A0A096NDY4_PAPAN Loading...

Large ribosomal subunit protein bL17m

AlphaFold DB , UniProt , Accession A0A096NDY4, Species PAPAN (Papio anubis, Olive baboon), Gene MRPL17, Length 175 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
1M47.1Very low63.9Low221 Ų221122.4 Ų122.4100%1.08967%0.672SS**  01150-78.7179.9169.600108.7L3M1-L3 PolarHBondContact O-N 3.24Å
2R44.6Very low66.1Low256 Ų256118.9 Ų118.997%0.96669%0.686SS**  trans-76.2111.7174.8-67.9-176.9178.6-179.5-0.4108.2S4R2-S4 PolarHBondContact O-N 3.12Å
3L52.9Low68Low147 Ų147119.8 Ų119.877%0.7767%0.671SS**  trans-72.5105.6170.6-69168.1000107.3M1M1-L3 PolarHBondContact O-N 3.24Å
4S58.4Low69.8Low72 Ų72119.8 Ų119.850%0.50368%0.675SS.*  trans-72.1146.8171.957.30000110R2 A6 A7R2-S4 PolarHBondContact O-N 3.12Å; S4-A6 PolarHBondContact O-N 3.21Å; S4-A6 VanDerWaalsContact O-N 3.17Å; S4-A7 WeakPolarHBondContact O-CA 3.26Å; S4-A7 WeakPolarHBondContact O-CB 3.45Å; S4-A7 PolarHBondContact O-N 2.94Å
5V58.3Low71.4Confident120 Ų120122.3 Ų122.373%0.72767%0.671SS**Hα-helixtrans-55.5-33.4177.5176.30000111.7A7 A8V5-A7 PolarHBondContact O-N 3.21Å; V5-A8 WeakPolarHBondContact O-CB 3.39Å; V5-A8 PolarHBondContact O-N 3.21Å
6A58.1Low72.8Confident68 Ų68121.1 Ų121.156%0.56265%0.653SS**Hα-helixtrans-61.7-25.3173.100000113.7S4 A8 R13S4-A6 PolarHBondContact O-N 3.21Å; S4-A6 VanDerWaalsContact O-N 3.17Å; A6-A8 VanDerWaalsContact C-N 3.31Å; A6-R13 PolarHBondContact O-NH2 3.13Å
7A60.1Low74.1Confident29 Ų29125.4 Ų125.424%0.2466%0.658CS.*Hα-helixtrans-72.3-24.6174.800000112.7S4 V5 R13S4-A7 WeakPolarHBondContact O-CA 3.26Å; S4-A7 WeakPolarHBondContact O-CB 3.45Å; S4-A7 PolarHBondContact O-N 2.94Å; V5-A7 PolarHBondContact O-N 3.21Å; A7-R13 PolarHBondContact O-NH1 2.8Å
8A64.7Low75.2Confident81 Ų81120.1 Ų120.167%0.66963%0.63SS**Hα-helixtrans-82.1-28.2-176.400000113.8V5 A6 S10V5-A8 WeakPolarHBondContact O-CB 3.39Å; V5-A8 PolarHBondContact O-N 3.21Å; A6-A8 VanDerWaalsContact C-N 3.31Å; A8-S10 PolarHBondContact O-N 3.42Å
9I83.6Confident76.2Confident100 Ų100116.7 Ų116.751%0.51363%0.628SS.*  trans-80.6118.1178.2-55.8172.5000109.4R13I9-R13 PolarHBondContact O-NE 3.35Å; I9-R13 PolarHBondContact O-NH2 3.06Å; I9-R13 VanDerWaalsContact O-NH2 3.16Å
10S85.5Confident77.1Confident80 Ų80119 Ų11956%0.55964%0.638SS**  trans-114.915.2-172.164.80000115.2A8 G12 R13A8-S10 PolarHBondContact O-N 3.42Å; S10-G12 PolarHBondContact O-N 3.16Å; S10-R13 PolarHBondContact O-N 3.13Å
11H89.8Confident78Confident172 Ų172114.7 Ų114.780%0.79662%0.622SS**THydrogen-bonded Turntrans-62.3129177.3-60.4-63.5000111R13H11-R13 VanDerWaalsContact C-N 3.31Å; H11-R13 PolarHBondContact O-N 3.48Å
12G90.8Very high80.3Confident81 Ų81109.6 Ų109.684%0.83561%0.606SS**THydrogen-bonded Turntrans74.17.5176.700000116.4S10 V14S10-G12 PolarHBondContact O-N 3.16Å; G12-V14 PolarHBondContact O-N 3Å
13R89.9Confident82.7Confident131 Ų131104.2 Ų104.249%0.49459%0.591SS.*  trans-79.9120.3-179.9-67.8-168.7176.7164.33.5111.9A6 A7 I9 S10 H11A6-R13 PolarHBondContact O-NH2 3.13Å; A7-R13 PolarHBondContact O-NH1 2.8Å; I9-R13 PolarHBondContact O-NE 3.35Å; I9-R13 PolarHBondContact O-NH2 3.06Å; I9-R13 VanDerWaalsContact O-NH2 3.16Å; S10-R13 PolarHBondContact O-N 3.13Å; H11-R13 VanDerWaalsContact C-N 3.31Å; H11-R13 PolarHBondContact O-N 3.48Å
14V93.1Very high84.9Confident119 Ų11999.1 Ų99.172%0.72157%0.568SS**  trans-90.4-29.9-178.9-66.90000114.3G12G12-V14 PolarHBondContact O-N 3Å
15Y94.4Very high86.7Confident158 Ų15896.6 Ų96.662%0.6255%0.548SS*.SBendtrans-94.5138.2-176.6-57-57000112
16R94Very high88.6Confident102 Ų10293 Ų9339%0.38552%0.524SS..  trans-81.9154.2175.3-52.3176.9-177.3-94.71.4109.5L18 R25 D50 E51R16-L18 HydrophobicContact CB-CD2 4.47Å; R16-L18 HydrophobicContact CB-CG 4.36Å; R16-R25 WeakPolarHBondContact O-CD 3.29Å; R16-R25 PolarHBondContact O-NE 2.8Å; R16-D50 IonicContact CZ-OD2 3.55Å; R16-D50 IonicContact NE-OD2 2.89Å; R16-D50 IonicContact NH2-OD2 3.14Å; R16-D50 PolarHBondContact NH2-OD2 2.98Å; R16-E51 WeakPolarHBondContact CB-OE1 3.04Å; R16-E51 PolarHBondContact N-OE1 2.82Å
17R93.8Very high90.6Very high195 Ų19593 Ų9374%0.73651%0.512SS*.  trans-93.7103.4172.9-64.5175.867.3179.40.4108.1
18L94.3Very high92.4Very high29 Ų2993 Ų9315%0.15251%0.508CS..  trans-116.9152.7177.5-58.3-177000110.5R16 R25 L28 R48 E51R16-L18 HydrophobicContact CB-CD2 4.47Å; R16-L18 HydrophobicContact CB-CG 4.36Å; L18-R25 HydrophobicContact CB-CB 4.48Å; L18-R25 HydrophobicContact CB-CG 4.18Å; L18-R25 WeakPolarHBondContact O-CB 3.33Å; L18-L28 HydrophobicContact CD1-CD2 4.44Å; L18-R48 HydrophobicContact CD1-CG 3.96Å; L18-E51 WeakPolarHBondContact CD1-OE2 3.48Å; L18-E51 WeakPolarHBondContact CG-OE2 3.4Å
19G94.4Very high94Very high57 Ų5789.2 Ų89.259%0.58848%0.476SS*.THydrogen-bonded Turntrans69-155.6177.200000113.3
20L94.9Very high94.7Very high161 Ų16186.8 Ų86.884%0.84346%0.461SS*.THydrogen-bonded Turntrans-86.7-11.7-175.4-60.7173.8000113.4S24L20-S24 PolarHBondContact N-OG 3.03Å
21G95Very high95.3Very high29 Ų2987.5 Ų87.530%0.29946%0.459SS..SBendtrans172.2-178.4-175.600000112.5E23 S24 R25G21-E23 PolarHBondContact O-N 3.21Å; G21-S24 PolarHBondContact O-N 3.19Å; G21-R25 PolarHBondContact O-N 3.5Å
22P95.1Very high95.7Very high114 Ų11481 Ų8174%0.7443%0.429SS*.Hα-helixtrans-59.3-41.9-177.4-24.734.9000113.8R25 I26P22-R25 WeakPolarHBondContact O-CB 3.48Å; P22-R25 PolarHBondContact O-N 3.41Å; P22-I26 WeakPolarHBondContact O-CG1 3.37Å; P22-I26 PolarHBondContact O-N 3.36Å; P22-I26 VanDerWaalsContact O-N 3.13Å
23E96.7Very high96.1Very high143 Ų14377.1 Ų77.167%0.66839%0.389SS*.Hα-helixtrans-66.5-49.2178.1-177.8176-163.300111.4G21 R25 I26 H27G21-E23 PolarHBondContact O-N 3.21Å; E23-R25 PolarHBondContact O-N 3.4Å; E23-I26 PolarHBondContact O-N 3.27Å; E23-H27 WeakPolarHBondContact CG-NE2 3.39Å; E23-H27 PolarHBondContact O-CD2 3.45Å; E23-H27 PolarHBondContact O-N 3.47Å; E23-H27 IonicContact OE1-NE2 3.83Å
24S97.9Very high96.5Very high41 Ų4171 Ų7129%0.28737%0.367SS..Hα-helixtrans-55.3-39.3174.4175.60000112.2L20 G21 H27 L28L20-S24 PolarHBondContact N-OG 3.03Å; G21-S24 PolarHBondContact O-N 3.19Å; S24-H27 PolarHBondContact O-N 3.33Å; S24-L28 WeakPolarHBondContact O-CB 3.41Å; S24-L28 PolarHBondContact O-N 2.96Å
25R97.6Very high96.8Very high19 Ų1966.2 Ų66.27%0.07234%0.341CS..Hα-helixtrans-60.3-48.4173.5175.3179.1167.9-76.40.7111.7R16 L18 G21 P22 E23 L28 L29 E51 Y55R16-R25 WeakPolarHBondContact O-CD 3.29Å; R16-R25 PolarHBondContact O-NE 2.8Å; L18-R25 HydrophobicContact CB-CB 4.48Å; L18-R25 HydrophobicContact CB-CG 4.18Å; L18-R25 WeakPolarHBondContact O-CB 3.33Å; G21-R25 PolarHBondContact O-N 3.5Å; P22-R25 WeakPolarHBondContact O-CB 3.48Å; P22-R25 PolarHBondContact O-N 3.41Å; E23-R25 PolarHBondContact O-N 3.4Å; R25-L28 PolarHBondContact O-N 3.17Å; R25-L29 HydrophobicContact CG-CD1 4.11Å; R25-L29 WeakPolarHBondContact O-CG 3.36Å; R25-L29 PolarHBondContact O-N 3.25Å; R25-E51 IonicContact CZ-OE1 3.77Å; R25-E51 VanDerWaalsContact NE-CD 3.35Å; R25-E51 IonicContact NE-OE1 3.87Å; R25-E51 PolarHBondContact NE-OE1 3.49Å; R25-E51 IonicContact NE-OE2 2.62Å; R25-E51 IonicContact NH2-OE1 2.95Å; R25-E51 PolarHBondContact NH2-OE1 3.3Å; R25-Y55 PolarHBondContact NH2-OH 3.47Å
26I98.1Very high97Very high45 Ų4558.7 Ų58.723%0.23131%0.312CS..Hα-helixtrans-62.5-44.4-179.7-67-64.3000110.9P22 E23 L28 L29 R30 F78 W79P22-I26 WeakPolarHBondContact O-CG1 3.37Å; P22-I26 PolarHBondContact O-N 3.36Å; P22-I26 VanDerWaalsContact O-N 3.13Å; E23-I26 PolarHBondContact O-N 3.27Å; I26-L28 VanDerWaalsContact C-N 3.33Å; I26-L28 PolarHBondContact O-N 3.41Å; I26-L29 PolarHBondContact O-N 3.04Å; I26-R30 VanDerWaalsContact O-CB 3.27Å; I26-R30 WeakPolarHBondContact O-CB 3.44Å; I26-R30 PolarHBondContact O-N 3.46Å; I26-F78 HydrophobicContact CG2-CE1 4.19Å; I26-F78 HydrophobicContact CG2-CZ 3.99Å; I26-W79 HydrophobicContact CD1-CH2 4.4Å; I26-W79 HydrophobicContact CG2-CH2 4.49Å
27H98.3Very high97.2Very high66 Ų6653.8 Ų53.831%0.30629%0.293SS..Hα-helixtrans-61.1-40.9176-68.8-60.3000112.8E23 S24 R30 N31E23-H27 WeakPolarHBondContact CG-NE2 3.39Å; E23-H27 PolarHBondContact O-CD2 3.45Å; E23-H27 PolarHBondContact O-N 3.47Å; E23-H27 IonicContact OE1-NE2 3.83Å; S24-H27 PolarHBondContact O-N 3.33Å; H27-R30 PolarHBondContact CE1-NH2 3.02Å; H27-R30 PolarHBondContact ND1-NH2 3.25Å; H27-R30 WeakPolarHBondContact O-CB 3.41Å; H27-R30 PolarHBondContact O-N 2.99Å; H27-N31 PolarHBondContact O-N 2.92Å; H27-N31 PolarHBondContact O-OD1 3.38Å
28L98.3Very high97.4Very high30 Ų3048.9 Ų48.916%0.15728%0.275CS..Hα-helixtrans-60.6-47.5176.1-179.2154.2000111.5L18 S24 R25 I26 R30 N31 L32 R48L18-L28 HydrophobicContact CD1-CD2 4.44Å; S24-L28 WeakPolarHBondContact O-CB 3.41Å; S24-L28 PolarHBondContact O-N 2.96Å; R25-L28 PolarHBondContact O-N 3.17Å; I26-L28 VanDerWaalsContact C-N 3.33Å; I26-L28 PolarHBondContact O-N 3.41Å; L28-R30 VanDerWaalsContact C-N 3.32Å; L28-R30 PolarHBondContact O-N 2.99Å; L28-N31 PolarHBondContact O-N 3.15Å; L28-L32 HydrophobicContact CD2-CD1 3.8Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 3.45Å; L28-L32 VanDerWaalsContact O-N 3.17Å; L28-R48 HydrophobicContact CD2-CB 4.44Å; L28-R48 HydrophobicContact CD2-CG 4.09Å
29L98.4Very high97.6Very high1 Ų153 Ų531%0.00529%0.293CS..Hα-helixtrans-65.1-38.6178.4-65.2174.2000111.4R25 I26 L32 L33 E51 M52 Y55R25-L29 HydrophobicContact CG-CD1 4.11Å; R25-L29 WeakPolarHBondContact O-CG 3.36Å; R25-L29 PolarHBondContact O-N 3.25Å; I26-L29 PolarHBondContact O-N 3.04Å; L29-L32 PolarHBondContact O-N 3.12Å; L29-L33 VanDerWaalsContact O-CB 3.3Å; L29-L33 WeakPolarHBondContact O-CB 3.36Å; L29-L33 PolarHBondContact O-N 3.06Å; L29-E51 HydrophobicContact CD1-CG 4.11Å; L29-E51 HydrophobicContact CD2-CB 4.22Å; L29-E51 HydrophobicContact CD2-CG 4.14Å; L29-M52 HydrophobicContact CD2-CB 3.88Å; L29-Y55 HydrophobicContact CD1-CD2 4.3Å; L29-Y55 HydrophobicContact CD1-CE2 3.85Å
30R98.3Very high97.8Very high50 Ų5051.1 Ų51.119%0.18927%0.269CS..Hα-helixtrans-61.2-44.2177-169.4175.660-1738.5112.3I26 H27 L28 L33 T34 F78 W79 T81I26-R30 VanDerWaalsContact O-CB 3.27Å; I26-R30 WeakPolarHBondContact O-CB 3.44Å; I26-R30 PolarHBondContact O-N 3.46Å; H27-R30 PolarHBondContact CE1-NH2 3.02Å; H27-R30 PolarHBondContact ND1-NH2 3.25Å; H27-R30 WeakPolarHBondContact O-CB 3.41Å; H27-R30 PolarHBondContact O-N 2.99Å; L28-R30 VanDerWaalsContact C-N 3.32Å; L28-R30 PolarHBondContact O-N 2.99Å; R30-L33 PolarHBondContact O-N 3.42Å; R30-T34 WeakPolarHBondContact O-CB 3.36Å; R30-T34 PolarHBondContact O-N 3.19Å; R30-T34 PolarHBondContact O-OG1 3.21Å; R30-F78 WeakPolarHBondContact CD-O 3.44Å; R30-F78 PolarHBondContact NH1-O 2.9Å; R30-W79 HydrophobicContact CB-CE3 4.24Å; R30-W79 HydrophobicContact CB-CZ3 4.4Å; R30-W79 HydrophobicContact CG-CE3 4.25Å; R30-W79 WeakPolarHBondContact CG-O 3.09Å; R30-T81 HydrophobicContact CG-CG2 4.08Å
31N98.4Very high97.9Very high95 Ų9545.7 Ų45.751%0.50824%0.237SC..Hα-helixtrans-65.1-42.6177.9-66.9-4.1000111.3H27 L28 T34 G35H27-N31 PolarHBondContact O-N 2.92Å; H27-N31 PolarHBondContact O-OD1 3.38Å; L28-N31 PolarHBondContact O-N 3.15Å; N31-T34 PolarHBondContact O-N 2.93Å; N31-G35 PolarHBondContact O-N 3.03Å
32L98.5Very high98.1Very high34 Ų3445.5 Ų45.518%0.17823%0.229CC..Hα-helixtrans-64.2-41.2175.9-69.2176.6000112.2L28 L29 G35 L36 I42 A44 R48 M52L28-L32 HydrophobicContact CD2-CD1 3.8Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 3.45Å; L28-L32 VanDerWaalsContact O-N 3.17Å; L29-L32 PolarHBondContact O-N 3.12Å; L32-G35 PolarHBondContact O-N 3.43Å; L32-L36 WeakPolarHBondContact O-CB 3.4Å; L32-L36 PolarHBondContact O-N 2.76Å; L32-I42 HydrophobicContact CB-CD1 4.27Å; L32-I42 HydrophobicContact CD2-CD1 4.17Å; L32-I42 WeakPolarHBondContact O-CD1 3.35Å; L32-A44 HydrophobicContact CD2-CB 4.13Å; L32-R48 HydrophobicContact CD1-CB 3.8Å; L32-M52 HydrophobicContact CB-CE 4Å; L32-M52 HydrophobicContact CB-CG 4.09Å; L32-M52 HydrophobicContact CB-SD 4.42Å
33L98.6Very high98.2Very high0 Ų046.5 Ų46.50%022%0.224CC..Hα-helixtrans-65.6-42.8178.4-176.160.3000111.6L29 R30 L36 V37 M52 A56 L59 W79L29-L33 VanDerWaalsContact O-CB 3.3Å; L29-L33 WeakPolarHBondContact O-CB 3.36Å; L29-L33 PolarHBondContact O-N 3.06Å; R30-L33 PolarHBondContact O-N 3.42Å; L33-L36 PolarHBondContact O-N 2.99Å; L33-V37 WeakPolarHBondContact O-CG2 3.34Å; L33-V37 PolarHBondContact O-N 2.72Å; L33-M52 HydrophobicContact CB-CG 4.29Å; L33-M52 HydrophobicContact CD1-SD 4.42Å; L33-A56 HydrophobicContact CD1-CB 3.62Å; L33-L59 HydrophobicContact CD1-CD2 4.03Å; L33-L59 HydrophobicContact CD2-CB 4.49Å; L33-L59 HydrophobicContact CD2-CD2 3.89Å; L33-L59 HydrophobicContact CG-CD2 3.93Å; L33-W79 HydrophobicContact CD2-CB 4.19Å; L33-W79 HydrophobicContact CD2-CD2 4.14Å; L33-W79 HydrophobicContact CD2-CE3 3.76Å; L33-W79 HydrophobicContact CD2-CG 4.34Å
34T98.6Very high98.3Very high3 Ų340 Ų402%0.01819%0.194CC..Hα-helixtrans-59.9-47.2174-56.70000110.5R30 N31 L36 V37 R38 W79 T81 E82 L85R30-T34 WeakPolarHBondContact O-CB 3.36Å; R30-T34 PolarHBondContact O-N 3.19Å; R30-T34 PolarHBondContact O-OG1 3.21Å; N31-T34 PolarHBondContact O-N 2.93Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 3.41Å; T34-V37 PolarHBondContact O-N 2.93Å; T34-R38 PolarHBondContact O-N 3.48Å; T34-W79 PolarHBondContact OG1-O 3.41Å; T34-T81 WeakPolarHBondContact CG2-OG1 3.49Å; T34-T81 PolarHBondContact OG1-N 3.25Å; T34-T81 PolarHBondContact OG1-OG1 3.48Å; T34-E82 HydrophobicContact CG2-CB 3.99Å; T34-E82 HydrophobicContact CG2-CG 3.82Å; T34-E82 WeakPolarHBondContact CG2-OE2 3.27Å; T34-L85 HydrophobicContact CG2-CD1 3.63Å; T34-L85 WeakPolarHBondContact O-CD1 3.44Å
35G98.5Very high98.3Very high18 Ų1839.3 Ų39.319%0.18619%0.189CC..Hα-helixtrans-60.4-38.8175.400000113.3N31 L32 R38 H39N31-G35 PolarHBondContact O-N 3.03Å; L32-G35 PolarHBondContact O-N 3.43Å; G35-R38 PolarHBondContact O-N 3.46Å; G35-H39 PolarHBondContact O-CD2 3.46Å; G35-H39 PolarHBondContact O-N 2.93Å
36L98.6Very high98.4Very high0 Ų041.8 Ų41.80%020%0.198CC..Hα-helixtrans-65.3-41.1175.4179.661.6000112L32 L33 T34 E40 I42 M52 A56 I123 Y125L32-L36 WeakPolarHBondContact O-CB 3.4Å; L32-L36 PolarHBondContact O-N 2.76Å; L33-L36 PolarHBondContact O-N 2.99Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 3.41Å; L36-E40 WeakPolarHBondContact O-CA 3.49Å; L36-E40 PolarHBondContact O-N 2.94Å; L36-I42 HydrophobicContact CB-CD1 4.2Å; L36-I42 HydrophobicContact CB-CG1 4.29Å; L36-I42 HydrophobicContact CD1-CG1 4.22Å; L36-M52 HydrophobicContact CB-SD 4.48Å; L36-M52 HydrophobicContact CD2-SD 3.82Å; L36-A56 HydrophobicContact CD2-CB 3.93Å; L36-I123 HydrophobicContact CD1-CG2 4.27Å; L36-I123 HydrophobicContact CD2-CD1 4.24Å; L36-I123 HydrophobicContact CD2-CG1 4.33Å; L36-I123 HydrophobicContact CD2-CG2 4.47Å; L36-Y125 HydrophobicContact CD1-CD2 4.38Å; L36-Y125 HydrophobicContact CD2-CE2 4.15Å; L36-Y125 HydrophobicContact CG-CD2 4.1Å; L36-Y125 HydrophobicContact CG-CE2 3.79Å
37V98.5Very high98.3Very high0 Ų041.1 Ų41.10%020%0.2CC..Hα-helixtrans-68.1-38.5176.91730000111.3L33 T34 L59 L80 L85 K88 L93 Y125L33-V37 WeakPolarHBondContact O-CG2 3.34Å; L33-V37 PolarHBondContact O-N 2.72Å; T34-V37 PolarHBondContact O-N 2.93Å; V37-L59 HydrophobicContact CG2-CD2 4.01Å; V37-L80 HydrophobicContact CB-CD2 4.1Å; V37-L80 HydrophobicContact CG1-CD2 4.3Å; V37-L80 HydrophobicContact CG2-CD2 3.99Å; V37-L85 HydrophobicContact CB-CD1 4.29Å; V37-L85 HydrophobicContact CG1-CB 4Å; V37-L85 HydrophobicContact CG1-CD1 4.16Å; V37-L85 HydrophobicContact CG1-CG 4.49Å; V37-K88 PolarHBondContact O-NZ 3.5Å; V37-L93 HydrophobicContact CG1-CD1 4Å; V37-L93 HydrophobicContact CG2-CD1 4.41Å; V37-Y125 HydrophobicContact CG2-CE2 4.1Å
38R98.4Very high98.3Very high91 Ų9143 Ų4334%0.34320%0.204SC..Hα-helixtrans-63.2-57.1176-178.4174.4-75.2-95.6-17.1111.6T34 G35 E82 D84 L85 K88T34-R38 PolarHBondContact O-N 3.48Å; G35-R38 PolarHBondContact O-N 3.46Å; R38-E82 IonicContact CZ-OE1 3.53Å; R38-E82 IonicContact CZ-OE2 3.28Å; R38-E82 VanDerWaalsContact NE-CD 3.35Å; R38-E82 IonicContact NE-OE1 3.09Å; R38-E82 PolarHBondContact NE-OE1 3.27Å; R38-E82 IonicContact NE-OE2 3.69Å; R38-E82 PolarHBondContact NE-OE2 2.81Å; R38-E82 IonicContact NH2-OE1 2.98Å; R38-E82 PolarHBondContact NH2-OE1 3.04Å; R38-E82 IonicContact NH2-OE2 3.47Å; R38-E82 PolarHBondContact NH2-OE2 3.47Å; R38-D84 IonicContact CZ-OD2 3.49Å; R38-D84 IonicContact NH2-OD1 2.82Å; R38-D84 IonicContact NH2-OD2 2.8Å; R38-D84 PolarHBondContact NH2-OD2 3.47Å; R38-L85 HydrophobicContact CB-CD1 4.01Å; R38-L85 HydrophobicContact CB-CD2 4.1Å; R38-L85 HydrophobicContact CG-CD2 4.49Å; R38-K88 PolarHBondContact O-NZ 2.91Å; R38-K88 VanDerWaalsContact O-NZ 3.11Å
39H98.4Very high98.4Very high115 Ų11541.5 Ų41.553%0.53220%0.197SC..Hα-helixtrans-96.9-9.8-168.2-60-66.9000114.7G35 R41G35-H39 PolarHBondContact O-CD2 3.46Å; G35-H39 PolarHBondContact O-N 2.93Å; H39-R41 PolarHBondContact O-N 3.31Å
40E98.2Very high98.3Very high18 Ų1843.9 Ų43.98%0.08421%0.209CC..SBendtrans60.2-7.9-177.2-58.3-173.2-159.700116.1L36 K88 R96 E124 Y125 N128L36-E40 WeakPolarHBondContact O-CA 3.49Å; L36-E40 PolarHBondContact O-N 2.94Å; E40-K88 VanDerWaalsContact OE1-CE 3.26Å; E40-K88 WeakPolarHBondContact OE1-CE 3.33Å; E40-K88 IonicContact OE1-NZ 2.69Å; E40-K88 PolarHBondContact OE1-NZ 3.42Å; E40-R96 IonicContact OE1-NH2 2.65Å; E40-R96 PolarHBondContact OE1-NH2 3.23Å; E40-R96 IonicContact OE2-CZ 3.04Å; E40-R96 IonicContact OE2-NH1 3.48Å; E40-R96 PolarHBondContact OE2-NH1 2.76Å; E40-R96 IonicContact OE2-NH2 3.5Å; E40-R96 PolarHBondContact OE2-NH2 3.46Å; E40-E124 CarbonylContact O-C 3.58Å; E40-E124 WeakPolarHBondContact O-CA 3.12Å; E40-E124 WeakPolarHBondContact O-CB 3.45Å; E40-Y125 PolarHBondContact O-N 3.4Å; E40-N128 HydrophobicContact CB-CB 3.8Å; E40-N128 PolarHBondContact O-ND2 3.36Å; E40-N128 WeakPolarHBondContact OE2-CA 3.26Å; E40-N128 WeakPolarHBondContact OE2-CB 3.47Å
41R98.6Very high98.3Very high47 Ų4742.4 Ų42.418%0.17720%0.204CC..EExtended strand (participates in β ladder)trans-149130.7171.6-177.5-178-65.9162.14.3109.6H39 V122 I123 E124 L130 P131H39-R41 PolarHBondContact O-N 3.31Å; R41-V122 HydrophobicContact CG-CG2 3.59Å; R41-I123 VanDerWaalsContact CA-O 3.3Å; R41-I123 WeakPolarHBondContact CA-O 3.37Å; R41-E124 HydrophobicContact CB-CB 4.02Å; R41-E124 HydrophobicContact CG-CB 4.06Å; R41-E124 IonicContact CZ-OE2 3.38Å; R41-E124 IonicContact NE-OE2 3.55Å; R41-E124 PolarHBondContact NE-OE2 3.45Å; R41-E124 IonicContact NH2-OE2 3.41Å; R41-E124 PolarHBondContact NH2-OE2 3.49Å; R41-L130 HydrophobicContact CB-CD1 3.54Å; R41-L130 HydrophobicContact CG-CD1 4.49Å; R41-P131 PolarHBondContact NH1-O 2.91Å; R41-P131 PolarHBondContact NH2-O 3.36Å
42I98.4Very high98.3Very high25 Ų2537.9 Ų37.913%0.12818%0.18CC..EExtended strand (participates in β ladder)trans-137.2155.217561.7162.2000111.7L32 L36 M52 V122 I123L32-I42 HydrophobicContact CB-CD1 4.27Å; L32-I42 HydrophobicContact CD2-CD1 4.17Å; L32-I42 WeakPolarHBondContact O-CD1 3.35Å; L36-I42 HydrophobicContact CB-CD1 4.2Å; L36-I42 HydrophobicContact CB-CG1 4.29Å; L36-I42 HydrophobicContact CD1-CG1 4.22Å; I42-M52 HydrophobicContact CD1-CE 3.67Å; I42-M52 HydrophobicContact CG1-CE 4.48Å; I42-V122 WeakPolarHBondContact O-CA 3.29Å; I42-I123 HydrophobicContact CD1-CG2 4.23Å; I42-I123 HydrophobicContact CG1-CG2 3.6Å; I42-I123 PolarHBondContact N-O 2.95Å; I42-I123 PolarHBondContact O-N 3.4Å
43E98.1Very high98.3Very high136 Ų13640.3 Ų40.364%0.63619%0.187SC*.EExtended strand (participates in β ladder)trans-113125.1174.3-64.3-179-175.300109.9I110 A121 V122E43-I110 HydrophobicContact CB-CD1 4.29Å; E43-I110 HydrophobicContact CG-CD1 4.08Å; E43-A121 WeakPolarHBondContact CA-O 3.48Å; E43-V122 HydrophobicContact CG-CB 4.26Å; E43-V122 HydrophobicContact CG-CG2 4.2Å
44A98.1Very high98.3Very high5 Ų542.3 Ų42.34%0.04121%0.208CC..EExtended strand (participates in β ladder)trans-151.8167.4-179.600000111.2L32 W46 V49 M120 A121L32-A44 HydrophobicContact CD2-CB 4.13Å; A44-W46 PolarHBondContact O-N 3.14Å; A44-V49 HydrophobicContact CB-CG2 3.51Å; A44-V49 WeakPolarHBondContact O-CG2 3.45Å; A44-M120 VanDerWaalsContact C-CE 3.46Å; A44-A121 PolarHBondContact N-O 3.28Å; A44-A121 PolarHBondContact O-N 2.69Å; A44-A121 VanDerWaalsContact O-O 3.07Å
45P98.1Very high98.3Very high27 Ų2744.5 Ų44.518%0.17522%0.216CC..EExtended strand (participates in β ladder)trans-55.1136.2175.9-27.434.9000111.9A47 R48 V49 K119 M120P45-A47 VanDerWaalsContact C-N 3.26Å; P45-A47 PolarHBondContact O-N 3.31Å; P45-A47 VanDerWaalsContact O-N 3.13Å; P45-R48 HydrophobicContact CB-CG 4.34Å; P45-R48 WeakPolarHBondContact O-CB 3.19Å; P45-R48 PolarHBondContact O-N 2.84Å; P45-V49 PolarHBondContact O-N 3.2Å; P45-K119 CarbonylContact C-O 3.55Å; P45-K119 WeakPolarHBondContact CA-O 3.05Å; P45-M120 HydrophobicContact CB-SD 4.41Å; P45-M120 HydrophobicContact CG-SD 4.06Å
46W98.4Very high98.3Very high71 Ų7143.6 Ų43.627%0.26921%0.207SC..Hα-helixtrans-51.7-43.5-171.9-179.192.5000112.7A44 R48 V49 D50 K119 A121A44-W46 PolarHBondContact O-N 3.14Å; W46-R48 VanDerWaalsContact C-N 3.31Å; W46-R48 PolarHBondContact O-N 3.3Å; W46-V49 PolarHBondContact O-N 3.5Å; W46-D50 VanDerWaalsContact O-CB 3.24Å; W46-D50 WeakPolarHBondContact O-CB 3.44Å; W46-D50 PolarHBondContact O-N 2.97Å; W46-K119 HydrophobicContact CB-CB 4.35Å; W46-K119 HydrophobicContact CB-CD 4.07Å; W46-K119 HydrophobicContact CB-CG 3.89Å; W46-K119 HydrophobicContact CD2-CD 4.44Å; W46-K119 HydrophobicContact CG-CD 4.11Å; W46-K119 HydrophobicContact CG-CG 4.36Å; W46-K119 PolarHBondContact N-O 3.34Å; W46-A121 HydrophobicContact CB-CB 4.25Å; W46-A121 HydrophobicContact CG-CB 4.44Å
47A97.7Very high98.2Very high32 Ų3245 Ų4526%0.26421%0.214SC..Hα-helixtrans-63.5-34.2179.400000113.6P45 E51P45-A47 VanDerWaalsContact C-N 3.26Å; P45-A47 PolarHBondContact O-N 3.31Å; P45-A47 VanDerWaalsContact O-N 3.13Å; A47-E51 WeakPolarHBondContact O-CB 3.42Å; A47-E51 PolarHBondContact O-N 2.95Å
48R98.3Very high98.2Very high104 Ų10451.7 Ų51.739%0.39224%0.243SC..Hα-helixtrans-76.1-40.2178.1-64.6177.6178.7-174.73.4111L18 L28 L32 P45 W46 M52L18-R48 HydrophobicContact CD1-CG 3.96Å; L28-R48 HydrophobicContact CD2-CB 4.44Å; L28-R48 HydrophobicContact CD2-CG 4.09Å; L32-R48 HydrophobicContact CD1-CB 3.8Å; P45-R48 HydrophobicContact CB-CG 4.34Å; P45-R48 WeakPolarHBondContact O-CB 3.19Å; P45-R48 PolarHBondContact O-N 2.84Å; W46-R48 VanDerWaalsContact C-N 3.31Å; W46-R48 PolarHBondContact O-N 3.3Å; R48-M52 VanDerWaalsContact O-CB 3.23Å; R48-M52 WeakPolarHBondContact O-CB 3.28Å; R48-M52 PolarHBondContact O-N 3.43Å
49V98.4Very high98.2Very high0 Ų047.6 Ų47.60%023%0.228CC..Hα-helixtrans-65.3-49.5178.41760000110.9A44 P45 W46 E51 M52 R53 M107 A121 I123A44-V49 HydrophobicContact CB-CG2 3.51Å; A44-V49 WeakPolarHBondContact O-CG2 3.45Å; P45-V49 PolarHBondContact O-N 3.2Å; W46-V49 PolarHBondContact O-N 3.5Å; V49-E51 VanDerWaalsContact C-N 3.28Å; V49-E51 PolarHBondContact O-N 2.99Å; V49-M52 PolarHBondContact O-N 2.99Å; V49-R53 WeakPolarHBondContact O-CB 3.4Å; V49-R53 PolarHBondContact O-N 3.22Å; V49-M107 HydrophobicContact CB-SD 4.45Å; V49-M107 HydrophobicContact CG1-CG 3.9Å; V49-M107 HydrophobicContact CG1-SD 3.71Å; V49-A121 HydrophobicContact CB-CB 4.09Å; V49-A121 HydrophobicContact CG1-CB 4.11Å; V49-A121 HydrophobicContact CG2-CB 4.16Å; V49-I123 HydrophobicContact CG1-CB 3.55Å; V49-I123 HydrophobicContact CG1-CD1 4.1Å; V49-I123 HydrophobicContact CG1-CG1 4.39Å; V49-I123 HydrophobicContact CG1-CG2 3.64Å; V49-I123 HydrophobicContact CG2-CG2 4.47Å
50D98.2Very high98.2Very high51 Ų5142.1 Ų42.127%0.27320%0.202SC..Hα-helixtrans-56.7-43177.7-178.254.3000111.6R16 W46 R53 M107R16-D50 IonicContact CZ-OD2 3.55Å; R16-D50 IonicContact NE-OD2 2.89Å; R16-D50 IonicContact NH2-OD2 3.14Å; R16-D50 PolarHBondContact NH2-OD2 2.98Å; W46-D50 VanDerWaalsContact O-CB 3.24Å; W46-D50 WeakPolarHBondContact O-CB 3.44Å; W46-D50 PolarHBondContact O-N 2.97Å; D50-R53 WeakPolarHBondContact O-CB 3.4Å; D50-M107 HydrophobicContact CB-SD 4.35Å
51E97.9Very high98.2Very high18 Ų1844.5 Ų44.58%0.08422%0.215CC..Hα-helixtrans-71.5-40.8178.8-169.8159.1-140.600113.1R16 L18 R25 L29 A47 V49 R53 Y55R16-E51 WeakPolarHBondContact CB-OE1 3.04Å; R16-E51 PolarHBondContact N-OE1 2.82Å; L18-E51 WeakPolarHBondContact CD1-OE2 3.48Å; L18-E51 WeakPolarHBondContact CG-OE2 3.4Å; R25-E51 IonicContact CZ-OE1 3.77Å; R25-E51 VanDerWaalsContact NE-CD 3.35Å; R25-E51 IonicContact NE-OE1 3.87Å; R25-E51 PolarHBondContact NE-OE1 3.49Å; R25-E51 IonicContact NE-OE2 2.62Å; R25-E51 IonicContact NH2-OE1 2.95Å; R25-E51 PolarHBondContact NH2-OE1 3.3Å; L29-E51 HydrophobicContact CD1-CG 4.11Å; L29-E51 HydrophobicContact CD2-CB 4.22Å; L29-E51 HydrophobicContact CD2-CG 4.14Å; A47-E51 WeakPolarHBondContact O-CB 3.42Å; A47-E51 PolarHBondContact O-N 2.95Å; V49-E51 VanDerWaalsContact C-N 3.28Å; V49-E51 PolarHBondContact O-N 2.99Å; E51-R53 VanDerWaalsContact C-N 3.32Å; E51-Y55 WeakPolarHBondContact O-CD2 3.46Å; E51-Y55 WeakPolarHBondContact O-CE2 3.29Å
52M98.3Very high98.1Very high0 Ų044.5 Ų44.50%022%0.216CC..Hα-helixtrans-68.7-30.2177.4-179.9-107.6-48.300112.4L29 L32 L33 L36 I42 R48 V49 G54 Y55 A56 I123L29-M52 HydrophobicContact CD2-CB 3.88Å; L32-M52 HydrophobicContact CB-CE 4Å; L32-M52 HydrophobicContact CB-CG 4.09Å; L32-M52 HydrophobicContact CB-SD 4.42Å; L33-M52 HydrophobicContact CB-CG 4.29Å; L33-M52 HydrophobicContact CD1-SD 4.42Å; L36-M52 HydrophobicContact CB-SD 4.48Å; L36-M52 HydrophobicContact CD2-SD 3.82Å; I42-M52 HydrophobicContact CD1-CE 3.67Å; I42-M52 HydrophobicContact CG1-CE 4.48Å; R48-M52 VanDerWaalsContact O-CB 3.23Å; R48-M52 WeakPolarHBondContact O-CB 3.28Å; R48-M52 PolarHBondContact O-N 3.43Å; V49-M52 PolarHBondContact O-N 2.99Å; M52-G54 VanDerWaalsContact C-N 3.31Å; M52-G54 PolarHBondContact O-N 2.85Å; M52-Y55 WeakPolarHBondContact O-CA 3.04Å; M52-Y55 WeakPolarHBondContact O-CB 3.34Å; M52-Y55 PolarHBondContact O-N 3.12Å; M52-A56 PolarHBondContact O-N 3.49Å; M52-A56 HydrophobicContact SD-CB 4.47Å; M52-I123 HydrophobicContact CE-CD1 4.47Å; M52-I123 HydrophobicContact CE-CG2 3.8Å
53R98.3Very high98.1Very high85 Ų8543.4 Ų43.432%0.32121%0.211SC..Hα-helixtrans-51.1-46.9-179.6-171.8-178.9-174.5-166.8-0.7112.8V49 D50 E51 Y55 A56 E57 T105 I123V49-R53 WeakPolarHBondContact O-CB 3.4Å; V49-R53 PolarHBondContact O-N 3.22Å; D50-R53 WeakPolarHBondContact O-CB 3.4Å; E51-R53 VanDerWaalsContact C-N 3.32Å; R53-Y55 VanDerWaalsContact C-N 3.27Å; R53-Y55 PolarHBondContact O-N 3.28Å; R53-A56 WeakPolarHBondContact O-CB 3.09Å; R53-A56 PolarHBondContact O-N 3.46Å; R53-E57 WeakPolarHBondContact O-CG 3.21Å; R53-E57 PolarHBondContact O-N 3.42Å; R53-T105 WeakPolarHBondContact CG-OG1 3.45Å; R53-T105 PolarHBondContact NE-OG1 2.9Å; R53-T105 PolarHBondContact NH2-O 3.35Å; R53-I123 HydrophobicContact CB-CD1 3.99Å; R53-I123 HydrophobicContact CG-CD1 3.99Å
54G97.8Very high98Very high42 Ų4240.1 Ų40.143%0.43320%0.195SC..Hα-helixtrans-62.8-33.3179.100000113.4M52 K58M52-G54 VanDerWaalsContact C-N 3.31Å; M52-G54 PolarHBondContact O-N 2.85Å; G54-K58 PolarHBondContact O-N 2.82Å
55Y98.3Very high97.9Very high49 Ų4944.6 Ų44.619%0.19222%0.217CC..Hα-helixtrans-74.5-37.6175-62.7-91.9000111.4R25 L29 E51 M52 R53 E57 K58 L59 W79R25-Y55 PolarHBondContact NH2-OH 3.47Å; L29-Y55 HydrophobicContact CD1-CD2 4.3Å; L29-Y55 HydrophobicContact CD1-CE2 3.85Å; E51-Y55 WeakPolarHBondContact O-CD2 3.46Å; E51-Y55 WeakPolarHBondContact O-CE2 3.29Å; M52-Y55 WeakPolarHBondContact O-CA 3.04Å; M52-Y55 WeakPolarHBondContact O-CB 3.34Å; M52-Y55 PolarHBondContact O-N 3.12Å; R53-Y55 VanDerWaalsContact C-N 3.27Å; R53-Y55 PolarHBondContact O-N 3.28Å; Y55-E57 VanDerWaalsContact C-N 3.34Å; Y55-E57 PolarHBondContact O-N 3.49Å; Y55-K58 PolarHBondContact O-N 2.98Å; Y55-L59 WeakPolarHBondContact O-CB 3.41Å; Y55-L59 PolarHBondContact O-N 2.79Å; Y55-W79 AromaticContact CD1-CH2 3.29Å; Y55-W79 HydrophobicContact CD1-CH2 3.29Å; Y55-W79 AromaticContact CD1-CZ2 3.48Å; Y55-W79 HydrophobicContact CD1-CZ2 3.48Å; Y55-W79 VanDerWaalsContact CD1-CZ2 3.48Å; Y55-W79 HydrophobicContact CD1-CZ3 4.09Å; Y55-W79 AromaticContact CE1-CH2 3.55Å; Y55-W79 HydrophobicContact CE1-CH2 3.55Å; Y55-W79 AromaticContact CE1-CZ2 3.8Å; Y55-W79 HydrophobicContact CE1-CZ2 3.8Å; Y55-W79 HydrophobicContact CG-CH2 4.08Å; Y55-W79 HydrophobicContact CG-CZ3 4.49Å
56A98.5Very high97.6Very high0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-62.3-40.1175.500000112.4L33 L36 M52 R53 I60 T105L33-A56 HydrophobicContact CD1-CB 3.62Å; L36-A56 HydrophobicContact CD2-CB 3.93Å; M52-A56 PolarHBondContact O-N 3.49Å; M52-A56 HydrophobicContact SD-CB 4.47Å; R53-A56 WeakPolarHBondContact O-CB 3.09Å; R53-A56 PolarHBondContact O-N 3.46Å; A56-I60 WeakPolarHBondContact O-CG1 3.46Å; A56-I60 PolarHBondContact O-N 3.01Å; A56-T105 HydrophobicContact CB-CG2 4Å
57E98.2Very high97.3Very high30 Ų3045.3 Ų45.314%0.1423%0.23CC..Hα-helixtrans-62.9-50.6175-63.5-73143.400111.1R53 Y55 L59 I60 D61 G103 Y104 T105R53-E57 WeakPolarHBondContact O-CG 3.21Å; R53-E57 PolarHBondContact O-N 3.42Å; Y55-E57 VanDerWaalsContact C-N 3.34Å; Y55-E57 PolarHBondContact O-N 3.49Å; E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 2.83Å; E57-I60 WeakPolarHBondContact O-CB 3.36Å; E57-I60 PolarHBondContact O-N 3.42Å; E57-I60 VanDerWaalsContact O-N 3.17Å; E57-D61 PolarHBondContact O-N 3.3Å; E57-D61 VanDerWaalsContact O-N 3.17Å; E57-G103 WeakPolarHBondContact OE2-CA 3.11Å; E57-G103 PolarHBondContact OE2-N 2.65Å; E57-Y104 HydrophobicContact CB-CD2 4.34Å; E57-Y104 PolarHBondContact OE1-N 3.24Å; E57-Y104 VanDerWaalsContact OE1-N 3.17Å; E57-Y104 WeakPolarHBondContact OE2-CD2 3.3Å; E57-Y104 PolarHBondContact OE2-N 2.88Å; E57-T105 VanDerWaalsContact OE1-CB 3.28Å; E57-T105 WeakPolarHBondContact OE1-CB 3.44Å; E57-T105 WeakPolarHBondContact OE1-CG2 3.28Å; E57-T105 PolarHBondContact OE1-N 3.31Å; E57-T105 PolarHBondContact OE1-OG1 3.27Å
58K98.1Very high97.2Very high140 Ų14049.9 Ų49.961%0.60926%0.255SS*.Hα-helixtrans-65.3-31.8179.8-71.1-171.7178.3-173.80113.5G54 Y55 I60 D61 Y62G54-K58 PolarHBondContact O-N 2.82Å; Y55-K58 PolarHBondContact O-N 2.98Å; K58-I60 VanDerWaalsContact C-N 3.28Å; K58-I60 PolarHBondContact O-N 3.16Å; K58-D61 WeakPolarHBondContact O-CB 3.43Å; K58-D61 PolarHBondContact O-N 3.45Å; K58-Y62 WeakPolarHBondContact O-CD2 3.32Å; K58-Y62 PolarHBondContact O-N 2.7Å
59L98.1Very high97.2Very high5 Ų547.6 Ų47.63%0.02625%0.25CS..Hα-helixtrans-62.1-39.7176.1-17767.4000110.9L33 V37 Y55 E57 Y62 G63 W79 L80 L89L33-L59 HydrophobicContact CD1-CD2 4.03Å; L33-L59 HydrophobicContact CD2-CB 4.49Å; L33-L59 HydrophobicContact CD2-CD2 3.89Å; L33-L59 HydrophobicContact CG-CD2 3.93Å; V37-L59 HydrophobicContact CG2-CD2 4.01Å; Y55-L59 WeakPolarHBondContact O-CB 3.41Å; Y55-L59 PolarHBondContact O-N 2.79Å; E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 2.83Å; L59-Y62 PolarHBondContact O-N 2.84Å; L59-G63 PolarHBondContact O-N 3.15Å; L59-W79 HydrophobicContact CD1-CB 4.24Å; L59-L80 HydrophobicContact CD2-CD2 4.26Å; L59-L89 HydrophobicContact CD1-CD2 3.84Å; L59-L89 HydrophobicContact CD2-CD1 4.32Å; L59-L89 HydrophobicContact CD2-CD2 4.36Å; L59-L89 HydrophobicContact CG-CD1 4.09Å; L59-L89 HydrophobicContact CG-CD2 3.92Å
60I98.1Very high97.1Very high0 Ų053.6 Ų53.60%028%0.278CS..Hα-helixtrans-65.5-41.2173.7-61.3-56.4000110.7A56 E57 K58 Y62 G63 K64 L89 L93 Y97 Y104 Y125A56-I60 WeakPolarHBondContact O-CG1 3.46Å; A56-I60 PolarHBondContact O-N 3.01Å; E57-I60 WeakPolarHBondContact O-CB 3.36Å; E57-I60 PolarHBondContact O-N 3.42Å; E57-I60 VanDerWaalsContact O-N 3.17Å; K58-I60 VanDerWaalsContact C-N 3.28Å; K58-I60 PolarHBondContact O-N 3.16Å; I60-Y62 VanDerWaalsContact C-N 3.31Å; I60-Y62 PolarHBondContact O-N 3.26Å; I60-G63 WeakPolarHBondContact O-CA 3.26Å; I60-G63 PolarHBondContact O-N 3.35Å; I60-K64 WeakPolarHBondContact O-CG 3.27Å; I60-K64 PolarHBondContact O-N 3.4Å; I60-L89 HydrophobicContact CD1-CD1 3.86Å; I60-L93 HydrophobicContact CD1-CB 3.93Å; I60-L93 HydrophobicContact CD1-CD1 4.27Å; I60-Y97 HydrophobicContact CD1-CD2 4.38Å; I60-Y97 HydrophobicContact CD1-CE2 4.32Å; I60-Y97 HydrophobicContact CG1-CD2 4.49Å; I60-Y97 HydrophobicContact CG2-CD2 3.79Å; I60-Y97 HydrophobicContact CG2-CG 4.42Å; I60-Y104 HydrophobicContact CB-CD2 3.69Å; I60-Y104 HydrophobicContact CB-CE2 3.86Å; I60-Y104 HydrophobicContact CB-CG 4.24Å; I60-Y104 HydrophobicContact CG1-CD2 4.1Å; I60-Y104 HydrophobicContact CG1-CG 4.37Å; I60-Y104 HydrophobicContact CG2-CD1 4.16Å; I60-Y104 HydrophobicContact CG2-CD2 3.76Å; I60-Y104 HydrophobicContact CG2-CE1 4.16Å; I60-Y104 HydrophobicContact CG2-CE2 3.76Å; I60-Y104 HydrophobicContact CG2-CG 3.95Å; I60-Y125 HydrophobicContact CD1-CE1 3.88Å; I60-Y125 HydrophobicContact CG1-CE1 3.76Å
61D97.8Very high97.1Very high67 Ų6759 Ų5936%0.35830%0.295SS..Hα-helixtrans-60-41.4176.1-61.3-30.6000111.7E57 K58 K64 L65 Y104E57-D61 PolarHBondContact O-N 3.3Å; E57-D61 VanDerWaalsContact O-N 3.17Å; K58-D61 WeakPolarHBondContact O-CB 3.43Å; K58-D61 PolarHBondContact O-N 3.45Å; D61-K64 PolarHBondContact O-N 2.6Å; D61-L65 PolarHBondContact O-N 3.06Å; D61-Y104 VanDerWaalsContact OD1-CE2 3.26Å; D61-Y104 WeakPolarHBondContact OD1-CE2 3.2Å; D61-Y104 PolarHBondContact OD1-OH 3.37Å
62Y97.8Very high97Very high47 Ų4758.1 Ų58.118%0.18429%0.291CS..Hα-helixtrans-63.8-40.7171.4-80.7-71000112.2K58 L59 I60 K64 L65 R71 A72 M75K58-Y62 WeakPolarHBondContact O-CD2 3.32Å; K58-Y62 PolarHBondContact O-N 2.7Å; L59-Y62 PolarHBondContact O-N 2.84Å; I60-Y62 VanDerWaalsContact C-N 3.31Å; I60-Y62 PolarHBondContact O-N 3.26Å; Y62-K64 PolarHBondContact O-N 3.47Å; Y62-L65 HydrophobicContact CD1-CD1 3.88Å; Y62-L65 HydrophobicContact CE1-CD1 4.37Å; Y62-L65 WeakPolarHBondContact O-CB 3.41Å; Y62-L65 PolarHBondContact O-N 3.49Å; Y62-L65 VanDerWaalsContact O-N 3.13Å; Y62-R71 HydrophobicContact CE1-CG 4.31Å; Y62-R71 PolarHBondContact OH-NH2 3.48Å; Y62-A72 HydrophobicContact CD1-CB 4.47Å; Y62-A72 WeakPolarHBondContact O-CB 3.25Å; Y62-M75 HydrophobicContact CD1-CB 4.41Å; Y62-M75 HydrophobicContact CD1-CG 4.25Å; Y62-M75 HydrophobicContact CD2-CE 4.35Å; Y62-M75 HydrophobicContact CE1-CG 4.02Å; Y62-M75 HydrophobicContact CE2-CE 3.76Å; Y62-M75 HydrophobicContact CE2-CG 4.38Å; Y62-M75 HydrophobicContact CG-CB 4.36Å
63G96.8Very high97Very high3 Ų361.6 Ų61.63%0.03131%0.308CS..Hα-helixtrans-58-35.717500000112.9L59 I60 L65 G66 F90 A94L59-G63 PolarHBondContact O-N 3.15Å; I60-G63 WeakPolarHBondContact O-CA 3.26Å; I60-G63 PolarHBondContact O-N 3.35Å; G63-L65 VanDerWaalsContact C-N 3.32Å; G63-L65 PolarHBondContact O-N 3.17Å; G63-G66 PolarHBondContact O-N 3.17Å; G63-F90 WeakPolarHBondContact O-CD1 3.46Å; G63-A94 VanDerWaalsContact C-CB 3.48Å; G63-A94 WeakPolarHBondContact O-CB 3.41Å
64K96.6Very high96.9Very high67 Ų6765.8 Ų65.829%0.29132%0.324SS..Hα-helixtrans-72.4-20.7177.8-71.4176172.5-1700114.5I60 D61 Y62 G66 A94 Y97 Q100 Y104I60-K64 WeakPolarHBondContact O-CG 3.27Å; I60-K64 PolarHBondContact O-N 3.4Å; D61-K64 PolarHBondContact O-N 2.6Å; Y62-K64 PolarHBondContact O-N 3.47Å; K64-G66 PolarHBondContact O-N 2.76Å; K64-A94 HydrophobicContact CG-CB 4.28Å; K64-Y97 WeakPolarHBondContact CE-O 3.4Å; K64-Y97 PolarHBondContact NZ-O 2.83Å; K64-Q100 PolarHBondContact NZ-O 3.2Å; K64-Y104 PolarHBondContact NZ-OH 2.98Å
65L96.1Very high96.9Very high98 Ų9866.3 Ų66.351%0.51332%0.316SS..THydrogen-bonded Turntrans-67.9-15.2174.6-63.6176.3000112.6D61 Y62 G63 N69 A72D61-L65 PolarHBondContact O-N 3.06Å; Y62-L65 HydrophobicContact CD1-CD1 3.88Å; Y62-L65 HydrophobicContact CE1-CD1 4.37Å; Y62-L65 WeakPolarHBondContact O-CB 3.41Å; Y62-L65 PolarHBondContact O-N 3.49Å; Y62-L65 VanDerWaalsContact O-N 3.13Å; G63-L65 VanDerWaalsContact C-N 3.32Å; G63-L65 PolarHBondContact O-N 3.17Å; L65-N69 HydrophobicContact CB-CB 4.47Å; L65-A72 HydrophobicContact CB-CB 4.37Å
66G92.7Very high96.9Very high22 Ų2264 Ų6423%0.22731%0.307CS..  trans100159.3179.900000113.5G63 K64 F90G63-G66 PolarHBondContact O-N 3.17Å; K64-G66 PolarHBondContact O-N 2.76Å; G66-F90 WeakPolarHBondContact O-CE1 3.24Å
67D91.9Very high96.9Very high91 Ų9167.8 Ų67.849%0.48733%0.327SS..THydrogen-bonded Turntrans-75.7-26.5177.959.7-13.8000113N69 M73 F90D67-N69 PolarHBondContact O-N 2.84Å; D67-M73 HydrophobicContact CB-CE 4.3Å; D67-F90 HydrophobicContact CB-CB 4.4Å; D67-F90 HydrophobicContact CB-CD1 4.16Å; D67-F90 HydrophobicContact CB-CD2 4.42Å; D67-F90 HydrophobicContact CB-CG 4.09Å
68T95.5Very high96.9Very high128 Ų12870.8 Ų70.879%0.78534%0.34SS*.THydrogen-bonded Turntrans-66.9-19.6173.856.40000113.2E70T68-E70 PolarHBondContact O-N 3.2Å
69N97.2Very high96.9Very high56 Ų5665.4 Ų65.430%0.29932%0.316SS..  trans-78.5108.8178.9-172.3-30000110.5L65 D67 R71 A72 M73L65-N69 HydrophobicContact CB-CB 4.47Å; D67-N69 PolarHBondContact O-N 2.84Å; N69-R71 PolarHBondContact O-N 3.11Å; N69-R71 VanDerWaalsContact O-N 3.13Å; N69-R71 WeakPolarHBondContact OD1-CB 3.44Å; N69-R71 PolarHBondContact OD1-N 2.83Å; N69-A72 HydrophobicContact CB-CB 3.96Å; N69-A72 WeakPolarHBondContact O-CB 3.45Å; N69-A72 PolarHBondContact O-N 2.94Å; N69-A72 PolarHBondContact OD1-N 2.95Å; N69-M73 PolarHBondContact O-N 2.92Å
70E97.1Very high96.9Very high127 Ų12765.1 Ų65.159%0.59331%0.314SS*.Hα-helixtrans-54.1-36.4179.7-67.3-169.9-162.200113.4T68 M73 R74T68-E70 PolarHBondContact O-N 3.2Å; E70-M73 PolarHBondContact O-N 2.99Å; E70-R74 WeakPolarHBondContact O-CB 3.49Å; E70-R74 VanDerWaalsContact O-CG 3.31Å; E70-R74 WeakPolarHBondContact O-CG 3.35Å; E70-R74 PolarHBondContact O-N 2.91Å; E70-R74 IonicContact OE2-CZ 2.87Å; E70-R74 IonicContact OE2-NH2 3.58Å; E70-R74 PolarHBondContact OE2-NH2 2.88Å
71R97.4Very high96.9Very high163 Ų16367.9 Ų67.962%0.61533%0.331SS*.Hα-helixtrans-67.3-41.8178.7-178.8179.7173.5171.2-2.4110.8Y62 N69 M75Y62-R71 HydrophobicContact CE1-CG 4.31Å; Y62-R71 PolarHBondContact OH-NH2 3.48Å; N69-R71 PolarHBondContact O-N 3.11Å; N69-R71 VanDerWaalsContact O-N 3.13Å; N69-R71 WeakPolarHBondContact OD1-CB 3.44Å; N69-R71 PolarHBondContact OD1-N 2.83Å; R71-M75 WeakPolarHBondContact O-CB 3.42Å; R71-M75 WeakPolarHBondContact O-CG 3.28Å; R71-M75 PolarHBondContact O-N 3.34Å; R71-M75 VanDerWaalsContact O-N 3.07Å
72A97Very high96.9Very high0 Ų068 Ų680%033%0.329CS..Hα-helixtrans-65-43.4176.800000110.8Y62 L65 N69 M75 A76 F90Y62-A72 HydrophobicContact CD1-CB 4.47Å; Y62-A72 WeakPolarHBondContact O-CB 3.25Å; L65-A72 HydrophobicContact CB-CB 4.37Å; N69-A72 HydrophobicContact CB-CB 3.96Å; N69-A72 WeakPolarHBondContact O-CB 3.45Å; N69-A72 PolarHBondContact O-N 2.94Å; N69-A72 PolarHBondContact OD1-N 2.95Å; A72-M75 PolarHBondContact O-N 2.81Å; A72-A76 WeakPolarHBondContact O-CB 3.07Å; A72-A76 PolarHBondContact O-N 3.15Å; A72-F90 HydrophobicContact CB-CE1 4.18Å; A72-F90 HydrophobicContact CB-CZ 4.22Å
73M97Very high96.9Very high73 Ų7370.4 Ų70.436%0.3634%0.341SS..Hα-helixtrans-61-48.1177.7-173.259.471.400112.2D67 N69 E70 M75 A76 D77 I86 F90D67-M73 HydrophobicContact CB-CE 4.3Å; N69-M73 PolarHBondContact O-N 2.92Å; E70-M73 PolarHBondContact O-N 2.99Å; M73-M75 VanDerWaalsContact C-N 3.31Å; M73-M75 PolarHBondContact O-N 3.02Å; M73-A76 PolarHBondContact O-N 2.98Å; M73-D77 WeakPolarHBondContact O-CB 3.45Å; M73-D77 PolarHBondContact O-N 3.24Å; M73-I86 HydrophobicContact SD-CG2 3.97Å; M73-F90 HydrophobicContact CE-CE2 4.21Å; M73-F90 HydrophobicContact SD-CE2 4.33Å
74R97.6Very high96.9Very high173 Ų17375 Ų7565%0.65337%0.365SS*.Hα-helixtrans-62.2-37.5176.8-70.4177.7-164.4-179.210.6112.5E70 F78E70-R74 WeakPolarHBondContact O-CB 3.49Å; E70-R74 VanDerWaalsContact O-CG 3.31Å; E70-R74 WeakPolarHBondContact O-CG 3.35Å; E70-R74 PolarHBondContact O-N 2.91Å; E70-R74 IonicContact OE2-CZ 2.87Å; E70-R74 IonicContact OE2-NH2 3.58Å; E70-R74 PolarHBondContact OE2-NH2 2.88Å; R74-F78 WeakPolarHBondContact O-CB 3.48Å; R74-F78 PolarHBondContact O-N 3.28Å
75M97.8Very high97Very high54 Ų5472.2 Ų72.227%0.26635%0.353SS..Hα-helixtrans-66.9-45.8175.8-73.3-65-69.100111.3Y62 R71 A72 M73 D77 F78 W79Y62-M75 HydrophobicContact CD1-CB 4.41Å; Y62-M75 HydrophobicContact CD1-CG 4.25Å; Y62-M75 HydrophobicContact CD2-CE 4.35Å; Y62-M75 HydrophobicContact CE1-CG 4.02Å; Y62-M75 HydrophobicContact CE2-CE 3.76Å; Y62-M75 HydrophobicContact CE2-CG 4.38Å; Y62-M75 HydrophobicContact CG-CB 4.36Å; R71-M75 WeakPolarHBondContact O-CB 3.42Å; R71-M75 WeakPolarHBondContact O-CG 3.28Å; R71-M75 PolarHBondContact O-N 3.34Å; R71-M75 VanDerWaalsContact O-N 3.07Å; A72-M75 PolarHBondContact O-N 2.81Å; M73-M75 VanDerWaalsContact C-N 3.31Å; M73-M75 PolarHBondContact O-N 3.02Å; M75-D77 VanDerWaalsContact C-N 3.33Å; M75-D77 PolarHBondContact O-N 2.83Å; M75-F78 PolarHBondContact O-N 2.85Å; M75-W79 VanDerWaalsContact CE-NE1 3.33Å; M75-W79 WeakPolarHBondContact O-CB 3.26Å; M75-W79 PolarHBondContact O-N 3.48Å
76A97.7Very high97.1Very high1 Ų168.4 Ų68.41%0.00833%0.333CS..Hα-helixtrans-60.4-44.2175.900000111.2A72 M73 F78 W79 L80 I86 L89 F90A72-A76 WeakPolarHBondContact O-CB 3.07Å; A72-A76 PolarHBondContact O-N 3.15Å; M73-A76 PolarHBondContact O-N 2.98Å; A76-F78 PolarHBondContact O-N 3.02Å; A76-W79 PolarHBondContact O-N 3.02Å; A76-L80 VanDerWaalsContact O-CB 3.3Å; A76-L80 WeakPolarHBondContact O-CB 3.43Å; A76-L80 PolarHBondContact O-N 3.35Å; A76-I86 HydrophobicContact CB-CG2 4.24Å; A76-L89 HydrophobicContact CB-CD2 4.01Å; A76-F90 HydrophobicContact CB-CE2 3.89Å; A76-F90 HydrophobicContact CB-CZ 4.09Å
77D98.1Very high97.3Very high79 Ų7970.2 Ų70.242%0.42234%0.341SS..Hα-helixtrans-60.9-43.8176.7-175.165.9000112.3M73 M75 K83 I86M73-D77 WeakPolarHBondContact O-CB 3.45Å; M73-D77 PolarHBondContact O-N 3.24Å; M75-D77 VanDerWaalsContact C-N 3.33Å; M75-D77 PolarHBondContact O-N 2.83Å; D77-K83 VanDerWaalsContact CG-NZ 3.33Å; D77-K83 PolarHBondContact O-NZ 2.9Å; D77-K83 WeakPolarHBondContact OD1-CE 3.42Å; D77-K83 IonicContact OD1-NZ 3.79Å; D77-K83 PolarHBondContact OD1-NZ 3.34Å; D77-K83 IonicContact OD2-NZ 2.83Å; D77-I86 HydrophobicContact CB-CD1 4.48Å
78F98.3Very high97.6Very high93 Ų9368.1 Ų68.141%0.40833%0.327SS..Hα-helixtrans-66.6-42.4177.8175.1-94.6000112.9I26 R30 R74 M75 A76I26-F78 HydrophobicContact CG2-CE1 4.19Å; I26-F78 HydrophobicContact CG2-CZ 3.99Å; R30-F78 WeakPolarHBondContact CD-O 3.44Å; R30-F78 PolarHBondContact NH1-O 2.9Å; R74-F78 WeakPolarHBondContact O-CB 3.48Å; R74-F78 PolarHBondContact O-N 3.28Å; M75-F78 PolarHBondContact O-N 2.85Å; A76-F78 PolarHBondContact O-N 3.02Å
79W98.4Very high97.7Very high26 Ų2662.1 Ų62.110%0.09829%0.29CS..Hα-helixtrans-84.3-27.1-173-78.9107.5000114I26 R30 L33 T34 Y55 L59 M75 A76I26-W79 HydrophobicContact CD1-CH2 4.4Å; I26-W79 HydrophobicContact CG2-CH2 4.49Å; R30-W79 HydrophobicContact CB-CE3 4.24Å; R30-W79 HydrophobicContact CB-CZ3 4.4Å; R30-W79 HydrophobicContact CG-CE3 4.25Å; R30-W79 WeakPolarHBondContact CG-O 3.09Å; L33-W79 HydrophobicContact CD2-CB 4.19Å; L33-W79 HydrophobicContact CD2-CD2 4.14Å; L33-W79 HydrophobicContact CD2-CE3 3.76Å; L33-W79 HydrophobicContact CD2-CG 4.34Å; T34-W79 PolarHBondContact OG1-O 3.41Å; Y55-W79 AromaticContact CD1-CH2 3.29Å; Y55-W79 HydrophobicContact CD1-CH2 3.29Å; Y55-W79 AromaticContact CD1-CZ2 3.48Å; Y55-W79 HydrophobicContact CD1-CZ2 3.48Å; Y55-W79 VanDerWaalsContact CD1-CZ2 3.48Å; Y55-W79 HydrophobicContact CD1-CZ3 4.09Å; Y55-W79 AromaticContact CE1-CH2 3.55Å; Y55-W79 HydrophobicContact CE1-CH2 3.55Å; Y55-W79 AromaticContact CE1-CZ2 3.8Å; Y55-W79 HydrophobicContact CE1-CZ2 3.8Å; Y55-W79 HydrophobicContact CG-CH2 4.08Å; Y55-W79 HydrophobicContact CG-CZ3 4.49Å; L59-W79 HydrophobicContact CD1-CB 4.24Å; M75-W79 VanDerWaalsContact CE-NE1 3.33Å; M75-W79 WeakPolarHBondContact O-CB 3.26Å; M75-W79 PolarHBondContact O-N 3.48Å; A76-W79 PolarHBondContact O-N 3.02Å
80L98.2Very high97.8Very high0 Ų060.5 Ų60.50%028%0.281CS..  trans-100.7108.5176.5-61175.5000108.9V37 L59 A76 E82 K83 L85 I86 L89V37-L80 HydrophobicContact CB-CD2 4.1Å; V37-L80 HydrophobicContact CG1-CD2 4.3Å; V37-L80 HydrophobicContact CG2-CD2 3.99Å; L59-L80 HydrophobicContact CD2-CD2 4.26Å; A76-L80 VanDerWaalsContact O-CB 3.3Å; A76-L80 WeakPolarHBondContact O-CB 3.43Å; A76-L80 PolarHBondContact O-N 3.35Å; L80-E82 VanDerWaalsContact C-N 3.27Å; L80-K83 PolarHBondContact O-NZ 2.57Å; L80-K83 VanDerWaalsContact O-NZ 3.12Å; L80-L85 HydrophobicContact CD1-CB 4.1Å; L80-L85 HydrophobicContact CD2-CD1 4.5Å; L80-I86 HydrophobicContact CB-CG1 4.29Å; L80-I86 HydrophobicContact CD1-CG1 4.01Å; L80-L89 HydrophobicContact CD1-CB 4.35Å; L80-L89 HydrophobicContact CD1-CD2 4.16Å
81T97.7Very high97.8Very high57 Ų5761 Ų6135%0.3528%0.283SS..SBendtrans-68.3-34.1177.151.70000111.2R30 T34R30-T81 HydrophobicContact CG-CG2 4.08Å; T34-T81 WeakPolarHBondContact CG2-OG1 3.49Å; T34-T81 PolarHBondContact OG1-N 3.25Å; T34-T81 PolarHBondContact OG1-OG1 3.48Å
82E97.9Very high97.8Very high69 Ų6956.4 Ų56.432%0.32227%0.273SS..SBendtrans-94.4115178.3-59.6173.5157.800109.3T34 R38 L80 D84 L85T34-E82 HydrophobicContact CG2-CB 3.99Å; T34-E82 HydrophobicContact CG2-CG 3.82Å; T34-E82 WeakPolarHBondContact CG2-OE2 3.27Å; R38-E82 IonicContact CZ-OE1 3.53Å; R38-E82 IonicContact CZ-OE2 3.28Å; R38-E82 VanDerWaalsContact NE-CD 3.35Å; R38-E82 IonicContact NE-OE1 3.09Å; R38-E82 PolarHBondContact NE-OE1 3.27Å; R38-E82 IonicContact NE-OE2 3.69Å; R38-E82 PolarHBondContact NE-OE2 2.81Å; R38-E82 IonicContact NH2-OE1 2.98Å; R38-E82 PolarHBondContact NH2-OE1 3.04Å; R38-E82 IonicContact NH2-OE2 3.47Å; R38-E82 PolarHBondContact NH2-OE2 3.47Å; L80-E82 VanDerWaalsContact C-N 3.27Å; E82-D84 VanDerWaalsContact C-N 3.35Å; E82-D84 VanDerWaalsContact C-OD1 3.27Å; E82-D84 WeakPolarHBondContact CB-OD1 3.49Å; E82-L85 HydrophobicContact CB-CD1 4.11Å; E82-L85 HydrophobicContact CB-CG 4.17Å; E82-L85 WeakPolarHBondContact O-CB 3.45Å; E82-L85 PolarHBondContact O-N 2.94Å; E82-L85 WeakPolarHBondContact OE2-CD1 3.48Å
83K97.3Very high97.9Very high99 Ų9956.4 Ų56.443%0.4327%0.273SS..THydrogen-bonded Turntrans-78.4-20.6-167.4-53.4-56.7174.31780113.7D77 L80 L85 I86D77-K83 VanDerWaalsContact CG-NZ 3.33Å; D77-K83 PolarHBondContact O-NZ 2.9Å; D77-K83 WeakPolarHBondContact OD1-CE 3.42Å; D77-K83 IonicContact OD1-NZ 3.79Å; D77-K83 PolarHBondContact OD1-NZ 3.34Å; D77-K83 IonicContact OD2-NZ 2.83Å; L80-K83 PolarHBondContact O-NZ 2.57Å; L80-K83 VanDerWaalsContact O-NZ 3.12Å; K83-L85 PolarHBondContact O-N 2.99Å; K83-I86 HydrophobicContact CB-CD1 4.38Å; K83-I86 HydrophobicContact CD-CD1 3.86Å; K83-I86 PolarHBondContact O-N 3.17Å
84D97.8Very high97.9Very high99 Ų9953.3 Ų53.353%0.52926%0.259SS..THydrogen-bonded Turntrans-59.6-23.4169.759.1-35.2000112.8R38 E82 P87R38-D84 IonicContact CZ-OD2 3.49Å; R38-D84 IonicContact NH2-OD1 2.82Å; R38-D84 IonicContact NH2-OD2 2.8Å; R38-D84 PolarHBondContact NH2-OD2 3.47Å; E82-D84 VanDerWaalsContact C-N 3.35Å; E82-D84 VanDerWaalsContact C-OD1 3.27Å; E82-D84 WeakPolarHBondContact CB-OD1 3.49Å; D84-P87 WeakPolarHBondContact O-CD 3.48Å
85L98.2Very high97.9Very high8 Ų848.6 Ų48.64%0.04225%0.251CS..Hα-helixtrans-81.9-16179.2-59-176.8000114T34 V37 R38 L80 E82 K83 K88 L89T34-L85 HydrophobicContact CG2-CD1 3.63Å; T34-L85 WeakPolarHBondContact O-CD1 3.44Å; V37-L85 HydrophobicContact CB-CD1 4.29Å; V37-L85 HydrophobicContact CG1-CB 4Å; V37-L85 HydrophobicContact CG1-CD1 4.16Å; V37-L85 HydrophobicContact CG1-CG 4.49Å; R38-L85 HydrophobicContact CB-CD1 4.01Å; R38-L85 HydrophobicContact CB-CD2 4.1Å; R38-L85 HydrophobicContact CG-CD2 4.49Å; L80-L85 HydrophobicContact CD1-CB 4.1Å; L80-L85 HydrophobicContact CD2-CD1 4.5Å; E82-L85 HydrophobicContact CB-CD1 4.11Å; E82-L85 HydrophobicContact CB-CG 4.17Å; E82-L85 WeakPolarHBondContact O-CB 3.45Å; E82-L85 PolarHBondContact O-N 2.94Å; E82-L85 WeakPolarHBondContact OE2-CD1 3.48Å; K83-L85 PolarHBondContact O-N 2.99Å; L85-K88 WeakPolarHBondContact O-CB 3.49Å; L85-K88 PolarHBondContact O-N 3.4Å; L85-L89 PolarHBondContact O-N 3.06Å
86I98Very high97.9Very high18 Ų1849.7 Ų49.79%0.09225%0.252CS..Hα-helixtrans-63.3-49.1-177.7-60.9172000110.7M73 A76 D77 L80 K83 K88 L89 F90M73-I86 HydrophobicContact SD-CG2 3.97Å; A76-I86 HydrophobicContact CB-CG2 4.24Å; D77-I86 HydrophobicContact CB-CD1 4.48Å; L80-I86 HydrophobicContact CB-CG1 4.29Å; L80-I86 HydrophobicContact CD1-CG1 4.01Å; K83-I86 HydrophobicContact CB-CD1 4.38Å; K83-I86 HydrophobicContact CD-CD1 3.86Å; K83-I86 PolarHBondContact O-N 3.17Å; I86-K88 VanDerWaalsContact C-N 3.3Å; I86-K88 PolarHBondContact O-N 2.88Å; I86-L89 WeakPolarHBondContact O-CB 3.45Å; I86-L89 PolarHBondContact O-N 2.87Å; I86-L89 VanDerWaalsContact O-N 3.15Å; I86-F90 HydrophobicContact CG2-CD2 3.87Å; I86-F90 HydrophobicContact CG2-CE2 3.69Å; I86-F90 VanDerWaalsContact O-CD2 3.3Å; I86-F90 WeakPolarHBondContact O-CD2 3.49Å; I86-F90 PolarHBondContact O-N 3.31Å
87P98.1Very high97.9Very high61 Ų6149.7 Ų49.740%0.39625%0.252SS..Hα-helixtrans-58.9-39.7173.3-24.834.9000112.9D84 L89 F90 Q91D84-P87 WeakPolarHBondContact O-CD 3.48Å; P87-L89 VanDerWaalsContact C-N 3.28Å; P87-L89 PolarHBondContact O-N 3.48Å; P87-F90 PolarHBondContact O-N 3.29Å; P87-Q91 VanDerWaalsContact O-CB 3.25Å; P87-Q91 WeakPolarHBondContact O-CB 3.21Å; P87-Q91 WeakPolarHBondContact O-CG 3.49Å; P87-Q91 PolarHBondContact O-N 3.05Å
88K98.1Very high97.7Very high47 Ų4753.5 Ų53.520%0.20426%0.264CS..Hα-helixtrans-58.6-41176.6-175.5-176.2-179.4-173.90111.5V37 R38 E40 L85 I86 V92 L93V37-K88 PolarHBondContact O-NZ 3.5Å; R38-K88 PolarHBondContact O-NZ 2.91Å; R38-K88 VanDerWaalsContact O-NZ 3.11Å; E40-K88 VanDerWaalsContact OE1-CE 3.26Å; E40-K88 WeakPolarHBondContact OE1-CE 3.33Å; E40-K88 IonicContact OE1-NZ 2.69Å; E40-K88 PolarHBondContact OE1-NZ 3.42Å; L85-K88 WeakPolarHBondContact O-CB 3.49Å; L85-K88 PolarHBondContact O-N 3.4Å; I86-K88 VanDerWaalsContact C-N 3.3Å; I86-K88 PolarHBondContact O-N 2.88Å; K88-V92 HydrophobicContact CG-CB 4.24Å; K88-V92 HydrophobicContact CG-CG2 4.41Å; K88-V92 WeakPolarHBondContact O-CA 3.39Å; K88-V92 VanDerWaalsContact O-CB 3.29Å; K88-V92 WeakPolarHBondContact O-CB 3.3Å; K88-V92 PolarHBondContact O-N 2.69Å; K88-L93 PolarHBondContact O-N 3.35Å
89L97.8Very high97.6Very high1 Ų156.2 Ų56.21%0.00528%0.283CS..Iπ-helixtrans-60.1-52177.4178.366000111.4L59 I60 A76 L80 L85 I86 P87 L93 A94L59-L89 HydrophobicContact CD1-CD2 3.84Å; L59-L89 HydrophobicContact CD2-CD1 4.32Å; L59-L89 HydrophobicContact CD2-CD2 4.36Å; L59-L89 HydrophobicContact CG-CD1 4.09Å; L59-L89 HydrophobicContact CG-CD2 3.92Å; I60-L89 HydrophobicContact CD1-CD1 3.86Å; A76-L89 HydrophobicContact CB-CD2 4.01Å; L80-L89 HydrophobicContact CD1-CB 4.35Å; L80-L89 HydrophobicContact CD1-CD2 4.16Å; L85-L89 PolarHBondContact O-N 3.06Å; I86-L89 WeakPolarHBondContact O-CB 3.45Å; I86-L89 PolarHBondContact O-N 2.87Å; I86-L89 VanDerWaalsContact O-N 3.15Å; P87-L89 VanDerWaalsContact C-N 3.28Å; P87-L89 PolarHBondContact O-N 3.48Å; L89-L93 HydrophobicContact CD1-CB 4.42Å; L89-L93 HydrophobicContact CD1-CD1 4.26Å; L89-L93 PolarHBondContact O-N 2.69Å; L89-A94 WeakPolarHBondContact O-CB 3.46Å; L89-A94 PolarHBondContact O-N 2.65Å
90F98.1Very high97.5Very high22 Ų2258.4 Ų58.410%0.09629%0.294CS..Iπ-helixtrans-77.8-35-174.5-70.7-72.6000113.9G63 G66 D67 A72 M73 A76 I86 P87 P95G63-F90 WeakPolarHBondContact O-CD1 3.46Å; G66-F90 WeakPolarHBondContact O-CE1 3.24Å; D67-F90 HydrophobicContact CB-CB 4.4Å; D67-F90 HydrophobicContact CB-CD1 4.16Å; D67-F90 HydrophobicContact CB-CD2 4.42Å; D67-F90 HydrophobicContact CB-CG 4.09Å; A72-F90 HydrophobicContact CB-CE1 4.18Å; A72-F90 HydrophobicContact CB-CZ 4.22Å; M73-F90 HydrophobicContact CE-CE2 4.21Å; M73-F90 HydrophobicContact SD-CE2 4.33Å; A76-F90 HydrophobicContact CB-CE2 3.89Å; A76-F90 HydrophobicContact CB-CZ 4.09Å; I86-F90 HydrophobicContact CG2-CD2 3.87Å; I86-F90 HydrophobicContact CG2-CE2 3.69Å; I86-F90 VanDerWaalsContact O-CD2 3.3Å; I86-F90 WeakPolarHBondContact O-CD2 3.49Å; I86-F90 PolarHBondContact O-N 3.31Å; P87-F90 PolarHBondContact O-N 3.29Å; F90-P95 VanDerWaalsContact O-CD 3.28Å; F90-P95 WeakPolarHBondContact O-CD 3.39Å
91Q97.8Very high97.2Very high138 Ų13866.1 Ų66.165%0.64534%0.336SS*.Iπ-helixtrans-96.9-25.8-172.4-60.6175.70.200113.4P87 P95P87-Q91 VanDerWaalsContact O-CB 3.25Å; P87-Q91 WeakPolarHBondContact O-CB 3.21Å; P87-Q91 WeakPolarHBondContact O-CG 3.49Å; P87-Q91 PolarHBondContact O-N 3.05Å; Q91-P95 WeakPolarHBondContact O-CG 3.41Å
92V97.7Very high97.1Very high66 Ų6665.1 Ų65.140%0.434%0.337SS..Iπ-helixtrans-112.3-56-176.5-177.10000111.3K88 R96K88-V92 HydrophobicContact CG-CB 4.24Å; K88-V92 HydrophobicContact CG-CG2 4.41Å; K88-V92 WeakPolarHBondContact O-CA 3.39Å; K88-V92 VanDerWaalsContact O-CB 3.29Å; K88-V92 WeakPolarHBondContact O-CB 3.3Å; K88-V92 PolarHBondContact O-N 2.69Å; V92-R96 VanDerWaalsContact O-CB 3.29Å; V92-R96 WeakPolarHBondContact O-CB 3.37Å; V92-R96 PolarHBondContact O-N 3.38Å
93L97.7Very high97Very high0 Ų063.1 Ų63.10%034%0.335CS..Iπ-helixtrans-74.3-46.5-173-65.4178.2000112.3V37 I60 K88 L89 R96 Y97 Y125V37-L93 HydrophobicContact CG1-CD1 4Å; V37-L93 HydrophobicContact CG2-CD1 4.41Å; I60-L93 HydrophobicContact CD1-CB 3.93Å; I60-L93 HydrophobicContact CD1-CD1 4.27Å; K88-L93 PolarHBondContact O-N 3.35Å; L89-L93 HydrophobicContact CD1-CB 4.42Å; L89-L93 HydrophobicContact CD1-CD1 4.26Å; L89-L93 PolarHBondContact O-N 2.69Å; L93-R96 WeakPolarHBondContact O-CB 3.43Å; L93-R96 PolarHBondContact O-N 3.33Å; L93-Y97 WeakPolarHBondContact O-CD2 3.49Å; L93-Y97 PolarHBondContact O-N 3.41Å; L93-Y125 HydrophobicContact CD1-CD2 4.38Å; L93-Y125 HydrophobicContact CD1-CE2 4.08Å; L93-Y125 HydrophobicContact CD2-CD2 4.43Å
94A97.1Very high97.1Very high8 Ų858.6 Ų58.67%0.06632%0.315CS..Hα-helixtrans-62-46.2-178.800000112.9G63 K64 L89 R96 Y97 K98G63-A94 VanDerWaalsContact C-CB 3.48Å; G63-A94 WeakPolarHBondContact O-CB 3.41Å; K64-A94 HydrophobicContact CG-CB 4.28Å; L89-A94 WeakPolarHBondContact O-CB 3.46Å; L89-A94 PolarHBondContact O-N 2.65Å; A94-R96 PolarHBondContact O-N 3Å; A94-Y97 PolarHBondContact O-N 2.86Å; A94-K98 PolarHBondContact O-N 3.22Å
95P97.6Very high97.1Very high74 Ų7454 Ų5448%0.48129%0.29SS..Hα-helixtrans-66-35.3177.2-25.238.7000112.9F90 Q91 Y97 K98F90-P95 VanDerWaalsContact O-CD 3.28Å; F90-P95 WeakPolarHBondContact O-CD 3.39Å; Q91-P95 WeakPolarHBondContact O-CG 3.41Å; P95-Y97 PolarHBondContact O-N 3.3Å; P95-Y97 VanDerWaalsContact O-N 3.16Å; P95-K98 WeakPolarHBondContact O-CB 3.41Å; P95-K98 PolarHBondContact O-N 3.25Å
96R97.6Very high97Very high78 Ų7857.3 Ų57.329%0.29430%0.303SS..Hα-helixtrans-55.4-32.8176-174.5-169.8-63-178.32.1112.5E40 V92 L93 A94 G127E40-R96 IonicContact OE1-NH2 2.65Å; E40-R96 PolarHBondContact OE1-NH2 3.23Å; E40-R96 IonicContact OE2-CZ 3.04Å; E40-R96 IonicContact OE2-NH1 3.48Å; E40-R96 PolarHBondContact OE2-NH1 2.76Å; E40-R96 IonicContact OE2-NH2 3.5Å; E40-R96 PolarHBondContact OE2-NH2 3.46Å; V92-R96 VanDerWaalsContact O-CB 3.29Å; V92-R96 WeakPolarHBondContact O-CB 3.37Å; V92-R96 PolarHBondContact O-N 3.38Å; L93-R96 WeakPolarHBondContact O-CB 3.43Å; L93-R96 PolarHBondContact O-N 3.33Å; A94-R96 PolarHBondContact O-N 3Å; R96-G127 PolarHBondContact NH1-O 3.36Å
97Y97.6Very high97Very high1 Ų158.4 Ų58.40%0.00431%0.308CS..THydrogen-bonded Turntrans-106.915.3-176.9-56.9-59.5000114.2I60 K64 L93 A94 P95 D99 Q100 Y104 Y125 K126I60-Y97 HydrophobicContact CD1-CD2 4.38Å; I60-Y97 HydrophobicContact CD1-CE2 4.32Å; I60-Y97 HydrophobicContact CG1-CD2 4.49Å; I60-Y97 HydrophobicContact CG2-CD2 3.79Å; I60-Y97 HydrophobicContact CG2-CG 4.42Å; K64-Y97 WeakPolarHBondContact CE-O 3.4Å; K64-Y97 PolarHBondContact NZ-O 2.83Å; L93-Y97 WeakPolarHBondContact O-CD2 3.49Å; L93-Y97 PolarHBondContact O-N 3.41Å; A94-Y97 PolarHBondContact O-N 2.86Å; P95-Y97 PolarHBondContact O-N 3.3Å; P95-Y97 VanDerWaalsContact O-N 3.16Å; Y97-D99 PolarHBondContact O-N 3.31Å; Y97-D99 VanDerWaalsContact O-N 3.17Å; Y97-Q100 PolarHBondContact O-N 2.95Å; Y97-Y104 AromaticContact CD1-CD1 3.95Å; Y97-Y104 HydrophobicContact CD1-CD1 3.95Å; Y97-Y104 HydrophobicContact CD2-CD1 4.18Å; Y97-Y104 HydrophobicContact CD2-CG 4.43Å; Y97-Y104 AromaticContact CG-CD1 3.67Å; Y97-Y104 HydrophobicContact CG-CD1 3.67Å; Y97-Y104 HydrophobicContact CG-CE1 4.33Å; Y97-Y104 HydrophobicContact CG-CG 4.33Å; Y97-Y125 HydrophobicContact CE2-CD1 4.16Å; Y97-Y125 WeakPolarHBondContact OH-CB 3.38Å; Y97-K126 HydrophobicContact CE1-CB 4.19Å; Y97-K126 WeakPolarHBondContact CE1-O 3.42Å; Y97-K126 PolarHBondContact OH-N 2.8Å; Y97-K126 VanDerWaalsContact OH-N 3.15Å; Y97-K126 PolarHBondContact OH-O 3.02Å
98K95.3Very high97Very high158 Ų15857.4 Ų57.469%0.68730%0.299SS*.THydrogen-bonded Turntrans-51.1-42.5-175.6-175.5-179176-175.40113A94 P95 Q100A94-K98 PolarHBondContact O-N 3.22Å; P95-K98 WeakPolarHBondContact O-CB 3.41Å; P95-K98 PolarHBondContact O-N 3.25Å; K98-Q100 VanDerWaalsContact C-N 3.35Å; K98-Q100 PolarHBondContact O-N 3.43Å
99D95.8Very high97Very high151 Ų15160.7 Ų60.781%0.80732%0.315SS*.THydrogen-bonded Turntrans-85.3-5.3-174.9-50.4-42.7000114Y97Y97-D99 PolarHBondContact O-N 3.31Å; Y97-D99 VanDerWaalsContact O-N 3.17Å
100Q95.8Very high97Very high71 Ų7162.5 Ų62.533%0.33232%0.324SS..  trans-105130.3-175.7-63.9176.445.600110.5K64 Y97 K98 G102 Y104K64-Q100 PolarHBondContact NZ-O 3.2Å; Y97-Q100 PolarHBondContact O-N 2.95Å; K98-Q100 VanDerWaalsContact C-N 3.35Å; K98-Q100 PolarHBondContact O-N 3.43Å; Q100-G102 VanDerWaalsContact C-N 3.33Å; Q100-G102 PolarHBondContact O-N 3.38Å; Q100-Y104 HydrophobicContact CB-CD1 4.45Å; Q100-Y104 HydrophobicContact CB-CE1 4.16Å; Q100-Y104 WeakPolarHBondContact O-CE1 3.47Å
101N93.1Very high96.9Very high163 Ų16367 Ų6787%0.87236%0.355SS*.SBendtrans-909.1179.3-68.8-11.5000114.3
102G95.2Very high97Very high35 Ų3564 Ų6436%0.36134%0.344SS..SBendtrans156.4178.7178.300000112.8Q100Q100-G102 VanDerWaalsContact C-N 3.33Å; Q100-G102 PolarHBondContact O-N 3.38Å
103G96.1Very high96.9Very high28 Ų2865.6 Ų65.629%0.28934%0.343SS..  trans70.639.8-178.200000111.4E57 T105 K126E57-G103 WeakPolarHBondContact OE2-CA 3.11Å; E57-G103 PolarHBondContact OE2-N 2.65Å; G103-T105 PolarHBondContact O-N 2.96Å; G103-K126 WeakPolarHBondContact O-CD 3.46Å; G103-K126 WeakPolarHBondContact O-CE 3.2Å; G103-K126 PolarHBondContact O-NZ 3.49Å
104Y97.9Very high96.9Very high3 Ų370.5 Ų70.51%0.01238%0.377CS..  trans-69-29.4179.3-45.2-59000111.6E57 I60 D61 K64 Y97 Q100 K126E57-Y104 HydrophobicContact CB-CD2 4.34Å; E57-Y104 PolarHBondContact OE1-N 3.24Å; E57-Y104 VanDerWaalsContact OE1-N 3.17Å; E57-Y104 WeakPolarHBondContact OE2-CD2 3.3Å; E57-Y104 PolarHBondContact OE2-N 2.88Å; I60-Y104 HydrophobicContact CB-CD2 3.69Å; I60-Y104 HydrophobicContact CB-CE2 3.86Å; I60-Y104 HydrophobicContact CB-CG 4.24Å; I60-Y104 HydrophobicContact CG1-CD2 4.1Å; I60-Y104 HydrophobicContact CG1-CG 4.37Å; I60-Y104 HydrophobicContact CG2-CD1 4.16Å; I60-Y104 HydrophobicContact CG2-CD2 3.76Å; I60-Y104 HydrophobicContact CG2-CE1 4.16Å; I60-Y104 HydrophobicContact CG2-CE2 3.76Å; I60-Y104 HydrophobicContact CG2-CG 3.95Å; D61-Y104 VanDerWaalsContact OD1-CE2 3.26Å; D61-Y104 WeakPolarHBondContact OD1-CE2 3.2Å; D61-Y104 PolarHBondContact OD1-OH 3.37Å; K64-Y104 PolarHBondContact NZ-OH 2.98Å; Y97-Y104 AromaticContact CD1-CD1 3.95Å; Y97-Y104 HydrophobicContact CD1-CD1 3.95Å; Y97-Y104 HydrophobicContact CD2-CD1 4.18Å; Y97-Y104 HydrophobicContact CD2-CG 4.43Å; Y97-Y104 AromaticContact CG-CD1 3.67Å; Y97-Y104 HydrophobicContact CG-CD1 3.67Å; Y97-Y104 HydrophobicContact CG-CE1 4.33Å; Y97-Y104 HydrophobicContact CG-CG 4.33Å; Q100-Y104 HydrophobicContact CB-CD1 4.45Å; Q100-Y104 HydrophobicContact CB-CE1 4.16Å; Q100-Y104 WeakPolarHBondContact O-CE1 3.47Å; Y104-K126 PolarHBondContact O-N 3.12Å
105T98Very high96.9Very high2 Ų278 Ų781%0.01242%0.415CS..EExtended strand (participates in β ladder)trans-98.8142.4179.965.10000112.3R53 A56 E57 G103 I123 E124 Y125R53-T105 WeakPolarHBondContact CG-OG1 3.45Å; R53-T105 PolarHBondContact NE-OG1 2.9Å; R53-T105 PolarHBondContact NH2-O 3.35Å; A56-T105 HydrophobicContact CB-CG2 4Å; E57-T105 VanDerWaalsContact OE1-CB 3.28Å; E57-T105 WeakPolarHBondContact OE1-CB 3.44Å; E57-T105 WeakPolarHBondContact OE1-CG2 3.28Å; E57-T105 PolarHBondContact OE1-N 3.31Å; E57-T105 PolarHBondContact OE1-OG1 3.27Å; G103-T105 PolarHBondContact O-N 2.96Å; T105-I123 HydrophobicContact CG2-CD1 4.2Å; T105-I123 HydrophobicContact CG2-CG1 4.45Å; T105-E124 CarbonylContact C-O 3.56Å; T105-E124 VanDerWaalsContact CA-O 3.27Å; T105-E124 WeakPolarHBondContact CA-O 3.39Å; T105-Y125 HydrophobicContact CG2-CD1 4.04Å; T105-Y125 HydrophobicContact CG2-CE1 3.83Å
106R97.4Very high96.8Very high79 Ų7978.6 Ų78.630%0.29841%0.414SS..EExtended strand (participates in β ladder)trans-109.9129.4165.5-178.3-176.4-67.4141.4-7.2108.5L108 I123 E124R106-L108 HydrophobicContact CG-CG 4.36Å; R106-I123 VanDerWaalsContact O-CA 3.32Å; R106-I123 WeakPolarHBondContact O-CA 3.19Å; R106-E124 HydrophobicContact CB-CG 3.91Å; R106-E124 IonicContact CZ-OE1 3.45Å; R106-E124 PolarHBondContact N-O 3.17Å; R106-E124 IonicContact NH1-OE1 2.74Å; R106-E124 PolarHBondContact NH1-OE1 2.74Å; R106-E124 PolarHBondContact O-N 3.2Å
107M97.8Very high96.8Very high40 Ų4083.2 Ų83.220%0.19743%0.432CS..EExtended strand (participates in β ladder)trans-117.9130.8175.1-178.3-179.572.700109.1V49 D50 A121 V122V49-M107 HydrophobicContact CB-SD 4.45Å; V49-M107 HydrophobicContact CG1-CG 3.9Å; V49-M107 HydrophobicContact CG1-SD 3.71Å; D50-M107 HydrophobicContact CB-SD 4.35Å; M107-A121 HydrophobicContact CG-CB 4.31Å; M107-V122 WeakPolarHBondContact CA-O 3.43Å
108L97.7Very high96.8Very high40 Ų4084.3 Ų84.321%0.20944%0.441CS..EExtended strand (participates in β ladder)trans-129.1144.8174.4-61.7170.9000109.4R106 A121 V122 L133 L135R106-L108 HydrophobicContact CG-CG 4.36Å; L108-A121 CarbonylContact O-C 3.6Å; L108-A121 VanDerWaalsContact O-CA 3.26Å; L108-A121 WeakPolarHBondContact O-CA 3.45Å; L108-A121 WeakPolarHBondContact O-CB 3.45Å; L108-V122 HydrophobicContact CB-CG1 3.82Å; L108-V122 PolarHBondContact N-O 3.4Å; L108-V122 PolarHBondContact O-N 3.13Å; L108-L133 HydrophobicContact CD1-CB 4.11Å; L108-L133 HydrophobicContact CD1-CD1 3.99Å; L108-L135 HydrophobicContact CD1-CD2 3.6Å
109Q97.8Very high96.9Very high117 Ų11781.1 Ų81.155%0.54743%0.427SS..EExtended strand (participates in β ladder)trans-78.9135.9171.2-174.5177.2-26.600109.2K119Q109-K119 VanDerWaalsContact NE2-CE 3.28Å
110I97.3Very high97.1Very high38 Ų3874.7 Ų74.720%0.19539%0.392CS..EExtended strand (participates in β ladder)trans-112.7166.5174.558.3169.3000109.5E43 M120 V122E43-I110 HydrophobicContact CB-CD1 4.29Å; E43-I110 HydrophobicContact CG-CD1 4.08Å; I110-M120 HydrophobicContact CD1-CB 3.73Å; I110-M120 HydrophobicContact CG1-CB 3.49Å; I110-M120 VanDerWaalsContact CG1-CB 3.49Å; I110-M120 PolarHBondContact N-O 2.88Å; I110-V122 HydrophobicContact CG2-CB 4.08Å; I110-V122 HydrophobicContact CG2-CG1 3.75Å
111P97.4Very high97.2Very high116 Ų11671.3 Ų71.375%0.75338%0.376SS*.PPolyproline II helixtrans-53.1149.7176.2-27.236.5000112.2
112N98.1Very high97.5Very high75 Ų7563.7 Ų63.740%0.40134%0.336SS..PPolyproline II helixtrans-62141.6177.9-68.11.6000110.1S114 R117 A118N112-S114 PolarHBondContact O-N 2.94Å; N112-R117 PolarHBondContact ND2-O 3.01Å; N112-A118 VanDerWaalsContact CA-O 3.27Å; N112-A118 WeakPolarHBondContact CA-O 3.3Å; N112-A118 WeakPolarHBondContact CB-O 3.44Å
113R97.4Very high97.6Very high100 Ų10062 Ų6238%0.37732%0.319SS..PPolyproline II helixtrans-61.1137.6-179.7175.1165.950.1-167.6-4.2111L115 D116 R117 A118 M120R113-L115 HydrophobicContact CG-CB 4.49Å; R113-L115 PolarHBondContact O-N 3.38Å; R113-D116 IonicContact CZ-OD1 2.79Å; R113-D116 IonicContact CZ-OD2 2.65Å; R113-D116 IonicContact NE-OD1 2.7Å; R113-D116 PolarHBondContact NE-OD1 3.39Å; R113-D116 IonicContact NE-OD2 3.76Å; R113-D116 PolarHBondContact NE-OD2 2.86Å; R113-D116 IonicContact NH2-OD1 3.67Å; R113-D116 PolarHBondContact NH2-OD1 3.47Å; R113-D116 IonicContact NH2-OD2 2.79Å; R113-D116 PolarHBondContact NH2-OD2 3.35Å; R113-R117 WeakPolarHBondContact O-CA 3.23Å; R113-R117 PolarHBondContact O-N 3.36Å; R113-A118 PolarHBondContact N-O 3.27Å; R113-M120 HydrophobicContact CB-CG 3.87Å; R113-M120 HydrophobicContact CB-SD 4.42Å
114S97.1Very high97.7Very high103 Ų10360.9 Ų60.972%0.7231%0.306SS*.THydrogen-bonded Turntrans-62.6-37.9-173.6-52.90000114N112N112-S114 PolarHBondContact O-N 2.94Å
115L96.4Very high97.7Very high166 Ų16660.7 Ų60.787%0.86931%0.305SS*.THydrogen-bonded Turntrans-67.6-55.4-173.6-179.764000113R113R113-L115 HydrophobicContact CG-CB 4.49Å; R113-L115 PolarHBondContact O-N 3.38Å
116D97.1Very high97.7Very high86 Ų8664.1 Ų64.146%0.4632%0.32SS..THydrogen-bonded Turntrans-116.64.4-170.465.7-12.8000113.1R113 A118R113-D116 IonicContact CZ-OD1 2.79Å; R113-D116 IonicContact CZ-OD2 2.65Å; R113-D116 IonicContact NE-OD1 2.7Å; R113-D116 PolarHBondContact NE-OD1 3.39Å; R113-D116 IonicContact NE-OD2 3.76Å; R113-D116 PolarHBondContact NE-OD2 2.86Å; R113-D116 IonicContact NH2-OD1 3.67Å; R113-D116 PolarHBondContact NH2-OD1 3.47Å; R113-D116 IonicContact NH2-OD2 2.79Å; R113-D116 PolarHBondContact NH2-OD2 3.35Å; D116-A118 PolarHBondContact O-N 3.18Å; D116-A118 VanDerWaalsContact OD1-CB 3.28Å; D116-A118 WeakPolarHBondContact OD1-CB 3.45Å; D116-A118 PolarHBondContact OD1-N 3.17Å; D116-A118 VanDerWaalsContact OD1-N 3.12Å; D116-A118 WeakPolarHBondContact OD2-CB 3.3Å
117R96.9Very high97.6Very high176 Ų17663.5 Ų63.566%0.66434%0.337SS*.  trans53.123.6-174.9-56.9-60.6-173.1171.21.3113.7N112 R113 K119N112-R117 PolarHBondContact ND2-O 3.01Å; R113-R117 WeakPolarHBondContact O-CA 3.23Å; R113-R117 PolarHBondContact O-N 3.36Å; R117-K119 PolarHBondContact O-N 3.49Å
118A97.4Very high97.6Very high23 Ų2362.7 Ų62.719%0.1933%0.334CS..  trans-61.9139.4177.500000110.8N112 R113 D116 M120N112-A118 VanDerWaalsContact CA-O 3.27Å; N112-A118 WeakPolarHBondContact CA-O 3.3Å; N112-A118 WeakPolarHBondContact CB-O 3.44Å; R113-A118 PolarHBondContact N-O 3.27Å; D116-A118 PolarHBondContact O-N 3.18Å; D116-A118 VanDerWaalsContact OD1-CB 3.28Å; D116-A118 WeakPolarHBondContact OD1-CB 3.45Å; D116-A118 PolarHBondContact OD1-N 3.17Å; D116-A118 VanDerWaalsContact OD1-N 3.12Å; D116-A118 WeakPolarHBondContact OD2-CB 3.3Å; A118-M120 HydrophobicContact CB-SD 4.45Å; A118-M120 WeakPolarHBondContact O-CG 3.43Å; A118-M120 PolarHBondContact O-N 3.33Å
119K98.3Very high97.5Very high92 Ų9266.8 Ų66.840%0.436%0.364SS..  trans-68.7117.7172.4-170.9-179-177.5177.20109P45 W46 Q109 R117P45-K119 CarbonylContact C-O 3.55Å; P45-K119 WeakPolarHBondContact CA-O 3.05Å; W46-K119 HydrophobicContact CB-CB 4.35Å; W46-K119 HydrophobicContact CB-CD 4.07Å; W46-K119 HydrophobicContact CB-CG 3.89Å; W46-K119 HydrophobicContact CD2-CD 4.44Å; W46-K119 HydrophobicContact CG-CD 4.11Å; W46-K119 HydrophobicContact CG-CG 4.36Å; W46-K119 PolarHBondContact N-O 3.34Å; Q109-K119 VanDerWaalsContact NE2-CE 3.28Å; R117-K119 PolarHBondContact O-N 3.49Å
120M98.4Very high97.5Very high15 Ų1564.4 Ų64.47%0.07436%0.355CS..EExtended strand (participates in β ladder)trans-109.5156-174.7-65.6-62.3-71.900111.6A44 P45 I110 R113 A118A44-M120 VanDerWaalsContact C-CE 3.46Å; P45-M120 HydrophobicContact CB-SD 4.41Å; P45-M120 HydrophobicContact CG-SD 4.06Å; I110-M120 HydrophobicContact CD1-CB 3.73Å; I110-M120 HydrophobicContact CG1-CB 3.49Å; I110-M120 VanDerWaalsContact CG1-CB 3.49Å; I110-M120 PolarHBondContact N-O 2.88Å; R113-M120 HydrophobicContact CB-CG 3.87Å; R113-M120 HydrophobicContact CB-SD 4.42Å; A118-M120 HydrophobicContact CB-SD 4.45Å; A118-M120 WeakPolarHBondContact O-CG 3.43Å; A118-M120 PolarHBondContact O-N 3.33Å
121A98.5Very high97.5Very high0 Ų067.2 Ų67.20%038%0.376CS..EExtended strand (participates in β ladder)trans-140.5148.1173.500000110.3E43 A44 W46 V49 M107 L108E43-A121 WeakPolarHBondContact CA-O 3.48Å; A44-A121 PolarHBondContact N-O 3.28Å; A44-A121 PolarHBondContact O-N 2.69Å; A44-A121 VanDerWaalsContact O-O 3.07Å; W46-A121 HydrophobicContact CB-CB 4.25Å; W46-A121 HydrophobicContact CG-CB 4.44Å; V49-A121 HydrophobicContact CB-CB 4.09Å; V49-A121 HydrophobicContact CG1-CB 4.11Å; V49-A121 HydrophobicContact CG2-CB 4.16Å; M107-A121 HydrophobicContact CG-CB 4.31Å; L108-A121 CarbonylContact O-C 3.6Å; L108-A121 VanDerWaalsContact O-CA 3.26Å; L108-A121 WeakPolarHBondContact O-CA 3.45Å; L108-A121 WeakPolarHBondContact O-CB 3.45Å
122V98.4Very high97.4Very high4 Ų467.4 Ų67.42%0.02438%0.377CS..EExtended strand (participates in β ladder)trans-100.8135.4166.863.50000108.4R41 I42 E43 M107 L108 I110 L133R41-V122 HydrophobicContact CG-CG2 3.59Å; I42-V122 WeakPolarHBondContact O-CA 3.29Å; E43-V122 HydrophobicContact CG-CB 4.26Å; E43-V122 HydrophobicContact CG-CG2 4.2Å; M107-V122 WeakPolarHBondContact CA-O 3.43Å; L108-V122 HydrophobicContact CB-CG1 3.82Å; L108-V122 PolarHBondContact N-O 3.4Å; L108-V122 PolarHBondContact O-N 3.13Å; I110-V122 HydrophobicContact CG2-CB 4.08Å; I110-V122 HydrophobicContact CG2-CG1 3.75Å; V122-L133 HydrophobicContact CG1-CD1 3.76Å; V122-L133 HydrophobicContact CG2-CD1 4.07Å
123I98.4Very high97.3Very high0 Ų065.6 Ų65.60%037%0.367CS..EExtended strand (participates in β ladder)trans-124.9137.5171.5-176.3168.2000109.4L36 R41 I42 V49 M52 R53 T105 R106L36-I123 HydrophobicContact CD1-CG2 4.27Å; L36-I123 HydrophobicContact CD2-CD1 4.24Å; L36-I123 HydrophobicContact CD2-CG1 4.33Å; L36-I123 HydrophobicContact CD2-CG2 4.47Å; R41-I123 VanDerWaalsContact CA-O 3.3Å; R41-I123 WeakPolarHBondContact CA-O 3.37Å; I42-I123 HydrophobicContact CD1-CG2 4.23Å; I42-I123 HydrophobicContact CG1-CG2 3.6Å; I42-I123 PolarHBondContact N-O 2.95Å; I42-I123 PolarHBondContact O-N 3.4Å; V49-I123 HydrophobicContact CG1-CB 3.55Å; V49-I123 HydrophobicContact CG1-CD1 4.1Å; V49-I123 HydrophobicContact CG1-CG1 4.39Å; V49-I123 HydrophobicContact CG1-CG2 3.64Å; V49-I123 HydrophobicContact CG2-CG2 4.47Å; M52-I123 HydrophobicContact CE-CD1 4.47Å; M52-I123 HydrophobicContact CE-CG2 3.8Å; R53-I123 HydrophobicContact CB-CD1 3.99Å; R53-I123 HydrophobicContact CG-CD1 3.99Å; T105-I123 HydrophobicContact CG2-CD1 4.2Å; T105-I123 HydrophobicContact CG2-CG1 4.45Å; R106-I123 VanDerWaalsContact O-CA 3.32Å; R106-I123 WeakPolarHBondContact O-CA 3.19Å
124E98.4Very high97.2Very high3 Ų366.7 Ų66.71%0.01439%0.388CS..EExtended strand (participates in β ladder)trans-139.8153.4179.566.3177.6-174.100112.4E40 R41 T105 R106 N128 L133E40-E124 CarbonylContact O-C 3.58Å; E40-E124 WeakPolarHBondContact O-CA 3.12Å; E40-E124 WeakPolarHBondContact O-CB 3.45Å; R41-E124 HydrophobicContact CB-CB 4.02Å; R41-E124 HydrophobicContact CG-CB 4.06Å; R41-E124 IonicContact CZ-OE2 3.38Å; R41-E124 IonicContact NE-OE2 3.55Å; R41-E124 PolarHBondContact NE-OE2 3.45Å; R41-E124 IonicContact NH2-OE2 3.41Å; R41-E124 PolarHBondContact NH2-OE2 3.49Å; T105-E124 CarbonylContact C-O 3.56Å; T105-E124 VanDerWaalsContact CA-O 3.27Å; T105-E124 WeakPolarHBondContact CA-O 3.39Å; R106-E124 HydrophobicContact CB-CG 3.91Å; R106-E124 IonicContact CZ-OE1 3.45Å; R106-E124 PolarHBondContact N-O 3.17Å; R106-E124 IonicContact NH1-OE1 2.74Å; R106-E124 PolarHBondContact NH1-OE1 2.74Å; R106-E124 PolarHBondContact O-N 3.2Å; E124-N128 PolarHBondContact OE2-ND2 3.29Å; E124-L133 HydrophobicContact CG-CD1 4.47Å
125Y98.5Very high97.1Very high0 Ų065 Ų650%037%0.37CS..EExtended strand (participates in β ladder)trans-78.9132.8165.1-86-48.6000110.2L36 V37 E40 I60 L93 Y97 T105 N128L36-Y125 HydrophobicContact CD1-CD2 4.38Å; L36-Y125 HydrophobicContact CD2-CE2 4.15Å; L36-Y125 HydrophobicContact CG-CD2 4.1Å; L36-Y125 HydrophobicContact CG-CE2 3.79Å; V37-Y125 HydrophobicContact CG2-CE2 4.1Å; E40-Y125 PolarHBondContact O-N 3.4Å; I60-Y125 HydrophobicContact CD1-CE1 3.88Å; I60-Y125 HydrophobicContact CG1-CE1 3.76Å; L93-Y125 HydrophobicContact CD1-CD2 4.38Å; L93-Y125 HydrophobicContact CD1-CE2 4.08Å; L93-Y125 HydrophobicContact CD2-CD2 4.43Å; Y97-Y125 HydrophobicContact CE2-CD1 4.16Å; Y97-Y125 WeakPolarHBondContact OH-CB 3.38Å; T105-Y125 HydrophobicContact CG2-CD1 4.04Å; T105-Y125 HydrophobicContact CG2-CE1 3.83Å; Y125-N128 VanDerWaalsContact O-CG 3.32Å; Y125-N128 PolarHBondContact O-ND2 2.87Å
126K97.6Very high97Very high74 Ų7462.5 Ų62.532%0.32236%0.363SS..THydrogen-bonded Turntrans-64.9142.1178.5-70.7177179.7171.30111.2Y97 G103 Y104 N128Y97-K126 HydrophobicContact CE1-CB 4.19Å; Y97-K126 WeakPolarHBondContact CE1-O 3.42Å; Y97-K126 PolarHBondContact OH-N 2.8Å; Y97-K126 VanDerWaalsContact OH-N 3.15Å; Y97-K126 PolarHBondContact OH-O 3.02Å; G103-K126 WeakPolarHBondContact O-CD 3.46Å; G103-K126 WeakPolarHBondContact O-CE 3.2Å; G103-K126 PolarHBondContact O-NZ 3.49Å; Y104-K126 PolarHBondContact O-N 3.12Å; K126-N128 VanDerWaalsContact C-N 3.31Å; K126-N128 PolarHBondContact O-N 3.42Å
127G95.4Very high96.8Very high65 Ų6569.6 Ų69.667%0.6738%0.384SS*.THydrogen-bonded Turntrans71.825.1179.100000113.7R96R96-G127 PolarHBondContact NH1-O 3.36Å
128N97Very high96.7Very high24 Ų2472.9 Ų72.913%0.12840%0.396CS..  trans-68.7161.1165.6604.1000111E40 E124 Y125 K126 L130E40-N128 HydrophobicContact CB-CB 3.8Å; E40-N128 PolarHBondContact O-ND2 3.36Å; E40-N128 WeakPolarHBondContact OE2-CA 3.26Å; E40-N128 WeakPolarHBondContact OE2-CB 3.47Å; E124-N128 PolarHBondContact OE2-ND2 3.29Å; Y125-N128 VanDerWaalsContact O-CG 3.32Å; Y125-N128 PolarHBondContact O-ND2 2.87Å; K126-N128 VanDerWaalsContact C-N 3.31Å; K126-N128 PolarHBondContact O-N 3.42Å; N128-L130 PolarHBondContact O-N 3.46Å
129C96.3Very high96.7Very high125 Ų12578 Ų7885%0.84542%0.421SS*.SBendtrans-84.816.4-179.358.20000114
130L96.9Very high96.6Very high68 Ų6876.9 Ų76.936%0.35642%0.424SS..SBendtrans-90.8157.2-177.2-63177.5000111.1R41 N128R41-L130 HydrophobicContact CB-CD1 3.54Å; R41-L130 HydrophobicContact CG-CD1 4.49Å; N128-L130 PolarHBondContact O-N 3.46Å
131P97.4Very high96.4Very high96 Ų9681 Ų8162%0.62344%0.443SS*.PPolyproline II helixtrans-52.6134.8171.6-2634.5000111R41 L133R41-P131 PolarHBondContact NH1-O 2.91Å; R41-P131 PolarHBondContact NH2-O 3.36Å; P131-L133 PolarHBondContact O-N 2.89Å
132P96.4Very high96.4Very high121 Ų12187.9 Ų87.979%0.78648%0.479SS*.PPolyproline II helixtrans-64.7137.4-176.326.4-34.1000110.5
133L95Very high96.3Very high36 Ų3689.9 Ų89.919%0.18849%0.491CS..PPolyproline II helixtrans-67.6150.3176-68.8175.3000111.1L108 V122 E124 P131 L135L108-L133 HydrophobicContact CD1-CB 4.11Å; L108-L133 HydrophobicContact CD1-CD1 3.99Å; V122-L133 HydrophobicContact CG1-CD1 3.76Å; V122-L133 HydrophobicContact CG2-CD1 4.07Å; E124-L133 HydrophobicContact CG-CD1 4.47Å; P131-L133 PolarHBondContact O-N 2.89Å; L133-L135 VanDerWaalsContact C-N 3.32Å; L133-L135 HydrophobicContact CB-CD2 4.31Å; L133-L135 WeakPolarHBondContact O-CG 3.35Å; L133-L135 PolarHBondContact O-N 3.35Å
134P95.2Very high96.3Very high124 Ų12496.4 Ų96.481%0.80553%0.526SS*.  trans-68.691.2172.429.2-34000109.7
135L94.6Very high96.3Very high68 Ų68101.6 Ų101.636%0.35655%0.553SS.*PPolyproline II helixtrans-73.3144.8178.5-55.1-175.2000110.5L108 L133 R137L108-L135 HydrophobicContact CD1-CD2 3.6Å; L133-L135 VanDerWaalsContact C-N 3.32Å; L133-L135 HydrophobicContact CB-CD2 4.31Å; L133-L135 WeakPolarHBondContact O-CG 3.35Å; L133-L135 PolarHBondContact O-N 3.35Å; L135-R137 PolarHBondContact O-N 3.17Å; L135-R137 VanDerWaalsContact O-N 3.12Å
136P94.1Very high96.3Very high112 Ų112103.6 Ų103.673%0.72756%0.564SS**PPolyproline II helixtrans-60119.7169.326.4-33.1000108.8
137R94.3Very high96.3Very high236 Ų236103.8 Ų103.889%0.89157%0.566SS**PPolyproline II helixtrans-87.8144.4178-63.9-175.1-179.8179.3-0.5109.2L135L135-R137 PolarHBondContact O-N 3.17Å; L135-R137 VanDerWaalsContact O-N 3.12Å
138R94.6Very high96.4Very high245 Ų245106.2 Ų106.293%0.92556%0.562SS**PPolyproline II helixtrans-76.5154.8168.5-67.8-175.2174.6149.5-1.9109.6
139D96.1Very high96.5Very high131 Ų131109.7 Ų109.770%0.70158%0.58SS**PPolyproline II helixtrans-59.1148.5174.1-64.6-24.3000111T143D139-T143 HydrophobicContact CB-CG2 4.11Å
140S96.6Very high96.6Very high68 Ų68107.2 Ų107.248%0.47656%0.556SS.*PPolyproline II helixtrans-63.3152.1179.678.90000111L142 T143 N146S140-L142 PolarHBondContact O-N 3.12Å; S140-L142 PolarHBondContact OG-N 3.04Å; S140-T143 WeakPolarHBondContact O-CG2 3.49Å; S140-T143 PolarHBondContact O-N 3.47Å; S140-T143 PolarHBondContact O-OG1 3.25Å; S140-T143 PolarHBondContact OG-N 2.95Å; S140-N146 PolarHBondContact O-ND2 2.87Å
141H95.5Very high96.6Very high102 Ų102105 Ų10547%0.47255%0.551SS.*THydrogen-bonded Turntrans-64.4-19.7172.5-161.9-60.7000112T143 N146 Q147 Q150H141-T143 VanDerWaalsContact C-N 3.26Å; H141-T143 PolarHBondContact O-N 3.38Å; H141-N146 WeakPolarHBondContact O-CB 3.36Å; H141-Q147 PolarHBondContact ND1-NE2 3.44Å; H141-Q147 VanDerWaalsContact ND1-NE2 3.13Å; H141-Q147 PolarHBondContact O-NE2 2.97Å; H141-Q150 PolarHBondContact CE1-OE1 3.13Å; H141-Q150 PolarHBondContact ND1-OE1 2.9Å
142L97Very high96.6Very high143 Ų143105.4 Ų105.475%0.74955%0.547SS*.THydrogen-bonded Turntrans-82.42-179.1-59.4175.6000113.5S140S140-L142 PolarHBondContact O-N 3.12Å; S140-L142 PolarHBondContact OG-N 3.04Å
143T97.9Very high96.7Very high47 Ų47109.3 Ų109.329%0.28855%0.546SS..SBendtrans-64.2146.6169.360.70000109.7D139 S140 H141 L145 N146 Q147D139-T143 HydrophobicContact CB-CG2 4.11Å; S140-T143 WeakPolarHBondContact O-CG2 3.49Å; S140-T143 PolarHBondContact O-N 3.47Å; S140-T143 PolarHBondContact O-OG1 3.25Å; S140-T143 PolarHBondContact OG-N 2.95Å; H141-T143 VanDerWaalsContact C-N 3.26Å; H141-T143 PolarHBondContact O-N 3.38Å; T143-L145 PolarHBondContact O-N 2.86Å; T143-N146 PolarHBondContact O-N 2.97Å; T143-N146 WeakPolarHBondContact OG1-CB 3.38Å; T143-N146 PolarHBondContact OG1-N 3.48Å; T143-N146 PolarHBondContact OG1-ND2 3.38Å; T143-Q147 PolarHBondContact O-N 2.94Å
144L97.4Very high96.9Very high137 Ų137112.1 Ų112.172%0.71756%0.558SS**Hα-helixtrans-51.6-45.4-179.5-179.164.6000111.5N146 Q147 L148L144-N146 PolarHBondContact O-N 3.32Å; L144-Q147 PolarHBondContact O-N 2.79Å; L144-L148 HydrophobicContact CD1-CD1 4.33Å; L144-L148 HydrophobicContact CD1-CG 4.5Å; L144-L148 HydrophobicContact CG-CD1 4.1Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.27Å; L144-L148 PolarHBondContact O-N 2.86Å
145L98.1Very high97Very high111 Ų111110.6 Ų110.658%0.58154%0.543SS*.Hα-helixtrans-60.2-47.6178.4-176.8149.9000112.2T143 Q147 L148 L149T143-L145 PolarHBondContact O-N 2.86Å; L145-Q147 VanDerWaalsContact C-N 3.35Å; L145-Q147 PolarHBondContact O-N 3.28Å; L145-L148 PolarHBondContact O-N 2.99Å; L145-L149 HydrophobicContact CD2-CD1 3.56Å; L145-L149 HydrophobicContact CD2-CG 4.22Å; L145-L149 WeakPolarHBondContact O-CG 2.91Å; L145-L149 PolarHBondContact O-N 3.46Å
146N98.1Very high97.1Very high43 Ų43110.7 Ų110.723%0.2355%0.546CS..Hα-helixtrans-69.3-33.2-177.5-71.6-24.3000112.3S140 H141 T143 L144 Q150S140-N146 PolarHBondContact O-ND2 2.87Å; H141-N146 WeakPolarHBondContact O-CB 3.36Å; T143-N146 PolarHBondContact O-N 2.97Å; T143-N146 WeakPolarHBondContact OG1-CB 3.38Å; T143-N146 PolarHBondContact OG1-N 3.48Å; T143-N146 PolarHBondContact OG1-ND2 3.38Å; L144-N146 PolarHBondContact O-N 3.32Å; N146-Q150 WeakPolarHBondContact O-CB 3.35Å; N146-Q150 PolarHBondContact O-N 3.26Å
147Q98.3Very high97.3Very high78 Ų78107.7 Ų107.736%0.36453%0.528SS..Hα-helixtrans-65.4-44.9172.9-71-61.6-49.200111.9H141 T143 L144 L145 L149 Q150 G151H141-Q147 PolarHBondContact ND1-NE2 3.44Å; H141-Q147 VanDerWaalsContact ND1-NE2 3.13Å; H141-Q147 PolarHBondContact O-NE2 2.97Å; T143-Q147 PolarHBondContact O-N 2.94Å; L144-Q147 PolarHBondContact O-N 2.79Å; L145-Q147 VanDerWaalsContact C-N 3.35Å; L145-Q147 PolarHBondContact O-N 3.28Å; Q147-L149 VanDerWaalsContact C-N 3.33Å; Q147-L149 PolarHBondContact O-N 3.37Å; Q147-Q150 PolarHBondContact O-N 3.31Å; Q147-Q150 VanDerWaalsContact O-N 3.17Å; Q147-G151 PolarHBondContact O-N 3.27Å
148L98.2Very high97.3Very high115 Ų115102.3 Ų102.360%0.60251%0.513SS*.Hα-helixtrans-62.1-41.6176.5-68.3170.8000111.7L144 L145 Q150 G151 L152L144-L148 HydrophobicContact CD1-CD1 4.33Å; L144-L148 HydrophobicContact CD1-CG 4.5Å; L144-L148 HydrophobicContact CG-CD1 4.1Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.27Å; L144-L148 PolarHBondContact O-N 2.86Å; L145-L148 PolarHBondContact O-N 2.99Å; L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 PolarHBondContact O-N 3.13Å; L148-G151 PolarHBondContact O-N 3.27Å; L148-L152 WeakPolarHBondContact O-CB 3.35Å; L148-L152 PolarHBondContact O-N 2.86Å
149L98.1Very high97.2Very high97 Ų9794.4 Ų94.451%0.50850%0.495SS..Hα-helixtrans-64.3-35.7174.8-70.8-179.8000112.6L145 Q147 R153L145-L149 HydrophobicContact CD2-CD1 3.56Å; L145-L149 HydrophobicContact CD2-CG 4.22Å; L145-L149 WeakPolarHBondContact O-CG 2.91Å; L145-L149 PolarHBondContact O-N 3.46Å; Q147-L149 VanDerWaalsContact C-N 3.33Å; Q147-L149 PolarHBondContact O-N 3.37Å; L149-R153 WeakPolarHBondContact O-CB 3.46Å; L149-R153 PolarHBondContact O-N 3.5Å
150Q97.9Very high97.1Very high73 Ų7393.6 Ų93.634%0.34149%0.487SS..Hα-helixtrans-68.5-43.5176.6179.4-179.921.100111.9H141 N146 Q147 L148 R153 Q154H141-Q150 PolarHBondContact CE1-OE1 3.13Å; H141-Q150 PolarHBondContact ND1-OE1 2.9Å; N146-Q150 WeakPolarHBondContact O-CB 3.35Å; N146-Q150 PolarHBondContact O-N 3.26Å; Q147-Q150 PolarHBondContact O-N 3.31Å; Q147-Q150 VanDerWaalsContact O-N 3.17Å; L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 PolarHBondContact O-N 3.13Å; Q150-R153 PolarHBondContact O-N 3Å; Q150-Q154 WeakPolarHBondContact O-CG 3.45Å; Q150-Q154 PolarHBondContact O-N 3.28Å
151G98.1Very high96.9Very high23 Ų2396 Ų9624%0.23749%0.491CS..Hα-helixtrans-58-49.7173.200000111.3Q147 L148 R153 Q154 D155Q147-G151 PolarHBondContact O-N 3.27Å; L148-G151 PolarHBondContact O-N 3.27Å; G151-R153 VanDerWaalsContact C-N 3.28Å; G151-R153 PolarHBondContact O-N 2.96Å; G151-Q154 WeakPolarHBondContact O-CB 2.95Å; G151-Q154 PolarHBondContact O-N 3.42Å; G151-D155 PolarHBondContact O-N 3.32Å
152L98.2Very high96.6Very high104 Ų10494.1 Ų94.155%0.54549%0.493SS..Hα-helixtrans-56.5-42.2176.4-177.168000112.4L148 Q154 D155 V156L148-L152 WeakPolarHBondContact O-CB 3.35Å; L148-L152 PolarHBondContact O-N 2.86Å; L152-Q154 VanDerWaalsContact C-N 3.31Å; L152-Q154 PolarHBondContact O-N 3.28Å; L152-D155 PolarHBondContact O-N 2.7Å; L152-V156 VanDerWaalsContact O-CG2 3.29Å; L152-V156 WeakPolarHBondContact O-CG2 3.5Å; L152-V156 PolarHBondContact O-N 2.69Å
153R97.9Very high95.9Very high203 Ų20390 Ų9077%0.76648%0.477SS*.Hα-helixtrans-63.5-37.7177.8-176.5178.1179.5179.10.1112.1L149 Q150 G151 S157L149-R153 WeakPolarHBondContact O-CB 3.46Å; L149-R153 PolarHBondContact O-N 3.5Å; Q150-R153 PolarHBondContact O-N 3Å; G151-R153 VanDerWaalsContact C-N 3.28Å; G151-R153 PolarHBondContact O-N 2.96Å; R153-S157 PolarHBondContact O-N 3.02Å; R153-S157 VanDerWaalsContact O-N 3.12Å
154Q97.9Very high95.2Very high95 Ų9592.6 Ų92.644%0.44449%0.489SS..Hα-helixtrans-67.2-46.4177.7-70.7166.4-11.500110.8Q150 G151 L152 V156 S157 Q158Q150-Q154 WeakPolarHBondContact O-CG 3.45Å; Q150-Q154 PolarHBondContact O-N 3.28Å; G151-Q154 WeakPolarHBondContact O-CB 2.95Å; G151-Q154 PolarHBondContact O-N 3.42Å; L152-Q154 VanDerWaalsContact C-N 3.31Å; L152-Q154 PolarHBondContact O-N 3.28Å; Q154-V156 VanDerWaalsContact C-N 3.31Å; Q154-V156 PolarHBondContact O-N 3.3Å; Q154-S157 WeakPolarHBondContact O-CB 3.31Å; Q154-S157 PolarHBondContact O-N 2.99Å; Q154-S157 VanDerWaalsContact O-N 3.15Å; Q154-Q158 WeakPolarHBondContact O-CG 3.49Å; Q154-Q158 PolarHBondContact O-N 3.41Å
155D98.1Very high94.3Very high92 Ų9292.8 Ų92.849%0.49249%0.486SS..Hα-helixtrans-60.9-41.2179.5-63.5-17.2000111.7G151 L152 S159G151-D155 PolarHBondContact O-N 3.32Å; L152-D155 PolarHBondContact O-N 2.7Å; D155-S159 WeakPolarHBondContact O-CB 3.18Å; D155-S159 PolarHBondContact O-N 3.06Å; D155-S159 PolarHBondContact O-OG 3.07Å
156V97.8Very high93Very high69 Ų6991.3 Ų91.342%0.41848%0.484SS..Hα-helixtrans-64.3-42.9175.3171.60000111.6L152 Q154 S159 Q160L152-V156 VanDerWaalsContact O-CG2 3.29Å; L152-V156 WeakPolarHBondContact O-CG2 3.5Å; L152-V156 PolarHBondContact O-N 2.69Å; Q154-V156 VanDerWaalsContact C-N 3.31Å; Q154-V156 PolarHBondContact O-N 3.3Å; V156-S159 PolarHBondContact O-N 2.98Å; V156-Q160 WeakPolarHBondContact O-CG 3.48Å; V156-Q160 PolarHBondContact O-N 3.33Å
157S96.4Very high91.5Very high50 Ų5092.4 Ų92.435%0.3550%0.496SS..Hα-helixtrans-62.8-47.5177.8-163.10000111.3R153 Q154 S159 Q160 E161R153-S157 PolarHBondContact O-N 3.02Å; R153-S157 VanDerWaalsContact O-N 3.12Å; Q154-S157 WeakPolarHBondContact O-CB 3.31Å; Q154-S157 PolarHBondContact O-N 2.99Å; Q154-S157 VanDerWaalsContact O-N 3.15Å; S157-S159 VanDerWaalsContact C-N 3.32Å; S157-S159 PolarHBondContact O-N 2.99Å; S157-Q160 PolarHBondContact O-N 3.4Å; S157-E161 WeakPolarHBondContact O-CG 3.47Å; S157-E161 PolarHBondContact O-N 2.89Å; S157-E161 PolarHBondContact OG-OE1 3Å
158Q95.3Very high89.7Confident122 Ų12295.3 Ų95.357%0.5751%0.509SS*.Hα-helixtrans-62-40.6179.1-70.717711.700111.6Q154 E161 A162Q154-Q158 WeakPolarHBondContact O-CG 3.49Å; Q154-Q158 PolarHBondContact O-N 3.41Å; Q158-E161 PolarHBondContact O-N 2.62Å; Q158-A162 WeakPolarHBondContact O-CB 3.42Å; Q158-A162 PolarHBondContact O-N 2.84Å
159S93.1Very high87.8Confident79 Ų7994.5 Ų94.555%0.55251%0.509SS*.Hα-helixtrans-63.7-41.1176.5-59.60000112.1D155 V156 S157 S163D155-S159 WeakPolarHBondContact O-CB 3.18Å; D155-S159 PolarHBondContact O-N 3.06Å; D155-S159 PolarHBondContact O-OG 3.07Å; V156-S159 PolarHBondContact O-N 2.98Å; S157-S159 VanDerWaalsContact C-N 3.32Å; S157-S159 PolarHBondContact O-N 2.99Å; S159-S163 PolarHBondContact O-N 2.98Å; S159-S163 PolarHBondContact O-OG 3.25Å
160Q92.3Very high85.8Confident114 Ų11493 Ų9353%0.53352%0.517SS..Hα-helixtrans-65.8-45175.9-77.1171.6-1600111.7V156 S157 A162 S163 N164V156-Q160 WeakPolarHBondContact O-CG 3.48Å; V156-Q160 PolarHBondContact O-N 3.33Å; S157-Q160 PolarHBondContact O-N 3.4Å; Q160-A162 PolarHBondContact O-N 3.13Å; Q160-S163 PolarHBondContact O-N 3.49Å; Q160-S163 PolarHBondContact O-OG 3.38Å; Q160-N164 VanDerWaalsContact O-CG 3.29Å; Q160-N164 PolarHBondContact O-N 2.95Å; Q160-N164 PolarHBondContact O-ND2 3.37Å
161E92.7Very high83.9Confident118 Ų11896.8 Ų96.855%0.55153%0.534SS*.Hα-helixtrans-60-44.5175.8-72.9167.7-150.400111.8S157 Q158 S163 N164 H165S157-E161 WeakPolarHBondContact O-CG 3.47Å; S157-E161 PolarHBondContact O-N 2.89Å; S157-E161 PolarHBondContact OG-OE1 3Å; Q158-E161 PolarHBondContact O-N 2.62Å; E161-S163 PolarHBondContact O-N 3.01Å; E161-N164 PolarHBondContact O-N 3.46Å; E161-H165 WeakPolarHBondContact O-CB 3.21Å; E161-H165 PolarHBondContact O-N 3.42Å
162A89.1Confident81.9Confident63 Ų63100.8 Ų100.852%0.52156%0.555SS.*Hα-helixtrans-60.7-43.217600000112.2Q158 Q160 H165 S166Q158-A162 WeakPolarHBondContact O-CB 3.42Å; Q158-A162 PolarHBondContact O-N 2.84Å; Q160-A162 PolarHBondContact O-N 3.13Å; A162-H165 PolarHBondContact O-N 3.34Å; A162-S166 PolarHBondContact O-N 3.16Å; A162-S166 VanDerWaalsContact O-N 3.12Å
163S82.3Confident79.9Confident58 Ų58101.3 Ų101.341%0.40656%0.564SS.*Hα-helixtrans-63.7-44.4175.669.70000112.5S159 Q160 E161 H165 S166 S167S159-S163 PolarHBondContact O-N 2.98Å; S159-S163 PolarHBondContact O-OG 3.25Å; Q160-S163 PolarHBondContact O-N 3.49Å; Q160-S163 PolarHBondContact O-OG 3.38Å; E161-S163 PolarHBondContact O-N 3.01Å; S163-H165 VanDerWaalsContact C-N 3.31Å; S163-H165 PolarHBondContact O-N 3.44Å; S163-S166 PolarHBondContact O-N 3Å; S163-S166 PolarHBondContact O-OG 3.25Å; S163-S167 PolarHBondContact O-N 2.93Å; S163-S167 VanDerWaalsContact O-N 3.14Å; S163-S167 PolarHBondContact O-OG 3.4Å
164N84.9Confident78.1Confident100 Ų100103.4 Ų103.454%0.53557%0.572SS.*Hα-helixtrans-64-36.8178.4-70.8-18.3000111.9Q160 E161 S167 H168Q160-N164 VanDerWaalsContact O-CG 3.29Å; Q160-N164 PolarHBondContact O-N 2.95Å; Q160-N164 PolarHBondContact O-ND2 3.37Å; E161-N164 PolarHBondContact O-N 3.46Å; N164-S167 WeakPolarHBondContact CA-OG 3.47Å; N164-S167 PolarHBondContact O-N 3.4Å; N164-S167 PolarHBondContact O-OG 3.13Å; N164-H168 PolarHBondContact O-N 2.95Å
165H77.4Confident76Confident142 Ų142110 Ų11066%0.65761%0.608SS**Hα-helixtrans-65.7-43176.6-142.853.4000111.6E161 A162 S163 S167 H168 T169E161-H165 WeakPolarHBondContact O-CB 3.21Å; E161-H165 PolarHBondContact O-N 3.42Å; A162-H165 PolarHBondContact O-N 3.34Å; S163-H165 VanDerWaalsContact C-N 3.31Å; S163-H165 PolarHBondContact O-N 3.44Å; H165-S167 VanDerWaalsContact C-N 3.35Å; H165-S167 PolarHBondContact O-N 3.36Å; H165-H168 PolarHBondContact O-N 2.76Å; H165-T169 PolarHBondContact O-N 3.25Å; H165-T169 PolarHBondContact O-OG1 2.83Å
166S71.1Confident74.9Confident79 Ų79111 Ų11155%0.55261%0.614SS**Hα-helixtrans-62.9-36.8177.272.60000113.4A162 S163 T169A162-S166 PolarHBondContact O-N 3.16Å; A162-S166 VanDerWaalsContact O-N 3.12Å; S163-S166 PolarHBondContact O-N 3Å; S163-S166 PolarHBondContact O-OG 3.25Å; S166-T169 PolarHBondContact O-OG1 3.17Å
167S65.9Low73.7Confident67 Ų67113.2 Ų113.247%0.46962%0.624SS.*Hα-helixtrans-68.4-32.4174.951.10000113.8S163 N164 H165 G170S163-S167 PolarHBondContact O-N 2.93Å; S163-S167 VanDerWaalsContact O-N 3.14Å; S163-S167 PolarHBondContact O-OG 3.4Å; N164-S167 WeakPolarHBondContact CA-OG 3.47Å; N164-S167 PolarHBondContact O-N 3.4Å; N164-S167 PolarHBondContact O-OG 3.13Å; H165-S167 VanDerWaalsContact C-N 3.35Å; H165-S167 PolarHBondContact O-N 3.36Å; S167-G170 PolarHBondContact O-N 3.46Å
168H60.3Low72.5Confident139 Ų139116.7 Ų116.764%0.64464%0.64SS**Hα-helixtrans-73.8-36.9178.4-105.6-50.7000112.7N164 H165 G170 Q171N164-H168 PolarHBondContact O-N 2.95Å; H165-H168 PolarHBondContact O-N 2.76Å; H168-G170 PolarHBondContact O-N 3.46Å; H168-Q171 PolarHBondContact O-N 3.05Å
169T60.1Low71.1Confident98 Ų98116.4 Ų116.460%0.60164%0.644SS**Hα-helixtrans-68-17.9175.642.30000113.8H165 S166H165-T169 PolarHBondContact O-N 3.25Å; H165-T169 PolarHBondContact O-OG1 2.83Å; S166-T169 PolarHBondContact O-OG1 3.17Å
170G56.2Low69.8Low65 Ų65118.7 Ų118.767%0.6765%0.649SS**THydrogen-bonded Turntrans-82.2-9.1175.800000115.4S167 H168S167-G170 PolarHBondContact O-N 3.46Å; H168-G170 PolarHBondContact O-N 3.46Å
171Q56.1Low68.3Low152 Ų152119 Ų11971%0.7166%0.657SS**THydrogen-bonded Turntrans-104.518.3-174.8-73.2-174.4-8.100114.5H168 P173H168-Q171 PolarHBondContact O-N 3.05Å; Q171-P173 WeakPolarHBondContact O-CD 3.43Å
172T57Low66.5Low108 Ų108119.1 Ų119.166%0.66367%0.665SS**  trans-65.5118.9167.742.40000109.3R174T172-R174 PolarHBondContact O-N 3.34Å; T172-R174 VanDerWaalsContact O-N 3.13Å
173P56.3Low64.8Low115 Ų115123.4 Ų123.475%0.74768%0.676SS**  trans-63.3119.7178.325.1-30.9000108.3Q171 I175Q171-P173 WeakPolarHBondContact O-CD 3.43Å; P173-I175 PolarHBondContact O-N 3.21Å; P173-I175 VanDerWaalsContact O-N 3.16Å
174R59Low63.3Low246 Ų246128.8 Ų128.893%0.92870%0.698SS**  trans-66112.6166.8-71.9-174.8176.6-170.1-0.8106.8T172T172-R174 PolarHBondContact O-N 3.34Å; T172-R174 VanDerWaalsContact O-N 3.13Å
175I55.5Low61.4Low235 Ų235131.5 Ų131.5100%1.20571%0.713SS**  trans-66.60169.6-58.9174.6000108.7P173P173-I175 PolarHBondContact O-N 3.21Å; P173-I175 VanDerWaalsContact O-N 3.16Å

Retrieved 175 of 175 residues in 151.6 ms (Link to these results)

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