-S338 WeakPolarHBondContact O-CB 3.42Å; F201-S338 PolarHBondContact O-OG 2.9Å; F201-W357 HydrophobicContact CB-CB 4Å; F201-W357 HydrophobicContact CB-CD2 3.76Å; F201-W357 HydrophobicContact CB-CE3 3.45Å; F201-W357 VanDerWaalsContact CB-CE3 3.45Å; F201-W357 HydrophobicContact CB-CG 4.03Å; F201-W357 HydrophobicContact CB-CZ3 4.18Å; F201-W357 HydrophobicContact CD2-CB 4.39Å; F201-W357 HydrophobicContact CD2-CE3 4.28Å; F201-W357 HydrophobicContact CG-CB 4.28Å; F201-W357 HydrophobicContact CG-CE3 4.35Å
202L97.7Very high96Very high0 Ų031.9 Ų31.90%015%0.154CC..SBendtrans-58.3-44.1173.9-76.6166.9000111.3F149 Y199 R200 S338 M339 W357 A362 V363 F366F149-L202 HydrophobicContact CE1-CD1 3.77Å; F149-L202 HydrophobicContact CZ-CD1 4.25Å; Y199-L202 HydrophobicContact CD1-CD1 4.37Å; Y199-L202 WeakPolarHBondContact O-CB 3.07Å; Y199-L202 WeakPolarHBondContact O-CG 3.5Å; Y199-L202 PolarHBondContact O-N 2.9Å; Y199-L202 VanDerWaalsContact O-N 3.09Å; R200-L202 VanDerWaalsContact C-N 3.32Å; L202-S338 PolarHBondContact O-OG 3.34Å; L202-M339 HydrophobicContact CB-CE 4.42Å; L202-M339 HydrophobicContact CB-SD 4.5Å; L202-M339 HydrophobicContact CD2-SD 3.9Å; L202-W357 HydrophobicContact CD2-CH2 3.61Å; L202-W357 HydrophobicContact CD2-CZ2 4.11Å; L202-W357 HydrophobicContact CG-CH2 4.04Å; L202-A362 HydrophobicContact CD1-CB 4.09Å; L202-A362 HydrophobicContact CD2-CB 4.29Å; L202-A362 HydrophobicContact CG-CB 4.15Å; L202-V363 HydrophobicContact CD2-CG2 4.06Å; L202-F366 HydrophobicContact CD1-CB 4.22Å; L202-F366 HydrophobicContact CD2-CB 4.36Å
203F98.2Very high96.4Very high2 Ų231.3 Ų31.31%0.00915%0.152CC..SBendtrans-112.9148.8-172.5-55-79.8000112.7F149 K150 L153 F201 T205 R220 L305 F306 M339 F366F149-F203 AromaticContact CD1-CE2 3.69Å; F149-F203 HydrophobicContact CD1-CE2 3.69Å; F149-F203 AromaticContact CD1-CZ 3.71Å; F149-F203 HydrophobicContact CD1-CZ 3.71Å; F149-F203 AromaticContact CE1-CE2 3.99Å; F149-F203 HydrophobicContact CE1-CE2 3.99Å; F149-F203 HydrophobicContact CE1-CZ 4.33Å; K150-F203 HydrophobicContact CB-CD1 4.08Å; K150-F203 HydrophobicContact CB-CD2 3.93Å; K150-F203 HydrophobicContact CB-CE1 3.89Å; K150-F203 HydrophobicContact CB-CE2 3.74Å; K150-F203 HydrophobicContact CB-CG 4.11Å; K150-F203 HydrophobicContact CB-CZ 3.72Å; K150-F203 HydrophobicContact CD-CB 3.94Å; K150-F203 HydrophobicContact CD-CD1 3.92Å; K150-F203 HydrophobicContact CD-CD2 4.26Å; K150-F203 HydrophobicContact CD-CG 3.77Å; K150-F203 HydrophobicContact CG-CB 4.48Å; K150-F203 HydrophobicContact CG-CD1 4.31Å; K150-F203 HydrophobicContact CG-CD2 3.94Å; K150-F203 HydrophobicContact CG-CE2 4.26Å; K150-F203 HydrophobicContact CG-CG 3.98Å; L153-F203 HydrophobicContact CD2-CD2 4.36Å; L153-F203 HydrophobicContact CD2-CE2 4.31Å; F201-F203 VanDerWaalsContact C-N 3.28Å; F201-F203 PolarHBondContact O-N 2.66Å; F203-T205 PolarHBondContact O-N 2.99Å; F203-T205 VanDerWaalsContact O-N 3.08Å; F203-T205 PolarHBondContact O-OG1 3.41Å; F203-R220 PolarHBondContact O-NH1 3.32Å; F203-L305 CarbonylContact C-O 3.3Å; F203-L305 VanDerWaalsContact CA-O 3.23Å; F203-L305 WeakPolarHBondContact CA-O 3.29Å; F203-F306 AromaticContact CD1-CD1 3.94Å; F203-F306 HydrophobicContact CD1-CD1 3.94Å; F203-F306 HydrophobicContact CD1-CE1 4.4Å; F203-F306 HydrophobicContact CE1-CD1 4.01Å; F203-F306 HydrophobicContact CE1-CE1 4.18Å; F203-M339 HydrophobicContact CD1-CE 3.76Å; F203-M339 HydrophobicContact CE1-CE 3.4Å; F203-M339 HydrophobicContact CZ-CE 3.95Å; F203-F366 HydrophobicContact CE1-CE2 4.12Å; F203-F366 AromaticContact CZ-CD2 3.93Å; F203-F366 HydrophobicContact CZ-CD2 3.93Å; F203-F366 AromaticContact CZ-CE2 3.76Å; F203-F366 HydrophobicContact CZ-CE2 3.76Å
204N98.2Very high96.7Very high0 Ų030.4 Ų30.40%015%0.146CC..SBendtrans61.912.1174.6-55.9103.5000114.5K150 T218 D219 S222 G303 G304 L305K150-N204 WeakPolarHBondContact CE-OD1 3.43Å; K150-N204 PolarHBondContact NZ-OD1 2.88Å; N204-T218 HydrophobicContact CB-CG2 4.44Å; N204-T218 VanDerWaalsContact O-CA 3.26Å; N204-T218 WeakPolarHBondContact O-CA 3.28Å; N204-D219 WeakPolarHBondContact CB-O 3.31Å; N204-D219 VanDerWaalsContact CG-O 3.31Å; N204-D219 PolarHBondContact ND2-O 3.5Å; N204-D219 PolarHBondContact O-N 2.87Å; N204-D219 VanDerWaalsContact O-N 3.08Å; N204-S222 VanDerWaalsContact ND2-CB 3.3Å; N204-S222 WeakPolarHBondContact ND2-CB 3.34Å; N204-S222 PolarHBondContact ND2-O 2.81Å; N204-G303 PolarHBondContact ND2-O 3.26Å; N204-G304 VanDerWaalsContact CA-O 3.3Å; N204-G304 WeakPolarHBondContact CA-O 3.34Å; N204-L305 PolarHBondContact N-O 3.38Å; N204-L305 WeakPolarHBondContact ND2-CD2 3.45Å
205T98.5Very high96.8Very high0 Ų034.4 Ų34.40%016%0.164CC..EExtended strand (participates in β ladder)trans-110.9141.3-173.2-610000110.5F201 F203 L216 S217 T218 S338F201-T205 HydrophobicContact CB-CG2 4.23Å; F201-T205 HydrophobicContact CD1-CG2 4.1Å; F201-T205 VanDerWaalsContact O-CB 3.31Å; F201-T205 WeakPolarHBondContact O-CB 3.3Å; F203-T205 PolarHBondContact O-N 2.99Å; F203-T205 VanDerWaalsContact O-N 3.08Å; F203-T205 PolarHBondContact O-OG1 3.41Å; T205-L216 HydrophobicContact CG2-CB 4.38Å; T205-L216 HydrophobicContact CG2-CD2 4.17Å; T205-S217 VanDerWaalsContact CA-O 3.27Å; T205-S217 WeakPolarHBondContact CA-O 3.43Å; T205-T218 PolarHBondContact OG1-OG1 3.49Å; T205-S338 WeakPolarHBondContact O-CB 3.39Å; T205-S338 PolarHBondContact O-N 3.2Å; T205-S338 VanDerWaalsContact O-N 3.1Å; T205-S338 PolarHBondContact O-OG 3.4Å
206T98.6Very high96.9Very high1 Ų136 Ų361%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-143.2148.9172-161.70000109.3I208 S217 A302 D336T206-I208 HydrophobicContact CG2-CD1 3.48Å; T206-I208 VanDerWaalsContact CG2-CD1 3.48Å; T206-I208 HydrophobicContact CG2-CG1 4.08Å; T206-S217 PolarHBondContact N-O 3.01Å; T206-S217 PolarHBondContact O-N 3.34Å; T206-A302 HydrophobicContact CG2-CB 3.63Å; T206-D336 CarbonylContact C-O 3.48Å; T206-D336 WeakPolarHBondContact CA-O 3.47Å; T206-D336 PolarHBondContact OG1-O 3.35Å
207R98.5Very high96.8Very high1 Ų138.3 Ų38.30%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-83119.3168-179.3173.7173.7163.13.3109.4Y107 L114 D214 L216 D336 E354Y107-R207 PolarHBondContact O-NH2 3.4Å; L114-R207 VanDerWaalsContact CD2-NH1 3.33Å; R207-D214 HydrophobicContact CG-CB 4.04Å; R207-D214 IonicContact CZ-OD2 2.61Å; R207-D214 IonicContact NE-OD2 3.54Å; R207-D214 PolarHBondContact NE-OD2 2.83Å; R207-D214 IonicContact NH2-OD2 3.57Å; R207-D214 PolarHBondContact NH2-OD2 3.49Å; R207-D214 VanDerWaalsContact NH2-OD2 3.15Å; R207-L216 HydrophobicContact CB-CD2 4.29Å; R207-D336 PolarHBondContact N-O 2.89Å; R207-D336 VanDerWaalsContact O-CB 3.28Å; R207-D336 WeakPolarHBondContact O-CB 3.28Å; R207-D336 VanDerWaalsContact O-CG 3.26Å; R207-E354 HydrophobicContact CB-CG 4.23Å; R207-E354 VanDerWaalsContact CD-CD 3.48Å; R207-E354 VanDerWaalsContact CD-OE1 3.23Å; R207-E354 WeakPolarHBondContact CD-OE1 3.09Å; R207-E354 IonicContact CZ-OE1 3.22Å; R207-E354 IonicContact NE-OE1 3.95Å; R207-E354 IonicContact NH1-OE1 2.95Å; R207-E354 PolarHBondContact NH1-OE1 2.83Å
208I98.1Very high96.9Very high11 Ų1139.7 Ų39.76%0.05620%0.196CC..EExtended strand (participates in β ladder)trans-94.1126.3176.7-60-60.2000108.7T206 V210 D214 Q215 A302T206-I208 HydrophobicContact CG2-CD1 3.48Å; T206-I208 VanDerWaalsContact CG2-CD1 3.48Å; T206-I208 HydrophobicContact CG2-CG1 4.08Å; I208-V210 HydrophobicContact CG2-CG2 4.14Å; I208-V210 PolarHBondContact O-N 3Å; I208-D214 WeakPolarHBondContact O-CA 3.48Å; I208-D214 WeakPolarHBondContact O-CB 3.49Å; I208-Q215 HydrophobicContact CB-CG 3.99Å; I208-Q215 PolarHBondContact N-O 3.1Å; I208-Q215 PolarHBondContact O-N 2.88Å; I208-Q215 VanDerWaalsContact O-N 3.11Å; I208-A302 HydrophobicContact CD1-CB 4.32Å
209P97.9Very high96.9Very high4 Ų441 Ų413%0.02620%0.204CC..PPolyproline II helixtrans-66.4129.8172.633.8-40.6000109.5D214 W281 R285P209-D214 WeakPolarHBondContact CA-OD1 3.44Å; P209-W281 HydrophobicContact CB-CB 4.29Å; P209-W281 HydrophobicContact CB-CG 3.93Å; P209-W281 VanDerWaalsContact CG-CD1 3.41Å; P209-W281 HydrophobicContact CG-CD2 4.02Å; P209-W281 HydrophobicContact CG-CG 3.78Å; P209-R285 HydrophobicContact CG-CB 4.12Å; P209-R285 VanDerWaalsContact CG-CD 3.45Å; P209-R285 HydrophobicContact CG-CG 4.42Å
210V96.3Very high96.7Very high48 Ų4846.2 Ų46.229%0.29122%0.223SC..  trans-138147.8176.3176.60000107.8R111 I208 I212 K213 D214 Q215 S282R111-V210 PolarHBondContact NH2-O 3.16Å; R111-V210 VanDerWaalsContact NH2-O 3.14Å; I208-V210 HydrophobicContact CG2-CG2 4.14Å; I208-V210 PolarHBondContact O-N 3Å; V210-I212 PolarHBondContact O-N 3.42Å; V210-K213 WeakPolarHBondContact CB-O 3.49Å; V210-D214 PolarHBondContact N-OD1 3.48Å; V210-D214 VanDerWaalsContact N-OD1 3.14Å; V210-Q215 HydrophobicContact CG2-CG 3.88Å; V210-S282 WeakPolarHBondContact CA-OG 3.4Å
211M91.4Very high96.7Very high135 Ų13543.7 Ų43.767%0.66523%0.227SC*.SBendtrans-52.2130.4176.9-165.6-178.8-69.300110K213 S282M211-K213 PolarHBondContact O-N 2.83Å; M211-S282 PolarHBondContact N-OG 2.77Å; M211-S282 VanDerWaalsContact N-OG 3.12Å
212I92.2Very high96.7Very high111 Ų11143 Ų4357%0.56923%0.226SC*.SBendtrans68.2-49.1-178.6-58.5158.2000115.2V210V210-I212 PolarHBondContact O-N 3.42Å
213K95.9Very high96.6Very high75 Ų7547 Ų4733%0.32624%0.241SC..SBendtrans-141.7113.3-174.3178.7178.4173.1168.20110.9D105 F108 R109 V210 M211D105-K213 WeakPolarHBondContact OD1-CD 3.08Å; D105-K213 VanDerWaalsContact OD1-CE 3.22Å; D105-K213 WeakPolarHBondContact OD1-CE 3.44Å; D105-K213 IonicContact OD1-NZ 3.78Å; D105-K213 PolarHBondContact OD1-NZ 3.34Å; F108-K213 HydrophobicContact CB-CG 3.84Å; F108-K213 WeakPolarHBondContact O-CA 3.45Å; R109-K213 HydrophobicContact CG-CB 4.12Å; R109-K213 HydrophobicContact CG-CD 4.36Å; R109-K213 HydrophobicContact CG-CG 4.13Å; V210-K213 WeakPolarHBondContact CB-O 3.49Å; M211-K213 PolarHBondContact O-N 2.83Å
214D98.1Very high96.7Very high2 Ų247 Ų471%0.01124%0.242CC..  trans-63.9163.7175-69.65.5000111.5F108 R111 R207 I208 P209 V210 R278F108-D214 WeakPolarHBondContact CB-O 3.32Å; F108-D214 HydrophobicContact CD1-CB 4.44Å; F108-D214 PolarHBondContact O-N 2.91Å; R111-D214 IonicContact CZ-OD1 3.3Å; R111-D214 VanDerWaalsContact CZ-OD1 3.29Å; R111-D214 IonicContact NH1-OD1 2.75Å; R111-D214 PolarHBondContact NH1-OD1 3.27Å; R111-D214 IonicContact NH2-OD1 2.71Å; R111-D214 PolarHBondContact NH2-OD1 3.24Å; R207-D214 HydrophobicContact CG-CB 4.04Å; R207-D214 IonicContact CZ-OD2 2.61Å; R207-D214 IonicContact NE-OD2 3.54Å; R207-D214 PolarHBondContact NE-OD2 2.83Å; R207-D214 IonicContact NH2-OD2 3.57Å; R207-D214 PolarHBondContact NH2-OD2 3.49Å; R207-D214 VanDerWaalsContact NH2-OD2 3.15Å; I208-D214 WeakPolarHBondContact O-CA 3.48Å; I208-D214 WeakPolarHBondContact O-CB 3.49Å; P209-D214 WeakPolarHBondContact CA-OD1 3.44Å; V210-D214 PolarHBondContact N-OD1 3.48Å; V210-D214 VanDerWaalsContact N-OD1 3.14Å; D214-R278 IonicContact OD2-CZ 3.58Å; D214-R278 IonicContact OD2-NE 2.65Å; D214-R278 PolarHBondContact OD2-NE 3.39Å; D214-R278 IonicContact OD2-NH2 3.49Å; D214-R278 PolarHBondContact OD2-NH2 3.46Å
215Q96.8Very high96.7Very high108 Ų10847 Ų4751%0.50524%0.242SC..EExtended strand (participates in β ladder)trans-135.7148.1179.967-175.614.900112I208 V210I208-Q215 HydrophobicContact CB-CG 3.99Å; I208-Q215 PolarHBondContact N-O 3.1Å; I208-Q215 PolarHBondContact O-N 2.88Å; I208-Q215 VanDerWaalsContact O-N 3.11Å; V210-Q215 HydrophobicContact CG2-CG 3.88Å
216L97.3Very high96.7Very high42 Ų4247 Ų4722%0.2224%0.242CC..EExtended strand (participates in β ladder)trans-79.7130.5167.1-63.1177.5000109.6F108 F201 T205 R207 W357F108-L216 HydrophobicContact CE1-CD1 4.37Å; F108-L216 HydrophobicContact CE1-CD2 3.91Å; F108-L216 HydrophobicContact CE1-CG 3.75Å; F108-L216 HydrophobicContact CZ-CD1 3.76Å; F108-L216 HydrophobicContact CZ-CD2 4.16Å; F108-L216 HydrophobicContact CZ-CG 3.55Å; F201-L216 HydrophobicContact CD1-CD1 4.25Å; F201-L216 HydrophobicContact CE1-CD1 4.16Å; F201-L216 HydrophobicContact CZ-CD1 4.33Å; T205-L216 HydrophobicContact CG2-CB 4.38Å; T205-L216 HydrophobicContact CG2-CD2 4.17Å; R207-L216 HydrophobicContact CB-CD2 4.29Å; L216-W357 HydrophobicContact CD1-CB 3.63Å; L216-W357 HydrophobicContact CD2-CB 3.94Å; L216-W357 HydrophobicContact CG-CB 4.45Å
217S97.1Very high96.7Very high51 Ų5147 Ų4736%0.35724%0.241SC..EExtended strand (participates in β ladder)trans-109.5140167.4-175.50000108.7T205 T206T205-S217 VanDerWaalsContact CA-O 3.27Å; T205-S217 WeakPolarHBondContact CA-O 3.43Å; T206-S217 PolarHBondContact N-O 3.01Å; T206-S217 PolarHBondContact O-N 3.34Å
218T97.5Very high96.7Very high51 Ų5147 Ų4731%0.31324%0.241SC..EExtended strand (participates in β ladder)trans-140123.8179.4-62.30000110.4N204 T205 R220N204-T218 HydrophobicContact CB-CG2 4.44Å; N204-T218 VanDerWaalsContact O-CA 3.26Å; N204-T218 WeakPolarHBondContact O-CA 3.28Å; T205-T218 PolarHBondContact OG1-OG1 3.49Å; T218-R220 HydrophobicContact CG2-CG 4.24Å
219D96.5Very high96.6Very high44 Ų4447.4 Ų47.424%0.23524%0.242CC..  trans-114.593.2177.2176.815000111.5N204 S221 S222N204-D219 WeakPolarHBondContact CB-O 3.31Å; N204-D219 VanDerWaalsContact CG-O 3.31Å; N204-D219 PolarHBondContact ND2-O 3.5Å; N204-D219 PolarHBondContact O-N 2.87Å; N204-D219 VanDerWaalsContact O-N 3.08Å; D219-S221 PolarHBondContact O-N 2.87Å; D219-S221 VanDerWaalsContact O-N 3.17Å; D219-S221 WeakPolarHBondContact OD1-CB 3.36Å; D219-S221 PolarHBondContact OD1-N 3.41Å; D219-S221 PolarHBondContact OD1-OG 3.36Å; D219-S222 WeakPolarHBondContact O-CB 3.48Å; D219-S222 PolarHBondContact O-N 2.9Å; D219-S222 PolarHBondContact OD2-OG 3.28Å
220R94.4Very high96.6Very high112 Ų11251.1 Ų51.142%0.42326%0.256SS..THydrogen-bonded Turntrans-66.8-14.9-178.5-62.4-62.1-178.1-149-5.5114.4R200 F203 T218 S222R200-R220 PolarHBondContact O-NH1 2.83Å; R200-R220 PolarHBondContact O-NH2 2.79Å; F203-R220 PolarHBondContact O-NH1 3.32Å; T218-R220 HydrophobicContact CG2-CG 4.24Å; R220-S222 VanDerWaalsContact C-N 3.33Å
221S94.3Very high96.6Very high92 Ų9249 Ų4964%0.64324%0.244SC*.THydrogen-bonded Turntrans-81.2-16.1178.574.20000112.9D219D219-S221 PolarHBondContact O-N 2.87Å; D219-S221 VanDerWaalsContact O-N 3.17Å; D219-S221 WeakPolarHBondContact OD1-CB 3.36Å; D219-S221 PolarHBondContact OD1-N 3.41Å; D219-S221 PolarHBondContact OD1-OG 3.36Å
222S96.3Very high96.9Very high14 Ų1443.8 Ų43.810%0.09822%0.218CC..  trans-70.2130.1-175.9-86.90000112.5N204 D219 R220 H224 G303N204-S222 VanDerWaalsContact ND2-CB 3.3Å; N204-S222 WeakPolarHBondContact ND2-CB 3.34Å; N204-S222 PolarHBondContact ND2-O 2.81Å; D219-S222 WeakPolarHBondContact O-CB 3.48Å; D219-S222 PolarHBondContact O-N 2.9Å; D219-S222 PolarHBondContact OD2-OG 3.28Å; R220-S222 VanDerWaalsContact C-N 3.33Å; S222-H224 PolarHBondContact OG-CE1 2.96Å; S222-H224 VanDerWaalsContact OG-CE1 3.31Å; S222-G303 WeakPolarHBondContact CB-O 3.17Å; S222-G303 PolarHBondContact OG-O 3.34Å
223R97.4Very high97.2Very high82 Ų8239 Ų3931%0.30919%0.193SC..  trans-108.30.5-177.1-60.5-166.7-53.2-106-5.9114.3D237 L238 F239 H240R223-D237 IonicContact NH2-OD2 3.66Å; R223-L238 PolarHBondContact O-N 3.49Å; R223-F239 HydrophobicContact CB-CB 4.08Å; R223-F239 HydrophobicContact CB-CD2 4.37Å; R223-F239 WeakPolarHBondContact CD-O 3.49Å; R223-F239 HydrophobicContact CG-CB 4.22Å; R223-F239 PolarHBondContact NE-O 3.19Å; R223-F239 VanDerWaalsContact NE-O 3.09Å; R223-F239 PolarHBondContact O-N 2.88Å; R223-H240 WeakPolarHBondContact CD-O 3.31Å
224H98.5Very high97.3Very high4 Ų435.5 Ų35.52%0.01918%0.178CC..EExtended strand (participates in β ladder)trans-111.9145.5-16959.7-78.9000113.9S222 I236 D237 K300 G304 L305S222-H224 PolarHBondContact OG-CE1 2.96Å; S222-H224 VanDerWaalsContact OG-CE1 3.31Å; H224-I236 CarbonylContact C-O 3.56Å; H224-I236 WeakPolarHBondContact CA-O 3.45Å; H224-I236 VanDerWaalsContact CB-O 3.29Å; H224-I236 WeakPolarHBondContact CB-O 3.44Å; H224-D237 WeakPolarHBondContact CB-OD1 3.2Å; H224-K300 VanDerWaalsContact CE1-CD 3.43Å; H224-K300 WeakPolarHBondContact CE1-CD 2.98Å; H224-K300 VanDerWaalsContact CG-NZ 3.29Å; H224-K300 WeakPolarHBondContact ND1-CE 3.35Å; H224-K300 PolarHBondContact ND1-NZ 3.06Å; H224-K300 WeakPolarHBondContact NE2-CD 3.27Å; H224-K300 PolarHBondContact NE2-O 2.72Å; H224-G304 WeakPolarHBondContact NE2-CA 3.23Å; H224-G304 PolarHBondContact NE2-N 2.86Å; H224-G304 CarbonylContact O-C 3.48Å; H224-G304 VanDerWaalsContact O-CA 3.23Å; H224-G304 WeakPolarHBondContact O-CA 3.31Å; H224-L305 WeakPolarHBondContact O-CG 3.21Å; H224-L305 PolarHBondContact O-N 2.95Å
225V98.8Very high97.3Very high0 Ų035.5 Ų35.50%018%0.178CC..EExtended strand (participates in β ladder)trans-86.3150.4162.466.90000109.5L143 V227 S235 I236 L238 F306 L308L143-V225 HydrophobicContact CD1-CG1 4.2Å; L143-V225 HydrophobicContact CD2-CG1 4.41Å; L143-V225 HydrophobicContact CD2-CG2 4.04Å; V225-V227 HydrophobicContact CG1-CG2 4.1Å; V225-S235 VanDerWaalsContact O-CA 3.3Å; V225-S235 WeakPolarHBondContact O-CA 3.46Å; V225-I236 HydrophobicContact CG1-CB 3.97Å; V225-I236 PolarHBondContact N-O 3.3Å; V225-I236 PolarHBondContact O-N 3.28Å; V225-L238 HydrophobicContact CB-CD1 3.71Å; V225-L238 HydrophobicContact CB-CG 4.28Å; V225-L238 HydrophobicContact CG1-CD1 3.65Å; V225-L238 HydrophobicContact CG1-CD2 4.13Å; V225-L238 HydrophobicContact CG1-CG 3.89Å; V225-F306 HydrophobicContact CG2-CD2 3.77Å; V225-F306 HydrophobicContact CG2-CE2 3.56Å; V225-F306 HydrophobicContact CG2-CG 4.4Å; V225-F306 HydrophobicContact CG2-CZ 4.04Å; V225-F306 WeakPolarHBondContact CG2-O 3.42Å; V225-L308 HydrophobicContact CG2-CB 4.23Å
226I98.8Very high97.3Very high0 Ų030.3 Ų30.30%015%0.154CC..EExtended strand (participates in β ladder)trans-94.2127.2167.7-60.2-62.7000108.2M228 F233 Y234 I301 F306 V307 L308 L399I226-M228 HydrophobicContact CG2-CG 4.4Å; I226-F233 HydrophobicContact CG2-CD1 4.02Å; I226-Y234 CarbonylContact C-O 3.44Å; I226-Y234 VanDerWaalsContact CA-O 3.29Å; I226-Y234 WeakPolarHBondContact CA-O 3.36Å; I226-I301 HydrophobicContact CD1-CG1 4.38Å; I226-F306 PolarHBondContact N-O 3.32Å; I226-F306 VanDerWaalsContact N-O 3.13Å; I226-V307 HydrophobicContact CB-CG2 3.98Å; I226-V307 HydrophobicContact CG2-CG2 4.18Å; I226-V307 CarbonylContact O-C 3.45Å; I226-V307 VanDerWaalsContact O-CA 3.32Å; I226-V307 WeakPolarHBondContact O-CA 3.38Å; I226-L308 PolarHBondContact O-N 3.25Å; I226-L399 HydrophobicContact CD1-CD1 3.83Å
227V98.7Very high97.4Very high0 Ų030.1 Ų30.10%015%0.153CC..EExtended strand (participates in β ladder)trans-107.8129.9174.3-174.20000108.8V225 Y234 I236 L255 I258 L308 L310V225-V227 HydrophobicContact CG1-CG2 4.1Å; V227-Y234 PolarHBondContact N-O 2.71Å; V227-Y234 PolarHBondContact O-N 3.15Å; V227-I236 HydrophobicContact CG2-CD1 3.58Å; V227-I236 HydrophobicContact CG2-CG1 3.97Å; V227-L255 HydrophobicContact CG1-CD2 4.44Å; V227-L255 HydrophobicContact CG2-CD2 4.11Å; V227-I258 HydrophobicContact CB-CD1 4.06Å; V227-I258 HydrophobicContact CG1-CD1 4.1Å; V227-I258 HydrophobicContact CG1-CG2 4.37Å; V227-I258 HydrophobicContact CG2-CD1 4.29Å; V227-L308 CarbonylContact C-O 3.18Å; V227-L308 WeakPolarHBondContact CA-O 3.19Å; V227-L308 HydrophobicContact CG1-CD2 4.4Å; V227-L308 HydrophobicContact CG2-CB 4.37Å; V227-L308 HydrophobicContact CG2-CD2 4.23Å; V227-L310 HydrophobicContact CG1-CD1 3.71Å; V227-L310 HydrophobicContact CG1-CG 4.08Å
228M98.3Very high97.4Very high0 Ų027.7 Ų27.70%014%0.136CC..EExtended strand (participates in β ladder)trans-113.8128.1173.9-64.9-174.770.500110.3I226 H232 F233 V307 L308 L310 N332 R333 W334I226-M228 HydrophobicContact CG2-CG 4.4Å; M228-H232 WeakPolarHBondContact CA-O 3.35Å; M228-F233 HydrophobicContact CE-CD1 4.24Å; M228-F233 HydrophobicContact CE-CE1 3.49Å; M228-F233 VanDerWaalsContact CE-CE1 3.49Å; M228-F233 HydrophobicContact CE-CE2 3.92Å; M228-F233 HydrophobicContact CE-CZ 3.31Å; M228-F233 HydrophobicContact CG-CD1 3.86Å; M228-F233 HydrophobicContact CG-CE1 3.89Å; M228-F233 HydrophobicContact SD-CD1 4.13Å; M228-F233 HydrophobicContact SD-CE1 3.53Å; M228-F233 VanDerWaalsContact SD-CE1 3.53Å; M228-F233 HydrophobicContact SD-CZ 4.01Å; M228-V307 HydrophobicContact CG-CG1 3.96Å; M228-V307 HydrophobicContact SD-CG1 3.88Å; M228-L308 PolarHBondContact N-O 2.95Å; M228-L310 PolarHBondContact O-N 3.1Å; M228-N332 WeakPolarHBondContact CB-OD1 3.42Å; M228-N332 PolarHBondContact O-ND2 3.13Å; M228-N332 PolarHBondContact O-OD1 2.95Å; M228-R333 WeakPolarHBondContact CE-O 3.38Å; M228-R333 VanDerWaalsContact SD-C 3.59Å; M228-W334 HydrophobicContact SD-CB 3.94Å
229R97.3Very high97.4Very high21 Ų2125.9 Ų25.98%0.07912%0.123CC..EExtended strand (participates in β ladder)trans-141.9126.6173.1-177.4178.7175.5-120.4-7.1109.6G231 H232 I258 L259 M261 L310 E312 N332R229-G231 PolarHBondContact O-N 3.36Å; R229-G231 VanDerWaalsContact O-N 3.1Å; R229-H232 PolarHBondContact N-O 3.01Å; R229-H232 WeakPolarHBondContact O-CB 3.33Å; R229-H232 PolarHBondContact O-N 3.06Å; R229-I258 HydrophobicContact CB-CG2 4.3Å; R229-I258 PolarHBondContact NH1-O 3.48Å; R229-L259 VanDerWaalsContact CZ-O 3.27Å; R229-L259 PolarHBondContact NH1-O 3.27Å; R229-L259 PolarHBondContact NH2-O 3.48Å; R229-M261 PolarHBondContact NH1-O 3.07Å; R229-L310 HydrophobicContact CB-CB 4.38Å; R229-L310 HydrophobicContact CG-CB 4.46Å; R229-E312 IonicContact CZ-OE1 3.87Å; R229-E312 IonicContact NE-OE1 2.7Å; R229-E312 IonicContact NH2-OE1 3.87Å; R229-E312 PolarHBondContact NH2-OE1 2.99Å; R229-N332 VanDerWaalsContact C-OD1 3.29Å; R229-N332 VanDerWaalsContact CA-OD1 3.24Å; R229-N332 WeakPolarHBondContact CA-OD1 3.42Å; R229-N332 PolarHBondContact N-OD1 2.87Å; R229-N332 VanDerWaalsContact N-OD1 3.12Å
230R96.4Very high97.4Very high81 Ų8127.3 Ų27.331%0.30613%0.129SC..THydrogen-bonded Turntrans50.733.5179.9-61.2-179.2170.7-168.5-5.6113.4H232 L263 P265 A266 E312 N332R230-H232 VanDerWaalsContact C-N 3.32Å; R230-H232 PolarHBondContact O-N 3.38Å; R230-L263 WeakPolarHBondContact CD-O 3.42Å; R230-L263 PolarHBondContact NH1-O 2.99Å; R230-P265 WeakPolarHBondContact O-CA 3.4Å; R230-A266 PolarHBondContact O-N 3.15Å; R230-E312 IonicContact CZ-OE1 2.75Å; R230-E312 IonicContact CZ-OE2 2.95Å; R230-E312 VanDerWaalsContact NE-CD 3.31Å; R230-E312 IonicContact NE-OE1 3.99Å; R230-E312 PolarHBondContact NE-OE1 2.89Å; R230-E312 IonicContact NE-OE2 2.99Å; R230-E312 PolarHBondContact NE-OE2 3.35Å; R230-E312 IonicContact NH2-OE1 2.94Å; R230-E312 PolarHBondContact NH2-OE1 2.88Å; R230-E312 IonicContact NH2-OE2 3Å; R230-E312 PolarHBondContact NH2-OE2 2.99Å; R230-N332 PolarHBondContact N-OD1 3.38Å; R230-N332 VanDerWaalsContact N-OD1 3.15Å
231G96.9Very high97.3Very high5 Ų527.9 Ų27.95%0.05215%0.145CC..THydrogen-bonded Turntrans80.61.1-179.300000116.2R229 T331 N332R229-G231 PolarHBondContact O-N 3.36Å; R229-G231 VanDerWaalsContact O-N 3.1Å; G231-T331 VanDerWaalsContact CA-O 3.25Å; G231-T331 WeakPolarHBondContact CA-O 3.41Å; G231-N332 PolarHBondContact N-OD1 3.5Å
232H97.5Very high97.2Very high25 Ų2528.2 Ų28.212%0.11614%0.139CC..EExtended strand (participates in β ladder)trans-89.6149.7172.6-59.5-77.7000111M228 R229 R230 Y234 T264 A266M228-H232 WeakPolarHBondContact CA-O 3.35Å; R229-H232 PolarHBondContact N-O 3.01Å; R229-H232 WeakPolarHBondContact O-CB 3.33Å; R229-H232 PolarHBondContact O-N 3.06Å; R230-H232 VanDerWaalsContact C-N 3.32Å; R230-H232 PolarHBondContact O-N 3.38Å; H232-Y234 HydrophobicContact CB-CE2 3.87Å; H232-T264 PolarHBondContact NE2-O 3.16Å; H232-A266 PolarHBondContact NE2-N 2.97Å
233F98Very high97.1Very high9 Ų928.6 Ų28.64%0.03915%0.146CC..EExtended strand (participates in β ladder)trans-111.5137.9-178.9-67.6-99.8000111.4I226 M228 I270 I301 W334 L399I226-F233 HydrophobicContact CG2-CD1 4.02Å; M228-F233 HydrophobicContact CE-CD1 4.24Å; M228-F233 HydrophobicContact CE-CE1 3.49Å; M228-F233 VanDerWaalsContact CE-CE1 3.49Å; M228-F233 HydrophobicContact CE-CE2 3.92Å; M228-F233 HydrophobicContact CE-CZ 3.31Å; M228-F233 HydrophobicContact CG-CD1 3.86Å; M228-F233 HydrophobicContact CG-CE1 3.89Å; M228-F233 HydrophobicContact SD-CD1 4.13Å; M228-F233 HydrophobicContact SD-CE1 3.53Å; M228-F233 VanDerWaalsContact SD-CE1 3.53Å; M228-F233 HydrophobicContact SD-CZ 4.01Å; F233-I270 HydrophobicContact CE2-CB 4.29Å; F233-I301 HydrophobicContact CD1-CD1 3.7Å; F233-I301 HydrophobicContact CD1-CG1 4Å; F233-I301 HydrophobicContact CE1-CD1 3.95Å; F233-I301 HydrophobicContact CE1-CG1 4.44Å; F233-I301 HydrophobicContact CE1-CG2 4.49Å; F233-I301 HydrophobicContact CG-CD1 4.09Å; F233-W334 HydrophobicContact CE1-CD2 4.5Å; F233-W334 AromaticContact CE1-CE3 3.84Å; F233-W334 HydrophobicContact CE1-CE3 3.84Å; F233-W334 HydrophobicContact CE1-CZ3 4.37Å; F233-W334 AromaticContact CZ-CE3 3.78Å; F233-W334 HydrophobicContact CZ-CE3 3.78Å; F233-W334 HydrophobicContact CZ-CZ3 4.07Å; F233-L399 HydrophobicContact CB-CB 3.93Å; F233-L399 HydrophobicContact CB-CD1 4.43Å; F233-L399 PolarHBondContact O-N 3.3Å
234Y98Very high97Very high3 Ų328.3 Ų28.31%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-132154.7171.9-56.6-97.2000109.4I226 V227 H232 I258 M261 L263 V396 K397 R398I226-Y234 CarbonylContact C-O 3.44Å; I226-Y234 VanDerWaalsContact CA-O 3.29Å; I226-Y234 WeakPolarHBondContact CA-O 3.36Å; V227-Y234 PolarHBondContact N-O 2.71Å; V227-Y234 PolarHBondContact O-N 3.15Å; H232-Y234 HydrophobicContact CB-CE2 3.87Å; Y234-I258 HydrophobicContact CD1-CD1 4.19Å; Y234-I258 HydrophobicContact CD1-CG1 4.06Å; Y234-I258 HydrophobicContact CD2-CD1 4.23Å; Y234-I258 HydrophobicContact CD2-CG1 4.42Å; Y234-I258 HydrophobicContact CD2-CG2 4Å; Y234-I258 HydrophobicContact CE1-CG1 4.37Å; Y234-I258 HydrophobicContact CE2-CG2 3.94Å; Y234-I258 HydrophobicContact CG-CD1 3.81Å; Y234-I258 HydrophobicContact CG-CG1 4.09Å; Y234-M261 HydrophobicContact CE1-SD 3.72Å; Y234-M261 PolarHBondContact OH-SD 3.19Å; Y234-M261 VanDerWaalsContact OH-SD 3.37Å; Y234-L263 WeakPolarHBondContact OH-CD1 3.46Å; Y234-V396 HydrophobicContact CD1-CG1 4.28Å; Y234-K397 CarbonylContact C-O 3.51Å; Y234-K397 VanDerWaalsContact CA-O 3.26Å; Y234-K397 WeakPolarHBondContact CA-O 3.31Å; Y234-R398 HydrophobicContact CD1-CB 4.04Å; Y234-R398 HydrophobicContact CD1-CG 4.37Å; Y234-R398 HydrophobicContact CE1-CB 3.98Å; Y234-R398 HydrophobicContact CE1-CG 4.02Å
235S98.3Very high97Very high1 Ų128.2 Ų28.21%0.00715%0.147CC..EExtended strand (participates in β ladder)trans-116.2137.2162.361.50000109.9V225 K300 V396 K397V225-S235 VanDerWaalsContact O-CA 3.3Å; V225-S235 WeakPolarHBondContact O-CA 3.46Å; S235-K300 VanDerWaalsContact OG-CE 3.27Å; S235-K300 WeakPolarHBondContact OG-CE 3.17Å; S235-V396 WeakPolarHBondContact O-CA 3.4Å; S235-K397 PolarHBondContact N-O 2.79Å; S235-K397 PolarHBondContact O-N 2.87Å
236I98.3Very high96.8Very high0 Ų028.5 Ų28.50%015%0.149CC..EExtended strand (participates in β ladder)trans-119.5115.9171.5-51.1177.1000107.3H224 V225 V227 L238 L255 I258 C395 V396H224-I236 CarbonylContact C-O 3.56Å; H224-I236 WeakPolarHBondContact CA-O 3.45Å; H224-I236 VanDerWaalsContact CB-O 3.29Å; H224-I236 WeakPolarHBondContact CB-O 3.44Å; V225-I236 HydrophobicContact CG1-CB 3.97Å; V225-I236 PolarHBondContact N-O 3.3Å; V225-I236 PolarHBondContact O-N 3.28Å; V227-I236 HydrophobicContact CG2-CD1 3.58Å; V227-I236 HydrophobicContact CG2-CG1 3.97Å; I236-L238 HydrophobicContact CB-CD2 4.35Å; I236-L238 HydrophobicContact CG2-CD2 3.87Å; I236-L238 PolarHBondContact O-N 2.6Å; I236-L255 HydrophobicContact CD1-CD2 3.7Å; I236-L255 HydrophobicContact CD1-CG 4.37Å; I236-I258 HydrophobicContact CD1-CD1 3.81Å; I236-I258 HydrophobicContact CG1-CD1 4.17Å; I236-C395 VanDerWaalsContact CA-O 3.3Å; I236-C395 WeakPolarHBondContact CA-O 3.49Å; I236-V396 HydrophobicContact CG1-CG2 4.23Å
237D98.1Very high96.6Very high37 Ų3729.5 Ų29.520%0.19816%0.155CC..EExtended strand (participates in β ladder)trans-66.1116.5170.6-80.712.7000108.4R223 H224 I246 K300 C395R223-D237 IonicContact NH2-OD2 3.66Å; H224-D237 WeakPolarHBondContact CB-OD1 3.2Å; D237-I246 WeakPolarHBondContact O-CD1 3.32Å; D237-K300 IonicContact OD1-NZ 2.84Å; D237-K300 PolarHBondContact OD1-NZ 3.05Å; D237-C395 HydrophobicContact CB-CB 4.23Å; D237-C395 PolarHBondContact N-O 2.94Å
238L98.1Very high96.4Very high0 Ų029.6 Ų29.60%016%0.156CC..  trans-99.7-8.7-178.2-61.5-176.1000113L143 C147 R223 V225 I236 L245 I246 I251 L305L143-L238 HydrophobicContact CD1-CD1 4.44Å; L143-L238 HydrophobicContact CD1-CD2 4.37Å; L143-L238 HydrophobicContact CD2-CD1 4.41Å; C147-L238 WeakPolarHBondContact SG-CD1 3.49Å; R223-L238 PolarHBondContact O-N 3.49Å; V225-L238 HydrophobicContact CB-CD1 3.71Å; V225-L238 HydrophobicContact CB-CG 4.28Å; V225-L238 HydrophobicContact CG1-CD1 3.65Å; V225-L238 HydrophobicContact CG1-CD2 4.13Å; V225-L238 HydrophobicContact CG1-CG 3.89Å; I236-L238 HydrophobicContact CB-CD2 4.35Å; I236-L238 HydrophobicContact CG2-CD2 3.87Å; I236-L238 PolarHBondContact O-N 2.6Å; L238-L245 WeakPolarHBondContact O-CD1 3.4Å; L238-I246 PolarHBondContact O-N 3.26Å; L238-I246 VanDerWaalsContact O-N 3.07Å; L238-I251 HydrophobicContact CD2-CD1 4.13Å; L238-I251 HydrophobicContact CD2-CG1 3.94Å; L238-I251 HydrophobicContact CD2-CG2 4.32Å; L238-L305 HydrophobicContact CB-CD1 4.3Å; L238-L305 HydrophobicContact CD1-CD1 4.04Å; L238-L305 HydrophobicContact CG-CD1 4.46Å
239F97.4Very high96Very high13 Ų1333.8 Ų33.86%0.05718%0.175CC..BIsolated β-bridgetrans-126138.2175.3-56-80.3000110.3C147 K150 R151 R223 G243 Q244 L245 L305C147-F239 HydrophobicContact CB-CE1 4.01Å; C147-F239 HydrophobicContact CB-CZ 3.62Å; K150-F239 HydrophobicContact CD-CE2 4.25Å; K150-F239 HydrophobicContact CD-CZ 4.34Å; R151-F239 HydrophobicContact CG-CE1 3.66Å; R151-F239 HydrophobicContact CG-CZ 4.2Å; R223-F239 HydrophobicContact CB-CB 4.08Å; R223-F239 HydrophobicContact CB-CD2 4.37Å; R223-F239 WeakPolarHBondContact CD-O 3.49Å; R223-F239 HydrophobicContact CG-CB 4.22Å; R223-F239 PolarHBondContact NE-O 3.19Å; R223-F239 VanDerWaalsContact NE-O 3.09Å; R223-F239 PolarHBondContact O-N 2.88Å; F239-G243 VanDerWaalsContact CD1-O 3.29Å; F239-G243 WeakPolarHBondContact CD1-O 3.29Å; F239-Q244 CarbonylContact C-O 3.34Å; F239-Q244 WeakPolarHBondContact CA-O 3.44Å; F239-L245 HydrophobicContact CD1-CB 4.09Å; F239-L245 HydrophobicContact CD1-CD1 4.4Å; F239-L245 HydrophobicContact CE1-CB 4Å; F239-L245 HydrophobicContact CE1-CD1 4.1Å; F239-L305 HydrophobicContact CD2-CD1 4.16Å; F239-L305 HydrophobicContact CE2-CD1 3.63Å; F239-L305 HydrophobicContact CE2-CD2 4.05Å
240H95Very high95.8Very high75 Ų7536.8 Ų36.835%0.34719%0.19SC..  trans-62.3168.4167-62.9-58000110.7R223 D242 G243 Q244 I246R223-H240 WeakPolarHBondContact CD-O 3.31Å; H240-D242 VanDerWaalsContact CB-OD1 3.28Å; H240-D242 WeakPolarHBondContact CB-OD1 3.45Å; H240-D242 PolarHBondContact O-N 3.46Å; H240-G243 WeakPolarHBondContact O-CA 3.28Å; H240-G243 PolarHBondContact O-N 2.88Å; H240-Q244 PolarHBondContact N-O 3.17Å; H240-I246 VanDerWaalsContact CE1-CG2 3.47Å; H240-I246 WeakPolarHBondContact CE1-CG2 3.33Å
241T92.8Very high95.7Very high123 Ų12332.9 Ų32.976%0.75518%0.176SC*.THydrogen-bonded Turntrans-63.4-24.3-178.346.50000114.1G243T241-G243 VanDerWaalsContact C-N 3.25Å
242D92.5Very high95.6Very high100 Ų10033.6 Ų33.654%0.53518%0.177SC..THydrogen-bonded Turntrans-81.2-4.1174.167-3.6000113.3H240 Q244H240-D242 VanDerWaalsContact CB-OD1 3.28Å; H240-D242 WeakPolarHBondContact CB-OD1 3.45Å; H240-D242 PolarHBondContact O-N 3.46Å; D242-Q244 WeakPolarHBondContact OD1-CB 3.49Å; D242-Q244 PolarHBondContact OD1-N 3.15Å
243G93.5Very high95.3Very high22 Ų2233.8 Ų33.823%0.22718%0.181CC..SBendtrans92.2-6.4-179.600000114.8R151 F239 H240 T241R151-G243 PolarHBondContact NH1-O 3.42Å; F239-G243 VanDerWaalsContact CD1-O 3.29Å; F239-G243 WeakPolarHBondContact CD1-O 3.29Å; H240-G243 WeakPolarHBondContact O-CA 3.28Å; H240-G243 PolarHBondContact O-N 2.88Å; T241-G243 VanDerWaalsContact C-N 3.25Å
244Q96Very high95.1Very high76 Ų7633.3 Ų33.336%0.35518%0.179SC..PPolyproline II helixtrans-66.5139.9177.8-66.9-170.45.100111.5F239 H240 D242F239-Q244 CarbonylContact C-O 3.34Å; F239-Q244 WeakPolarHBondContact CA-O 3.44Å; H240-Q244 PolarHBondContact N-O 3.17Å; D242-Q244 WeakPolarHBondContact OD1-CB 3.49Å; D242-Q244 PolarHBondContact OD1-N 3.15Å
245L97.4Very high95Very high2 Ų233.2 Ų33.21%0.0118%0.179CC..BIsolated β-bridgetrans-65.5130.7173.4176.656.1000109.3Y19 Q20 V144 C147 R148 L238 F239 I251Y19-L245 HydrophobicContact CE1-CB 4.16Å; Y19-L245 HydrophobicContact CE1-CD2 4.01Å; Y19-L245 HydrophobicContact CE1-CG 3.89Å; Y19-L245 HydrophobicContact CE2-CD2 4.48Å; Q20-L245 PolarHBondContact NE2-O 3.1Å; Q20-L245 VanDerWaalsContact NE2-O 3.08Å; V144-L245 HydrophobicContact CG1-CD2 4.31Å; C147-L245 HydrophobicContact CB-CD1 3.52Å; C147-L245 HydrophobicContact CB-CD2 3.87Å; C147-L245 HydrophobicContact CB-CG 4.3Å; R148-L245 HydrophobicContact CG-CD2 3.94Å; L238-L245 WeakPolarHBondContact O-CD1 3.4Å; F239-L245 HydrophobicContact CD1-CB 4.09Å; F239-L245 HydrophobicContact CD1-CD1 4.4Å; F239-L245 HydrophobicContact CE1-CB 4Å; F239-L245 HydrophobicContact CE1-CD1 4.1Å; L245-I251 HydrophobicContact CD1-CD1 4.15Å
246I95.9Very high94.8Very high5 Ų533.3 Ų33.33%0.02618%0.179CC..PPolyproline II helixtrans-66.2158.1177.870.7173.6000111.2Y19 D237 L238 H240 E250 I251Y19-I246 PolarHBondContact OH-O 3.06Å; D237-I246 WeakPolarHBondContact O-CD1 3.32Å; L238-I246 PolarHBondContact O-N 3.26Å; L238-I246 VanDerWaalsContact O-N 3.07Å; H240-I246 VanDerWaalsContact CE1-CG2 3.47Å; H240-I246 WeakPolarHBondContact CE1-CG2 3.33Å; I246-E250 HydrophobicContact CD1-CB 4.02Å; I246-E250 HydrophobicContact CG1-CB 4.48Å; I246-I251 HydrophobicContact CD1-CG1 3.69Å; I246-I251 HydrophobicContact CG1-CD1 4Å; I246-I251 HydrophobicContact CG1-CG1 3.59Å
247P94.7Very high94.6Very high22 Ų2236 Ų3614%0.14319%0.19CC..PPolyproline II helixtrans-55.6145.7177.6-2937000114.3Y14 Q249 E250 I251Y14-P247 HydrophobicContact CD2-CB 3.66Å; Y14-P247 HydrophobicContact CD2-CG 3.7Å; Y14-P247 HydrophobicContact CE2-CB 3.71Å; Y14-P247 HydrophobicContact CE2-CG 4.2Å; Y14-P247 HydrophobicContact CG-CB 4.23Å; Y14-P247 HydrophobicContact CG-CG 4.29Å; P247-Q249 PolarHBondContact O-N 3.46Å; P247-E250 HydrophobicContact CB-CG 4.32Å; P247-E250 WeakPolarHBondContact CD-OE1 3.24Å; P247-E250 HydrophobicContact CG-CG 4.47Å; P247-E250 WeakPolarHBondContact CG-OE1 3.4Å; P247-E250 PolarHBondContact O-N 3.1Å; P247-I251 PolarHBondContact O-N 3.43Å
248P93.8Very high94.4Very high1 Ų134.2 Ų34.21%0.00618%0.18CC..Hα-helixtrans-57.5-33.5178.7-25.736.4000113.4Y14 Y19 V144 E250 I251 F252 W379 V380Y14-P248 HydrophobicContact CE1-CG 4.01Å; Y19-P248 HydrophobicContact CD2-CG 4.48Å; Y19-P248 HydrophobicContact CE2-CG 3.45Å; Y19-P248 VanDerWaalsContact CE2-CG 3.45Å; Y19-P248 WeakPolarHBondContact OH-CD 3.25Å; Y19-P248 WeakPolarHBondContact OH-CG 3.5Å; V144-P248 HydrophobicContact CG2-CB 4.07Å; V144-P248 HydrophobicContact CG2-CG 4.31Å; P248-E250 VanDerWaalsContact C-N 3.32Å; P248-E250 PolarHBondContact O-N 3.05Å; P248-I251 PolarHBondContact O-N 3.33Å; P248-F252 WeakPolarHBondContact O-CB 3.32Å; P248-F252 PolarHBondContact O-N 3.38Å; P248-W379 HydrophobicContact CB-CB 4.18Å; P248-W379 HydrophobicContact CG-CB 4.06Å; P248-V380 HydrophobicContact CB-CG1 3.91Å
249Q90.8Very high94.2Very high88 Ų8835.5 Ų35.541%0.41119%0.187SC..Hα-helixtrans-69-30-179.8-63.676.118.100112.3Y14 P247 S253Y14-Q249 VanDerWaalsContact OH-CD 3.24Å; Y14-Q249 PolarHBondContact OH-NE2 2.92Å; Y14-Q249 PolarHBondContact OH-OE1 2.98Å; P247-Q249 PolarHBondContact O-N 3.46Å; Q249-S253 WeakPolarHBondContact O-CB 3.45Å; Q249-S253 PolarHBondContact O-N 3.24Å; Q249-S253 PolarHBondContact O-OG 2.89Å
250E92.4Very high93.8Very high84 Ų8440 Ų4039%0.39321%0.208SC..Hα-helixtrans-72.2-40.3174-69.1-177.2-146.600110.9I246 P247 P248 S253 S254I246-E250 HydrophobicContact CD1-CB 4.02Å; I246-E250 HydrophobicContact CG1-CB 4.48Å; P247-E250 HydrophobicContact CB-CG 4.32Å; P247-E250 WeakPolarHBondContact CD-OE1 3.24Å; P247-E250 HydrophobicContact CG-CG 4.47Å; P247-E250 WeakPolarHBondContact CG-OE1 3.4Å; P247-E250 PolarHBondContact O-N 3.1Å; P248-E250 VanDerWaalsContact C-N 3.32Å; P248-E250 PolarHBondContact O-N 3.05Å; E250-S253 PolarHBondContact O-N 2.91Å; E250-S254 WeakPolarHBondContact O-CB 3.4Å; E250-S254 PolarHBondContact O-N 2.97Å; E250-S254 PolarHBondContact O-OG 3.15Å
251I95.1Very high93.5Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-62.7-46.3173.3-59.5174.1000110.2T140 L143 V144 L238 L245 I246 P247 P248 S254 L255T140-I251 HydrophobicContact CG2-CB 4.29Å; T140-I251 HydrophobicContact CG2-CG2 4.11Å; L143-I251 HydrophobicContact CB-CG2 4.05Å; L143-I251 HydrophobicContact CD1-CG2 3.71Å; L143-I251 HydrophobicContact CG-CG2 4.5Å; V144-I251 HydrophobicContact CG2-CD1 3.74Å; L238-I251 HydrophobicContact CD2-CD1 4.13Å; L238-I251 HydrophobicContact CD2-CG1 3.94Å; L238-I251 HydrophobicContact CD2-CG2 4.32Å; L245-I251 HydrophobicContact CD1-CD1 4.15Å; I246-I251 HydrophobicContact CD1-CG1 3.69Å; I246-I251 HydrophobicContact CG1-CD1 4Å; I246-I251 HydrophobicContact CG1-CG1 3.59Å; P247-I251 PolarHBondContact O-N 3.43Å; P248-I251 PolarHBondContact O-N 3.33Å; I251-S254 WeakPolarHBondContact O-CB 3.46Å; I251-S254 PolarHBondContact O-N 3.14Å; I251-L255 HydrophobicContact CG2-CD1 4.41Å; I251-L255 WeakPolarHBondContact O-CG 3.32Å; I251-L255 PolarHBondContact O-N 3.31Å
252F93.3Very high93.2Very high20 Ų2038.2 Ų38.29%0.08820%0.203CC..Hα-helixtrans-56.3-51.6175.6-173.4-83000111.5L136 T140 P248 S254 L255 N256 V380 V387L136-F252 HydrophobicContact CD1-CD2 4.32Å; L136-F252 HydrophobicContact CD1-CE2 4.38Å; L136-F252 HydrophobicContact CD2-CD1 4.35Å; L136-F252 HydrophobicContact CD2-CD2 4.42Å; L136-F252 HydrophobicContact CD2-CE1 3.64Å; L136-F252 HydrophobicContact CD2-CE2 3.76Å; L136-F252 HydrophobicContact CD2-CZ 3.32Å; L136-F252 HydrophobicContact CG-CD2 4.04Å; L136-F252 HydrophobicContact CG-CE1 4.29Å; L136-F252 HydrophobicContact CG-CE2 3.61Å; L136-F252 HydrophobicContact CG-CZ 3.76Å; T140-F252 HydrophobicContact CG2-CB 4Å; T140-F252 HydrophobicContact CG2-CD2 4.39Å; T140-F252 WeakPolarHBondContact OG1-CA 3.4Å; P248-F252 WeakPolarHBondContact O-CB 3.32Å; P248-F252 PolarHBondContact O-N 3.38Å; F252-S254 VanDerWaalsContact C-N 3.29Å; F252-S254 PolarHBondContact O-N 3.21Å; F252-L255 PolarHBondContact O-N 3.48Å; F252-N256 VanDerWaalsContact O-CB 3.31Å; F252-N256 WeakPolarHBondContact O-CB 3.45Å; F252-N256 PolarHBondContact O-N 3.07Å; F252-V380 HydrophobicContact CB-CG1 4.41Å; F252-V380 HydrophobicContact CD2-CB 4.24Å; F252-V380 HydrophobicContact CD2-CG1 4.19Å; F252-V380 HydrophobicContact CD2-CG2 4.13Å; F252-V387 HydrophobicContact CE1-CG2 3.83Å; F252-V387 HydrophobicContact CZ-CG2 4.48Å
253S91.8Very high92.8Very high28 Ų2834.8 Ų34.820%0.19619%0.185CC..Hα-helixtrans-58-42.2178.5-68.10000111.9Q249 E250 N256 Y257 Q390Q249-S253 WeakPolarHBondContact O-CB 3.45Å; Q249-S253 PolarHBondContact O-N 3.24Å; Q249-S253 PolarHBondContact O-OG 2.89Å; E250-S253 PolarHBondContact O-N 2.91Å; S253-N256 PolarHBondContact O-N 3.05Å; S253-Y257 WeakPolarHBondContact O-CB 3.41Å; S253-Y257 PolarHBondContact O-N 3.42Å; S253-Q390 PolarHBondContact O-OE1 2.94Å; S253-Q390 PolarHBondContact OG-NE2 2.72Å; S253-Q390 PolarHBondContact OG-OE1 2.78Å
254S95Very high92.8Very high0 Ų039.1 Ų39.10%021%0.207CC..Hα-helixtrans-63.9-45.1177.3-59.30000113.3E250 I251 F252 I258 C395 V396E250-S254 WeakPolarHBondContact O-CB 3.4Å; E250-S254 PolarHBondContact O-N 2.97Å; E250-S254 PolarHBondContact O-OG 3.15Å; I251-S254 WeakPolarHBondContact O-CB 3.46Å; I251-S254 PolarHBondContact O-N 3.14Å; F252-S254 VanDerWaalsContact C-N 3.29Å; F252-S254 PolarHBondContact O-N 3.21Å; S254-I258 WeakPolarHBondContact O-CG1 3.02Å; S254-I258 PolarHBondContact O-N 3.2Å; S254-C395 PolarHBondContact OG-SG 3.25Å; S254-V396 VanDerWaalsContact CB-CG2 3.5Å
255L95.5Very high92.8Very high1 Ų139.7 Ų39.71%0.00522%0.217CC..Hα-helixtrans-69.6-39.7176.2-69-177.6000111.9L136 A139 L143 V227 I236 I251 F252 Y257 I258 L259 L308 L310L136-L255 HydrophobicContact CD1-CB 3.51Å; A139-L255 HydrophobicContact CB-CD1 3.79Å; L143-L255 HydrophobicContact CD1-CD1 3.88Å; L143-L255 HydrophobicContact CD1-CD2 4.17Å; L143-L255 HydrophobicContact CD1-CG 4.27Å; V227-L255 HydrophobicContact CG1-CD2 4.44Å; V227-L255 HydrophobicContact CG2-CD2 4.11Å; I236-L255 HydrophobicContact CD1-CD2 3.7Å; I236-L255 HydrophobicContact CD1-CG 4.37Å; I251-L255 HydrophobicContact CG2-CD1 4.41Å; I251-L255 WeakPolarHBondContact O-CG 3.32Å; I251-L255 PolarHBondContact O-N 3.31Å; F252-L255 PolarHBondContact O-N 3.48Å; L255-Y257 VanDerWaalsContact C-N 3.33Å; L255-Y257 PolarHBondContact O-N 2.62Å; L255-I258 PolarHBondContact O-N 3.48Å; L255-L259 WeakPolarHBondContact O-CG 2.71Å; L255-L259 PolarHBondContact O-N 3.48Å; L255-L308 HydrophobicContact CD1-CD2 4.22Å; L255-L308 HydrophobicContact CD2-CD2 3.65Å; L255-L310 HydrophobicContact CD2-CD1 4.43Å
256N93.2Very high92.7Very high3 Ų340.7 Ų40.72%0.01623%0.226CC..Hα-helixtrans-59.3-46.5176-173.750.2000110.6L136 F252 S253 I258 L259 Q260L136-N256 HydrophobicContact CD1-CB 4.23Å; L136-N256 HydrophobicContact CD2-CB 3.79Å; F252-N256 VanDerWaalsContact O-CB 3.31Å; F252-N256 WeakPolarHBondContact O-CB 3.45Å; F252-N256 PolarHBondContact O-N 3.07Å; S253-N256 PolarHBondContact O-N 3.05Å; N256-I258 VanDerWaalsContact C-N 3.34Å; N256-I258 PolarHBondContact O-N 3.42Å; N256-L259 PolarHBondContact O-N 2.98Å; N256-Q260 WeakPolarHBondContact O-CB 3.44Å; N256-Q260 VanDerWaalsContact O-CG 3.24Å; N256-Q260 WeakPolarHBondContact O-CG 3.41Å; N256-Q260 PolarHBondContact O-N 3.38Å
257Y93.7Very high92.7Very high55 Ų5544.6 Ų44.622%0.21626%0.259CS..Hα-helixtrans-52.3-50.6174.4173.4-100.6000111.7S253 L255 L259 Q260 M261 Q390 C392 V396S253-Y257 WeakPolarHBondContact O-CB 3.41Å; S253-Y257 PolarHBondContact O-N 3.42Å; L255-Y257 VanDerWaalsContact C-N 3.33Å; L255-Y257 PolarHBondContact O-N 2.62Å; Y257-L259 PolarHBondContact O-N 3.42Å; Y257-Q260 PolarHBondContact O-N 2.94Å; Y257-M261 HydrophobicContact CD1-SD 4.43Å; Y257-M261 HydrophobicContact CE1-CG 4.22Å; Y257-M261 HydrophobicContact CE1-SD 3.75Å; Y257-M261 WeakPolarHBondContact O-CG 3.49Å; Y257-M261 PolarHBondContact O-N 3.07Å; Y257-M261 VanDerWaalsContact O-N 3.1Å; Y257-Q390 WeakPolarHBondContact CD2-O 3.47Å; Y257-C392 HydrophobicContact CD2-CB 4.44Å; Y257-C392 HydrophobicContact CE1-CB 3.93Å; Y257-C392 VanDerWaalsContact CE1-SG 3.55Å; Y257-C392 HydrophobicContact CE2-CB 3.8Å; Y257-V396 HydrophobicContact CD1-CG1 4.22Å; Y257-V396 HydrophobicContact CE1-CG1 4.38Å
258I94.8Very high92.8Very high0 Ų046.9 Ų46.90%027%0.267CS..Hα-helixtrans-63.4-39.5179.6-64.8171000112.4V227 R229 Y234 I236 S254 L255 N256 L310 V396V227-I258 HydrophobicContact CB-CD1 4.06Å; V227-I258 HydrophobicContact CG1-CD1 4.1Å; V227-I258 HydrophobicContact CG1-CG2 4.37Å; V227-I258 HydrophobicContact CG2-CD1 4.29Å; R229-I258 HydrophobicContact CB-CG2 4.3Å; R229-I258 PolarHBondContact NH1-O 3.48Å; Y234-I258 HydrophobicContact CD1-CD1 4.19Å; Y234-I258 HydrophobicContact CD1-CG1 4.06Å; Y234-I258 HydrophobicContact CD2-CD1 4.23Å; Y234-I258 HydrophobicContact CD2-CG1 4.42Å; Y234-I258 HydrophobicContact CD2-CG2 4Å; Y234-I258 HydrophobicContact CE1-CG1 4.37Å; Y234-I258 HydrophobicContact CE2-CG2 3.94Å; Y234-I258 HydrophobicContact CG-CD1 3.81Å; Y234-I258 HydrophobicContact CG-CG1 4.09Å; I236-I258 HydrophobicContact CD1-CD1 3.81Å; I236-I258 HydrophobicContact CG1-CD1 4.17Å; S254-I258 WeakPolarHBondContact O-CG1 3.02Å; S254-I258 PolarHBondContact O-N 3.2Å; L255-I258 PolarHBondContact O-N 3.48Å; N256-I258 VanDerWaalsContact C-N 3.34Å; N256-I258 PolarHBondContact O-N 3.42Å; I258-L310 HydrophobicContact CG2-CD1 4.43Å; I258-V396 HydrophobicContact CD1-CG1 4.22Å; I258-V396 HydrophobicContact CG1-CG1 4.26Å
259L93.1Very high93Very high27 Ų2747.1 Ų47.114%0.14127%0.269CS..Hα-helixtrans-68.5-36.5178.2-75.3172.2000112.3Q135 L136 R229 L255 N256 Y257 L310Q135-L259 VanDerWaalsContact OE1-CD2 3.31Å; L136-L259 HydrophobicContact CB-CD1 3.8Å; L136-L259 HydrophobicContact CD1-CD1 4.03Å; L136-L259 HydrophobicContact CG-CD1 4.37Å; R229-L259 VanDerWaalsContact CZ-O 3.27Å; R229-L259 PolarHBondContact NH1-O 3.27Å; R229-L259 PolarHBondContact NH2-O 3.48Å; L255-L259 WeakPolarHBondContact O-CG 2.71Å; L255-L259 PolarHBondContact O-N 3.48Å; N256-L259 PolarHBondContact O-N 2.98Å; Y257-L259 PolarHBondContact O-N 3.42Å; L259-L310 HydrophobicContact CD2-CB 4.27Å; L259-L310 HydrophobicContact CD2-CD1 3.87Å; L259-L310 HydrophobicContact CG-CD1 4.05Å
260Q90.6Very high93.3Very high107 Ų10743.5 Ų43.550%0.525%0.253SS..Hα-helixtrans-80.7-15-180-63.9-60.5-25.200113.6N256 Y257 P262N256-Q260 WeakPolarHBondContact O-CB 3.44Å; N256-Q260 VanDerWaalsContact O-CG 3.24Å; N256-Q260 WeakPolarHBondContact O-CG 3.41Å; N256-Q260 PolarHBondContact O-N 3.38Å; Y257-Q260 PolarHBondContact O-N 2.94Å; Q260-P262 WeakPolarHBondContact O-CD 3.36Å
261M88.7Confident93.5Very high32 Ų3239.5 Ų39.516%0.15823%0.234CC..SBendtrans-59.1123.7176.4-75.5-171.978.200110.9R229 Y234 Y257 L263R229-M261 PolarHBondContact NH1-O 3.07Å; Y234-M261 HydrophobicContact CE1-SD 3.72Å; Y234-M261 PolarHBondContact OH-SD 3.19Å; Y234-M261 VanDerWaalsContact OH-SD 3.37Å; Y257-M261 HydrophobicContact CD1-SD 4.43Å; Y257-M261 HydrophobicContact CE1-CG 4.22Å; Y257-M261 HydrophobicContact CE1-SD 3.75Å; Y257-M261 WeakPolarHBondContact O-CG 3.49Å; Y257-M261 PolarHBondContact O-N 3.07Å; Y257-M261 VanDerWaalsContact O-N 3.1Å; M261-L263 VanDerWaalsContact C-N 3.28Å; M261-L263 HydrophobicContact CB-CD1 3.72Å; M261-L263 HydrophobicContact CB-CG 3.98Å; M261-L263 HydrophobicContact CE-CD1 3.93Å; M261-L263 HydrophobicContact CE-CD2 4.26Å; M261-L263 HydrophobicContact CE-CG 4.33Å; M261-L263 PolarHBondContact O-N 2.82Å; M261-L263 HydrophobicContact SD-CD1 4.07Å
262P85.9Confident93.7Very high130 Ų13039.5 Ų39.584%0.84423%0.234SC*.  trans-79.674.2-179.332.9-35.6000110.7Q260Q260-P262 WeakPolarHBondContact O-CD 3.36Å
263L83.5Confident93.9Very high28 Ų2838.6 Ų38.615%0.14723%0.23CC..  trans-105.5131-175.9-67.1163.5000111.7R230 Y234 M261R230-L263 WeakPolarHBondContact CD-O 3.42Å; R230-L263 PolarHBondContact NH1-O 2.99Å; Y234-L263 WeakPolarHBondContact OH-CD1 3.46Å; M261-L263 VanDerWaalsContact C-N 3.28Å; M261-L263 HydrophobicContact CB-CD1 3.72Å; M261-L263 HydrophobicContact CB-CG 3.98Å; M261-L263 HydrophobicContact CE-CD1 3.93Å; M261-L263 HydrophobicContact CE-CD2 4.26Å; M261-L263 HydrophobicContact CE-CG 4.33Å; M261-L263 PolarHBondContact O-N 2.82Å; M261-L263 HydrophobicContact SD-CD1 4.07Å
264T93.4Very high94.3Very high112 Ų11237.2 Ų37.269%0.68722%0.22SC*.PPolyproline II helixtrans-68.8155161.952.60000110H232 A266H232-T264 PolarHBondContact NE2-O 3.16Å; T264-A266 PolarHBondContact O-N 3.32Å
265P95.7Very high94.4Very high89 Ų8937.5 Ų37.558%0.57822%0.222SC*.PPolyproline II helixtrans-51.3140.9170-26.235.3000112.3R230 A267R230-P265 WeakPolarHBondContact O-CA 3.4Å; P265-A267 PolarHBondContact O-N 3.21Å
266A95.9Very high94.6Very high22 Ų2237.9 Ų37.918%0.18222%0.224CC..PPolyproline II helixtrans-55.7129.6178.600000110.1R230 H232 T264 H268 P269R230-A266 PolarHBondContact O-N 3.15Å; H232-A266 PolarHBondContact NE2-N 2.97Å; T264-A266 PolarHBondContact O-N 3.32Å; A266-H268 PolarHBondContact O-N 2.97Å; A266-P269 HydrophobicContact CB-CB 4.43Å
267A95.5Very high94.7Very high88 Ų8840.8 Ų40.873%0.72724%0.239SC*.SBendtrans-60.7-34179.100000111.8P265P265-A267 PolarHBondContact O-N 3.21Å
268H97.2Very high94.9Very high69 Ų6938.1 Ų38.132%0.31923%0.229SC..SBendtrans-129.781.8179.9-58-70.4000109.8A266 I270 L403 I411A266-H268 PolarHBondContact O-N 2.97Å; H268-I270 PolarHBondContact O-N 2.91Å; H268-I270 VanDerWaalsContact O-N 3.09Å; H268-L403 HydrophobicContact CB-CD1 3.46Å; H268-L403 VanDerWaalsContact CB-CD1 3.46Å; H268-I411 HydrophobicContact CB-CD1 3.8Å; H268-I411 HydrophobicContact CB-CG2 4.41Å
269P97.4Very high95Very high7 Ų743.5 Ų43.55%0.04525%0.254CS..  trans-74.1104.8-17525.9-28.5000111A266 G271 L272 T331A266-P269 HydrophobicContact CB-CB 4.43Å; P269-G271 PolarHBondContact O-N 3Å; P269-L272 HydrophobicContact CG-CD1 3.77Å; P269-L272 HydrophobicContact CG-CG 4.37Å; P269-L272 WeakPolarHBondContact O-CB 3.49Å; P269-L272 PolarHBondContact O-N 2.97Å; P269-L272 VanDerWaalsContact O-N 3.17Å; P269-T331 HydrophobicContact CB-CG2 4.26Å; P269-T331 HydrophobicContact CG-CG2 3.79Å
270I97.3Very high95.2Very high12 Ų1245.5 Ų45.56%0.06226%0.263CS..G310 helixtrans-66.6-20.9-171.1-64.7171.2000113F233 H268 L272 F273 W334 I401 L403 I411F233-I270 HydrophobicContact CE2-CB 4.29Å; H268-I270 PolarHBondContact O-N 2.91Å; H268-I270 VanDerWaalsContact O-N 3.09Å; I270-L272 PolarHBondContact O-N 3.07Å; I270-L272 VanDerWaalsContact O-N 3.12Å; I270-F273 HydrophobicContact CG2-CD2 3.91Å; I270-F273 HydrophobicContact CG2-CE2 4.37Å; I270-F273 PolarHBondContact O-N 3.07Å; I270-W334 HydrophobicContact CG2-CZ3 4.39Å; I270-I401 HydrophobicContact CD1-CB 3.35Å; I270-I401 HydrophobicContact CD1-CD1 3.94Å; I270-I401 HydrophobicContact CD1-CG1 4.19Å; I270-I401 HydrophobicContact CD1-CG2 3.55Å; I270-I401 HydrophobicContact CG2-CD1 4.01Å; I270-L403 HydrophobicContact CD1-CD1 4.29Å; I270-L403 HydrophobicContact CD1-CD2 4.03Å; I270-L403 HydrophobicContact CD1-CG 4.3Å; I270-L403 HydrophobicContact CG1-CD1 4.23Å; I270-L403 HydrophobicContact CG1-CD2 4.26Å; I270-I411 HydrophobicContact CG1-CD1 3.98Å
271G97.7Very high95.6Very high0 Ų040.4 Ų40.40%024%0.239CC..G310 helixtrans-53.9-29.3172.700000113.5P269 F273 T274 G330 R333P269-G271 PolarHBondContact O-N 3Å; G271-F273 PolarHBondContact O-N 3.47Å; G271-T274 WeakPolarHBondContact O-CB 3.33Å; G271-T274 PolarHBondContact O-N 3.32Å; G271-T274 PolarHBondContact O-OG1 2.96Å; G271-G330 CarbonylContact C-O 3.59Å; G271-R333 WeakPolarHBondContact CA-O 3.39Å
272L98.4Very high96Very high0 Ų039.5 Ų39.50%024%0.236CC..G310 helixtrans-58.9-27.8176.7-77.3171.4000113.4P269 I270 T274 T275 G330 I411 A414 K415 Y418P269-L272 HydrophobicContact CG-CD1 3.77Å; P269-L272 HydrophobicContact CG-CG 4.37Å; P269-L272 WeakPolarHBondContact O-CB 3.49Å; P269-L272 PolarHBondContact O-N 2.97Å; P269-L272 VanDerWaalsContact O-N 3.17Å; I270-L272 PolarHBondContact O-N 3.07Å; I270-L272 VanDerWaalsContact O-N 3.12Å; L272-T274 PolarHBondContact O-N 2.83Å; L272-T275 WeakPolarHBondContact O-CB 3.4Å; L272-T275 PolarHBondContact O-N 3.44Å; L272-T275 PolarHBondContact O-OG1 2.9Å; L272-G330 PolarHBondContact N-O 2.65Å; L272-I411 HydrophobicContact CD1-CG2 3.89Å; L272-A414 HydrophobicContact CB-CB 4.28Å; L272-K415 HydrophobicContact CD1-CB 3.58Å; L272-K415 HydrophobicContact CD1-CD 4.31Å; L272-K415 HydrophobicContact CD1-CG 3.93Å; L272-Y418 HydrophobicContact CD2-CD1 4.33Å
273F98.5Very high96.6Very high0 Ų036.2 Ų36.20%022%0.216CC..G310 helixtrans-65.5-23.2177.3-66-42.5000113.2I270 G271 T275 L276 W281 I284 L288 L403 L407 A410 I411I270-F273 HydrophobicContact CG2-CD2 3.91Å; I270-F273 HydrophobicContact CG2-CE2 4.37Å; I270-F273 PolarHBondContact O-N 3.07Å; G271-F273 PolarHBondContact O-N 3.47Å; F273-T275 PolarHBondContact O-N 3.05Å; F273-L276 HydrophobicContact CB-CD1 4.46Å; F273-L276 HydrophobicContact CD1-CD1 3.87Å; F273-L276 PolarHBondContact O-N 3.38Å; F273-W281 HydrophobicContact CB-CD2 4.09Å; F273-W281 HydrophobicContact CB-CE3 3.44Å; F273-W281 VanDerWaalsContact CB-CE3 3.44Å; F273-W281 HydrophobicContact CB-CH2 3.84Å; F273-W281 HydrophobicContact CB-CZ2 4.41Å; F273-W281 HydrophobicContact CB-CZ3 3.3Å; F273-W281 HydrophobicContact CD2-CH2 4.43Å; F273-W281 AromaticContact CD2-CZ3 3.89Å; F273-W281 HydrophobicContact CD2-CZ3 3.89Å; F273-W281 HydrophobicContact CG-CE3 4.23Å; F273-W281 AromaticContact CG-CZ3 3.87Å; F273-W281 HydrophobicContact CG-CZ3 3.87Å; F273-I284 HydrophobicContact CD1-CD1 3.93Å; F273-I284 HydrophobicContact CD1-CG2 3.83Å; F273-I284 HydrophobicContact CD2-CG2 3.82Å; F273-I284 HydrophobicContact CE1-CD1 3.85Å; F273-I284 HydrophobicContact CE1-CG2 3.71Å; F273-I284 HydrophobicContact CE2-CG2 3.72Å; F273-I284 HydrophobicContact CG-CG2 3.85Å; F273-I284 HydrophobicContact CZ-CG2 3.61Å; F273-L288 HydrophobicContact CD2-CD1 3.97Å; F273-L288 HydrophobicContact CE2-CD1 4.01Å; F273-L288 HydrophobicContact CE2-CD2 4.34Å; F273-L403 HydrophobicContact CE2-CD2 4.48Å; F273-L407 HydrophobicContact CZ-CB 4.46Å; F273-L407 HydrophobicContact CZ-CD2 4.16Å; F273-A410 HydrophobicContact CE1-CB 3.92Å; F273-A410 HydrophobicContact CZ-CB 4.42Å; F273-I411 HydrophobicContact CD1-CG1 4.08Å; F273-I411 HydrophobicContact CD2-CG1 4.37Å; F273-I411 HydrophobicContact CE1-CB 4.37Å; F273-I411 HydrophobicContact CE1-CD1 4.32Å; F273-I411 HydrophobicContact CE1-CG1 3.35Å; F273-I411 HydrophobicContact CE2-CD1 3.75Å; F273-I411 HydrophobicContact CE2-CG1 3.68Å; F273-I411 HydrophobicContact CZ-CB 4.46Å; F273-I411 HydrophobicContact CZ-CD1 3.66Å; F273-I411 HydrophobicContact CZ-CG1 3.15Å
274T98.5Very high97.3Very high0 Ų035.3 Ų35.30%021%0.211CC..G310 helixtrans-74.8-7.9175.3690000113.4G271 L272 W281 W334 F335 D336G271-T274 WeakPolarHBondContact O-CB 3.33Å; G271-T274 PolarHBondContact O-N 3.32Å; G271-T274 PolarHBondContact O-OG1 2.96Å; L272-T274 PolarHBondContact O-N 2.83Å; T274-W281 HydrophobicContact CG2-CZ2 4.18Å; T274-W334 HydrophobicContact CG2-CD2 3.69Å; T274-W334 HydrophobicContact CG2-CE3 3.65Å; T274-W334 HydrophobicContact CG2-CG 4.32Å; T274-W334 HydrophobicContact CG2-CH2 3.98Å; T274-W334 HydrophobicContact CG2-CZ2 4.01Å; T274-W334 HydrophobicContact CG2-CZ3 3.8Å; T274-F335 WeakPolarHBondContact OG1-CD2 3.49Å; T274-F335 PolarHBondContact OG1-N 2.76Å; T274-F335 VanDerWaalsContact OG1-N 3.14Å; T274-D336 HydrophobicContact CG2-CB 4.4Å
275T98.5Very high97.5Very high6 Ų632.3 Ų32.34%0.03719%0.187CC..G310 helixtrans-91.2-10.7175.475.90000113.5A113 P115 L272 F273 F335 Y418A113-T275 WeakPolarHBondContact CB-O 3.41Å; P115-T275 HydrophobicContact CG-CG2 4.25Å; L272-T275 WeakPolarHBondContact O-CB 3.4Å; L272-T275 PolarHBondContact O-N 3.44Å; L272-T275 PolarHBondContact O-OG1 2.9Å; F273-T275 PolarHBondContact O-N 3.05Å; T275-F335 HydrophobicContact CG2-CD2 3.81Å; T275-F335 HydrophobicContact CG2-CE2 3.66Å; T275-Y418 VanDerWaalsContact CB-CD2 3.42Å; T275-Y418 HydrophobicContact CG2-CD1 4.12Å; T275-Y418 HydrophobicContact CG2-CD2 3.82Å; T275-Y418 HydrophobicContact CG2-CE1 3.97Å; T275-Y418 HydrophobicContact CG2-CE2 3.66Å; T275-Y418 HydrophobicContact CG2-CG 4.03Å
276L98.2Very high97.6Very high8 Ų830.7 Ų30.74%0.04218%0.178CC..SBendtrans-71.3164.6-178.2-65175.4000111.6A113 F273 E280 W281 I284 A414A113-L276 WeakPolarHBondContact CA-O 3.41Å; A113-L276 WeakPolarHBondContact CB-O 3.34Å; F273-L276 HydrophobicContact CB-CD1 4.46Å; F273-L276 HydrophobicContact CD1-CD1 3.87Å; F273-L276 PolarHBondContact O-N 3.38Å; L276-E280 HydrophobicContact CD1-CG 4.13Å; L276-W281 HydrophobicContact CB-CB 4.27Å; L276-I284 HydrophobicContact CD1-CD1 3.43Å; L276-I284 VanDerWaalsContact CD1-CD1 3.43Å; L276-A414 HydrophobicContact CD2-CB 3.68Å; L276-A414 HydrophobicContact CG-CB 4.25Å
277N97.1Very high97.7Very high64 Ų6433.2 Ų33.234%0.34219%0.186SC..  trans-57.6149165.697.2-50000108.8E279 E280 W281N277-E279 PolarHBondContact O-N 3.11Å; N277-E280 PolarHBondContact O-N 2.91Å; N277-E280 WeakPolarHBondContact OD1-CB 3.46Å; N277-E280 PolarHBondContact OD1-N 3.43Å; N277-W281 WeakPolarHBondContact O-CB 3.47Å; N277-W281 PolarHBondContact O-N 3.44Å
278R98.1Very high97.8Very high0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-69.9-23.9-165.5-51-58.1-60.3168.5-3.9112.3R111 A112 L114 D214 S282 D336R111-R278 PolarHBondContact NH2-O 3.01Å; R111-R278 PolarHBondContact O-N 3.44Å; A112-R278 WeakPolarHBondContact O-CD 3.4Å; A112-R278 WeakPolarHBondContact O-CG 3.42Å; L114-R278 VanDerWaalsContact CD1-CZ 3.46Å; L114-R278 VanDerWaalsContact CG-NH1 3.33Å; D214-R278 IonicContact OD2-CZ 3.58Å; D214-R278 IonicContact OD2-NE 2.65Å; D214-R278 PolarHBondContact OD2-NE 3.39Å; D214-R278 IonicContact OD2-NH2 3.49Å; D214-R278 PolarHBondContact OD2-NH2 3.46Å; R278-S282 WeakPolarHBondContact O-CB 3.45Å; R278-S282 PolarHBondContact O-N 3.21Å; R278-D336 IonicContact CZ-OD1 3.49Å; R278-D336 IonicContact NH1-OD1 3.52Å; R278-D336 PolarHBondContact NH1-OD1 3.26Å; R278-D336 IonicContact NH2-OD1 3.84Å; R278-D336 PolarHBondContact NH2-OD1 3.37Å; R278-D336 IonicContact NH2-OD2 2.74Å
279E96.7Very high97.8Very high113 Ų11328.7 Ų28.753%0.52815%0.152SC..Hα-helixtrans-74.8-47.5178.1-173.8171.6-178.400112.1N277 W281 S282 S283N277-E279 PolarHBondContact O-N 3.11Å; E279-W281 VanDerWaalsContact C-N 3.31Å; E279-W281 PolarHBondContact O-N 2.78Å; E279-S282 WeakPolarHBondContact O-CB 3.29Å; E279-S282 PolarHBondContact O-N 2.75Å; E279-S283 PolarHBondContact O-N 3.14Å; E279-S283 VanDerWaalsContact O-N 3.07Å
280E97.3Very high97.8Very high69 Ų6936 Ų3632%0.32219%0.187SC..Hα-helixtrans-61.1-43.5173.2-174.6-179.6-174.400110.5L276 N277 S282 S283 I284L276-E280 HydrophobicContact CD1-CG 4.13Å; N277-E280 PolarHBondContact O-N 2.91Å; N277-E280 WeakPolarHBondContact OD1-CB 3.46Å; N277-E280 PolarHBondContact OD1-N 3.43Å; E280-S282 VanDerWaalsContact C-N 3.3Å; E280-S282 PolarHBondContact O-N 2.89Å; E280-S283 WeakPolarHBondContact O-CB 3.14Å; E280-S283 PolarHBondContact O-N 3.46Å; E280-I284 HydrophobicContact CG-CD1 3.88Å; E280-I284 HydrophobicContact CG-CG1 4.37Å; E280-I284 WeakPolarHBondContact O-CG1 3.27Å; E280-I284 PolarHBondContact O-N 2.8Å
281W98.1Very high97.8Very high0 Ų037.1 Ų37.10%019%0.193CC..Hα-helixtrans-60.3-40.2175.9-178.3-152.5000112.1P209 F273 T274 L276 N277 E279 S283 I284 R285 L288 W334 D336P209-W281 HydrophobicContact CB-CB 4.29Å; P209-W281 HydrophobicContact CB-CG 3.93Å; P209-W281 VanDerWaalsContact CG-CD1 3.41Å; P209-W281 HydrophobicContact CG-CD2 4.02Å; P209-W281 HydrophobicContact CG-CG 3.78Å; F273-W281 HydrophobicContact CB-CD2 4.09Å; F273-W281 HydrophobicContact CB-CE3 3.44Å; F273-W281 VanDerWaalsContact CB-CE3 3.44Å; F273-W281 HydrophobicContact CB-CH2 3.84Å; F273-W281 HydrophobicContact CB-CZ2 4.41Å; F273-W281 HydrophobicContact CB-CZ3 3.3Å; F273-W281 HydrophobicContact CD2-CH2 4.43Å; F273-W281 AromaticContact CD2-CZ3 3.89Å; F273-W281 HydrophobicContact CD2-CZ3 3.89Å; F273-W281 HydrophobicContact CG-CE3 4.23Å; F273-W281 AromaticContact CG-CZ3 3.87Å; F273-W281 HydrophobicContact CG-CZ3 3.87Å; T274-W281 HydrophobicContact CG2-CZ2 4.18Å; L276-W281 HydrophobicContact CB-CB 4.27Å; N277-W281 WeakPolarHBondContact O-CB 3.47Å; N277-W281 PolarHBondContact O-N 3.44Å; E279-W281 VanDerWaalsContact C-N 3.31Å; E279-W281 PolarHBondContact O-N 2.78Å; W281-S283 VanDerWaalsContact C-N 3.3Å; W281-S283 PolarHBondContact O-N 3.32Å; W281-I284 HydrophobicContact CE3-CB 4.01Å; W281-I284 HydrophobicContact CE3-CG2 3.98Å; W281-I284 HydrophobicContact CZ3-CB 4.29Å; W281-I284 HydrophobicContact CZ3-CG2 3.81Å; W281-I284 PolarHBondContact O-N 3.5Å; W281-R285 HydrophobicContact CD2-CB 4.36Å; W281-R285 HydrophobicContact CE3-CB 4.01Å; W281-R285 HydrophobicContact CH2-CB 4.03Å; W281-R285 HydrophobicContact CH2-CG 4.3Å; W281-R285 HydrophobicContact CZ2-CB 4.36Å; W281-R285 HydrophobicContact CZ2-CG 4.49Å; W281-R285 HydrophobicContact CZ3-CB 3.85Å; W281-R285 VanDerWaalsContact O-CB 3.23Å; W281-R285 WeakPolarHBondContact O-CB 3.25Å; W281-R285 PolarHBondContact O-N 3.45Å; W281-L288 HydrophobicContact CH2-CD1 3.94Å; W281-L288 HydrophobicContact CZ3-CD1 3.8Å; W281-W334 HydrophobicContact CH2-CH2 4.15Å; W281-W334 AromaticContact CZ2-CH2 3.87Å; W281-W334 HydrophobicContact CZ2-CH2 3.87Å; W281-W334 HydrophobicContact CZ2-CZ2 4.15Å; W281-D336 PolarHBondContact NE1-OD2 2.93Å
282S98Very high97.8Very high12 Ų1245.3 Ų45.38%0.08423%0.231CC..Hα-helixtrans-59.8-41.2174.3-178.20000112V210 M211 R278 E279 E280 S286V210-S282 WeakPolarHBondContact CA-OG 3.4Å; M211-S282 PolarHBondContact N-OG 2.77Å; M211-S282 VanDerWaalsContact N-OG 3.12Å; R278-S282 WeakPolarHBondContact O-CB 3.45Å; R278-S282 PolarHBondContact O-N 3.21Å; E279-S282 WeakPolarHBondContact O-CB 3.29Å; E279-S282 PolarHBondContact O-N 2.75Å; E280-S282 VanDerWaalsContact C-N 3.3Å; E280-S282 PolarHBondContact O-N 2.89Å; S282-S286 PolarHBondContact O-N 3.02Å; S282-S286 PolarHBondContact O-OG 3.01Å
283S97.7Very high97.5Very high62 Ų6247.3 Ų47.343%0.43425%0.252SS..Hα-helixtrans-66.1-50.7177.2-178.60000111.7E279 E280 W281 R285 S286 Q287E279-S283 PolarHBondContact O-N 3.14Å; E279-S283 VanDerWaalsContact O-N 3.07Å; E280-S283 WeakPolarHBondContact O-CB 3.14Å; E280-S283 PolarHBondContact O-N 3.46Å; W281-S283 VanDerWaalsContact C-N 3.3Å; W281-S283 PolarHBondContact O-N 3.32Å; S283-R285 VanDerWaalsContact C-N 3.35Å; S283-R285 PolarHBondContact O-N 3.09Å; S283-S286 WeakPolarHBondContact O-CB 3.34Å; S283-S286 PolarHBondContact O-N 2.8Å; S283-S286 VanDerWaalsContact O-N 3.1Å; S283-Q287 PolarHBondContact O-N 3.43Å; S283-Q287 PolarHBondContact OG-NE2 3.13Å
284I97.8Very high97.5Very high8 Ų847.3 Ų47.34%0.04125%0.252CS..Hα-helixtrans-61.5-42.5179.1-69.7175.8000111F273 L276 E280 W281 S286 Q287 L288 L407 A410F273-I284 HydrophobicContact CD1-CD1 3.93Å; F273-I284 HydrophobicContact CD1-CG2 3.83Å; F273-I284 HydrophobicContact CD2-CG2 3.82Å; F273-I284 HydrophobicContact CE1-CD1 3.85Å; F273-I284 HydrophobicContact CE1-CG2 3.71Å; F273-I284 HydrophobicContact CE2-CG2 3.72Å; F273-I284 HydrophobicContact CG-CG2 3.85Å; F273-I284 HydrophobicContact CZ-CG2 3.61Å; L276-I284 HydrophobicContact CD1-CD1 3.43Å; L276-I284 VanDerWaalsContact CD1-CD1 3.43Å; E280-I284 HydrophobicContact CG-CD1 3.88Å; E280-I284 HydrophobicContact CG-CG1 4.37Å; E280-I284 WeakPolarHBondContact O-CG1 3.27Å; E280-I284 PolarHBondContact O-N 2.8Å; W281-I284 HydrophobicContact CE3-CB 4.01Å; W281-I284 HydrophobicContact CE3-CG2 3.98Å; W281-I284 HydrophobicContact CZ3-CB 4.29Å; W281-I284 HydrophobicContact CZ3-CG2 3.81Å; W281-I284 PolarHBondContact O-N 3.5Å; I284-S286 PolarHBondContact O-N 3.48Å; I284-Q287 WeakPolarHBondContact O-CB 3.29Å; I284-Q287 PolarHBondContact O-N 2.94Å; I284-Q287 VanDerWaalsContact O-N 3.12Å; I284-L288 HydrophobicContact CG2-CD1 4.25Å; I284-L288 HydrophobicContact CG2-CG 4.44Å; I284-L288 WeakPolarHBondContact O-CG 3.44Å; I284-L288 PolarHBondContact O-N 2.85Å; I284-L407 HydrophobicContact CG2-CD2 3.8Å; I284-A410 HydrophobicContact CD1-CB 4.21Å
285R97.9Very high97.4Very high50 Ų5053.8 Ų53.819%0.18928%0.282CS..Hα-helixtrans-59.5-37.3176.2-173.1177.5178.3-79.1-7.5111.8P209 W281 S283 L288 L289P209-R285 HydrophobicContact CG-CB 4.12Å; P209-R285 VanDerWaalsContact CG-CD 3.45Å; P209-R285 HydrophobicContact CG-CG 4.42Å; W281-R285 HydrophobicContact CD2-CB 4.36Å; W281-R285 HydrophobicContact CE3-CB 4.01Å; W281-R285 HydrophobicContact CH2-CB 4.03Å; W281-R285 HydrophobicContact CH2-CG 4.3Å; W281-R285 HydrophobicContact CZ2-CB 4.36Å; W281-R285 HydrophobicContact CZ2-CG 4.49Å; W281-R285 HydrophobicContact CZ3-CB 3.85Å; W281-R285 VanDerWaalsContact O-CB 3.23Å; W281-R285 WeakPolarHBondContact O-CB 3.25Å; W281-R285 PolarHBondContact O-N 3.45Å; S283-R285 VanDerWaalsContact C-N 3.35Å; S283-R285 PolarHBondContact O-N 3.09Å; R285-L288 PolarHBondContact O-N 3.39Å; R285-L289 HydrophobicContact CG-CD1 4.5Å; R285-L289 WeakPolarHBondContact O-CG 3.23Å; R285-L289 PolarHBondContact O-N 2.92Å; R285-L289 VanDerWaalsContact O-N 3.1Å
286S97.2Very high97.3Very high55 Ų5561.1 Ų61.139%0.38532%0.316SS..Hα-helixtrans-67-41.2176.7-55.30000111.1S282 S283 I284 L289 M290S282-S286 PolarHBondContact O-N 3.02Å; S282-S286 PolarHBondContact O-OG 3.01Å; S283-S286 WeakPolarHBondContact O-CB 3.34Å; S283-S286 PolarHBondContact O-N 2.8Å; S283-S286 VanDerWaalsContact O-N 3.1Å; I284-S286 PolarHBondContact O-N 3.48Å; S286-L289 PolarHBondContact O-N 2.87Å; S286-M290 WeakPolarHBondContact O-CG 3.33Å; S286-M290 PolarHBondContact O-N 2.93Å
287Q97.8Very high97.2Very high75 Ų7561.5 Ų61.535%0.3532%0.319SS..Hα-helixtrans-63.8-40.8174-65.3173.849.500112.3S283 I284 L289 M290 L407S283-Q287 PolarHBondContact O-N 3.43Å; S283-Q287 PolarHBondContact OG-NE2 3.13Å; I284-Q287 WeakPolarHBondContact O-CB 3.29Å; I284-Q287 PolarHBondContact O-N 2.94Å; I284-Q287 VanDerWaalsContact O-N 3.12Å; Q287-L289 VanDerWaalsContact C-N 3.3Å; Q287-L289 PolarHBondContact O-N 3.44Å; Q287-M290 PolarHBondContact O-N 3.15Å; Q287-L407 HydrophobicContact CB-CD2 4.26Å
288L98Very high97.3Very high0 Ų058.8 Ų58.80%031%0.305CS..Hα-helixtrans-60.6-40.6175.3-72.5169.3000111.8F273 W281 I284 R285 M290 I291 N294 L298 I401 L403 L407F273-L288 HydrophobicContact CD2-CD1 3.97Å; F273-L288 HydrophobicContact CE2-CD1 4.01Å; F273-L288 HydrophobicContact CE2-CD2 4.34Å; W281-L288 HydrophobicContact CH2-CD1 3.94Å; W281-L288 HydrophobicContact CZ3-CD1 3.8Å; I284-L288 HydrophobicContact CG2-CD1 4.25Å; I284-L288 HydrophobicContact CG2-CG 4.44Å; I284-L288 WeakPolarHBondContact O-CG 3.44Å; I284-L288 PolarHBondContact O-N 2.85Å; R285-L288 PolarHBondContact O-N 3.39Å; L288-M290 VanDerWaalsContact C-N 3.28Å; L288-M290 PolarHBondContact O-N 3.12Å; L288-I291 PolarHBondContact O-N 2.78Å; L288-N294 WeakPolarHBondContact O-CB 3.3Å; L288-N294 PolarHBondContact O-ND2 3.35Å; L288-L298 HydrophobicContact CB-CD1 3.98Å; L288-I401 HydrophobicContact CD2-CG2 4Å; L288-L403 HydrophobicContact CD2-CD2 3.61Å; L288-L407 HydrophobicContact CD2-CD1 3.76Å; L288-L407 HydrophobicContact CD2-CD2 4.34Å; L288-L407 HydrophobicContact CG-CD1 4.4Å; L288-L407 HydrophobicContact CG-CD2 4.38Å
289L97.4Very high97.2Very high62 Ų6265.7 Ų65.733%0.32534%0.335SS..Hα-helixtrans-69.2-22.5178.2-72.9169.3000113.5R285 S286 Q287 I291 E295 L298R285-L289 HydrophobicContact CG-CD1 4.5Å; R285-L289 WeakPolarHBondContact O-CG 3.23Å; R285-L289 PolarHBondContact O-N 2.92Å; R285-L289 VanDerWaalsContact O-N 3.1Å; S286-L289 PolarHBondContact O-N 2.87Å; Q287-L289 VanDerWaalsContact C-N 3.3Å; Q287-L289 PolarHBondContact O-N 3.44Å; L289-I291 VanDerWaalsContact C-N 3.25Å; L289-I291 PolarHBondContact O-N 3.25Å; L289-E295 HydrophobicContact CD2-CB 4.19Å; L289-E295 HydrophobicContact CD2-CG 4.19Å; L289-L298 HydrophobicContact CD2-CD1 3.77Å; L289-L298 HydrophobicContact CG-CD1 4.08Å
290M97.4Very high97.2Very high161 Ų16162.8 Ų62.879%0.79332%0.32SS*.THydrogen-bonded Turntrans-75.4-13.6175-69.2176.8-179.700113.1S286 Q287 L288S286-M290 WeakPolarHBondContact O-CG 3.33Å; S286-M290 PolarHBondContact O-N 2.93Å; Q287-M290 PolarHBondContact O-N 3.15Å; L288-M290 VanDerWaalsContact C-N 3.28Å; L288-M290 PolarHBondContact O-N 3.12Å
291I98Very high97.3Very high35 Ų3559.5 Ų59.518%0.17931%0.305CS..SBendtrans-88.9122.4177.5-59.8172.6000109.4L288 L289 G293 N294 K402 L407L288-I291 PolarHBondContact O-N 2.78Å; L289-I291 VanDerWaalsContact C-N 3.25Å; L289-I291 PolarHBondContact O-N 3.25Å; I291-G293 PolarHBondContact O-N 3.27Å; I291-N294 WeakPolarHBondContact O-CB 3.18Å; I291-N294 PolarHBondContact O-N 3.4Å; I291-N294 VanDerWaalsContact O-N 3.16Å; I291-K402 HydrophobicContact CG2-CB 3.79Å; I291-K402 HydrophobicContact CG2-CD 4.32Å; I291-L407 HydrophobicContact CD1-CD1 3.51Å
292E96.2Very high97.2Very high171 Ų17160.1 Ų60.180%0.79931%0.31SS*.THydrogen-bonded Turntrans-56.5126.6-177.1-171.2-177.4179.500113.1K402E292-K402 PolarHBondContact O-NZ 3.27Å
293G93.6Very high97.2Very high42 Ų4259.7 Ų59.743%0.43331%0.308SS..THydrogen-bonded Turntrans95.6-17.8-179.300000114.8I291 E295I291-G293 PolarHBondContact O-N 3.27Å; G293-E295 VanDerWaalsContact C-N 3.33Å; G293-E295 PolarHBondContact O-N 3.43Å
294N97.7Very high97.2Very high1 Ų156.8 Ų56.81%0.00529%0.287CS..Hα-helixtrans-70.6-28.9-179.7-78.4-3.7000113.5L288 I291 E296 S297 L298 I401 K402L288-N294 WeakPolarHBondContact O-CB 3.3Å; L288-N294 PolarHBondContact O-ND2 3.35Å; I291-N294 WeakPolarHBondContact O-CB 3.18Å; I291-N294 PolarHBondContact O-N 3.4Å; I291-N294 VanDerWaalsContact O-N 3.16Å; N294-E296 VanDerWaalsContact C-N 3.29Å; N294-E296 PolarHBondContact O-N 3.16Å; N294-S297 PolarHBondContact O-N 3.1Å; N294-L298 HydrophobicContact CB-CD1 4.39Å; N294-L298 WeakPolarHBondContact O-CB 3.4Å; N294-L298 WeakPolarHBondContact O-CG 3.48Å; N294-L298 PolarHBondContact O-N 3.41Å; N294-I401 HydrophobicContact CB-CG2 4.49Å; N294-I401 WeakPolarHBondContact OD1-CA 3.5Å; N294-K402 PolarHBondContact ND2-O 2.97Å; N294-K402 PolarHBondContact OD1-N 3.25Å
295E96.9Very high97.2Very high135 Ų13556.4 Ų56.463%0.63129%0.285SS*.Hα-helixtrans-57.3-42.6-178.8-175.2178.9-174.900111.9L289 G293 L298 K299L289-E295 HydrophobicContact CD2-CB 4.19Å; L289-E295 HydrophobicContact CD2-CG 4.19Å; G293-E295 VanDerWaalsContact C-N 3.33Å; G293-E295 PolarHBondContact O-N 3.43Å; E295-L298 PolarHBondContact O-N 3.19Å; E295-K299 WeakPolarHBondContact O-CB 3.47Å; E295-K299 PolarHBondContact O-N 3.08Å
296E96.2Very high97.3Very high161 Ų16154 Ų5475%0.75228%0.277SS*.Hα-helixtrans-62.9-51.1-179.9-172.7-179.1174.200111.5N294 K299 K300N294-E296 VanDerWaalsContact C-N 3.29Å; N294-E296 PolarHBondContact O-N 3.16Å; E296-K299 PolarHBondContact O-N 2.93Å; E296-K300 WeakPolarHBondContact O-CB 3.32Å; E296-K300 PolarHBondContact O-N 2.95Å
297S96.9Very high97.4Very high16 Ų1651.4 Ų51.411%0.11226%0.258CS..Hα-helixtrans-61.3-45.5177.9-67.50000111.9N294 K299 K300 I301 E400N294-S297 PolarHBondContact O-N 3.1Å; S297-K299 VanDerWaalsContact C-N 3.35Å; S297-K299 PolarHBondContact O-N 3.44Å; S297-K300 PolarHBondContact O-N 2.74Å; S297-I301 WeakPolarHBondContact O-CG1 3.48Å; S297-I301 PolarHBondContact O-N 3.03Å; S297-E400 WeakPolarHBondContact CB-O 3.32Å; S297-E400 PolarHBondContact OG-O 3.34Å
298L97.5Very high97.4Very high7 Ų747.9 Ų47.94%0.03724%0.242CC..Hα-helixtrans-64.4-38.7178-73.3172.6000112L288 L289 N294 E295 I301 A302 W334 I401L288-L298 HydrophobicContact CB-CD1 3.98Å; L289-L298 HydrophobicContact CD2-CD1 3.77Å; L289-L298 HydrophobicContact CG-CD1 4.08Å; N294-L298 HydrophobicContact CB-CD1 4.39Å; N294-L298 WeakPolarHBondContact O-CB 3.4Å; N294-L298 WeakPolarHBondContact O-CG 3.48Å; N294-L298 PolarHBondContact O-N 3.41Å; E295-L298 PolarHBondContact O-N 3.19Å; L298-I301 PolarHBondContact O-N 3.19Å; L298-A302 VanDerWaalsContact O-CB 3.26Å; L298-A302 WeakPolarHBondContact O-CB 3.39Å; L298-A302 PolarHBondContact O-N 2.73Å; L298-W334 HydrophobicContact CD2-CH2 4.47Å; L298-I401 HydrophobicContact CD2-CD1 3.93Å; L298-I401 HydrophobicContact CG-CD1 4.46Å
299K97Very high97.4Very high144 Ų14447.9 Ų47.963%0.62624%0.242SC*.Hα-helixtrans-65.6-42.2174.5-175.5178.7178.8-179.70111.2E295 E296 S297 A302 G303E295-K299 WeakPolarHBondContact O-CB 3.47Å; E295-K299 PolarHBondContact O-N 3.08Å; E296-K299 PolarHBondContact O-N 2.93Å; S297-K299 VanDerWaalsContact C-N 3.35Å; S297-K299 PolarHBondContact O-N 3.44Å; K299-A302 PolarHBondContact O-N 2.91Å; K299-G303 PolarHBondContact O-N 3.29Å
300K97.4Very high97.5Very high52 Ų5245 Ų4523%0.22623%0.227CC..Hα-helixtrans-61.7-45.7175.8-165.377.5175.6165.20110.5H224 S235 D237 E296 S297 G303 G304 L399H224-K300 VanDerWaalsContact CE1-CD 3.43Å; H224-K300 WeakPolarHBondContact CE1-CD 2.98Å; H224-K300 VanDerWaalsContact CG-NZ 3.29Å; H224-K300 WeakPolarHBondContact ND1-CE 3.35Å; H224-K300 PolarHBondContact ND1-NZ 3.06Å; H224-K300 WeakPolarHBondContact NE2-CD 3.27Å; H224-K300 PolarHBondContact NE2-O 2.72Å; S235-K300 VanDerWaalsContact OG-CE 3.27Å; S235-K300 WeakPolarHBondContact OG-CE 3.17Å; D237-K300 IonicContact OD1-NZ 2.84Å; D237-K300 PolarHBondContact OD1-NZ 3.05Å; E296-K300 WeakPolarHBondContact O-CB 3.32Å; E296-K300 PolarHBondContact O-N 2.95Å; S297-K300 PolarHBondContact O-N 2.74Å; K300-G303 PolarHBondContact O-N 3.32Å; K300-G304 PolarHBondContact O-N 3.03Å; K300-G304 VanDerWaalsContact O-N 3.12Å; K300-L399 HydrophobicContact CB-CD1 4.2Å; K300-L399 HydrophobicContact CB-CD2 4.42Å; K300-L399 HydrophobicContact CG-CD1 4.02Å; K300-L399 HydrophobicContact CG-CD2 4.04Å
301I98Very high97.4Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-59.6-50175.6-67.6165.9000111.1I226 F233 S297 L298 G303 G304 W334 K337 L399 I401I226-I301 HydrophobicContact CD1-CG1 4.38Å; F233-I301 HydrophobicContact CD1-CD1 3.7Å; F233-I301 HydrophobicContact CD1-CG1 4Å; F233-I301 HydrophobicContact CE1-CD1 3.95Å; F233-I301 HydrophobicContact CE1-CG1 4.44Å; F233-I301 HydrophobicContact CE1-CG2 4.49Å; F233-I301 HydrophobicContact CG-CD1 4.09Å; S297-I301 WeakPolarHBondContact O-CG1 3.48Å; S297-I301 PolarHBondContact O-N 3.03Å; L298-I301 PolarHBondContact O-N 3.19Å; I301-G303 PolarHBondContact O-N 2.87Å; I301-G304 PolarHBondContact O-N 3.38Å; I301-W334 HydrophobicContact CG2-CD2 3.86Å; I301-W334 HydrophobicContact CG2-CE3 4.37Å; I301-W334 HydrophobicContact CG2-CG 4.26Å; I301-W334 HydrophobicContact CG2-CH2 4.43Å; I301-W334 HydrophobicContact CG2-CZ2 3.93Å; I301-K337 PolarHBondContact O-NZ 2.85Å; I301-L399 HydrophobicContact CG1-CD1 3.84Å; I301-I401 HydrophobicContact CD1-CD1 3.77Å
302A97.4Very high97.2Very high13 Ų1341.1 Ų41.111%0.10721%0.206CC..Hα-helixtrans-60.8-42.5179.800000112.9T206 I208 L298 K299 K337T206-A302 HydrophobicContact CG2-CB 3.63Å; I208-A302 HydrophobicContact CD1-CB 4.32Å; L298-A302 VanDerWaalsContact O-CB 3.26Å; L298-A302 WeakPolarHBondContact O-CB 3.39Å; L298-A302 PolarHBondContact O-N 2.73Å; K299-A302 PolarHBondContact O-N 2.91Å; A302-K337 PolarHBondContact O-NZ 3.45Å
303G97.1Very high97Very high4 Ų435.9 Ų35.94%0.04118%0.184CC..Hα-helixtrans-79.6-17.5-176.100000115.6N204 S222 K299 K300 I301N204-G303 PolarHBondContact ND2-O 3.26Å; S222-G303 WeakPolarHBondContact CB-O 3.17Å; S222-G303 PolarHBondContact OG-O 3.34Å; K299-G303 PolarHBondContact O-N 3.29Å; K300-G303 PolarHBondContact O-N 3.32Å; I301-G303 PolarHBondContact O-N 2.87Å
304G98.1Very high96.8Very high0 Ų038.8 Ų38.80%019%0.189CC..SBendtrans-53.8153.9-176.700000114.2N204 H224 K300 I301 F306 K337N204-G304 VanDerWaalsContact CA-O 3.3Å; N204-G304 WeakPolarHBondContact CA-O 3.34Å; H224-G304 WeakPolarHBondContact NE2-CA 3.23Å; H224-G304 PolarHBondContact NE2-N 2.86Å; H224-G304 CarbonylContact O-C 3.48Å; H224-G304 VanDerWaalsContact O-CA 3.23Å; H224-G304 WeakPolarHBondContact O-CA 3.31Å; K300-G304 PolarHBondContact O-N 3.03Å; K300-G304 VanDerWaalsContact O-N 3.12Å; I301-G304 PolarHBondContact O-N 3.38Å; G304-F306 VanDerWaalsContact C-N 3.34Å; G304-F306 PolarHBondContact O-N 3.04Å; G304-K337 WeakPolarHBondContact O-CE 3.34Å; G304-K337 PolarHBondContact O-NZ 3.09Å
305L98.5Very high95.8Very high0 Ų039.6 Ų39.60%020%0.196CC..SBendtrans-55.1-51-177.3-63166.7000111.3K150 F203 N204 H224 L238 F239K150-L305 HydrophobicContact CD-CD2 3.54Å; F203-L305 CarbonylContact C-O 3.3Å; F203-L305 VanDerWaalsContact CA-O 3.23Å; F203-L305 WeakPolarHBondContact CA-O 3.29Å; N204-L305 PolarHBondContact N-O 3.38Å; N204-L305 WeakPolarHBondContact ND2-CD2 3.45Å; H224-L305 WeakPolarHBondContact O-CG 3.21Å; H224-L305 PolarHBondContact O-N 2.95Å; L238-L305 HydrophobicContact CB-CD1 4.3Å; L238-L305 HydrophobicContact CD1-CD1 4.04Å; L238-L305 HydrophobicContact CG-CD1 4.46Å; F239-L305 HydrophobicContact CD2-CD1 4.16Å; F239-L305 HydrophobicContact CE2-CD1 3.63Å; F239-L305 HydrophobicContact CE2-CD2 4.05Å
306F98.6Very high94.9Very high1 Ų139 Ų390%0.00420%0.201CC..  trans-161.5-174.3171.950.6-91.7000106.7L143 A146 F203 V225 I226 G304 M339 I341L143-F306 HydrophobicContact CD2-CE2 3.44Å; L143-F306 VanDerWaalsContact CD2-CE2 3.44Å; L143-F306 HydrophobicContact CD2-CZ 3.45Å; L143-F306 VanDerWaalsContact CD2-CZ 3.45Å; A146-F306 HydrophobicContact CB-CE1 3.88Å; A146-F306 HydrophobicContact CB-CZ 3.82Å; F203-F306 AromaticContact CD1-CD1 3.94Å; F203-F306 HydrophobicContact CD1-CD1 3.94Å; F203-F306 HydrophobicContact CD1-CE1 4.4Å; F203-F306 HydrophobicContact CE1-CD1 4.01Å; F203-F306 HydrophobicContact CE1-CE1 4.18Å; V225-F306 HydrophobicContact CG2-CD2 3.77Å; V225-F306 HydrophobicContact CG2-CE2 3.56Å; V225-F306 HydrophobicContact CG2-CG 4.4Å; V225-F306 HydrophobicContact CG2-CZ 4.04Å; V225-F306 WeakPolarHBondContact CG2-O 3.42Å; I226-F306 PolarHBondContact N-O 3.32Å; I226-F306 VanDerWaalsContact N-O 3.13Å; G304-F306 VanDerWaalsContact C-N 3.34Å; G304-F306 PolarHBondContact O-N 3.04Å; F306-M339 HydrophobicContact CB-CE 3.91Å; F306-M339 HydrophobicContact CB-CG 3.83Å; F306-M339 WeakPolarHBondContact CB-O 3.4Å; F306-M339 HydrophobicContact CD1-CE 3.77Å; F306-M339 HydrophobicContact CG-CE 4Å; F306-I341 HydrophobicContact CD2-CD1 4Å; F306-I341 HydrophobicContact CD2-CG1 4.09Å; F306-I341 HydrophobicContact CE2-CD1 3.57Å; F306-I341 HydrophobicContact CE2-CG1 4.12Å; F306-I341 HydrophobicContact CZ-CD1 4.04Å
307V98.8Very high94.7Very high0 Ų034.3 Ų34.30%018%0.182CC..EExtended strand (participates in β ladder)trans-108.6134.5173.5172.50000109.4I226 M228 N309 W334 K337 M339 Q340 I341I226-V307 HydrophobicContact CB-CG2 3.98Å; I226-V307 HydrophobicContact CG2-CG2 4.18Å; I226-V307 CarbonylContact O-C 3.45Å; I226-V307 VanDerWaalsContact O-CA 3.32Å; I226-V307 WeakPolarHBondContact O-CA 3.38Å; M228-V307 HydrophobicContact CG-CG1 3.96Å; M228-V307 HydrophobicContact SD-CG1 3.88Å; V307-N309 WeakPolarHBondContact CG1-ND2 3.31Å; V307-W334 HydrophobicContact CG2-CB 4.13Å; V307-K337 HydrophobicContact CB-CG 4.39Å; V307-K337 HydrophobicContact CG2-CB 3.96Å; V307-K337 HydrophobicContact CG2-CD 3.93Å; V307-K337 HydrophobicContact CG2-CG 3.74Å; V307-M339 PolarHBondContact N-O 3.08Å; V307-Q340 HydrophobicContact CB-CB 3.79Å; V307-Q340 HydrophobicContact CG1-CB 4.17Å; V307-Q340 CarbonylContact O-C 3.46Å; V307-Q340 WeakPolarHBondContact O-CA 3.41Å; V307-I341 PolarHBondContact O-N 3.46Å
308L98.9Very high94.5Very high0 Ų034.7 Ų34.70%019%0.186CC..EExtended strand (participates in β ladder)trans-105.4122168.2173.568.3000108.3A139 L143 V225 I226 V227 M228 L255 L310 I341 V343A139-L308 HydrophobicContact CB-CD1 4.39Å; A139-L308 HydrophobicContact CB-CD2 4.25Å; L143-L308 HydrophobicContact CD1-CD2 3.91Å; L143-L308 HydrophobicContact CD2-CB 4.39Å; L143-L308 HydrophobicContact CD2-CD2 4.08Å; L143-L308 HydrophobicContact CG-CD2 4.07Å; V225-L308 HydrophobicContact CG2-CB 4.23Å; I226-L308 PolarHBondContact O-N 3.25Å; V227-L308 CarbonylContact C-O 3.18Å; V227-L308 WeakPolarHBondContact CA-O 3.19Å; V227-L308 HydrophobicContact CG1-CD2 4.4Å; V227-L308 HydrophobicContact CG2-CB 4.37Å; V227-L308 HydrophobicContact CG2-CD2 4.23Å; M228-L308 PolarHBondContact N-O 2.95Å; L255-L308 HydrophobicContact CD1-CD2 4.22Å; L255-L308 HydrophobicContact CD2-CD2 3.65Å; L308-L310 HydrophobicContact CD1-CD2 4.36Å; L308-L310 HydrophobicContact CD2-CD2 4.07Å; L308-L310 HydrophobicContact CD2-CG 4.49Å; L308-L310 HydrophobicContact CG-CD2 4.1Å; L308-L310 HydrophobicContact CG-CG 4.42Å; L308-I341 CarbonylContact C-O 3.6Å; L308-I341 VanDerWaalsContact CA-O 3.31Å; L308-I341 WeakPolarHBondContact CA-O 3.27Å; L308-I341 HydrophobicContact CD1-CB 4.24Å; L308-I341 HydrophobicContact CD1-CG2 4.12Å; L308-V343 HydrophobicContact CD1-CG2 3.81Å
309N98.7Very high94.3Very high0 Ų036 Ų360%019%0.194CC..EExtended strand (participates in β ladder)trans-105.2121176.6-48.294.3000109.1V307 N332 Q340 I341 I342 V343V307-N309 WeakPolarHBondContact CG1-ND2 3.31Å; N309-N332 PolarHBondContact ND2-O 3.01Å; N309-Q340 WeakPolarHBondContact OD1-CB 3.46Å; N309-Q340 PolarHBondContact OD1-OE1 3.07Å; N309-I341 PolarHBondContact N-O 2.98Å; N309-I341 PolarHBondContact OD1-O 3.04Å; N309-I342 HydrophobicContact CB-CB 4.3Å; N309-I342 HydrophobicContact CB-CG1 3.88Å; N309-I342 HydrophobicContact CB-CG2 4.36Å; N309-I342 WeakPolarHBondContact OD1-CG1 3.46Å; N309-V343 PolarHBondContact O-N 3.49Å
310L98Very high94.1Very high2 Ų233.1 Ų33.11%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-10099.1175.6-59.3175.9000108.3Q135 A139 V227 M228 R229 L255 I258 L259 L308 N332Q135-L310 HydrophobicContact CG-CD2 4.25Å; A139-L310 HydrophobicContact CB-CD2 3.93Å; V227-L310 HydrophobicContact CG1-CD1 3.71Å; V227-L310 HydrophobicContact CG1-CG 4.08Å; M228-L310 PolarHBondContact O-N 3.1Å; R229-L310 HydrophobicContact CB-CB 4.38Å; R229-L310 HydrophobicContact CG-CB 4.46Å; L255-L310 HydrophobicContact CD2-CD1 4.43Å; I258-L310 HydrophobicContact CG2-CD1 4.43Å; L259-L310 HydrophobicContact CD2-CB 4.27Å; L259-L310 HydrophobicContact CD2-CD1 3.87Å; L259-L310 HydrophobicContact CG-CD1 4.05Å; L308-L310 HydrophobicContact CD1-CD2 4.36Å; L308-L310 HydrophobicContact CD2-CD2 4.07Å; L308-L310 HydrophobicContact CD2-CG 4.49Å; L308-L310 HydrophobicContact CG-CD2 4.1Å; L308-L310 HydrophobicContact CG-CG 4.42Å; L310-N332 PolarHBondContact O-ND2 3.1Å
311D96.5Very high94Very high21 Ų2131 Ų3111%0.11217%0.174CC..  trans-97.6146-179-76.6-0.5000111Q135 L313 N332 R333 V343 F344 G345Q135-D311 PolarHBondContact NE2-O 3.24Å; D311-L313 VanDerWaalsContact C-N 3.31Å; D311-N332 PolarHBondContact OD1-ND2 3.01Å; D311-R333 VanDerWaalsContact CG-NH1 3.31Å; D311-R333 IonicContact OD1-CZ 3.75Å; D311-R333 IonicContact OD1-NH1 2.68Å; D311-R333 PolarHBondContact OD1-NH1 2.86Å; D311-R333 IonicContact OD2-CZ 3.3Å; D311-R333 VanDerWaalsContact OD2-CZ 3.22Å; D311-R333 IonicContact OD2-NH1 3.39Å; D311-R333 PolarHBondContact OD2-NH1 3.08Å; D311-R333 IonicContact OD2-NH2 3.91Å; D311-R333 PolarHBondContact OD2-NH2 3.06Å; D311-V343 PolarHBondContact N-O 3.4Å; D311-F344 HydrophobicContact CB-CD1 3.99Å; D311-F344 HydrophobicContact CB-CE1 4.49Å; D311-F344 CarbonylContact O-C 3.51Å; D311-G345 PolarHBondContact O-N 3.22Å
312E92.9Very high94Very high93 Ų9331 Ų3144%0.43517%0.174SC..  trans-92.95.6-178.5-61.5179.4170.300112.9R229 R230R229-E312 IonicContact CZ-OE1 3.87Å; R229-E312 IonicContact NE-OE1 2.7Å; R229-E312 IonicContact NH2-OE1 3.87Å; R229-E312 PolarHBondContact NH2-OE1 2.99Å; R230-E312 IonicContact CZ-OE1 2.75Å; R230-E312 IonicContact CZ-OE2 2.95Å; R230-E312 VanDerWaalsContact NE-CD 3.31Å; R230-E312 IonicContact NE-OE1 3.99Å; R230-E312 PolarHBondContact NE-OE1 2.89Å; R230-E312 IonicContact NE-OE2 2.99Å; R230-E312 PolarHBondContact NE-OE2 3.35Å; R230-E312 IonicContact NH2-OE1 2.94Å; R230-E312 PolarHBondContact NH2-OE1 2.88Å; R230-E312 IonicContact NH2-OE2 3Å; R230-E312 PolarHBondContact NH2-OE2 2.99Å
313L92.1Very high93.9Very high62 Ų6233.2 Ų33.233%0.32518%0.182SC..  trans-66.4137.4178.3-177.263.3000110.1D311 A315 A324 F344 G345D311-L313 VanDerWaalsContact C-N 3.31Å; L313-A315 HydrophobicContact CD2-CB 4.06Å; L313-A315 HydrophobicContact CG-CB 4.1Å; L313-A324 HydrophobicContact CD2-CB 3.66Å; L313-F344 HydrophobicContact CB-CD1 4.48Å; L313-F344 HydrophobicContact CB-CG 4.41Å; L313-F344 HydrophobicContact CD2-CD2 4.23Å; L313-F344 HydrophobicContact CD2-CE1 4.27Å; L313-F344 HydrophobicContact CD2-CE2 3.75Å; L313-F344 HydrophobicContact CD2-CZ 3.8Å; L313-F344 HydrophobicContact CG-CD2 4.4Å; L313-F344 HydrophobicContact CG-CE2 4.4Å; L313-F344 VanDerWaalsContact O-CB 3.29Å; L313-F344 WeakPolarHBondContact O-CB 3.3Å; L313-G345 PolarHBondContact O-N 3.45Å
314N90.2Very high93.9Very high103 Ų10333.6 Ų33.655%0.55118%0.184SC*.  trans-117.199.7164.3-61-42.7000106G345 D346N314-G345 VanDerWaalsContact OD1-C 3.23Å; N314-G345 WeakPolarHBondContact OD1-CA 3.27Å; N314-D346 WeakPolarHBondContact CA-OD2 3.49Å; N314-D346 HydrophobicContact CB-CB 4.4Å; N314-D346 PolarHBondContact OD1-N 2.92Å
315A77.3Confident93.9Very high18 Ų1833.6 Ų33.615%0.14918%0.184CC..  trans-90.2136.1-166.300000111L313 E320 V321 F344 D346L313-A315 HydrophobicContact CD2-CB 4.06Å; L313-A315 HydrophobicContact CG-CB 4.1Å; A315-E320 HydrophobicContact CB-CB 4.35Å; A315-V321 HydrophobicContact CB-CG2 3.52Å; A315-F344 HydrophobicContact CB-CD2 3.99Å; A315-F344 HydrophobicContact CB-CE2 3.79Å; A315-D346 PolarHBondContact N-OD2 3.25Å
316T77.7Confident93.9Very high121 Ų12133.6 Ų33.674%0.74218%0.184SC*.  trans-99.7-19.2-174.360.30000113.6E320T316-E320 PolarHBondContact N-OE2 2.99Å; T316-E320 PolarHBondContact OG1-OE2 3.35Å
317N91.2Very high93.8Very high64 Ų6434 Ų3434%0.34219%0.186SC..SBendtrans-144.6158.5-173.267.673000112.9T319 E320 V321N317-T319 PolarHBondContact O-N 3.37Å; N317-T319 VanDerWaalsContact O-N 3.15Å; N317-T319 WeakPolarHBondContact OD1-CA 3.49Å; N317-T319 WeakPolarHBondContact OD1-CB 3.43Å; N317-T319 PolarHBondContact OD1-N 2.9Å; N317-E320 PolarHBondContact ND2-OE1 3.01Å; N317-E320 PolarHBondContact O-N 3.44Å; N317-E320 PolarHBondContact OD1-N 3.41Å; N317-V321 VanDerWaalsContact O-CG2 3.31Å; N317-V321 WeakPolarHBondContact O-CG2 3.23Å; N317-V321 PolarHBondContact O-N 3.46Å; N317-V321 VanDerWaalsContact O-N 3.14Å
318A92.6Very high93.7Very high23 Ų2334.9 Ų34.919%0.1920%0.195CC..Hα-helixtrans-61.9-23.5-176.800000114.2G322 L583A318-G322 PolarHBondContact O-N 3.23Å; A318-L583 HydrophobicContact CB-CD2 3.92Å
319T93.1Very high93.6Very high35 Ų3539 Ų3922%0.21522%0.217CC..Hα-helixtrans-73.9-48.6179.1-63.40000111.2N317 V321 G322 K323 L427N317-T319 PolarHBondContact O-N 3.37Å; N317-T319 VanDerWaalsContact O-N 3.15Å; N317-T319 WeakPolarHBondContact OD1-CA 3.49Å; N317-T319 WeakPolarHBondContact OD1-CB 3.43Å; N317-T319 PolarHBondContact OD1-N 2.9Å; T319-V321 VanDerWaalsContact C-N 3.35Å; T319-G322 PolarHBondContact O-N 3.29Å; T319-K323 WeakPolarHBondContact O-CG 3.47Å; T319-K323 PolarHBondContact O-N 3.07Å; T319-L427 HydrophobicContact CG2-CD2 4.3Å; T319-L427 WeakPolarHBondContact CG2-O 3.46Å; T319-L427 PolarHBondContact OG1-O 3.15Å
320E93.7Very high93.5Very high83 Ų8339 Ų3939%0.38822%0.217SC..Hα-helixtrans-59.6-46.7174.3-75.2172.7-171.400111.2A315 T316 N317 G322 K323 A324A315-E320 HydrophobicContact CB-CB 4.35Å; T316-E320 PolarHBondContact N-OE2 2.99Å; T316-E320 PolarHBondContact OG1-OE2 3.35Å; N317-E320 PolarHBondContact ND2-OE1 3.01Å; N317-E320 PolarHBondContact O-N 3.44Å; N317-E320 PolarHBondContact OD1-N 3.41Å; E320-G322 PolarHBondContact O-N 3.34Å; E320-K323 PolarHBondContact O-N 3.37Å; E320-A324 VanDerWaalsContact O-CB 3.29Å; E320-A324 WeakPolarHBondContact O-CB 2.97Å; E320-A324 PolarHBondContact O-N 2.84Å
321V95.7Very high93.4Very high8 Ų839.8 Ų39.85%0.04822%0.222CC..Hα-helixtrans-55.5-53.6174.6173.70000110V123 A315 N317 T319 K323 A324 F325 F344 L348 L583V123-V321 HydrophobicContact CG1-CG1 4.27Å; V123-V321 HydrophobicContact CG2-CG1 4Å; A315-V321 HydrophobicContact CB-CG2 3.52Å; N317-V321 VanDerWaalsContact O-CG2 3.31Å; N317-V321 WeakPolarHBondContact O-CG2 3.23Å; N317-V321 PolarHBondContact O-N 3.46Å; N317-V321 VanDerWaalsContact O-N 3.14Å; T319-V321 VanDerWaalsContact C-N 3.35Å; V321-K323 PolarHBondContact O-N 3.43Å; V321-A324 PolarHBondContact O-N 2.85Å; V321-F325 HydrophobicContact CG1-CD2 3.7Å; V321-F325 HydrophobicContact CG1-CE2 3.89Å; V321-F325 VanDerWaalsContact O-CD2 3.3Å; V321-F325 WeakPolarHBondContact O-CD2 3.34Å; V321-F325 PolarHBondContact O-N 3.48Å; V321-F344 HydrophobicContact CG2-CE2 4.3Å; V321-L348 HydrophobicContact CB-CD2 4.34Å; V321-L348 HydrophobicContact CG1-CD2 3.77Å; V321-L348 HydrophobicContact CG2-CD2 3.54Å; V321-L583 HydrophobicContact CG1-CD1 4.26Å; V321-L583 HydrophobicContact CG1-CD2 4.33Å
322G96.4Very high93.5Very high0 Ų039.1 Ų39.10%022%0.218CC..Hα-helixtrans-58.5-45-177.500000113.2F121 A318 T319 E320 L326F121-G322 VanDerWaalsContact CZ-CA 3.49Å; A318-G322 PolarHBondContact O-N 3.23Å; T319-G322 PolarHBondContact O-N 3.29Å; E320-G322 PolarHBondContact O-N 3.34Å; G322-L326 WeakPolarHBondContact O-CB 3.1Å; G322-L326 PolarHBondContact O-N 2.99Å
323K96.6Very high93.7Very high60 Ų6034.8 Ų34.826%0.26120%0.198SC..Hα-helixtrans-65.4-43.6178.2-73-172.1176.6-172.90112T319 E320 V321 F325 L326 H327 G328 L425 D426 L427T319-K323 WeakPolarHBondContact O-CG 3.47Å; T319-K323 PolarHBondContact O-N 3.07Å; E320-K323 PolarHBondContact O-N 3.37Å; V321-K323 PolarHBondContact O-N 3.43Å; K323-F325 PolarHBondContact O-N 3.49Å; K323-L326 PolarHBondContact O-N 2.77Å; K323-H327 PolarHBondContact O-N 3.49Å; K323-H327 PolarHBondContact O-ND1 3.01Å; K323-G328 PolarHBondContact O-N 2.87Å; K323-L425 PolarHBondContact NZ-O 3.17Å; K323-D426 IonicContact NZ-OD1 3.95Å; K323-L427 HydrophobicContact CG-CB 3.94Å; K323-L427 HydrophobicContact CG-CD1 4.34Å
324A96.9Very high94.1Very high12 Ų1232.4 Ų32.410%0.09919%0.185CC..Hα-helixtrans-64.9-38.9-179.900000113L313 E320 V321 G328 R333 F344L313-A324 HydrophobicContact CD2-CB 3.66Å; E320-A324 VanDerWaalsContact O-CB 3.29Å; E320-A324 WeakPolarHBondContact O-CB 2.97Å; E320-A324 PolarHBondContact O-N 2.84Å; V321-A324 PolarHBondContact O-N 2.85Å; A324-G328 PolarHBondContact O-N 3Å; A324-R333 PolarHBondContact O-NH2 2.9Å; A324-F344 HydrophobicContact CB-CE1 4.04Å; A324-F344 HydrophobicContact CB-CE2 4.44Å; A324-F344 HydrophobicContact CB-CZ 3.5Å; A324-F344 VanDerWaalsContact CB-CZ 3.5Å
325F97.8Very high94.5Very high0 Ų027.5 Ų27.50%016%0.158CC..Hα-helixtrans-78.8-32.6175.4-80.2-79.8000113.7F121 V123 V321 K323 I342 F344 L348 N352F121-F325 HydrophobicContact CB-CB 3.93Å; F121-F325 HydrophobicContact CD2-CB 3.3Å; F121-F325 HydrophobicContact CD2-CG 4.22Å; F121-F325 HydrophobicContact CE2-CB 3.94Å; F121-F325 HydrophobicContact CG-CB 3.72Å; V123-F325 HydrophobicContact CG1-CE2 4.12Å; V123-F325 HydrophobicContact CG1-CZ 4.43Å; V123-F325 HydrophobicContact CG2-CB 4.29Å; V123-F325 HydrophobicContact CG2-CD1 4.29Å; V123-F325 HydrophobicContact CG2-CD2 3.53Å; V123-F325 HydrophobicContact CG2-CE2 3.88Å; V123-F325 HydrophobicContact CG2-CG 3.78Å; V123-F325 HydrophobicContact CG2-CZ 4.41Å; V321-F325 HydrophobicContact CG1-CD2 3.7Å; V321-F325 HydrophobicContact CG1-CE2 3.89Å; V321-F325 VanDerWaalsContact O-CD2 3.3Å; V321-F325 WeakPolarHBondContact O-CD2 3.34Å; V321-F325 PolarHBondContact O-N 3.48Å; K323-F325 PolarHBondContact O-N 3.49Å; F325-I342 HydrophobicContact CD1-CB 3.93Å; F325-I342 HydrophobicContact CD1-CD1 3.81Å; F325-I342 HydrophobicContact CD1-CG1 4.47Å; F325-I342 HydrophobicContact CD1-CG2 4.34Å; F325-I342 HydrophobicContact CE1-CB 3.56Å; F325-I342 HydrophobicContact CE1-CD1 4.34Å; F325-I342 HydrophobicContact CE1-CG2 3.93Å; F325-I342 WeakPolarHBondContact CE1-O 3.46Å; F325-I342 HydrophobicContact CZ-CB 4.41Å; F325-I342 HydrophobicContact CZ-CG2 4.38Å; F325-F344 HydrophobicContact CD2-CE1 4.21Å; F325-F344 HydrophobicContact CD2-CE2 4.22Å; F325-F344 AromaticContact CD2-CZ 3.58Å; F325-F344 HydrophobicContact CD2-CZ 3.58Å; F325-F344 HydrophobicContact CE2-CD1 4.41Å; F325-F344 HydrophobicContact CE2-CD2 4.33Å; F325-F344 AromaticContact CE2-CE1 3.73Å; F325-F344 HydrophobicContact CE2-CE1 3.73Å; F325-F344 AromaticContact CE2-CE2 3.62Å; F325-F344 HydrophobicContact CE2-CE2 3.62Å; F325-F344 AromaticContact CE2-CZ 3.24Å; F325-F344 HydrophobicContact CE2-CZ 3.24Å; F325-F344 HydrophobicContact CG-CZ 4.49Å; F325-F344 HydrophobicContact CZ-CD1 4.35Å; F325-F344 AromaticContact CZ-CE1 3.93Å; F325-F344 HydrophobicContact CZ-CE1 3.93Å; F325-F344 HydrophobicContact CZ-CE2 4.41Å; F325-F344 AromaticContact CZ-CZ 3.93Å; F325-F344 HydrophobicContact CZ-CZ 3.93Å; F325-L348 HydrophobicContact CE2-CD2 4.35Å; F325-L348 HydrophobicContact CE2-CG 4.42Å; F325-N352 PolarHBondContact O-ND2 2.74Å
326L98.1Very high95.5Very high0 Ų026.8 Ų26.80%015%0.152CC..Hα-helixtrans-71.3-48.2178.8-179.258.8000112.3I116 N119 F121 G322 K323 N352 L425 L427 T610I116-L326 HydrophobicContact CG1-CG 4.43Å; N119-L326 WeakPolarHBondContact O-CD1 3.38Å; F121-L326 HydrophobicContact CD1-CB 3.6Å; F121-L326 HydrophobicContact CD1-CD1 3.86Å; F121-L326 HydrophobicContact CD1-CG 4.27Å; F121-L326 HydrophobicContact CE1-CB 3.78Å; F121-L326 HydrophobicContact CE1-CD1 4.35Å; F121-L326 HydrophobicContact CE1-CG 4.46Å; F121-L326 HydrophobicContact CG-CB 4.46Å; G322-L326 WeakPolarHBondContact O-CB 3.1Å; G322-L326 PolarHBondContact O-N 2.99Å; K323-L326 PolarHBondContact O-N 2.77Å; L326-N352 PolarHBondContact O-ND2 3.1Å; L326-N352 VanDerWaalsContact O-ND2 3.13Å; L326-L425 HydrophobicContact CD2-CD2 3.77Å; L326-L427 HydrophobicContact CD2-CD1 4.27Å; L326-T610 HydrophobicContact CD2-CG2 4.29Å
327H97.5Very high96.5Very high10 Ų1021 Ų215%0.04612%0.117CC..THydrogen-bonded Turntrans-142.1-24.7-168.962.671.1000114.7I116 K323 F335 Y418 C422I116-H327 HydrophobicContact CD1-CB 4.09Å; I116-H327 HydrophobicContact CG1-CB 3.84Å; K323-H327 PolarHBondContact O-N 3.49Å; K323-H327 PolarHBondContact O-ND1 3.01Å; H327-F335 WeakPolarHBondContact O-CZ 3.31Å; H327-Y418 WeakPolarHBondContact CA-OH 3.28Å; H327-Y418 VanDerWaalsContact CB-OH 3.31Å; H327-Y418 WeakPolarHBondContact CB-OH 3.38Å; H327-Y418 PolarHBondContact O-OH 2.9Å; H327-C422 PolarHBondContact ND1-SG 2.91Å; H327-C422 VanDerWaalsContact ND1-SG 3.37Å
328G96.5Very high96.8Very high17 Ų1718 Ų1818%0.17510%0.101CC..THydrogen-bonded Turntrans52.3-148.7-175.400000112.4K323 A324K323-G328 PolarHBondContact O-N 2.87Å; A324-G328 PolarHBondContact O-N 3Å
329D95.8Very high97.1Very high87 Ų8717 Ų1747%0.4659%0.092SC..THydrogen-bonded Turntrans-1013.4171.771-8.4000112.9T331D329-T331 VanDerWaalsContact CG-OG1 3.23Å; D329-T331 PolarHBondContact O-N 2.85Å; D329-T331 WeakPolarHBondContact OD1-CB 3.26Å; D329-T331 PolarHBondContact OD1-N 2.73Å; D329-T331 PolarHBondContact OD1-OG1 2.85Å; D329-T331 WeakPolarHBondContact OD2-CG2 3.45Å; D329-T331 PolarHBondContact OD2-OG1 2.95Å
330G96.5Very high97.3Very high0 Ų015.3 Ų15.30%08%0.082CC..SBendtrans76.9-7.7-178.700000115G271 L272G271-G330 CarbonylContact C-O 3.59Å; L272-G330 PolarHBondContact N-O 2.65Å
331T97.1Very high97.6Very high19 Ų1911.4 Ų11.412%0.1176%0.063CC..THydrogen-bonded Turntrans-82.5-33-175.172.70000112.6G231 P269 D329G231-T331 VanDerWaalsContact CA-O 3.25Å; G231-T331 WeakPolarHBondContact CA-O 3.41Å; P269-T331 HydrophobicContact CB-CG2 4.26Å; P269-T331 HydrophobicContact CG-CG2 3.79Å; D329-T331 VanDerWaalsContact CG-OG1 3.23Å; D329-T331 PolarHBondContact O-N 2.85Å; D329-T331 WeakPolarHBondContact OD1-CB 3.26Å; D329-T331 PolarHBondContact OD1-N 2.73Å; D329-T331 PolarHBondContact OD1-OG1 2.85Å; D329-T331 WeakPolarHBondContact OD2-CG2 3.45Å; D329-T331 PolarHBondContact OD2-OG1 2.95Å
332N97.9Very high97.7Very high7 Ų711 Ų114%0.0376%0.061CC..THydrogen-bonded Turntrans-113.640.4-176.4-154.647.2000112.4M228 R229 R230 G231 N309 L310 D311M228-N332 WeakPolarHBondContact CB-OD1 3.42Å; M228-N332 PolarHBondContact O-ND2 3.13Å; M228-N332 PolarHBondContact O-OD1 2.95Å; R229-N332 VanDerWaalsContact C-OD1 3.29Å; R229-N332 VanDerWaalsContact CA-OD1 3.24Å; R229-N332 WeakPolarHBondContact CA-OD1 3.42Å; R229-N332 PolarHBondContact N-OD1 2.87Å; R229-N332 VanDerWaalsContact N-OD1 3.12Å; R230-N332 PolarHBondContact N-OD1 3.38Å; R230-N332 VanDerWaalsContact N-OD1 3.15Å; G231-N332 PolarHBondContact N-OD1 3.5Å; N309-N332 PolarHBondContact ND2-O 3.01Å; L310-N332 PolarHBondContact O-ND2 3.1Å; D311-N332 PolarHBondContact OD1-ND2 3.01Å
333R98.3Very high97.8Very high2 Ų211 Ų111%0.0086%0.061CC..  trans-139.5155.2-178.2-61.2-66-177.8-87.7-2.1111.6M228 G271 D311 A324 F335 Q340 I342M228-R333 WeakPolarHBondContact CE-O 3.38Å; M228-R333 VanDerWaalsContact SD-C 3.59Å; G271-R333 WeakPolarHBondContact CA-O 3.39Å; D311-R333 VanDerWaalsContact CG-NH1 3.31Å; D311-R333 IonicContact OD1-CZ 3.75Å; D311-R333 IonicContact OD1-NH1 2.68Å; D311-R333 PolarHBondContact OD1-NH1 2.86Å; D311-R333 IonicContact OD2-CZ 3.3Å; D311-R333 VanDerWaalsContact OD2-CZ 3.22Å; D311-R333 IonicContact OD2-NH1 3.39Å; D311-R333 PolarHBondContact OD2-NH1 3.08Å; D311-R333 IonicContact OD2-NH2 3.91Å; D311-R333 PolarHBondContact OD2-NH2 3.06Å; A324-R333 PolarHBondContact O-NH2 2.9Å; R333-F335 HydrophobicContact CB-CD2 4.14Å; R333-F335 HydrophobicContact CB-CE1 4.15Å; R333-F335 HydrophobicContact CB-CE2 3.6Å; R333-F335 HydrophobicContact CB-CZ 3.61Å; R333-F335 HydrophobicContact CG-CE1 4.27Å; R333-F335 HydrophobicContact CG-CE2 4.15Å; R333-F335 HydrophobicContact CG-CZ 3.71Å; R333-Q340 VanDerWaalsContact CD-OE1 3.22Å; R333-I342 VanDerWaalsContact NE-CD1 3.3Å
334W98.6Very high97.8Very high12 Ų128.1 Ų8.15%0.0455%0.049CC..  trans-131.686.8168.2-169.7-94.5000109.7M228 F233 I270 T274 W281 L298 I301 V307 D336 K337 Q340M228-W334 HydrophobicContact SD-CB 3.94Å; F233-W334 HydrophobicContact CE1-CD2 4.5Å; F233-W334 AromaticContact CE1-CE3 3.84Å; F233-W334 HydrophobicContact CE1-CE3 3.84Å; F233-W334 HydrophobicContact CE1-CZ3 4.37Å; F233-W334 AromaticContact CZ-CE3 3.78Å; F233-W334 HydrophobicContact CZ-CE3 3.78Å; F233-W334 HydrophobicContact CZ-CZ3 4.07Å; I270-W334 HydrophobicContact CG2-CZ3 4.39Å; T274-W334 HydrophobicContact CG2-CD2 3.69Å; T274-W334 HydrophobicContact CG2-CE3 3.65Å; T274-W334 HydrophobicContact CG2-CG 4.32Å; T274-W334 HydrophobicContact CG2-CH2 3.98Å; T274-W334 HydrophobicContact CG2-CZ2 4.01Å; T274-W334 HydrophobicContact CG2-CZ3 3.8Å; W281-W334 HydrophobicContact CH2-CH2 4.15Å; W281-W334 AromaticContact CZ2-CH2 3.87Å; W281-W334 HydrophobicContact CZ2-CH2 3.87Å; W281-W334 HydrophobicContact CZ2-CZ2 4.15Å; L298-W334 HydrophobicContact CD2-CH2 4.47Å; I301-W334 HydrophobicContact CG2-CD2 3.86Å; I301-W334 HydrophobicContact CG2-CE3 4.37Å; I301-W334 HydrophobicContact CG2-CG 4.26Å; I301-W334 HydrophobicContact CG2-CH2 4.43Å; I301-W334 HydrophobicContact CG2-CZ2 3.93Å; V307-W334 HydrophobicContact CG2-CB 4.13Å; W334-D336 PolarHBondContact O-N 2.88Å; W334-D336 VanDerWaalsContact O-N 3.11Å; W334-K337 WeakPolarHBondContact O-CB 3.48Å; W334-K337 PolarHBondContact O-N 3Å; W334-Q340 VanDerWaalsContact N-OE1 3.12Å
335F98.6Very high97.6Very high0 Ų08.8 Ų8.80%06%0.057CC..THydrogen-bonded Turntrans-66.9-15.5-168.6-68.3-70.6000114.7L114 P115 N119 T274 T275 H327 R333 K337 Y418L114-F335 HydrophobicContact CB-CB 4.35Å; P115-F335 HydrophobicContact CB-CD1 3.91Å; P115-F335 HydrophobicContact CB-CD2 4.15Å; P115-F335 HydrophobicContact CB-CE1 3.81Å; P115-F335 HydrophobicContact CB-CE2 4.05Å; P115-F335 HydrophobicContact CB-CG 4.08Å; P115-F335 HydrophobicContact CB-CZ 3.88Å; P115-F335 HydrophobicContact CG-CD2 4.04Å; P115-F335 HydrophobicContact CG-CE2 4.19Å; P115-F335 HydrophobicContact CG-CG 4.24Å; N119-F335 PolarHBondContact ND2-O 2.84Å; T274-F335 WeakPolarHBondContact OG1-CD2 3.49Å; T274-F335 PolarHBondContact OG1-N 2.76Å; T274-F335 VanDerWaalsContact OG1-N 3.14Å; T275-F335 HydrophobicContact CG2-CD2 3.81Å; T275-F335 HydrophobicContact CG2-CE2 3.66Å; H327-F335 WeakPolarHBondContact O-CZ 3.31Å; R333-F335 HydrophobicContact CB-CD2 4.14Å; R333-F335 HydrophobicContact CB-CE1 4.15Å; R333-F335 HydrophobicContact CB-CE2 3.6Å; R333-F335 HydrophobicContact CB-CZ 3.61Å; R333-F335 HydrophobicContact CG-CE1 4.27Å; R333-F335 HydrophobicContact CG-CE2 4.15Å; R333-F335 HydrophobicContact CG-CZ 3.71Å; F335-K337 VanDerWaalsContact C-N 3.3Å; F335-Y418 WeakPolarHBondContact CZ-OH 3.4Å
336D98.6Very high97.3Very high2 Ų211.8 Ų11.81%0.0117%0.072CC..THydrogen-bonded Turntrans-75-16.4174.8-78.4-8.9000113.3L114 T206 R207 T274 R278 W281 W334L114-D336 VanDerWaalsContact CD1-OD1 3.24Å; L114-D336 WeakPolarHBondContact CD1-OD1 3.29Å; T206-D336 CarbonylContact C-O 3.48Å; T206-D336 WeakPolarHBondContact CA-O 3.47Å; T206-D336 PolarHBondContact OG1-O 3.35Å; R207-D336 PolarHBondContact N-O 2.89Å; R207-D336 VanDerWaalsContact O-CB 3.28Å; R207-D336 WeakPolarHBondContact O-CB 3.28Å; R207-D336 VanDerWaalsContact O-CG 3.26Å; T274-D336 HydrophobicContact CG2-CB 4.4Å; R278-D336 IonicContact CZ-OD1 3.49Å; R278-D336 IonicContact NH1-OD1 3.52Å; R278-D336 PolarHBondContact NH1-OD1 3.26Å; R278-D336 IonicContact NH2-OD1 3.84Å; R278-D336 PolarHBondContact NH2-OD1 3.37Å; R278-D336 IonicContact NH2-OD2 2.74Å; W281-D336 PolarHBondContact NE1-OD2 2.93Å; W334-D336 PolarHBondContact O-N 2.88Å; W334-D336 VanDerWaalsContact O-N 3.11Å
337K98.7Very high97.1Very high1 Ų112.2 Ų12.20%0.0048%0.077CC..BIsolated β-bridgetrans-70.3142.7-177.6-156.870.5-175.3177.70110.4I301 A302 G304 V307 W334 F335 M339 E354I301-K337 PolarHBondContact O-NZ 2.85Å; A302-K337 PolarHBondContact O-NZ 3.45Å; G304-K337 WeakPolarHBondContact O-CE 3.34Å; G304-K337 PolarHBondContact O-NZ 3.09Å; V307-K337 HydrophobicContact CB-CG 4.39Å; V307-K337 HydrophobicContact CG2-CB 3.96Å; V307-K337 HydrophobicContact CG2-CD 3.93Å; V307-K337 HydrophobicContact CG2-CG 3.74Å; W334-K337 WeakPolarHBondContact O-CB 3.48Å; W334-K337 PolarHBondContact O-N 3Å; F335-K337 VanDerWaalsContact C-N 3.3Å; K337-M339 VanDerWaalsContact CG-O 3.29Å; K337-M339 WeakPolarHBondContact CG-O 3.45Å; K337-M339 PolarHBondContact O-N 3.2Å; K337-M339 VanDerWaalsContact O-N 3.12Å; K337-E354 VanDerWaalsContact O-CB 3.29Å; K337-E354 WeakPolarHBondContact O-CB 3.16Å
338S98.4Very high97Very high1 Ų113.1 Ų13.11%0.0078%0.082CC..SBendtrans-45.4-47.2174.251.80000112.1F201 L202 T205 F353 E354 W357F201-S338 WeakPolarHBondContact O-CB 3.42Å; F201-S338 PolarHBondContact O-OG 2.9Å; L202-S338 PolarHBondContact O-OG 3.34Å; T205-S338 WeakPolarHBondContact O-CB 3.39Å; T205-S338 PolarHBondContact O-N 3.2Å; T205-S338 VanDerWaalsContact O-N 3.1Å; T205-S338 PolarHBondContact O-OG 3.4Å; S338-F353 WeakPolarHBondContact O-CA 3.08Å; S338-F353 VanDerWaalsContact O-CB 3.32Å; S338-F353 WeakPolarHBondContact O-CB 2.96Å; S338-E354 PolarHBondContact O-N 2.93Å; S338-E354 VanDerWaalsContact O-N 3.09Å; S338-W357 PolarHBondContact O-NE1 3.11Å
339M97.9Very high97Very high0 Ų012.4 Ų12.40%07%0.074CC..EExtended strand (participates in β ladder)trans-148.8152.4171.364.1-175.9-175.200111.1L202 F203 F306 V307 K337 V351 F353 F366L202-M339 HydrophobicContact CB-CE 4.42Å; L202-M339 HydrophobicContact CB-SD 4.5Å; L202-M339 HydrophobicContact CD2-SD 3.9Å; F203-M339 HydrophobicContact CD1-CE 3.76Å; F203-M339 HydrophobicContact CE1-CE 3.4Å; F203-M339 HydrophobicContact CZ-CE 3.95Å; F306-M339 HydrophobicContact CB-CE 3.91Å; F306-M339 HydrophobicContact CB-CG 3.83Å; F306-M339 WeakPolarHBondContact CB-O 3.4Å; F306-M339 HydrophobicContact CD1-CE 3.77Å; F306-M339 HydrophobicContact CG-CE 4Å; V307-M339 PolarHBondContact N-O 3.08Å; K337-M339 VanDerWaalsContact CG-O 3.29Å; K337-M339 WeakPolarHBondContact CG-O 3.45Å; K337-M339 PolarHBondContact O-N 3.2Å; K337-M339 VanDerWaalsContact O-N 3.12Å; M339-V351 HydrophobicContact CB-CG1 3.97Å; M339-F353 HydrophobicContact CB-CB 4.17Å; M339-F366 HydrophobicContact CE-CE1 4.2Å; M339-F366 HydrophobicContact CE-CE2 4.04Å; M339-F366 HydrophobicContact CE-CZ 3.87Å; M339-F366 HydrophobicContact SD-CD1 4.17Å; M339-F366 HydrophobicContact SD-CE1 4.02Å; M339-F366 HydrophobicContact SD-CZ 4.31Å
340Q98.5Very high97.1Very high1 Ų18.2 Ų8.21%0.0055%0.052CC..EExtended strand (participates in β ladder)trans-131.6126.5169.969-168.5-5200109.8V307 N309 R333 W334 I342 V351 N352V307-Q340 HydrophobicContact CB-CB 3.79Å; V307-Q340 HydrophobicContact CG1-CB 4.17Å; V307-Q340 CarbonylContact O-C 3.46Å; V307-Q340 WeakPolarHBondContact O-CA 3.41Å; N309-Q340 WeakPolarHBondContact OD1-CB 3.46Å; N309-Q340 PolarHBondContact OD1-OE1 3.07Å; R333-Q340 VanDerWaalsContact CD-OE1 3.22Å; W334-Q340 VanDerWaalsContact N-OE1 3.12Å; Q340-I342 HydrophobicContact CG-CD1 4.44Å; Q340-I342 HydrophobicContact CG-CG1 4.42Å; Q340-V351 WeakPolarHBondContact O-CA 3.12Å; Q340-N352 HydrophobicContact CG-CB 3.74Å; Q340-N352 PolarHBondContact N-O 3.02Å; Q340-N352 PolarHBondContact NE2-OD1 2.72Å; Q340-N352 PolarHBondContact O-N 3.48Å
341I98.8Very high97.2Very high0 Ų08.2 Ų8.20%05%0.052CC..EExtended strand (participates in β ladder)trans-87121.9174.2-57.7-178.2000106.7W124 L142 A146 F306 V307 L308 N309 V343 G350 V351 F366W124-I341 HydrophobicContact CH2-CD1 4.5Å; W124-I341 HydrophobicContact CH2-CG1 4.49Å; W124-I341 HydrophobicContact CH2-CG2 4.32Å; W124-I341 HydrophobicContact CZ3-CG2 3.99Å; L142-I341 HydrophobicContact CD1-CG2 4Å; A146-I341 HydrophobicContact CB-CD1 4.48Å; F306-I341 HydrophobicContact CD2-CD1 4Å; F306-I341 HydrophobicContact CD2-CG1 4.09Å; F306-I341 HydrophobicContact CE2-CD1 3.57Å; F306-I341 HydrophobicContact CE2-CG1 4.12Å; F306-I341 HydrophobicContact CZ-CD1 4.04Å; V307-I341 PolarHBondContact O-N 3.46Å; L308-I341 CarbonylContact C-O 3.6Å; L308-I341 VanDerWaalsContact CA-O 3.31Å; L308-I341 WeakPolarHBondContact CA-O 3.27Å; L308-I341 HydrophobicContact CD1-CB 4.24Å; L308-I341 HydrophobicContact CD1-CG2 4.12Å; N309-I341 PolarHBondContact N-O 2.98Å; N309-I341 PolarHBondContact OD1-O 3.04Å; I341-V343 HydrophobicContact CG2-CG2 4.13Å; I341-G350 CarbonylContact C-O 3.56Å; I341-G350 WeakPolarHBondContact CA-O 3.31Å; I341-V351 HydrophobicContact CG1-CG2 4.43Å; I341-F366 HydrophobicContact CD1-CE1 4.44Å; I341-F366 HydrophobicContact CD1-CZ 4.19Å
342I98.6Very high97.3Very high0 Ų07.4 Ų7.40%05%0.047CC..EExtended strand (participates in β ladder)trans-107.2131.8176.9-59.1151.9000107.5N309 F325 R333 Q340 F344 A349 G350 N352N309-I342 HydrophobicContact CB-CB 4.3Å; N309-I342 HydrophobicContact CB-CG1 3.88Å; N309-I342 HydrophobicContact CB-CG2 4.36Å; N309-I342 WeakPolarHBondContact OD1-CG1 3.46Å; F325-I342 HydrophobicContact CD1-CB 3.93Å; F325-I342 HydrophobicContact CD1-CD1 3.81Å; F325-I342 HydrophobicContact CD1-CG1 4.47Å; F325-I342 HydrophobicContact CD1-CG2 4.34Å; F325-I342 HydrophobicContact CE1-CB 3.56Å; F325-I342 HydrophobicContact CE1-CD1 4.34Å; F325-I342 HydrophobicContact CE1-CG2 3.93Å; F325-I342 WeakPolarHBondContact CE1-O 3.46Å; F325-I342 HydrophobicContact CZ-CB 4.41Å; F325-I342 HydrophobicContact CZ-CG2 4.38Å; R333-I342 VanDerWaalsContact NE-CD1 3.3Å; Q340-I342 HydrophobicContact CG-CD1 4.44Å; Q340-I342 HydrophobicContact CG-CG1 4.42Å; I342-F344 HydrophobicContact CG2-CD1 4.03Å; I342-F344 HydrophobicContact CG2-CE1 3.77Å; I342-A349 VanDerWaalsContact O-CA 3.24Å; I342-A349 WeakPolarHBondContact O-CA 3.45Å; I342-G350 PolarHBondContact N-O 3.35Å; I342-G350 PolarHBondContact O-N 2.87Å; I342-N352 HydrophobicContact CD1-CB 3.97Å
343V98Very high97.3Very high0 Ų07.6 Ų7.60%05%0.048CC..EExtended strand (participates in β ladder)trans-126.7120.6177.5-169.80000108.7Q135 V138 A139 L142 L308 N309 D311 I341 A349Q135-V343 HydrophobicContact CG-CB 4.46Å; Q135-V343 HydrophobicContact CG-CG1 3.96Å; Q135-V343 PolarHBondContact NE2-O 3.09Å; V138-V343 HydrophobicContact CB-CG1 4.25Å; V138-V343 HydrophobicContact CG1-CG1 3.95Å; A139-V343 HydrophobicContact CB-CB 4.49Å; A139-V343 HydrophobicContact CB-CG1 4.46Å; A139-V343 HydrophobicContact CB-CG2 4.15Å; L142-V343 HydrophobicContact CD1-CG2 3.95Å; L308-V343 HydrophobicContact CD1-CG2 3.81Å; N309-V343 PolarHBondContact O-N 3.49Å; D311-V343 PolarHBondContact N-O 3.4Å; I341-V343 HydrophobicContact CG2-CG2 4.13Å; V343-A349 HydrophobicContact CG2-CB 4.17Å
344F96.4Very high97.3Very high0 Ų07.5 Ų7.50%05%0.047CC..  trans-76168.5177.7-74.34.3000111.9Q135 D311 L313 A315 V321 A324 F325 I342 D346 G347 L348Q135-F344 VanDerWaalsContact CB-O 3.31Å; Q135-F344 WeakPolarHBondContact CB-O 3.41Å; Q135-F344 VanDerWaalsContact CG-O 3.31Å; Q135-F344 WeakPolarHBondContact CG-O 3.48Å; Q135-F344 PolarHBondContact NE2-O 3.47Å; D311-F344 HydrophobicContact CB-CD1 3.99Å; D311-F344 HydrophobicContact CB-CE1 4.49Å; D311-F344 CarbonylContact O-C 3.51Å; L313-F344 HydrophobicContact CB-CD1 4.48Å; L313-F344 HydrophobicContact CB-CG 4.41Å; L313-F344 HydrophobicContact CD2-CD2 4.23Å; L313-F344 HydrophobicContact CD2-CE1 4.27Å; L313-F344 HydrophobicContact CD2-CE2 3.75Å; L313-F344 HydrophobicContact CD2-CZ 3.8Å; L313-F344 HydrophobicContact CG-CD2 4.4Å; L313-F344 HydrophobicContact CG-CE2 4.4Å; L313-F344 VanDerWaalsContact O-CB 3.29Å; L313-F344 WeakPolarHBondContact O-CB 3.3Å; A315-F344 HydrophobicContact CB-CD2 3.99Å; A315-F344 HydrophobicContact CB-CE2 3.79Å; V321-F344 HydrophobicContact CG2-CE2 4.3Å; A324-F344 HydrophobicContact CB-CE1 4.04Å; A324-F344 HydrophobicContact CB-CE2 4.44Å; A324-F344 HydrophobicContact CB-CZ 3.5Å; A324-F344 VanDerWaalsContact CB-CZ 3.5Å; F325-F344 HydrophobicContact CD2-CE1 4.21Å; F325-F344 HydrophobicContact CD2-CE2 4.22Å; F325-F344 AromaticContact CD2-CZ 3.58Å; F325-F344 HydrophobicContact CD2-CZ 3.58Å; F325-F344 HydrophobicContact CE2-CD1 4.41Å; F325-F344 HydrophobicContact CE2-CD2 4.33Å; F325-F344 AromaticContact CE2-CE1 3.73Å; F325-F344 HydrophobicContact CE2-CE1 3.73Å; F325-F344 AromaticContact CE2-CE2 3.62Å; F325-F344 HydrophobicContact CE2-CE2 3.62Å; F325-F344 AromaticContact CE2-CZ 3.24Å; F325-F344 HydrophobicContact CE2-CZ 3.24Å; F325-F344 HydrophobicContact CG-CZ 4.49Å; F325-F344 HydrophobicContact CZ-CD1 4.35Å; F325-F344 AromaticContact CZ-CE1 3.93Å; F325-F344 HydrophobicContact CZ-CE1 3.93Å; F325-F344 HydrophobicContact CZ-CE2 4.41Å; F325-F344 AromaticContact CZ-CZ 3.93Å; F325-F344 HydrophobicContact CZ-CZ 3.93Å; I342-F344 HydrophobicContact CG2-CD1 4.03Å; I342-F344 HydrophobicContact CG2-CE1 3.77Å; F344-D346 VanDerWaalsContact CB-OD1 3.23Å; F344-D346 WeakPolarHBondContact CB-OD1 3.36Å; F344-D346 PolarHBondContact O-N 3.37Å; F344-G347 PolarHBondContact O-N 3.42Å; F344-L348 HydrophobicContact CB-CB 4.23Å; F344-L348 WeakPolarHBondContact CB-O 3.31Å; F344-L348 HydrophobicContact CD2-CB 4.02Å; F344-L348 HydrophobicContact CD2-CD2 4.04Å; F344-L348 HydrophobicContact CD2-CG 4.43Å; F344-L348 HydrophobicContact CE2-CD2 4.09Å; F344-L348 HydrophobicContact CG-CB 4.42Å; F344-L348 PolarHBondContact N-O 2.93Å
345G93.1Very high97.2Very high26 Ų269.1 Ų9.127%0.2686%0.055SC..THydrogen-bonded Turntrans-63-30.1-179.500000112.7D311 L313 N314 G347D311-G345 PolarHBondContact O-N 3.22Å; L313-G345 PolarHBondContact O-N 3.45Å; N314-G345 VanDerWaalsContact OD1-C 3.23Å; N314-G345 WeakPolarHBondContact OD1-CA 3.27Å; G345-G347 VanDerWaalsContact C-N 3.31Å
346D91.1Very high97.1Very high62 Ų629.1 Ų9.133%0.3326%0.055SC..THydrogen-bonded Turntrans-87.15176.962.313.2000114K133 N314 A315 F344 L348K133-D346 CarbonylContact O-C 3.53Å; K133-D346 VanDerWaalsContact O-C 3.3Å; N314-D346 WeakPolarHBondContact CA-OD2 3.49Å; N314-D346 HydrophobicContact CB-CB 4.4Å; N314-D346 PolarHBondContact OD1-N 2.92Å; A315-D346 PolarHBondContact N-OD2 3.25Å; F344-D346 VanDerWaalsContact CB-OD1 3.23Å; F344-D346 WeakPolarHBondContact CB-OD1 3.36Å; F344-D346 PolarHBondContact O-N 3.37Å; D346-L348 VanDerWaalsContact C-N 3.33Å; D346-L348 PolarHBondContact O-N 2.75Å; D346-L348 WeakPolarHBondContact OD1-CB 3.41Å; D346-L348 PolarHBondContact OD1-N 2.92Å
347G93.4Very high97Very high9 Ų99.1 Ų9.19%0.0936%0.055CC..  trans811.7179.700000115.1K133 V138 F344 G345 A349K133-G347 WeakPolarHBondContact O-CA 3.33Å; K133-G347 PolarHBondContact O-N 2.78Å; V138-G347 WeakPolarHBondContact CG1-O 3.29Å; F344-G347 PolarHBondContact O-N 3.42Å; G345-G347 VanDerWaalsContact C-N 3.31Å; G347-A349 PolarHBondContact O-N 2.93Å
348L95.4Very high96.7Very high29 Ų299.1 Ų9.115%0.1526%0.055CC..  trans-63.4129.7171.1-174.466.3000109.7V123 V321 F325 F344 D346 L582V123-L348 HydrophobicContact CG1-CD1 3.89Å; V123-L348 HydrophobicContact CG1-CD2 4.37Å; V123-L348 HydrophobicContact CG1-CG 4.1Å; V321-L348 HydrophobicContact CB-CD2 4.34Å; V321-L348 HydrophobicContact CG1-CD2 3.77Å; V321-L348 HydrophobicContact CG2-CD2 3.54Å; F325-L348 HydrophobicContact CE2-CD2 4.35Å; F325-L348 HydrophobicContact CE2-CG 4.42Å; F344-L348 HydrophobicContact CB-CB 4.23Å; F344-L348 WeakPolarHBondContact CB-O 3.31Å; F344-L348 HydrophobicContact CD2-CB 4.02Å; F344-L348 HydrophobicContact CD2-CD2 4.04Å; F344-L348 HydrophobicContact CD2-CG 4.43Å; F344-L348 HydrophobicContact CE2-CD2 4.09Å; F344-L348 HydrophobicContact CG-CB 4.42Å; F344-L348 PolarHBondContact N-O 2.93Å; D346-L348 VanDerWaalsContact C-N 3.33Å; D346-L348 PolarHBondContact O-N 2.75Å; D346-L348 WeakPolarHBondContact OD1-CB 3.41Å; D346-L348 PolarHBondContact OD1-N 2.92Å; L348-L582 HydrophobicContact CD1-CD2 4.3Å
349A97.6Very high96.3Very high2 Ų210.2 Ų10.22%0.0176%0.061CC..EExtended strand (participates in β ladder)trans-131156-173.300000112.8V123 W124 F127 V138 L142 I342 V343 G347V123-A349 WeakPolarHBondContact CG1-O 3.36Å; W124-A349 HydrophobicContact CE3-CB 3.84Å; W124-A349 HydrophobicContact CZ3-CB 4.22Å; W124-A349 PolarHBondContact N-O 3.13Å; F127-A349 HydrophobicContact CE2-CB 4.47Å; V138-A349 HydrophobicContact CG1-CB 4.18Å; L142-A349 HydrophobicContact CD1-CB 3.58Å; I342-A349 VanDerWaalsContact O-CA 3.24Å; I342-A349 WeakPolarHBondContact O-CA 3.45Å; V343-A349 HydrophobicContact CG2-CB 4.17Å; G347-A349 PolarHBondContact O-N 2.93Å
350G98Very high95.9Very high0 Ų011 Ų110%07%0.069CC..EExtended strand (participates in β ladder)trans-170.6-179.1179.500000112.1L122 I341 I342L122-G350 CarbonylContact O-C 3.55Å; L122-G350 WeakPolarHBondContact O-CA 3.22Å; I341-G350 CarbonylContact C-O 3.56Å; I341-G350 WeakPolarHBondContact CA-O 3.31Å; I342-G350 PolarHBondContact N-O 3.35Å; I342-G350 PolarHBondContact O-N 2.87Å
351V98.6Very high95.6Very high0 Ų013 Ų130%08%0.081CC..EExtended strand (participates in β ladder)trans-124.4127.9-177.2-179.90000109.6F121 L122 W124 M339 Q340 I341 F353 V363 F366 M367F121-V351 CarbonylContact C-O 3.48Å; F121-V351 VanDerWaalsContact CA-O 3.23Å; F121-V351 WeakPolarHBondContact CA-O 3.4Å; L122-V351 PolarHBondContact N-O 2.87Å; L122-V351 PolarHBondContact O-N 3.2Å; W124-V351 HydrophobicContact CH2-CG2 3.43Å; W124-V351 VanDerWaalsContact CH2-CG2 3.43Å; W124-V351 HydrophobicContact CZ2-CG2 4.07Å; W124-V351 HydrophobicContact CZ3-CG2 3.81Å; M339-V351 HydrophobicContact CB-CG1 3.97Å; Q340-V351 WeakPolarHBondContact O-CA 3.12Å; I341-V351 HydrophobicContact CG1-CG2 4.43Å; V351-F353 HydrophobicContact CG1-CB 4.27Å; V351-F353 HydrophobicContact CG1-CD1 4.32Å; V351-V363 HydrophobicContact CG1-CG1 4.04Å; V351-F366 HydrophobicContact CG2-CE1 4.49Å; V351-M367 HydrophobicContact CB-CE 4.39Å; V351-M367 HydrophobicContact CB-SD 3.98Å; V351-M367 HydrophobicContact CG2-CE 4.05Å; V351-M367 HydrophobicContact CG2-CG 3.95Å; V351-M367 HydrophobicContact CG2-SD 3.86Å
352N98.5Very high95.5Very high1 Ų113 Ų131%0.0058%0.081CC..EExtended strand (participates in β ladder)trans-100.9137.2158.4178.9-77.4000107.5N119 F325 L326 Q340 I342N119-N352 PolarHBondContact ND2-OD1 3.08Å; F325-N352 PolarHBondContact O-ND2 2.74Å; L326-N352 PolarHBondContact O-ND2 3.1Å; L326-N352 VanDerWaalsContact O-ND2 3.13Å; Q340-N352 HydrophobicContact CG-CB 3.74Å; Q340-N352 PolarHBondContact N-O 3.02Å; Q340-N352 PolarHBondContact NE2-OD1 2.72Å; Q340-N352 PolarHBondContact O-N 3.48Å; I342-N352 HydrophobicContact CD1-CB 3.97Å
353F98.5Very high95.5Very high12 Ų1213 Ų135%0.0538%0.081CC..EExtended strand (participates in β ladder)trans-138.3146.8-176.863.1-89.6000112.8N119 P120 L122 S338 M339 V351 V363N119-F353 VanDerWaalsContact CA-O 3.31Å; N119-F353 WeakPolarHBondContact CA-O 3.31Å; N119-F353 WeakPolarHBondContact CB-O 3.42Å; P120-F353 HydrophobicContact CB-CE1 4.41Å; P120-F353 HydrophobicContact CB-CZ 4.32Å; P120-F353 WeakPolarHBondContact CD-O 3.37Å; P120-F353 HydrophobicContact CG-CD1 4Å; P120-F353 HydrophobicContact CG-CD2 4Å; P120-F353 HydrophobicContact CG-CE1 3.46Å; P120-F353 VanDerWaalsContact CG-CE1 3.46Å; P120-F353 HydrophobicContact CG-CE2 3.43Å; P120-F353 VanDerWaalsContact CG-CE2 3.43Å; P120-F353 HydrophobicContact CG-CG 4.27Å; P120-F353 HydrophobicContact CG-CZ 3.15Å; P120-F353 PolarHBondContact O-N 3.08Å; L122-F353 HydrophobicContact CD1-CE1 4.28Å; L122-F353 HydrophobicContact CG-CE1 4.33Å; S338-F353 WeakPolarHBondContact O-CA 3.08Å; S338-F353 VanDerWaalsContact O-CB 3.32Å; S338-F353 WeakPolarHBondContact O-CB 2.96Å; M339-F353 HydrophobicContact CB-CB 4.17Å; V351-F353 HydrophobicContact CG1-CB 4.27Å; V351-F353 HydrophobicContact CG1-CD1 4.32Å; F353-V363 HydrophobicContact CB-CG2 4.3Å; F353-V363 HydrophobicContact CD1-CB 4.4Å; F353-V363 HydrophobicContact CD1-CG1 3.8Å; F353-V363 HydrophobicContact CD1-CG2 4.21Å; F353-V363 HydrophobicContact CD2-CG2 3.97Å; F353-V363 HydrophobicContact CE1-CB 4.34Å; F353-V363 HydrophobicContact CE1-CG1 3.96Å; F353-V363 HydrophobicContact CE1-CG2 4.44Å; F353-V363 HydrophobicContact CE2-CG2 4.24Å; F353-V363 HydrophobicContact CG-CG1 4.31Å; F353-V363 HydrophobicContact CG-CG2 3.93Å; F353-V363 HydrophobicContact CZ-CG2 4.45Å
354E98.4Very high95.3Very high0 Ų015.3 Ų15.30%09%0.093CC..  trans-77127.3175.9-162.1-74.6137.300109.2L114 R207 K337 S338 S356 W357L114-E354 HydrophobicContact CD1-CG 3.84Å; R207-E354 HydrophobicContact CB-CG 4.23Å; R207-E354 VanDerWaalsContact CD-CD 3.48Å; R207-E354 VanDerWaalsContact CD-OE1 3.23Å; R207-E354 WeakPolarHBondContact CD-OE1 3.09Å; R207-E354 IonicContact CZ-OE1 3.22Å; R207-E354 IonicContact NE-OE1 3.95Å; R207-E354 IonicContact NH1-OE1 2.95Å; R207-E354 PolarHBondContact NH1-OE1 2.83Å; K337-E354 VanDerWaalsContact O-CB 3.29Å; K337-E354 WeakPolarHBondContact O-CB 3.16Å; S338-E354 PolarHBondContact O-N 2.93Å; S338-E354 VanDerWaalsContact O-N 3.09Å; E354-S356 VanDerWaalsContact CD-N 3.34Å; E354-S356 WeakPolarHBondContact OE1-CB 3.31Å; E354-S356 PolarHBondContact OE1-N 2.94Å; E354-S356 VanDerWaalsContact OE1-N 3.07Å; E354-S356 PolarHBondContact OE1-OG 2.92Å; E354-S356 WeakPolarHBondContact OE2-CB 3.31Å; E354-S356 PolarHBondContact OE2-N 2.94Å; E354-S356 VanDerWaalsContact OE2-N 3.15Å; E354-S356 PolarHBondContact OE2-OG 3.21Å; E354-W357 PolarHBondContact O-NE1 2.9Å
355H96.5Very high95.3Very high46 Ų4616.3 Ų16.321%0.21310%0.097CC..SBendtrans-85.5-16.5-165.7-165.2-53.2000113.7Q118 W357Q118-H355 HydrophobicContact CB-CB 4.44Å; Q118-H355 WeakPolarHBondContact O-CB 3.46Å; H355-W357 VanDerWaalsContact C-N 3.32Å; H355-W357 PolarHBondContact O-N 3.38Å
356S96Very high95.5Very high0 Ų015 Ų150%08%0.084CC..THydrogen-bonded Turntrans-67.1-30.7-17274.60000113.8F104 F108 E354F104-S356 WeakPolarHBondContact CD1-O 3.24Å; F104-S356 WeakPolarHBondContact CE1-O 3.48Å; F108-S356 WeakPolarHBondContact CE1-OG 3.35Å; E354-S356 VanDerWaalsContact CD-N 3.34Å; E354-S356 WeakPolarHBondContact OE1-CB 3.31Å; E354-S356 PolarHBondContact OE1-N 2.94Å; E354-S356 VanDerWaalsContact OE1-N 3.07Å; E354-S356 PolarHBondContact OE1-OG 2.92Å; E354-S356 WeakPolarHBondContact OE2-CB 3.31Å; E354-S356 PolarHBondContact OE2-N 2.94Å; E354-S356 VanDerWaalsContact OE2-N 3.15Å; E354-S356 PolarHBondContact OE2-OG 3.21Å
357W96Very high95.9Very high1 Ų112.1 Ų12.10%0.0047%0.068CC..THydrogen-bonded Turntrans-78-19-174.967.2-99.4000114.5F104 Q198 F201 L202 L216 S338 E354 H355 A362 V363F104-W357 WeakPolarHBondContact CE1-O 3.39Å; Q198-W357 HydrophobicContact CB-CZ3 4.44Å; F201-W357 HydrophobicContact CB-CB 4Å; F201-W357 HydrophobicContact CB-CD2 3.76Å; F201-W357 HydrophobicContact CB-CE3 3.45Å; F201-W357 VanDerWaalsContact CB-CE3 3.45Å; F201-W357 HydrophobicContact CB-CG 4.03Å; F201-W357 HydrophobicContact CB-CZ3 4.18Å; F201-W357 HydrophobicContact CD2-CB 4.39Å; F201-W357 HydrophobicContact CD2-CE3 4.28Å; F201-W357 HydrophobicContact CG-CB 4.28Å; F201-W357 HydrophobicContact CG-CE3 4.35Å; L202-W357 HydrophobicContact CD2-CH2 3.61Å; L202-W357 HydrophobicContact CD2-CZ2 4.11Å; L202-W357 HydrophobicContact CG-CH2 4.04Å; L216-W357 HydrophobicContact CD1-CB 3.63Å; L216-W357 HydrophobicContact CD2-CB 3.94Å; L216-W357 HydrophobicContact CG-CB 4.45Å; S338-W357 PolarHBondContact O-NE1 3.11Å; E354-W357 PolarHBondContact O-NE1 2.9Å; H355-W357 VanDerWaalsContact C-N 3.32Å; H355-W357 PolarHBondContact O-N 3.38Å; W357-A362 HydrophobicContact CH2-CB 4.09Å; W357-A362 HydrophobicContact CZ3-CB 4.08Å; W357-V363 HydrophobicContact CH2-CG2 3.64Å; W357-V363 HydrophobicContact CZ2-CG2 3.57Å
358G92.1Very high96Very high1 Ų114.5 Ų14.51%0.018%0.077CC..  trans-170.2174.7-175.800000115.2
359D90.5Very high96.1Very high25 Ų2513.3 Ų13.313%0.1347%0.071CC..  trans-97.316.2-171.6-54.1-56.2000114Q198 V361 R482 T483Q198-D359 PolarHBondContact NE2-OD2 3.48Å; D359-V361 VanDerWaalsContact C-N 3.28Å; D359-V361 PolarHBondContact O-N 3.45Å; D359-R482 IonicContact OD1-CZ 2.75Å; D359-R482 VanDerWaalsContact OD1-CZ 3.26Å; D359-R482 IonicContact OD1-NE 3.19Å; D359-R482 PolarHBondContact OD1-NE 2.88Å; D359-R482 IonicContact OD1-NH2 3.83Å; D359-R482 PolarHBondContact OD1-NH2 2.93Å; D359-R482 WeakPolarHBondContact OD2-CA 3.38Å; D359-R482 WeakPolarHBondContact OD2-CD 3.4Å; D359-R482 IonicContact OD2-CZ 3.32Å; D359-R482 IonicContact OD2-NE 2.7Å; D359-R482 PolarHBondContact OD2-NE 2.71Å; D359-R482 IonicContact OD2-NH2 2.72Å; D359-T483 HydrophobicContact CB-CG2 3.92Å
360G90.7Very high96Very high15 Ų1513.2 Ų13.216%0.1557%0.07CC..SBendtrans82.4-17.3178.700000115.9A362 V363 L364G360-A362 VanDerWaalsContact C-N 3.31Å; G360-A362 PolarHBondContact O-N 3.31Å; G360-V363 WeakPolarHBondContact O-CB 3.49Å; G360-V363 PolarHBondContact O-N 3.01Å; G360-L364 PolarHBondContact O-N 2.9Å
361V92.5Very high95.9Very high43 Ų4313.2 Ų13.226%0.2617%0.07SC..Hα-helixtrans-56.8-44.3178.1178.10000111.8D359 V363 L364 R365D359-V361 VanDerWaalsContact C-N 3.28Å; D359-V361 PolarHBondContact O-N 3.45Å; V361-V363 VanDerWaalsContact C-N 3.31Å; V361-V363 PolarHBondContact O-N 3.36Å; V361-L364 PolarHBondContact O-N 3.44Å; V361-R365 PolarHBondContact O-N 2.83Å
362A96.3Very high95.8Very high1 Ų117 Ų171%0.0089%0.085CC..Hα-helixtrans-64.2-35.817700000112.5Y199 L202 W357 G360 F366Y199-A362 HydrophobicContact CD1-CB 4.18Å; Y199-A362 HydrophobicContact CD2-CB 3.71Å; Y199-A362 HydrophobicContact CE1-CB 4.25Å; Y199-A362 HydrophobicContact CE2-CB 3.82Å; Y199-A362 HydrophobicContact CG-CB 3.9Å; L202-A362 HydrophobicContact CD1-CB 4.09Å; L202-A362 HydrophobicContact CD2-CB 4.29Å; L202-A362 HydrophobicContact CG-CB 4.15Å; W357-A362 HydrophobicContact CH2-CB 4.09Å; W357-A362 HydrophobicContact CZ3-CB 4.08Å; G360-A362 VanDerWaalsContact C-N 3.31Å; G360-A362 PolarHBondContact O-N 3.31Å; A362-F366 VanDerWaalsContact O-CB 3.3Å; A362-F366 WeakPolarHBondContact O-CB 3.28Å; A362-F366 PolarHBondContact O-N 3.26Å
363V97.1Very high95.6Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-68.9-44.3176.9-178.60000110.3L122 L202 V351 F353 W357 G360 V361 F366 M367L122-V363 HydrophobicContact CD1-CG1 4.41Å; L202-V363 HydrophobicContact CD2-CG2 4.06Å; V351-V363 HydrophobicContact CG1-CG1 4.04Å; F353-V363 HydrophobicContact CB-CG2 4.3Å; F353-V363 HydrophobicContact CD1-CB 4.4Å; F353-V363 HydrophobicContact CD1-CG1 3.8Å; F353-V363 HydrophobicContact CD1-CG2 4.21Å; F353-V363 HydrophobicContact CD2-CG2 3.97Å; F353-V363 HydrophobicContact CE1-CB 4.34Å; F353-V363 HydrophobicContact CE1-CG1 3.96Å; F353-V363 HydrophobicContact CE1-CG2 4.44Å; F353-V363 HydrophobicContact CE2-CG2 4.24Å; F353-V363 HydrophobicContact CG-CG1 4.31Å; F353-V363 HydrophobicContact CG-CG2 3.93Å; F353-V363 HydrophobicContact CZ-CG2 4.45Å; W357-V363 HydrophobicContact CH2-CG2 3.64Å; W357-V363 HydrophobicContact CZ2-CG2 3.57Å; G360-V363 WeakPolarHBondContact O-CB 3.49Å; G360-V363 PolarHBondContact O-N 3.01Å; V361-V363 VanDerWaalsContact C-N 3.31Å; V361-V363 PolarHBondContact O-N 3.36Å; V363-F366 WeakPolarHBondContact O-CB 3.42Å; V363-F366 PolarHBondContact O-N 2.94Å; V363-M367 HydrophobicContact CG1-CG 4.39Å; V363-M367 HydrophobicContact CG1-SD 4.25Å; V363-M367 VanDerWaalsContact O-CG 3.32Å; V363-M367 WeakPolarHBondContact O-CG 3.39Å; V363-M367 PolarHBondContact O-N 2.92Å
364L95.5Very high95.5Very high48 Ų4816.6 Ų16.625%0.2518%0.083SC..Hα-helixtrans-61.5-47.8178.5-174.461.5000111.3L122 G360 V361 F366 M367 E368 I581L122-L364 HydrophobicContact CD1-CD1 4.5Å; G360-L364 PolarHBondContact O-N 2.9Å; V361-L364 PolarHBondContact O-N 3.44Å; L364-F366 VanDerWaalsContact C-N 3.35Å; L364-F366 PolarHBondContact O-N 3.03Å; L364-M367 PolarHBondContact O-N 3.32Å; L364-M367 VanDerWaalsContact O-N 3.15Å; L364-E368 WeakPolarHBondContact O-CG 3.37Å; L364-E368 PolarHBondContact O-N 3.15Å; L364-I581 HydrophobicContact CD1-CD1 4.36Å; L364-I581 HydrophobicContact CD1-CG1 3.87Å
365R95.7Very high95.2Very high21 Ų2121.9 Ų21.98%0.07910%0.103CC..Hα-helixtrans-58.7-45.4175.5175.259.5-173.3-77.3-2.8111.9E23 F149 K159 E161 Y199 V361 M367 E368 D369E23-R365 IonicContact OE1-NH2 2.79Å; E23-R365 PolarHBondContact OE1-NH2 3.34Å; F149-R365 HydrophobicContact CE2-CG 4.37Å; K159-R365 PolarHBondContact O-NH1 2.9Å; K159-R365 VanDerWaalsContact O-NH1 3.14Å; K159-R365 PolarHBondContact O-NH2 3.36Å; E161-R365 VanDerWaalsContact OE2-CD 3.24Å; E161-R365 WeakPolarHBondContact OE2-CD 3.25Å; E161-R365 WeakPolarHBondContact OE2-CG 3.43Å; E161-R365 IonicContact OE2-CZ 3.15Å; E161-R365 IonicContact OE2-NE 3.41Å; E161-R365 IonicContact OE2-NH1 2.81Å; E161-R365 PolarHBondContact OE2-NH1 3.25Å; Y199-R365 HydrophobicContact CE1-CB 4.06Å; Y199-R365 HydrophobicContact CE1-CG 3.84Å; Y199-R365 WeakPolarHBondContact OH-CB 3.29Å; V361-R365 PolarHBondContact O-N 2.83Å; R365-M367 VanDerWaalsContact C-N 3.34Å; R365-M367 PolarHBondContact O-N 3.35Å; R365-E368 PolarHBondContact O-N 2.73Å; R365-D369 IonicContact CZ-OD2 3.18Å; R365-D369 VanDerWaalsContact NE-CG 3.28Å; R365-D369 IonicContact NE-OD1 3.26Å; R365-D369 PolarHBondContact NE-OD1 2.71Å; R365-D369 IonicContact NE-OD2 3.41Å; R365-D369 PolarHBondContact NE-OD2 2.84Å; R365-D369 IonicContact NH2-OD2 2.96Å; R365-D369 PolarHBondContact NH2-OD2 3.23Å; R365-D369 VanDerWaalsContact NH2-OD2 3.15Å; R365-D369 WeakPolarHBondContact O-CB 3.32Å; R365-D369 PolarHBondContact O-N 3.11Å
366F97.9Very high94.9Very high0 Ų025.8 Ų25.80%012%0.121CC..Hα-helixtrans-55.7-48.4174166.6-97.8000111.6W124 A146 F149 L202 F203 M339 I341 V351 A362 V363 L364 D369 V370W124-F366 HydrophobicContact CH2-CE1 4.37Å; W124-F366 HydrophobicContact CZ2-CE1 4.31Å; A146-F366 HydrophobicContact CB-CE2 3.73Å; A146-F366 HydrophobicContact CB-CZ 3.68Å; F149-F366 HydrophobicContact CB-CD2 4.33Å; F149-F366 HydrophobicContact CB-CE2 4.49Å; F149-F366 AromaticContact CD1-CD2 3.72Å; F149-F366 HydrophobicContact CD1-CD2 3.72Å; F149-F366 HydrophobicContact CD1-CE2 4.44Å; F149-F366 HydrophobicContact CD2-CD2 4.32Å; F149-F366 HydrophobicContact CE1-CB 4.31Å; F149-F366 HydrophobicContact CE1-CD2 4.06Å; F149-F366 HydrophobicContact CE2-CB 4.35Å; F149-F366 AromaticContact CG-CD2 3.86Å; F149-F366 HydrophobicContact CG-CD2 3.86Å; F149-F366 HydrophobicContact CG-CE2 4.48Å; F149-F366 HydrophobicContact CZ-CB 4.09Å; F149-F366 HydrophobicContact CZ-CD2 4.49Å; L202-F366 HydrophobicContact CD1-CB 4.22Å; L202-F366 HydrophobicContact CD2-CB 4.36Å; F203-F366 HydrophobicContact CE1-CE2 4.12Å; F203-F366 AromaticContact CZ-CD2 3.93Å; F203-F366 HydrophobicContact CZ-CD2 3.93Å; F203-F366 AromaticContact CZ-CE2 3.76Å; F203-F366 HydrophobicContact CZ-CE2 3.76Å; M339-F366 HydrophobicContact CE-CE1 4.2Å; M339-F366 HydrophobicContact CE-CE2 4.04Å; M339-F366 HydrophobicContact CE-CZ 3.87Å; M339-F366 HydrophobicContact SD-CD1 4.17Å; M339-F366 HydrophobicContact SD-CE1 4.02Å; M339-F366 HydrophobicContact SD-CZ 4.31Å; I341-F366 HydrophobicContact CD1-CE1 4.44Å; I341-F366 HydrophobicContact CD1-CZ 4.19Å; V351-F366 HydrophobicContact CG2-CE1 4.49Å; A362-F366 VanDerWaalsContact O-CB 3.3Å; A362-F366 WeakPolarHBondContact O-CB 3.28Å; A362-F366 PolarHBondContact O-N 3.26Å; V363-F366 WeakPolarHBondContact O-CB 3.42Å; V363-F366 PolarHBondContact O-N 2.94Å; L364-F366 VanDerWaalsContact C-N 3.35Å; L364-F366 PolarHBondContact O-N 3.03Å; F366-D369 PolarHBondContact O-N 2.6Å; F366-V370 HydrophobicContact CD2-CG2 3.9Å; F366-V370 HydrophobicContact CE1-CG2 4.31Å; F366-V370 HydrophobicContact CE2-CG2 3.56Å; F366-V370 HydrophobicContact CG-CG2 4.42Å; F366-V370 HydrophobicContact CZ-CG2 3.79Å; F366-V370 VanDerWaalsContact O-CB 3.3Å; F366-V370 WeakPolarHBondContact O-CB 3.45Å; F366-V370 VanDerWaalsContact O-CG2 3.26Å; F366-V370 WeakPolarHBondContact O-CG2 3.35Å; F366-V370 PolarHBondContact O-N 3.15Å
367M97.8Very high94.7Very high0 Ų029.6 Ų29.60%014%0.139CC..Hα-helixtrans-64.3-41.8-179.4-72.5-17377.800112.6L122 W124 V351 V363 L364 R365 S371 I581L122-M367 HydrophobicContact CB-CE 3.77Å; L122-M367 HydrophobicContact CB-SD 3.46Å; L122-M367 WeakPolarHBondContact CB-SD 3.26Å; L122-M367 HydrophobicContact CD1-SD 3.66Å; L122-M367 HydrophobicContact CG-SD 4.2Å; W124-M367 HydrophobicContact CD2-CE 3.5Å; W124-M367 VanDerWaalsContact CE2-CE 3.46Å; W124-M367 HydrophobicContact CE3-CE 3.99Å; W124-M367 HydrophobicContact CG-CE 3.8Å; W124-M367 HydrophobicContact CH2-CE 4.36Å; W124-M367 HydrophobicContact CH2-CG 4.4Å; W124-M367 HydrophobicContact CZ2-CB 4.01Å; W124-M367 HydrophobicContact CZ2-CE 3.94Å; W124-M367 HydrophobicContact CZ2-CG 3.62Å; W124-M367 HydrophobicContact CZ3-CE 4.37Å; W124-M367 PolarHBondContact NE1-O 3.09Å; V351-M367 HydrophobicContact CB-CE 4.39Å; V351-M367 HydrophobicContact CB-SD 3.98Å; V351-M367 HydrophobicContact CG2-CE 4.05Å; V351-M367 HydrophobicContact CG2-CG 3.95Å; V351-M367 HydrophobicContact CG2-SD 3.86Å; V363-M367 HydrophobicContact CG1-CG 4.39Å; V363-M367 HydrophobicContact CG1-SD 4.25Å; V363-M367 VanDerWaalsContact O-CG 3.32Å; V363-M367 WeakPolarHBondContact O-CG 3.39Å; V363-M367 PolarHBondContact O-N 2.92Å; L364-M367 PolarHBondContact O-N 3.32Å; L364-M367 VanDerWaalsContact O-N 3.15Å; R365-M367 VanDerWaalsContact C-N 3.34Å; R365-M367 PolarHBondContact O-N 3.35Å; M367-S371 WeakPolarHBondContact O-CB 3.48Å; M367-S371 PolarHBondContact O-N 3Å; M367-I581 HydrophobicContact CB-CD1 4.22Å; M367-I581 HydrophobicContact CE-CD1 3.48Å; M367-I581 VanDerWaalsContact CE-CD1 3.48Å; M367-I581 HydrophobicContact SD-CD1 3.83Å
368E95.9Very high94.2Very high60 Ų6030.5 Ų30.528%0.2814%0.144SC..Hα-helixtrans-64.6-45.1178.4-72.6174.3158.500112.1L364 R365 S371 R372 S578L364-E368 WeakPolarHBondContact O-CG 3.37Å; L364-E368 PolarHBondContact O-N 3.15Å; R365-E368 PolarHBondContact O-N 2.73Å; E368-S371 PolarHBondContact O-N 3.3Å; E368-R372 WeakPolarHBondContact O-CB 3.11Å; E368-R372 PolarHBondContact O-N 2.84Å; E368-S578 WeakPolarHBondContact CG-OG 3.46Å; E368-S578 VanDerWaalsContact OE1-CB 3.24Å; E368-S578 WeakPolarHBondContact OE1-CB 3.44Å; E368-S578 PolarHBondContact OE1-OG 2.96Å
369D97Very high94.1Very high4 Ų433 Ų332%0.02115%0.153CC..Hα-helixtrans-68.5-45.2179.9-82.7-0.2000112.3L22 F149 R365 F366 S371 R372 D373L22-D369 HydrophobicContact CD2-CB 3.66Å; F149-D369 HydrophobicContact CD2-CB 3.69Å; F149-D369 HydrophobicContact CE2-CB 3.9Å; F149-D369 WeakPolarHBondContact CE2-OD2 3.46Å; R365-D369 IonicContact CZ-OD2 3.18Å; R365-D369 VanDerWaalsContact NE-CG 3.28Å; R365-D369 IonicContact NE-OD1 3.26Å; R365-D369 PolarHBondContact NE-OD1 2.71Å; R365-D369 IonicContact NE-OD2 3.41Å; R365-D369 PolarHBondContact NE-OD2 2.84Å; R365-D369 IonicContact NH2-OD2 2.96Å; R365-D369 PolarHBondContact NH2-OD2 3.23Å; R365-D369 VanDerWaalsContact NH2-OD2 3.15Å; R365-D369 WeakPolarHBondContact O-CB 3.32Å; R365-D369 PolarHBondContact O-N 3.11Å; F366-D369 PolarHBondContact O-N 2.6Å; D369-S371 VanDerWaalsContact C-N 3.34Å; D369-S371 PolarHBondContact O-N 2.88Å; D369-R372 VanDerWaalsContact CG-NH2 3.29Å; D369-R372 PolarHBondContact O-N 3.19Å; D369-R372 IonicContact OD1-CZ 3.99Å; D369-R372 IonicContact OD1-NH1 3.56Å; D369-R372 PolarHBondContact OD1-NH1 3.43Å; D369-R372 IonicContact OD1-NH2 2.95Å; D369-R372 PolarHBondContact OD1-NH2 2.73Å; D369-R372 IonicContact OD2-NH2 3.89Å; D369-D373 PolarHBondContact O-N 2.71Å
370V97.3Very high94Very high0 Ų032.3 Ų32.30%015%0.15CC..Hα-helixtrans-61.2-45174.7166.10000110.5W124 L142 A146 F149 F366 R372 D373 V374W124-V370 HydrophobicContact CZ2-CB 4.46Å; W124-V370 HydrophobicContact CZ2-CG1 4.14Å; L142-V370 HydrophobicContact CD2-CG1 3.57Å; A146-V370 HydrophobicContact CB-CG2 4.48Å; F149-V370 HydrophobicContact CB-CG2 4.45Å; F366-V370 HydrophobicContact CD2-CG2 3.9Å; F366-V370 HydrophobicContact CE1-CG2 4.31Å; F366-V370 HydrophobicContact CE2-CG2 3.56Å; F366-V370 HydrophobicContact CG-CG2 4.42Å; F366-V370 HydrophobicContact CZ-CG2 3.79Å; F366-V370 VanDerWaalsContact O-CB 3.3Å; F366-V370 WeakPolarHBondContact O-CB 3.45Å; F366-V370 VanDerWaalsContact O-CG2 3.26Å; F366-V370 WeakPolarHBondContact O-CG2 3.35Å; F366-V370 PolarHBondContact O-N 3.15Å; V370-R372 VanDerWaalsContact C-N 3.3Å; V370-R372 PolarHBondContact O-N 2.79Å; V370-D373 PolarHBondContact O-N 3.22Å; V370-V374 HydrophobicContact CG1-CG2 4.31Å; V370-V374 WeakPolarHBondContact O-CG2 3.32Å; V370-V374 PolarHBondContact O-N 3.16Å
371S95.8Very high93.3Very high0 Ų038.8 Ų38.80%018%0.176CC..Hα-helixtrans-61.7-39.7178.4-166.20000111.8M367 E368 D369 R375M367-S371 WeakPolarHBondContact O-CB 3.48Å; M367-S371 PolarHBondContact O-N 3Å; E368-S371 PolarHBondContact O-N 3.3Å; D369-S371 VanDerWaalsContact C-N 3.34Å; D369-S371 PolarHBondContact O-N 2.88Å; S371-R375 VanDerWaalsContact O-CG 3.31Å; S371-R375 WeakPolarHBondContact O-CG 3.26Å; S371-R375 PolarHBondContact O-N 3.02Å; S371-R375 PolarHBondContact OG-NH1 3.41Å
372R95.2Very high92Very high80 Ų8041.9 Ų41.930%0.30219%0.189SC..Hα-helixtrans-64.1-44.9174-177.8176.966.1-111.90.9112E368 D369 V370 R375 Q376E368-R372 WeakPolarHBondContact O-CB 3.11Å; E368-R372 PolarHBondContact O-N 2.84Å; D369-R372 VanDerWaalsContact CG-NH2 3.29Å; D369-R372 PolarHBondContact O-N 3.19Å; D369-R372 IonicContact OD1-CZ 3.99Å; D369-R372 IonicContact OD1-NH1 3.56Å; D369-R372 PolarHBondContact OD1-NH1 3.43Å; D369-R372 IonicContact OD1-NH2 2.95Å; D369-R372 PolarHBondContact OD1-NH2 2.73Å; D369-R372 IonicContact OD2-NH2 3.89Å; V370-R372 VanDerWaalsContact C-N 3.3Å; V370-R372 PolarHBondContact O-N 2.79Å; R372-R375 PolarHBondContact O-N 3.21Å; R372-Q376 HydrophobicContact CG-CG 4.49Å; R372-Q376 WeakPolarHBondContact O-CB 3.24Å; R372-Q376 VanDerWaalsContact O-CG 3.26Å; R372-Q376 WeakPolarHBondContact O-CG 3.48Å; R372-Q376 PolarHBondContact O-N 3.2Å; R372-Q376 VanDerWaalsContact O-N 3.1Å
373D95.6Very high90.3Very high1 Ų146 Ų461%0.00521%0.211CC..Hα-helixtrans-64.3-45.2-179.5-166.563.8000112.3L22 S145 R148 D369 V370 R375 Q376 H377 W379L22-D373 HydrophobicContact CD1-CB 3.45Å; L22-D373 VanDerWaalsContact CD1-CB 3.45Å; S145-D373 WeakPolarHBondContact CA-OD2 3.47Å; S145-D373 VanDerWaalsContact CB-OD2 3.27Å; S145-D373 WeakPolarHBondContact CB-OD2 3.49Å; S145-D373 PolarHBondContact OG-OD2 2.88Å; R148-D373 IonicContact CZ-OD1 3.77Å; R148-D373 IonicContact CZ-OD2 2.76Å; R148-D373 IonicContact NE-OD1 3.92Å; R148-D373 PolarHBondContact NE-OD1 3.14Å; R148-D373 IonicContact NE-OD2 3.52Å; R148-D373 PolarHBondContact NE-OD2 2.67Å; R148-D373 IonicContact NH2-OD1 2.83Å; R148-D373 PolarHBondContact NH2-OD1 3.29Å; D369-D373 PolarHBondContact O-N 2.71Å; V370-D373 PolarHBondContact O-N 3.22Å; D373-R375 VanDerWaalsContact C-N 3.33Å; D373-R375 PolarHBondContact O-N 3.46Å; D373-Q376 PolarHBondContact O-N 3.32Å; D373-Q376 VanDerWaalsContact O-N 3.16Å; D373-H377 PolarHBondContact O-N 2.69Å; D373-H377 PolarHBondContact O-ND1 3.29Å; D373-H377 IonicContact OD1-CE1 3.85Å; D373-H377 PolarHBondContact OD1-CE1 3.49Å; D373-H377 VanDerWaalsContact OD1-CE1 3.3Å; D373-H377 IonicContact OD1-ND1 3.51Å; D373-H377 PolarHBondContact OD1-ND1 2.92Å; D373-W379 PolarHBondContact OD2-NE1 3.1Å; D373-W379 VanDerWaalsContact OD2-NE1 3.15Å
374V94.7Very high88.4Confident3 Ų351 Ų512%0.01823%0.23CC..Hα-helixtrans-58.6-46.4177172.30000110.4F127 N141 L142 S145 V370 Q376 N378F127-V374 HydrophobicContact CB-CG1 3.87Å; F127-V374 HydrophobicContact CD1-CB 4.07Å; F127-V374 HydrophobicContact CD1-CG1 3.87Å; F127-V374 HydrophobicContact CD2-CG1 4.19Å; F127-V374 HydrophobicContact CG-CB 4.4Å; F127-V374 HydrophobicContact CG-CG1 3.7Å; N141-V374 HydrophobicContact CB-CG1 4.23Å; N141-V374 HydrophobicContact CB-CG2 4.26Å; L142-V374 HydrophobicContact CD2-CG2 4.28Å; S145-V374 WeakPolarHBondContact OG-CG2 3.41Å; V370-V374 HydrophobicContact CG1-CG2 4.31Å; V370-V374 WeakPolarHBondContact O-CG2 3.32Å; V370-V374 PolarHBondContact O-N 3.16Å; V374-Q376 VanDerWaalsContact C-N 3.29Å; V374-Q376 PolarHBondContact O-N 3.45Å; V374-N378 PolarHBondContact O-N 3.19Å; V374-N378 VanDerWaalsContact O-N 3.08Å
375R92.8Very high86.5Confident111 Ų11157.1 Ų57.142%0.41926%0.257SS..Hα-helixtrans-60.7-34.8176.9-78.1-165-64.4-87.6-5.3114.1F127 S371 R372 D373F127-R375 HydrophobicContact CB-CG 4.31Å; F127-R375 VanDerWaalsContact O-CG 3.25Å; F127-R375 WeakPolarHBondContact O-CG 3.44Å; S371-R375 VanDerWaalsContact O-CG 3.31Å; S371-R375 WeakPolarHBondContact O-CG 3.26Å; S371-R375 PolarHBondContact O-N 3.02Å; S371-R375 PolarHBondContact OG-NH1 3.41Å; R372-R375 PolarHBondContact O-N 3.21Å; D373-R375 VanDerWaalsContact C-N 3.33Å; D373-R375 PolarHBondContact O-N 3.46Å
376Q91.4Very high84.5Confident128 Ų12862.1 Ų62.160%0.59829%0.286SS*.Hα-helixtrans-85.3-40.7-173-76.2176.3-15.200112.7R372 D373 V374R372-Q376 HydrophobicContact CG-CG 4.49Å; R372-Q376 WeakPolarHBondContact O-CB 3.24Å; R372-Q376 VanDerWaalsContact O-CG 3.26Å; R372-Q376 WeakPolarHBondContact O-CG 3.48Å; R372-Q376 PolarHBondContact O-N 3.2Å; R372-Q376 VanDerWaalsContact O-N 3.1Å; D373-Q376 PolarHBondContact O-N 3.32Å; D373-Q376 VanDerWaalsContact O-N 3.16Å; V374-Q376 VanDerWaalsContact C-N 3.29Å; V374-Q376 PolarHBondContact O-N 3.45Å
377H90.6Very high82.9Confident80 Ų8063.5 Ų63.537%0.3729%0.294SS..Hα-helixtrans-108.6-35.6-168.9-61.1102.5000113.7D373 W379D373-H377 PolarHBondContact O-N 2.69Å; D373-H377 PolarHBondContact O-ND1 3.29Å; D373-H377 IonicContact OD1-CE1 3.85Å; D373-H377 PolarHBondContact OD1-CE1 3.49Å; D373-H377 VanDerWaalsContact OD1-CE1 3.3Å; D373-H377 IonicContact OD1-ND1 3.51Å; D373-H377 PolarHBondContact OD1-ND1 2.92Å; H377-W379 VanDerWaalsContact C-N 3.32Å; H377-W379 HydrophobicContact CB-CD2 3.91Å; H377-W379 VanDerWaalsContact CB-CE2 3.42Å; H377-W379 HydrophobicContact CB-CE3 4.49Å; H377-W379 HydrophobicContact CB-CG 4.31Å; H377-W379 HydrophobicContact CB-CH2 4.22Å; H377-W379 HydrophobicContact CB-CZ2 3.58Å; H377-W379 AromaticContact CD2-CH2 3.91Å; H377-W379 AromaticContact CD2-CZ2 3.73Å; H377-W379 AromaticContact CG-CE2 3.82Å; H377-W379 AromaticContact CG-CZ2 3.45Å; H377-W379 VanDerWaalsContact CG-CZ2 3.45Å; H377-W379 AromaticContact ND1-CZ2 3.92Å; H377-W379 PolarHBondContact O-N 2.94Å
378N86.5Confident81.1Confident20 Ų2068.4 Ų68.411%0.10733%0.326CS..  trans40.458.7-176.9-169.134.4000113P132 N141 V374 V380P132-N378 VanDerWaalsContact CD-ND2 3.34Å; P132-N378 WeakPolarHBondContact CD-ND2 3.48Å; P132-N378 WeakPolarHBondContact CD-OD1 3.49Å; P132-N378 WeakPolarHBondContact CG-OD1 3.3Å; N141-N378 PolarHBondContact ND2-OD1 2.92Å; V374-N378 PolarHBondContact O-N 3.19Å; V374-N378 VanDerWaalsContact O-N 3.08Å; N378-V380 CarbonylContact O-C 3.51Å; N378-V380 PolarHBondContact O-N 2.92Å; N378-V380 PolarHBondContact OD1-O 2.88Å; N378-V380 VanDerWaalsContact OD1-O 3.08Å
379W89.6Confident79.3Confident52 Ų5270.9 Ų70.920%0.19735%0.35CS..SBendtrans-48.8-27.3-168.8-62.8105.2000115.6Y19 N141 V144 P248 D373 H377Y19-W379 HydrophobicContact CD2-CD2 4.15Å; Y19-W379 AromaticContact CD2-CE3 3.69Å; Y19-W379 HydrophobicContact CD2-CE3 3.69Å; Y19-W379 AromaticContact CD2-CH2 3.86Å; Y19-W379 HydrophobicContact CD2-CH2 3.86Å; Y19-W379 HydrophobicContact CD2-CZ2 4.3Å; Y19-W379 AromaticContact CD2-CZ3 3.54Å; Y19-W379 HydrophobicContact CD2-CZ3 3.54Å; Y19-W379 HydrophobicContact CE2-CD2 4.16Å; Y19-W379 AromaticContact CE2-CE3 3.98Å; Y19-W379 HydrophobicContact CE2-CE3 3.98Å; Y19-W379 HydrophobicContact CE2-CZ3 4.3Å; Y19-W379 HydrophobicContact CG-CZ3 4.49Å; N141-W379 WeakPolarHBondContact OD1-CA 3.49Å; N141-W379 PolarHBondContact OD1-N 3.33Å; V144-W379 HydrophobicContact CB-CG 4.32Å; V144-W379 HydrophobicContact CG1-CB 4.1Å; V144-W379 HydrophobicContact CG1-CD2 4.08Å; V144-W379 HydrophobicContact CG1-CG 3.55Å; P248-W379 HydrophobicContact CB-CB 4.18Å; P248-W379 HydrophobicContact CG-CB 4.06Å; D373-W379 PolarHBondContact OD2-NE1 3.1Å; D373-W379 VanDerWaalsContact OD2-NE1 3.15Å; H377-W379 VanDerWaalsContact C-N 3.32Å; H377-W379 HydrophobicContact CB-CD2 3.91Å; H377-W379 VanDerWaalsContact CB-CE2 3.42Å; H377-W379 HydrophobicContact CB-CE3 4.49Å; H377-W379 HydrophobicContact CB-CG 4.31Å; H377-W379 HydrophobicContact CB-CH2 4.22Å; H377-W379 HydrophobicContact CB-CZ2 3.58Å; H377-W379 AromaticContact CD2-CH2 3.91Å; H377-W379 AromaticContact CD2-CZ2 3.73Å; H377-W379 AromaticContact CG-CE2 3.82Å; H377-W379 AromaticContact CG-CZ2 3.45Å; H377-W379 VanDerWaalsContact CG-CZ2 3.45Å; H377-W379 AromaticContact ND1-CZ2 3.92Å; H377-W379 PolarHBondContact O-N 2.94Å
380V88.5Confident77.9Confident12 Ų1273.2 Ų73.27%0.07336%0.361CS..  trans-121.7123.2163.9-66.30000110.3A137 T140 N141 P248 F252 N378A137-V380 HydrophobicContact CB-CG2 4.34Å; T140-V380 HydrophobicContact CG2-CB 4.42Å; T140-V380 HydrophobicContact CG2-CG1 3.86Å; T140-V380 HydrophobicContact CG2-CG2 3.61Å; N141-V380 PolarHBondContact ND2-O 2.85Å; N141-V380 VanDerWaalsContact ND2-O 3.08Å; N141-V380 PolarHBondContact OD1-N 3.32Å; P248-V380 HydrophobicContact CB-CG1 3.91Å; F252-V380 HydrophobicContact CB-CG1 4.41Å; F252-V380 HydrophobicContact CD2-CB 4.24Å; F252-V380 HydrophobicContact CD2-CG1 4.19Å; F252-V380 HydrophobicContact CD2-CG2 4.13Å; N378-V380 CarbonylContact O-C 3.51Å; N378-V380 PolarHBondContact O-N 2.92Å; N378-V380 PolarHBondContact OD1-O 2.88Å; N378-V380 VanDerWaalsContact OD1-O 3.08Å
381E75.1Confident77.1Confident151 Ų15179.2 Ų79.271%0.70640%0.397SS*.  trans-92-13.3-175.2-63-177170.500113.8
382M64.8Low76.5Confident108 Ų10881.8 Ų81.853%0.53242%0.415SS..  trans-92.4120.9-165.6-52.8179.186.700113Y384M382-Y384 HydrophobicContact CB-CD2 4.48Å; M382-Y384 HydrophobicContact CE-CD2 3.14Å; M382-Y384 HydrophobicContact CE-CE2 3.39Å; M382-Y384 HydrophobicContact CE-CG 3.99Å; M382-Y384 PolarHBondContact O-N 2.74Å; M382-Y384 HydrophobicContact SD-CD2 4.27Å
383D61.4Low76Confident87 Ų8779.2 Ų79.247%0.46541%0.409SS..  trans-75.666.4154.2-77.7-30.7000108.8P132 K133 S134 Q385P132-D383 VanDerWaalsContact CB-OD1 3.25Å; P132-D383 WeakPolarHBondContact CB-OD1 3.44Å; K133-D383 PolarHBondContact N-OD1 2.95Å; K133-D383 VanDerWaalsContact N-OD1 3.14Å; S134-D383 WeakPolarHBondContact CB-OD1 3.43Å; S134-D383 PolarHBondContact N-OD1 2.98Å; S134-D383 PolarHBondContact OG-OD1 3.25Å; D383-Q385 PolarHBondContact O-N 3.22Å
384Y56.5Low75.6Confident106 Ų10686.9 Ų86.942%0.41645%0.45SS..  trans-89.8103-173.5-145.6-99.3000111.2M382 D386 V387M382-Y384 HydrophobicContact CB-CD2 4.48Å; M382-Y384 HydrophobicContact CE-CD2 3.14Å; M382-Y384 HydrophobicContact CE-CE2 3.39Å; M382-Y384 HydrophobicContact CE-CG 3.99Å; M382-Y384 PolarHBondContact O-N 2.74Å; M382-Y384 HydrophobicContact SD-CD2 4.27Å; Y384-D386 VanDerWaalsContact C-N 3.27Å; Y384-D386 VanDerWaalsContact CD1-C 3.44Å; Y384-D386 HydrophobicContact CD1-CB 4.19Å; Y384-D386 HydrophobicContact CE1-CB 3.79Å; Y384-D386 WeakPolarHBondContact CE1-O 3.3Å; Y384-V387 HydrophobicContact CD1-CB 4.16Å; Y384-V387 HydrophobicContact CD1-CG2 3.29Å; Y384-V387 HydrophobicContact CE1-CG2 3.97Å; Y384-V387 HydrophobicContact CG-CG2 4.05Å
385Q55.4Low75.4Confident175 Ų17588 Ų8882%0.81846%0.457SS*.SBendtrans-79.4-4173.7-71.2-168.3-27.600113.8D383D383-Q385 PolarHBondContact O-N 3.22Å
386D55Low75.5Confident126 Ų12683.1 Ų83.167%0.67444%0.44SS*.  trans-125.425.8-168.3-63.9-43.3000115.1Y384 P388Y384-D386 VanDerWaalsContact C-N 3.27Å; Y384-D386 VanDerWaalsContact CD1-C 3.44Å; Y384-D386 HydrophobicContact CD1-CB 4.19Å; Y384-D386 HydrophobicContact CE1-CB 3.79Å; Y384-D386 WeakPolarHBondContact CE1-O 3.3Å; D386-P388 VanDerWaalsContact O-CD 3.26Å; D386-P388 WeakPolarHBondContact O-CD 3.34Å
387V63.7Low75.7Confident30 Ų3083 Ų8318%0.18244%0.437CS..  trans-72.2118.7175.9178.90000106.7F252 Y384 Q390F252-V387 HydrophobicContact CE1-CG2 3.83Å; F252-V387 HydrophobicContact CZ-CG2 4.48Å; Y384-V387 HydrophobicContact CD1-CB 4.16Å; Y384-V387 HydrophobicContact CD1-CG2 3.29Å; Y384-V387 HydrophobicContact CE1-CG2 3.97Å; Y384-V387 HydrophobicContact CG-CG2 4.05Å; V387-Q390 HydrophobicContact CG1-CG 4.22Å
388P60.7Low76Confident103 Ų10384.4 Ų84.467%0.66944%0.439SS*.  trans-54.4149.9-177.9-23.332.4000111.2D386 Q390D386-P388 VanDerWaalsContact O-CD 3.26Å; D386-P388 WeakPolarHBondContact O-CD 3.34Å; P388-Q390 WeakPolarHBondContact O-CG 3.22Å; P388-Q390 PolarHBondContact O-N 2.89Å
389S57.9Low76.5Confident111 Ų11184.4 Ų84.478%0.77644%0.439SS*.  trans-46.9114.5173.4-179.70000110.1
390Q68Low76.7Confident53 Ų5386.9 Ų86.925%0.24845%0.453CS..PPolyproline II helixtrans-88.7151.6-178.6-65.1-179.9-18.100110.2S253 Y257 V387 P388S253-Q390 PolarHBondContact O-OE1 2.94Å; S253-Q390 PolarHBondContact OG-NE2 2.72Å; S253-Q390 PolarHBondContact OG-OE1 2.78Å; Y257-Q390 WeakPolarHBondContact CD2-O 3.47Å; V387-Q390 HydrophobicContact CG1-CG 4.22Å; P388-Q390 WeakPolarHBondContact O-CG 3.22Å; P388-Q390 PolarHBondContact O-N 2.89Å
391T79.3Confident77.1Confident126 Ų12687 Ų8777%0.77345%0.453SS*.PPolyproline II helixtrans-58.3144.3161.947.70000109.2P393T391-P393 WeakPolarHBondContact O-CD 3.41Å; T391-P393 VanDerWaalsContact O-N 3.07Å
392C82.9Confident78.2Confident55 Ų5585.4 Ų85.437%0.37244%0.444SS..PPolyproline II helixtrans-52.3117.7176.4-174.30000109.5Y257Y257-C392 HydrophobicContact CD2-CB 4.44Å; Y257-C392 HydrophobicContact CE1-CB 3.93Å; Y257-C392 VanDerWaalsContact CE1-SG 3.55Å; Y257-C392 HydrophobicContact CE2-CB 3.8Å
393P85.5Confident79.7Confident25 Ų2582.1 Ų82.116%0.16243%0.428CS..PPolyproline II helixtrans-63.2144.3175.9-22.835.6000110.3T391 C395 V396T391-P393 WeakPolarHBondContact O-CD 3.41Å; T391-P393 VanDerWaalsContact O-N 3.07Å; P393-C395 PolarHBondContact O-N 3.24Å; P393-C395 VanDerWaalsContact O-N 3.09Å; P393-V396 HydrophobicContact CB-CG2 4.13Å; P393-V396 HydrophobicContact CG-CG2 4.24Å; P393-V396 WeakPolarHBondContact O-CB 3.37Å; P393-V396 PolarHBondContact O-N 3.32Å
394D87.3Confident81.4Confident163 Ų16381.1 Ų81.187%0.87242%0.423SS*.THydrogen-bonded Turntrans-59-26.3-176.4-69.1-25.6000113.3V396D394-V396 VanDerWaalsContact C-N 3.26Å; D394-V396 PolarHBondContact O-N 3.41Å
395C90Very high83.4Confident25 Ų2583.4 Ų83.417%0.16944%0.435CS..THydrogen-bonded Turntrans-75.7-11177.459.90000113.6I236 D237 S254 P393I236-C395 VanDerWaalsContact CA-O 3.3Å; I236-C395 WeakPolarHBondContact CA-O 3.49Å; D237-C395 HydrophobicContact CB-CB 4.23Å; D237-C395 PolarHBondContact N-O 2.94Å; S254-C395 PolarHBondContact OG-SG 3.25Å; P393-C395 PolarHBondContact O-N 3.24Å; P393-C395 VanDerWaalsContact O-N 3.09Å
396V96Very high85.4Confident10 Ų1078.4 Ų78.46%0.06142%0.418CS..EExtended strand (participates in β ladder)trans-97.4126.3-179.8-174.40000110.7Y234 S235 I236 S254 Y257 I258 P393 D394Y234-V396 HydrophobicContact CD1-CG1 4.28Å; S235-V396 WeakPolarHBondContact O-CA 3.4Å; I236-V396 HydrophobicContact CG1-CG2 4.23Å; S254-V396 VanDerWaalsContact CB-CG2 3.5Å; Y257-V396 HydrophobicContact CD1-CG1 4.22Å; Y257-V396 HydrophobicContact CE1-CG1 4.38Å; I258-V396 HydrophobicContact CD1-CG1 4.22Å; I258-V396 HydrophobicContact CG1-CG1 4.26Å; P393-V396 HydrophobicContact CB-CG2 4.13Å; P393-V396 HydrophobicContact CG-CG2 4.24Å; P393-V396 WeakPolarHBondContact O-CB 3.37Å; P393-V396 PolarHBondContact O-N 3.32Å; D394-V396 VanDerWaalsContact C-N 3.26Å; D394-V396 PolarHBondContact O-N 3.41Å
397K96.1Very high87.5Confident124 Ų12472.5 Ų72.554%0.53939%0.386SS..EExtended strand (participates in β ladder)trans-129128.4172.3-60.6-176.6-179.9-176.20110.5Y234 S235Y234-K397 CarbonylContact C-O 3.51Å; Y234-K397 VanDerWaalsContact CA-O 3.26Å; Y234-K397 WeakPolarHBondContact CA-O 3.31Å; S235-K397 PolarHBondContact N-O 2.79Å; S235-K397 PolarHBondContact O-N 2.87Å
398R95.3Very high89.1Confident111 Ų11174.2 Ų74.242%0.41939%0.392SS..EExtended strand (participates in β ladder)trans-75.6134.6169.5-176.2171.3168.8178-7.2109.4Y234 E400Y234-R398 HydrophobicContact CD1-CB 4.04Å; Y234-R398 HydrophobicContact CD1-CG 4.37Å; Y234-R398 HydrophobicContact CE1-CB 3.98Å; Y234-R398 HydrophobicContact CE1-CG 4.02Å; R398-E400 IonicContact CZ-OE1 2.77Å; R398-E400 IonicContact NE-OE1 3.24Å; R398-E400 PolarHBondContact NE-OE1 2.73Å; R398-E400 IonicContact NH2-OE1 2.64Å; R398-E400 PolarHBondContact NH2-OE1 3.47Å
399L96.6Very high90.9Very high19 Ų1974.7 Ų74.710%0.09939%0.385CS..EExtended strand (participates in β ladder)trans-106118.5-179.3-52.7-178.9000109.1I226 F233 K300 I301I226-L399 HydrophobicContact CD1-CD1 3.83Å; F233-L399 HydrophobicContact CB-CB 3.93Å; F233-L399 HydrophobicContact CB-CD1 4.43Å; F233-L399 PolarHBondContact O-N 3.3Å; K300-L399 HydrophobicContact CB-CD1 4.2Å; K300-L399 HydrophobicContact CB-CD2 4.42Å; K300-L399 HydrophobicContact CG-CD1 4.02Å; K300-L399 HydrophobicContact CG-CD2 4.04Å; I301-L399 HydrophobicContact CG1-CD1 3.84Å
400E95.1Very high92.8Very high105 Ų10569.7 Ų69.749%0.49135%0.351SS..  trans-103.9139.4176.4-68.9-63.5151.900109.8S297 R398S297-E400 WeakPolarHBondContact CB-O 3.32Å; S297-E400 PolarHBondContact OG-O 3.34Å; R398-E400 IonicContact CZ-OE1 2.77Å; R398-E400 IonicContact NE-OE1 3.24Å; R398-E400 PolarHBondContact NE-OE1 2.73Å; R398-E400 IonicContact NH2-OE1 2.64Å; R398-E400 PolarHBondContact NH2-OE1 3.47Å
401I97Very high94.2Very high15 Ų1567.3 Ų67.38%0.07734%0.34CS..  trans-126.1119.7172.4-62.4169.1000106.3I270 L288 N294 L298 I301 L403I270-I401 HydrophobicContact CD1-CB 3.35Å; I270-I401 HydrophobicContact CD1-CD1 3.94Å; I270-I401 HydrophobicContact CD1-CG1 4.19Å; I270-I401 HydrophobicContact CD1-CG2 3.55Å; I270-I401 HydrophobicContact CG2-CD1 4.01Å; L288-I401 HydrophobicContact CD2-CG2 4Å; N294-I401 HydrophobicContact CB-CG2 4.49Å; N294-I401 WeakPolarHBondContact OD1-CA 3.5Å; L298-I401 HydrophobicContact CD2-CD1 3.93Å; L298-I401 HydrophobicContact CG-CD1 4.46Å; I301-I401 HydrophobicContact CD1-CD1 3.77Å; I401-L403 HydrophobicContact CG2-CD2 4.5Å
402K97.4Very high95.1Very high117 Ų11767.7 Ų67.751%0.50933%0.331SS..  trans-74.2139.7179.4-59.8175.6-170.6166.10109.6I291 E292 N294I291-K402 HydrophobicContact CG2-CB 3.79Å; I291-K402 HydrophobicContact CG2-CD 4.32Å; E292-K402 PolarHBondContact O-NZ 3.27Å; N294-K402 PolarHBondContact ND2-O 2.97Å; N294-K402 PolarHBondContact OD1-N 3.25Å
403L97.8Very high95.8Very high38 Ų3870.2 Ų70.220%0.19933%0.332CS..  trans-121.4153.6176.6-57.1173.3000109.2H268 I270 F273 L288 I401 L407 E408 I411H268-L403 HydrophobicContact CB-CD1 3.46Å; H268-L403 VanDerWaalsContact CB-CD1 3.46Å; I270-L403 HydrophobicContact CD1-CD1 4.29Å; I270-L403 HydrophobicContact CD1-CD2 4.03Å; I270-L403 HydrophobicContact CD1-CG 4.3Å; I270-L403 HydrophobicContact CG1-CD1 4.23Å; I270-L403 HydrophobicContact CG1-CD2 4.26Å; F273-L403 HydrophobicContact CE2-CD2 4.48Å; L288-L403 HydrophobicContact CD2-CD2 3.61Å; I401-L403 HydrophobicContact CG2-CD2 4.5Å; L403-L407 HydrophobicContact CB-CB 4.3Å; L403-L407 HydrophobicContact CD2-CB 4.04Å; L403-L407 HydrophobicContact CD2-CD1 4.3Å; L403-E408 HydrophobicContact CB-CG 3.95Å; L403-E408 HydrophobicContact CD1-CG 4.3Å; L403-I411 HydrophobicContact CD1-CD1 3.52Å; L403-I411 HydrophobicContact CD2-CD1 4.28Å
404N97.1Very high96.4Very high66 Ų6669.1 Ų69.135%0.35333%0.325SS..  trans-105.8168.7163.962.320.7000108.7P406 L407 E408N404-P406 WeakPolarHBondContact OD1-CD 3.37Å; N404-L407 PolarHBondContact O-N 3.12Å; N404-L407 WeakPolarHBondContact OD1-CB 3.46Å; N404-L407 WeakPolarHBondContact OD1-CD1 3.45Å; N404-L407 VanDerWaalsContact OD1-CG 3.22Å; N404-L407 WeakPolarHBondContact OD1-CG 3.27Å; N404-L407 PolarHBondContact OD1-N 3.14Å; N404-L407 VanDerWaalsContact OD1-N 3.09Å; N404-E408 WeakPolarHBondContact O-CG 3.43Å; N404-E408 PolarHBondContact O-N 3.33Å
405K97.6Very high97Very high154 Ų15466.2 Ų66.267%0.6731%0.305SS*.Hα-helixtrans-52.1-44.9-178.6-64.2-178.2178-177.10114L407 E408 E409K405-L407 VanDerWaalsContact C-N 3.3Å; K405-L407 PolarHBondContact O-N 2.99Å; K405-E408 WeakPolarHBondContact O-CB 3.32Å; K405-E408 PolarHBondContact O-N 3.18Å; K405-E409 WeakPolarHBondContact O-CG 3.32Å; K405-E409 PolarHBondContact O-N 2.79Å
406P97.7Very high97.3Very high71 Ų7170 Ų7046%0.46132%0.32SS..Hα-helixtrans-56.4-39.9175.3-28.434.9000114.4N404 A410N404-P406 WeakPolarHBondContact OD1-CD 3.37Å; P406-A410 WeakPolarHBondContact O-CB 3.18Å; P406-A410 PolarHBondContact O-N 2.82Å
407L98.2Very high97.4Very high1 Ų175 Ų751%0.00534%0.343CS..Hα-helixtrans-72.6-37.9177.8-69.9166.8000112F273 I284 Q287 L288 I291 L403 N404 K405 E409 A410 I411F273-L407 HydrophobicContact CZ-CB 4.46Å; F273-L407 HydrophobicContact CZ-CD2 4.16Å; I284-L407 HydrophobicContact CG2-CD2 3.8Å; Q287-L407 HydrophobicContact CB-CD2 4.26Å; L288-L407 HydrophobicContact CD2-CD1 3.76Å; L288-L407 HydrophobicContact CD2-CD2 4.34Å; L288-L407 HydrophobicContact CG-CD1 4.4Å; L288-L407 HydrophobicContact CG-CD2 4.38Å; I291-L407 HydrophobicContact CD1-CD1 3.51Å; L403-L407 HydrophobicContact CB-CB 4.3Å; L403-L407 HydrophobicContact CD2-CB 4.04Å; L403-L407 HydrophobicContact CD2-CD1 4.3Å; N404-L407 PolarHBondContact O-N 3.12Å; N404-L407 WeakPolarHBondContact OD1-CB 3.46Å; N404-L407 WeakPolarHBondContact OD1-CD1 3.45Å; N404-L407 VanDerWaalsContact OD1-CG 3.22Å; N404-L407 WeakPolarHBondContact OD1-CG 3.27Å; N404-L407 PolarHBondContact OD1-N 3.14Å; N404-L407 VanDerWaalsContact OD1-N 3.09Å; K405-L407 VanDerWaalsContact C-N 3.3Å; K405-L407 PolarHBondContact O-N 2.99Å; L407-E409 VanDerWaalsContact C-N 3.33Å; L407-E409 PolarHBondContact O-N 2.79Å; L407-A410 PolarHBondContact O-N 2.89Å; L407-I411 WeakPolarHBondContact O-CG1 3.24Å; L407-I411 PolarHBondContact O-N 3.09Å
408E98.2Very high97.5Very high66 Ų6669.2 Ų69.231%0.30832%0.318SS..Hα-helixtrans-59.6-44.1173.5-69169.8-175.800111.5L403 N404 K405 I411 K412L403-E408 HydrophobicContact CB-CG 3.95Å; L403-E408 HydrophobicContact CD1-CG 4.3Å; N404-E408 WeakPolarHBondContact O-CG 3.43Å; N404-E408 PolarHBondContact O-N 3.33Å; K405-E408 WeakPolarHBondContact O-CB 3.32Å; K405-E408 PolarHBondContact O-N 3.18Å; E408-I411 PolarHBondContact O-N 2.88Å; E408-K412 PolarHBondContact O-N 3.15Å
409E97.9Very high97.6Very high114 Ų11466.5 Ų66.553%0.53331%0.313SS..Hα-helixtrans-66.2-38.5174.8-70.2174.5-179.300112.2K405 L407 I411 K412 R413K405-E409 WeakPolarHBondContact O-CG 3.32Å; K405-E409 PolarHBondContact O-N 2.79Å; L407-E409 VanDerWaalsContact C-N 3.33Å; L407-E409 PolarHBondContact O-N 2.79Å; E409-I411 VanDerWaalsContact C-N 3.33Å; E409-I411 PolarHBondContact O-N 2.98Å; E409-K412 WeakPolarHBondContact O-CB 3.18Å; E409-K412 PolarHBondContact O-N 3.3Å; E409-R413 PolarHBondContact O-N 3.07Å
410A98.1Very high97.7Very high6 Ų670 Ų705%0.0534%0.336CS..Hα-helixtrans-62.2-39.7175.200000111.9F273 I284 P406 L407 K412 R413 A414F273-A410 HydrophobicContact CE1-CB 3.92Å; F273-A410 HydrophobicContact CZ-CB 4.42Å; I284-A410 HydrophobicContact CD1-CB 4.21Å; P406-A410 WeakPolarHBondContact O-CB 3.18Å; P406-A410 PolarHBondContact O-N 2.82Å; L407-A410 PolarHBondContact O-N 2.89Å; A410-K412 VanDerWaalsContact C-N 3.33Å; A410-K412 PolarHBondContact O-N 3.2Å; A410-R413 PolarHBondContact O-N 3.33Å; A410-A414 WeakPolarHBondContact O-CB 3.43Å; A410-A414 PolarHBondContact O-N 3.44Å
411I98.2Very high97.8Very high3 Ų367.6 Ų67.62%0.01532%0.322CS..Hα-helixtrans-62.9-41.7174.3-69.8172.1000110.9H268 I270 L272 F273 L403 L407 E408 E409 A414 K415H268-I411 HydrophobicContact CB-CD1 3.8Å; H268-I411 HydrophobicContact CB-CG2 4.41Å; I270-I411 HydrophobicContact CG1-CD1 3.98Å; L272-I411 HydrophobicContact CD1-CG2 3.89Å; F273-I411 HydrophobicContact CD1-CG1 4.08Å; F273-I411 HydrophobicContact CD2-CG1 4.37Å; F273-I411 HydrophobicContact CE1-CB 4.37Å; F273-I411 HydrophobicContact CE1-CD1 4.32Å; F273-I411 HydrophobicContact CE1-CG1 3.35Å; F273-I411 HydrophobicContact CE2-CD1 3.75Å; F273-I411 HydrophobicContact CE2-CG1 3.68Å; F273-I411 HydrophobicContact CZ-CB 4.46Å; F273-I411 HydrophobicContact CZ-CD1 3.66Å; F273-I411 HydrophobicContact CZ-CG1 3.15Å; L403-I411 HydrophobicContact CD1-CD1 3.52Å; L403-I411 HydrophobicContact CD2-CD1 4.28Å; L407-I411 WeakPolarHBondContact O-CG1 3.24Å; L407-I411 PolarHBondContact O-N 3.09Å; E408-I411 PolarHBondContact O-N 2.88Å; E409-I411 VanDerWaalsContact C-N 3.33Å; E409-I411 PolarHBondContact O-N 2.98Å; I411-A414 PolarHBondContact O-N 3.07Å; I411-K415 WeakPolarHBondContact O-CB 3.49Å; I411-K415 PolarHBondContact O-N 2.82Å
412K97.7Very high97.8Very high133 Ų13367.5 Ų67.558%0.57832%0.323SS*.Hα-helixtrans-60.8-47.7177.3-174.7-177172.4-171.60111.4E408 E409 A410 K415 E416E408-K412 PolarHBondContact O-N 3.15Å; E409-K412 WeakPolarHBondContact O-CB 3.18Å; E409-K412 PolarHBondContact O-N 3.3Å; A410-K412 VanDerWaalsContact C-N 3.33Å; A410-K412 PolarHBondContact O-N 3.2Å; K412-K415 WeakPolarHBondContact O-CB 3.44Å; K412-K415 PolarHBondContact O-N 3.49Å; K412-E416 WeakPolarHBondContact CE-OE1 3.34Å; K412-E416 WeakPolarHBondContact O-CG 3.44Å; K412-E416 PolarHBondContact O-N 3.1Å; K412-E416 VanDerWaalsContact O-N 3.12Å
413R97.9Very high97.8Very high109 Ų10968.8 Ų68.841%0.41133%0.331SS..Hα-helixtrans-60.9-47.6175.7-68.8-169.8-58.9-85.60.7111.9E409 A410 K415 E416 E417E409-R413 PolarHBondContact O-N 3.07Å; A410-R413 PolarHBondContact O-N 3.33Å; R413-K415 PolarHBondContact O-N 3.02Å; R413-E416 PolarHBondContact O-N 3.06Å; R413-E416 VanDerWaalsContact O-N 3.11Å; R413-E417 WeakPolarHBondContact O-CG 3.22Å; R413-E417 PolarHBondContact O-N 3.3Å
414A98.3Very high97.7Very high2 Ų268.4 Ų68.42%0.01733%0.331CS..Hα-helixtrans-55-41.3176.700000111.7L272 L276 A410 I411 Y418L272-A414 HydrophobicContact CB-CB 4.28Å; L276-A414 HydrophobicContact CD2-CB 3.68Å; L276-A414 HydrophobicContact CG-CB 4.25Å; A410-A414 WeakPolarHBondContact O-CB 3.43Å; A410-A414 PolarHBondContact O-N 3.44Å; I411-A414 PolarHBondContact O-N 3.07Å; A414-Y418 WeakPolarHBondContact O-CB 3.43Å; A414-Y418 PolarHBondContact O-N 3.39Å
415K98.2Very high97.8Very high101 Ų10165.3 Ų65.344%0.43931%0.314SS..Hα-helixtrans-62.6-48.2176.5-166174.8179.6176.30112.4L272 I411 K412 R413 T419L272-K415 HydrophobicContact CD1-CB 3.58Å; L272-K415 HydrophobicContact CD1-CD 4.31Å; L272-K415 HydrophobicContact CD1-CG 3.93Å; I411-K415 WeakPolarHBondContact O-CB 3.49Å; I411-K415 PolarHBondContact O-N 2.82Å; K412-K415 WeakPolarHBondContact O-CB 3.44Å; K412-K415 PolarHBondContact O-N 3.49Å; R413-K415 PolarHBondContact O-N 3.02Å; K415-T419 VanDerWaalsContact O-CB 3.26Å; K415-T419 WeakPolarHBondContact O-CB 3.26Å; K415-T419 PolarHBondContact O-N 3.02Å; K415-T419 PolarHBondContact O-OG1 2.79Å
416E97.8Very high97.7Very high106 Ų10659.3 Ų59.350%0.49529%0.29SS..Hα-helixtrans-64.6-46.6-177.7-71.1170.5-175.100111.2K412 R413 T420K412-E416 WeakPolarHBondContact CE-OE1 3.34Å; K412-E416 WeakPolarHBondContact O-CG 3.44Å; K412-E416 PolarHBondContact O-N 3.1Å; K412-E416 VanDerWaalsContact O-N 3.12Å; R413-E416 PolarHBondContact O-N 3.06Å; R413-E416 VanDerWaalsContact O-N 3.11Å; E416-T420 PolarHBondContact O-N 2.95Å; E416-T420 VanDerWaalsContact O-N 3.07Å; E416-T420 PolarHBondContact O-OG1 3.35Å
417E97.2Very high97.7Very high113 Ų11355.9 Ų55.953%0.52827%0.268SS..Hα-helixtrans-64.4-46.5177.4-69.7177.7-167.300111.8R413 T419 T420 W421R413-E417 WeakPolarHBondContact O-CG 3.22Å; R413-E417 PolarHBondContact O-N 3.3Å; E417-T419 PolarHBondContact O-N 2.97Å; E417-T420 PolarHBondContact O-N 3.01Å; E417-W421 WeakPolarHBondContact O-CB 3.47Å; E417-W421 PolarHBondContact O-N 2.95Å
418Y98.2Very high97.7Very high3 Ų358.4 Ų58.41%0.01228%0.279CS..Hα-helixtrans-65-41.3179.5-170.4-113.7000112P115 L272 T275 H327 F335 A414 T420 W421 C422P115-Y418 HydrophobicContact CB-CE2 4.14Å; P115-Y418 WeakPolarHBondContact CB-OH 3.13Å; P115-Y418 HydrophobicContact CG-CE2 3.66Å; L272-Y418 HydrophobicContact CD2-CD1 4.33Å; T275-Y418 VanDerWaalsContact CB-CD2 3.42Å; T275-Y418 HydrophobicContact CG2-CD1 4.12Å; T275-Y418 HydrophobicContact CG2-CD2 3.82Å; T275-Y418 HydrophobicContact CG2-CE1 3.97Å; T275-Y418 HydrophobicContact CG2-CE2 3.66Å; T275-Y418 HydrophobicContact CG2-CG 4.03Å; H327-Y418 WeakPolarHBondContact CA-OH 3.28Å; H327-Y418 VanDerWaalsContact CB-OH 3.31Å; H327-Y418 WeakPolarHBondContact CB-OH 3.38Å; H327-Y418 PolarHBondContact O-OH 2.9Å; F335-Y418 WeakPolarHBondContact CZ-OH 3.4Å; A414-Y418 WeakPolarHBondContact O-CB 3.43Å; A414-Y418 PolarHBondContact O-N 3.39Å; Y418-T420 VanDerWaalsContact C-N 3.33Å; Y418-T420 PolarHBondContact O-N 2.9Å; Y418-W421 AromaticContact CD2-CE3 3.78Å; Y418-W421 HydrophobicContact CD2-CE3 3.78Å; Y418-W421 HydrophobicContact CD2-CZ3 4.16Å; Y418-W421 HydrophobicContact CE2-CE3 4.02Å; Y418-W421 HydrophobicContact CE2-CZ3 4.07Å; Y418-W421 PolarHBondContact O-N 3.43Å; Y418-C422 VanDerWaalsContact CE1-SG 3.54Å; Y418-C422 WeakPolarHBondContact O-CB 3.25Å; Y418-C422 PolarHBondContact O-N 3.27Å; Y418-C422 PolarHBondContact O-SG 3.28Å; Y418-C422 VanDerWaalsContact O-SG 3.34Å
419T97.9Very high97.6Very high54 Ų5457.2 Ų57.233%0.33128%0.278SS..Hα-helixtrans-58.8-46.9175.1-60.10000110.8K415 E417 W421 C422 Q423K415-T419 VanDerWaalsContact O-CB 3.26Å; K415-T419 WeakPolarHBondContact O-CB 3.26Å; K415-T419 PolarHBondContact O-N 3.02Å; K415-T419 PolarHBondContact O-OG1 2.79Å; E417-T419 PolarHBondContact O-N 2.97Å; T419-W421 VanDerWaalsContact C-N 3.33Å; T419-W421 PolarHBondContact O-N 3.06Å; T419-C422 PolarHBondContact O-N 2.79Å; T419-Q423 WeakPolarHBondContact O-CB 3.12Å; T419-Q423 VanDerWaalsContact O-CG 3.27Å; T419-Q423 WeakPolarHBondContact O-CG 3.41Å; T419-Q423 PolarHBondContact O-N 3.34Å
420T97.5Very high97.5Very high93 Ų9352.4 Ų52.457%0.57126%0.256SS*.Hα-helixtrans-61.6-42.7177.6-56.70000111.3E416 E417 Y418 Q423 S424E416-T420 PolarHBondContact O-N 2.95Å; E416-T420 VanDerWaalsContact O-N 3.07Å; E416-T420 PolarHBondContact O-OG1 3.35Å; E417-T420 PolarHBondContact O-N 3.01Å; Y418-T420 VanDerWaalsContact C-N 3.33Å; Y418-T420 PolarHBondContact O-N 2.9Å; T420-Q423 PolarHBondContact O-N 3.3Å; T420-S424 PolarHBondContact O-N 2.98Å; T420-S424 VanDerWaalsContact O-N 3.07Å
421W97.4Very high97.4Very high54 Ų5456.1 Ų56.121%0.20527%0.274CS..Hα-helixtrans-65.9-45.5178.3-178.725.9000112.1A113 P115 I116 N117 E417 Y418 T419 Q423 S424 L425 Y612A113-W421 HydrophobicContact CB-CH2 3.62Å; A113-W421 HydrophobicContact CB-CZ3 3.56Å; P115-W421 HydrophobicContact CG-CH2 4.48Å; P115-W421 HydrophobicContact CG-CZ3 4.23Å; P115-W421 WeakPolarHBondContact O-CH2 3.49Å; I116-W421 HydrophobicContact CB-CH2 4.38Å; I116-W421 HydrophobicContact CB-CZ2 3.95Å; I116-W421 HydrophobicContact CD1-CD2 4.26Å; I116-W421 HydrophobicContact CD1-CZ2 4.1Å; I116-W421 HydrophobicContact CG2-CZ2 4.38Å; N117-W421 WeakPolarHBondContact ND2-CH2 3.49Å; N117-W421 VanDerWaalsContact ND2-CZ2 3.3Å; N117-W421 WeakPolarHBondContact ND2-CZ2 3.12Å; E417-W421 WeakPolarHBondContact O-CB 3.47Å; E417-W421 PolarHBondContact O-N 2.95Å; Y418-W421 AromaticContact CD2-CE3 3.78Å; Y418-W421 HydrophobicContact CD2-CE3 3.78Å; Y418-W421 HydrophobicContact CD2-CZ3 4.16Å; Y418-W421 HydrophobicContact CE2-CE3 4.02Å; Y418-W421 HydrophobicContact CE2-CZ3 4.07Å; Y418-W421 PolarHBondContact O-N 3.43Å; T419-W421 VanDerWaalsContact C-N 3.33Å; T419-W421 PolarHBondContact O-N 3.06Å; W421-Q423 VanDerWaalsContact C-N 3.29Å; W421-Q423 PolarHBondContact O-N 3.36Å; W421-S424 WeakPolarHBondContact O-CB 3.46Å; W421-S424 PolarHBondContact O-N 3.14Å; W421-S424 PolarHBondContact O-OG 3.39Å; W421-L425 PolarHBondContact O-N 2.97Å; W421-Y612 AromaticContact CD1-CE1 3.8Å; W421-Y612 AromaticContact NE1-CE1 3.39Å; W421-Y612 AromaticContact NE1-CZ 3.61Å; W421-Y612 PolarHBondContact NE1-OH 3.42Å
422C97.5Very high97.3Very high13 Ų1356.1 Ų56.19%0.08827%0.274CS..Hα-helixtrans-59.8-38.4174.3-710000112.3H327 Y418 T419 S424 L425H327-C422 PolarHBondContact ND1-SG 2.91Å; H327-C422 VanDerWaalsContact ND1-SG 3.37Å; Y418-C422 VanDerWaalsContact CE1-SG 3.54Å; Y418-C422 WeakPolarHBondContact O-CB 3.25Å; Y418-C422 PolarHBondContact O-N 3.27Å; Y418-C422 PolarHBondContact O-SG 3.28Å; Y418-C422 VanDerWaalsContact O-SG 3.34Å; T419-C422 PolarHBondContact O-N 2.79Å; C422-S424 VanDerWaalsContact C-N 3.27Å; C422-S424 PolarHBondContact O-N 2.91Å; C422-L425 PolarHBondContact O-N 3.16Å
423Q96.6Very high97.2Very high144 Ų14453.2 Ų53.267%0.67327%0.268SS*.Hα-helixtrans-68-26175.5-72.9171.6-7.200113.1T419 T420 W421 L425T419-Q423 WeakPolarHBondContact O-CB 3.12Å; T419-Q423 VanDerWaalsContact O-CG 3.27Å; T419-Q423 WeakPolarHBondContact O-CG 3.41Å; T419-Q423 PolarHBondContact O-N 3.34Å; T420-Q423 PolarHBondContact O-N 3.3Å; W421-Q423 VanDerWaalsContact C-N 3.29Å; W421-Q423 PolarHBondContact O-N 3.36Å; Q423-L425 PolarHBondContact O-N 2.86Å
424S96.9Very high97.1Very high30 Ų3051.5 Ų51.521%0.2127%0.265CS..THydrogen-bonded Turntrans-74.8-10.6174.681.30000113.6T420 W421 C422 Y612 T613T420-S424 PolarHBondContact O-N 2.98Å; T420-S424 VanDerWaalsContact O-N 3.07Å; W421-S424 WeakPolarHBondContact O-CB 3.46Å; W421-S424 PolarHBondContact O-N 3.14Å; W421-S424 PolarHBondContact O-OG 3.39Å; C422-S424 VanDerWaalsContact C-N 3.27Å; C422-S424 PolarHBondContact O-N 2.91Å; S424-Y612 CarbonylContact O-C 3.45Å; S424-Y612 WeakPolarHBondContact O-CA 3.42Å; S424-T613 PolarHBondContact O-N 3.06Å; S424-T613 PolarHBondContact O-OG1 3.42Å; S424-T613 VanDerWaalsContact O-OG1 3.1Å
425L97.9Very high97Very high1 Ų151.4 Ų51.41%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-100.7122.2179.3-172.575.2000110.6I116 K323 L326 W421 C422 Q423 P588 Y612I116-L425 HydrophobicContact CD1-CD2 4.01Å; I116-L425 HydrophobicContact CG1-CD2 4.05Å; I116-L425 HydrophobicContact CG2-CD1 4.24Å; I116-L425 HydrophobicContact CG2-CD2 3.91Å; K323-L425 PolarHBondContact NZ-O 3.17Å; L326-L425 HydrophobicContact CD2-CD2 3.77Å; W421-L425 PolarHBondContact O-N 2.97Å; C422-L425 PolarHBondContact O-N 3.16Å; Q423-L425 PolarHBondContact O-N 2.86Å; L425-P588 HydrophobicContact CD1-CG 4.38Å; L425-Y612 HydrophobicContact CB-CE1 4.44Å; L425-Y612 HydrophobicContact CD1-CD1 4.13Å; L425-Y612 HydrophobicContact CD1-CE1 4.02Å
426D97.4Very high96.9Very high28 Ų2848 Ų4815%0.1525%0.251CS..EExtended strand (participates in β ladder)trans-93.6148.3165.7-159.215000110.9K323 K428 T610 A611 T613 L618K323-D426 IonicContact NZ-OD1 3.95Å; D426-K428 WeakPolarHBondContact OD1-CE 3.44Å; D426-K428 WeakPolarHBondContact OD2-CE 3.46Å; D426-K428 IonicContact OD2-NZ 3.39Å; D426-T610 VanDerWaalsContact O-CA 3.29Å; D426-T610 WeakPolarHBondContact O-CA 3.44Å; D426-A611 PolarHBondContact N-O 3.4Å; D426-A611 PolarHBondContact O-N 2.94Å; D426-A611 VanDerWaalsContact O-N 3.14Å; D426-T613 HydrophobicContact CB-CG2 3.91Å; D426-L618 HydrophobicContact CB-CB 4.08Å; D426-L618 HydrophobicContact CB-CD2 3.85Å; D426-L618 WeakPolarHBondContact O-CD2 3.47Å; D426-L618 WeakPolarHBondContact OD2-CB 3.43Å
427L97.6Very high96.8Very high0 Ų045.4 Ų45.40%024%0.237CC..EExtended strand (participates in β ladder)trans-139131.9176.7-175.9152.8000107.8T319 K323 L326 I608 L609 T610T319-L427 HydrophobicContact CG2-CD2 4.3Å; T319-L427 WeakPolarHBondContact CG2-O 3.46Å; T319-L427 PolarHBondContact OG1-O 3.15Å; K323-L427 HydrophobicContact CG-CB 3.94Å; K323-L427 HydrophobicContact CG-CD1 4.34Å; L326-L427 HydrophobicContact CD2-CD1 4.27Å; L427-I608 HydrophobicContact CD1-CG2 3.99Å; L427-I608 HydrophobicContact CD2-CG2 4.05Å; L427-I608 HydrophobicContact CG-CG2 3.94Å; L427-L609 CarbonylContact C-O 3.57Å; L427-L609 VanDerWaalsContact CA-O 3.28Å; L427-L609 WeakPolarHBondContact CA-O 3.46Å; L427-T610 HydrophobicContact CB-CG2 4.2Å; L427-T610 HydrophobicContact CD1-CG2 3.83Å; L427-T610 HydrophobicContact CG-CG2 3.94Å
428K97.3Very high96.7Very high53 Ų5344 Ų4423%0.2324%0.236CC..EExtended strand (participates in β ladder)trans-137.9154.9179.2-61.6-70.71701380110.2D426 L609 L618 D619 V622D426-K428 WeakPolarHBondContact OD1-CE 3.44Å; D426-K428 WeakPolarHBondContact OD2-CE 3.46Å; D426-K428 IonicContact OD2-NZ 3.39Å; K428-L609 PolarHBondContact N-O 2.99Å; K428-L609 PolarHBondContact O-N 2.84Å; K428-L618 HydrophobicContact CB-CD2 3.99Å; K428-L618 HydrophobicContact CB-CG 4.22Å; K428-L618 HydrophobicContact CG-CB 4.45Å; K428-L618 HydrophobicContact CG-CD2 3.63Å; K428-L618 HydrophobicContact CG-CG 3.81Å; K428-D619 WeakPolarHBondContact CE-OD1 3.16Å; K428-D619 IonicContact NZ-OD1 3.81Å; K428-D619 PolarHBondContact NZ-OD1 3.46Å; K428-D619 IonicContact NZ-OD2 2.94Å; K428-D619 PolarHBondContact NZ-OD2 2.92Å; K428-V622 HydrophobicContact CB-CG2 3.76Å; K428-V622 HydrophobicContact CG-CG2 4.31Å
429S95.7Very high96.7Very high42 Ų4245.7 Ų45.729%0.29424%0.242SC..EExtended strand (participates in β ladder)trans-113.2140.7173.561.20000111.1C607S429-C607 CarbonylContact C-O 3.6Å; S429-C607 VanDerWaalsContact CA-O 3.25Å; S429-C607 WeakPolarHBondContact CA-O 3.44Å
430L96.6Very high96.7Very high13 Ų1343.1 Ų43.17%0.06823%0.227CC..EExtended strand (participates in β ladder)trans-121.1125.2166.917762.9000108.6M432 G606 C607 L609 V622 L625 K626 L629L430-M432 HydrophobicContact CD1-CG 4.17Å; L430-M432 HydrophobicContact CD1-SD 4.43Å; L430-M432 HydrophobicContact CD2-SD 4.41Å; L430-M432 HydrophobicContact CG-CG 4.3Å; L430-G606 CarbonylContact O-C 3.5Å; L430-G606 WeakPolarHBondContact O-CA 3.39Å; L430-C607 HydrophobicContact CB-CB 4.39Å; L430-C607 PolarHBondContact N-O 2.98Å; L430-C607 PolarHBondContact O-N 3.43Å; L430-L609 HydrophobicContact CB-CD1 4.18Å; L430-V622 HydrophobicContact CB-CG1 4.42Å; L430-L625 HydrophobicContact CD2-CB 4.3Å; L430-L625 HydrophobicContact CD2-CD2 3.83Å; L430-L625 HydrophobicContact CD2-CG 3.83Å; L430-K626 HydrophobicContact CD1-CB 4.15Å; L430-K626 HydrophobicContact CD1-CD 4.42Å; L430-K626 HydrophobicContact CD1-CG 4.27Å; L430-K626 HydrophobicContact CD2-CB 4.41Å; L430-L629 HydrophobicContact CD2-CD1 3.81Å
431I95Very high96.6Very high84 Ų8445 Ų4543%0.43123%0.227SC..EExtended strand (participates in β ladder)trans-127.1128.8178-58.4176.7000108.1P433 Q604 L605I431-P433 HydrophobicContact CG2-CG 4.47Å; I431-Q604 HydrophobicContact CG2-CB 4.4Å; I431-Q604 HydrophobicContact CG2-CG 4.43Å; I431-L605 WeakPolarHBondContact CA-O 3.49Å
432M96.8Very high96.5Very high3 Ų346.6 Ų46.62%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-132.990.5-179.7-62.3-171.871.100109.8L430 E434 L435 L605 K626 L629 N630L430-M432 HydrophobicContact CD1-CG 4.17Å; L430-M432 HydrophobicContact CD1-SD 4.43Å; L430-M432 HydrophobicContact CD2-SD 4.41Å; L430-M432 HydrophobicContact CG-CG 4.3Å; M432-E434 WeakPolarHBondContact CA-OE2 3.31Å; M432-E434 HydrophobicContact CB-CG 4.44Å; M432-E434 HydrophobicContact CE-CG 4.43Å; M432-E434 VanDerWaalsContact CE-OE1 3.29Å; M432-E434 WeakPolarHBondContact CE-OE1 3.13Å; M432-E434 PolarHBondContact O-N 3.09Å; M432-L435 HydrophobicContact CB-CB 4.28Å; M432-L435 HydrophobicContact CB-CD1 4.38Å; M432-L435 HydrophobicContact CE-CD1 3.82Å; M432-L435 PolarHBondContact O-N 3.44Å; M432-L435 VanDerWaalsContact O-N 3.15Å; M432-L435 HydrophobicContact SD-CD1 3.99Å; M432-L605 PolarHBondContact N-O 2.97Å; M432-L605 PolarHBondContact O-N 3.1Å; M432-K626 HydrophobicContact SD-CG 4.48Å; M432-L629 HydrophobicContact CE-CB 4.22Å; M432-L629 HydrophobicContact SD-CB 3.83Å; M432-L629 HydrophobicContact SD-CD1 3.47Å; M432-L629 WeakPolarHBondContact SD-CD1 3.43Å; M432-L629 HydrophobicContact SD-CG 4.27Å; M432-N630 WeakPolarHBondContact CE-OD1 3.45Å
433P95.7Very high96.4Very high71 Ų7149.8 Ų49.846%0.46126%0.259SS..THydrogen-bonded Turntrans-59.8-31179.8-24.835.7000114I431 L435 N436I431-P433 HydrophobicContact CG2-CG 4.47Å; P433-L435 PolarHBondContact O-N 3.08Å; P433-N436 PolarHBondContact O-ND2 2.71Å; P433-N436 VanDerWaalsContact O-ND2 3.15Å
434E95.4Very high96.4Very high73 Ų7345.8 Ų45.834%0.34126%0.256SS..THydrogen-bonded Turntrans-63.7-22.4177.162.4-98.1-136.500113.9M432 R633M432-E434 WeakPolarHBondContact CA-OE2 3.31Å; M432-E434 HydrophobicContact CB-CG 4.44Å; M432-E434 HydrophobicContact CE-CG 4.43Å; M432-E434 VanDerWaalsContact CE-OE1 3.29Å; M432-E434 WeakPolarHBondContact CE-OE1 3.13Å; M432-E434 PolarHBondContact O-N 3.09Å; E434-R633 VanDerWaalsContact CB-NH1 3.33Å; E434-R633 VanDerWaalsContact CG-NH1 3.28Å
435L96.9Very high96.4Very high0 Ų044.6 Ų44.60%025%0.248CC..SBendtrans-109.699.7179.4-71.4176.4000106.6M432 P433 Y439 L440 F450 Q604 L605 L629 R633M432-L435 HydrophobicContact CB-CB 4.28Å; M432-L435 HydrophobicContact CB-CD1 4.38Å; M432-L435 HydrophobicContact CE-CD1 3.82Å; M432-L435 PolarHBondContact O-N 3.44Å; M432-L435 VanDerWaalsContact O-N 3.15Å; M432-L435 HydrophobicContact SD-CD1 3.99Å; P433-L435 PolarHBondContact O-N 3.08Å; L435-Y439 HydrophobicContact CD2-CD1 4.06Å; L435-Y439 HydrophobicContact CD2-CE1 3.81Å; L435-L440 HydrophobicContact CD2-CD2 4.26Å; L435-F450 HydrophobicContact CD1-CE1 4.13Å; L435-F450 HydrophobicContact CD2-CE1 4.19Å; L435-F450 HydrophobicContact CD2-CZ 4.2Å; L435-Q604 CarbonylContact O-C 3.29Å; L435-Q604 VanDerWaalsContact O-C 3.29Å; L435-L605 HydrophobicContact CB-CB 4.09Å; L435-L605 HydrophobicContact CB-CD1 4.38Å; L435-L605 WeakPolarHBondContact O-CA 3.47Å; L435-L605 WeakPolarHBondContact O-CB 3.29Å; L435-L605 PolarHBondContact O-N 2.64Å; L435-L629 HydrophobicContact CD1-CB 3.83Å; L435-L629 HydrophobicContact CD1-CD2 4.11Å; L435-L629 HydrophobicContact CD1-CG 4.41Å; L435-R633 HydrophobicContact CD2-CB 4.15Å; L435-R633 HydrophobicContact CD2-CG 4.07Å
436N95.9Very high96.3Very high30 Ų3045.9 Ų45.916%0.1626%0.257CS..  trans-132.2169.417859.255.9000110.7P433 T438 Y439 L440 N601P433-N436 PolarHBondContact O-ND2 2.71Å; P433-N436 VanDerWaalsContact O-ND2 3.15Å; N436-T438 VanDerWaalsContact C-N 3.3Å; N436-T438 PolarHBondContact O-N 2.92Å; N436-T438 PolarHBondContact OD1-N 3.15Å; N436-Y439 PolarHBondContact O-N 3.14Å; N436-Y439 WeakPolarHBondContact OD1-CB 3.42Å; N436-Y439 PolarHBondContact OD1-N 2.65Å; N436-L440 WeakPolarHBondContact O-CB 3.32Å; N436-L440 WeakPolarHBondContact O-CG 3.48Å; N436-L440 PolarHBondContact O-N 3.09Å; N436-N601 WeakPolarHBondContact CB-O 3.15Å
437R95Very high96.3Very high52 Ų5245.3 Ų45.320%0.19626%0.255CS..Hα-helixtrans-58-42.9-176.5-179.8-164.3-59.9159.4-6.7111.6K441 P447 V600 N601 D602R437-K441 HydrophobicContact CG-CD 4.06Å; R437-K441 VanDerWaalsContact O-CB 3.29Å; R437-K441 WeakPolarHBondContact O-CB 3.15Å; R437-K441 VanDerWaalsContact O-CG 3.28Å; R437-K441 WeakPolarHBondContact O-CG 3.29Å; R437-K441 PolarHBondContact O-N 3.11Å; R437-P447 HydrophobicContact CB-CG 4.48Å; R437-P447 HydrophobicContact CG-CG 4.1Å; R437-V600 HydrophobicContact CB-CG1 4.3Å; R437-V600 PolarHBondContact NE-O 2.98Å; R437-V600 VanDerWaalsContact NE-O 3.16Å; R437-V600 PolarHBondContact NH2-O 3.46Å; R437-N601 WeakPolarHBondContact CB-O 3.3Å; R437-N601 PolarHBondContact N-O 2.84Å; R437-D602 WeakPolarHBondContact CB-OD1 3.47Å; R437-D602 WeakPolarHBondContact CD-OD1 3.18Å; R437-D602 IonicContact CZ-OD2 2.85Å; R437-D602 IonicContact NH1-OD2 2.7Å; R437-D602 PolarHBondContact NH1-OD2 3.26Å
438T95.9Very high96.3Very high84 Ų8447 Ų4752%0.51526%0.263SS..Hα-helixtrans-63.1-48.9179-71.30000110.9N436 S442 D602N436-T438 VanDerWaalsContact C-N 3.3Å; N436-T438 PolarHBondContact O-N 2.92Å; N436-T438 PolarHBondContact OD1-N 3.15Å; T438-S442 WeakPolarHBondContact O-CB 3.27Å; T438-S442 PolarHBondContact O-N 3.17Å; T438-D602 PolarHBondContact N-OD1 3.3Å; T438-D602 PolarHBondContact OG1-OD1 3.39Å
439Y97.3Very high96.3Very high37 Ų3744.6 Ų44.615%0.14525%0.254CS..Hα-helixtrans-58-54176.2171.1-104.8000112L435 N436 K441 S442 K443 R633 E637L435-Y439 HydrophobicContact CD2-CD1 4.06Å; L435-Y439 HydrophobicContact CD2-CE1 3.81Å; N436-Y439 PolarHBondContact O-N 3.14Å; N436-Y439 WeakPolarHBondContact OD1-CB 3.42Å; N436-Y439 PolarHBondContact OD1-N 2.65Å; Y439-K441 PolarHBondContact O-N 2.89Å; Y439-S442 WeakPolarHBondContact O-CB 3.4Å; Y439-S442 PolarHBondContact O-N 3.45Å; Y439-S442 PolarHBondContact O-OG 3.37Å; Y439-K443 HydrophobicContact CE1-CG 4.37Å; Y439-K443 HydrophobicContact CE2-CD 4.35Å; Y439-K443 HydrophobicContact CE2-CG 4.03Å; Y439-K443 PolarHBondContact O-N 3.3Å; Y439-K443 VanDerWaalsContact O-N 3.16Å; Y439-K443 WeakPolarHBondContact OH-CE 3.2Å; Y439-R633 HydrophobicContact CE1-CG 4.38Å; Y439-E637 WeakPolarHBondContact OH-CG 3.17Å; Y439-E637 PolarHBondContact OH-OE1 3.38Å
440L97.5Very high96.4Very high0 Ų042.6 Ų42.60%024%0.24CC..Hα-helixtrans-62.2-41.9-176.5-69.3170.8000111.8L435 N436 S442 K443 G444 V445 P447 F450 V600 L636L435-L440 HydrophobicContact CD2-CD2 4.26Å; N436-L440 WeakPolarHBondContact O-CB 3.32Å; N436-L440 WeakPolarHBondContact O-CG 3.48Å; N436-L440 PolarHBondContact O-N 3.09Å; L440-S442 VanDerWaalsContact C-N 3.33Å; L440-S442 PolarHBondContact O-N 2.93Å; L440-K443 PolarHBondContact O-N 2.93Å; L440-K443 VanDerWaalsContact O-N 3.14Å; L440-G444 PolarHBondContact O-N 3.3Å; L440-V445 CarbonylContact C-O 3.59Å; L440-V445 HydrophobicContact CB-CG1 3.99Å; L440-V445 HydrophobicContact CD2-CG1 3.92Å; L440-V445 WeakPolarHBondContact O-CG1 3.45Å; L440-V445 PolarHBondContact O-N 2.82Å; L440-P447 HydrophobicContact CB-CB 4.28Å; L440-P447 HydrophobicContact CB-CG 4.05Å; L440-P447 HydrophobicContact CD1-CB 3.87Å; L440-F450 HydrophobicContact CD1-CD1 4.11Å; L440-F450 HydrophobicContact CD1-CG 4.43Å; L440-F450 HydrophobicContact CD2-CB 4.38Å; L440-F450 HydrophobicContact CD2-CD1 3.82Å; L440-F450 HydrophobicContact CD2-CD2 3.85Å; L440-F450 HydrophobicContact CD2-CE1 3.99Å; L440-F450 HydrophobicContact CD2-CE2 4Å; L440-F450 HydrophobicContact CD2-CG 3.75Å; L440-F450 HydrophobicContact CD2-CZ 4.08Å; L440-V600 HydrophobicContact CD1-CG1 4.14Å; L440-L636 HydrophobicContact CD2-CD1 4.27Å
441K96.1Very high96.5Very high133 Ų13342 Ų4258%0.57824%0.237SC*.Hα-helixtrans-63.1-37.9173.4-74.5-177.8178.1-179.90112.4R437 Y439 K443 G444 P447R437-K441 HydrophobicContact CG-CD 4.06Å; R437-K441 VanDerWaalsContact O-CB 3.29Å; R437-K441 WeakPolarHBondContact O-CB 3.15Å; R437-K441 VanDerWaalsContact O-CG 3.28Å; R437-K441 WeakPolarHBondContact O-CG 3.29Å; R437-K441 PolarHBondContact O-N 3.11Å; Y439-K441 PolarHBondContact O-N 2.89Å; K441-K443 PolarHBondContact O-N 2.91Å; K441-G444 PolarHBondContact O-N 3.42Å; K441-P447 HydrophobicContact CG-CG 4.16Å
442S96.1Very high96.7Very high88 Ų8838.1 Ų38.162%0.61522%0.217SC*.Hα-helixtrans-62.3-26.8175.7830000113T438 Y439 L440 G444T438-S442 WeakPolarHBondContact O-CB 3.27Å; T438-S442 PolarHBondContact O-N 3.17Å; Y439-S442 WeakPolarHBondContact O-CB 3.4Å; Y439-S442 PolarHBondContact O-N 3.45Å; Y439-S442 PolarHBondContact O-OG 3.37Å; L440-S442 VanDerWaalsContact C-N 3.33Å; L440-S442 PolarHBondContact O-N 2.93Å; S442-G444 VanDerWaalsContact C-N 3.32Å
443K96Very high96.8Very high79 Ų7938.3 Ų38.334%0.34322%0.218SC..THydrogen-bonded Turntrans-86.82.5174.7-60.5-61.9-175.5173.70113.6Y439 L440 K441 V445 L636Y439-K443 HydrophobicContact CE1-CG 4.37Å; Y439-K443 HydrophobicContact CE2-CD 4.35Å; Y439-K443 HydrophobicContact CE2-CG 4.03Å; Y439-K443 PolarHBondContact O-N 3.3Å; Y439-K443 VanDerWaalsContact O-N 3.16Å; Y439-K443 WeakPolarHBondContact OH-CE 3.2Å; L440-K443 PolarHBondContact O-N 2.93Å; L440-K443 VanDerWaalsContact O-N 3.14Å; K441-K443 PolarHBondContact O-N 2.91Å; K443-V445 VanDerWaalsContact C-N 3.34Å; K443-V445 PolarHBondContact O-N 3.23Å; K443-L636 HydrophobicContact CB-CD1 4.15Å; K443-L636 HydrophobicContact CB-CD2 4.42Å; K443-L636 HydrophobicContact CG-CB 4.43Å; K443-L636 HydrophobicContact CG-CD1 4.46Å
444G94.8Very high96.9Very high60 Ų6035 Ų3562%0.61920%0.196SC*.THydrogen-bonded Turntrans73.620.6177.700000114.6L440 K441 S442L440-G444 PolarHBondContact O-N 3.3Å; K441-G444 PolarHBondContact O-N 3.42Å; S442-G444 VanDerWaalsContact C-N 3.32Å
445V96.9Very high97.1Very high5 Ų531.5 Ų31.53%0.0318%0.18CC..  trans-111.4145178.3730000110.9L440 K443 P447 F450 L516 L517 S520 L636L440-V445 CarbonylContact C-O 3.59Å; L440-V445 HydrophobicContact CB-CG1 3.99Å; L440-V445 HydrophobicContact CD2-CG1 3.92Å; L440-V445 WeakPolarHBondContact O-CG1 3.45Å; L440-V445 PolarHBondContact O-N 2.82Å; K443-V445 VanDerWaalsContact C-N 3.34Å; K443-V445 PolarHBondContact O-N 3.23Å; V445-P447 WeakPolarHBondContact O-CD 3.39Å; V445-F450 HydrophobicContact CG1-CB 4.3Å; V445-F450 HydrophobicContact CG1-CD2 4.15Å; V445-F450 HydrophobicContact CG2-CB 4.1Å; V445-F450 HydrophobicContact CG2-CD2 4.38Å; V445-L516 HydrophobicContact CG2-CD2 3.79Å; V445-L517 HydrophobicContact CB-CD2 4.4Å; V445-S520 VanDerWaalsContact CG2-CB 3.5Å; V445-L636 HydrophobicContact CG1-CD1 3.92Å
446S96.7Very high97.2Very high29 Ų2931.7 Ų31.720%0.20318%0.181CC..  trans-67124.7168.8177.60000109.1D448 G449 F450 S520S446-D448 PolarHBondContact O-N 2.89Å; S446-G449 PolarHBondContact O-N 2.56Å; S446-G449 PolarHBondContact OG-N 2.97Å; S446-F450 WeakPolarHBondContact O-CB 3.49Å; S446-F450 PolarHBondContact O-N 2.9Å; S446-S520 WeakPolarHBondContact CB-OG 3.46Å; S446-S520 PolarHBondContact N-OG 3.42Å
447P97.2Very high97.3Very high16 Ų1630.2 Ų30.210%0.10417%0.173CC..Hα-helixtrans-56.1-39.2177.6-25.533.6000113.3R437 L440 K441 V445 L451 V600R437-P447 HydrophobicContact CB-CG 4.48Å; R437-P447 HydrophobicContact CG-CG 4.1Å; L440-P447 HydrophobicContact CB-CB 4.28Å; L440-P447 HydrophobicContact CB-CG 4.05Å; L440-P447 HydrophobicContact CD1-CB 3.87Å; K441-P447 HydrophobicContact CG-CG 4.16Å; V445-P447 WeakPolarHBondContact O-CD 3.39Å; P447-L451 PolarHBondContact O-N 3.38Å; P447-L451 VanDerWaalsContact O-N 3.16Å; P447-V600 HydrophobicContact CB-CB 4.1Å; P447-V600 HydrophobicContact CB-CG1 3.78Å; P447-V600 HydrophobicContact CB-CG2 4.49Å
448D97.3Very high97.5Very high34 Ų3427.8 Ų27.818%0.18216%0.164CC..Hα-helixtrans-68-50.4178.8-17751.2000111.7S446 F450 L451 Q452 H523 Y598S446-D448 PolarHBondContact O-N 2.89Å; D448-F450 VanDerWaalsContact C-N 3.27Å; D448-F450 PolarHBondContact O-N 3.39Å; D448-L451 PolarHBondContact O-N 3.25Å; D448-Q452 WeakPolarHBondContact O-CB 3.36Å; D448-Q452 VanDerWaalsContact O-CG 3.31Å; D448-Q452 WeakPolarHBondContact O-CG 3.37Å; D448-Q452 PolarHBondContact O-N 3.37Å; D448-H523 IonicContact OD2-CE1 2.66Å; D448-H523 PolarHBondContact OD2-CE1 3.16Å; D448-H523 IonicContact OD2-ND1 3.12Å; D448-Y598 WeakPolarHBondContact OD1-CE2 3.26Å; D448-Y598 PolarHBondContact OD1-OH 3.08Å
449G97.7Very high97.6Very high3 Ų323.8 Ų23.83%0.03114%0.139CC..Hα-helixtrans-64-29.8175.900000113.7S446 L453 H523S446-G449 PolarHBondContact O-N 2.56Å; S446-G449 PolarHBondContact OG-N 2.97Å; G449-L453 WeakPolarHBondContact O-CB 3.09Å; G449-L453 PolarHBondContact O-N 3.48Å; G449-L453 VanDerWaalsContact O-N 3.1Å; G449-H523 WeakPolarHBondContact CA-ND1 3.45Å
450F98.4Very high97.7Very high1 Ų123.3 Ų23.30%0.00414%0.139CC..Hα-helixtrans-65.7-50.7174.1178.8-89000111.4L435 L440 V445 S446 D448 L453 A454 L629 L632 L636L435-F450 HydrophobicContact CD1-CE1 4.13Å; L435-F450 HydrophobicContact CD2-CE1 4.19Å; L435-F450 HydrophobicContact CD2-CZ 4.2Å; L440-F450 HydrophobicContact CD1-CD1 4.11Å; L440-F450 HydrophobicContact CD1-CG 4.43Å; L440-F450 HydrophobicContact CD2-CB 4.38Å; L440-F450 HydrophobicContact CD2-CD1 3.82Å; L440-F450 HydrophobicContact CD2-CD2 3.85Å; L440-F450 HydrophobicContact CD2-CE1 3.99Å; L440-F450 HydrophobicContact CD2-CE2 4Å; L440-F450 HydrophobicContact CD2-CG 3.75Å; L440-F450 HydrophobicContact CD2-CZ 4.08Å; V445-F450 HydrophobicContact CG1-CB 4.3Å; V445-F450 HydrophobicContact CG1-CD2 4.15Å; V445-F450 HydrophobicContact CG2-CB 4.1Å; V445-F450 HydrophobicContact CG2-CD2 4.38Å; S446-F450 WeakPolarHBondContact O-CB 3.49Å; S446-F450 PolarHBondContact O-N 2.9Å; D448-F450 VanDerWaalsContact C-N 3.27Å; D448-F450 PolarHBondContact O-N 3.39Å; F450-L453 PolarHBondContact O-N 2.76Å; F450-A454 PolarHBondContact O-N 3.24Å; F450-L629 HydrophobicContact CD1-CD2 4.18Å; F450-L629 HydrophobicContact CE1-CD2 3.65Å; F450-L632 HydrophobicContact CD2-CB 4.43Å; F450-L632 HydrophobicContact CD2-CD2 4.28Å; F450-L632 HydrophobicContact CE2-CB 3.53Å; F450-L632 HydrophobicContact CE2-CD2 4.14Å; F450-L632 HydrophobicContact CE2-CG 4.36Å; F450-L632 HydrophobicContact CZ-CB 3.57Å; F450-L632 HydrophobicContact CZ-CD2 4.36Å; F450-L636 HydrophobicContact CD2-CD1 3.84Å; F450-L636 HydrophobicContact CE2-CD1 3.45Å; F450-L636 VanDerWaalsContact CE2-CD1 3.45Å; F450-L636 HydrophobicContact CE2-CG 4.3Å; F450-L636 HydrophobicContact CZ-CD1 4.45Å
451L98.4Very high97.7Very high0 Ų027.9 Ų27.90%016%0.157CC..Hα-helixtrans-66.9-42.2179.5176.755.3000111.7P447 D448 L453 A454 I455 Y598 V600 L605 L625 L629P447-L451 PolarHBondContact O-N 3.38Å; P447-L451 VanDerWaalsContact O-N 3.16Å; D448-L451 PolarHBondContact O-N 3.25Å; L451-L453 VanDerWaalsContact C-N 3.29Å; L451-L453 PolarHBondContact O-N 3.31Å; L451-A454 WeakPolarHBondContact O-CB 3.14Å; L451-A454 PolarHBondContact O-N 3.38Å; L451-A454 VanDerWaalsContact O-N 3.11Å; L451-I455 HydrophobicContact CD1-CD1 4.19Å; L451-I455 HydrophobicContact CD1-CG1 4.19Å; L451-I455 HydrophobicContact CG-CD1 4.06Å; L451-I455 WeakPolarHBondContact O-CG1 3.07Å; L451-I455 PolarHBondContact O-N 2.99Å; L451-Y598 HydrophobicContact CD2-CD1 4.29Å; L451-Y598 HydrophobicContact CD2-CD2 3.3Å; L451-Y598 HydrophobicContact CD2-CE2 3.99Å; L451-Y598 HydrophobicContact CD2-CG 3.46Å; L451-Y598 VanDerWaalsContact CD2-CG 3.46Å; L451-Y598 HydrophobicContact CG-CD2 4.44Å; L451-V600 HydrophobicContact CD2-CG2 4.28Å; L451-L605 HydrophobicContact CB-CD1 4.28Å; L451-L605 HydrophobicContact CD1-CD1 4.22Å; L451-L605 HydrophobicContact CD1-CD2 4.37Å; L451-L605 HydrophobicContact CD2-CD1 4.21Å; L451-L605 HydrophobicContact CD2-CG 4.33Å; L451-L605 HydrophobicContact CG-CD1 4.47Å; L451-L625 HydrophobicContact CD1-CD1 4.47Å; L451-L629 HydrophobicContact CD1-CD1 4.49Å; L451-L629 HydrophobicContact CD1-CD2 4Å
452Q98.6Very high97.8Very high2 Ų224.4 Ų24.41%0.00914%0.144CC..Hα-helixtrans-58.6-41175.6-73.5-70-7.400112D448 I455 Q456 P488 T573 Y598D448-Q452 WeakPolarHBondContact O-CB 3.36Å; D448-Q452 VanDerWaalsContact O-CG 3.31Å; D448-Q452 WeakPolarHBondContact O-CG 3.37Å; D448-Q452 PolarHBondContact O-N 3.37Å; Q452-I455 PolarHBondContact O-N 3.08Å; Q452-Q456 WeakPolarHBondContact O-CG 3.39Å; Q452-Q456 PolarHBondContact O-N 2.71Å; Q452-P488 HydrophobicContact CB-CB 4.16Å; Q452-P488 HydrophobicContact CG-CG 4.4Å; Q452-P488 VanDerWaalsContact OE1-CG 3.25Å; Q452-T573 PolarHBondContact NE2-OG1 2.83Å; Q452-Y598 PolarHBondContact NE2-OH 2.66Å
453L98.8Very high97.8Very high8 Ų822.8 Ų22.84%0.04213%0.127CC..Hα-helixtrans-65.3-43173.7-174.963.1000112G449 F450 L451 I455 Q456 V457 F496 L516 C519 L632G449-L453 WeakPolarHBondContact O-CB 3.09Å; G449-L453 PolarHBondContact O-N 3.48Å; G449-L453 VanDerWaalsContact O-N 3.1Å; F450-L453 PolarHBondContact O-N 2.76Å; L451-L453 VanDerWaalsContact C-N 3.29Å; L451-L453 PolarHBondContact O-N 3.31Å; L453-I455 VanDerWaalsContact C-N 3.29Å; L453-I455 PolarHBondContact O-N 2.89Å; L453-Q456 WeakPolarHBondContact O-CB 3.1Å; L453-Q456 PolarHBondContact O-N 3.39Å; L453-Q456 VanDerWaalsContact O-N 3.13Å; L453-V457 WeakPolarHBondContact O-CG2 3.29Å; L453-V457 PolarHBondContact O-N 2.92Å; L453-F496 HydrophobicContact CD1-CD1 3.69Å; L453-F496 HydrophobicContact CD1-CE1 4.32Å; L453-F496 HydrophobicContact CD1-CG 4.32Å; L453-F496 HydrophobicContact CD2-CD1 3.74Å; L453-F496 HydrophobicContact CD2-CE1 3.73Å; L453-F496 HydrophobicContact CD2-CG 4.21Å; L453-F496 HydrophobicContact CD2-CZ 4.2Å; L453-F496 HydrophobicContact CG-CD1 3.89Å; L453-F496 HydrophobicContact CG-CE1 4Å; L453-L516 HydrophobicContact CD2-CG 4.06Å; L453-C519 HydrophobicContact CD1-CB 4.23Å; L453-C519 HydrophobicContact CD2-CB 3.86Å; L453-L632 HydrophobicContact CB-CD2 4.2Å; L453-L632 HydrophobicContact CD2-CD2 4.07Å; L453-L632 HydrophobicContact CG-CD2 4.1Å
454A98.8Very high97.8Very high0 Ų022 Ų220%014%0.141CC..Hα-helixtrans-59.4-40.3176.600000111.9F450 L451 Q456 V457 A458 L625 L629 L632F450-A454 PolarHBondContact O-N 3.24Å; L451-A454 WeakPolarHBondContact O-CB 3.14Å; L451-A454 PolarHBondContact O-N 3.38Å; L451-A454 VanDerWaalsContact O-N 3.11Å; A454-Q456 VanDerWaalsContact C-N 3.34Å; A454-Q456 PolarHBondContact O-N 3.44Å; A454-V457 PolarHBondContact O-N 3.49Å; A454-A458 VanDerWaalsContact O-CB 3.3Å; A454-A458 WeakPolarHBondContact O-CB 3.39Å; A454-A458 PolarHBondContact O-N 3.25Å; A454-L625 HydrophobicContact CB-CD1 4.12Å; A454-L629 HydrophobicContact CB-CD2 3.45Å; A454-L629 VanDerWaalsContact CB-CD2 3.45Å; A454-L629 HydrophobicContact CB-CG 3.84Å; A454-L632 HydrophobicContact CB-CD2 3.97Å
455I98.8Very high97.9Very high0 Ų023.9 Ų23.90%013%0.13CC..Hα-helixtrans-60.7-42.2174.9-71166.3000111.1L451 Q452 L453 A458 F459 L571 T573 I596 L625L451-I455 HydrophobicContact CD1-CD1 4.19Å; L451-I455 HydrophobicContact CD1-CG1 4.19Å; L451-I455 HydrophobicContact CG-CD1 4.06Å; L451-I455 WeakPolarHBondContact O-CG1 3.07Å; L451-I455 PolarHBondContact O-N 2.99Å; Q452-I455 PolarHBondContact O-N 3.08Å; L453-I455 VanDerWaalsContact C-N 3.29Å; L453-I455 PolarHBondContact O-N 2.89Å; I455-A458 PolarHBondContact O-N 2.98Å; I455-F459 PolarHBondContact O-N 3.47Å; I455-L571 HydrophobicContact CG2-CD1 3.81Å; I455-L571 HydrophobicContact CG2-CD2 4.08Å; I455-L571 HydrophobicContact CG2-CG 4.49Å; I455-T573 HydrophobicContact CD1-CG2 4.27Å; I455-I596 HydrophobicContact CD1-CD1 4.2Å; I455-I596 HydrophobicContact CD1-CG2 4.13Å; I455-I596 HydrophobicContact CG1-CD1 4.34Å; I455-I596 HydrophobicContact CG2-CD1 3.93Å; I455-L625 HydrophobicContact CG1-CD1 3.96Å
456Q98.8Very high97.9Very high4 Ų424.5 Ų24.52%0.01913%0.134CC..Hα-helixtrans-63.1-43.9175.8-62.4-57.5-67.400112Q452 L453 A454 N460 T469 V497Q452-Q456 WeakPolarHBondContact O-CG 3.39Å; Q452-Q456 PolarHBondContact O-N 2.71Å; L453-Q456 WeakPolarHBondContact O-CB 3.1Å; L453-Q456 PolarHBondContact O-N 3.39Å; L453-Q456 VanDerWaalsContact O-N 3.13Å; A454-Q456 VanDerWaalsContact C-N 3.34Å; A454-Q456 PolarHBondContact O-N 3.44Å; Q456-N460 WeakPolarHBondContact O-CB 3.43Å; Q456-N460 PolarHBondContact O-N 3.35Å; Q456-T469 PolarHBondContact NE2-OG1 2.71Å; Q456-V497 HydrophobicContact CB-CG2 4.01Å
457V98.8Very high98Very high0 Ų023.3 Ų23.30%013%0.125CC..Hα-helixtrans-62.7-46.1176.7176.80000110.5L453 A454 F459 N460 R461 F496 V497 L500 L501 S628 L632L453-V457 WeakPolarHBondContact O-CG2 3.29Å; L453-V457 PolarHBondContact O-N 2.92Å; A454-V457 PolarHBondContact O-N 3.49Å; V457-F459 VanDerWaalsContact C-N 3.34Å; V457-F459 PolarHBondContact O-N 3.05Å; V457-N460 PolarHBondContact O-N 3.33Å; V457-R461 VanDerWaalsContact O-CB 3.24Å; V457-R461 WeakPolarHBondContact O-CB 3.36Å; V457-R461 PolarHBondContact O-N 2.92Å; V457-F496 HydrophobicContact CG2-CD1 4.25Å; V457-F496 HydrophobicContact CG2-CE1 3.96Å; V457-V497 HydrophobicContact CG2-CG2 3.78Å; V457-L500 HydrophobicContact CB-CD2 4.44Å; V457-L500 HydrophobicContact CG1-CD2 3.67Å; V457-L500 HydrophobicContact CG2-CD2 3.84Å; V457-L501 HydrophobicContact CG1-CD2 4.23Å; V457-S628 WeakPolarHBondContact CG1-OG 3.21Å; V457-L632 HydrophobicContact CG2-CD1 4.19Å
458A98.8Very high98Very high0 Ų022.8 Ų22.80%012%0.122CC..Hα-helixtrans-60.3-44.4-177.900000112A454 I455 L462 F621 S624 L625 S628A454-A458 VanDerWaalsContact O-CB 3.3Å; A454-A458 WeakPolarHBondContact O-CB 3.39Å; A454-A458 PolarHBondContact O-N 3.25Å; I455-A458 PolarHBondContact O-N 2.98Å; A458-L462 WeakPolarHBondContact O-CB 3.5Å; A458-L462 PolarHBondContact O-N 2.9Å; A458-F621 HydrophobicContact CB-CE2 4.1Å; A458-F621 HydrophobicContact CB-CZ 4.47Å; A458-S624 WeakPolarHBondContact CA-OG 3.36Å; A458-S624 PolarHBondContact O-OG 3.12Å; A458-L625 HydrophobicContact CB-CB 3.95Å; A458-L625 HydrophobicContact CB-CD1 4.03Å; A458-S628 VanDerWaalsContact CA-OG 3.31Å; A458-S628 WeakPolarHBondContact CA-OG 3.49Å; A458-S628 PolarHBondContact N-OG 2.92Å
459F98.7Very high98.1Very high0 Ų021.2 Ų21.20%011%0.114CC..Hα-helixtrans-67.1-48.2178.2-171.1-78.8000111.4I455 V457 R461 L462 H463 Y465 P467 T570 L571 Y594 F621I455-F459 PolarHBondContact O-N 3.47Å; V457-F459 VanDerWaalsContact C-N 3.34Å; V457-F459 PolarHBondContact O-N 3.05Å; F459-R461 VanDerWaalsContact C-N 3.34Å; F459-R461 PolarHBondContact O-N 2.62Å; F459-L462 PolarHBondContact O-N 3.15Å; F459-H463 HydrophobicContact CD1-CB 4.19Å; F459-H463 AromaticContact CD1-CD2 3.91Å; F459-H463 AromaticContact CD2-CD2 3.63Å; F459-H463 HydrophobicContact CE1-CB 3.78Å; F459-H463 AromaticContact CE1-CD2 3.85Å; F459-H463 AromaticContact CE2-CD2 3.58Å; F459-H463 AromaticContact CG-CD2 3.82Å; F459-H463 HydrophobicContact CZ-CB 4.17Å; F459-H463 AromaticContact CZ-CD2 3.69Å; F459-H463 PolarHBondContact O-CD2 3.49Å; F459-H463 PolarHBondContact O-N 2.77Å; F459-Y465 WeakPolarHBondContact CD1-O 3.11Å; F459-Y465 HydrophobicContact CE1-CD1 4.24Å; F459-Y465 HydrophobicContact CE1-CD2 4.15Å; F459-Y465 AromaticContact CE1-CE1 3.85Å; F459-Y465 HydrophobicContact CE1-CE1 3.85Å; F459-Y465 AromaticContact CE1-CE2 3.75Å; F459-Y465 HydrophobicContact CE1-CE2 3.75Å; F459-Y465 HydrophobicContact CE1-CG 4.38Å; F459-Y465 AromaticContact CE1-CZ 3.58Å; F459-Y465 HydrophobicContact CZ-CE1 4.14Å; F459-Y465 HydrophobicContact CZ-CE2 4.06Å; F459-Y465 AromaticContact CZ-CZ 3.63Å; F459-Y465 WeakPolarHBondContact CZ-OH 3.45Å; F459-P467 HydrophobicContact CD1-CB 4.31Å; F459-P467 HydrophobicContact CD1-CG 3.53Å; F459-P467 HydrophobicContact CD2-CG 4.04Å; F459-P467 HydrophobicContact CE1-CB 3.77Å; F459-P467 HydrophobicContact CE1-CG 3.51Å; F459-P467 HydrophobicContact CE2-CB 4.34Å; F459-P467 HydrophobicContact CE2-CG 4Å; F459-P467 HydrophobicContact CG-CG 3.79Å; F459-P467 HydrophobicContact CZ-CB 3.78Å; F459-P467 HydrophobicContact CZ-CG 3.75Å; F459-T570 HydrophobicContact CE2-CG2 3.72Å; F459-T570 HydrophobicContact CZ-CG2 3.84Å; F459-L571 HydrophobicContact CB-CD1 3.97Å; F459-L571 HydrophobicContact CD2-CD1 4.06Å; F459-L571 HydrophobicContact CD2-CD2 3.81Å; F459-L571 HydrophobicContact CD2-CG 3.92Å; F459-L571 HydrophobicContact CE2-CD2 4.48Å; F459-L571 HydrophobicContact CE2-CG 4.41Å; F459-L571 HydrophobicContact CG-CD1 4.09Å; F459-L571 HydrophobicContact CG-CG 4.45Å; F459-Y594 HydrophobicContact CD2-CD2 4.21Å; F459-Y594 AromaticContact CD2-CE2 3.95Å; F459-Y594 HydrophobicContact CD2-CE2 3.95Å; F459-Y594 HydrophobicContact CE2-CD2 4.13Å; F459-Y594 AromaticContact CE2-CE2 3.78Å; F459-Y594 HydrophobicContact CE2-CE2 3.78Å; F459-F621 HydrophobicContact CB-CE2 3.97Å; F459-F621 HydrophobicContact CD2-CE2 4.2Å
460N98.3Very high98.1Very high28 Ų2822.6 Ų22.615%0.1512%0.119CC..Hα-helixtrans-65-39.3-178.1-168.4-77.2000111.8Q456 V457 L462 G464 Y465 V497 L501Q456-N460 WeakPolarHBondContact O-CB 3.43Å; Q456-N460 PolarHBondContact O-N 3.35Å; V457-N460 PolarHBondContact O-N 3.33Å; N460-L462 VanDerWaalsContact C-N 3.27Å; N460-L462 PolarHBondContact O-N 3.46Å; N460-G464 WeakPolarHBondContact O-CA 3.39Å; N460-G464 PolarHBondContact O-N 3.39Å; N460-Y465 VanDerWaalsContact ND2-C 3.28Å; N460-Y465 PolarHBondContact ND2-O 2.94Å; N460-V497 HydrophobicContact CB-CG1 3.43Å; N460-V497 VanDerWaalsContact CB-CG1 3.43Å; N460-V497 VanDerWaalsContact CG-CG1 3.46Å; N460-L501 HydrophobicContact CB-CD1 4.15Å; N460-L501 WeakPolarHBondContact OD1-CD1 3.25Å
461R97.8Very high98.1Very high95 Ų9522.9 Ų22.936%0.35812%0.12SC..Hα-helixtrans-57.2-40.8174.1-177-175.5-56.5-115.5-1.4112.4V457 F459 L501 D631V457-R461 VanDerWaalsContact O-CB 3.24Å; V457-R461 WeakPolarHBondContact O-CB 3.36Å; V457-R461 PolarHBondContact O-N 2.92Å; F459-R461 VanDerWaalsContact C-N 3.34Å; F459-R461 PolarHBondContact O-N 2.62Å; R461-L501 HydrophobicContact CB-CD1 4.15Å; R461-L501 HydrophobicContact CB-CD2 4.21Å; R461-L501 HydrophobicContact CG-CD2 4.39Å; R461-D631 IonicContact CZ-OD2 2.74Å; R461-D631 IonicContact NH1-OD2 3.22Å; R461-D631 IonicContact NH2-OD2 3.39Å; R461-D631 PolarHBondContact NH2-OD2 2.84Å
462L97.5Very high98.1Very high61 Ų6124.8 Ų24.832%0.31913%0.133SC..Hα-helixtrans-83.7-39.6-175.7-176.358.9000113A458 F459 N460 D620 F621A458-L462 WeakPolarHBondContact O-CB 3.5Å; A458-L462 PolarHBondContact O-N 2.9Å; F459-L462 PolarHBondContact O-N 3.15Å; N460-L462 VanDerWaalsContact C-N 3.27Å; N460-L462 PolarHBondContact O-N 3.46Å; L462-D620 HydrophobicContact CD1-CB 3.91Å; L462-D620 HydrophobicContact CD2-CB 3.91Å; L462-F621 HydrophobicContact CD2-CB 4Å; L462-F621 HydrophobicContact CD2-CD2 4.28Å
463H96.9Very high98Very high54 Ų5425.3 Ų25.325%0.2514%0.137CC..Hα-helixtrans-110.3-11.6-170.3-57.6-67.9000114.1F459 Y465 Y594 R616F459-H463 HydrophobicContact CD1-CB 4.19Å; F459-H463 AromaticContact CD1-CD2 3.91Å; F459-H463 AromaticContact CD2-CD2 3.63Å; F459-H463 HydrophobicContact CE1-CB 3.78Å; F459-H463 AromaticContact CE1-CD2 3.85Å; F459-H463 AromaticContact CE2-CD2 3.58Å; F459-H463 AromaticContact CG-CD2 3.82Å; F459-H463 HydrophobicContact CZ-CB 4.17Å; F459-H463 AromaticContact CZ-CD2 3.69Å; F459-H463 PolarHBondContact O-CD2 3.49Å; F459-H463 PolarHBondContact O-N 2.77Å; H463-Y465 VanDerWaalsContact C-N 3.34Å; H463-Y465 HydrophobicContact CB-CD1 3.91Å; H463-Y465 HydrophobicContact CB-CE1 3.68Å; H463-Y465 WeakPolarHBondContact O-CD1 3.36Å; H463-Y465 PolarHBondContact O-N 3.33Å; H463-Y594 PolarHBondContact CE1-OH 3.36Å; H463-Y594 AromaticContact NE2-CE2 3.95Å; H463-Y594 AromaticContact NE2-CZ 3.91Å; H463-Y594 PolarHBondContact NE2-OH 2.78Å; H463-R616 PolarHBondContact CE1-NH1 3.16Å; H463-R616 PolarHBondContact ND1-NH1 2.75Å
464G96.6Very high97.8Very high62 Ų6227.4 Ų27.464%0.63915%0.152SC*.SBendtrans78.76.3176.300000115.9N460N460-G464 WeakPolarHBondContact O-CA 3.39Å; N460-G464 PolarHBondContact O-N 3.39Å
465Y96.6Very high97.7Very high100 Ų10027.6 Ų27.639%0.39215%0.153SC..SBendtrans-143.3167.7179.473.2-84.5000112.5F459 N460 H463 P467 R616F459-Y465 WeakPolarHBondContact CD1-O 3.11Å; F459-Y465 HydrophobicContact CE1-CD1 4.24Å; F459-Y465 HydrophobicContact CE1-CD2 4.15Å; F459-Y465 AromaticContact CE1-CE1 3.85Å; F459-Y465 HydrophobicContact CE1-CE1 3.85Å; F459-Y465 AromaticContact CE1-CE2 3.75Å; F459-Y465 HydrophobicContact CE1-CE2 3.75Å; F459-Y465 HydrophobicContact CE1-CG 4.38Å; F459-Y465 AromaticContact CE1-CZ 3.58Å; F459-Y465 HydrophobicContact CZ-CE1 4.14Å; F459-Y465 HydrophobicContact CZ-CE2 4.06Å; F459-Y465 AromaticContact CZ-CZ 3.63Å; F459-Y465 WeakPolarHBondContact CZ-OH 3.45Å; N460-Y465 VanDerWaalsContact ND2-C 3.28Å; N460-Y465 PolarHBondContact ND2-O 2.94Å; H463-Y465 VanDerWaalsContact C-N 3.34Å; H463-Y465 HydrophobicContact CB-CD1 3.91Å; H463-Y465 HydrophobicContact CB-CE1 3.68Å; H463-Y465 WeakPolarHBondContact O-CD1 3.36Å; H463-Y465 PolarHBondContact O-N 3.33Å; Y465-P467 HydrophobicContact CE2-CB 4.04Å; Y465-R616 PolarHBondContact OH-NH2 3.22Å
466T97.6Very high97.5Very high17 Ų1728 Ų2810%0.10416%0.156CC..PPolyproline II helixtrans-96.9126.1173.6-60.60000109.8P57 F58 A489 N494P57-T466 HydrophobicContact CB-CG2 4.5Å; F58-T466 HydrophobicContact CB-CG2 4.39Å; F58-T466 WeakPolarHBondContact CB-O 3.44Å; T466-A489 HydrophobicContact CG2-CB 3.96Å; T466-N494 WeakPolarHBondContact CB-OD1 3.38Å; T466-N494 WeakPolarHBondContact CG2-OD1 3.27Å; T466-N494 PolarHBondContact OG1-ND2 3.32Å; T466-N494 PolarHBondContact OG1-OD1 3.17Å
467P97.4Very high97.3Very high4 Ų429.1 Ų29.13%0.02617%0.166CC..PPolyproline II helixtrans-95.2166.2178.737.8-34.9000112.7F459 Y465 T469 T570 L571F459-P467 HydrophobicContact CD1-CB 4.31Å; F459-P467 HydrophobicContact CD1-CG 3.53Å; F459-P467 HydrophobicContact CD2-CG 4.04Å; F459-P467 HydrophobicContact CE1-CB 3.77Å; F459-P467 HydrophobicContact CE1-CG 3.51Å; F459-P467 HydrophobicContact CE2-CB 4.34Å; F459-P467 HydrophobicContact CE2-CG 4Å; F459-P467 HydrophobicContact CG-CG 3.79Å; F459-P467 HydrophobicContact CZ-CB 3.78Å; F459-P467 HydrophobicContact CZ-CG 3.75Å; Y465-P467 HydrophobicContact CE2-CB 4.04Å; P467-T469 PolarHBondContact O-N 3.49Å; P467-T469 PolarHBondContact O-OG1 2.92Å; P467-T570 HydrophobicContact CB-CG2 4.37Å; P467-L571 HydrophobicContact CG-CD1 3.51Å; P467-L571 HydrophobicContact CG-CG 3.84Å
468A98.1Very high97.2Very high5 Ų530.5 Ų30.54%0.04117%0.173CC..PPolyproline II helixtrans-62.9126164.100000110F58 L565 T570 L571F58-A468 HydrophobicContact CD1-CB 4.37Å; F58-A468 HydrophobicContact CE1-CB 4.07Å; F58-A468 HydrophobicContact CE2-CB 4.22Å; F58-A468 HydrophobicContact CZ-CB 3.97Å; A468-L565 WeakPolarHBondContact CB-O 3.4Å; A468-T570 PolarHBondContact O-N 2.85Å; A468-L571 PolarHBondContact O-N 3.41Å
469T98.7Very high97Very high1 Ų131.8 Ų31.81%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-120.5131.9-176-54.40000110.8Q456 P467 R487 P488 L571Q456-T469 PolarHBondContact NE2-OG1 2.71Å; P467-T469 PolarHBondContact O-N 3.49Å; P467-T469 PolarHBondContact O-OG1 2.92Å; T469-R487 WeakPolarHBondContact O-CD 3.23Å; T469-P488 HydrophobicContact CG2-CB 4.07Å; T469-P488 HydrophobicContact CG2-CG 3.76Å; T469-L571 CarbonylContact C-O 3.47Å; T469-L571 WeakPolarHBondContact CA-O 3.42Å; T469-L571 HydrophobicContact CG2-CB 3.82Å; T469-L571 HydrophobicContact CG2-CD1 4.42Å
470Y98.6Very high97Very high33 Ų3333.7 Ų33.713%0.12919%0.187CC..EExtended strand (participates in β ladder)trans-107.7135.1175.1-179-93.2000110.7T485 R538 F569 L571 T573Y470-T485 HydrophobicContact CD2-CG2 3.36Å; Y470-T485 HydrophobicContact CE2-CG2 3.61Å; Y470-T485 WeakPolarHBondContact CE2-OG1 3.46Å; Y470-T485 HydrophobicContact CG-CG2 4.29Å; Y470-R538 PolarHBondContact OH-NH2 3.09Å; Y470-F569 VanDerWaalsContact CB-CD1 3.45Å; Y470-F569 HydrophobicContact CD2-CD1 4.36Å; Y470-F569 AromaticContact CD2-CE1 3.87Å; Y470-F569 HydrophobicContact CD2-CE1 3.87Å; Y470-F569 HydrophobicContact CD2-CE2 4.16Å; Y470-F569 AromaticContact CD2-CZ 3.8Å; Y470-F569 HydrophobicContact CD2-CZ 3.8Å; Y470-F569 HydrophobicContact CG-CD1 4.38Å; Y470-F569 HydrophobicContact CG-CE1 4.31Å; Y470-L571 PolarHBondContact N-O 2.84Å; Y470-T573 WeakPolarHBondContact O-CB 3.38Å; Y470-T573 PolarHBondContact O-N 2.98Å; Y470-T573 PolarHBondContact O-OG1 3.13Å
471E98.6Very high96.9Very high7 Ų732.4 Ų32.43%0.03318%0.181CC..EExtended strand (participates in β ladder)trans-132.7129.8163.9177.2-168.1167.600109.2V486 P488 H523 T573E471-V486 HydrophobicContact CB-CB 4.01Å; E471-V486 HydrophobicContact CB-CG1 4.46Å; E471-V486 HydrophobicContact CG-CB 4.32Å; E471-V486 PolarHBondContact N-O 3.15Å; E471-V486 VanDerWaalsContact N-O 3.1Å; E471-V486 PolarHBondContact O-N 3.09Å; E471-V486 WeakPolarHBondContact OE2-CG1 3.35Å; E471-P488 HydrophobicContact CB-CG 3.86Å; E471-H523 IonicContact OE1-CE1 3.52Å; E471-H523 IonicContact OE1-NE2 3.47Å; E471-H523 IonicContact OE2-CD2 2.7Å; E471-H523 IonicContact OE2-CE1 2.65Å; E471-H523 PolarHBondContact OE2-CE1 2.77Å; E471-H523 IonicContact OE2-NE2 2.82Å; E471-H523 PolarHBondContact OE2-NE2 3.45Å; E471-T573 WeakPolarHBondContact CA-O 3.45Å; E471-T573 WeakPolarHBondContact CA-OG1 3.32Å; E471-T573 WeakPolarHBondContact CB-OG1 3.34Å
472S96.9Very high96.8Very high40 Ų4028 Ų2828%0.2816%0.164SC..EExtended strand (participates in β ladder)trans-74.3131.8179.7-171.90000111.7T573S472-T573 PolarHBondContact N-O 3.31Å
473C96.6Very high96.8Very high13 Ų1325.6 Ų25.69%0.08815%0.152CC..EExtended strand (participates in β ladder)trans-129.7127.3173.3-172.80000110.9T483 E484 V486 A530 S531C473-T483 CarbonylContact O-C 3.56Å; C473-T483 VanDerWaalsContact O-CA 3.23Å; C473-T483 WeakPolarHBondContact O-CA 3.28Å; C473-E484 PolarHBondContact N-O 3.19Å; C473-E484 PolarHBondContact O-N 3.47Å; C473-V486 HydrophobicContact CB-CG2 3.77Å; C473-A530 HydrophobicContact CB-CB 3.82Å; C473-S531 PolarHBondContact SG-N 3.22Å
474S95.1Very high96.9Very high52 Ų5223.1 Ų23.136%0.36414%0.14SC..EExtended strand (participates in β ladder)trans-70.2138.7-179.8-179.10000112.2A476S474-A476 VanDerWaalsContact OG-CB 3.28Å; S474-A476 WeakPolarHBondContact OG-CB 3.36Å; S474-A476 PolarHBondContact OG-N 3.12Å; S474-A476 VanDerWaalsContact OG-N 3.13Å
475T96.9Very high96.9Very high3 Ų320.4 Ų20.42%0.01811%0.112CC..  trans-11319.1168.658.70000111.7L39 A477 F478 G481 R482 E484 A530L39-T475 HydrophobicContact CD1-CG2 4.15Å; T475-A477 PolarHBondContact O-N 2.93Å; T475-F478 WeakPolarHBondContact O-CD2 3.3Å; T475-F478 PolarHBondContact O-N 3.4Å; T475-G481 WeakPolarHBondContact O-CA 3.41Å; T475-R482 PolarHBondContact N-O 2.9Å; T475-R482 PolarHBondContact OG1-N 3.11Å; T475-R482 PolarHBondContact OG1-O 3.02Å; T475-E484 HydrophobicContact CG2-CB 3.85Å; T475-A530 WeakPolarHBondContact CG2-O 3.28Å
476A95.1Very high97Very high8 Ų815.8 Ų15.87%0.0669%0.094CC..THydrogen-bonded Turntrans-61.9-14-176.500000113.8L194 D195 S474 F478L194-A476 CarbonylContact C-O 3.52Å; L194-A476 VanDerWaalsContact CA-O 3.32Å; L194-A476 WeakPolarHBondContact CA-O 3.32Å; L194-A476 HydrophobicContact CB-CB 4.19Å; L194-A476 HydrophobicContact CD1-CB 4.48Å; D195-A476 PolarHBondContact N-O 3.27Å; S474-A476 VanDerWaalsContact OG-CB 3.28Å; S474-A476 WeakPolarHBondContact OG-CB 3.36Å; S474-A476 PolarHBondContact OG-N 3.12Å; S474-A476 VanDerWaalsContact OG-N 3.13Å; A476-F478 PolarHBondContact O-N 3.24Å
477A93.5Very high97.1Very high28 Ų2815.5 Ų15.523%0.2319%0.091CC..THydrogen-bonded Turntrans-64.4-6.1171.200000113.8P37 L194 T475P37-A477 WeakPolarHBondContact CD-O 3.43Å; P37-A477 VanDerWaalsContact CG-O 3.29Å; P37-A477 WeakPolarHBondContact CG-O 3.42Å; L194-A477 HydrophobicContact CD2-CB 4.06Å; T475-A477 PolarHBondContact O-N 2.93Å
478F95.8Very high97.1Very high29 Ų2915.6 Ų15.613%0.1279%0.091CC..SBendtrans-114.8153.2177.3-59-79.9000112P37 R38 L39 P40 T475 A476 H480 G481 S531P37-F478 HydrophobicContact CB-CD1 4.03Å; P37-F478 HydrophobicContact CB-CE1 4.39Å; P37-F478 HydrophobicContact CG-CD1 3.82Å; P37-F478 HydrophobicContact CG-CE1 4.25Å; P37-F478 CarbonylContact O-C 3.47Å; P37-F478 WeakPolarHBondContact O-CA 3.22Å; P37-F478 WeakPolarHBondContact O-CB 3.32Å; R38-F478 WeakPolarHBondContact O-CD1 3.44Å; L39-F478 HydrophobicContact CB-CB 3.82Å; L39-F478 HydrophobicContact CB-CG 4.21Å; L39-F478 HydrophobicContact CD1-CB 3.99Å; L39-F478 HydrophobicContact CD1-CD2 3.42Å; L39-F478 VanDerWaalsContact CD1-CD2 3.42Å; L39-F478 HydrophobicContact CD1-CE2 4.03Å; L39-F478 HydrophobicContact CD1-CG 3.79Å; P40-F478 HydrophobicContact CG-CE1 4.44Å; P40-F478 HydrophobicContact CG-CZ 4.39Å; T475-F478 WeakPolarHBondContact O-CD2 3.3Å; T475-F478 PolarHBondContact O-N 3.4Å; A476-F478 PolarHBondContact O-N 3.24Å; F478-H480 PolarHBondContact O-N 2.89Å; F478-G481 WeakPolarHBondContact O-CA 3.21Å; F478-G481 PolarHBondContact O-N 3.18Å; F478-S531 WeakPolarHBondContact CE2-O 3.49Å
479K96.5Very high97.1Very high28 Ų2815.5 Ų15.512%0.1229%0.09CC..BIsolated β-bridgetrans-54.4121.3176.1-176.269.3171.9-171.80110.9Q33 D34 L36 P37 G481Q33-K479 VanDerWaalsContact O-CD 3.27Å; Q33-K479 WeakPolarHBondContact O-CD 3.33Å; Q33-K479 PolarHBondContact O-NZ 3.01Å; D34-K479 IonicContact OD1-NZ 2.73Å; L36-K479 HydrophobicContact CB-CB 3.95Å; L36-K479 HydrophobicContact CB-CD 4.35Å; L36-K479 HydrophobicContact CD1-CD 4.43Å; P37-K479 PolarHBondContact O-N 3.38Å; K479-G481 PolarHBondContact O-N 3Å
480H97.4Very high97.1Very high39 Ų3916.5 Ų16.518%0.18110%0.096CC..THydrogen-bonded Turntrans49.234.7-172.2-57.1173.2000113.3H95 T96 S97 T100 D195 F478H95-H480 PolarHBondContact O-CE1 3.39Å; H95-H480 VanDerWaalsContact O-CE1 3.25Å; T96-H480 WeakPolarHBondContact CA-ND1 3.27Å; T96-H480 VanDerWaalsContact CB-ND1 3.32Å; T96-H480 WeakPolarHBondContact CB-ND1 3.22Å; T96-H480 PolarHBondContact OG1-ND1 2.97Å; S97-H480 PolarHBondContact OG-O 3.03Å; T100-H480 HydrophobicContact CG2-CB 4.24Å; T100-H480 VanDerWaalsContact OG1-CB 3.27Å; T100-H480 WeakPolarHBondContact OG1-CB 3.33Å; T100-H480 PolarHBondContact OG1-O 3.19Å; D195-H480 WeakPolarHBondContact OD2-CA 3.31Å; D195-H480 IonicContact OD2-CD2 3.86Å; D195-H480 PolarHBondContact OD2-CD2 3.38Å; D195-H480 PolarHBondContact OD2-N 2.8Å; F478-H480 PolarHBondContact O-N 2.89Å
481G96.1Very high97Very high2 Ų220.8 Ų20.82%0.02112%0.116CC..  trans-54.1148.1170.600000111.3T475 F478 K479T475-G481 WeakPolarHBondContact O-CA 3.41Å; F478-G481 WeakPolarHBondContact O-CA 3.21Å; F478-G481 PolarHBondContact O-N 3.18Å; K479-G481 PolarHBondContact O-N 3Å
482R96.6Very high97Very high1 Ų122.2 Ų22.20%0.00413%0.125CC..  trans-120.8-127.7174.7-62.9-60.2-54.9-106.77.7108.8I99 Q198 D359 T475I99-R482 HydrophobicContact CG2-CB 4.28Å; I99-R482 HydrophobicContact CG2-CG 4.21Å; Q198-R482 VanDerWaalsContact NE2-CD 3.25Å; D359-R482 IonicContact OD1-CZ 2.75Å; D359-R482 VanDerWaalsContact OD1-CZ 3.26Å; D359-R482 IonicContact OD1-NE 3.19Å; D359-R482 PolarHBondContact OD1-NE 2.88Å; D359-R482 IonicContact OD1-NH2 3.83Å; D359-R482 PolarHBondContact OD1-NH2 2.93Å; D359-R482 WeakPolarHBondContact OD2-CA 3.38Å; D359-R482 WeakPolarHBondContact OD2-CD 3.4Å; D359-R482 IonicContact OD2-CZ 3.32Å; D359-R482 IonicContact OD2-NE 2.7Å; D359-R482 PolarHBondContact OD2-NE 2.71Å; D359-R482 IonicContact OD2-NH2 2.72Å; T475-R482 PolarHBondContact N-O 2.9Å; T475-R482 PolarHBondContact OG1-N 3.11Å; T475-R482 PolarHBondContact OG1-O 3.02Å
483T97.2Very high97.1Very high11 Ų1120.5 Ų20.57%0.06711%0.113CC..EExtended strand (participates in β ladder)trans-116.6151.3170.855.10000111.1D359 C473 R538D359-T483 HydrophobicContact CB-CG2 3.92Å; C473-T483 CarbonylContact O-C 3.56Å; C473-T483 VanDerWaalsContact O-CA 3.23Å; C473-T483 WeakPolarHBondContact O-CA 3.28Å; T483-R538 WeakPolarHBondContact O-CD 3.27Å; T483-R538 VanDerWaalsContact O-CG 3.27Å; T483-R538 WeakPolarHBondContact O-CG 3.4Å; T483-R538 PolarHBondContact O-NE 3.43Å; T483-R538 PolarHBondContact O-NH2 2.87Å; T483-R538 PolarHBondContact OG1-NH2 3.25Å
484E98.1Very high97.1Very high2 Ų220.4 Ų20.41%0.00911%0.112CC..EExtended strand (participates in β ladder)trans-113.2163.2161.9-177.755.2-79.600109C473 T475 A530 G535 R538C473-E484 PolarHBondContact N-O 3.19Å; C473-E484 PolarHBondContact O-N 3.47Å; T475-E484 HydrophobicContact CG2-CB 3.85Å; E484-A530 HydrophobicContact CB-CB 4.14Å; E484-A530 HydrophobicContact CG-CB 3.85Å; E484-G535 VanDerWaalsContact OE2-C 3.31Å; E484-G535 WeakPolarHBondContact OE2-CA 3.41Å; E484-R538 WeakPolarHBondContact OE1-CG 3.41Å; E484-R538 PolarHBondContact OE1-N 2.89Å
485T98.4Very high97.3Very high6 Ų623.7 Ų23.74%0.03712%0.121CC..EExtended strand (participates in β ladder)trans-96.4124.3179.4-47.60000110.1Y470 R487 D537 R538 F569Y470-T485 HydrophobicContact CD2-CG2 3.36Å; Y470-T485 HydrophobicContact CE2-CG2 3.61Å; Y470-T485 WeakPolarHBondContact CE2-OG1 3.46Å; Y470-T485 HydrophobicContact CG-CG2 4.29Å; T485-R487 HydrophobicContact CG2-CG 4.45Å; T485-D537 VanDerWaalsContact CB-OD2 3.29Å; T485-D537 WeakPolarHBondContact CB-OD2 3.36Å; T485-D537 WeakPolarHBondContact CG2-OD2 3.4Å; T485-D537 WeakPolarHBondContact OG1-CB 3.02Å; T485-R538 PolarHBondContact OG1-NH1 3.19Å; T485-R538 VanDerWaalsContact OG1-NH1 3.11Å; T485-F569 HydrophobicContact CG2-CE1 4.38Å
486V98.5Very high97.3Very high2 Ų223.5 Ų23.51%0.01212%0.12CC..EExtended strand (participates in β ladder)trans-86.7139.7159.2174.90000107.3E471 C473 P488 L526 V527 A530E471-V486 HydrophobicContact CB-CB 4.01Å; E471-V486 HydrophobicContact CB-CG1 4.46Å; E471-V486 HydrophobicContact CG-CB 4.32Å; E471-V486 PolarHBondContact N-O 3.15Å; E471-V486 VanDerWaalsContact N-O 3.1Å; E471-V486 PolarHBondContact O-N 3.09Å; E471-V486 WeakPolarHBondContact OE2-CG1 3.35Å; C473-V486 HydrophobicContact CB-CG2 3.77Å; V486-P488 VanDerWaalsContact O-CD 3.28Å; V486-P488 WeakPolarHBondContact O-CD 3.42Å; V486-L526 HydrophobicContact CG1-CB 4.06Å; V486-V527 HydrophobicContact CG1-CG2 4.26Å; V486-V527 HydrophobicContact CG2-CB 4.48Å; V486-V527 HydrophobicContact CG2-CG2 4.09Å; V486-A530 HydrophobicContact CG2-CB 3.52Å
487R98.1Very high97.5Very high12 Ų1223.2 Ų23.25%0.04512%0.117CC..  trans-109.291.6176.3-64.8-65-168.6147.7-1109.1T469 T485 A489 F536 D537 A566T469-R487 WeakPolarHBondContact O-CD 3.23Å; T485-R487 HydrophobicContact CG2-CG 4.45Å; R487-A489 VanDerWaalsContact C-N 3.29Å; R487-A489 PolarHBondContact O-N 3.12Å; R487-F536 HydrophobicContact CG-CE1 3.83Å; R487-F536 HydrophobicContact CG-CZ 3.79Å; R487-D537 IonicContact CZ-OD1 3.85Å; R487-D537 IonicContact CZ-OD2 3.78Å; R487-D537 IonicContact NE-OD1 2.7Å; R487-D537 IonicContact NE-OD2 2.79Å; R487-D537 PolarHBondContact NE-OD2 2.66Å; R487-D537 IonicContact NH2-OD1 2.87Å; R487-D537 PolarHBondContact NH2-OD1 2.97Å; R487-D537 IonicContact NH2-OD2 3.27Å; R487-A566 VanDerWaalsContact CZ-O 3.28Å; R487-A566 PolarHBondContact NH1-O 3.14Å; R487-A566 PolarHBondContact NH2-O 3.3Å
488P98.2Very high97.7Very high6 Ų630.3 Ų30.34%0.03914%0.138CC..  trans-65.4-31-177.3-24.134.5000113.8Q452 T469 E471 V486 T490 S493Q452-P488 HydrophobicContact CB-CB 4.16Å; Q452-P488 HydrophobicContact CG-CG 4.4Å; Q452-P488 VanDerWaalsContact OE1-CG 3.25Å; T469-P488 HydrophobicContact CG2-CB 4.07Å; T469-P488 HydrophobicContact CG2-CG 3.76Å; E471-P488 HydrophobicContact CB-CG 3.86Å; V486-P488 VanDerWaalsContact O-CD 3.28Å; V486-P488 WeakPolarHBondContact O-CD 3.42Å; P488-T490 PolarHBondContact O-N 3.1Å; P488-T490 VanDerWaalsContact O-N 3.13Å; P488-S493 PolarHBondContact O-OG 3.3Å
489A98.4Very high97.8Very high2 Ų229.5 Ų29.52%0.01714%0.137CC..  trans-67.3107170.500000109.2P57 T466 R487P57-A489 HydrophobicContact CB-CB 4.35Å; P57-A489 WeakPolarHBondContact CG-O 3.5Å; T466-A489 HydrophobicContact CG2-CB 3.96Å; R487-A489 VanDerWaalsContact C-N 3.29Å; R487-A489 PolarHBondContact O-N 3.12Å
490T98.4Very high97.8Very high22 Ų2229.7 Ų29.714%0.13514%0.139CC..  trans-128.3165.4-179.162.50000110.2P57 P488 T492 S493 N494 V522 L526P57-T490 VanDerWaalsContact CG-C 3.43Å; P488-T490 PolarHBondContact O-N 3.1Å; P488-T490 VanDerWaalsContact O-N 3.13Å; T490-T492 PolarHBondContact O-N 3.36Å; T490-T492 PolarHBondContact OG1-N 3.32Å; T490-S493 PolarHBondContact N-OG 3.14Å; T490-S493 PolarHBondContact O-N 3.35Å; T490-S493 PolarHBondContact O-OG 3.12Å; T490-S493 VanDerWaalsContact O-OG 3.05Å; T490-S493 WeakPolarHBondContact OG1-CB 3.11Å; T490-S493 PolarHBondContact OG1-N 2.71Å; T490-S493 PolarHBondContact OG1-OG 3.01Å; T490-N494 WeakPolarHBondContact O-CB 3.4Å; T490-N494 PolarHBondContact O-N 2.75Å; T490-V522 HydrophobicContact CG2-CG1 4.28Å; T490-L526 HydrophobicContact CG2-CD1 3.57Å
491K97.5Very high97.8Very high124 Ų12429.9 Ų29.954%0.53914%0.141SC..Hα-helixtrans-55.4-38.8170.3-71.9-176.2175.7-178.20111.4R56 H495R56-K491 HydrophobicContact CG-CD 4.44Å; R56-K491 HydrophobicContact CG-CG 4.4Å; K491-H495 WeakPolarHBondContact O-CB 3.46Å; K491-H495 PolarHBondContact O-N 3.32Å
492T98Very high97.8Very high37 Ų3732.9 Ų32.923%0.22716%0.157CC..Hα-helixtrans-68.9-46.9-179.4-52.10000112T490 N494 H495 F496 H518 V522T490-T492 PolarHBondContact O-N 3.36Å; T490-T492 PolarHBondContact OG1-N 3.32Å; T492-N494 VanDerWaalsContact C-N 3.34Å; T492-N494 PolarHBondContact O-N 2.95Å; T492-H495 PolarHBondContact O-N 3.31Å; T492-F496 PolarHBondContact O-N 2.89Å; T492-H518 WeakPolarHBondContact CG2-CD2 3.07Å; T492-V522 HydrophobicContact CG2-CG2 4.24Å
493S98.3Very high97.6Very high4 Ų438.7 Ų38.73%0.02819%0.192CC..Hα-helixtrans-64-40.5176.866.30000111.2P488 T490 F496 V497P488-S493 PolarHBondContact O-OG 3.3Å; T490-S493 PolarHBondContact N-OG 3.14Å; T490-S493 PolarHBondContact O-N 3.35Å; T490-S493 PolarHBondContact O-OG 3.12Å; T490-S493 VanDerWaalsContact O-OG 3.05Å; T490-S493 WeakPolarHBondContact OG1-CB 3.11Å; T490-S493 PolarHBondContact OG1-N 2.71Å; T490-S493 PolarHBondContact OG1-OG 3.01Å; S493-F496 WeakPolarHBondContact O-CB 3.48Å; S493-F496 PolarHBondContact O-N 3.02Å; S493-V497 WeakPolarHBondContact O-CG2 3.41Å; S493-V497 PolarHBondContact O-N 3.44Å
494N97.8Very high97.4Very high10 Ų1046.3 Ų46.35%0.05323%0.227CC..Hα-helixtrans-64.3-40.1176-87.2-0000113.6P57 T466 T490 T492 F496 V497 R498P57-N494 VanDerWaalsContact C-ND2 3.33Å; P57-N494 VanDerWaalsContact CA-ND2 3.27Å; P57-N494 WeakPolarHBondContact CA-ND2 3.48Å; P57-N494 VanDerWaalsContact CB-ND2 3.29Å; P57-N494 WeakPolarHBondContact CB-ND2 3.08Å; P57-N494 PolarHBondContact O-ND2 2.84Å; T466-N494 WeakPolarHBondContact CB-OD1 3.38Å; T466-N494 WeakPolarHBondContact CG2-OD1 3.27Å; T466-N494 PolarHBondContact OG1-ND2 3.32Å; T466-N494 PolarHBondContact OG1-OD1 3.17Å; T490-N494 WeakPolarHBondContact O-CB 3.4Å; T490-N494 PolarHBondContact O-N 2.75Å; T492-N494 VanDerWaalsContact C-N 3.34Å; T492-N494 PolarHBondContact O-N 2.95Å; N494-F496 VanDerWaalsContact C-N 3.32Å; N494-V497 PolarHBondContact O-N 3.19Å; N494-R498 WeakPolarHBondContact O-CB 2.9Å; N494-R498 WeakPolarHBondContact O-CG 3.5Å; N494-R498 PolarHBondContact O-N 2.81Å
495H97.7Very high97.1Very high121 Ų12149.7 Ų49.756%0.5625%0.25SS*.Hα-helixtrans-61-46.1174.6-172.5173.1000109.8K491 T492 V497 R498 A499 M515K491-H495 WeakPolarHBondContact O-CB 3.46Å; K491-H495 PolarHBondContact O-N 3.32Å; T492-H495 PolarHBondContact O-N 3.31Å; H495-V497 PolarHBondContact O-N 2.97Å; H495-R498 PolarHBondContact O-N 3.11Å; H495-A499 WeakPolarHBondContact O-CB 3.4Å; H495-A499 PolarHBondContact O-N 3.18Å; H495-M515 HydrophobicContact CB-CE 4.37Å; H495-M515 VanDerWaalsContact CD2-CE 3.41Å; H495-M515 WeakPolarHBondContact CD2-CE 3.5Å
496F98.5Very high96.8Very high0 Ų054 Ų540%028%0.279CS..Hα-helixtrans-59.4-46.9174.3176.5-89.2000112.8L453 V457 T492 S493 N494 R498 A499 L500 L512 M515 L516 L632 I635L453-F496 HydrophobicContact CD1-CD1 3.69Å; L453-F496 HydrophobicContact CD1-CE1 4.32Å; L453-F496 HydrophobicContact CD1-CG 4.32Å; L453-F496 HydrophobicContact CD2-CD1 3.74Å; L453-F496 HydrophobicContact CD2-CE1 3.73Å; L453-F496 HydrophobicContact CD2-CG 4.21Å; L453-F496 HydrophobicContact CD2-CZ 4.2Å; L453-F496 HydrophobicContact CG-CD1 3.89Å; L453-F496 HydrophobicContact CG-CE1 4Å; V457-F496 HydrophobicContact CG2-CD1 4.25Å; V457-F496 HydrophobicContact CG2-CE1 3.96Å; T492-F496 PolarHBondContact O-N 2.89Å; S493-F496 WeakPolarHBondContact O-CB 3.48Å; S493-F496 PolarHBondContact O-N 3.02Å; N494-F496 VanDerWaalsContact C-N 3.32Å; F496-R498 VanDerWaalsContact C-N 3.35Å; F496-R498 PolarHBondContact O-N 3.06Å; F496-A499 PolarHBondContact O-N 2.94Å; F496-L500 HydrophobicContact CE1-CB 4.3Å; F496-L500 HydrophobicContact CE1-CD2 3.74Å; F496-L500 HydrophobicContact CZ-CD2 4.03Å; F496-L500 WeakPolarHBondContact O-CB 3.47Å; F496-L500 PolarHBondContact O-N 2.96Å; F496-L512 HydrophobicContact CE2-CB 4.44Å; F496-L512 WeakPolarHBondContact CE2-O 3.24Å; F496-M515 HydrophobicContact CB-CE 4.38Å; F496-M515 HydrophobicContact CD2-CB 3.72Å; F496-L516 HydrophobicContact CD2-CB 4.36Å; F496-L516 HydrophobicContact CE2-CB 3.77Å; F496-L516 HydrophobicContact CE2-CG 4.46Å; F496-L516 HydrophobicContact CZ-CB 4.27Å; F496-L516 HydrophobicContact CZ-CD1 4.37Å; F496-L516 HydrophobicContact CZ-CG 4.48Å; F496-L632 HydrophobicContact CE1-CD1 3.89Å; F496-L632 HydrophobicContact CE1-CG 4.38Å; F496-L632 HydrophobicContact CZ-CD1 4.05Å; F496-L632 HydrophobicContact CZ-CG 4.28Å; F496-I635 HydrophobicContact CZ-CD1 4.17Å
497V98.4Very high96.7Very high1 Ų156.5 Ų56.51%0.00629%0.292CS..Hα-helixtrans-57.6-47.3178.61690000111Q456 V457 N460 S493 N494 H495 L500 L501Q456-V497 HydrophobicContact CB-CG2 4.01Å; V457-V497 HydrophobicContact CG2-CG2 3.78Å; N460-V497 HydrophobicContact CB-CG1 3.43Å; N460-V497 VanDerWaalsContact CB-CG1 3.43Å; N460-V497 VanDerWaalsContact CG-CG1 3.46Å; S493-V497 WeakPolarHBondContact O-CG2 3.41Å; S493-V497 PolarHBondContact O-N 3.44Å; N494-V497 PolarHBondContact O-N 3.19Å; H495-V497 PolarHBondContact O-N 2.97Å; V497-L500 PolarHBondContact O-N 3.18Å; V497-L501 HydrophobicContact CG1-CD1 3.9Å; V497-L501 WeakPolarHBondContact O-CB 3.49Å; V497-L501 WeakPolarHBondContact O-CG 3.24Å; V497-L501 PolarHBondContact O-N 3.15Å
498R96.9Very high96.6Very high177 Ų17760 Ų6067%0.66832%0.316SS*.Hα-helixtrans-61.8-46.6177.1-71.3175.5-177.2-179.7-0.8111.8N494 H495 F496 L500 L501 D502N494-R498 WeakPolarHBondContact O-CB 2.9Å; N494-R498 WeakPolarHBondContact O-CG 3.5Å; N494-R498 PolarHBondContact O-N 2.81Å; H495-R498 PolarHBondContact O-N 3.11Å; F496-R498 VanDerWaalsContact C-N 3.35Å; F496-R498 PolarHBondContact O-N 3.06Å; R498-L500 VanDerWaalsContact C-N 3.32Å; R498-L500 PolarHBondContact O-N 2.76Å; R498-L501 PolarHBondContact O-N 2.81Å; R498-D502 WeakPolarHBondContact O-CB 3.35Å; R498-D502 PolarHBondContact O-N 2.79Å
499A97.8Very high96.4Very high12 Ų1264.9 Ų64.910%0.09934%0.336CS..Hα-helixtrans-65.6-33.5179.800000113.2H495 F496 L507 L512 M515H495-A499 WeakPolarHBondContact O-CB 3.4Å; H495-A499 PolarHBondContact O-N 3.18Å; F496-A499 PolarHBondContact O-N 2.94Å; A499-L507 HydrophobicContact CB-CD1 3.82Å; A499-L507 HydrophobicContact CB-CG 4.49Å; A499-L512 HydrophobicContact CB-CD2 4.06Å; A499-M515 HydrophobicContact CB-CE 3.8Å; A499-M515 HydrophobicContact CB-SD 4.11Å
500L98Very high96.3Very high32 Ų3267.2 Ų67.217%0.16836%0.356CS..Hα-helixtrans-73.2-37.8177.1-179.961.8000112.2V457 F496 V497 R498 L512 L632 I635V457-L500 HydrophobicContact CB-CD2 4.44Å; V457-L500 HydrophobicContact CG1-CD2 3.67Å; V457-L500 HydrophobicContact CG2-CD2 3.84Å; F496-L500 HydrophobicContact CE1-CB 4.3Å; F496-L500 HydrophobicContact CE1-CD2 3.74Å; F496-L500 HydrophobicContact CZ-CD2 4.03Å; F496-L500 WeakPolarHBondContact O-CB 3.47Å; F496-L500 PolarHBondContact O-N 2.96Å; V497-L500 PolarHBondContact O-N 3.18Å; R498-L500 VanDerWaalsContact C-N 3.32Å; R498-L500 PolarHBondContact O-N 2.76Å; L500-L512 HydrophobicContact CD1-CD1 4.25Å; L500-L632 HydrophobicContact CD2-CD1 3.83Å; L500-I635 HydrophobicContact CD1-CD1 3.72Å
501L97.3Very high96.2Very high44 Ų4470.6 Ų70.623%0.2337%0.37CS..Hα-helixtrans-92.1-3.2-176.2-60.4180000113.4V457 N460 R461 V497 R498 V503V457-L501 HydrophobicContact CG1-CD2 4.23Å; N460-L501 HydrophobicContact CB-CD1 4.15Å; N460-L501 WeakPolarHBondContact OD1-CD1 3.25Å; R461-L501 HydrophobicContact CB-CD1 4.15Å; R461-L501 HydrophobicContact CB-CD2 4.21Å; R461-L501 HydrophobicContact CG-CD2 4.39Å; V497-L501 HydrophobicContact CG1-CD1 3.9Å; V497-L501 WeakPolarHBondContact O-CB 3.49Å; V497-L501 WeakPolarHBondContact O-CG 3.24Å; V497-L501 PolarHBondContact O-N 3.15Å; R498-L501 PolarHBondContact O-N 2.81Å; L501-V503 PolarHBondContact O-N 3.37Å; L501-V503 VanDerWaalsContact O-N 3.16Å
502D95.6Very high96.2Very high65 Ų6565.3 Ų65.335%0.34835%0.348SS..  trans-75.3100.3175.1-173.5-3.7000111.1R498 Q504 S505R498-D502 WeakPolarHBondContact O-CB 3.35Å; R498-D502 PolarHBondContact O-N 2.79Å; D502-Q504 VanDerWaalsContact C-N 3.34Å; D502-Q504 WeakPolarHBondContact OD1-CA 3.45Å; D502-Q504 WeakPolarHBondContact OD1-CB 3.5Å; D502-Q504 PolarHBondContact OD1-N 2.79Å; D502-S505 PolarHBondContact OD1-N 2.83Å
503V91.4Very high96.2Very high122 Ų12265.9 Ų65.974%0.73935%0.347SS*.SBendtrans-79.1-15.8176-62.40000113.4L501L501-V503 PolarHBondContact O-N 3.37Å; L501-V503 VanDerWaalsContact O-N 3.16Å
504Q93.2Very high96.2Very high171 Ų17173.1 Ų73.180%0.79938%0.378SS*.SBendtrans-85.4-35.2-177.1-62.3-62.6-28.700111.6D502D502-Q504 VanDerWaalsContact C-N 3.34Å; D502-Q504 WeakPolarHBondContact OD1-CA 3.45Å; D502-Q504 WeakPolarHBondContact OD1-CB 3.5Å; D502-Q504 PolarHBondContact OD1-N 2.79Å
505S92.3Very high96.2Very high73 Ų7374.1 Ų74.151%0.5138%0.383SS..SBendtrans-134.668179.3-177.30000111.9D502 L507D502-S505 PolarHBondContact OD1-N 2.83Å; S505-L507 PolarHBondContact O-N 3.28Å
506P93.1Very high96.2Very high97 Ų9768.4 Ų68.463%0.6336%0.356SS*.PPolyproline II helixtrans-64.2127.6-175.826.8-34.8000111.7
507L95.4Very high96.2Very high55 Ų5570.8 Ų70.829%0.28837%0.369SS..PPolyproline II helixtrans-75.4150174.5-64.1-173.7000111.8A499 S505 L512 M515A499-L507 HydrophobicContact CB-CD1 3.82Å; A499-L507 HydrophobicContact CB-CG 4.49Å; S505-L507 PolarHBondContact O-N 3.28Å; L507-L512 HydrophobicContact CB-CD2 4.22Å; L507-L512 HydrophobicContact CB-CG 4.18Å; L507-L512 HydrophobicContact CD1-CD2 4.47Å; L507-M515 HydrophobicContact CD1-SD 3.96Å
508P95.5Very high96.2Very high85 Ų8575.5 Ų75.555%0.55239%0.391SS*.PPolyproline II helixtrans-56.8141.8171.3-2333.4000111.9A510 E511 L512P508-A510 PolarHBondContact O-N 3.05Å; P508-A510 VanDerWaalsContact O-N 3.09Å; P508-E511 WeakPolarHBondContact O-CA 3.32Å; P508-E511 WeakPolarHBondContact O-CB 3.25Å; P508-E511 PolarHBondContact O-N 3.47Å; P508-L512 PolarHBondContact O-N 3.43Å; P508-L512 VanDerWaalsContact O-N 3.15Å
509K95.4Very high96.3Very high108 Ų10867.4 Ų67.447%0.4736%0.361SS..Hα-helixtrans-54.4-34.4179.5-70.1-167.9178.1-173.70113.4E511 L512 K513 S634K509-E511 VanDerWaalsContact C-N 3.26Å; K509-E511 PolarHBondContact O-N 2.95Å; K509-L512 PolarHBondContact O-N 2.9Å; K509-K513 VanDerWaalsContact O-CB 3.3Å; K509-K513 WeakPolarHBondContact O-CB 3.42Å; K509-K513 PolarHBondContact O-N 3Å; K509-S634 PolarHBondContact NZ-OG 2.95Å
510A96Very high96.3Very high52 Ų5267.2 Ų67.243%0.4336%0.359SS..Hα-helixtrans-61.6-34.217600000112.8P508 K514P508-A510 PolarHBondContact O-N 3.05Å; P508-A510 VanDerWaalsContact O-N 3.09Å; A510-K514 WeakPolarHBondContact O-CG 3.47Å; A510-K514 PolarHBondContact O-N 3.32Å
511E96.6Very high96.3Very high92 Ų9273 Ų7343%0.4338%0.383SS..Hα-helixtrans-76.7-44.5177.6-154.2171-159.300110.9P508 K509 K513 K514 M515P508-E511 WeakPolarHBondContact O-CA 3.32Å; P508-E511 WeakPolarHBondContact O-CB 3.25Å; P508-E511 PolarHBondContact O-N 3.47Å; K509-E511 VanDerWaalsContact C-N 3.26Å; K509-E511 PolarHBondContact O-N 2.95Å; E511-K513 VanDerWaalsContact C-N 3.26Å; E511-K513 PolarHBondContact O-N 2.82Å; E511-K514 WeakPolarHBondContact O-CB 3.28Å; E511-K514 PolarHBondContact O-N 3.25Å; E511-K514 VanDerWaalsContact O-N 3.09Å; E511-M515 WeakPolarHBondContact O-CG 3.49Å; E511-M515 PolarHBondContact O-N 2.92Å
512L97.8Very high96.3Very high13 Ų1372.6 Ų72.67%0.06838%0.382CS..Hα-helixtrans-57-39.3171.3-66.5174.5000111.8F496 A499 L500 L507 P508 K509 M515 L516 I635F496-L512 HydrophobicContact CE2-CB 4.44Å; F496-L512 WeakPolarHBondContact CE2-O 3.24Å; A499-L512 HydrophobicContact CB-CD2 4.06Å; L500-L512 HydrophobicContact CD1-CD1 4.25Å; L507-L512 HydrophobicContact CB-CD2 4.22Å; L507-L512 HydrophobicContact CB-CG 4.18Å; L507-L512 HydrophobicContact CD1-CD2 4.47Å; P508-L512 PolarHBondContact O-N 3.43Å; P508-L512 VanDerWaalsContact O-N 3.15Å; K509-L512 PolarHBondContact O-N 2.9Å; L512-M515 HydrophobicContact CD2-SD 4.39Å; L512-M515 PolarHBondContact O-N 3.47Å; L512-L516 WeakPolarHBondContact O-CB 3.23Å; L512-L516 PolarHBondContact O-N 3.36Å; L512-I635 HydrophobicContact CB-CD1 4.09Å; L512-I635 HydrophobicContact CB-CG1 4.33Å; L512-I635 HydrophobicContact CB-CG2 4.02Å; L512-I635 HydrophobicContact CD1-CD1 4.11Å; L512-I635 HydrophobicContact CD1-CG1 4.44Å
513K97.9Very high96.5Very high50 Ų5070 Ų7022%0.21737%0.368CS..Hα-helixtrans-62.3-43.1175.8-173.6178.5179.7-1800111.5K509 E511 M515 L516 L517 I635 S638 G639K509-K513 VanDerWaalsContact O-CB 3.3Å; K509-K513 WeakPolarHBondContact O-CB 3.42Å; K509-K513 PolarHBondContact O-N 3Å; E511-K513 VanDerWaalsContact C-N 3.26Å; E511-K513 PolarHBondContact O-N 2.82Å; K513-M515 VanDerWaalsContact C-N 3.35Å; K513-M515 PolarHBondContact O-N 3.22Å; K513-L516 PolarHBondContact O-N 3.34Å; K513-L517 HydrophobicContact CG-CD1 4.47Å; K513-L517 VanDerWaalsContact O-CG 3.32Å; K513-L517 WeakPolarHBondContact O-CG 3.45Å; K513-L517 PolarHBondContact O-N 3.41Å; K513-I635 VanDerWaalsContact CA-CG2 3.47Å; K513-I635 HydrophobicContact CB-CG2 3.76Å; K513-I635 HydrophobicContact CG-CG2 4.5Å; K513-S638 PolarHBondContact NZ-O 3.33Å; K513-G639 PolarHBondContact NZ-OXT 3.47Å
514K97.4Very high96.8Very high155 Ų15566.6 Ų66.667%0.67435%0.349SS*.Hα-helixtrans-61.2-44173.9-69.8174.6-171.5175.90111.3A510 E511 H518A510-K514 WeakPolarHBondContact O-CG 3.47Å; A510-K514 PolarHBondContact O-N 3.32Å; E511-K514 WeakPolarHBondContact O-CB 3.28Å; E511-K514 PolarHBondContact O-N 3.25Å; E511-K514 VanDerWaalsContact O-N 3.09Å; K514-H518 WeakPolarHBondContact O-CB 3.24Å; K514-H518 PolarHBondContact O-N 2.79Å
515M98.3Very high97Very high31 Ų3161 Ų6115%0.15333%0.33CS..Hα-helixtrans-64.3-43.1177.6-65.3174.37900112.1H495 F496 A499 L507 E511 L512 K513 H518 C519H495-M515 HydrophobicContact CB-CE 4.37Å; H495-M515 VanDerWaalsContact CD2-CE 3.41Å; H495-M515 WeakPolarHBondContact CD2-CE 3.5Å; F496-M515 HydrophobicContact CB-CE 4.38Å; F496-M515 HydrophobicContact CD2-CB 3.72Å; A499-M515 HydrophobicContact CB-CE 3.8Å; A499-M515 HydrophobicContact CB-SD 4.11Å; L507-M515 HydrophobicContact CD1-SD 3.96Å; E511-M515 WeakPolarHBondContact O-CG 3.49Å; E511-M515 PolarHBondContact O-N 2.92Å; L512-M515 HydrophobicContact CD2-SD 4.39Å; L512-M515 PolarHBondContact O-N 3.47Å; K513-M515 VanDerWaalsContact C-N 3.35Å; K513-M515 PolarHBondContact O-N 3.22Å; M515-H518 WeakPolarHBondContact O-CB 3.27Å; M515-H518 PolarHBondContact O-N 2.99Å; M515-C519 PolarHBondContact O-N 2.76Å; M515-C519 PolarHBondContact O-SG 2.75Å
516L98.4Very high97.3Very high1 Ų159.9 Ų59.91%0.00532%0.317CS..Hα-helixtrans-60.3-50177.1-173166.7000111.1V445 L453 F496 L512 K513 H518 C519 S520 L632 I635 L636V445-L516 HydrophobicContact CG2-CD2 3.79Å; L453-L516 HydrophobicContact CD2-CG 4.06Å; F496-L516 HydrophobicContact CD2-CB 4.36Å; F496-L516 HydrophobicContact CE2-CB 3.77Å; F496-L516 HydrophobicContact CE2-CG 4.46Å; F496-L516 HydrophobicContact CZ-CB 4.27Å; F496-L516 HydrophobicContact CZ-CD1 4.37Å; F496-L516 HydrophobicContact CZ-CG 4.48Å; L512-L516 WeakPolarHBondContact O-CB 3.23Å; L512-L516 PolarHBondContact O-N 3.36Å; K513-L516 PolarHBondContact O-N 3.34Å; L516-H518 PolarHBondContact O-N 3.46Å; L516-C519 WeakPolarHBondContact O-CB 3.37Å; L516-C519 PolarHBondContact O-N 3.1Å; L516-C519 VanDerWaalsContact O-N 3.16Å; L516-S520 PolarHBondContact O-N 3.12Å; L516-L632 HydrophobicContact CD1-CB 4.12Å; L516-L632 HydrophobicContact CD1-CG 3.9Å; L516-I635 HydrophobicContact CD1-CB 4.39Å; L516-I635 HydrophobicContact CD1-CG2 4.11Å; L516-L636 HydrophobicContact CD1-CD2 4.18Å; L516-L636 HydrophobicContact CD1-CG 4.16Å; L516-L636 HydrophobicContact CD2-CD2 3.82Å; L516-L636 HydrophobicContact CD2-CG 4.44Å
517L97.8Very high97.4Very high51 Ų5157.1 Ų57.127%0.26730%0.299SS..Hα-helixtrans-61.7-35.1176.6-67.9175.6000111.7V445 K513 K521 L636V445-L517 HydrophobicContact CB-CD2 4.4Å; K513-L517 HydrophobicContact CG-CD1 4.47Å; K513-L517 VanDerWaalsContact O-CG 3.32Å; K513-L517 WeakPolarHBondContact O-CG 3.45Å; K513-L517 PolarHBondContact O-N 3.41Å; L517-K521 WeakPolarHBondContact O-CG 3.26Å; L517-K521 PolarHBondContact O-N 2.56Å; L517-L636 HydrophobicContact CD2-CD2 4.48Å
518H98.2Very high97.4Very high99 Ų9960.9 Ų60.946%0.45831%0.313SS..Hα-helixtrans-67.9-43.2174-174.551.4000112.2T492 K514 M515 L516 S520 K521 V522T492-H518 WeakPolarHBondContact CG2-CD2 3.07Å; K514-H518 WeakPolarHBondContact O-CB 3.24Å; K514-H518 PolarHBondContact O-N 2.79Å; M515-H518 WeakPolarHBondContact O-CB 3.27Å; M515-H518 PolarHBondContact O-N 2.99Å; L516-H518 PolarHBondContact O-N 3.46Å; H518-S520 VanDerWaalsContact C-N 3.29Å; H518-S520 PolarHBondContact O-N 2.7Å; H518-K521 PolarHBondContact O-N 3.02Å; H518-K521 VanDerWaalsContact O-N 3.15Å; H518-V522 WeakPolarHBondContact O-CG2 3.45Å; H518-V522 PolarHBondContact O-N 3.43Å
519C98.6Very high97.5Very high7 Ų759.8 Ų59.85%0.04730%0.3CS..Hα-helixtrans-55.2-46173.2-67.50000111.2L453 M515 L516 K521 V522 H523L453-C519 HydrophobicContact CD1-CB 4.23Å; L453-C519 HydrophobicContact CD2-CB 3.86Å; M515-C519 PolarHBondContact O-N 2.76Å; M515-C519 PolarHBondContact O-SG 2.75Å; L516-C519 WeakPolarHBondContact O-CB 3.37Å; L516-C519 PolarHBondContact O-N 3.1Å; L516-C519 VanDerWaalsContact O-N 3.16Å; C519-K521 VanDerWaalsContact C-N 3.34Å; C519-K521 PolarHBondContact O-N 2.89Å; C519-V522 PolarHBondContact O-N 2.99Å; C519-H523 WeakPolarHBondContact O-CB 3.24Å; C519-H523 PolarHBondContact O-N 2.94Å
520S98.1Very high97.6Very high9 Ų954.8 Ų54.86%0.06328%0.279CS..Hα-helixtrans-60.3-40.6177.4174.60000112.9V445 S446 L516 H518 S524V445-S520 VanDerWaalsContact CG2-CB 3.5Å; S446-S520 WeakPolarHBondContact CB-OG 3.46Å; S446-S520 PolarHBondContact N-OG 3.42Å; L516-S520 PolarHBondContact O-N 3.12Å; H518-S520 VanDerWaalsContact C-N 3.29Å; H518-S520 PolarHBondContact O-N 2.7Å; S520-S524 WeakPolarHBondContact O-CB 3.31Å; S520-S524 PolarHBondContact O-N 3.28Å; S520-S524 PolarHBondContact O-OG 3.31Å
521K98.1Very high97.5Very high153 Ų15354.4 Ų54.467%0.66527%0.273SS*.Hα-helixtrans-65.7-42.3176.1-72176-177.8178.80112.1L517 H518 C519 S525L517-K521 WeakPolarHBondContact O-CG 3.26Å; L517-K521 PolarHBondContact O-N 2.56Å; H518-K521 PolarHBondContact O-N 3.02Å; H518-K521 VanDerWaalsContact O-N 3.15Å; C519-K521 VanDerWaalsContact C-N 3.34Å; C519-K521 PolarHBondContact O-N 2.89Å; K521-S525 PolarHBondContact O-N 2.91Å
522V98.4Very high97.4Very high36 Ų3653 Ų5322%0.21827%0.267CS..Hα-helixtrans-62.5-49.9177.2171.50000110.2T490 T492 H518 C519 S524 S525 L526T490-V522 HydrophobicContact CG2-CG1 4.28Å; T492-V522 HydrophobicContact CG2-CG2 4.24Å; H518-V522 WeakPolarHBondContact O-CG2 3.45Å; H518-V522 PolarHBondContact O-N 3.43Å; C519-V522 PolarHBondContact O-N 2.99Å; V522-S524 PolarHBondContact O-N 3.27Å; V522-S525 WeakPolarHBondContact O-CB 3.32Å; V522-S525 PolarHBondContact O-N 2.97Å; V522-S525 VanDerWaalsContact O-N 3.12Å; V522-L526 HydrophobicContact CG1-CD1 4.41Å; V522-L526 WeakPolarHBondContact O-CG 3.32Å; V522-L526 PolarHBondContact O-N 3.36Å
523H98.5Very high97.3Very high11 Ų1152.4 Ų52.45%0.05127%0.265CS..Hα-helixtrans-58.6-48.1178-178.7-81.6000111.9D448 G449 E471 C519 S525 L526 V527D448-H523 IonicContact OD2-CE1 2.66Å; D448-H523 PolarHBondContact OD2-CE1 3.16Å; D448-H523 IonicContact OD2-ND1 3.12Å; G449-H523 WeakPolarHBondContact CA-ND1 3.45Å; E471-H523 IonicContact OE1-CE1 3.52Å; E471-H523 IonicContact OE1-NE2 3.47Å; E471-H523 IonicContact OE2-CD2 2.7Å; E471-H523 IonicContact OE2-CE1 2.65Å; E471-H523 PolarHBondContact OE2-CE1 2.77Å; E471-H523 IonicContact OE2-NE2 2.82Å; E471-H523 PolarHBondContact OE2-NE2 3.45Å; C519-H523 WeakPolarHBondContact O-CB 3.24Å; C519-H523 PolarHBondContact O-N 2.94Å; H523-S525 PolarHBondContact O-N 3.29Å; H523-L526 WeakPolarHBondContact O-CA 3.29Å; H523-L526 WeakPolarHBondContact O-CB 3.41Å; H523-L526 PolarHBondContact O-N 3.37Å; H523-V527 VanDerWaalsContact CE1-CG2 3.44Å; H523-V527 WeakPolarHBondContact CE1-CG2 3.09Å; H523-V527 PolarHBondContact O-N 2.87Å
524S97.5Very high97.3Very high49 Ų4955.2 Ų55.234%0.34328%0.277SS..Hα-helixtrans-60.9-32.2176.3-63.40000113.1S520 V522 K528S520-S524 WeakPolarHBondContact O-CB 3.31Å; S520-S524 PolarHBondContact O-N 3.28Å; S520-S524 PolarHBondContact O-OG 3.31Å; V522-S524 PolarHBondContact O-N 3.27Å; S524-K528 WeakPolarHBondContact O-CB 3.11Å; S524-K528 PolarHBondContact O-N 2.8Å; S524-K528 VanDerWaalsContact O-N 3.1Å
525S97.6Very high97.2Very high55 Ų5548.3 Ų48.339%0.38525%0.25SC..Hα-helixtrans-67.5-40.8172.7-168.30000112K521 V522 H523 K528 Q529K521-S525 PolarHBondContact O-N 2.91Å; V522-S525 WeakPolarHBondContact O-CB 3.32Å; V522-S525 PolarHBondContact O-N 2.97Å; V522-S525 VanDerWaalsContact O-N 3.12Å; H523-S525 PolarHBondContact O-N 3.29Å; S525-K528 PolarHBondContact O-N 2.85Å; S525-Q529 VanDerWaalsContact O-CG 3.27Å; S525-Q529 WeakPolarHBondContact O-CG 3.39Å; S525-Q529 PolarHBondContact O-N 3.06Å; S525-Q529 PolarHBondContact OG-NE2 3.25Å
526L97.9Very high97.2Very high48 Ų4847.5 Ų47.525%0.25125%0.245SC..Hα-helixtrans-63.9-45.7176.4-66.9172.9000111.4V486 T490 V522 H523 K528 Q529 A530V486-L526 HydrophobicContact CG1-CB 4.06Å; T490-L526 HydrophobicContact CG2-CD1 3.57Å; V522-L526 HydrophobicContact CG1-CD1 4.41Å; V522-L526 WeakPolarHBondContact O-CG 3.32Å; V522-L526 PolarHBondContact O-N 3.36Å; H523-L526 WeakPolarHBondContact O-CA 3.29Å; H523-L526 WeakPolarHBondContact O-CB 3.41Å; H523-L526 PolarHBondContact O-N 3.37Å; L526-K528 VanDerWaalsContact C-N 3.33Å; L526-K528 PolarHBondContact O-N 3.32Å; L526-Q529 PolarHBondContact O-N 3.17Å; L526-Q529 VanDerWaalsContact O-N 3.1Å; L526-A530 WeakPolarHBondContact O-CB 3.39Å; L526-A530 PolarHBondContact O-N 3.42Å
527V97.2Very high97.2Very high40 Ų4047.8 Ų47.824%0.24225%0.247CC..Hα-helixtrans-56.1-47.8174.3175.40000110.7V486 H523 Q529 A530 S531V486-V527 HydrophobicContact CG1-CG2 4.26Å; V486-V527 HydrophobicContact CG2-CB 4.48Å; V486-V527 HydrophobicContact CG2-CG2 4.09Å; H523-V527 VanDerWaalsContact CE1-CG2 3.44Å; H523-V527 WeakPolarHBondContact CE1-CG2 3.09Å; H523-V527 PolarHBondContact O-N 2.87Å; V527-Q529 VanDerWaalsContact C-N 3.32Å; V527-Q529 PolarHBondContact O-N 2.61Å; V527-A530 PolarHBondContact O-N 2.73Å; V527-S531 WeakPolarHBondContact O-CB 3.44Å; V527-S531 PolarHBondContact O-N 2.74Å
528K95.5Very high97.2Very high134 Ų13445.9 Ų45.958%0.58324%0.236SC*.Hα-helixtrans-60.9-39.8176.4-170.4-173177.8175.50112.3S524 S525 L526 S531 M532S524-K528 WeakPolarHBondContact O-CB 3.11Å; S524-K528 PolarHBondContact O-N 2.8Å; S524-K528 VanDerWaalsContact O-N 3.1Å; S525-K528 PolarHBondContact O-N 2.85Å; L526-K528 VanDerWaalsContact C-N 3.33Å; L526-K528 PolarHBondContact O-N 3.32Å; K528-S531 PolarHBondContact O-OG 3.34Å; K528-S531 VanDerWaalsContact O-OG 3.12Å; K528-M532 HydrophobicContact CG-CE 4.06Å; K528-M532 VanDerWaalsContact O-CE 3.31Å; K528-M532 WeakPolarHBondContact O-CE 3.48Å; K528-M532 VanDerWaalsContact O-CG 3.26Å; K528-M532 WeakPolarHBondContact O-CG 3.22Å; K528-M532 PolarHBondContact O-N 3.47Å
529Q96.1Very high97.2Very high62 Ų6241.1 Ų41.129%0.2921%0.214SC..Hα-helixtrans-67.9-46.1178-73.2175.736.600111.4S525 L526 V527 M532 G533 K534S525-Q529 VanDerWaalsContact O-CG 3.27Å; S525-Q529 WeakPolarHBondContact O-CG 3.39Å; S525-Q529 PolarHBondContact O-N 3.06Å; S525-Q529 PolarHBondContact OG-NE2 3.25Å; L526-Q529 PolarHBondContact O-N 3.17Å; L526-Q529 VanDerWaalsContact O-N 3.1Å; V527-Q529 VanDerWaalsContact C-N 3.32Å; V527-Q529 PolarHBondContact O-N 2.61Å; Q529-M532 CarbonylContact O-C 3.54Å; Q529-M532 PolarHBondContact O-N 3.18Å; Q529-M532 VanDerWaalsContact O-N 3.17Å; Q529-G533 PolarHBondContact O-N 2.88Å; Q529-K534 HydrophobicContact CB-CB 4.21Å; Q529-K534 WeakPolarHBondContact O-CA 3.44Å; Q529-K534 VanDerWaalsContact O-CB 3.32Å; Q529-K534 WeakPolarHBondContact O-CB 3.35Å; Q529-K534 PolarHBondContact O-N 2.78Å
530A97.4Very high97.2Very high2 Ų241 Ų412%0.01721%0.213CC..Hα-helixtrans-60.2-46177.300000111.3C473 T475 E484 V486 L526 V527 M532 G533C473-A530 HydrophobicContact CB-CB 3.82Å; T475-A530 WeakPolarHBondContact CG2-O 3.28Å; E484-A530 HydrophobicContact CB-CB 4.14Å; E484-A530 HydrophobicContact CG-CB 3.85Å; V486-A530 HydrophobicContact CG2-CB 3.52Å; L526-A530 WeakPolarHBondContact O-CB 3.39Å; L526-A530 PolarHBondContact O-N 3.42Å; V527-A530 PolarHBondContact O-N 2.73Å; A530-M532 PolarHBondContact O-N 2.97Å; A530-M532 VanDerWaalsContact O-N 3.15Å; A530-G533 PolarHBondContact O-N 2.69Å
531S94.6Very high97.2Very high44 Ų4442 Ų4231%0.30822%0.216SC..Hα-helixtrans-64.2-20.9178.182.10000113.5C473 F478 V527 K528C473-S531 PolarHBondContact SG-N 3.22Å; F478-S531 WeakPolarHBondContact CE2-O 3.49Å; V527-S531 WeakPolarHBondContact O-CB 3.44Å; V527-S531 PolarHBondContact O-N 2.74Å; K528-S531 PolarHBondContact O-OG 3.34Å; K528-S531 VanDerWaalsContact O-OG 3.12Å
532M95.1Very high97.2Very high62 Ų6234.8 Ų34.831%0.30519%0.186SC..THydrogen-bonded Turntrans-91.99173.1-69.7-172.8-60.100113.3P40 K528 Q529 A530 K534P40-M532 WeakPolarHBondContact CG-O 3.47Å; K528-M532 HydrophobicContact CG-CE 4.06Å; K528-M532 VanDerWaalsContact O-CE 3.31Å; K528-M532 WeakPolarHBondContact O-CE 3.48Å; K528-M532 VanDerWaalsContact O-CG 3.26Å; K528-M532 WeakPolarHBondContact O-CG 3.22Å; K528-M532 PolarHBondContact O-N 3.47Å; Q529-M532 CarbonylContact O-C 3.54Å; Q529-M532 PolarHBondContact O-N 3.18Å; Q529-M532 VanDerWaalsContact O-N 3.17Å; A530-M532 PolarHBondContact O-N 2.97Å; A530-M532 VanDerWaalsContact O-N 3.15Å; M532-K534 VanDerWaalsContact C-N 3.32Å; M532-K534 HydrophobicContact CB-CD 4.43Å; M532-K534 HydrophobicContact CB-CG 4.21Å; M532-K534 HydrophobicContact CE-CD 4.12Å; M532-K534 PolarHBondContact O-N 3.32Å
533G95.7Very high97.1Very high2 Ų233.1 Ų33.12%0.02118%0.175CC..THydrogen-bonded Turntrans66.829.8-176.600000113.5P42 Q529 A530P42-G533 WeakPolarHBondContact CG-O 3.23Å; Q529-G533 PolarHBondContact O-N 2.88Å; A530-G533 PolarHBondContact O-N 2.69Å
534K96.6Very high97Very high108 Ų10835.2 Ų35.247%0.4718%0.184SC..  trans-106.110179.9-58.1-175-178.9173.70113.8Q529 M532Q529-K534 HydrophobicContact CB-CB 4.21Å; Q529-K534 WeakPolarHBondContact O-CA 3.44Å; Q529-K534 VanDerWaalsContact O-CB 3.32Å; Q529-K534 WeakPolarHBondContact O-CB 3.35Å; Q529-K534 PolarHBondContact O-N 2.78Å; M532-K534 VanDerWaalsContact C-N 3.32Å; M532-K534 HydrophobicContact CB-CD 4.43Å; M532-K534 HydrophobicContact CB-CG 4.21Å; M532-K534 HydrophobicContact CE-CD 4.12Å; M532-K534 PolarHBondContact O-N 3.32Å
535G96.2Very high96.9Very high10 Ų1033.7 Ų33.710%0.10317%0.172CC..  trans-66.5170.3166.500000111.3E484E484-G535 VanDerWaalsContact OE2-C 3.31Å; E484-G535 WeakPolarHBondContact OE2-CA 3.41Å
536F98Very high96.8Very high14 Ų1432.8 Ų32.86%0.06116%0.163CC..SBendtrans-103.5-30.1-179.265.4-93.5000112.5T47 N50 Y51 R487 R538 H539 M540T47-F536 HydrophobicContact CG2-CB 3.92Å; N50-F536 HydrophobicContact CB-CB 4.2Å; N50-F536 HydrophobicContact CB-CD1 3.97Å; N50-F536 HydrophobicContact CB-CG 4.44Å; Y51-F536 HydrophobicContact CD2-CD2 4.03Å; Y51-F536 AromaticContact CD2-CE2 3.82Å; Y51-F536 HydrophobicContact CD2-CE2 3.82Å; R487-F536 HydrophobicContact CG-CE1 3.83Å; R487-F536 HydrophobicContact CG-CZ 3.79Å; F536-R538 PolarHBondContact O-N 3.4Å; F536-H539 PolarHBondContact O-N 2.9Å; F536-M540 HydrophobicContact CD2-SD 3.9Å; F536-M540 WeakPolarHBondContact O-CG 3.36Å; F536-M540 PolarHBondContact O-N 3.36Å
537D98.6Very high96.6Very high8 Ų830.5 Ų30.54%0.04315%0.151CC..Hα-helixtrans-57.2-52.4-171.1-79.3-77.7000112.3T485 R487 H539 M540 F541T485-D537 VanDerWaalsContact CB-OD2 3.29Å; T485-D537 WeakPolarHBondContact CB-OD2 3.36Å; T485-D537 WeakPolarHBondContact CG2-OD2 3.4Å; T485-D537 WeakPolarHBondContact OG1-CB 3.02Å; R487-D537 IonicContact CZ-OD1 3.85Å; R487-D537 IonicContact CZ-OD2 3.78Å; R487-D537 IonicContact NE-OD1 2.7Å; R487-D537 IonicContact NE-OD2 2.79Å; R487-D537 PolarHBondContact NE-OD2 2.66Å; R487-D537 IonicContact NH2-OD1 2.87Å; R487-D537 PolarHBondContact NH2-OD1 2.97Å; R487-D537 IonicContact NH2-OD2 3.27Å; D537-H539 VanDerWaalsContact C-N 3.35Å; D537-H539 PolarHBondContact O-N 3.35Å; D537-M540 PolarHBondContact O-N 2.79Å; D537-F541 VanDerWaalsContact O-CB 3.29Å; D537-F541 WeakPolarHBondContact O-CB 3.31Å; D537-F541 PolarHBondContact O-N 2.94Å
538R98.3Very high96.4Very high10 Ų1032.6 Ų32.64%0.03816%0.158CC..Hα-helixtrans-66.5-34.8179.3-67.4-57.8177.7-90.5-4.4113.4I99 W103 Y470 T483 E484 T485 F536 A542I99-R538 HydrophobicContact CD1-CB 3.83Å; I99-R538 HydrophobicContact CD1-CG 4.28Å; I99-R538 WeakPolarHBondContact CD1-O 3.5Å; I99-R538 HydrophobicContact CG1-CB 3.91Å; I99-R538 HydrophobicContact CG1-CG 4.03Å; W103-R538 VanDerWaalsContact CH2-NH1 3.34Å; W103-R538 VanDerWaalsContact CH2-NH2 3.3Å; Y470-R538 PolarHBondContact OH-NH2 3.09Å; T483-R538 WeakPolarHBondContact O-CD 3.27Å; T483-R538 VanDerWaalsContact O-CG 3.27Å; T483-R538 WeakPolarHBondContact O-CG 3.4Å; T483-R538 PolarHBondContact O-NE 3.43Å; T483-R538 PolarHBondContact O-NH2 2.87Å; T483-R538 PolarHBondContact OG1-NH2 3.25Å; E484-R538 WeakPolarHBondContact OE1-CG 3.41Å; E484-R538 PolarHBondContact OE1-N 2.89Å; T485-R538 PolarHBondContact OG1-NH1 3.19Å; T485-R538 VanDerWaalsContact OG1-NH1 3.11Å; F536-R538 PolarHBondContact O-N 3.4Å; R538-A542 WeakPolarHBondContact O-CB 3.49Å; R538-A542 PolarHBondContact O-N 3.02Å
539H98.3Very high96.1Very high0 Ų031.3 Ų31.30%015%0.149CC..Hα-helixtrans-68.4-44.7178.2-173.9-163.5000111.5I41 P42 T47 H83 F536 D537 A542 M543I41-H539 WeakPolarHBondContact CG2-NE2 3.16Å; P42-H539 HydrophobicContact CG-CB 4.3Å; P42-H539 PolarHBondContact O-CE1 3.16Å; T47-H539 HydrophobicContact CG2-CB 4.17Å; T47-H539 PolarHBondContact OG1-ND1 3.49Å; H83-H539 AromaticContact CE1-CE1 3.59Å; H83-H539 AromaticContact CE1-NE2 3.68Å; H83-H539 AromaticContact ND1-CE1 3.25Å; H83-H539 PolarHBondContact ND1-CE1 3.14Å; H83-H539 AromaticContact ND1-NE2 3.01Å; H83-H539 PolarHBondContact ND1-NE2 2.83Å; F536-H539 PolarHBondContact O-N 2.9Å; D537-H539 VanDerWaalsContact C-N 3.35Å; D537-H539 PolarHBondContact O-N 3.35Å; H539-A542 PolarHBondContact O-N 3.02Å; H539-M543 WeakPolarHBondContact O-CG 3.48Å; H539-M543 PolarHBondContact O-N 2.9Å; H539-M543 VanDerWaalsContact O-N 3.13Å
540M98Very high95.7Very high4 Ų435.2 Ų35.22%0.0216%0.161CC..Hα-helixtrans-61.9-46.1174.1-71.5-172.981.200111.6T47 Y51 F536 D537 A542 M543 K544 L557 F558 Y563T47-M540 HydrophobicContact CG2-CG 3.73Å; Y51-M540 HydrophobicContact CD1-CE 4.18Å; Y51-M540 HydrophobicContact CD1-SD 4.47Å; Y51-M540 HydrophobicContact CD2-CE 3.81Å; Y51-M540 HydrophobicContact CD2-SD 3.45Å; Y51-M540 WeakPolarHBondContact CD2-SD 3.38Å; Y51-M540 HydrophobicContact CE1-CE 4.4Å; Y51-M540 HydrophobicContact CE2-CE 4.03Å; Y51-M540 HydrophobicContact CE2-SD 4.17Å; Y51-M540 HydrophobicContact CG-CE 3.89Å; Y51-M540 HydrophobicContact CG-SD 3.62Å; F536-M540 HydrophobicContact CD2-SD 3.9Å; F536-M540 WeakPolarHBondContact O-CG 3.36Å; F536-M540 PolarHBondContact O-N 3.36Å; D537-M540 PolarHBondContact O-N 2.79Å; M540-A542 PolarHBondContact O-N 2.92Å; M540-M543 HydrophobicContact CG-CE 4.45Å; M540-M543 PolarHBondContact O-N 2.92Å; M540-K544 PolarHBondContact O-N 3.32Å; M540-L557 HydrophobicContact CE-CD2 3.68Å; M540-L557 HydrophobicContact CE-CG 4.34Å; M540-F558 HydrophobicContact CB-CE1 4.12Å; M540-F558 HydrophobicContact CE-CE1 3.91Å; M540-Y563 HydrophobicContact CE-CD2 4.03Å; M540-Y563 HydrophobicContact CE-CE2 3.68Å; M540-Y563 HydrophobicContact SD-CE2 4.33Å
541F97.6Very high95.3Very high29 Ų2938.4 Ų38.413%0.12719%0.194CC..Hα-helixtrans-58.5-45.5176.5174.8-103.9000112.4I99 P102 W103 M106 D537 M543 K544 M545I99-F541 HydrophobicContact CD1-CD1 3.79Å; I99-F541 HydrophobicContact CD1-CE1 4.39Å; P102-F541 HydrophobicContact CB-CE1 3.84Å; W103-F541 AromaticContact CE3-CD1 3.98Å; W103-F541 HydrophobicContact CE3-CD1 3.98Å; W103-F541 AromaticContact CE3-CE1 3.8Å; W103-F541 HydrophobicContact CE3-CE1 3.8Å; W103-F541 HydrophobicContact CE3-CZ 4.43Å; W103-F541 HydrophobicContact CZ3-CD1 4.26Å; W103-F541 HydrophobicContact CZ3-CE1 4.31Å; M106-F541 HydrophobicContact CB-CZ 3.93Å; M106-F541 HydrophobicContact CG-CE2 4.47Å; M106-F541 HydrophobicContact CG-CZ 4.25Å; M106-F541 HydrophobicContact SD-CE2 4.22Å; M106-F541 HydrophobicContact SD-CZ 4.18Å; D537-F541 VanDerWaalsContact O-CB 3.29Å; D537-F541 WeakPolarHBondContact O-CB 3.31Å; D537-F541 PolarHBondContact O-N 2.94Å; F541-M543 VanDerWaalsContact C-N 3.31Å; F541-M543 PolarHBondContact O-N 3.49Å; F541-K544 WeakPolarHBondContact O-CB 3.17Å; F541-K544 PolarHBondContact O-N 2.72Å; F541-M545 HydrophobicContact CD1-CG 4.22Å; F541-M545 HydrophobicContact CD2-CG 4.15Å; F541-M545 HydrophobicContact CE1-CG 3.69Å; F541-M545 HydrophobicContact CE2-CG 3.59Å; F541-M545 HydrophobicContact CE2-SD 3.79Å; F541-M545 HydrophobicContact CG-CG 4.43Å; F541-M545 HydrophobicContact CZ-CG 3.33Å; F541-M545 HydrophobicContact CZ-SD 3.67Å; F541-M545 WeakPolarHBondContact O-CG 3.4Å; F541-M545 PolarHBondContact O-N 2.94Å
542A97.7Very high94.8Very high3 Ų338.6 Ų38.63%0.02519%0.192CC..Hα-helixtrans-61.4-38.5177.200000112.6L86 Y98 I99 R538 H539 M540 L546L86-A542 HydrophobicContact CD1-CB 4.31Å; L86-A542 HydrophobicContact CD2-CB 4.1Å; Y98-A542 HydrophobicContact CD2-CB 3.55Å; Y98-A542 HydrophobicContact CE2-CB 3.61Å; I99-A542 HydrophobicContact CD1-CB 4.2Å; R538-A542 WeakPolarHBondContact O-CB 3.49Å; R538-A542 PolarHBondContact O-N 3.02Å; H539-A542 PolarHBondContact O-N 3.02Å; M540-A542 PolarHBondContact O-N 2.92Å; A542-L546 VanDerWaalsContact O-CB 3.29Å; A542-L546 WeakPolarHBondContact O-CB 3.48Å; A542-L546 PolarHBondContact O-N 3.46Å
543M97.4Very high94.5Very high0 Ų044.8 Ų44.80%021%0.212CC..Hα-helixtrans-68.1-39.6174.9-70.9-173.3-68.600112.2L44 F74 L82 H83 L86 H539 M540 F541 L546 A547 F558L44-M543 HydrophobicContact CD1-CE 3.9Å; L44-M543 HydrophobicContact CD1-SD 4.01Å; F74-M543 HydrophobicContact CE1-CE 3.95Å; F74-M543 HydrophobicContact CE1-SD 4.43Å; F74-M543 HydrophobicContact CZ-CE 3.87Å; F74-M543 HydrophobicContact CZ-SD 4.02Å; L82-M543 HydrophobicContact CB-CB 4.17Å; L82-M543 HydrophobicContact CB-CG 4.16Å; L82-M543 HydrophobicContact CB-SD 4.33Å; L82-M543 HydrophobicContact CD1-CB 4.41Å; H83-M543 HydrophobicContact CB-SD 4.1Å; L86-M543 HydrophobicContact CD2-CG 4.29Å; H539-M543 WeakPolarHBondContact O-CG 3.48Å; H539-M543 PolarHBondContact O-N 2.9Å; H539-M543 VanDerWaalsContact O-N 3.13Å; M540-M543 HydrophobicContact CG-CE 4.45Å; M540-M543 PolarHBondContact O-N 2.92Å; F541-M543 VanDerWaalsContact C-N 3.31Å; F541-M543 PolarHBondContact O-N 3.49Å; M543-L546 PolarHBondContact O-N 3.18Å; M543-A547 PolarHBondContact O-N 3.29Å; M543-F558 HydrophobicContact CB-CZ 4.19Å
544K96.4Very high94.4Very high55 Ų5546 Ų4624%0.23922%0.219CC..Hα-helixtrans-60-52.5173.7178.7-176.9171.5177.10111.2M540 F541 L546 A547 E548 F558 Y563M540-K544 PolarHBondContact O-N 3.32Å; F541-K544 WeakPolarHBondContact O-CB 3.17Å; F541-K544 PolarHBondContact O-N 2.72Å; K544-L546 VanDerWaalsContact C-N 3.25Å; K544-L546 PolarHBondContact O-N 3.38Å; K544-A547 WeakPolarHBondContact O-CB 3.18Å; K544-A547 PolarHBondContact O-N 2.92Å; K544-A547 VanDerWaalsContact O-N 3.1Å; K544-E548 WeakPolarHBondContact CE-OE1 3.47Å; K544-E548 IonicContact NZ-OE1 3.59Å; K544-E548 PolarHBondContact O-N 3.34Å; K544-F558 HydrophobicContact CB-CD1 4.21Å; K544-F558 HydrophobicContact CB-CD2 3.84Å; K544-F558 HydrophobicContact CB-CE1 4.28Å; K544-F558 HydrophobicContact CB-CE2 3.92Å; K544-F558 HydrophobicContact CB-CG 3.99Å; K544-F558 HydrophobicContact CB-CZ 4.14Å; K544-F558 HydrophobicContact CD-CB 4.13Å; K544-F558 HydrophobicContact CD-CG 4.32Å; K544-F558 HydrophobicContact CG-CB 4.18Å; K544-F558 HydrophobicContact CG-CD2 4.11Å; K544-F558 HydrophobicContact CG-CG 4.09Å; K544-Y563 HydrophobicContact CD-CE1 4.37Å
545M94.8Very high94.4Very high18 Ų1841.4 Ų41.49%0.08920%0.2CC..Hα-helixtrans-59.4-37.2178-72.3-61-52.600112.1P102 F541 R549P102-M545 HydrophobicContact CB-CB 4.31Å; P102-M545 HydrophobicContact CB-CG 4.19Å; F541-M545 HydrophobicContact CD1-CG 4.22Å; F541-M545 HydrophobicContact CD2-CG 4.15Å; F541-M545 HydrophobicContact CE1-CG 3.69Å; F541-M545 HydrophobicContact CE2-CG 3.59Å; F541-M545 HydrophobicContact CE2-SD 3.79Å; F541-M545 HydrophobicContact CG-CG 4.43Å; F541-M545 HydrophobicContact CZ-CG 3.33Å; F541-M545 HydrophobicContact CZ-SD 3.67Å; F541-M545 WeakPolarHBondContact O-CG 3.4Å; F541-M545 PolarHBondContact O-N 2.94Å; M545-R549 WeakPolarHBondContact O-CB 3.41Å; M545-R549 WeakPolarHBondContact O-CD 3.37Å; M545-R549 WeakPolarHBondContact O-CG 3.47Å; M545-R549 PolarHBondContact O-N 3.32Å
546L94.7Very high94.4Very high36 Ų3644.8 Ų44.819%0.18822%0.216CC..Hα-helixtrans-63.9-43.8175.7-177.861.7000111.6L82 E85 L86 A542 M543 K544 R550L82-L546 HydrophobicContact CD2-CB 4.49Å; L82-L546 HydrophobicContact CD2-CD2 4.29Å; L82-L546 HydrophobicContact CD2-CG 4.26Å; E85-L546 HydrophobicContact CB-CD2 3.76Å; L86-L546 HydrophobicContact CB-CD2 4.28Å; A542-L546 VanDerWaalsContact O-CB 3.29Å; A542-L546 WeakPolarHBondContact O-CB 3.48Å; A542-L546 PolarHBondContact O-N 3.46Å; M543-L546 PolarHBondContact O-N 3.18Å; K544-L546 VanDerWaalsContact C-N 3.25Å; K544-L546 PolarHBondContact O-N 3.38Å; L546-R550 WeakPolarHBondContact O-CG 3.27Å; L546-R550 PolarHBondContact O-N 3.17Å
547A94.6Very high94.3Very high0 Ų044.3 Ų44.30%021%0.214CC..Hα-helixtrans-61.5-47.917600000111.6L82 M543 K544 R549 R550 D552L82-A547 HydrophobicContact CD1-CB 4.13Å; L82-A547 HydrophobicContact CD2-CB 3.93Å; M543-A547 PolarHBondContact O-N 3.29Å; K544-A547 WeakPolarHBondContact O-CB 3.18Å; K544-A547 PolarHBondContact O-N 2.92Å; K544-A547 VanDerWaalsContact O-N 3.1Å; A547-R549 PolarHBondContact O-N 2.72Å; A547-R550 PolarHBondContact O-N 3.49Å; A547-D552 PolarHBondContact O-N 3.48Å
548E92.3Very high94.2Very high83 Ų8344.1 Ų44.139%0.38821%0.213SC..Hα-helixtrans-59.5-44.7179.5-71173.3170.900112.2K544 R550 G551 V554K544-E548 WeakPolarHBondContact CE-OE1 3.47Å; K544-E548 IonicContact NZ-OE1 3.59Å; K544-E548 PolarHBondContact O-N 3.34Å; E548-R550 VanDerWaalsContact C-N 3.27Å; E548-R550 PolarHBondContact O-N 3.3Å; E548-G551 PolarHBondContact O-N 3.38Å; E548-V554 HydrophobicContact CG-CG2 3.62Å
549R89.6Confident94.1Very high108 Ų10848.5 Ų48.541%0.40824%0.236SC..Hα-helixtrans-67.4-25.7-178.6-74.8169.5178.1-163.7-5.6114.4E101 D105 M545 A547E101-R549 IonicContact OE1-CZ 3.36Å; E101-R549 IonicContact OE1-NH1 3.29Å; E101-R549 IonicContact OE1-NH2 2.92Å; E101-R549 PolarHBondContact OE1-NH2 3.14Å; E101-R549 IonicContact OE2-CZ 3.84Å; E101-R549 IonicContact OE2-NH1 2.8Å; E101-R549 PolarHBondContact OE2-NH1 3.07Å; E101-R549 IonicContact OE2-NH2 3.88Å; E101-R549 PolarHBondContact OE2-NH2 3.08Å; D105-R549 IonicContact OD2-CZ 3.69Å; D105-R549 IonicContact OD2-NE 3.53Å; D105-R549 IonicContact OD2-NH2 2.78Å; D105-R549 PolarHBondContact OD2-NH2 2.64Å; M545-R549 WeakPolarHBondContact O-CB 3.41Å; M545-R549 WeakPolarHBondContact O-CD 3.37Å; M545-R549 WeakPolarHBondContact O-CG 3.47Å; M545-R549 PolarHBondContact O-N 3.32Å; A547-R549 PolarHBondContact O-N 2.72Å
550R87.9Confident93.9Very high143 Ų14350 Ų5054%0.5424%0.244SC..THydrogen-bonded Turntrans-77.5-12.1175-70.9-173.270.5123.410.6112.6E85 L546 A547 E548 D552E85-R550 IonicContact OE1-CZ 3.76Å; E85-R550 IonicContact OE1-NH1 3.18Å; E85-R550 PolarHBondContact OE1-NH1 3.38Å; E85-R550 VanDerWaalsContact OE2-CD 3.28Å; E85-R550 WeakPolarHBondContact OE2-CD 3.41Å; E85-R550 IonicContact OE2-CZ 3.15Å; E85-R550 IonicContact OE2-NE 3.8Å; E85-R550 IonicContact OE2-NH1 2.73Å; E85-R550 PolarHBondContact OE2-NH1 3.23Å; L546-R550 WeakPolarHBondContact O-CG 3.27Å; L546-R550 PolarHBondContact O-N 3.17Å; A547-R550 PolarHBondContact O-N 3.49Å; E548-R550 VanDerWaalsContact C-N 3.27Å; E548-R550 PolarHBondContact O-N 3.3Å; R550-D552 HydrophobicContact CB-CB 4.38Å; R550-D552 IonicContact NE-OD2 3.73Å; R550-D552 PolarHBondContact O-N 2.97Å
551G88.3Confident93.8Very high69 Ų6954.8 Ų54.871%0.71127%0.266SS*.THydrogen-bonded Turntrans69.117.5-166.800000112.5E548E548-G551 PolarHBondContact O-N 3.38Å
552D84.2Confident93.8Very high49 Ų4953.7 Ų53.726%0.26226%0.262SS..PPolyproline II helixtrans-70.7157.2174.6-70-6.7000109.5R81 A547 R550 V554R81-D552 IonicContact CZ-OD2 2.74Å; R81-D552 VanDerWaalsContact CZ-OD2 3.26Å; R81-D552 IonicContact NH1-OD2 3Å; R81-D552 PolarHBondContact NH1-OD2 2.96Å; R81-D552 IonicContact NH2-OD2 3.66Å; R81-D552 PolarHBondContact NH2-OD2 3.48Å; A547-D552 PolarHBondContact O-N 3.48Å; R550-D552 HydrophobicContact CB-CB 4.38Å; R550-D552 IonicContact NE-OD2 3.73Å; R550-D552 PolarHBondContact O-N 2.97Å; D552-V554 PolarHBondContact O-N 3.24Å; D552-V554 VanDerWaalsContact O-N 3.14Å
553R90.1Very high93.7Very high192 Ų19254.1 Ų54.173%0.72526%0.263SS*.PPolyproline II helixtrans-59.5120.9163.6179.1177169.4-179.2-4.3108.6D556R553-D556 IonicContact CZ-OD1 3.93Å; R553-D556 IonicContact NE-OD1 3.81Å; R553-D556 IonicContact NH2-OD1 3.7Å; R553-D556 PolarHBondContact NH2-OD1 3.42Å; R553-D556 IonicContact NH2-OD2 3.89Å; R553-D556 PolarHBondContact NH2-OD2 2.95Å
554V93.4Very high93.7Very high27 Ų2761.9 Ų61.916%0.16429%0.292CS..PPolyproline II helixtrans-59.8128.1174.4178.30000108.6E548 D552 D556 F558 I559E548-V554 HydrophobicContact CG-CG2 3.62Å; D552-V554 PolarHBondContact O-N 3.24Å; D552-V554 VanDerWaalsContact O-N 3.14Å; V554-D556 PolarHBondContact O-N 2.98Å; V554-F558 HydrophobicContact CG1-CB 3.74Å; V554-F558 HydrophobicContact CG1-CD2 4.17Å; V554-F558 HydrophobicContact CG1-CG 4.48Å; V554-I559 HydrophobicContact CB-CG2 4.3Å; V554-I559 HydrophobicContact CG1-CG2 3.95Å
555P95.7Very high93.7Very high12 Ų1261.9 Ų61.98%0.07830%0.295CS..PPolyproline II helixtrans-52139.3178.5-28.832.4000112.8F74 A78 L82 L557 F558F74-P555 HydrophobicContact CD2-CB 3.86Å; F74-P555 HydrophobicContact CD2-CG 4.28Å; F74-P555 HydrophobicContact CE2-CB 4.06Å; F74-P555 HydrophobicContact CE2-CG 4.04Å; A78-P555 HydrophobicContact CB-CB 4.16Å; A78-P555 HydrophobicContact CB-CG 3.8Å; L82-P555 HydrophobicContact CD1-CG 3.74Å; P555-L557 PolarHBondContact O-N 2.82Å; P555-F558 HydrophobicContact CB-CD2 3.96Å; P555-F558 HydrophobicContact CB-CE2 4.27Å; P555-F558 HydrophobicContact CG-CD2 3.93Å; P555-F558 HydrophobicContact CG-CE2 3.99Å; P555-F558 PolarHBondContact O-N 3.09Å
556D95.7Very high93.7Very high80 Ų8061 Ų6143%0.42829%0.291SS..Hα-helixtrans-54.2-35-174.6-65.2-20.7000112.6R553 V554 F558 I559 D560R553-D556 IonicContact CZ-OD1 3.93Å; R553-D556 IonicContact NE-OD1 3.81Å; R553-D556 IonicContact NH2-OD1 3.7Å; R553-D556 PolarHBondContact NH2-OD1 3.42Å; R553-D556 IonicContact NH2-OD2 3.89Å; R553-D556 PolarHBondContact NH2-OD2 2.95Å; V554-D556 PolarHBondContact O-N 2.98Å; D556-F558 PolarHBondContact O-N 3.3Å; D556-F558 VanDerWaalsContact O-N 3.15Å; D556-I559 VanDerWaalsContact O-CG1 3.29Å; D556-I559 WeakPolarHBondContact O-CG1 3.46Å; D556-I559 PolarHBondContact O-N 3.48Å; D556-I559 VanDerWaalsContact O-N 3.16Å; D556-D560 WeakPolarHBondContact O-CB 3.37Å; D556-D560 PolarHBondContact O-N 3.28Å
557L96.9Very high93.8Very high4 Ų462.1 Ų62.12%0.02130%0.296CS..Hα-helixtrans-51.1-38.3173.6177.564.7000113.3Y51 M70 F74 M540 P555 Y563Y51-L557 HydrophobicContact CE1-CD1 3.95Å; M70-L557 HydrophobicContact CB-CB 4.5Å; M70-L557 HydrophobicContact CB-CD1 4.04Å; F74-L557 HydrophobicContact CB-CB 4.26Å; F74-L557 HydrophobicContact CB-CD2 3.79Å; F74-L557 HydrophobicContact CD1-CD2 3.73Å; F74-L557 HydrophobicContact CD2-CD2 4.2Å; F74-L557 HydrophobicContact CE1-CD2 4.36Å; F74-L557 HydrophobicContact CG-CB 4.49Å; F74-L557 HydrophobicContact CG-CD2 3.64Å; M540-L557 HydrophobicContact CE-CD2 3.68Å; M540-L557 HydrophobicContact CE-CG 4.34Å; P555-L557 PolarHBondContact O-N 2.82Å; L557-Y563 WeakPolarHBondContact O-CB 3.42Å
558F96.6Very high94Very high4 Ų465.2 Ų65.22%0.01831%0.311CS..Hα-helixtrans-86-11.4-174.5-62.6-47.3000114.5F74 L82 M540 M543 K544 V554 P555 D556 Y563F74-F558 AromaticContact CE2-CE2 3.71Å; F74-F558 HydrophobicContact CE2-CE2 3.71Å; F74-F558 AromaticContact CE2-CZ 3.78Å; F74-F558 HydrophobicContact CE2-CZ 3.78Å; F74-F558 HydrophobicContact CZ-CE2 4.05Å; F74-F558 AromaticContact CZ-CZ 3.67Å; F74-F558 HydrophobicContact CZ-CZ 3.67Å; L82-F558 HydrophobicContact CD1-CE2 4.49Å; M540-F558 HydrophobicContact CB-CE1 4.12Å; M540-F558 HydrophobicContact CE-CE1 3.91Å; M543-F558 HydrophobicContact CB-CZ 4.19Å; K544-F558 HydrophobicContact CB-CD1 4.21Å; K544-F558 HydrophobicContact CB-CD2 3.84Å; K544-F558 HydrophobicContact CB-CE1 4.28Å; K544-F558 HydrophobicContact CB-CE2 3.92Å; K544-F558 HydrophobicContact CB-CG 3.99Å; K544-F558 HydrophobicContact CB-CZ 4.14Å; K544-F558 HydrophobicContact CD-CB 4.13Å; K544-F558 HydrophobicContact CD-CG 4.32Å; K544-F558 HydrophobicContact CG-CB 4.18Å; K544-F558 HydrophobicContact CG-CD2 4.11Å; K544-F558 HydrophobicContact CG-CG 4.09Å; V554-F558 HydrophobicContact CG1-CB 3.74Å; V554-F558 HydrophobicContact CG1-CD2 4.17Å; V554-F558 HydrophobicContact CG1-CG 4.48Å; P555-F558 HydrophobicContact CB-CD2 3.96Å; P555-F558 HydrophobicContact CB-CE2 4.27Å; P555-F558 HydrophobicContact CG-CD2 3.93Å; P555-F558 HydrophobicContact CG-CE2 3.99Å; P555-F558 PolarHBondContact O-N 3.09Å; D556-F558 PolarHBondContact O-N 3.3Å; D556-F558 VanDerWaalsContact O-N 3.15Å; F558-Y563 HydrophobicContact CB-CD1 4.4Å; F558-Y563 HydrophobicContact CB-CE1 4.37Å; F558-Y563 HydrophobicContact CD1-CD1 4.33Å; F558-Y563 HydrophobicContact CD1-CD2 4.19Å; F558-Y563 AromaticContact CD1-CE1 3.91Å; F558-Y563 HydrophobicContact CD1-CE1 3.91Å; F558-Y563 AromaticContact CD1-CE2 3.78Å; F558-Y563 HydrophobicContact CD1-CE2 3.78Å; F558-Y563 HydrophobicContact CD1-CG 4.46Å; F558-Y563 AromaticContact CD1-CZ 3.62Å; F558-Y563 HydrophobicContact CE1-CE2 4.13Å; F558-Y563 WeakPolarHBondContact O-CD1 3.29Å
559I95Very high94.2Very high102 Ų10262.5 Ų62.552%0.52330%0.298SS..Hα-helixtrans-109.3-9.9177.455.7162.8000112.4V554 D556V554-I559 HydrophobicContact CB-CG2 4.3Å; V554-I559 HydrophobicContact CG1-CG2 3.95Å; D556-I559 VanDerWaalsContact O-CG1 3.29Å; D556-I559 WeakPolarHBondContact O-CG1 3.46Å; D556-I559 PolarHBondContact O-N 3.48Å; D556-I559 VanDerWaalsContact O-N 3.16Å
560D95.7Very high94.6Very high32 Ų3257.7 Ų57.717%0.17128%0.281CS..SBendtrans-66151.7174.7179.263.3000113.2M70 D556 T562 Y563 R564M70-D560 HydrophobicContact CE-CB 3.9Å; M70-D560 WeakPolarHBondContact CE-OD1 3.28Å; M70-D560 HydrophobicContact SD-CB 3.4Å; M70-D560 WeakPolarHBondContact SD-CB 3.48Å; D556-D560 WeakPolarHBondContact O-CB 3.37Å; D556-D560 PolarHBondContact O-N 3.28Å; D560-T562 VanDerWaalsContact C-N 3.29Å; D560-T562 PolarHBondContact O-N 3.18Å; D560-T562 WeakPolarHBondContact OD2-CB 3.18Å; D560-T562 VanDerWaalsContact OD2-CG2 3.31Å; D560-T562 WeakPolarHBondContact OD2-CG2 3.33Å; D560-T562 PolarHBondContact OD2-N 3.05Å; D560-T562 PolarHBondContact OD2-OG1 3.46Å; D560-Y563 PolarHBondContact O-N 2.87Å; D560-R564 PolarHBondContact O-N 3.07Å; D560-R564 VanDerWaalsContact O-N 3.07Å
561E96Very high95.2Very high104 Ų10450.9 Ų50.949%0.48626%0.255SS..Hα-helixtrans-63.2-33.7-178.4-172.556.1-155.700112.2Y563 R564 L565E561-Y563 VanDerWaalsContact C-N 3.32Å; E561-Y563 PolarHBondContact O-N 3.19Å; E561-R564 WeakPolarHBondContact O-CB 3.42Å; E561-R564 PolarHBondContact O-N 3.17Å; E561-R564 WeakPolarHBondContact OE2-CD 3.49Å; E561-R564 IonicContact OE2-NE 3.95Å; E561-L565 HydrophobicContact CG-CD1 4.23Å; E561-L565 HydrophobicContact CG-CG 4.33Å; E561-L565 WeakPolarHBondContact O-CB 3.42Å; E561-L565 VanDerWaalsContact O-CG 3.29Å; E561-L565 WeakPolarHBondContact O-CG 3.39Å; E561-L565 PolarHBondContact O-N 2.71Å
562T96.1Very high95.7Very high6 Ų648 Ų484%0.03722%0.223CC..Hα-helixtrans-65.7-35.8178.667.80000112.2L59 Q63 A67 D560 A566L59-T562 HydrophobicContact CD1-CG2 4.33Å; Q63-T562 HydrophobicContact CB-CG2 4.07Å; Q63-T562 WeakPolarHBondContact O-CG2 3.21Å; A67-T562 HydrophobicContact CB-CG2 4.26Å; D560-T562 VanDerWaalsContact C-N 3.29Å; D560-T562 PolarHBondContact O-N 3.18Å; D560-T562 WeakPolarHBondContact OD2-CB 3.18Å; D560-T562 VanDerWaalsContact OD2-CG2 3.31Å; D560-T562 WeakPolarHBondContact OD2-CG2 3.33Å; D560-T562 PolarHBondContact OD2-N 3.05Å; D560-T562 PolarHBondContact OD2-OG1 3.46Å; T562-A566 WeakPolarHBondContact O-CB 3.48Å; T562-A566 PolarHBondContact O-N 3.06Å
563Y97.1Very high96.3Very high12 Ų1245.7 Ų45.75%0.04721%0.211CC..Hα-helixtrans-74.2-35.3174.2-173.3-95.6000111.8Y51 M540 K544 L557 F558 D560 E561 A566 N567Y51-Y563 AromaticContact CE2-CD2 3.95Å; Y51-Y563 HydrophobicContact CE2-CD2 3.95Å; Y51-Y563 HydrophobicContact CE2-CE2 4.43Å; M540-Y563 HydrophobicContact CE-CD2 4.03Å; M540-Y563 HydrophobicContact CE-CE2 3.68Å; M540-Y563 HydrophobicContact SD-CE2 4.33Å; K544-Y563 HydrophobicContact CD-CE1 4.37Å; L557-Y563 WeakPolarHBondContact O-CB 3.42Å; F558-Y563 HydrophobicContact CB-CD1 4.4Å; F558-Y563 HydrophobicContact CB-CE1 4.37Å; F558-Y563 HydrophobicContact CD1-CD1 4.33Å; F558-Y563 HydrophobicContact CD1-CD2 4.19Å; F558-Y563 AromaticContact CD1-CE1 3.91Å; F558-Y563 HydrophobicContact CD1-CE1 3.91Å; F558-Y563 AromaticContact CD1-CE2 3.78Å; F558-Y563 HydrophobicContact CD1-CE2 3.78Å; F558-Y563 HydrophobicContact CD1-CG 4.46Å; F558-Y563 AromaticContact CD1-CZ 3.62Å; F558-Y563 HydrophobicContact CE1-CE2 4.13Å; F558-Y563 WeakPolarHBondContact O-CD1 3.29Å; D560-Y563 PolarHBondContact O-N 2.87Å; E561-Y563 VanDerWaalsContact C-N 3.32Å; E561-Y563 PolarHBondContact O-N 3.19Å; Y563-A566 PolarHBondContact O-N 2.83Å; Y563-N567 VanDerWaalsContact CE1-ND2 3.32Å; Y563-N567 WeakPolarHBondContact CE1-ND2 3.23Å; Y563-N567 VanDerWaalsContact CZ-ND2 3.33Å; Y563-N567 PolarHBondContact O-N 3.07Å; Y563-N567 PolarHBondContact O-ND2 3.35Å
564R96.5Very high96.7Very high163 Ų16338 Ų3862%0.61519%0.187SC*.Hα-helixtrans-60.5-50171.3-69.3179.163.81015.8111D560 E561 A566 N567 H568D560-R564 PolarHBondContact O-N 3.07Å; D560-R564 VanDerWaalsContact O-N 3.07Å; E561-R564 WeakPolarHBondContact O-CB 3.42Å; E561-R564 PolarHBondContact O-N 3.17Å; E561-R564 WeakPolarHBondContact OE2-CD 3.49Å; E561-R564 IonicContact OE2-NE 3.95Å; R564-A566 VanDerWaalsContact C-N 3.3Å; R564-A566 PolarHBondContact O-N 2.8Å; R564-N567 CarbonylContact O-C 3.47Å; R564-N567 PolarHBondContact O-N 3.18Å; R564-H568 WeakPolarHBondContact O-CB 3.41Å; R564-H568 PolarHBondContact O-N 3.1Å
565L95.7Very high96.7Very high56 Ų5639.2 Ų39.229%0.29320%0.197SC..Hα-helixtrans-57.9-41.5175-70.9172000112L59 A468 E561 N567 H568L59-L565 HydrophobicContact CD2-CD1 4.35Å; A468-L565 WeakPolarHBondContact CB-O 3.4Å; E561-L565 HydrophobicContact CG-CD1 4.23Å; E561-L565 HydrophobicContact CG-CG 4.33Å; E561-L565 WeakPolarHBondContact O-CB 3.42Å; E561-L565 VanDerWaalsContact O-CG 3.29Å; E561-L565 WeakPolarHBondContact O-CG 3.39Å; E561-L565 PolarHBondContact O-N 2.71Å; L565-N567 PolarHBondContact O-N 2.83Å; L565-H568 PolarHBondContact O-N 3.39Å; L565-H568 VanDerWaalsContact O-N 3.17Å
566A95.7Very high96.4Very high0 Ų040.3 Ų40.30%020%0.202CC..Hα-helixtrans-63-26.2177.500000113.6Y51 V55 F58 R487 T562 Y563 R564Y51-A566 HydrophobicContact CE2-CB 4.33Å; V55-A566 HydrophobicContact CG1-CB 3.63Å; F58-A566 HydrophobicContact CE2-CB 4.27Å; F58-A566 HydrophobicContact CZ-CB 4.16Å; R487-A566 VanDerWaalsContact CZ-O 3.28Å; R487-A566 PolarHBondContact NH1-O 3.14Å; R487-A566 PolarHBondContact NH2-O 3.3Å; T562-A566 WeakPolarHBondContact O-CB 3.48Å; T562-A566 PolarHBondContact O-N 3.06Å; Y563-A566 PolarHBondContact O-N 2.83Å; R564-A566 VanDerWaalsContact C-N 3.3Å; R564-A566 PolarHBondContact O-N 2.8Å
567N96.9Very high96Very high58 Ų5838.6 Ų38.631%0.3119%0.194SC..Hα-helixtrans-103.61177.8-68.2-85.2000113.1Y563 R564 L565 F569Y563-N567 VanDerWaalsContact CE1-ND2 3.32Å; Y563-N567 WeakPolarHBondContact CE1-ND2 3.23Å; Y563-N567 VanDerWaalsContact CZ-ND2 3.33Å; Y563-N567 PolarHBondContact O-N 3.07Å; Y563-N567 PolarHBondContact O-ND2 3.35Å; R564-N567 CarbonylContact O-C 3.47Å; R564-N567 PolarHBondContact O-N 3.18Å; L565-N567 PolarHBondContact O-N 2.83Å; N567-F569 VanDerWaalsContact O-CD2 3.25Å; N567-F569 WeakPolarHBondContact O-CD2 2.85Å; N567-F569 PolarHBondContact O-N 3.37Å
568H97.6Very high95.7Very high65 Ų6538.9 Ų38.930%0.30120%0.196SC..  trans-8977.8172.7-167.691.8000109.3R564 L565 T570 D592R564-H568 WeakPolarHBondContact O-CB 3.41Å; R564-H568 PolarHBondContact O-N 3.1Å; L565-H568 PolarHBondContact O-N 3.39Å; L565-H568 VanDerWaalsContact O-N 3.17Å; H568-T570 PolarHBondContact O-N 3.14Å; H568-D592 IonicContact CD2-OD1 2.79Å; H568-D592 IonicContact CE1-OD1 2.87Å; H568-D592 PolarHBondContact CE1-OD1 3Å; H568-D592 IonicContact NE2-OD1 3.89Å; H568-D592 PolarHBondContact NE2-OD1 2.91Å; H568-D592 IonicContact NE2-OD2 3.66Å
569F98.2Very high95.3Very high26 Ų2643.7 Ų43.711%0.11422%0.223CC..  trans-74.185-172.2-59.9-75.5000112.5Y470 T485 N567 L571 V589 V590Y470-F569 VanDerWaalsContact CB-CD1 3.45Å; Y470-F569 HydrophobicContact CD2-CD1 4.36Å; Y470-F569 AromaticContact CD2-CE1 3.87Å; Y470-F569 HydrophobicContact CD2-CE1 3.87Å; Y470-F569 HydrophobicContact CD2-CE2 4.16Å; Y470-F569 AromaticContact CD2-CZ 3.8Å; Y470-F569 HydrophobicContact CD2-CZ 3.8Å; Y470-F569 HydrophobicContact CG-CD1 4.38Å; Y470-F569 HydrophobicContact CG-CE1 4.31Å; T485-F569 HydrophobicContact CG2-CE1 4.38Å; N567-F569 VanDerWaalsContact O-CD2 3.25Å; N567-F569 WeakPolarHBondContact O-CD2 2.85Å; N567-F569 PolarHBondContact O-N 3.37Å; F569-L571 PolarHBondContact O-N 3.11Å; F569-V589 HydrophobicContact CB-CG2 3.98Å; F569-V590 WeakPolarHBondContact O-CG2 3.33Å
570T98.3Very high95.1Very high8 Ų839.3 Ų39.35%0.04920%0.201CC..SBendtrans-60.5-29.4175.4-42.30000112.1F459 P467 A468 H568 D592 G593 Y594F459-T570 HydrophobicContact CE2-CG2 3.72Å; F459-T570 HydrophobicContact CZ-CG2 3.84Å; P467-T570 HydrophobicContact CB-CG2 4.37Å; A468-T570 PolarHBondContact O-N 2.85Å; H568-T570 PolarHBondContact O-N 3.14Å; T570-D592 WeakPolarHBondContact CG2-O 3.45Å; T570-G593 CarbonylContact O-C 3.5Å; T570-G593 WeakPolarHBondContact O-CA 3.3Å; T570-Y594 PolarHBondContact O-N 2.76Å
571L98.7Very high95Very high0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-113.6110.6169.5-71.3173.6000109.2I455 F459 P467 A468 T469 Y470 F569 Y594 I596 F621I455-L571 HydrophobicContact CG2-CD1 3.81Å; I455-L571 HydrophobicContact CG2-CD2 4.08Å; I455-L571 HydrophobicContact CG2-CG 4.49Å; F459-L571 HydrophobicContact CB-CD1 3.97Å; F459-L571 HydrophobicContact CD2-CD1 4.06Å; F459-L571 HydrophobicContact CD2-CD2 3.81Å; F459-L571 HydrophobicContact CD2-CG 3.92Å; F459-L571 HydrophobicContact CE2-CD2 4.48Å; F459-L571 HydrophobicContact CE2-CG 4.41Å; F459-L571 HydrophobicContact CG-CD1 4.09Å; F459-L571 HydrophobicContact CG-CG 4.45Å; P467-L571 HydrophobicContact CG-CD1 3.51Å; P467-L571 HydrophobicContact CG-CG 3.84Å; A468-L571 PolarHBondContact O-N 3.41Å; T469-L571 CarbonylContact C-O 3.47Å; T469-L571 WeakPolarHBondContact CA-O 3.42Å; T469-L571 HydrophobicContact CG2-CB 3.82Å; T469-L571 HydrophobicContact CG2-CD1 4.42Å; Y470-L571 PolarHBondContact N-O 2.84Å; F569-L571 PolarHBondContact O-N 3.11Å; L571-Y594 HydrophobicContact CD2-CD2 3.95Å; L571-Y594 HydrophobicContact CD2-CG 4.4Å; L571-I596 HydrophobicContact CD2-CD1 3.95Å; L571-F621 HydrophobicContact CD2-CE2 4.49Å; L571-F621 HydrophobicContact CD2-CZ 3.97Å
572S98.6Very high94.8Very high7 Ų736 Ų365%0.04919%0.186CC..EExtended strand (participates in β ladder)trans-111.9123.7173-1740000110F586 Y594 I596S572-F586 VanDerWaalsContact O-CZ 3.31Å; S572-F586 WeakPolarHBondContact O-CZ 3.32Å; S572-Y594 PolarHBondContact N-O 2.66Å; S572-I596 PolarHBondContact O-N 3.45Å
573T98.6Very high94.7Very high1 Ų136.8 Ų36.81%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-131.1145.8-169.673.50000111.8Q452 I455 Y470 E471 S472 I596Q452-T573 PolarHBondContact NE2-OG1 2.83Å; I455-T573 HydrophobicContact CD1-CG2 4.27Å; Y470-T573 WeakPolarHBondContact O-CB 3.38Å; Y470-T573 PolarHBondContact O-N 2.98Å; Y470-T573 PolarHBondContact O-OG1 3.13Å; E471-T573 WeakPolarHBondContact CA-O 3.45Å; E471-T573 WeakPolarHBondContact CA-OG1 3.32Å; E471-T573 WeakPolarHBondContact CB-OG1 3.34Å; S472-T573 PolarHBondContact N-O 3.31Å; T573-I596 WeakPolarHBondContact CA-O 3.36Å; T573-I596 HydrophobicContact CG2-CB 4.17Å; T573-I596 HydrophobicContact CG2-CD1 4.25Å
574S97.2Very high94.7Very high30 Ų3036.4 Ų36.421%0.2119%0.19CC..EExtended strand (participates in β ladder)trans-148.6131.3174.4-168.30000111.2I596 Y598S574-I596 PolarHBondContact N-O 3.17Å; S574-Y598 VanDerWaalsContact C-CE1 3.48Å; S574-Y598 VanDerWaalsContact O-CD1 3.31Å; S574-Y598 WeakPolarHBondContact O-CD1 3.27Å; S574-Y598 PolarHBondContact O-N 3.19Å
575S94Very high94.7Very high54 Ų5428.7 Ų28.738%0.37816%0.16SC..EExtended strand (participates in β ladder)trans-80.2126.5171.6-175.20000110.2T577 Y598S575-T577 PolarHBondContact OG-OG1 3.44Å; S575-T577 VanDerWaalsContact OG-OG1 3.13Å; S575-Y598 CarbonylContact C-O 3.52Å; S575-Y598 WeakPolarHBondContact CA-O 2.97Å
576L89.3Confident94.8Very high35 Ų3527.4 Ų27.418%0.18315%0.153CC..  trans-118.631.7-177.6-53.7176.2000110.6L122 S578 G584 Y598L122-L576 HydrophobicContact CD2-CB 4.2Å; L122-L576 HydrophobicContact CD2-CD1 3.89Å; L122-L576 HydrophobicContact CD2-CD2 4.12Å; L122-L576 HydrophobicContact CD2-CG 4.29Å; L576-S578 PolarHBondContact O-N 3.49Å; L576-G584 WeakPolarHBondContact CD1-O 3.35Å; L576-Y598 PolarHBondContact N-O 2.74Å
577T87.1Confident94.9Very high43 Ų4327.5 Ų27.526%0.26415%0.153SC..  trans-72.1110.8-170.6-59.60000111.3S575 S599 V600S575-T577 PolarHBondContact OG-OG1 3.44Å; S575-T577 VanDerWaalsContact OG-OG1 3.13Å; T577-S599 WeakPolarHBondContact OG1-CA 3.42Å; T577-V600 WeakPolarHBondContact CG2-O 3.46Å; T577-V600 PolarHBondContact OG1-N 3.08Å
578S89.9Confident95Very high10 Ų1024.8 Ų24.87%0.0714%0.139CC..  trans-151.9147.2169.7169.10000109.7E368 L576 S580 I581E368-S578 WeakPolarHBondContact CG-OG 3.46Å; E368-S578 VanDerWaalsContact OE1-CB 3.24Å; E368-S578 WeakPolarHBondContact OE1-CB 3.44Å; E368-S578 PolarHBondContact OE1-OG 2.96Å; L576-S578 PolarHBondContact O-N 3.49Å; S578-S580 PolarHBondContact O-N 2.78Å; S578-S580 PolarHBondContact OG-N 2.86Å; S578-I581 PolarHBondContact O-N 3.23Å
579D88.2Confident94.9Very high106 Ų10625.1 Ų25.157%0.56715%0.145SC*.THydrogen-bonded Turntrans-71.4-15.3179.6-62.2-25000112.2K125K125-D579 WeakPolarHBondContact CD-O 3.48Å
580S92Very high94.9Very high10 Ų1024.7 Ų24.77%0.0715%0.145CC..THydrogen-bonded Turntrans-90.1-9.9177-58.60000113.5W124 K125 S578W124-S580 WeakPolarHBondContact CA-O 3.47Å; K125-S580 PolarHBondContact N-O 2.79Å; S578-S580 PolarHBondContact O-N 2.78Å; S578-S580 PolarHBondContact OG-N 2.86Å
581I93.6Very high94.7Very high5 Ų528.1 Ų28.13%0.02617%0.167CC..EExtended strand (participates in β ladder)trans-104.7126.7-174.2-58.6-56.1000109.8L122 V123 L364 M367 S578 L583L122-I581 HydrophobicContact CB-CD1 4.25Å; L122-I581 HydrophobicContact CD2-CG2 4.31Å; V123-I581 CarbonylContact O-C 3.52Å; V123-I581 WeakPolarHBondContact O-CA 3.26Å; L364-I581 HydrophobicContact CD1-CD1 4.36Å; L364-I581 HydrophobicContact CD1-CG1 3.87Å; M367-I581 HydrophobicContact CB-CD1 4.22Å; M367-I581 HydrophobicContact CE-CD1 3.48Å; M367-I581 VanDerWaalsContact CE-CD1 3.48Å; M367-I581 HydrophobicContact SD-CD1 3.83Å; S578-I581 PolarHBondContact O-N 3.23Å; I581-L583 WeakPolarHBondContact CG2-O 3.29Å
582L92Very high94.7Very high62 Ų6230 Ų3033%0.32518%0.178SC..EExtended strand (participates in β ladder)trans-76.3-52.9174.6177.361.2000110.5V123 W124 K125 L348V123-L582 HydrophobicContact CG1-CB 4.48Å; V123-L582 HydrophobicContact CG1-CD2 4.31Å; V123-L582 PolarHBondContact O-N 3.21Å; W124-L582 WeakPolarHBondContact O-CB 3.3Å; K125-L582 HydrophobicContact CG-CB 4.08Å; L348-L582 HydrophobicContact CD1-CD2 4.3Å
583L93.6Very high94.6Very high22 Ų2229.8 Ų29.812%0.11518%0.176CC..EExtended strand (participates in β ladder)trans-158.9165.2-179.259.484.5000109.8F121 V123 A318 V321 I581 I608F121-L583 HydrophobicContact CE2-CD1 3.46Å; F121-L583 VanDerWaalsContact CE2-CD1 3.46Å; F121-L583 HydrophobicContact CZ-CD1 4.05Å; V123-L583 HydrophobicContact CB-CD1 4.03Å; V123-L583 HydrophobicContact CB-CG 4.18Å; V123-L583 HydrophobicContact CG2-CD1 3.58Å; V123-L583 HydrophobicContact CG2-CG 4.27Å; V123-L583 PolarHBondContact N-O 3.33Å; A318-L583 HydrophobicContact CB-CD2 3.92Å; V321-L583 HydrophobicContact CG1-CD1 4.26Å; V321-L583 HydrophobicContact CG1-CD2 4.33Å; I581-L583 WeakPolarHBondContact CG2-O 3.29Å; L583-I608 HydrophobicContact CB-CD1 4.1Å; L583-I608 HydrophobicContact CB-CG1 4Å; L583-I608 HydrophobicContact CD1-CD1 4.27Å; L583-I608 HydrophobicContact CD1-CG1 4.28Å; L583-I608 HydrophobicContact CD2-CD1 4.26Å; L583-I608 HydrophobicContact CG-CD1 4.46Å
584G96.1Very high94.6Very high4 Ų429.8 Ų29.84%0.04118%0.176CC..EExtended strand (participates in β ladder)trans-166.3160.5175.200000110.6F121 L576 I608F121-G584 CarbonylContact O-C 3.41Å; F121-G584 WeakPolarHBondContact O-CA 3.19Å; L576-G584 WeakPolarHBondContact CD1-O 3.35Å; G584-I608 WeakPolarHBondContact O-CB 3.48Å; G584-I608 WeakPolarHBondContact O-CG1 3.41Å
585G97Very high94.7Very high0 Ų028.3 Ų28.30%017%0.166CC..EExtended strand (participates in β ladder)trans-170.9178.4-173.900000113.5P120 F121P120-G585 WeakPolarHBondContact CA-O 3.3Å; P120-G585 WeakPolarHBondContact CB-O 3.07Å; F121-G585 WeakPolarHBondContact CD1-O 3.29Å; F121-G585 PolarHBondContact N-O 2.73Å; F121-G585 PolarHBondContact O-N 3.16Å
586F98.2Very high94.9Very high30 Ų3025.8 Ų25.813%0.13215%0.148CC..  trans-155.6162.2-178.955.6-83.3000108.8P120 S572 T610P120-F586 HydrophobicContact CB-CB 4Å; S572-F586 VanDerWaalsContact O-CZ 3.31Å; S572-F586 WeakPolarHBondContact O-CZ 3.32Å; F586-T610 VanDerWaalsContact O-CG2 3.31Å; F586-T610 WeakPolarHBondContact O-CG2 3.36Å; F586-T610 PolarHBondContact O-OG1 3.01Å
587G97.8Very high95.3Very high1 Ų124.2 Ų24.21%0.0114%0.14CC..  trans-75.3167.517600000113.2I116 T610I116-G587 VanDerWaalsContact O-CA 3.27Å; I116-G587 WeakPolarHBondContact O-CA 3.23Å; I116-G587 PolarHBondContact O-N 3.13Å; G587-T610 WeakPolarHBondContact CA-OG1 3.43Å
588P98.1Very high95.8Very high1 Ų122.3 Ų22.31%0.00613%0.128CC..  trans-61.8140.4171.7-19.732.9000111.4L425 V590 T610 Y612L425-P588 HydrophobicContact CD1-CG 4.38Å; P588-V590 VanDerWaalsContact C-N 3.31Å; P588-V590 WeakPolarHBondContact CB-O 2.99Å; P588-T610 WeakPolarHBondContact CD-OG1 3.34Å; P588-Y612 HydrophobicContact CB-CD2 4.35Å; P588-Y612 HydrophobicContact CB-CE2 4.34Å; P588-Y612 HydrophobicContact CG-CD2 4.11Å; P588-Y612 HydrophobicContact CG-CE2 4.26Å
589V97Very high96Very high72 Ų7222.6 Ų22.644%0.43613%0.13SC..SBendtrans-82.4-10.5178.1-58.60000113.4F569F569-V589 HydrophobicContact CB-CG2 3.98Å
590V96.9Very high96.3Very high18 Ų1817.9 Ų17.911%0.10911%0.105CC..SBendtrans-138.3150.2173.3-64.20000109.9F569 P588 D592 G593F569-V590 WeakPolarHBondContact O-CG2 3.33Å; P588-V590 VanDerWaalsContact C-N 3.31Å; P588-V590 WeakPolarHBondContact CB-O 2.99Å; V590-D592 VanDerWaalsContact C-N 3.28Å; V590-D592 PolarHBondContact O-N 2.93Å; V590-G593 PolarHBondContact O-N 3.28Å
591P95.8Very high96.3Very high80 Ų8017.6 Ų17.652%0.51910%0.103SC..THydrogen-bonded Turntrans-58.8-32.2-173.1-28.236.2000115.4K615P591-K615 WeakPolarHBondContact O-CG 3.35Å
592D97.1Very high96.2Very high40 Ų4020.8 Ų20.821%0.21412%0.12CC..THydrogen-bonded Turntrans-97.914.917869.3-49.8000112.8H568 T570 V590 K615 R616H568-D592 IonicContact CD2-OD1 2.79Å; H568-D592 IonicContact CE1-OD1 2.87Å; H568-D592 PolarHBondContact CE1-OD1 3Å; H568-D592 IonicContact NE2-OD1 3.89Å; H568-D592 PolarHBondContact NE2-OD1 2.91Å; H568-D592 IonicContact NE2-OD2 3.66Å; T570-D592 WeakPolarHBondContact CG2-O 3.45Å; V590-D592 VanDerWaalsContact C-N 3.28Å; V590-D592 PolarHBondContact O-N 2.93Å; D592-K615 HydrophobicContact CB-CB 4.13Å; D592-K615 HydrophobicContact CB-CG 4.21Å; D592-R616 PolarHBondContact O-NE 2.64Å; D592-R616 PolarHBondContact O-NH2 3.1Å; D592-R616 IonicContact OD2-NH2 3.7Å
593G98.1Very high96.2Very high1 Ų123.6 Ų23.61%0.0113%0.131CC..  trans-99.6-178.9-176.600000114.6T570 V590T570-G593 CarbonylContact O-C 3.5Å; T570-G593 WeakPolarHBondContact O-CA 3.3Å; V590-G593 PolarHBondContact O-N 3.28Å
594Y98.7Very high96.2Very high1 Ų124.6 Ų24.60%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-121135.6170-60-90.7000109.8F459 H463 T570 L571 S572 T610 A611 R616 L618 F621F459-Y594 HydrophobicContact CD2-CD2 4.21Å; F459-Y594 AromaticContact CD2-CE2 3.95Å; F459-Y594 HydrophobicContact CD2-CE2 3.95Å; F459-Y594 HydrophobicContact CE2-CD2 4.13Å; F459-Y594 AromaticContact CE2-CE2 3.78Å; F459-Y594 HydrophobicContact CE2-CE2 3.78Å; H463-Y594 PolarHBondContact CE1-OH 3.36Å; H463-Y594 AromaticContact NE2-CE2 3.95Å; H463-Y594 AromaticContact NE2-CZ 3.91Å; H463-Y594 PolarHBondContact NE2-OH 2.78Å; T570-Y594 PolarHBondContact O-N 2.76Å; L571-Y594 HydrophobicContact CD2-CD2 3.95Å; L571-Y594 HydrophobicContact CD2-CG 4.4Å; S572-Y594 PolarHBondContact N-O 2.66Å; Y594-T610 VanDerWaalsContact CA-O 3.3Å; Y594-T610 WeakPolarHBondContact CA-O 3.37Å; Y594-A611 HydrophobicContact CD1-CB 3.78Å; Y594-A611 HydrophobicContact CE1-CB 3.93Å; Y594-R616 HydrophobicContact CE1-CB 4.1Å; Y594-R616 HydrophobicContact CE1-CG 4.29Å; Y594-R616 HydrophobicContact CE2-CG 4.13Å; Y594-R616 WeakPolarHBondContact OH-CD 3.5Å; Y594-L618 HydrophobicContact CD1-CD1 3.94Å; Y594-L618 HydrophobicContact CE1-CD1 4.06Å; Y594-F621 HydrophobicContact CD1-CB 4.37Å; Y594-F621 AromaticContact CD1-CD1 3.72Å; Y594-F621 HydrophobicContact CD1-CD1 3.72Å; Y594-F621 HydrophobicContact CD1-CE1 4.17Å; Y594-F621 AromaticContact CD1-CG 3.99Å; Y594-F621 HydrophobicContact CD1-CG 3.99Å; Y594-F621 HydrophobicContact CE1-CB 3.56Å; Y594-F621 AromaticContact CE1-CD1 3.78Å; Y594-F621 HydrophobicContact CE1-CD1 3.78Å; Y594-F621 HydrophobicContact CE1-CD2 4.18Å; Y594-F621 AromaticContact CE1-CG 3.56Å; Y594-F621 HydrophobicContact CE1-CG 3.56Å; Y594-F621 HydrophobicContact CE2-CD2 4.24Å; Y594-F621 HydrophobicContact CE2-CE2 4.5Å; Y594-F621 HydrophobicContact CE2-CG 4.42Å; Y594-F621 HydrophobicContact CG-CD1 4.25Å; Y594-F621 HydrophobicContact CG-CE1 4.26Å; Y594-F621 AromaticContact CZ-CD2 3.95Å; Y594-F621 AromaticContact CZ-CG 3.8Å
595G98.6Very high96.2Very high0 Ų024.4 Ų24.40%013%0.133CC..EExtended strand (participates in β ladder)trans-96124.4163.800000109.6L609 T610G595-L609 CarbonylContact O-C 3.6Å; G595-L609 WeakPolarHBondContact O-CA 3.44Å; G595-T610 WeakPolarHBondContact CA-OG1 3.32Å; G595-T610 PolarHBondContact N-O 3.09Å; G595-T610 PolarHBondContact N-OG1 3.41Å; G595-T610 PolarHBondContact O-N 3.31Å; G595-T610 PolarHBondContact O-OG1 3.12Å
596I98.6Very high96.1Very high0 Ų024.8 Ų24.80%014%0.138CC..EExtended strand (participates in β ladder)trans-127.897.7-175.1-50.2175.2000109.6I455 L571 S572 T573 S574 L609 F621I455-I596 HydrophobicContact CD1-CD1 4.2Å; I455-I596 HydrophobicContact CD1-CG2 4.13Å; I455-I596 HydrophobicContact CG1-CD1 4.34Å; I455-I596 HydrophobicContact CG2-CD1 3.93Å; L571-I596 HydrophobicContact CD2-CD1 3.95Å; S572-I596 PolarHBondContact O-N 3.45Å; T573-I596 WeakPolarHBondContact CA-O 3.36Å; T573-I596 HydrophobicContact CG2-CB 4.17Å; T573-I596 HydrophobicContact CG2-CD1 4.25Å; S574-I596 PolarHBondContact N-O 3.17Å; I596-L609 HydrophobicContact CG1-CD2 4.46Å; I596-L609 HydrophobicContact CG2-CG 4.5Å; I596-F621 HydrophobicContact CD1-CE1 3.79Å; I596-F621 HydrophobicContact CD1-CZ 4.05Å
597G97.8Very high96.1Very high2 Ų223.6 Ų23.62%0.02113%0.133CC..EExtended strand (participates in β ladder)trans-87127.4166.800000109.4C607 I608G597-C607 CarbonylContact O-C 3.38Å; G597-C607 WeakPolarHBondContact O-CA 3.49Å; G597-I608 PolarHBondContact N-O 3.21Å; G597-I608 PolarHBondContact O-N 3.49Å
598Y97.2Very high96.1Very high4 Ų423.9 Ų23.92%0.01613%0.134CC..EExtended strand (participates in β ladder)trans-137156.1-177.565.5-89.5000113.4D448 L451 Q452 S574 S575 L576 G606D448-Y598 WeakPolarHBondContact OD1-CE2 3.26Å; D448-Y598 PolarHBondContact OD1-OH 3.08Å; L451-Y598 HydrophobicContact CD2-CD1 4.29Å; L451-Y598 HydrophobicContact CD2-CD2 3.3Å; L451-Y598 HydrophobicContact CD2-CE2 3.99Å; L451-Y598 HydrophobicContact CD2-CG 3.46Å; L451-Y598 VanDerWaalsContact CD2-CG 3.46Å; L451-Y598 HydrophobicContact CG-CD2 4.44Å; Q452-Y598 PolarHBondContact NE2-OH 2.66Å; S574-Y598 VanDerWaalsContact C-CE1 3.48Å; S574-Y598 VanDerWaalsContact O-CD1 3.31Å; S574-Y598 WeakPolarHBondContact O-CD1 3.27Å; S574-Y598 PolarHBondContact O-N 3.19Å; S575-Y598 CarbonylContact C-O 3.52Å; S575-Y598 WeakPolarHBondContact CA-O 2.97Å; L576-Y598 PolarHBondContact N-O 2.74Å; Y598-G606 CarbonylContact C-O 3.55Å; Y598-G606 VanDerWaalsContact CA-O 3.23Å; Y598-G606 WeakPolarHBondContact CA-O 3.43Å; Y598-G606 WeakPolarHBondContact CB-O 3.42Å
599S94.5Very high96.1Very high15 Ų1523.8 Ų23.811%0.10513%0.134CC..EExtended strand (participates in β ladder)trans-137.8142.6172.764.60000110.3T577 L605 G606T577-S599 WeakPolarHBondContact OG1-CA 3.42Å; S599-L605 WeakPolarHBondContact O-CA 3.21Å; S599-G606 PolarHBondContact N-O 2.66Å; S599-G606 PolarHBondContact O-N 2.9Å
600V94Very high96.2Very high7 Ų720.4 Ų20.44%0.04211%0.113CC..EExtended strand (participates in β ladder)trans-129.897.7170.8-165.40000108.6R437 L440 P447 L451 T577 L605R437-V600 HydrophobicContact CB-CG1 4.3Å; R437-V600 PolarHBondContact NE-O 2.98Å; R437-V600 VanDerWaalsContact NE-O 3.16Å; R437-V600 PolarHBondContact NH2-O 3.46Å; L440-V600 HydrophobicContact CD1-CG1 4.14Å; P447-V600 HydrophobicContact CB-CB 4.1Å; P447-V600 HydrophobicContact CB-CG1 3.78Å; P447-V600 HydrophobicContact CB-CG2 4.49Å; L451-V600 HydrophobicContact CD2-CG2 4.28Å; T577-V600 WeakPolarHBondContact CG2-O 3.46Å; T577-V600 PolarHBondContact OG1-N 3.08Å; V600-L605 HydrophobicContact CG1-CB 4.41Å; V600-L605 HydrophobicContact CG2-CB 4.47Å; V600-L605 HydrophobicContact CG2-CD1 4.09Å; V600-L605 HydrophobicContact CG2-CG 4.07Å
601N91.5Very high96.3Very high4 Ų419.6 Ų19.62%0.02111%0.108CC..  trans-103.4-175.2177.66929.7000110.4N436 R437 E603 Q604N436-N601 WeakPolarHBondContact CB-O 3.15Å; R437-N601 WeakPolarHBondContact CB-O 3.3Å; R437-N601 PolarHBondContact N-O 2.84Å; N601-E603 PolarHBondContact O-N 3.03Å; N601-E603 WeakPolarHBondContact OD1-CA 3.4Å; N601-E603 WeakPolarHBondContact OD1-CB 3.49Å; N601-E603 PolarHBondContact OD1-N 3.24Å; N601-Q604 PolarHBondContact N-O 2.84Å; N601-Q604 VanDerWaalsContact N-O 3.09Å; N601-Q604 PolarHBondContact OD1-N 3.08Å; N601-Q604 PolarHBondContact OD1-O 3.35Å
602D92.4Very high96.4Very high72 Ų7216.7 Ų16.739%0.3859%0.087SC..SBendtrans-76.4-11-177.6-68.3-56.4000113.5R437 T438R437-D602 WeakPolarHBondContact CB-OD1 3.47Å; R437-D602 WeakPolarHBondContact CD-OD1 3.18Å; R437-D602 IonicContact CZ-OD2 2.85Å; R437-D602 IonicContact NH1-OD2 2.7Å; R437-D602 PolarHBondContact NH1-OD2 3.26Å; T438-D602 PolarHBondContact N-OD1 3.3Å; T438-D602 PolarHBondContact OG1-OD1 3.39Å
603E91.6Very high96.4Very high122 Ų12218.6 Ų18.657%0.5710%0.1SC*.SBendtrans-94.6-41.2178.9-58.7167.616700112K125 N601K125-E603 IonicContact NZ-OE1 3.2Å; K125-E603 IonicContact NZ-OE2 2.72Å; K125-E603 PolarHBondContact NZ-OE2 3.07Å; N601-E603 PolarHBondContact O-N 3.03Å; N601-E603 WeakPolarHBondContact OD1-CA 3.4Å; N601-E603 WeakPolarHBondContact OD1-CB 3.49Å; N601-E603 PolarHBondContact OD1-N 3.24Å
604Q93.9Very high96.2Very high42 Ų4222.7 Ų22.720%0.19613%0.128CC..  trans-162.6166.2-170.865.3-172.19.200114.1I431 L435 N601I431-Q604 HydrophobicContact CG2-CB 4.4Å; I431-Q604 HydrophobicContact CG2-CG 4.43Å; L435-Q604 CarbonylContact O-C 3.29Å; L435-Q604 VanDerWaalsContact O-C 3.29Å; N601-Q604 PolarHBondContact N-O 2.84Å; N601-Q604 VanDerWaalsContact N-O 3.09Å; N601-Q604 PolarHBondContact OD1-N 3.08Å; N601-Q604 PolarHBondContact OD1-O 3.35Å
605L95.8Very high96.1Very high0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-101.7128.4161.6177.6155.5000107.8I431 M432 L435 L451 S599 V600 L629I431-L605 WeakPolarHBondContact CA-O 3.49Å; M432-L605 PolarHBondContact N-O 2.97Å; M432-L605 PolarHBondContact O-N 3.1Å; L435-L605 HydrophobicContact CB-CB 4.09Å; L435-L605 HydrophobicContact CB-CD1 4.38Å; L435-L605 WeakPolarHBondContact O-CA 3.47Å; L435-L605 WeakPolarHBondContact O-CB 3.29Å; L435-L605 PolarHBondContact O-N 2.64Å; L451-L605 HydrophobicContact CB-CD1 4.28Å; L451-L605 HydrophobicContact CD1-CD1 4.22Å; L451-L605 HydrophobicContact CD1-CD2 4.37Å; L451-L605 HydrophobicContact CD2-CD1 4.21Å; L451-L605 HydrophobicContact CD2-CG 4.33Å; L451-L605 HydrophobicContact CG-CD1 4.47Å; S599-L605 WeakPolarHBondContact O-CA 3.21Å; V600-L605 HydrophobicContact CG1-CB 4.41Å; V600-L605 HydrophobicContact CG2-CB 4.47Å; V600-L605 HydrophobicContact CG2-CD1 4.09Å; V600-L605 HydrophobicContact CG2-CG 4.07Å; L605-L629 HydrophobicContact CD1-CD2 4.19Å; L605-L629 HydrophobicContact CD2-CD1 4.13Å
606G95.1Very high95.9Very high9 Ų930.6 Ų30.69%0.09316%0.162CC..EExtended strand (participates in β ladder)trans-129.4143.817900000111.7L430 Y598 S599L430-G606 CarbonylContact O-C 3.5Å; L430-G606 WeakPolarHBondContact O-CA 3.39Å; Y598-G606 CarbonylContact C-O 3.55Å; Y598-G606 VanDerWaalsContact CA-O 3.23Å; Y598-G606 WeakPolarHBondContact CA-O 3.43Å; Y598-G606 WeakPolarHBondContact CB-O 3.42Å; S599-G606 PolarHBondContact N-O 2.66Å; S599-G606 PolarHBondContact O-N 2.9Å
607C97.4Very high95.8Very high4 Ų437.8 Ų37.83%0.02719%0.193CC..EExtended strand (participates in β ladder)trans-134.7138.1172.4-610000110.3S429 L430 G597 L609S429-C607 CarbonylContact C-O 3.6Å; S429-C607 VanDerWaalsContact CA-O 3.25Å; S429-C607 WeakPolarHBondContact CA-O 3.44Å; L430-C607 HydrophobicContact CB-CB 4.39Å; L430-C607 PolarHBondContact N-O 2.98Å; L430-C607 PolarHBondContact O-N 3.43Å; G597-C607 CarbonylContact O-C 3.38Å; G597-C607 WeakPolarHBondContact O-CA 3.49Å; C607-L609 HydrophobicContact CB-CD1 3.67Å; C607-L609 HydrophobicContact CB-CG 4.23Å
608I97.8Very high95.7Very high7 Ų737.9 Ų37.94%0.03619%0.193CC..EExtended strand (participates in β ladder)trans-106.5120.9159.7-60.3-60.4000106.9F121 L427 L583 G584 G597F121-I608 HydrophobicContact CZ-CG2 4.31Å; L427-I608 HydrophobicContact CD1-CG2 3.99Å; L427-I608 HydrophobicContact CD2-CG2 4.05Å; L427-I608 HydrophobicContact CG-CG2 3.94Å; L583-I608 HydrophobicContact CB-CD1 4.1Å; L583-I608 HydrophobicContact CB-CG1 4Å; L583-I608 HydrophobicContact CD1-CD1 4.27Å; L583-I608 HydrophobicContact CD1-CG1 4.28Å; L583-I608 HydrophobicContact CD2-CD1 4.26Å; L583-I608 HydrophobicContact CG-CD1 4.46Å; G584-I608 WeakPolarHBondContact O-CB 3.48Å; G584-I608 WeakPolarHBondContact O-CG1 3.41Å; G597-I608 PolarHBondContact N-O 3.21Å; G597-I608 PolarHBondContact O-N 3.49Å
609L98.5Very high95.8Very high0 Ų041.9 Ų41.90%022%0.215CC..EExtended strand (participates in β ladder)trans-114.6139.4-176.9-5495.3000109.2L427 K428 L430 G595 I596 C607 L618 F621 V622 L625L427-L609 CarbonylContact C-O 3.57Å; L427-L609 VanDerWaalsContact CA-O 3.28Å; L427-L609 WeakPolarHBondContact CA-O 3.46Å; K428-L609 PolarHBondContact N-O 2.99Å; K428-L609 PolarHBondContact O-N 2.84Å; L430-L609 HydrophobicContact CB-CD1 4.18Å; G595-L609 CarbonylContact O-C 3.6Å; G595-L609 WeakPolarHBondContact O-CA 3.44Å; I596-L609 HydrophobicContact CG1-CD2 4.46Å; I596-L609 HydrophobicContact CG2-CG 4.5Å; C607-L609 HydrophobicContact CB-CD1 3.67Å; C607-L609 HydrophobicContact CB-CG 4.23Å; L609-L618 HydrophobicContact CB-CD1 3.88Å; L609-L618 WeakPolarHBondContact O-CD2 3.26Å; L609-F621 HydrophobicContact CD2-CD1 3.67Å; L609-F621 HydrophobicContact CD2-CE1 3.64Å; L609-V622 HydrophobicContact CD1-CG2 4.16Å; L609-V622 HydrophobicContact CD2-CG2 4.44Å; L609-L625 HydrophobicContact CD2-CD2 3.86Å
610T98.6Very high95.9Very high0 Ų044.8 Ų44.80%023%0.229CC..EExtended strand (participates in β ladder)trans-131.1146.1176.461.30000110.6L326 D426 L427 F586 G587 P588 Y594 G595L326-T610 HydrophobicContact CD2-CG2 4.29Å; D426-T610 VanDerWaalsContact O-CA 3.29Å; D426-T610 WeakPolarHBondContact O-CA 3.44Å; L427-T610 HydrophobicContact CB-CG2 4.2Å; L427-T610 HydrophobicContact CD1-CG2 3.83Å; L427-T610 HydrophobicContact CG-CG2 3.94Å; F586-T610 VanDerWaalsContact O-CG2 3.31Å; F586-T610 WeakPolarHBondContact O-CG2 3.36Å; F586-T610 PolarHBondContact O-OG1 3.01Å; G587-T610 WeakPolarHBondContact CA-OG1 3.43Å; P588-T610 WeakPolarHBondContact CD-OG1 3.34Å; Y594-T610 VanDerWaalsContact CA-O 3.3Å; Y594-T610 WeakPolarHBondContact CA-O 3.37Å; G595-T610 WeakPolarHBondContact CA-OG1 3.32Å; G595-T610 PolarHBondContact N-O 3.09Å; G595-T610 PolarHBondContact N-OG1 3.41Å; G595-T610 PolarHBondContact O-N 3.31Å; G595-T610 PolarHBondContact O-OG1 3.12Å
611A98.5Very high96.2Very high1 Ų144.5 Ų44.51%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-156.9152173.300000111D426 Y594 R616 L618D426-A611 PolarHBondContact N-O 3.4Å; D426-A611 PolarHBondContact O-N 2.94Å; D426-A611 VanDerWaalsContact O-N 3.14Å; Y594-A611 HydrophobicContact CD1-CB 3.78Å; Y594-A611 HydrophobicContact CE1-CB 3.93Å; A611-R616 HydrophobicContact CB-CB 3.96Å; A611-L618 HydrophobicContact CB-CB 4.33Å; A611-L618 HydrophobicContact CB-CD1 4Å
612Y98.3Very high96.5Very high20 Ų2045.3 Ų45.38%0.07823%0.232CC..EExtended strand (participates in β ladder)trans-79.3127.3171.1-71.1-69.9000110.9W421 S424 L425 P588 S614 K615 R616W421-Y612 AromaticContact CD1-CE1 3.8Å; W421-Y612 AromaticContact NE1-CE1 3.39Å; W421-Y612 AromaticContact NE1-CZ 3.61Å; W421-Y612 PolarHBondContact NE1-OH 3.42Å; S424-Y612 CarbonylContact O-C 3.45Å; S424-Y612 WeakPolarHBondContact O-CA 3.42Å; L425-Y612 HydrophobicContact CB-CE1 4.44Å; L425-Y612 HydrophobicContact CD1-CD1 4.13Å; L425-Y612 HydrophobicContact CD1-CE1 4.02Å; P588-Y612 HydrophobicContact CB-CD2 4.35Å; P588-Y612 HydrophobicContact CB-CE2 4.34Å; P588-Y612 HydrophobicContact CG-CD2 4.11Å; P588-Y612 HydrophobicContact CG-CE2 4.26Å; Y612-S614 PolarHBondContact O-N 2.77Å; Y612-K615 PolarHBondContact O-N 3.29Å; Y612-K615 VanDerWaalsContact O-N 3.1Å; Y612-R616 PolarHBondContact O-N 2.86Å
613T96.9Very high96.8Very high79 Ų7946.7 Ų46.749%0.48524%0.237SC..THydrogen-bonded Turntrans-64.3-23-177.357.80000112.8S424 D426 K615S424-T613 PolarHBondContact O-N 3.06Å; S424-T613 PolarHBondContact O-OG1 3.42Å; S424-T613 VanDerWaalsContact O-OG1 3.1Å; D426-T613 HydrophobicContact CB-CG2 3.91Å; T613-K615 PolarHBondContact O-N 3.1Å
614S95.2Very high97.1Very high87 Ų8741.4 Ų41.461%0.60821%0.213SC*.THydrogen-bonded Turntrans-68.3-18.5176.363.20000113.9Y612Y612-S614 PolarHBondContact O-N 2.77Å
615K95.3Very high97.3Very high135 Ų13539.4 Ų39.459%0.58720%0.204SC*.THydrogen-bonded Turntrans-125-30.6-176.4-63.8-61-177.1-1770113.8P591 D592 Y612 T613P591-K615 WeakPolarHBondContact O-CG 3.35Å; D592-K615 HydrophobicContact CB-CB 4.13Å; D592-K615 HydrophobicContact CB-CG 4.21Å; Y612-K615 PolarHBondContact O-N 3.29Å; Y612-K615 VanDerWaalsContact O-N 3.1Å; T613-K615 PolarHBondContact O-N 3.1Å
616R95Very high97.4Very high32 Ų3243.6 Ų43.612%0.12122%0.222CC..  trans-135.7148.4-172.6-58.5-61.2-174.1-178.3-6.3111.1H463 Y465 D592 Y594 A611 Y612H463-R616 PolarHBondContact CE1-NH1 3.16Å; H463-R616 PolarHBondContact ND1-NH1 2.75Å; Y465-R616 PolarHBondContact OH-NH2 3.22Å; D592-R616 PolarHBondContact O-NE 2.64Å; D592-R616 PolarHBondContact O-NH2 3.1Å; D592-R616 IonicContact OD2-NH2 3.7Å; Y594-R616 HydrophobicContact CE1-CB 4.1Å; Y594-R616 HydrophobicContact CE1-CG 4.29Å; Y594-R616 HydrophobicContact CE2-CG 4.13Å; Y594-R616 WeakPolarHBondContact OH-CD 3.5Å; A611-R616 HydrophobicContact CB-CB 3.96Å; Y612-R616 PolarHBondContact O-N 2.86Å
617K95.7Very high97.6Very high152 Ų15245.3 Ų45.366%0.66123%0.23SC*.  trans-98.3108.2166.6-67.4-178.8178.1-178.20108.1D620K617-D620 HydrophobicContact CB-CB 4.3Å; K617-D620 WeakPolarHBondContact CB-OD2 3.18Å; K617-D620 VanDerWaalsContact CD-OD2 3.24Å; K617-D620 WeakPolarHBondContact CD-OD2 3.39Å; K617-D620 PolarHBondContact O-N 3.5Å
618L97.6Very high97.7Very high3 Ų345.1 Ų45.12%0.01623%0.229CC..Hα-helixtrans-70.1-36-172.2-173.956.6000112.3D426 K428 Y594 L609 A611 D620 F621 V622D426-L618 HydrophobicContact CB-CB 4.08Å; D426-L618 HydrophobicContact CB-CD2 3.85Å; D426-L618 WeakPolarHBondContact O-CD2 3.47Å; D426-L618 WeakPolarHBondContact OD2-CB 3.43Å; K428-L618 HydrophobicContact CB-CD2 3.99Å; K428-L618 HydrophobicContact CB-CG 4.22Å; K428-L618 HydrophobicContact CG-CB 4.45Å; K428-L618 HydrophobicContact CG-CD2 3.63Å; K428-L618 HydrophobicContact CG-CG 3.81Å; Y594-L618 HydrophobicContact CD1-CD1 3.94Å; Y594-L618 HydrophobicContact CE1-CD1 4.06Å; L609-L618 HydrophobicContact CB-CD1 3.88Å; L609-L618 WeakPolarHBondContact O-CD2 3.26Å; A611-L618 HydrophobicContact CB-CB 4.33Å; A611-L618 HydrophobicContact CB-CD1 4Å; L618-D620 VanDerWaalsContact C-N 3.31Å; L618-D620 PolarHBondContact O-N 2.79Å; L618-F621 PolarHBondContact O-N 2.88Å; L618-F621 VanDerWaalsContact O-N 3.09Å; L618-V622 HydrophobicContact CG-CG2 4.37Å; L618-V622 WeakPolarHBondContact O-CG2 3.27Å; L618-V622 PolarHBondContact O-N 3.42Å
619D97.6Very high97.7Very high88 Ų8844.8 Ų44.847%0.47123%0.227SC..Hα-helixtrans-56.4-43.4176.4-72.2-34.7000112.2K428 F621 V622 E623K428-D619 WeakPolarHBondContact CE-OD1 3.16Å; K428-D619 IonicContact NZ-OD1 3.81Å; K428-D619 PolarHBondContact NZ-OD1 3.46Å; K428-D619 IonicContact NZ-OD2 2.94Å; K428-D619 PolarHBondContact NZ-OD2 2.92Å; D619-F621 VanDerWaalsContact C-N 3.29Å; D619-F621 PolarHBondContact O-N 3.12Å; D619-V622 PolarHBondContact O-N 2.82Å; D619-E623 PolarHBondContact O-N 2.86Å
620D98Very high97.7Very high77 Ų7747.6 Ų47.641%0.41224%0.243SC..Hα-helixtrans-61.8-38.4177.3-62-15.3000111.6L462 K617 L618 S624L462-D620 HydrophobicContact CD1-CB 3.91Å; L462-D620 HydrophobicContact CD2-CB 3.91Å; K617-D620 HydrophobicContact CB-CB 4.3Å; K617-D620 WeakPolarHBondContact CB-OD2 3.18Å; K617-D620 VanDerWaalsContact CD-OD2 3.24Å; K617-D620 WeakPolarHBondContact CD-OD2 3.39Å; K617-D620 PolarHBondContact O-N 3.5Å; L618-D620 VanDerWaalsContact C-N 3.31Å; L618-D620 PolarHBondContact O-N 2.79Å; D620-S624 VanDerWaalsContact O-CB 3.26Å; D620-S624 WeakPolarHBondContact O-CB 3.46Å; D620-S624 PolarHBondContact O-N 2.92Å
621F98.5Very high97.6Very high0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-72-38.9177.9-173.2-107.5000112.2A458 F459 L462 L571 Y594 I596 L609 L618 D619 S624 L625A458-F621 HydrophobicContact CB-CE2 4.1Å; A458-F621 HydrophobicContact CB-CZ 4.47Å; F459-F621 HydrophobicContact CB-CE2 3.97Å; F459-F621 HydrophobicContact CD2-CE2 4.2Å; L462-F621 HydrophobicContact CD2-CB 4Å; L462-F621 HydrophobicContact CD2-CD2 4.28Å; L571-F621 HydrophobicContact CD2-CE2 4.49Å; L571-F621 HydrophobicContact CD2-CZ 3.97Å; Y594-F621 HydrophobicContact CD1-CB 4.37Å; Y594-F621 AromaticContact CD1-CD1 3.72Å; Y594-F621 HydrophobicContact CD1-CD1 3.72Å; Y594-F621 HydrophobicContact CD1-CE1 4.17Å; Y594-F621 AromaticContact CD1-CG 3.99Å; Y594-F621 HydrophobicContact CD1-CG 3.99Å; Y594-F621 HydrophobicContact CE1-CB 3.56Å; Y594-F621 AromaticContact CE1-CD1 3.78Å; Y594-F621 HydrophobicContact CE1-CD1 3.78Å; Y594-F621 HydrophobicContact CE1-CD2 4.18Å; Y594-F621 AromaticContact CE1-CG 3.56Å; Y594-F621 HydrophobicContact CE1-CG 3.56Å; Y594-F621 HydrophobicContact CE2-CD2 4.24Å; Y594-F621 HydrophobicContact CE2-CE2 4.5Å; Y594-F621 HydrophobicContact CE2-CG 4.42Å; Y594-F621 HydrophobicContact CG-CD1 4.25Å; Y594-F621 HydrophobicContact CG-CE1 4.26Å; Y594-F621 AromaticContact CZ-CD2 3.95Å; Y594-F621 AromaticContact CZ-CG 3.8Å; I596-F621 HydrophobicContact CD1-CE1 3.79Å; I596-F621 HydrophobicContact CD1-CZ 4.05Å; L609-F621 HydrophobicContact CD2-CD1 3.67Å; L609-F621 HydrophobicContact CD2-CE1 3.64Å; L618-F621 PolarHBondContact O-N 2.88Å; L618-F621 VanDerWaalsContact O-N 3.09Å; D619-F621 VanDerWaalsContact C-N 3.29Å; D619-F621 PolarHBondContact O-N 3.12Å; F621-S624 PolarHBondContact O-N 3.48Å; F621-L625 WeakPolarHBondContact O-CB 3.45Å; F621-L625 PolarHBondContact O-N 3.43Å
622V98.3Very high97.6Very high21 Ų2150.1 Ų50.113%0.12726%0.256CS..Hα-helixtrans-61.8-46.2175.3172.90000110.8K428 L430 L609 L618 D619 L625 K626K428-V622 HydrophobicContact CB-CG2 3.76Å; K428-V622 HydrophobicContact CG-CG2 4.31Å; L430-V622 HydrophobicContact CB-CG1 4.42Å; L609-V622 HydrophobicContact CD1-CG2 4.16Å; L609-V622 HydrophobicContact CD2-CG2 4.44Å; L618-V622 HydrophobicContact CG-CG2 4.37Å; L618-V622 WeakPolarHBondContact O-CG2 3.27Å; L618-V622 PolarHBondContact O-N 3.42Å; D619-V622 PolarHBondContact O-N 2.82Å; V622-L625 PolarHBondContact O-N 3.26Å; V622-K626 PolarHBondContact O-N 3.47Å
623E98.4Very high97.6Very high102 Ų10252.5 Ų52.548%0.47727%0.265SS..Hα-helixtrans-65.7-44.3177.6-173.355.2-148.200111.1D619 L625 K626 V627D619-E623 PolarHBondContact O-N 2.86Å; E623-L625 VanDerWaalsContact C-N 3.26Å; E623-L625 PolarHBondContact O-N 2.88Å; E623-K626 PolarHBondContact O-N 3.38Å; E623-V627 WeakPolarHBondContact O-CG2 3.45Å; E623-V627 PolarHBondContact O-N 2.85Å
624S98.5Very high97.6Very high10 Ų1050.8 Ų50.87%0.0726%0.256CS..Hα-helixtrans-58.1-38.8174.5-172.10000112.3A458 D620 F621 S628A458-S624 WeakPolarHBondContact CA-OG 3.36Å; A458-S624 PolarHBondContact O-OG 3.12Å; D620-S624 VanDerWaalsContact O-CB 3.26Å; D620-S624 WeakPolarHBondContact O-CB 3.46Å; D620-S624 PolarHBondContact O-N 2.92Å; F621-S624 PolarHBondContact O-N 3.48Å; S624-S628 VanDerWaalsContact O-CB 3.27Å; S624-S628 WeakPolarHBondContact O-CB 3.43Å; S624-S628 PolarHBondContact O-N 3.31Å; S624-S628 PolarHBondContact O-OG 2.79Å
625L98.7Very high97.7Very high0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-67.7-44.6176.3-179.260000112L430 L451 A454 I455 A458 L609 F621 V622 E623 S628 L629L430-L625 HydrophobicContact CD2-CB 4.3Å; L430-L625 HydrophobicContact CD2-CD2 3.83Å; L430-L625 HydrophobicContact CD2-CG 3.83Å; L451-L625 HydrophobicContact CD1-CD1 4.47Å; A454-L625 HydrophobicContact CB-CD1 4.12Å; I455-L625 HydrophobicContact CG1-CD1 3.96Å; A458-L625 HydrophobicContact CB-CB 3.95Å; A458-L625 HydrophobicContact CB-CD1 4.03Å; L609-L625 HydrophobicContact CD2-CD2 3.86Å; F621-L625 WeakPolarHBondContact O-CB 3.45Å; F621-L625 PolarHBondContact O-N 3.43Å; V622-L625 PolarHBondContact O-N 3.26Å; E623-L625 VanDerWaalsContact C-N 3.26Å; E623-L625 PolarHBondContact O-N 2.88Å; L625-S628 PolarHBondContact O-N 3.09Å; L625-L629 HydrophobicContact CD1-CD1 4.17Å; L625-L629 HydrophobicContact CD1-CG 4.21Å; L625-L629 HydrophobicContact CG-CD1 3.96Å; L625-L629 HydrophobicContact CG-CG 4.46Å; L625-L629 WeakPolarHBondContact O-CB 3.35Å; L625-L629 VanDerWaalsContact O-CG 3.31Å; L625-L629 WeakPolarHBondContact O-CG 3.41Å; L625-L629 PolarHBondContact O-N 3.45Å
626K98.4Very high97.8Very high88 Ų8840.7 Ų40.738%0.38320%0.202SC..Hα-helixtrans-59.6-46.8175.9-174.4-177.4179.6-174.80111.7L430 M432 V622 E623 L629 N630L430-K626 HydrophobicContact CD1-CB 4.15Å; L430-K626 HydrophobicContact CD1-CD 4.42Å; L430-K626 HydrophobicContact CD1-CG 4.27Å; L430-K626 HydrophobicContact CD2-CB 4.41Å; M432-K626 HydrophobicContact SD-CG 4.48Å; V622-K626 PolarHBondContact O-N 3.47Å; E623-K626 PolarHBondContact O-N 3.38Å; K626-L629 PolarHBondContact O-N 2.93Å; K626-N630 PolarHBondContact O-N 3.24Å; K626-N630 VanDerWaalsContact O-N 3.07Å; K626-N630 PolarHBondContact O-ND2 3.21Å
627V98.4Very high97.7Very high45 Ų4543.6 Ų43.627%0.27322%0.217SC..Hα-helixtrans-60-46.5174.8173.30000110.5E623 L629 N630 D631E623-V627 WeakPolarHBondContact O-CG2 3.45Å; E623-V627 PolarHBondContact O-N 2.85Å; V627-L629 PolarHBondContact O-N 2.85Å; V627-N630 PolarHBondContact O-N 2.95Å; V627-D631 PolarHBondContact O-N 3.04Å
628S98.5Very high97.3Very high0 Ų037.3 Ų37.30%019%0.192CC..Hα-helixtrans-62-42.3179.7-59.90000112.4V457 A458 S624 L625 N630 D631 L632V457-S628 WeakPolarHBondContact CG1-OG 3.21Å; A458-S628 VanDerWaalsContact CA-OG 3.31Å; A458-S628 WeakPolarHBondContact CA-OG 3.49Å; A458-S628 PolarHBondContact N-OG 2.92Å; S624-S628 VanDerWaalsContact O-CB 3.27Å; S624-S628 WeakPolarHBondContact O-CB 3.43Å; S624-S628 PolarHBondContact O-N 3.31Å; S624-S628 PolarHBondContact O-OG 2.79Å; L625-S628 PolarHBondContact O-N 3.09Å; S628-N630 VanDerWaalsContact C-N 3.34Å; S628-N630 PolarHBondContact O-N 3.31Å; S628-D631 PolarHBondContact O-N 3.17Å; S628-L632 VanDerWaalsContact O-CD1 3.23Å; S628-L632 WeakPolarHBondContact O-CD1 3.28Å; S628-L632 PolarHBondContact O-N 3.19Å
629L98.6Very high95.8Very high0 Ų043 Ų430%025%0.251CS..Hα-helixtrans-61.5-41.4175.3-75.1165.9000111.8L430 M432 L435 F450 L451 A454 L605 L625 K626 V627 R633L430-L629 HydrophobicContact CD2-CD1 3.81Å; M432-L629 HydrophobicContact CE-CB 4.22Å; M432-L629 HydrophobicContact SD-CB 3.83Å; M432-L629 HydrophobicContact SD-CD1 3.47Å; M432-L629 WeakPolarHBondContact SD-CD1 3.43Å; M432-L629 HydrophobicContact SD-CG 4.27Å; L435-L629 HydrophobicContact CD1-CB 3.83Å; L435-L629 HydrophobicContact CD1-CD2 4.11Å; L435-L629 HydrophobicContact CD1-CG 4.41Å; F450-L629 HydrophobicContact CD1-CD2 4.18Å; F450-L629 HydrophobicContact CE1-CD2 3.65Å; L451-L629 HydrophobicContact CD1-CD1 4.49Å; L451-L629 HydrophobicContact CD1-CD2 4Å; A454-L629 HydrophobicContact CB-CD2 3.45Å; A454-L629 VanDerWaalsContact CB-CD2 3.45Å; A454-L629 HydrophobicContact CB-CG 3.84Å; L605-L629 HydrophobicContact CD1-CD2 4.19Å; L605-L629 HydrophobicContact CD2-CD1 4.13Å; L625-L629 HydrophobicContact CD1-CD1 4.17Å; L625-L629 HydrophobicContact CD1-CG 4.21Å; L625-L629 HydrophobicContact CG-CD1 3.96Å; L625-L629 HydrophobicContact CG-CG 4.46Å; L625-L629 WeakPolarHBondContact O-CB 3.35Å; L625-L629 VanDerWaalsContact O-CG 3.31Å; L625-L629 WeakPolarHBondContact O-CG 3.41Å; L625-L629 PolarHBondContact O-N 3.45Å; K626-L629 PolarHBondContact O-N 2.93Å; V627-L629 PolarHBondContact O-N 2.85Å; L629-R633 WeakPolarHBondContact O-CB 3.33Å; L629-R633 PolarHBondContact O-N 3.01Å
630N98.2Very high95.8Very high60 Ų6040.8 Ų40.832%0.32124%0.24SC..Hα-helixtrans-68.3-38.9176.6-76.6-34.6000113.1M432 K626 V627 S628 R633 S634M432-N630 WeakPolarHBondContact CE-OD1 3.45Å; K626-N630 PolarHBondContact O-N 3.24Å; K626-N630 VanDerWaalsContact O-N 3.07Å; K626-N630 PolarHBondContact O-ND2 3.21Å; V627-N630 PolarHBondContact O-N 2.95Å; S628-N630 VanDerWaalsContact C-N 3.34Å; S628-N630 PolarHBondContact O-N 3.31Å; N630-R633 WeakPolarHBondContact O-CB 3.22Å; N630-R633 PolarHBondContact O-N 2.67Å; N630-S634 PolarHBondContact O-N 3.09Å
631D97.9Very high95.6Very high53 Ų5338.8 Ų38.828%0.28323%0.231SC..Hα-helixtrans-61.6-48.7175.1-73.7-16.8000110.9R461 V627 S628 R633 S634 I635R461-D631 IonicContact CZ-OD2 2.74Å; R461-D631 IonicContact NH1-OD2 3.22Å; R461-D631 IonicContact NH2-OD2 3.39Å; R461-D631 PolarHBondContact NH2-OD2 2.84Å; V627-D631 PolarHBondContact O-N 3.04Å; S628-D631 PolarHBondContact O-N 3.17Å; D631-R633 VanDerWaalsContact C-N 3.31Å; D631-R633 PolarHBondContact O-N 2.63Å; D631-S634 PolarHBondContact O-N 2.95Å; D631-I635 WeakPolarHBondContact O-CD1 3.41Å; D631-I635 WeakPolarHBondContact O-CG1 3.49Å; D631-I635 PolarHBondContact O-N 3.22Å
632L98.3Very high95.5Very high0 Ų041 Ų410%024%0.244CC..Hα-helixtrans-61.2-40.1176.4-9164.1000111.6F450 L453 A454 V457 F496 L500 L516 S628 I635 L636F450-L632 HydrophobicContact CD2-CB 4.43Å; F450-L632 HydrophobicContact CD2-CD2 4.28Å; F450-L632 HydrophobicContact CE2-CB 3.53Å; F450-L632 HydrophobicContact CE2-CD2 4.14Å; F450-L632 HydrophobicContact CE2-CG 4.36Å; F450-L632 HydrophobicContact CZ-CB 3.57Å; F450-L632 HydrophobicContact CZ-CD2 4.36Å; L453-L632 HydrophobicContact CB-CD2 4.2Å; L453-L632 HydrophobicContact CD2-CD2 4.07Å; L453-L632 HydrophobicContact CG-CD2 4.1Å; A454-L632 HydrophobicContact CB-CD2 3.97Å; V457-L632 HydrophobicContact CG2-CD1 4.19Å; F496-L632 HydrophobicContact CE1-CD1 3.89Å; F496-L632 HydrophobicContact CE1-CG 4.38Å; F496-L632 HydrophobicContact CZ-CD1 4.05Å; F496-L632 HydrophobicContact CZ-CG 4.28Å; L500-L632 HydrophobicContact CD2-CD1 3.83Å; L516-L632 HydrophobicContact CD1-CB 4.12Å; L516-L632 HydrophobicContact CD1-CG 3.9Å; S628-L632 VanDerWaalsContact O-CD1 3.23Å; S628-L632 WeakPolarHBondContact O-CD1 3.28Å; S628-L632 PolarHBondContact O-N 3.19Å; L632-I635 PolarHBondContact O-N 3.43Å; L632-L636 WeakPolarHBondContact O-CG 3.17Å; L632-L636 PolarHBondContact O-N 3.27Å
633R97.6Very high95.3Very high70 Ų7042.2 Ų42.226%0.26425%0.251SS..Hα-helixtrans-60.4-47.9174.3-176.5-175.3167.1-171.8-1.4111.5E434 L435 Y439 L629 N630 D631 I635 L636 E637E434-R633 VanDerWaalsContact CB-NH1 3.33Å; E434-R633 VanDerWaalsContact CG-NH1 3.28Å; L435-R633 HydrophobicContact CD2-CB 4.15Å; L435-R633 HydrophobicContact CD2-CG 4.07Å; Y439-R633 HydrophobicContact CE1-CG 4.38Å; L629-R633 WeakPolarHBondContact O-CB 3.33Å; L629-R633 PolarHBondContact O-N 3.01Å; N630-R633 WeakPolarHBondContact O-CB 3.22Å; N630-R633 PolarHBondContact O-N 2.67Å; D631-R633 VanDerWaalsContact C-N 3.31Å; D631-R633 PolarHBondContact O-N 2.63Å; R633-I635 PolarHBondContact O-N 3.22Å; R633-L636 WeakPolarHBondContact O-CB 3.41Å; R633-L636 PolarHBondContact O-N 2.7Å; R633-L636 VanDerWaalsContact O-N 3.07Å; R633-E637 IonicContact CZ-OE1 3.19Å; R633-E637 IonicContact NE-OE1 3.43Å; R633-E637 PolarHBondContact NE-OE1 3.35Å; R633-E637 IonicContact NH2-OE1 3.17Å; R633-E637 PolarHBondContact NH2-OE1 2.75Å; R633-E637 WeakPolarHBondContact O-CG 3.33Å; R633-E637 PolarHBondContact O-N 3.42Å
634S97.3Very high95.1Very high44 Ų4438.4 Ų38.431%0.30824%0.237SC..Hα-helixtrans-60.2-35.5178.5-170.30000112.2K509 N630 D631 E637 S638K509-S634 PolarHBondContact NZ-OG 2.95Å; N630-S634 PolarHBondContact O-N 3.09Å; D631-S634 PolarHBondContact O-N 2.95Å; S634-E637 PolarHBondContact O-N 2.97Å; S634-S638 PolarHBondContact O-N 3.44Å; S634-S638 VanDerWaalsContact O-N 3.11Å
635I97.6Very high94.9Very high6 Ų640.3 Ų40.33%0.03125%0.248CC..Hα-helixtrans-66.8-42.4174.6-67.9161.3000110.9F496 L500 L512 K513 L516 D631 L632 R633 E637 S638F496-I635 HydrophobicContact CZ-CD1 4.17Å; L500-I635 HydrophobicContact CD1-CD1 3.72Å; L512-I635 HydrophobicContact CB-CD1 4.09Å; L512-I635 HydrophobicContact CB-CG1 4.33Å; L512-I635 HydrophobicContact CB-CG2 4.02Å; L512-I635 HydrophobicContact CD1-CD1 4.11Å; L512-I635 HydrophobicContact CD1-CG1 4.44Å; K513-I635 VanDerWaalsContact CA-CG2 3.47Å; K513-I635 HydrophobicContact CB-CG2 3.76Å; K513-I635 HydrophobicContact CG-CG2 4.5Å; L516-I635 HydrophobicContact CD1-CB 4.39Å; L516-I635 HydrophobicContact CD1-CG2 4.11Å; D631-I635 WeakPolarHBondContact O-CD1 3.41Å; D631-I635 WeakPolarHBondContact O-CG1 3.49Å; D631-I635 PolarHBondContact O-N 3.22Å; L632-I635 PolarHBondContact O-N 3.43Å; R633-I635 PolarHBondContact O-N 3.22Å; I635-E637 VanDerWaalsContact C-N 3.29Å; I635-E637 PolarHBondContact O-N 3.31Å; I635-S638 PolarHBondContact O-N 2.91Å; I635-S638 PolarHBondContact O-OG 3.16Å
636L96Very high94.6Very high4 Ų443.2 Ų43.22%0.02127%0.265CS..Hα-helixtrans-66.5-30.2176.4-71.2179.8000113.4L440 K443 V445 F450 L516 L517 L632 R633L440-L636 HydrophobicContact CD2-CD1 4.27Å; K443-L636 HydrophobicContact CB-CD1 4.15Å; K443-L636 HydrophobicContact CB-CD2 4.42Å; K443-L636 HydrophobicContact CG-CB 4.43Å; K443-L636 HydrophobicContact CG-CD1 4.46Å; V445-L636 HydrophobicContact CG1-CD1 3.92Å; F450-L636 HydrophobicContact CD2-CD1 3.84Å; F450-L636 HydrophobicContact CE2-CD1 3.45Å; F450-L636 VanDerWaalsContact CE2-CD1 3.45Å; F450-L636 HydrophobicContact CE2-CG 4.3Å; F450-L636 HydrophobicContact CZ-CD1 4.45Å; L516-L636 HydrophobicContact CD1-CD2 4.18Å; L516-L636 HydrophobicContact CD1-CG 4.16Å; L516-L636 HydrophobicContact CD2-CD2 3.82Å; L516-L636 HydrophobicContact CD2-CG 4.44Å; L517-L636 HydrophobicContact CD2-CD2 4.48Å; L632-L636 WeakPolarHBondContact O-CG 3.17Å; L632-L636 PolarHBondContact O-N 3.27Å; R633-L636 WeakPolarHBondContact O-CB 3.41Å; R633-L636 PolarHBondContact O-N 2.7Å; R633-L636 VanDerWaalsContact O-N 3.07Å
637E94.4Very high94.3Very high93 Ų9339.8 Ų39.844%0.43526%0.256SS..Hα-helixtrans-81.7-16.4177.7-69.6173.117200113.1Y439 R633 S634 I635Y439-E637 WeakPolarHBondContact OH-CG 3.17Å; Y439-E637 PolarHBondContact OH-OE1 3.38Å; R633-E637 IonicContact CZ-OE1 3.19Å; R633-E637 IonicContact NE-OE1 3.43Å; R633-E637 PolarHBondContact NE-OE1 3.35Å; R633-E637 IonicContact NH2-OE1 3.17Å; R633-E637 PolarHBondContact NH2-OE1 2.75Å; R633-E637 WeakPolarHBondContact O-CG 3.33Å; R633-E637 PolarHBondContact O-N 3.42Å; S634-E637 PolarHBondContact O-N 2.97Å; I635-E637 VanDerWaalsContact C-N 3.29Å; I635-E637 PolarHBondContact O-N 3.31Å
638S87.4Confident94Very high20 Ų2039.3 Ų39.314%0.1426%0.255CS..  trans-63.4137.3173.271.80000111.3K513 S634 I635K513-S638 PolarHBondContact NZ-O 3.33Å; S634-S638 PolarHBondContact O-N 3.44Å; S634-S638 VanDerWaalsContact O-N 3.11Å; I635-S638 PolarHBondContact O-N 2.91Å; I635-S638 PolarHBondContact O-OG 3.16Å
639G66.3Low93.6Very high122 Ų12242.9 Ų42.9100%1.25828%0.278SS*.  trans-50.30-178.400000113.2K513K513-G639 PolarHBondContact NZ-OXT 3.47Å

Retrieved 639 of 639 residues in 1918.5 ms (Link to these results)

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