A0A3Q0KE90_SCHMA Loading...

Large ribosomal subunit protein mL43

AlphaFold DB , UniProt , Accession A0A3Q0KE90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 aa.

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

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
1M52.5Low79.8Confident229 Ų22999.2 Ų99.2100%1.12855%0.549SS*.  0130.10-65.8-160.1-172.800108.3
2S68.5Low80.2Confident80 Ų8099.6 Ų99.656%0.55954%0.537SS*.  trans-69.2148.8-176.460.10000111.3N4 V5S2-N4 PolarHBondContact O-N 3.48Å; S2-V5 PolarHBondContact O-N 3.42Å
3G68.3Low80.4Confident38 Ų3895.8 Ų95.839%0.39253%0.528SS..THydrogen-bonded Turntrans-65.111-178.800000115.7R8G3-R8 PolarHBondContact O-NE 3.31Å; G3-R8 VanDerWaalsContact O-NE 3.13Å; G3-R8 PolarHBondContact O-NH2 2.74Å
4N78.3Confident80.3Confident135 Ų13589.6 Ų89.672%0.72249%0.494SS*.THydrogen-bonded Turntrans-99.9-13178.8-65.5-9.2000112.9S2 R8S2-N4 PolarHBondContact O-N 3.48Å; N4-R8 PolarHBondContact OD1-NH2 3.42Å
5V87.1Confident79.6Confident102 Ų10291.1 Ų91.162%0.61849%0.49SS*.SBendtrans-83-30.8-179-177.30000112S2S2-V5 PolarHBondContact O-N 3.42Å
6L85.6Confident78.7Confident106 Ų10686.3 Ų86.356%0.55547%0.469SS*.SBendtrans-90.1142.7-179.2-62177.4000110.9
7P86.9Confident78Confident75 Ų7584.2 Ų84.249%0.48746%0.46SS..PPolyproline II helixtrans-60.6141.2171.828-34.7000109.7F127P7-F127 HydrophobicContact CG-CD1 4.11Å; P7-F127 HydrophobicContact CG-CD2 4.46Å; P7-F127 HydrophobicContact CG-CE1 3.95Å; P7-F127 HydrophobicContact CG-CE2 4.29Å; P7-F127 HydrophobicContact CG-CG 4.39Å; P7-F127 HydrophobicContact CG-CZ 4.04Å
8R88.4Confident77.3Confident127 Ų12785.7 Ų85.748%0.47947%0.472SS..PPolyproline II helixtrans-101.7141.2175.4-60.7-171.3-177.8-166.98.1110.3G3 N4 P128G3-R8 PolarHBondContact O-NE 3.31Å; G3-R8 VanDerWaalsContact O-NE 3.13Å; G3-R8 PolarHBondContact O-NH2 2.74Å; N4-R8 PolarHBondContact OD1-NH2 3.42Å; R8-P128 CarbonylContact C-O 3.54Å; R8-P128 VanDerWaalsContact CA-O 3.27Å; R8-P128 WeakPolarHBondContact CA-O 3.48Å; R8-P128 HydrophobicContact CG-CB 4.48Å
9A86.5Confident76.8Confident22 Ų2285.9 Ų85.918%0.18248%0.476CS..BIsolated β-bridgetrans-97.6151.4173.800000110.6F127 P128 I129 Y130A9-F127 HydrophobicContact CB-CB 4.12Å; A9-P128 PolarHBondContact N-O 2.97Å; A9-I129 CarbonylContact O-C 3.58Å; A9-I129 WeakPolarHBondContact O-CA 3.27Å; A9-Y130 PolarHBondContact O-N 3.41Å
10I87.1Confident77Confident105 Ų10592 Ų9254%0.53850%0.501SS..PPolyproline II helixtrans-93.5144.2165.1-62.1172.6000107.2Y12I10-Y12 WeakPolarHBondContact O-CD1 3.09Å; I10-Y12 PolarHBondContact O-N 3.2Å
11L88.6Confident77.4Confident72 Ų7296.9 Ų96.938%0.37751%0.512SS..PPolyproline II helixtrans-65.4127.3173.7-176.665.9000109.9I129 K131 Y132 S134L11-I129 HydrophobicContact CB-CG2 4.25Å; L11-K131 WeakPolarHBondContact CB-O 3.27Å; L11-Y132 VanDerWaalsContact CD2-O 3.22Å; L11-Y132 WeakPolarHBondContact CD2-O 3.41Å; L11-S134 WeakPolarHBondContact O-CB 3.23Å; L11-S134 PolarHBondContact O-OG 3.08Å; L11-S134 VanDerWaalsContact O-OG 3.05Å
12Y84.7Confident79Confident104 Ų10493.2 Ų93.241%0.40849%0.49SS..  trans-145.5150.2170.868.3-86000109.8I10 F82 V124I10-Y12 WeakPolarHBondContact O-CD1 3.09Å; I10-Y12 PolarHBondContact O-N 3.2Å; Y12-F82 AromaticContact CE2-CD1 3.76Å; Y12-F82 HydrophobicContact CE2-CD1 3.76Å; Y12-F82 AromaticContact CE2-CE1 3.72Å; Y12-F82 HydrophobicContact CE2-CE1 3.72Å; Y12-V124 HydrophobicContact CE1-CG1 4.08Å; Y12-V124 HydrophobicContact CE2-CG2 4.28Å
13A82.4Confident79.8Confident51 Ų5191.2 Ų91.242%0.42147%0.474SS..PPolyproline II helixtrans-83.4142.5174.400000111T18A13-T18 HydrophobicContact CB-CG2 3.35Å
14V79.8Confident80.8Confident9 Ų991.9 Ų91.96%0.05547%0.472CS..PPolyproline II helixtrans-66146.4171.4-166.50000109.7G16 T17 Q25 F82V14-G16 PolarHBondContact O-N 3.13Å; V14-T17 HydrophobicContact CB-CG2 4.1Å; V14-T17 HydrophobicContact CG2-CG2 4.34Å; V14-T17 PolarHBondContact O-N 3.17Å; V14-T17 PolarHBondContact O-OG1 3.42Å; V14-Q25 HydrophobicContact CB-CG 4.47Å; V14-Q25 VanDerWaalsContact CG1-CD 3.49Å; V14-Q25 HydrophobicContact CG1-CG 4.27Å; V14-Q25 VanDerWaalsContact CG1-OE1 3.24Å; V14-Q25 HydrophobicContact CG2-CG 4.24Å; V14-F82 VanDerWaalsContact CA-CE1 3.45Å; V14-F82 HydrophobicContact CB-CD1 4Å; V14-F82 HydrophobicContact CB-CE1 3.27Å; V14-F82 HydrophobicContact CB-CZ 3.71Å; V14-F82 HydrophobicContact CG1-CD1 3.41Å; V14-F82 VanDerWaalsContact CG1-CD1 3.41Å; V14-F82 HydrophobicContact CG1-CD2 4.36Å; V14-F82 HydrophobicContact CG1-CE1 3.03Å; V14-F82 HydrophobicContact CG1-CE2 3.99Å; V14-F82 HydrophobicContact CG1-CG 4.08Å; V14-F82 HydrophobicContact CG1-CZ 3.31Å; V14-F82 HydrophobicContact CG2-CD1 4.35Å; V14-F82 HydrophobicContact CG2-CE1 3.21Å; V14-F82 HydrophobicContact CG2-CE2 4.49Å; V14-F82 HydrophobicContact CG2-CZ 3.26Å
15Y69.9Low81.4Confident111 Ų11185.9 Ų85.944%0.43544%0.44SS..THydrogen-bonded Turntrans-53.7134.9167.7-81.6-70000111.8Q25 R80 E83 Y84Y15-Q25 PolarHBondContact O-NE2 3.22Å; Y15-R80 PolarHBondContact O-NH2 3.4Å; Y15-E83 WeakPolarHBondContact CE2-O 3.44Å; Y15-Y84 AromaticContact CD2-CD2 3.91Å; Y15-Y84 HydrophobicContact CD2-CD2 3.91Å; Y15-Y84 AromaticContact CD2-CE2 3.51Å; Y15-Y84 HydrophobicContact CD2-CE2 3.51Å; Y15-Y84 HydrophobicContact CE1-CE2 4.34Å; Y15-Y84 WeakPolarHBondContact CE1-OH 3.43Å; Y15-Y84 HydrophobicContact CE2-CD1 4.07Å; Y15-Y84 AromaticContact CE2-CD2 3.34Å; Y15-Y84 HydrophobicContact CE2-CD2 3.34Å; Y15-Y84 AromaticContact CE2-CE1 3.69Å; Y15-Y84 HydrophobicContact CE2-CE1 3.69Å; Y15-Y84 AromaticContact CE2-CE2 2.87Å; Y15-Y84 HydrophobicContact CE2-CE2 2.87Å; Y15-Y84 AromaticContact CE2-CG 3.92Å; Y15-Y84 HydrophobicContact CE2-CG 3.92Å; Y15-Y84 AromaticContact CE2-CZ 3.08Å; Y15-Y84 WeakPolarHBondContact CE2-OH 3.39Å; Y15-Y84 HydrophobicContact CG-CE2 4.48Å; Y15-Y84 AromaticContact CZ-CE1 3.6Å; Y15-Y84 AromaticContact CZ-CE2 3.41Å; Y15-Y84 VanDerWaalsContact CZ-CE2 3.41Å; Y15-Y84 AromaticContact CZ-CZ 3.05Å; Y15-Y84 WeakPolarHBondContact OH-CE1 3.23Å; Y15-Y84 PolarHBondContact OH-OH 3.34Å
16G64.9Low81.6Confident15 Ų1581.1 Ų81.116%0.15541%0.411CS..THydrogen-bonded Turntrans81.84.2179.400000115.7V14 R21 V23V14-G16 PolarHBondContact O-N 3.13Å; G16-R21 VanDerWaalsContact O-O 3.05Å; G16-V23 PolarHBondContact O-N 3.17Å
17T66.4Low81.9Confident51 Ų5180.3 Ų80.331%0.31340%0.404SS..THydrogen-bonded Turntrans-93.5-25.716762.70000112.8V14 Q25V14-T17 HydrophobicContact CB-CG2 4.1Å; V14-T17 HydrophobicContact CG2-CG2 4.34Å; V14-T17 PolarHBondContact O-N 3.17Å; V14-T17 PolarHBondContact O-OG1 3.42Å; T17-Q25 HydrophobicContact CG2-CG 4.42Å
18T66.2Low82.3Confident110 Ų11080 Ų8068%0.67539%0.393SS*.SBendtrans-104.84.2-177.560.30000113.6A13A13-T18 HydrophobicContact CB-CG2 3.35Å
19T68.2Low82.6Confident90 Ų9074 Ų7455%0.55237%0.371SS*.SBendtrans-85.7168.8173.2-48.10000108.9R21T19-R21 PolarHBondContact O-N 3.49Å
20Q79.5Confident83.1Confident208 Ų20873.3 Ų73.397%0.97236%0.364SS*.SBendtrans-48.8-23.5-179.6-66.4174.4-9.100115.3
21R85Confident83.6Confident194 Ų19468.4 Ų68.473%0.73234%0.339SS*.SBendtrans-121.1138.2176.368.1-173.4-177.2-161.20.7111.2G16 T19 V23G16-R21 VanDerWaalsContact O-O 3.05Å; T19-R21 PolarHBondContact O-N 3.49Å; R21-V23 HydrophobicContact CG-CG2 4.34Å
22F87.1Confident83.9Confident153 Ų15367.3 Ų67.367%0.67133%0.331SS*.  trans-75.4133.2169.3172.3-103.9000110.2P24F22-P24 HydrophobicContact CE1-CG 4.02Å
23V85.9Confident84.4Confident37 Ų3762.9 Ų62.922%0.22432%0.315CS..  trans-119.8124.1172.1-172.80000109.7G16 R21 Q25 R80G16-V23 PolarHBondContact O-N 3.17Å; R21-V23 HydrophobicContact CG-CG2 4.34Å; V23-Q25 PolarHBondContact O-NE2 2.94Å; V23-R80 VanDerWaalsContact CG1-NH1 3.31Å
24P88.6Confident85.1Confident53 Ų5360.6 Ų60.634%0.34430%0.297SS..  trans-56.6138172.5-24.233.7000111.4F22 A60F22-P24 HydrophobicContact CE1-CG 4.02Å; P24-A60 HydrophobicContact CB-CB 4.49Å; P24-A60 HydrophobicContact CG-CB 4.19Å
25Q89.7Confident85.8Confident8 Ų867.2 Ų67.24%0.03733%0.325CS..  trans-93.4-25.6-177.1-56.8-58.7-29.200112.8V14 Y15 T17 V23 Q27 Y79 R80V14-Q25 HydrophobicContact CB-CG 4.47Å; V14-Q25 VanDerWaalsContact CG1-CD 3.49Å; V14-Q25 HydrophobicContact CG1-CG 4.27Å; V14-Q25 VanDerWaalsContact CG1-OE1 3.24Å; V14-Q25 HydrophobicContact CG2-CG 4.24Å; Y15-Q25 PolarHBondContact O-NE2 3.22Å; T17-Q25 HydrophobicContact CG2-CG 4.42Å; V23-Q25 PolarHBondContact O-NE2 2.94Å; Q25-Q27 PolarHBondContact O-N 2.86Å; Q25-Y79 HydrophobicContact CB-CD1 4.27Å; Q25-Y79 CarbonylContact O-C 3.55Å; Q25-Y79 WeakPolarHBondContact O-CA 3.38Å; Q25-R80 PolarHBondContact O-N 2.85Å
26L92.3Very high86.9Confident3 Ų370.3 Ų70.32%0.01634%0.341CS..EExtended strand (participates in β ladder)trans-68118.1172.9-176.765.8000109T61 A77 Y79 R119L26-T61 HydrophobicContact CD2-CG2 3.79Å; L26-T61 HydrophobicContact CG-CG2 3.85Å; L26-T61 PolarHBondContact O-OG1 2.96Å; L26-A77 HydrophobicContact CD1-CB 3.64Å; L26-Y79 HydrophobicContact CB-CD1 4.45Å; L26-Y79 HydrophobicContact CB-CE1 4.26Å; L26-Y79 HydrophobicContact CD1-CD1 4.46Å; L26-Y79 HydrophobicContact CD1-CE1 4.11Å; L26-R119 HydrophobicContact CD2-CB 4.26Å
27Q91.8Very high88.2Confident88 Ų8872.7 Ų72.741%0.41135%0.345SS..EExtended strand (participates in β ladder)trans-97.5-46.3-179.8-172.1-175.7-3.400111Q25 A62 E78Q25-Q27 PolarHBondContact O-N 2.86Å; Q27-A62 PolarHBondContact O-N 3.09Å; Q27-E78 PolarHBondContact N-O 2.9Å
28R94.8Very high89.6Confident68 Ų6879.7 Ų79.726%0.25737%0.365SS..EExtended strand (participates in β ladder)trans-137.9142-178.2-54.3-171.1-80.4-135.1-5.5110.8A62 Y64 E78R28-A62 CarbonylContact C-O 3.57Å; R28-A62 VanDerWaalsContact CA-O 3.23Å; R28-A62 WeakPolarHBondContact CA-O 3.18Å; R28-A62 HydrophobicContact CG-CB 4.2Å; R28-Y64 HydrophobicContact CG-CE2 4.45Å; R28-E78 HydrophobicContact CB-CB 4.22Å; R28-E78 IonicContact CZ-OE2 3.1Å; R28-E78 PolarHBondContact N-O 3.21Å; R28-E78 IonicContact NE-OE2 2.72Å; R28-E78 PolarHBondContact NE-OE2 3.39Å; R28-E78 IonicContact NH2-OE2 2.66Å; R28-E78 PolarHBondContact NH2-OE2 3.23Å; R28-E78 PolarHBondContact O-N 2.72Å
29I95.7Very high90.9Very high3 Ų376 Ų762%0.01534%0.341CS..EExtended strand (participates in β ladder)trans-125127.3167.1-166.8169.2000109.2L31 T61 A62 I63 Y64 V76 I115 L118I29-L31 HydrophobicContact CD1-CD2 4.48Å; I29-L31 HydrophobicContact CG1-CD2 4.41Å; I29-T61 HydrophobicContact CG2-CG2 4.12Å; I29-A62 PolarHBondContact N-O 3.32Å; I29-I63 HydrophobicContact CG2-CB 4.17Å; I29-I63 HydrophobicContact CG2-CG1 3.73Å; I29-I63 HydrophobicContact CG2-CG2 4.11Å; I29-I63 WeakPolarHBondContact O-CA 3.43Å; I29-Y64 PolarHBondContact O-N 3.47Å; I29-V76 CarbonylContact C-O 3.52Å; I29-V76 WeakPolarHBondContact CA-O 3.31Å; I29-I115 HydrophobicContact CD1-CG1 4.01Å; I29-I115 HydrophobicContact CD1-CG2 4.12Å; I29-L118 HydrophobicContact CD1-CD1 4.27Å
30T96.8Very high92.2Very high7 Ų771.7 Ų71.74%0.04332%0.315CS..EExtended strand (participates in β ladder)trans-112.9115.2176.5-56.40000109.7K32 Y64 K66 V76T30-K32 HydrophobicContact CG2-CG 4.01Å; T30-Y64 CarbonylContact C-O 3.55Å; T30-Y64 VanDerWaalsContact CA-O 3.31Å; T30-Y64 WeakPolarHBondContact CA-O 3.45Å; T30-K66 HydrophobicContact CG2-CB 4.19Å; T30-K66 HydrophobicContact CG2-CD 3.75Å; T30-K66 HydrophobicContact CG2-CG 3.84Å; T30-V76 PolarHBondContact N-O 2.66Å; T30-V76 PolarHBondContact O-N 3.09Å
31L96.9Very high92.9Very high2 Ų266.1 Ų66.11%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-88113171.9-53.6-177.5000108.6I29 Y46 I47 L51 Y64 V65 K66 L75 I115I29-L31 HydrophobicContact CD1-CD2 4.48Å; I29-L31 HydrophobicContact CG1-CD2 4.41Å; L31-Y46 HydrophobicContact CD1-CD1 4.47Å; L31-I47 HydrophobicContact CD1-CD1 4.38Å; L31-I47 HydrophobicContact CD1-CG1 3.85Å; L31-L51 HydrophobicContact CD1-CD1 3.47Å; L31-L51 VanDerWaalsContact CD1-CD1 3.47Å; L31-L51 HydrophobicContact CD1-CD2 4.35Å; L31-Y64 PolarHBondContact N-O 3.36Å; L31-V65 HydrophobicContact CD1-CG2 4.47Å; L31-K66 PolarHBondContact O-N 2.91Å; L31-L75 HydrophobicContact CD2-CD2 3.27Å; L31-I115 HydrophobicContact CD2-CD1 4.12Å
32K96.4Very high93.5Very high48 Ų4857.1 Ų57.121%0.20926%0.257CS..EExtended strand (participates in β ladder)trans-104.9117.1174.2-65171.1-178.7176.80108.3T30 K66 R68 P73 L74 V76T30-K32 HydrophobicContact CG2-CG 4.01Å; K32-K66 WeakPolarHBondContact CA-O 3.37Å; K32-K66 HydrophobicContact CG-CB 4.17Å; K32-R68 HydrophobicContact CB-CG 4.42Å; K32-P73 CarbonylContact O-C 3.55Å; K32-P73 WeakPolarHBondContact O-CA 3.31Å; K32-L74 HydrophobicContact CB-CB 4.24Å; K32-L74 WeakPolarHBondContact CB-O 3.48Å; K32-L74 HydrophobicContact CD-CB 4.48Å; K32-L74 HydrophobicContact CD-CD2 4.24Å; K32-L74 PolarHBondContact N-O 3.37Å; K32-L74 PolarHBondContact O-N 2.91Å; K32-V76 HydrophobicContact CD-CG2 4.2Å
33C95.2Very high94Very high11 Ų1149.9 Ų49.97%0.07423%0.226CC..EExtended strand (participates in β ladder)trans-139.6157.8-179.860.60000111.4V43 I47 K66 P67 R68C33-V43 HydrophobicContact CB-CB 4.3Å; C33-V43 HydrophobicContact CB-CG1 3.79Å; C33-I47 VanDerWaalsContact SG-CD1 3.59Å; C33-K66 PolarHBondContact N-O 2.93Å; C33-P67 CarbonylContact O-C 3.49Å; C33-P67 WeakPolarHBondContact O-CA 3.45Å; C33-R68 PolarHBondContact O-N 2.89Å
34C95.2Very high94.4Very high4 Ų451.7 Ų51.73%0.02723%0.228CC..  trans-100.8140.3173.1-171.20000110.7F36 R37 S40 R68 N70C34-F36 VanDerWaalsContact C-N 3.33Å; C34-F36 PolarHBondContact O-N 3.12Å; C34-R37 HydrophobicContact CB-CB 4.05Å; C34-R37 HydrophobicContact CB-CG 3.98Å; C34-S40 PolarHBondContact N-OG 3.24Å; C34-R68 WeakPolarHBondContact CA-O 3.34Å; C34-R68 VanDerWaalsContact CB-O 3.25Å; C34-R68 WeakPolarHBondContact CB-O 3.15Å; C34-R68 PolarHBondContact SG-O 2.81Å; C34-N70 PolarHBondContact SG-N 2.79Å
35K94.5Very high94.9Very high148 Ų14851.5 Ų51.564%0.64323%0.225SC*.SBendtrans-63.2-35.8178.9-173.1175-179.6178.30113.2R44K35-R44 PolarHBondContact O-NH1 3.09Å; K35-R44 VanDerWaalsContact O-NH1 3.08Å
36F93.1Very high95.2Very high176 Ų17651.5 Ų51.577%0.77222%0.224SC*.SBendtrans-107.8-18.5-167.8-57.4-70000114.8C34C34-F36 VanDerWaalsContact C-N 3.33Å; C34-F36 PolarHBondContact O-N 3.12Å
37R93.7Very high95.4Very high65 Ų6553.2 Ų53.225%0.24523%0.233CC..  trans-74.8133.2-176.3-71.9-179.267.3129.5-1.3110.8C34 D39 S40 N70 R71C34-R37 HydrophobicContact CB-CB 4.05Å; C34-R37 HydrophobicContact CB-CG 3.98Å; R37-D39 VanDerWaalsContact C-N 3.28Å; R37-D39 IonicContact CZ-OD2 3.64Å; R37-D39 IonicContact NE-OD2 3.69Å; R37-D39 IonicContact NH2-OD2 2.74Å; R37-D39 PolarHBondContact NH2-OD2 3.08Å; R37-D39 PolarHBondContact O-N 2.95Å; R37-S40 PolarHBondContact O-N 3.37Å; R37-N70 PolarHBondContact NH1-O 2.87Å; R37-N70 PolarHBondContact NH1-OD1 2.81Å; R37-R71 WeakPolarHBondContact CD-O 3.25Å
38R94.2Very high95.6Very high197 Ų19755.9 Ų55.974%0.74325%0.245SC*.G310 helixtrans-58-41.4171.9-175.7-179.3-71.2-96.83.5111.5S40 Q41R38-S40 PolarHBondContact O-N 3.45Å; R38-Q41 WeakPolarHBondContact O-CB 3.2Å; R38-Q41 PolarHBondContact O-N 2.82Å
39D94.4Very high95.7Very high32 Ų3257.5 Ų57.517%0.17126%0.259CS..G310 helixtrans-59.6-17.4-179.3-40.37.8000114.1R37 P73 K104 D105R37-D39 VanDerWaalsContact C-N 3.28Å; R37-D39 IonicContact CZ-OD2 3.64Å; R37-D39 IonicContact NE-OD2 3.69Å; R37-D39 IonicContact NH2-OD2 2.74Å; R37-D39 PolarHBondContact NH2-OD2 3.08Å; R37-D39 PolarHBondContact O-N 2.95Å; D39-P73 WeakPolarHBondContact O-CG 3.29Å; D39-K104 HydrophobicContact CB-CG 3.8Å; D39-K104 WeakPolarHBondContact OD2-CE 3.45Å; D39-D105 WeakPolarHBondContact CA-OD1 3.16Å; D39-D105 VanDerWaalsContact CB-OD1 3.23Å; D39-D105 WeakPolarHBondContact CB-OD1 3.06Å; D39-D105 PolarHBondContact O-N 2.96Å; D39-D105 VanDerWaalsContact O-N 3.17Å
40S94.8Very high95.8Very high0 Ų061.4 Ų61.40%028%0.277CS..G310 helixtrans-99.28.6177.5-580000113.2C34 R37 R38 V43 R44 P73C34-S40 PolarHBondContact N-OG 3.24Å; R37-S40 PolarHBondContact O-N 3.37Å; R38-S40 PolarHBondContact O-N 3.45Å; S40-V43 PolarHBondContact O-N 3.34Å; S40-R44 WeakPolarHBondContact O-CG 3.38Å; S40-R44 PolarHBondContact O-N 3.37Å; S40-R44 VanDerWaalsContact O-N 3.12Å; S40-P73 WeakPolarHBondContact OG-CD 3.44Å
41Q95.8Very high95.8Very high91 Ų9162.2 Ų62.243%0.42528%0.281SS..Hα-helixtrans-58.8-55.8-177.2-178.2170.51.800111.6R38 V43 R44 D45R38-Q41 WeakPolarHBondContact O-CB 3.2Å; R38-Q41 PolarHBondContact O-N 2.82Å; Q41-V43 PolarHBondContact O-N 3.37Å; Q41-V43 VanDerWaalsContact O-N 3.09Å; Q41-R44 WeakPolarHBondContact O-CA 3.38Å; Q41-R44 WeakPolarHBondContact O-CB 3.46Å; Q41-R44 PolarHBondContact O-N 2.96Å; Q41-D45 VanDerWaalsContact O-CG 3.25Å; Q41-D45 PolarHBondContact O-N 3.31Å
42G96.4Very high95.7Very high6 Ų666 Ų666%0.06230%0.304CS..Hα-helixtrans-58.4-31.1-179.500000114Y46 M106 I111G42-Y46 WeakPolarHBondContact O-CB 3.45Å; G42-Y46 PolarHBondContact O-N 2.96Å; G42-M106 WeakPolarHBondContact CA-O 3.37Å; G42-I111 WeakPolarHBondContact O-CD1 3.49Å
43V97Very high95.8Very high1 Ų167.3 Ų67.31%0.00631%0.313CS..Hα-helixtrans-72.1-35.3176.1179.60000111.2C33 S40 Q41 I47 P73 A103 I111C33-V43 HydrophobicContact CB-CB 4.3Å; C33-V43 HydrophobicContact CB-CG1 3.79Å; S40-V43 PolarHBondContact O-N 3.34Å; Q41-V43 PolarHBondContact O-N 3.37Å; Q41-V43 VanDerWaalsContact O-N 3.09Å; V43-I47 HydrophobicContact CG1-CD1 3.95Å; V43-I47 WeakPolarHBondContact O-CB 3.12Å; V43-I47 WeakPolarHBondContact O-CD1 3.27Å; V43-I47 WeakPolarHBondContact O-CG1 3.46Å; V43-I47 PolarHBondContact O-N 3.01Å; V43-P73 HydrophobicContact CB-CB 4.46Å; V43-P73 HydrophobicContact CG2-CB 3.81Å; V43-P73 HydrophobicContact CG2-CG 4.37Å; V43-A103 HydrophobicContact CG2-CB 3.87Å; V43-I111 HydrophobicContact CB-CD1 4.19Å; V43-I111 HydrophobicContact CG2-CD1 3.45Å; V43-I111 VanDerWaalsContact CG2-CD1 3.45Å; V43-I111 HydrophobicContact CG2-CG1 4.25Å
44R96.3Very high95.8Very high74 Ų7467.9 Ų67.928%0.27931%0.314SS..Hα-helixtrans-67.7-46.3174-70.9-176.8-70.2153.5-1.9110.7K35 S40 Q41 Y46 I47 E48K35-R44 PolarHBondContact O-NH1 3.09Å; K35-R44 VanDerWaalsContact O-NH1 3.08Å; S40-R44 WeakPolarHBondContact O-CG 3.38Å; S40-R44 PolarHBondContact O-N 3.37Å; S40-R44 VanDerWaalsContact O-N 3.12Å; Q41-R44 WeakPolarHBondContact O-CA 3.38Å; Q41-R44 WeakPolarHBondContact O-CB 3.46Å; Q41-R44 PolarHBondContact O-N 2.96Å; R44-Y46 VanDerWaalsContact C-N 3.26Å; R44-Y46 PolarHBondContact O-N 2.95Å; R44-I47 WeakPolarHBondContact O-CA 3.4Å; R44-I47 WeakPolarHBondContact O-CB 3.45Å; R44-I47 PolarHBondContact O-N 3.01Å; R44-E48 WeakPolarHBondContact O-CG 3.14Å; R44-E48 PolarHBondContact O-N 2.99Å
45D97Very high95.9Very high50 Ų5069.6 Ų69.627%0.26733%0.329SS..Hα-helixtrans-59.3-39.8177.7-55.1-11.7000110.8Q41 E48 N49 C108Q41-D45 VanDerWaalsContact O-CG 3.25Å; Q41-D45 PolarHBondContact O-N 3.31Å; D45-E48 PolarHBondContact O-N 3.46Å; D45-N49 WeakPolarHBondContact O-CB 3.36Å; D45-N49 PolarHBondContact O-N 2.92Å; D45-N49 PolarHBondContact O-ND2 3.01Å; D45-C108 HydrophobicContact CB-CB 4.17Å
46Y97.4Very high96.1Very high8 Ų870.9 Ų70.93%0.03133%0.33CS..Hα-helixtrans-66-41173.5-177.6-89.3000112.9L31 G42 R44 E48 H50 L51 I111 A112 I115L31-Y46 HydrophobicContact CD1-CD1 4.47Å; G42-Y46 WeakPolarHBondContact O-CB 3.45Å; G42-Y46 PolarHBondContact O-N 2.96Å; R44-Y46 VanDerWaalsContact C-N 3.26Å; R44-Y46 PolarHBondContact O-N 2.95Å; Y46-E48 VanDerWaalsContact C-N 3.3Å; Y46-E48 PolarHBondContact O-N 3.47Å; Y46-H50 HydrophobicContact CD2-CB 3.79Å; Y46-H50 AromaticContact CD2-CD2 3.97Å; Y46-H50 HydrophobicContact CE2-CB 3.55Å; Y46-H50 HydrophobicContact CG-CB 4.42Å; Y46-H50 PolarHBondContact O-N 2.93Å; Y46-L51 HydrophobicContact CE1-CB 4.49Å; Y46-L51 HydrophobicContact CE1-CD1 4.02Å; Y46-L51 PolarHBondContact O-N 2.9Å; Y46-L51 VanDerWaalsContact O-N 3.09Å; Y46-I111 HydrophobicContact CD1-CG2 4.23Å; Y46-I111 HydrophobicContact CD2-CG2 4.14Å; Y46-I111 HydrophobicContact CG-CG2 3.83Å; Y46-A112 HydrophobicContact CD2-CB 3.99Å; Y46-A112 HydrophobicContact CE2-CB 3.65Å; Y46-I115 HydrophobicContact CD1-CD1 3.68Å; Y46-I115 HydrophobicContact CE1-CD1 3.14Å; Y46-I115 HydrophobicContact CE2-CD1 4.08Å; Y46-I115 HydrophobicContact CG-CD1 4.34Å
47I96.9Very high96.2Very high38 Ų3868.4 Ų68.420%0.19533%0.325CS..Hα-helixtrans-61.1-41.4177-72.8162.6000111L31 C33 V43 R44 L51 V65L31-I47 HydrophobicContact CD1-CD1 4.38Å; L31-I47 HydrophobicContact CD1-CG1 3.85Å; C33-I47 VanDerWaalsContact SG-CD1 3.59Å; V43-I47 HydrophobicContact CG1-CD1 3.95Å; V43-I47 WeakPolarHBondContact O-CB 3.12Å; V43-I47 WeakPolarHBondContact O-CD1 3.27Å; V43-I47 WeakPolarHBondContact O-CG1 3.46Å; V43-I47 PolarHBondContact O-N 3.01Å; R44-I47 WeakPolarHBondContact O-CA 3.4Å; R44-I47 WeakPolarHBondContact O-CB 3.45Å; R44-I47 PolarHBondContact O-N 3.01Å; I47-L51 HydrophobicContact CB-CD2 4.4Å; I47-L51 HydrophobicContact CG1-CD2 4.23Å; I47-L51 HydrophobicContact CG2-CD2 4.02Å; I47-L51 WeakPolarHBondContact O-CB 3.35Å; I47-V65 HydrophobicContact CD1-CG1 3.92Å
48E96.1Very high96.3Very high144 Ų14466.4 Ų66.467%0.67332%0.319SS*.Hα-helixtrans-73.4-43.5-178.5-70.4173.5-167.500112.1R44 D45 Y46R44-E48 WeakPolarHBondContact O-CG 3.14Å; R44-E48 PolarHBondContact O-N 2.99Å; D45-E48 PolarHBondContact O-N 3.46Å; Y46-E48 VanDerWaalsContact C-N 3.3Å; Y46-E48 PolarHBondContact O-N 3.47Å
49N96.7Very high96.4Very high102 Ų10262.7 Ų62.755%0.54532%0.32SS..Hα-helixtrans-96.3-34.8-169.6-63.2-47.4000115.2D45D45-N49 WeakPolarHBondContact O-CB 3.36Å; D45-N49 PolarHBondContact O-N 2.92Å; D45-N49 PolarHBondContact O-ND2 3.01Å
50H96.7Very high96.3Very high86 Ų8664.3 Ų64.340%0.39834%0.338SS..THydrogen-bonded Turntrans-124.3-17.6-165.5-62.1-57.9000115.1Y46 V52 D53 F54 C108Y46-H50 HydrophobicContact CD2-CB 3.79Å; Y46-H50 AromaticContact CD2-CD2 3.97Å; Y46-H50 HydrophobicContact CE2-CB 3.55Å; Y46-H50 HydrophobicContact CG-CB 4.42Å; Y46-H50 PolarHBondContact O-N 2.93Å; H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact O-N 2.79Å; H50-D53 PolarHBondContact O-N 3.07Å; H50-F54 WeakPolarHBondContact O-CB 3.39Å; H50-F54 PolarHBondContact O-N 3.31Å; H50-C108 VanDerWaalsContact CD2-SG 3.53Å
51L96.4Very high96.2Very high23 Ų2364.9 Ų64.912%0.1234%0.342CS..Hα-helixtrans-62.2-41-172.5-173.167.4000113.3L31 Y46 I47 A55 I63 V65L31-L51 HydrophobicContact CD1-CD1 3.47Å; L31-L51 VanDerWaalsContact CD1-CD1 3.47Å; L31-L51 HydrophobicContact CD1-CD2 4.35Å; Y46-L51 HydrophobicContact CE1-CB 4.49Å; Y46-L51 HydrophobicContact CE1-CD1 4.02Å; Y46-L51 PolarHBondContact O-N 2.9Å; Y46-L51 VanDerWaalsContact O-N 3.09Å; I47-L51 HydrophobicContact CB-CD2 4.4Å; I47-L51 HydrophobicContact CG1-CD2 4.23Å; I47-L51 HydrophobicContact CG2-CD2 4.02Å; I47-L51 WeakPolarHBondContact O-CB 3.35Å; L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 3.35Å; L51-I63 HydrophobicContact CD1-CD1 4.47Å; L51-I63 HydrophobicContact CD1-CG2 3.63Å; L51-I63 HydrophobicContact CD2-CG2 4.46Å; L51-I63 HydrophobicContact CG-CG2 4.28Å; L51-V65 HydrophobicContact CD2-CG2 3.58Å
52V96.5Very high96.2Very high81 Ų8162.4 Ų62.449%0.49134%0.337SS..Hα-helixtrans-67.8-42.1-177.4179.90000110.5H50 A55 R56H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact O-N 2.79Å; V52-A55 WeakPolarHBondContact O-CB 3.43Å; V52-A55 PolarHBondContact O-N 2.9Å; V52-R56 WeakPolarHBondContact O-CG 3.32Å; V52-R56 PolarHBondContact O-N 2.96Å
53D97Very high96.2Very high77 Ų7764.1 Ų64.141%0.41234%0.344SS..Hα-helixtrans-67.8-43178.2-62.3-30.8000111H50 A55 R56 D57H50-D53 PolarHBondContact O-N 3.07Å; D53-A55 PolarHBondContact O-N 2.83Å; D53-R56 WeakPolarHBondContact O-CB 3.5Å; D53-R56 PolarHBondContact O-N 3.28Å; D53-R56 VanDerWaalsContact O-N 3.08Å; D53-R56 IonicContact OD1-NH1 3.03Å; D53-R56 PolarHBondContact OD1-NH1 3.35Å; D53-D57 PolarHBondContact O-N 3.39Å
54F96.9Very high96.2Very high22 Ų2269.4 Ų69.410%0.09637%0.365CS..Hα-helixtrans-58.3-36.7173178-93.7000112.7H50 N58 I63 I115 R119H50-F54 WeakPolarHBondContact O-CB 3.39Å; H50-F54 PolarHBondContact O-N 3.31Å; F54-N58 WeakPolarHBondContact CE2-ND2 3.37Å; F54-N58 WeakPolarHBondContact O-CB 3.38Å; F54-N58 PolarHBondContact O-N 2.88Å; F54-N58 PolarHBondContact O-ND2 3.25Å; F54-I63 HydrophobicContact CD1-CD1 3.52Å; F54-I63 HydrophobicContact CE1-CD1 3.84Å; F54-I63 HydrophobicContact CE1-CG1 4.46Å; F54-I115 HydrophobicContact CD1-CG2 4.32Å; F54-I115 HydrophobicContact CD2-CG2 3.95Å; F54-I115 HydrophobicContact CE1-CG2 3.94Å; F54-I115 HydrophobicContact CE2-CG2 3.5Å; F54-I115 VanDerWaalsContact CE2-CG2 3.5Å; F54-I115 HydrophobicContact CG-CG2 4.34Å; F54-I115 HydrophobicContact CZ-CG2 3.5Å; F54-R119 HydrophobicContact CE2-CB 4.41Å; F54-R119 HydrophobicContact CZ-CB 4.39Å
55A96.9Very high96.2Very high41 Ų4169 Ų6934%0.33937%0.371SS..Hα-helixtrans-66.9-39.6175.900000112.5L51 V52 D53 N58 I63L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 3.35Å; V52-A55 WeakPolarHBondContact O-CB 3.43Å; V52-A55 PolarHBondContact O-N 2.9Å; D53-A55 PolarHBondContact O-N 2.83Å; A55-N58 CarbonylContact O-C 3.59Å; A55-N58 PolarHBondContact O-N 3.21Å; A55-I63 HydrophobicContact CB-CD1 3.62Å
56R97.1Very high96.2Very high175 Ų17571.9 Ų71.966%0.6638%0.381SS*.Hα-helixtrans-65.9-41.9176.9-71.8170.6176.9155.4-5.5111.6V52 D53 N58V52-R56 WeakPolarHBondContact O-CG 3.32Å; V52-R56 PolarHBondContact O-N 2.96Å; D53-R56 WeakPolarHBondContact O-CB 3.5Å; D53-R56 PolarHBondContact O-N 3.28Å; D53-R56 VanDerWaalsContact O-N 3.08Å; D53-R56 IonicContact OD1-NH1 3.03Å; D53-R56 PolarHBondContact OD1-NH1 3.35Å; R56-N58 VanDerWaalsContact C-N 3.28Å; R56-N58 PolarHBondContact O-N 2.87Å
57D96.6Very high96.1Very high124 Ų12476.6 Ų76.666%0.66341%0.412SS*.Hα-helixtrans-68.7-27.3179.5-68.9-17.1000112.9D53 P59D53-D57 PolarHBondContact O-N 3.39Å; D57-P59 VanDerWaalsContact C-CD 3.46Å; D57-P59 WeakPolarHBondContact O-CD 3.47Å
58N95.6Very high96Very high22 Ų2278.9 Ų78.912%0.11842%0.419CS..  trans-126.167-172-57.5-77.6000112F54 A55 R56 A60 T61 R119F54-N58 WeakPolarHBondContact CE2-ND2 3.37Å; F54-N58 WeakPolarHBondContact O-CB 3.38Å; F54-N58 PolarHBondContact O-N 2.88Å; F54-N58 PolarHBondContact O-ND2 3.25Å; A55-N58 CarbonylContact O-C 3.59Å; A55-N58 PolarHBondContact O-N 3.21Å; R56-N58 VanDerWaalsContact C-N 3.28Å; R56-N58 PolarHBondContact O-N 2.87Å; N58-A60 PolarHBondContact O-N 3.47Å; N58-T61 PolarHBondContact O-N 3.28Å; N58-R119 WeakPolarHBondContact OD1-CD 3.31Å; N58-R119 PolarHBondContact OD1-NH1 3.3Å
59P95.7Very high95.9Very high119 Ų11983.2 Ų83.277%0.77343%0.429SS*.THydrogen-bonded Turntrans-63.6-19.1-175.826.4-35.9000113.6D57 T61D57-P59 VanDerWaalsContact C-CD 3.46Å; D57-P59 WeakPolarHBondContact O-CD 3.47Å; P59-T61 VanDerWaalsContact C-N 3.33Å
60A92.3Very high95.6Very high66 Ų6684 Ų8455%0.54543%0.433SS..THydrogen-bonded Turntrans-76.6-16.9178.100000113.9P24 N58P24-A60 HydrophobicContact CB-CB 4.49Å; P24-A60 HydrophobicContact CG-CB 4.19Å; N58-A60 PolarHBondContact O-N 3.47Å
61T94Very high95.5Very high13 Ų1387 Ų878%0.0844%0.441CS..SBendtrans-102123.6-176.6-61.10000110.7L26 I29 N58 P59 I63L26-T61 HydrophobicContact CD2-CG2 3.79Å; L26-T61 HydrophobicContact CG-CG2 3.85Å; L26-T61 PolarHBondContact O-OG1 2.96Å; I29-T61 HydrophobicContact CG2-CG2 4.12Å; N58-T61 PolarHBondContact O-N 3.28Å; P59-T61 VanDerWaalsContact C-N 3.33Å; T61-I63 HydrophobicContact CG2-CG1 4.49Å
62A94.8Very high95.4Very high39 Ų3988.6 Ų88.632%0.32245%0.453SS..EExtended strand (participates in β ladder)trans-82128.5172.500000110.9Q27 R28 I29 Y64Q27-A62 PolarHBondContact O-N 3.09Å; R28-A62 CarbonylContact C-O 3.57Å; R28-A62 VanDerWaalsContact CA-O 3.23Å; R28-A62 WeakPolarHBondContact CA-O 3.18Å; R28-A62 HydrophobicContact CG-CB 4.2Å; I29-A62 PolarHBondContact N-O 3.32Å; A62-Y64 HydrophobicContact CB-CE2 3.97Å
63I96.9Very high95.3Very high42 Ų4284.9 Ų84.922%0.21543%0.43CS..EExtended strand (participates in β ladder)trans-110126.6-175.9-56.8176.4000109.1I29 L51 F54 A55 T61I29-I63 HydrophobicContact CG2-CB 4.17Å; I29-I63 HydrophobicContact CG2-CG1 3.73Å; I29-I63 HydrophobicContact CG2-CG2 4.11Å; I29-I63 WeakPolarHBondContact O-CA 3.43Å; L51-I63 HydrophobicContact CD1-CD1 4.47Å; L51-I63 HydrophobicContact CD1-CG2 3.63Å; L51-I63 HydrophobicContact CD2-CG2 4.46Å; L51-I63 HydrophobicContact CG-CG2 4.28Å; F54-I63 HydrophobicContact CD1-CD1 3.52Å; F54-I63 HydrophobicContact CE1-CD1 3.84Å; F54-I63 HydrophobicContact CE1-CG1 4.46Å; A55-I63 HydrophobicContact CB-CD1 3.62Å; T61-I63 HydrophobicContact CG2-CG1 4.49Å
64Y97Very high95.3Very high112 Ų11282.8 Ų82.844%0.43942%0.419SS..EExtended strand (participates in β ladder)trans-119.1132.2176.4-66.4-83.1000110.6R28 I29 T30 L31 A62R28-Y64 HydrophobicContact CG-CE2 4.45Å; I29-Y64 PolarHBondContact O-N 3.47Å; T30-Y64 CarbonylContact C-O 3.55Å; T30-Y64 VanDerWaalsContact CA-O 3.31Å; T30-Y64 WeakPolarHBondContact CA-O 3.45Å; L31-Y64 PolarHBondContact N-O 3.36Å; A62-Y64 HydrophobicContact CB-CE2 3.97Å
65V96.7Very high95.3Very high66 Ų6681.8 Ų81.840%0.441%0.414SS..EExtended strand (participates in β ladder)trans-105.8115.9168.6-177.50000108L31 I47 L51L31-V65 HydrophobicContact CD1-CG2 4.47Å; I47-V65 HydrophobicContact CD1-CG1 3.92Å; L51-V65 HydrophobicContact CD2-CG2 3.58Å
66K96.1Very high95.3Very high109 Ų10979.9 Ų79.947%0.47440%0.399SS..EExtended strand (participates in β ladder)trans-113.8100.2179.5-70.6-169.3-177.2178.90109.7T30 L31 K32 C33 R68T30-K66 HydrophobicContact CG2-CB 4.19Å; T30-K66 HydrophobicContact CG2-CD 3.75Å; T30-K66 HydrophobicContact CG2-CG 3.84Å; L31-K66 PolarHBondContact O-N 2.91Å; K32-K66 WeakPolarHBondContact CA-O 3.37Å; K32-K66 HydrophobicContact CG-CB 4.17Å; C33-K66 PolarHBondContact N-O 2.93Å; K66-R68 PolarHBondContact O-N 2.87Å
67P95.4Very high95.2Very high108 Ų10871.5 Ų71.570%0.70137%0.367SS*.EExtended strand (participates in β ladder)trans-64.8137.1174.527.3-33.4000110.2C33C33-P67 CarbonylContact O-C 3.49Å; C33-P67 WeakPolarHBondContact O-CA 3.45Å
68R94.3Very high95Very high86 Ų8666.4 Ų66.433%0.32534%0.339SS..  trans-127.1138.3176.8-65.6179.172.2-162.86110.4K32 C33 C34 K66 R71K32-R68 HydrophobicContact CB-CG 4.42Å; C33-R68 PolarHBondContact O-N 2.89Å; C34-R68 WeakPolarHBondContact CA-O 3.34Å; C34-R68 VanDerWaalsContact CB-O 3.25Å; C34-R68 WeakPolarHBondContact CB-O 3.15Å; C34-R68 PolarHBondContact SG-O 2.81Å; K66-R68 PolarHBondContact O-N 2.87Å; R68-R71 HydrophobicContact CB-CB 4.21Å
69R93.6Very high94.8Very high234 Ų23465.5 Ų65.588%0.88333%0.334SS*.THydrogen-bonded Turntrans-80.8130.2176-65.3-175.9180176.70.1110.4R71R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 WeakPolarHBondContact O-CG 3.49Å; R69-R71 PolarHBondContact O-N 2.85Å; R69-R71 VanDerWaalsContact O-N 3.13Å
70N91.8Very high94.1Very high120 Ų12063.9 Ų63.964%0.64231%0.313SS*.THydrogen-bonded Turntrans46.939.9173.9-163.220.3000115.8C34 R37C34-N70 PolarHBondContact SG-N 2.79Å; R37-N70 PolarHBondContact NH1-O 2.87Å; R37-N70 PolarHBondContact NH1-OD1 2.81Å
71R93.8Very high92.9Very high147 Ų14765.3 Ų65.356%0.55530%0.304SS*.  trans-125.6146.6176.5-67.4-66.9-173.7151.61.1110.4R37 R68 R69R37-R71 WeakPolarHBondContact CD-O 3.25Å; R68-R71 HydrophobicContact CB-CB 4.21Å; R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 WeakPolarHBondContact O-CG 3.49Å; R69-R71 PolarHBondContact O-N 2.85Å; R69-R71 VanDerWaalsContact O-N 3.13Å
72P93.7Very high91.2Very high57 Ų5766 Ų6637%0.3731%0.306SS..  trans-63.4155.5175.728.8-35.5000110.6
73P96.3Very high89.3Confident3 Ų371.6 Ų71.62%0.01933%0.325CS..  trans-70.1146.7-179.231.9-36.5000111.6K32 D39 S40 V43 A103K32-P73 CarbonylContact O-C 3.55Å; K32-P73 WeakPolarHBondContact O-CA 3.31Å; D39-P73 WeakPolarHBondContact O-CG 3.29Å; S40-P73 WeakPolarHBondContact OG-CD 3.44Å; V43-P73 HydrophobicContact CB-CB 4.46Å; V43-P73 HydrophobicContact CG2-CB 3.81Å; V43-P73 HydrophobicContact CG2-CG 4.37Å; P73-A103 HydrophobicContact CB-CB 4.3Å; P73-A103 VanDerWaalsContact CG-C 3.47Å; P73-A103 HydrophobicContact CG-CB 4.25Å; P73-A103 WeakPolarHBondContact CG-O 3.25Å; P73-A103 PolarHBondContact O-N 3.27Å
74L96.7Very high87.2Confident34 Ų3476.1 Ų76.118%0.17834%0.341CS..EExtended strand (participates in β ladder)trans-145.5125.5-178.2-176.270.5000109.8K32 V76 Y100 R102K32-L74 HydrophobicContact CB-CB 4.24Å; K32-L74 WeakPolarHBondContact CB-O 3.48Å; K32-L74 HydrophobicContact CD-CB 4.48Å; K32-L74 HydrophobicContact CD-CD2 4.24Å; K32-L74 PolarHBondContact N-O 3.37Å; K32-L74 PolarHBondContact O-N 2.91Å; L74-V76 HydrophobicContact CD2-CG2 3.96Å; L74-V76 HydrophobicContact CG-CG2 4.02Å; L74-Y100 HydrophobicContact CD1-CD1 4.36Å; L74-Y100 HydrophobicContact CD2-CD1 4.05Å; L74-Y100 HydrophobicContact CG-CD1 4.42Å; L74-R102 HydrophobicContact CD1-CG 4.48Å
75L96.7Very high84.5Confident0 Ų077 Ų770%035%0.352CS..EExtended strand (participates in β ladder)trans-92.7129.6169.1-42.9174.6000107.7L31 Y100 V101 A103 W114 I115 L118L31-L75 HydrophobicContact CD2-CD2 3.27Å; L75-Y100 WeakPolarHBondContact O-CA 3.35Å; L75-V101 HydrophobicContact CB-CB 4.15Å; L75-V101 HydrophobicContact CD1-CB 4.18Å; L75-V101 HydrophobicContact CD1-CG1 4.26Å; L75-V101 HydrophobicContact CG-CB 4.41Å; L75-V101 PolarHBondContact N-O 2.7Å; L75-V101 PolarHBondContact O-N 3.03Å; L75-A103 HydrophobicContact CD1-CB 4.3Å; L75-A103 HydrophobicContact CD2-CB 4.39Å; L75-A103 HydrophobicContact CG-CB 4.03Å; L75-W114 HydrophobicContact CD1-CB 4.3Å; L75-I115 HydrophobicContact CD1-CG1 4.27Å; L75-L118 HydrophobicContact CB-CD1 4.36Å
76V95.7Very high82Confident1 Ų185.5 Ų85.51%0.00638%0.377CS..EExtended strand (participates in β ladder)trans-120.4110.7175.7-172.80000108I29 T30 K32 L74 W98 Y100I29-V76 CarbonylContact C-O 3.52Å; I29-V76 WeakPolarHBondContact CA-O 3.31Å; T30-V76 PolarHBondContact N-O 2.66Å; T30-V76 PolarHBondContact O-N 3.09Å; K32-V76 HydrophobicContact CD-CG2 4.2Å; L74-V76 HydrophobicContact CD2-CG2 3.96Å; L74-V76 HydrophobicContact CG-CG2 4.02Å; V76-W98 HydrophobicContact CG1-CD2 4.48Å; V76-W98 HydrophobicContact CG1-CE3 3.74Å; V76-W98 HydrophobicContact CG1-CZ3 4.35Å; V76-Y100 HydrophobicContact CG1-CD1 4.21Å; V76-Y100 HydrophobicContact CG1-CE1 3.92Å; V76-Y100 HydrophobicContact CG2-CD1 3.87Å; V76-Y100 HydrophobicContact CG2-CE1 3.97Å
77A95.3Very high79.4Confident0 Ų086.5 Ų86.50%039%0.386CS..EExtended strand (participates in β ladder)trans-98.5130.8172.300000109.7L26 Y79 W98 Q99 L118L26-A77 HydrophobicContact CD1-CB 3.64Å; A77-Y79 HydrophobicContact CB-CE2 4.01Å; A77-W98 CarbonylContact O-C 3.49Å; A77-W98 WeakPolarHBondContact O-CA 3.45Å; A77-Q99 HydrophobicContact CB-CB 4.41Å; A77-Q99 PolarHBondContact N-O 3.11Å; A77-Q99 PolarHBondContact O-N 3.29Å; A77-L118 HydrophobicContact CB-CB 4.19Å; A77-L118 HydrophobicContact CB-CD1 4.05Å; A77-L118 HydrophobicContact CB-CD2 3.86Å; A77-L118 HydrophobicContact CB-CG 4.24Å
78E93.1Very high76.8Confident17 Ų1787.6 Ų87.68%0.07939%0.385CS..EExtended strand (participates in β ladder)trans-112.7123174-62.8177.6-159.300108.7Q27 R28 W98Q27-E78 PolarHBondContact N-O 2.9Å; R28-E78 HydrophobicContact CB-CB 4.22Å; R28-E78 IonicContact CZ-OE2 3.1Å; R28-E78 PolarHBondContact N-O 3.21Å; R28-E78 IonicContact NE-OE2 2.72Å; R28-E78 PolarHBondContact NE-OE2 3.39Å; R28-E78 IonicContact NH2-OE2 2.66Å; R28-E78 PolarHBondContact NH2-OE2 3.23Å; R28-E78 PolarHBondContact O-N 2.72Å; E78-W98 HydrophobicContact CG-CD2 4.22Å; E78-W98 HydrophobicContact CG-CG 4.31Å
79Y90.9Very high74.4Confident2 Ų288 Ų881%0.00839%0.393CS..EExtended strand (participates in β ladder)trans-96.6151.5178.3-63.9-84.7000110.8Q25 L26 A77 G96 N97 Q99 L118 R121Q25-Y79 HydrophobicContact CB-CD1 4.27Å; Q25-Y79 CarbonylContact O-C 3.55Å; Q25-Y79 WeakPolarHBondContact O-CA 3.38Å; L26-Y79 HydrophobicContact CB-CD1 4.45Å; L26-Y79 HydrophobicContact CB-CE1 4.26Å; L26-Y79 HydrophobicContact CD1-CD1 4.46Å; L26-Y79 HydrophobicContact CD1-CE1 4.11Å; A77-Y79 HydrophobicContact CB-CE2 4.01Å; Y79-G96 WeakPolarHBondContact O-CA 3.42Å; Y79-N97 PolarHBondContact N-O 2.9Å; Y79-N97 VanDerWaalsContact N-O 3.09Å; Y79-Q99 HydrophobicContact CE2-CB 3.89Å; Y79-L118 VanDerWaalsContact CE1-O 3.3Å; Y79-L118 WeakPolarHBondContact CE1-O 3.1Å; Y79-L118 WeakPolarHBondContact OH-CA 3.37Å; Y79-L118 PolarHBondContact OH-O 2.96Å; Y79-R121 HydrophobicContact CE1-CB 4.05Å; Y79-R121 VanDerWaalsContact CE1-O 3.3Å; Y79-R121 WeakPolarHBondContact CE1-O 3.35Å
80R81Confident72.1Confident86 Ų8683.8 Ų83.833%0.32539%0.386SS..PPolyproline II helixtrans-59.1141.3172.4-174.217357.8173.6-4.9110.3Y15 V23 Q25Y15-R80 PolarHBondContact O-NH2 3.4Å; V23-R80 VanDerWaalsContact CG1-NH1 3.31Å; Q25-R80 PolarHBondContact O-N 2.85Å
81R67.1Low69.9Low96 Ų9685.1 Ų85.136%0.36239%0.392SS..PPolyproline II helixtrans-67.1135.2178.5-173176.9175.2126.7-3.4110.8V92 L93R81-V92 PolarHBondContact NH1-O 2.84Å; R81-L93 VanDerWaalsContact NH1-CA 3.33Å
82F58.9Low67.4Low27 Ų2781.8 Ų81.812%0.11839%0.388CS..PPolyproline II helixtrans-82120.4169.3-67.3-112.8000108.8Y12 V14 Y84 S122 V124Y12-F82 AromaticContact CE2-CD1 3.76Å; Y12-F82 HydrophobicContact CE2-CD1 3.76Å; Y12-F82 AromaticContact CE2-CE1 3.72Å; Y12-F82 HydrophobicContact CE2-CE1 3.72Å; V14-F82 VanDerWaalsContact CA-CE1 3.45Å; V14-F82 HydrophobicContact CB-CD1 4Å; V14-F82 HydrophobicContact CB-CE1 3.27Å; V14-F82 HydrophobicContact CB-CZ 3.71Å; V14-F82 HydrophobicContact CG1-CD1 3.41Å; V14-F82 VanDerWaalsContact CG1-CD1 3.41Å; V14-F82 HydrophobicContact CG1-CD2 4.36Å; V14-F82 HydrophobicContact CG1-CE1 3.03Å; V14-F82 HydrophobicContact CG1-CE2 3.99Å; V14-F82 HydrophobicContact CG1-CG 4.08Å; V14-F82 HydrophobicContact CG1-CZ 3.31Å; V14-F82 HydrophobicContact CG2-CD1 4.35Å; V14-F82 HydrophobicContact CG2-CE1 3.21Å; V14-F82 HydrophobicContact CG2-CE2 4.49Å; V14-F82 HydrophobicContact CG2-CZ 3.26Å; F82-Y84 PolarHBondContact O-N 3.23Å; F82-Y84 VanDerWaalsContact O-N 3.07Å; F82-S122 VanDerWaalsContact CE2-O 3.28Å; F82-S122 WeakPolarHBondContact CE2-O 3.44Å; F82-S122 VanDerWaalsContact CZ-O 3.26Å; F82-S122 WeakPolarHBondContact CZ-O 3.38Å; F82-V124 HydrophobicContact CE1-CG2 3.69Å; F82-V124 HydrophobicContact CE2-CG2 4.19Å; F82-V124 HydrophobicContact CZ-CG2 3.36Å
83E55Low64.8Low157 Ų15783.5 Ų83.573%0.73439%0.393SS*.SBendtrans-80.384.1175.6-169.9176.3179.600111.2Y15Y15-E83 WeakPolarHBondContact CE2-O 3.44Å
84Y51.5Low62.4Low137 Ų13788.6 Ų88.654%0.53742%0.424SS..  trans-142.513.5164.6-79.7-66.9000114.5Y15 F82Y15-Y84 AromaticContact CD2-CD2 3.91Å; Y15-Y84 HydrophobicContact CD2-CD2 3.91Å; Y15-Y84 AromaticContact CD2-CE2 3.51Å; Y15-Y84 HydrophobicContact CD2-CE2 3.51Å; Y15-Y84 HydrophobicContact CE1-CE2 4.34Å; Y15-Y84 WeakPolarHBondContact CE1-OH 3.43Å; Y15-Y84 HydrophobicContact CE2-CD1 4.07Å; Y15-Y84 AromaticContact CE2-CD2 3.34Å; Y15-Y84 HydrophobicContact CE2-CD2 3.34Å; Y15-Y84 AromaticContact CE2-CE1 3.69Å; Y15-Y84 HydrophobicContact CE2-CE1 3.69Å; Y15-Y84 AromaticContact CE2-CE2 2.87Å; Y15-Y84 HydrophobicContact CE2-CE2 2.87Å; Y15-Y84 AromaticContact CE2-CG 3.92Å; Y15-Y84 HydrophobicContact CE2-CG 3.92Å; Y15-Y84 AromaticContact CE2-CZ 3.08Å; Y15-Y84 WeakPolarHBondContact CE2-OH 3.39Å; Y15-Y84 HydrophobicContact CG-CE2 4.48Å; Y15-Y84 AromaticContact CZ-CE1 3.6Å; Y15-Y84 AromaticContact CZ-CE2 3.41Å; Y15-Y84 VanDerWaalsContact CZ-CE2 3.41Å; Y15-Y84 AromaticContact CZ-CZ 3.05Å; Y15-Y84 WeakPolarHBondContact OH-CE1 3.23Å; Y15-Y84 PolarHBondContact OH-OH 3.34Å; F82-Y84 PolarHBondContact O-N 3.23Å; F82-Y84 VanDerWaalsContact O-N 3.07Å
85L41.7Very low60Low131 Ų13189.3 Ų89.369%0.68643%0.431SS*.  trans-13394.3173-148.882.8000110.1I87L85-I87 PolarHBondContact O-N 3.25Å
86R43.9Very low58.3Low244 Ų24490.1 Ų90.192%0.92144%0.439SS*.  trans-84.218.3-179.1-156.7169.888145.7-0113.5
87I41.6Very low57.5Low130 Ų13093.1 Ų93.167%0.66746%0.455SS*.SBendtrans-139.3122.6-175.7-60.8175.8000108.8L85L85-I87 PolarHBondContact O-N 3.25Å
88I41.4Very low57.2Low131 Ų13198.1 Ų98.167%0.67247%0.474SS*.SBendtrans98.1105.5172.8-62.3159.1000117.9
89I42.1Very low57.1Low94 Ų9498.8 Ų98.848%0.48248%0.477SS..  trans84.3106.4151.3-61.3162.4000119.9I91 V92 L93I89-I91 HydrophobicContact CG2-CB 3.64Å; I89-I91 HydrophobicContact CG2-CD1 4.44Å; I89-I91 HydrophobicContact CG2-CG1 4.07Å; I89-I91 PolarHBondContact O-N 3.34Å; I89-V92 HydrophobicContact CB-CG2 4.26Å; I89-V92 HydrophobicContact CG2-CB 4.41Å; I89-V92 HydrophobicContact CG2-CG2 3.91Å; I89-V92 PolarHBondContact O-N 2.95Å; I89-L93 WeakPolarHBondContact O-CG 3.47Å; I89-L93 PolarHBondContact O-N 3.13Å
90I45.1Very low57.3Low146 Ų146105 Ų10575%0.74950%0.502SS*.THydrogen-bonded Turntrans-53.2-20.7170.4-69.8167.1000113.9L93I90-L93 HydrophobicContact CB-CD1 4.34Å; I90-L93 HydrophobicContact CG1-CD1 3.96Å
91I46.6Very low58Low147 Ų147101.4 Ų101.475%0.75449%0.489SS*.THydrogen-bonded Turntrans-86.5-23.9179.2-50.1170000111.7I89I89-I91 HydrophobicContact CG2-CB 3.64Å; I89-I91 HydrophobicContact CG2-CD1 4.44Å; I89-I91 HydrophobicContact CG2-CG1 4.07Å; I89-I91 PolarHBondContact O-N 3.34Å
92V41.6Very low59.3Low78 Ų78106.9 Ų106.947%0.47351%0.51SS..THydrogen-bonded Turntrans-92.9-12.6174.5-177.30000110.8R81 I89 V94 C95R81-V92 PolarHBondContact NH1-O 2.84Å; I89-V92 HydrophobicContact CB-CG2 4.26Å; I89-V92 HydrophobicContact CG2-CB 4.41Å; I89-V92 HydrophobicContact CG2-CG2 3.91Å; I89-V92 PolarHBondContact O-N 2.95Å; V92-V94 PolarHBondContact O-N 3.48Å; V92-C95 PolarHBondContact O-N 2.85Å
93L39.5Very low60.9Low92 Ų92105.7 Ų105.748%0.48251%0.505SS..THydrogen-bonded Turntrans-62.6-24.1-178.6-70.1-177.4000114.4R81 I89 I90R81-L93 VanDerWaalsContact NH1-CA 3.33Å; I89-L93 WeakPolarHBondContact O-CG 3.47Å; I89-L93 PolarHBondContact O-N 3.13Å; I90-L93 HydrophobicContact CB-CD1 4.34Å; I90-L93 HydrophobicContact CG1-CD1 3.96Å
94V44.7Very low62.8Low110 Ų110103.3 Ų103.367%0.66749%0.492SS*.THydrogen-bonded Turntrans-91.7-22.2-176-173.60000112.9V92V92-V94 PolarHBondContact O-N 3.48Å
95C45.7Very low64.8Low50 Ų50101.3 Ų101.334%0.33849%0.491SS..  trans-110.1113.2-169.7-64.60000109.6V92 W98V92-C95 PolarHBondContact O-N 2.85Å; C95-W98 HydrophobicContact CB-CZ2 4.17Å
96G61.7Low67.4Low16 Ų1697 Ų9717%0.16547%0.468CS..  trans-68.3-162.1174.500000113.4Y79 W98Y79-G96 WeakPolarHBondContact O-CA 3.42Å; G96-W98 PolarHBondContact O-NE1 3.39Å
97N79.3Confident69.9Low65 Ų6588.9 Ų88.935%0.34845%0.445SS..  trans-75.3134.8171.9-75.4-20.2000109.9Y79 G123Y79-N97 PolarHBondContact N-O 2.9Å; Y79-N97 VanDerWaalsContact N-O 3.09Å; N97-G123 VanDerWaalsContact CB-O 3.3Å; N97-G123 WeakPolarHBondContact CB-O 3.49Å; N97-G123 PolarHBondContact ND2-O 3.2Å
98W88.9Confident72.5Confident105 Ų10583.7 Ų83.740%0.39842%0.42SS..EExtended strand (participates in β ladder)trans-107.8129.4-177.8-63.529000108.3V76 A77 E78 C95 G96 Y100V76-W98 HydrophobicContact CG1-CD2 4.48Å; V76-W98 HydrophobicContact CG1-CE3 3.74Å; V76-W98 HydrophobicContact CG1-CZ3 4.35Å; A77-W98 CarbonylContact O-C 3.49Å; A77-W98 WeakPolarHBondContact O-CA 3.45Å; E78-W98 HydrophobicContact CG-CD2 4.22Å; E78-W98 HydrophobicContact CG-CG 4.31Å; C95-W98 HydrophobicContact CB-CZ2 4.17Å; G96-W98 PolarHBondContact O-NE1 3.39Å; W98-Y100 HydrophobicContact CB-CD2 4.46Å; W98-Y100 HydrophobicContact CB-CE2 3.77Å; W98-Y100 HydrophobicContact CE3-CE1 4.13Å; W98-Y100 AromaticContact CE3-CZ 3.67Å
99Q91.8Very high75.1Confident30 Ų3084.7 Ų84.714%0.1442%0.422CS..EExtended strand (participates in β ladder)trans-111.4125.4170.7-169.8169.5-8.800109.2A77 Y79 L118A77-Q99 HydrophobicContact CB-CB 4.41Å; A77-Q99 PolarHBondContact N-O 3.11Å; A77-Q99 PolarHBondContact O-N 3.29Å; Y79-Q99 HydrophobicContact CE2-CB 3.89Å; Q99-L118 HydrophobicContact CB-CD2 4.08Å; Q99-L118 HydrophobicContact CG-CD2 3.84Å
100Y94Very high77.8Confident132 Ų13284.4 Ų84.452%0.51842%0.419SS..EExtended strand (participates in β ladder)trans-105.4126.4179.7-62.3-85.8000109.1L74 L75 V76 W98L74-Y100 HydrophobicContact CD1-CD1 4.36Å; L74-Y100 HydrophobicContact CD2-CD1 4.05Å; L74-Y100 HydrophobicContact CG-CD1 4.42Å; L75-Y100 WeakPolarHBondContact O-CA 3.35Å; V76-Y100 HydrophobicContact CG1-CD1 4.21Å; V76-Y100 HydrophobicContact CG1-CE1 3.92Å; V76-Y100 HydrophobicContact CG2-CD1 3.87Å; V76-Y100 HydrophobicContact CG2-CE1 3.97Å; W98-Y100 HydrophobicContact CB-CD2 4.46Å; W98-Y100 HydrophobicContact CB-CE2 3.77Å; W98-Y100 HydrophobicContact CE3-CE1 4.13Å; W98-Y100 AromaticContact CE3-CZ 3.67Å
101V95.2Very high80.2Confident11 Ų1177.4 Ų77.47%0.06738%0.383CS..EExtended strand (participates in β ladder)trans-117.8118.4172.1-178.30000108.1L75 A103 W114 L118L75-V101 HydrophobicContact CB-CB 4.15Å; L75-V101 HydrophobicContact CD1-CB 4.18Å; L75-V101 HydrophobicContact CD1-CG1 4.26Å; L75-V101 HydrophobicContact CG-CB 4.41Å; L75-V101 PolarHBondContact N-O 2.7Å; L75-V101 PolarHBondContact O-N 3.03Å; V101-A103 PolarHBondContact O-N 2.89Å; V101-W114 HydrophobicContact CG1-CD2 3.9Å; V101-W114 HydrophobicContact CG1-CE3 4.12Å; V101-W114 HydrophobicContact CG1-CG 4.09Å; V101-W114 HydrophobicContact CG2-CE3 4.16Å; V101-L118 HydrophobicContact CG2-CD1 4.03Å; V101-L118 HydrophobicContact CG2-CD2 4.09Å; V101-L118 HydrophobicContact CG2-CG 4.39Å
102R95.1Very high82.6Confident212 Ų21271.8 Ų71.880%0.836%0.358SS*.EExtended strand (participates in β ladder)trans-75.5105.8173.9-66.3-168.5-66-154.8-0.1108L74 K104 M106L74-R102 HydrophobicContact CD1-CG 4.48Å; R102-K104 VanDerWaalsContact C-N 3.27Å; R102-K104 PolarHBondContact O-N 3.35Å; R102-M106 WeakPolarHBondContact O-CE 3.3Å
103A93Very high85.3Confident1 Ų173.4 Ų73.41%0.00836%0.364CS..  trans-93.532.3-175.100000113.2V43 P73 L75 V101 M106V43-A103 HydrophobicContact CG2-CB 3.87Å; P73-A103 HydrophobicContact CB-CB 4.3Å; P73-A103 VanDerWaalsContact CG-C 3.47Å; P73-A103 HydrophobicContact CG-CB 4.25Å; P73-A103 WeakPolarHBondContact CG-O 3.25Å; P73-A103 PolarHBondContact O-N 3.27Å; L75-A103 HydrophobicContact CD1-CB 4.3Å; L75-A103 HydrophobicContact CD2-CB 4.39Å; L75-A103 HydrophobicContact CG-CB 4.03Å; V101-A103 PolarHBondContact O-N 2.89Å; A103-M106 HydrophobicContact CB-SD 4.13Å
104K94.1Very high88Confident108 Ų10873.8 Ų73.847%0.4736%0.359SS..THydrogen-bonded Turntrans-74.5128.3-173.6-168.3-156.2174.8-145.70109.3D39 R102 M106D39-K104 HydrophobicContact CB-CG 3.8Å; D39-K104 WeakPolarHBondContact OD2-CE 3.45Å; R102-K104 VanDerWaalsContact C-N 3.27Å; R102-K104 PolarHBondContact O-N 3.35Å; K104-M106 PolarHBondContact O-N 3.27Å
105D94.1Very high90.5Very high95 Ų9568.6 Ų68.651%0.50833%0.328SS..THydrogen-bonded Turntrans59.825.6175.2-53-42000113.7D39D39-D105 WeakPolarHBondContact CA-OD1 3.16Å; D39-D105 VanDerWaalsContact CB-OD1 3.23Å; D39-D105 WeakPolarHBondContact CB-OD1 3.06Å; D39-D105 PolarHBondContact O-N 2.96Å; D39-D105 VanDerWaalsContact O-N 3.17Å
106M95.7Very high92.9Very high41 Ų4169.5 Ų69.520%0.20233%0.33CS..  trans-88.4149.5176.4-69.6-178.4-178.400112G42 R102 A103 K104 E110 I111G42-M106 WeakPolarHBondContact CA-O 3.37Å; R102-M106 WeakPolarHBondContact O-CE 3.3Å; A103-M106 HydrophobicContact CB-SD 4.13Å; K104-M106 PolarHBondContact O-N 3.27Å; M106-E110 VanDerWaalsContact CA-OE2 3.27Å; M106-E110 WeakPolarHBondContact CA-OE2 3.3Å; M106-E110 HydrophobicContact CB-CB 4.27Å; M106-E110 WeakPolarHBondContact CB-OE2 3.3Å; M106-I111 HydrophobicContact CB-CD1 4.09Å; M106-I111 HydrophobicContact CB-CG1 3.85Å
107T96.6Very high94.5Very high72 Ų7272.8 Ų72.844%0.44234%0.339SS..  trans-75.3163173.171.40000111.5E109 E110 I111T107-E109 VanDerWaalsContact C-N 3.27Å; T107-E109 PolarHBondContact O-N 3.18Å; T107-E110 PolarHBondContact N-OE2 2.95Å; T107-E110 PolarHBondContact O-N 3.18Å; T107-E110 VanDerWaalsContact OG1-CG 3.29Å; T107-E110 WeakPolarHBondContact OG1-CG 3.44Å; T107-E110 PolarHBondContact OG1-N 3.44Å; T107-I111 WeakPolarHBondContact O-CD1 3.4Å; T107-I111 VanDerWaalsContact O-CG1 3.32Å; T107-I111 WeakPolarHBondContact O-CG1 3.34Å; T107-I111 PolarHBondContact O-N 2.99Å; T107-I111 VanDerWaalsContact O-N 3.08Å
108C96.5Very high95.3Very high22 Ų2269.7 Ų69.715%0.14932%0.323CS..Hα-helixtrans-57.6-41.1176.9-175.10000112.1D45 H50 I111 A112D45-C108 HydrophobicContact CB-CB 4.17Å; H50-C108 VanDerWaalsContact CD2-SG 3.53Å; C108-I111 PolarHBondContact O-N 3.2Å; C108-A112 PolarHBondContact O-N 3.03Å
109E96.8Very high95.5Very high151 Ų15169.3 Ų69.371%0.70632%0.321SS*.Hα-helixtrans-67.1-43178.8-63.9177.9-17600112.4T107 I111 A112 N113T107-E109 VanDerWaalsContact C-N 3.27Å; T107-E109 PolarHBondContact O-N 3.18Å; E109-I111 VanDerWaalsContact C-N 3.27Å; E109-I111 PolarHBondContact O-N 3.06Å; E109-A112 WeakPolarHBondContact O-CB 3.48Å; E109-A112 PolarHBondContact O-N 3.38Å; E109-N113 PolarHBondContact O-N 2.81Å; E109-N113 PolarHBondContact O-ND2 3.22Å
110E97.3Very high95.5Very high88 Ų8872.4 Ų72.441%0.41134%0.342SS..Hα-helixtrans-60-41.3175-73.8173.4161.300111.2M106 T107 N113 W114M106-E110 VanDerWaalsContact CA-OE2 3.27Å; M106-E110 WeakPolarHBondContact CA-OE2 3.3Å; M106-E110 HydrophobicContact CB-CB 4.27Å; M106-E110 WeakPolarHBondContact CB-OE2 3.3Å; T107-E110 PolarHBondContact N-OE2 2.95Å; T107-E110 PolarHBondContact O-N 3.18Å; T107-E110 VanDerWaalsContact OG1-CG 3.29Å; T107-E110 WeakPolarHBondContact OG1-CG 3.44Å; T107-E110 PolarHBondContact OG1-N 3.44Å; E110-N113 PolarHBondContact O-N 3Å; E110-W114 PolarHBondContact O-N 3.25Å
111I97.1Very high95.4Very high0 Ų068.4 Ų68.40%033%0.326CS..Hα-helixtrans-65.6-41.7177.2-68.6159.4000110.8G42 V43 Y46 M106 T107 C108 E109 N113 W114 I115G42-I111 WeakPolarHBondContact O-CD1 3.49Å; V43-I111 HydrophobicContact CB-CD1 4.19Å; V43-I111 HydrophobicContact CG2-CD1 3.45Å; V43-I111 VanDerWaalsContact CG2-CD1 3.45Å; V43-I111 HydrophobicContact CG2-CG1 4.25Å; Y46-I111 HydrophobicContact CD1-CG2 4.23Å; Y46-I111 HydrophobicContact CD2-CG2 4.14Å; Y46-I111 HydrophobicContact CG-CG2 3.83Å; M106-I111 HydrophobicContact CB-CD1 4.09Å; M106-I111 HydrophobicContact CB-CG1 3.85Å; T107-I111 WeakPolarHBondContact O-CD1 3.4Å; T107-I111 VanDerWaalsContact O-CG1 3.32Å; T107-I111 WeakPolarHBondContact O-CG1 3.34Å; T107-I111 PolarHBondContact O-N 2.99Å; T107-I111 VanDerWaalsContact O-N 3.08Å; C108-I111 PolarHBondContact O-N 3.2Å; E109-I111 VanDerWaalsContact C-N 3.27Å; E109-I111 PolarHBondContact O-N 3.06Å; I111-N113 VanDerWaalsContact C-N 3.33Å; I111-N113 PolarHBondContact O-N 2.85Å; I111-W114 PolarHBondContact O-N 3.19Å; I111-I115 HydrophobicContact CG2-CD1 3.77Å; I111-I115 HydrophobicContact CG2-CG1 4.44Å; I111-I115 WeakPolarHBondContact O-CB 3.45Å; I111-I115 VanDerWaalsContact O-CG1 3.31Å; I111-I115 WeakPolarHBondContact O-CG1 3.38Å; I111-I115 PolarHBondContact O-N 2.89Å
112A96.9Very high95.1Very high29 Ų2969.6 Ų69.624%0.2434%0.335CS..Hα-helixtrans-59.6-44.3174.100000111.6Y46 C108 E109 I115 N116Y46-A112 HydrophobicContact CD2-CB 3.99Å; Y46-A112 HydrophobicContact CE2-CB 3.65Å; C108-A112 PolarHBondContact O-N 3.03Å; E109-A112 WeakPolarHBondContact O-CB 3.48Å; E109-A112 PolarHBondContact O-N 3.38Å; A112-I115 PolarHBondContact O-N 3.37Å; A112-N116 WeakPolarHBondContact O-CB 3.42Å; A112-N116 PolarHBondContact O-N 2.81Å
113N97.2Very high94.7Very high111 Ų11159.7 Ų59.759%0.59430%0.299SS*.Hα-helixtrans-62.2-43.8175.8-72.2-27.7000111.9E109 E110 I111 N116 F117E109-N113 PolarHBondContact O-N 2.81Å; E109-N113 PolarHBondContact O-ND2 3.22Å; E110-N113 PolarHBondContact O-N 3Å; I111-N113 VanDerWaalsContact C-N 3.33Å; I111-N113 PolarHBondContact O-N 2.85Å; N113-N116 PolarHBondContact O-N 3.29Å; N113-F117 WeakPolarHBondContact O-CB 3.38Å; N113-F117 PolarHBondContact O-N 3.19Å
114W96.9Very high94.4Very high100 Ų10060.9 Ų60.938%0.37931%0.306SS..Hα-helixtrans-63.3-40.8175.3-83.1113.5000112.6L75 V101 E110 I111 F117 L118L75-W114 HydrophobicContact CD1-CB 4.3Å; V101-W114 HydrophobicContact CG1-CD2 3.9Å; V101-W114 HydrophobicContact CG1-CE3 4.12Å; V101-W114 HydrophobicContact CG1-CG 4.09Å; V101-W114 HydrophobicContact CG2-CE3 4.16Å; E110-W114 PolarHBondContact O-N 3.25Å; I111-W114 PolarHBondContact O-N 3.19Å; W114-F117 AromaticContact CE3-CD1 3.81Å; W114-F117 HydrophobicContact CE3-CD1 3.81Å; W114-F117 HydrophobicContact CE3-CE1 4.36Å; W114-F117 AromaticContact CZ3-CD1 3.78Å; W114-F117 HydrophobicContact CZ3-CD1 3.78Å; W114-F117 AromaticContact CZ3-CE1 3.87Å; W114-F117 HydrophobicContact CZ3-CE1 3.87Å; W114-F117 WeakPolarHBondContact O-CB 3.41Å; W114-F117 PolarHBondContact O-N 3.12Å; W114-L118 VanDerWaalsContact O-CG 3.25Å; W114-L118 WeakPolarHBondContact O-CG 3.39Å; W114-L118 PolarHBondContact O-N 2.92Å
115I96.4Very high94Very high2 Ų260 Ų601%0.0131%0.307CS..Hα-helixtrans-67.1-41.7177.7-71.2170.4000110.6I29 L31 Y46 F54 L75 I111 A112 F117 L118 R119I29-I115 HydrophobicContact CD1-CG1 4.01Å; I29-I115 HydrophobicContact CD1-CG2 4.12Å; L31-I115 HydrophobicContact CD2-CD1 4.12Å; Y46-I115 HydrophobicContact CD1-CD1 3.68Å; Y46-I115 HydrophobicContact CE1-CD1 3.14Å; Y46-I115 HydrophobicContact CE2-CD1 4.08Å; Y46-I115 HydrophobicContact CG-CD1 4.34Å; F54-I115 HydrophobicContact CD1-CG2 4.32Å; F54-I115 HydrophobicContact CD2-CG2 3.95Å; F54-I115 HydrophobicContact CE1-CG2 3.94Å; F54-I115 HydrophobicContact CE2-CG2 3.5Å; F54-I115 VanDerWaalsContact CE2-CG2 3.5Å; F54-I115 HydrophobicContact CG-CG2 4.34Å; F54-I115 HydrophobicContact CZ-CG2 3.5Å; L75-I115 HydrophobicContact CD1-CG1 4.27Å; I111-I115 HydrophobicContact CG2-CD1 3.77Å; I111-I115 HydrophobicContact CG2-CG1 4.44Å; I111-I115 WeakPolarHBondContact O-CB 3.45Å; I111-I115 VanDerWaalsContact O-CG1 3.31Å; I111-I115 WeakPolarHBondContact O-CG1 3.38Å; I111-I115 PolarHBondContact O-N 2.89Å; A112-I115 PolarHBondContact O-N 3.37Å; I115-F117 VanDerWaalsContact C-N 3.33Å; I115-F117 PolarHBondContact O-N 3.34Å; I115-L118 PolarHBondContact O-N 3.49Å; I115-R119 WeakPolarHBondContact O-CB 3.34Å; I115-R119 PolarHBondContact O-N 3.21Å
116N95.9Very high93.7Very high69 Ų6961.2 Ų61.237%0.36931%0.312SS..Hα-helixtrans-64.5-38.2174.2-170.828.3000112A112 N113 R119 T120A112-N116 WeakPolarHBondContact O-CB 3.42Å; A112-N116 PolarHBondContact O-N 2.81Å; N113-N116 PolarHBondContact O-N 3.29Å; N116-R119 WeakPolarHBondContact O-CB 3.42Å; N116-R119 PolarHBondContact O-N 3.22Å; N116-R119 PolarHBondContact OD1-NE 3.36Å; N116-R119 VanDerWaalsContact OD1-NE 3.12Å; N116-R119 PolarHBondContact OD1-NH2 2.89Å; N116-T120 WeakPolarHBondContact O-CG2 3.37Å; N116-T120 PolarHBondContact O-N 3.35Å; N116-T120 PolarHBondContact O-OG1 3.44Å
117F96Very high93.3Very high84 Ų8463.4 Ų63.437%0.36832%0.321SS..Hα-helixtrans-60.9-49.9171.7175.7-106.4000111.1N113 W114 I115 R119 T120 R121N113-F117 WeakPolarHBondContact O-CB 3.38Å; N113-F117 PolarHBondContact O-N 3.19Å; W114-F117 AromaticContact CE3-CD1 3.81Å; W114-F117 HydrophobicContact CE3-CD1 3.81Å; W114-F117 HydrophobicContact CE3-CE1 4.36Å; W114-F117 AromaticContact CZ3-CD1 3.78Å; W114-F117 HydrophobicContact CZ3-CD1 3.78Å; W114-F117 AromaticContact CZ3-CE1 3.87Å; W114-F117 HydrophobicContact CZ3-CE1 3.87Å; W114-F117 WeakPolarHBondContact O-CB 3.41Å; W114-F117 PolarHBondContact O-N 3.12Å; I115-F117 VanDerWaalsContact C-N 3.33Å; I115-F117 PolarHBondContact O-N 3.34Å; F117-R119 PolarHBondContact O-N 3Å; F117-T120 PolarHBondContact O-N 3.14Å; F117-T120 PolarHBondContact O-OG1 3.36Å; F117-R121 HydrophobicContact CD2-CG 4.45Å; F117-R121 HydrophobicContact CE1-CG 4.33Å; F117-R121 HydrophobicContact CE2-CG 4.19Å; F117-R121 VanDerWaalsContact CZ-CD 3.48Å; F117-R121 HydrophobicContact CZ-CG 4.16Å; F117-R121 WeakPolarHBondContact O-CG 3.46Å; F117-R121 PolarHBondContact O-N 3.1Å
118L95.1Very high93Very high0 Ų062.8 Ų62.80%032%0.317CS..Hα-helixtrans-59.7-37177.9-69.8171.2000112I29 L75 A77 Y79 Q99 V101 W114 I115I29-L118 HydrophobicContact CD1-CD1 4.27Å; L75-L118 HydrophobicContact CB-CD1 4.36Å; A77-L118 HydrophobicContact CB-CB 4.19Å; A77-L118 HydrophobicContact CB-CD1 4.05Å; A77-L118 HydrophobicContact CB-CD2 3.86Å; A77-L118 HydrophobicContact CB-CG 4.24Å; Y79-L118 VanDerWaalsContact CE1-O 3.3Å; Y79-L118 WeakPolarHBondContact CE1-O 3.1Å; Y79-L118 WeakPolarHBondContact OH-CA 3.37Å; Y79-L118 PolarHBondContact OH-O 2.96Å; Q99-L118 HydrophobicContact CB-CD2 4.08Å; Q99-L118 HydrophobicContact CG-CD2 3.84Å; V101-L118 HydrophobicContact CG2-CD1 4.03Å; V101-L118 HydrophobicContact CG2-CD2 4.09Å; V101-L118 HydrophobicContact CG2-CG 4.39Å; W114-L118 VanDerWaalsContact O-CG 3.25Å; W114-L118 WeakPolarHBondContact O-CG 3.39Å; W114-L118 PolarHBondContact O-N 2.92Å; I115-L118 PolarHBondContact O-N 3.49Å
119R94.1Very high92.6Very high97 Ų9764.7 Ų64.737%0.36633%0.326SS..Hα-helixtrans-62.9-44.8175.3-177.9-171.468.9121.70.3113.1L26 F54 N58 I115 N116 F117 R121L26-R119 HydrophobicContact CD2-CB 4.26Å; F54-R119 HydrophobicContact CE2-CB 4.41Å; F54-R119 HydrophobicContact CZ-CB 4.39Å; N58-R119 WeakPolarHBondContact OD1-CD 3.31Å; N58-R119 PolarHBondContact OD1-NH1 3.3Å; I115-R119 WeakPolarHBondContact O-CB 3.34Å; I115-R119 PolarHBondContact O-N 3.21Å; N116-R119 WeakPolarHBondContact O-CB 3.42Å; N116-R119 PolarHBondContact O-N 3.22Å; N116-R119 PolarHBondContact OD1-NE 3.36Å; N116-R119 VanDerWaalsContact OD1-NE 3.12Å; N116-R119 PolarHBondContact OD1-NH2 2.89Å; F117-R119 PolarHBondContact O-N 3Å; R119-R121 VanDerWaalsContact C-N 3.3Å; R119-R121 PolarHBondContact O-N 2.97Å
120T92.7Very high92.3Very high95 Ų9564.2 Ų64.258%0.58332%0.319SS*.Hα-helixtrans-77.3-16.5-175.450.30000113.3N116 F117N116-T120 WeakPolarHBondContact O-CG2 3.37Å; N116-T120 PolarHBondContact O-N 3.35Å; N116-T120 PolarHBondContact O-OG1 3.44Å; F117-T120 PolarHBondContact O-N 3.14Å; F117-T120 PolarHBondContact O-OG1 3.36Å
121R91.4Very high92Very high48 Ų4864.1 Ų64.118%0.18132%0.317CS..  trans-76156.2179.6-74.1-160.291.5-143.4-7.6113.9Y79 F117 R119 V124 I126Y79-R121 HydrophobicContact CE1-CB 4.05Å; Y79-R121 VanDerWaalsContact CE1-O 3.3Å; Y79-R121 WeakPolarHBondContact CE1-O 3.35Å; F117-R121 HydrophobicContact CD2-CG 4.45Å; F117-R121 HydrophobicContact CE1-CG 4.33Å; F117-R121 HydrophobicContact CE2-CG 4.19Å; F117-R121 VanDerWaalsContact CZ-CD 3.48Å; F117-R121 HydrophobicContact CZ-CG 4.16Å; F117-R121 WeakPolarHBondContact O-CG 3.46Å; F117-R121 PolarHBondContact O-N 3.1Å; R119-R121 VanDerWaalsContact C-N 3.3Å; R119-R121 PolarHBondContact O-N 2.97Å; R121-V124 PolarHBondContact NH2-O 3.05Å; R121-I126 VanDerWaalsContact CZ-CG1 3.48Å; R121-I126 VanDerWaalsContact NH1-CG1 3.26Å
122S88.1Confident91.7Very high37 Ų3773 Ų7326%0.25935%0.351SS..  trans-83.9-20.6176.850.50000114.7F82 V124F82-S122 VanDerWaalsContact CE2-O 3.28Å; F82-S122 WeakPolarHBondContact CE2-O 3.44Å; F82-S122 VanDerWaalsContact CZ-O 3.26Å; F82-S122 WeakPolarHBondContact CZ-O 3.38Å; S122-V124 PolarHBondContact OG-N 3.32Å
123G87.5Confident91.5Very high4 Ų479.2 Ų79.24%0.04137%0.369CS..  trans84.15.2-169.600000115N97N97-G123 VanDerWaalsContact CB-O 3.3Å; N97-G123 WeakPolarHBondContact CB-O 3.49Å; N97-G123 PolarHBondContact ND2-O 3.2Å
124V85.9Confident91Very high26 Ų2677.5 Ų77.516%0.15837%0.365CS..  trans-68.3142.5170.6-176.80000110Y12 F82 R121 S122Y12-V124 HydrophobicContact CE1-CG1 4.08Å; Y12-V124 HydrophobicContact CE2-CG2 4.28Å; F82-V124 HydrophobicContact CE1-CG2 3.69Å; F82-V124 HydrophobicContact CE2-CG2 4.19Å; F82-V124 HydrophobicContact CZ-CG2 3.36Å; R121-V124 PolarHBondContact NH2-O 3.05Å; S122-V124 PolarHBondContact OG-N 3.32Å
125N85.7Confident90.7Very high90 Ų9076.1 Ų76.148%0.48137%0.368SS..  trans-54.8138.4176.7-68.2-28000111.3F127N125-F127 HydrophobicContact CB-CD2 3.65Å; N125-F127 HydrophobicContact CB-CE2 3.39Å; N125-F127 HydrophobicContact CB-CG 4.41Å; N125-F127 HydrophobicContact CB-CZ 3.95Å; N125-F127 PolarHBondContact O-N 2.87Å; N125-F127 VanDerWaalsContact O-N 3.11Å
126I87.6Confident90.3Very high119 Ų11985.3 Ų85.361%0.6141%0.408SS*.  trans-81.792.3178.1-56.3166.9000107.8R121R121-I126 VanDerWaalsContact CZ-CG1 3.48Å; R121-I126 VanDerWaalsContact NH1-CG1 3.26Å
127F87.5Confident90.1Very high88 Ų8892.1 Ų92.139%0.38643%0.429SS..  trans-124.6157174.2-65.8-43.7000110.8P7 A9 N125 I129P7-F127 HydrophobicContact CG-CD1 4.11Å; P7-F127 HydrophobicContact CG-CD2 4.46Å; P7-F127 HydrophobicContact CG-CE1 3.95Å; P7-F127 HydrophobicContact CG-CE2 4.29Å; P7-F127 HydrophobicContact CG-CG 4.39Å; P7-F127 HydrophobicContact CG-CZ 4.04Å; A9-F127 HydrophobicContact CB-CB 4.12Å; N125-F127 HydrophobicContact CB-CD2 3.65Å; N125-F127 HydrophobicContact CB-CE2 3.39Å; N125-F127 HydrophobicContact CB-CG 4.41Å; N125-F127 HydrophobicContact CB-CZ 3.95Å; N125-F127 PolarHBondContact O-N 2.87Å; N125-F127 VanDerWaalsContact O-N 3.11Å; F127-I129 PolarHBondContact O-N 3.35Å
128P89.7Confident90Very high58 Ų5892.9 Ų92.938%0.37744%0.442SS..  trans-54.3127.1170.4-23.533.7000110.6R8 A9R8-P128 CarbonylContact C-O 3.54Å; R8-P128 VanDerWaalsContact CA-O 3.27Å; R8-P128 WeakPolarHBondContact CA-O 3.48Å; R8-P128 HydrophobicContact CG-CB 4.48Å; A9-P128 PolarHBondContact N-O 2.97Å
129I89.9Confident90Very high63 Ų6395.4 Ų95.432%0.32346%0.46SS..BIsolated β-bridgetrans-83.3126.3-179.8-61.9175000108.5A9 L11 F127 K131 Y132A9-I129 CarbonylContact O-C 3.58Å; A9-I129 WeakPolarHBondContact O-CA 3.27Å; L11-I129 HydrophobicContact CB-CG2 4.25Å; F127-I129 PolarHBondContact O-N 3.35Å; I129-K131 WeakPolarHBondContact CG2-O 3.36Å; I129-Y132 HydrophobicContact CB-CD1 4.3Å; I129-Y132 HydrophobicContact CB-CE1 4.08Å; I129-Y132 HydrophobicContact CG2-CD1 4.1Å; I129-Y132 HydrophobicContact CG2-CE1 4.36Å
130Y89.4Confident90.2Very high141 Ų14199 Ų9955%0.55349%0.485SS*.SBendtrans-72.7-43.8178.3177.3-124.1000112.4A9A9-Y130 PolarHBondContact O-N 3.41Å
131K91Very high90.2Very high86 Ų86102.8 Ų102.837%0.37450%0.495SS..  trans-132.5125.8178-70-178.6179-177.30110.1L11 I129 W133L11-K131 WeakPolarHBondContact CB-O 3.27Å; I129-K131 WeakPolarHBondContact CG2-O 3.36Å; K131-W133 HydrophobicContact CD-CZ2 4.4Å; K131-W133 PolarHBondContact O-N 2.97Å
132Y91.7Very high90.2Very high185 Ų185102.7 Ų102.773%0.72551%0.509SS*.SBendtrans-78.47178.5-60.6-70.7000114.1L11 I129L11-Y132 VanDerWaalsContact CD2-O 3.22Å; L11-Y132 WeakPolarHBondContact CD2-O 3.41Å; I129-Y132 HydrophobicContact CB-CD1 4.3Å; I129-Y132 HydrophobicContact CB-CE1 4.08Å; I129-Y132 HydrophobicContact CG2-CD1 4.1Å; I129-Y132 HydrophobicContact CG2-CE1 4.36Å
133W91.2Very high90.4Very high160 Ų160107.6 Ų107.661%0.60653%0.53SS*.  trans-136.8153.2175.659.5-92.9000109.5K131 T135K131-W133 HydrophobicContact CD-CZ2 4.4Å; K131-W133 PolarHBondContact O-N 2.97Å; W133-T135 HydrophobicContact CE3-CG2 4.38Å; W133-T135 HydrophobicContact CZ3-CG2 4.01Å
134S88.2Confident90.7Very high75 Ų75116.3 Ų116.352%0.52456%0.562SS.*  trans-151130.3179.6-174.70000109.3L11L11-S134 WeakPolarHBondContact O-CB 3.23Å; L11-S134 PolarHBondContact O-OG 3.08Å; L11-S134 VanDerWaalsContact O-OG 3.05Å
135T89.9Confident90.9Very high72 Ų72119.4 Ų119.444%0.44257%0.574SS.*  trans-135.5140.3177.3179.70000109.5W133 R137 P138W133-T135 HydrophobicContact CE3-CG2 4.38Å; W133-T135 HydrophobicContact CZ3-CG2 4.01Å; T135-R137 VanDerWaalsContact C-N 3.27Å; T135-R137 PolarHBondContact OG1-N 3Å; T135-R137 PolarHBondContact OG1-O 3.26Å; T135-P138 HydrophobicContact CG2-CB 4.09Å
136K87.8Confident91Very high195 Ų195119.8 Ų119.885%0.84858%0.582SS**SBendtrans-78.7-16.1170.3-64.8-173.6178.7-174.80112.1
137R92.2Very high90.8Very high212 Ų212122.5 Ų122.580%0.859%0.589SS**  trans-132.188.2-177-65-177.8-176.9161.6-0.7108.6T135 S139T135-R137 VanDerWaalsContact C-N 3.27Å; T135-R137 PolarHBondContact OG1-N 3Å; T135-R137 PolarHBondContact OG1-O 3.26Å; R137-S139 VanDerWaalsContact C-N 3.33Å
138P94Very high90.4Very high100 Ų100124 Ų12465%0.64959%0.593SS**SBendtrans-73.1-22.4-176.828.1-34.5000113.8T135T135-P138 HydrophobicContact CG2-CB 4.09Å
139S95.6Very high89.6Confident52 Ų52128.3 Ų128.336%0.36461%0.609SS.*  trans-132151.4175.8-177.70000111.6R137 Q141 G142R137-S139 VanDerWaalsContact C-N 3.33Å; S139-Q141 PolarHBondContact OG-N 3.26Å; S139-G142 PolarHBondContact OG-N 3.4Å; S139-G142 VanDerWaalsContact OG-N 3.17Å; S139-G142 PolarHBondContact OG-O 2.88Å
140I96.4Very high88.5Confident174 Ų174129.8 Ų129.889%0.89262%0.622SS**SBendtrans-102.7-41.1176.3-60.4171.2000110.8
141Q94.1Very high87.1Confident173 Ų173128.2 Ų128.281%0.80862%0.623SS**SBendtrans-95.4-2.9-175.1-66.9175-14.600113.6S139S139-Q141 PolarHBondContact OG-N 3.26Å
142G90.8Very high85.7Confident46 Ų46133.5 Ų133.547%0.47464%0.642SS.*  trans112.6151.6-17100000111.5S139S139-G142 PolarHBondContact OG-N 3.4Å; S139-G142 VanDerWaalsContact OG-N 3.17Å; S139-G142 PolarHBondContact OG-O 2.88Å
143M93.2Very high84Confident141 Ų141132.1 Ų132.170%0.69565%0.647SS**  trans-82.1140.1177.7-168.1134.264.400109.2H145M143-H145 PolarHBondContact O-N 2.98Å
144W92.6Very high82.4Confident187 Ų187132.5 Ų132.571%0.70866%0.655SS**  trans-56.7134.1174.8-176.992.5000110.3P146W144-P146 HydrophobicContact CH2-CB 4.43Å; W144-P146 HydrophobicContact CH2-CG 4.11Å; W144-P146 HydrophobicContact CZ3-CG 4.12Å
145H90.6Very high80.9Confident90 Ų90132.7 Ų132.742%0.41765%0.653SS.*  trans-136.5155.3171.35777.9000109M143 F147 Y148M143-H145 PolarHBondContact O-N 2.98Å; H145-F147 VanDerWaalsContact CE1-C 3.44Å; H145-F147 VanDerWaalsContact ND1-C 3.34Å; H145-F147 PolarHBondContact ND1-N 2.87Å; H145-F147 PolarHBondContact O-N 3Å; H145-Y148 PolarHBondContact CE1-N 3.35Å; H145-Y148 PolarHBondContact ND1-N 3.3Å; H145-Y148 AromaticContact NE2-CD2 3.89Å; H145-Y148 VanDerWaalsContact O-CB 3.23Å; H145-Y148 WeakPolarHBondContact O-CB 3.45Å; H145-Y148 PolarHBondContact O-N 3.25Å
146P87.9Confident79.7Confident98 Ų98136.6 Ų136.664%0.63667%0.67SS**THydrogen-bonded Turntrans-55.7-24.9-175.7-28.936.1000115.1W144W144-P146 HydrophobicContact CH2-CB 4.43Å; W144-P146 HydrophobicContact CH2-CG 4.11Å; W144-P146 HydrophobicContact CZ3-CG 4.12Å
147F83.8Confident79Confident177 Ų177135 Ų13578%0.77667%0.67SS**THydrogen-bonded Turntrans-91.612.7178.4-50.1-71.5000114.8H145H145-F147 VanDerWaalsContact CE1-C 3.44Å; H145-F147 VanDerWaalsContact ND1-C 3.34Å; H145-F147 PolarHBondContact ND1-N 2.87Å; H145-F147 PolarHBondContact O-N 3Å
148Y78.2Confident78.3Confident119 Ų119130 Ų13047%0.46765%0.654SS.*SBendtrans-71-38.9-173.7-171.1-93.3000112.3H145 P150H145-Y148 PolarHBondContact CE1-N 3.35Å; H145-Y148 PolarHBondContact ND1-N 3.3Å; H145-Y148 AromaticContact NE2-CD2 3.89Å; H145-Y148 VanDerWaalsContact O-CB 3.23Å; H145-Y148 WeakPolarHBondContact O-CB 3.45Å; H145-Y148 PolarHBondContact O-N 3.25Å; Y148-P150 WeakPolarHBondContact O-CD 3.16Å
149E73.4Confident77.8Confident149 Ų149128.4 Ų128.470%0.69664%0.642SS**SBendtrans-81.8109.6169.2-70.6176.7-170.800107.7L151E149-L151 PolarHBondContact O-N 3.42Å; E149-L151 VanDerWaalsContact O-N 3.11Å
150P66.2Low77.3Confident93 Ų93130.7 Ų130.760%0.60466%0.656SS**  trans-56.9123.916224.7-31000105.8Y148 Y152Y148-P150 WeakPolarHBondContact O-CD 3.16Å; P150-Y152 HydrophobicContact CB-CD2 4.4Å; P150-Y152 HydrophobicContact CG-CD2 4.05Å; P150-Y152 PolarHBondContact O-N 3.04Å
151L61.3Low76.9Confident109 Ų109128.7 Ų128.757%0.57165%0.647SS**  trans-63.378.8170-69.7162.3000106.7E149 N153 Q154 T155E149-L151 PolarHBondContact O-N 3.42Å; E149-L151 VanDerWaalsContact O-N 3.11Å; L151-N153 PolarHBondContact O-N 3.5Å; L151-Q154 PolarHBondContact O-N 2.81Å; L151-T155 WeakPolarHBondContact CD1-OG1 3.47Å
152Y59.8Low76.6Confident197 Ų197124.7 Ų124.777%0.77363%0.628SS**THydrogen-bonded Turntrans-62.9-12.1-164.1-146.4-91.7000111P150P150-Y152 HydrophobicContact CB-CD2 4.4Å; P150-Y152 HydrophobicContact CG-CD2 4.05Å; P150-Y152 PolarHBondContact O-N 3.04Å
153N56.4Low76.4Confident155 Ų155126.3 Ų126.383%0.82963%0.625SS**THydrogen-bonded Turntrans-151.417.5178.3-77.9-42.3000116.4L151L151-N153 PolarHBondContact O-N 3.5Å
154Q57.2Low76.2Confident169 Ų169124.4 Ų124.479%0.7962%0.622SS**THydrogen-bonded Turntrans-137.45.1-169-72.6-172.4-12.500118.6L151L151-Q154 PolarHBondContact O-N 2.81Å
155T57.9Low75.9Confident79 Ų79124 Ų12449%0.48562%0.62SS.*  trans-144.792.6168.8-50.10000110.4L151 L157L151-T155 WeakPolarHBondContact CD1-OG1 3.47Å; T155-L157 PolarHBondContact O-N 3.25Å
156I64.4Low75.7Confident153 Ų153122 Ų12279%0.78561%0.612SS**  trans-49.2128.7155.3-59.7165.7000105.5K158I156-K158 PolarHBondContact O-N 2.85Å
157L72.2Confident75.6Confident162 Ų162121.7 Ų121.785%0.84860%0.604SS**  trans-50.4108.9172.6-73.1171.9000107.3T155 T159T155-L157 PolarHBondContact O-N 3.25Å; L157-T159 PolarHBondContact O-N 3.12Å
158K77.9Confident75.6Confident106 Ų106114.9 Ų114.946%0.46158%0.584SS.*  trans-60.2130-177.6-70-176.4175.2-173.50107.8I156 E162 I163 N166I156-K158 PolarHBondContact O-N 2.85Å; K158-E162 VanDerWaalsContact CA-OE2 3.25Å; K158-E162 WeakPolarHBondContact CA-OE2 3.37Å; K158-E162 HydrophobicContact CB-CB 4.19Å; K158-I163 HydrophobicContact CB-CD1 4.29Å; K158-I163 HydrophobicContact CB-CG1 3.69Å; K158-N166 PolarHBondContact NZ-ND2 2.88Å
159T83.6Confident75.8Confident67 Ų67114 Ų11441%0.41158%0.584SS.*  trans-63152.7175.162.40000109.3L157 N161 E162 I163L157-T159 PolarHBondContact O-N 3.12Å; T159-N161 PolarHBondContact O-N 2.93Å; T159-E162 PolarHBondContact N-OE2 3.48Å; T159-E162 WeakPolarHBondContact O-CB 3.26Å; T159-E162 PolarHBondContact O-N 3.48Å; T159-E162 WeakPolarHBondContact OG1-CG 3.28Å; T159-E162 PolarHBondContact OG1-N 3.02Å; T159-I163 PolarHBondContact O-N 3.08Å
160P86.3Confident76.1Confident100 Ų100114 Ų11465%0.64959%0.588SS**Hα-helixtrans-50.5-35.9177.7-29.736000113.2I163 V164P160-I163 PolarHBondContact O-N 2.98Å; P160-V164 WeakPolarHBondContact O-CG2 3.42Å; P160-V164 PolarHBondContact O-N 3.25Å
161N88.3Confident76.7Confident133 Ų133113.9 Ų113.971%0.71159%0.589SS**Hα-helixtrans-66.7-40.6176.9-65.8-16.7000112.8T159 I163 V164 R165T159-N161 PolarHBondContact O-N 2.93Å; N161-I163 VanDerWaalsContact C-N 3.31Å; N161-V164 PolarHBondContact O-N 3.47Å; N161-R165 WeakPolarHBondContact O-CB 3.44Å; N161-R165 PolarHBondContact O-N 3.41Å
162E87.1Confident77.3Confident88 Ų88115.3 Ų115.341%0.41159%0.593SS.*Hα-helixtrans-66.3-35.6174.6-73.8168178.100111.9K158 T159 R165 N166K158-E162 VanDerWaalsContact CA-OE2 3.25Å; K158-E162 WeakPolarHBondContact CA-OE2 3.37Å; K158-E162 HydrophobicContact CB-CB 4.19Å; T159-E162 PolarHBondContact N-OE2 3.48Å; T159-E162 WeakPolarHBondContact O-CB 3.26Å; T159-E162 PolarHBondContact O-N 3.48Å; T159-E162 WeakPolarHBondContact OG1-CG 3.28Å; T159-E162 PolarHBondContact OG1-N 3.02Å; E162-R165 PolarHBondContact O-N 3.02Å; E162-N166 WeakPolarHBondContact O-CB 3.39Å; E162-N166 PolarHBondContact O-N 3.05Å; E162-N166 PolarHBondContact O-ND2 3.12Å
163I86.4Confident77.6Confident80 Ų80111.9 Ų111.941%0.4159%0.592SS.*Hα-helixtrans-63.4-50.2174.8-63.1172.1000109.4K158 T159 P160 N161 R165 N166 I167K158-I163 HydrophobicContact CB-CD1 4.29Å; K158-I163 HydrophobicContact CB-CG1 3.69Å; T159-I163 PolarHBondContact O-N 3.08Å; P160-I163 PolarHBondContact O-N 2.98Å; N161-I163 VanDerWaalsContact C-N 3.31Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 3.05Å; I163-N166 PolarHBondContact O-N 3.07Å; I163-I167 HydrophobicContact CG2-CD1 3.82Å; I163-I167 HydrophobicContact CG2-CG1 4.47Å; I163-I167 VanDerWaalsContact O-CG1 3.3Å; I163-I167 WeakPolarHBondContact O-CG1 3.24Å; I163-I167 PolarHBondContact O-N 3.12Å
164V88.2Confident78.1Confident102 Ų102113.3 Ų113.362%0.61859%0.591SS**Hα-helixtrans-58.6-43.2177.11730000111.4P160 N161 I167 G168P160-V164 WeakPolarHBondContact O-CG2 3.42Å; P160-V164 PolarHBondContact O-N 3.25Å; N161-V164 PolarHBondContact O-N 3.47Å; V164-I167 PolarHBondContact O-N 3.02Å; V164-G168 PolarHBondContact O-N 3.26Å
165R88Confident78.4Confident178 Ų178114 Ų11467%0.67260%0.595SS**Hα-helixtrans-62.4-45.2177.2-174.2-179.3178.8-177.11112.3N161 E162 I163 I167 G168 Q169N161-R165 WeakPolarHBondContact O-CB 3.44Å; N161-R165 PolarHBondContact O-N 3.41Å; E162-R165 PolarHBondContact O-N 3.02Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 3.05Å; R165-I167 VanDerWaalsContact C-N 3.35Å; R165-G168 PolarHBondContact O-N 3.35Å; R165-Q169 PolarHBondContact O-N 3.21Å
166N85.9Confident78.7Confident48 Ų48115.9 Ų115.926%0.25760%0.601SS.*Hα-helixtrans-64.2-40.8177.7-73.6-39.9000111.4K158 E162 I163 G168 Q169 L170K158-N166 PolarHBondContact NZ-ND2 2.88Å; E162-N166 WeakPolarHBondContact O-CB 3.39Å; E162-N166 PolarHBondContact O-N 3.05Å; E162-N166 PolarHBondContact O-ND2 3.12Å; I163-N166 PolarHBondContact O-N 3.07Å; N166-G168 VanDerWaalsContact C-N 3.31Å; N166-G168 PolarHBondContact O-N 3.05Å; N166-Q169 PolarHBondContact O-N 3.32Å; N166-L170 VanDerWaalsContact O-CG 3.3Å; N166-L170 WeakPolarHBondContact O-CG 3.48Å; N166-L170 PolarHBondContact O-N 3.38Å
167I85Confident79.1Confident91 Ų91118 Ų11847%0.46761%0.608SS.*Hα-helixtrans-59.6-45.5173.7-68.6166.7000109.6I163 V164 R165 Q169 L170 C171I163-I167 HydrophobicContact CG2-CD1 3.82Å; I163-I167 HydrophobicContact CG2-CG1 4.47Å; I163-I167 VanDerWaalsContact O-CG1 3.3Å; I163-I167 WeakPolarHBondContact O-CG1 3.24Å; I163-I167 PolarHBondContact O-N 3.12Å; V164-I167 PolarHBondContact O-N 3.02Å; R165-I167 VanDerWaalsContact C-N 3.35Å; I167-Q169 VanDerWaalsContact C-N 3.3Å; I167-Q169 PolarHBondContact O-N 3.31Å; I167-L170 PolarHBondContact O-N 2.99Å; I167-C171 VanDerWaalsContact O-CB 3.3Å; I167-C171 WeakPolarHBondContact O-CB 3.33Å; I167-C171 PolarHBondContact O-N 3.2Å; I167-C171 PolarHBondContact O-SG 2.86Å
168G83.7Confident79.5Confident35 Ų35114.4 Ų114.436%0.36159%0.589SS.*Hα-helixtrans-56.6-41.3175.700000113.3V164 R165 N166 Q172V164-G168 PolarHBondContact O-N 3.26Å; R165-G168 PolarHBondContact O-N 3.35Å; N166-G168 VanDerWaalsContact C-N 3.31Å; N166-G168 PolarHBondContact O-N 3.05Å; G168-Q172 WeakPolarHBondContact O-CG 3.34Å; G168-Q172 PolarHBondContact O-N 3.16Å
169Q82.5Confident79.9Confident99 Ų99112.1 Ų112.146%0.46359%0.586SS.*Hα-helixtrans-68.8-40.6175.8-71175.4-23.100112.8R165 N166 I167 C171 Q172R165-Q169 PolarHBondContact O-N 3.21Å; N166-Q169 PolarHBondContact O-N 3.32Å; I167-Q169 VanDerWaalsContact C-N 3.3Å; I167-Q169 PolarHBondContact O-N 3.31Å; Q169-C171 VanDerWaalsContact C-N 3.33Å; Q169-Q172 WeakPolarHBondContact O-CB 3.11Å; Q169-Q172 PolarHBondContact O-N 3.15Å
170L79.7Confident80Confident149 Ų149112.2 Ų112.278%0.7859%0.594SS**Hα-helixtrans-72-29.6178.7-68.1171.3000112.5N166 I167 Q172N166-L170 VanDerWaalsContact O-CG 3.3Å; N166-L170 WeakPolarHBondContact O-CG 3.48Å; N166-L170 PolarHBondContact O-N 3.38Å; I167-L170 PolarHBondContact O-N 2.99Å; L170-Q172 VanDerWaalsContact C-N 3.28Å
171C78.9Confident80.2Confident92 Ų92114.2 Ų114.262%0.62260%0.595SS**Hα-helixtrans-75.6-15.6174.5-73.80000113I167 Q169 T173I167-C171 VanDerWaalsContact O-CB 3.3Å; I167-C171 WeakPolarHBondContact O-CB 3.33Å; I167-C171 PolarHBondContact O-N 3.2Å; I167-C171 PolarHBondContact O-SG 2.86Å; Q169-C171 VanDerWaalsContact C-N 3.33Å; C171-T173 PolarHBondContact O-N 2.77Å
172Q74Confident80.4Confident139 Ų139112.4 Ų112.465%0.6558%0.582SS**SBendtrans-64.1106.4171.4-72.816728.100107.9G168 Q169 L170 K174G168-Q172 WeakPolarHBondContact O-CG 3.34Å; G168-Q172 PolarHBondContact O-N 3.16Å; Q169-Q172 WeakPolarHBondContact O-CB 3.11Å; Q169-Q172 PolarHBondContact O-N 3.15Å; L170-Q172 VanDerWaalsContact C-N 3.28Å; Q172-K174 PolarHBondContact O-N 3Å
173T66.3Low80.6Confident124 Ų124110.1 Ų110.176%0.76157%0.572SS**  trans-58110.6165.236.90000106.7C171 Q175C171-T173 PolarHBondContact O-N 2.77Å; T173-Q175 PolarHBondContact O-N 2.97Å
174K66.8Low80.8Confident185 Ų185111.8 Ų111.880%0.80458%0.581SS**  trans-52.2116.5157.4-77.9-174.8177.6-176.40104.7Q172 N176Q172-K174 PolarHBondContact O-N 3Å; K174-N176 PolarHBondContact O-N 3Å
175Q63.7Low81.1Confident185 Ų185112.1 Ų112.186%0.86458%0.579SS**  trans-59.897.5169-72.4-175.7-29.900104.9T173 E177T173-Q175 PolarHBondContact O-N 2.97Å; Q175-E177 PolarHBondContact O-N 2.93Å; Q175-E177 VanDerWaalsContact O-N 3.15Å
176N64.2Low81.4Confident117 Ų117108.7 Ų108.763%0.62657%0.571SS**  trans-61.5119.4166.9-84-9000104.4K174 L178 I183K174-N176 PolarHBondContact O-N 3Å; N176-L178 PolarHBondContact O-N 3.32Å; N176-L178 VanDerWaalsContact O-N 3.16Å; N176-I183 HydrophobicContact CB-CD1 4.49Å
177E73.2Confident81.7Confident198 Ų198112.4 Ų112.493%0.92559%0.585SS**SBendtrans-58.4-26.2178.6-63.5178.9166.400111.1Q175Q175-E177 PolarHBondContact O-N 2.93Å; Q175-E177 VanDerWaalsContact O-N 3.15Å
178L80.8Confident82.1Confident87 Ų87110.1 Ų110.146%0.45558%0.579SS.*SBendtrans-80.6132.7-179.9-61.5172.1000112N176 E182 I183N176-L178 PolarHBondContact O-N 3.32Å; N176-L178 VanDerWaalsContact O-N 3.16Å; L178-E182 VanDerWaalsContact CA-OE2 3.24Å; L178-E182 WeakPolarHBondContact CA-OE2 3.47Å; L178-E182 HydrophobicContact CB-CB 4.29Å; L178-E182 HydrophobicContact CD2-CB 4.34Å; L178-E182 WeakPolarHBondContact CD2-OE2 3.49Å; L178-I183 HydrophobicContact CB-CD1 4.3Å; L178-I183 HydrophobicContact CB-CG1 3.86Å; L178-I183 HydrophobicContact CD1-CG1 4.41Å
179S86.2Confident82.6Confident57 Ų57114.6 Ų114.640%0.39959%0.589SS.*  trans-59.1150.5168.5177.20000110.3E181 E182 I183S179-E181 PolarHBondContact O-N 3.31Å; S179-E181 VanDerWaalsContact O-N 3.12Å; S179-E181 PolarHBondContact OG-N 2.82Å; S179-E182 PolarHBondContact N-OE2 2.88Å; S179-E182 WeakPolarHBondContact O-CB 2.98Å; S179-E182 PolarHBondContact O-N 2.95Å; S179-I183 PolarHBondContact O-N 3.18Å; S179-I183 VanDerWaalsContact O-N 3.12Å
180A85.1Confident83Confident69 Ų69114.1 Ų114.157%0.5759%0.589SS**Hα-helixtrans-55.1-32.8175.800000112L184A180-L184 WeakPolarHBondContact O-CB 3.17Å; A180-L184 VanDerWaalsContact O-CG 3.27Å; A180-L184 WeakPolarHBondContact O-CG 3.35Å; A180-L184 PolarHBondContact O-N 3.02Å
181E90.8Very high83.5Confident142 Ų142113.1 Ų113.166%0.66458%0.58SS**Hα-helixtrans-65.2-42.8176.1-62.8-178.4170.300112.1S179 L184 L185S179-E181 PolarHBondContact O-N 3.31Å; S179-E181 VanDerWaalsContact O-N 3.12Å; S179-E181 PolarHBondContact OG-N 2.82Å; E181-L184 PolarHBondContact O-N 3.28Å; E181-L185 WeakPolarHBondContact O-CB 3.22Å; E181-L185 WeakPolarHBondContact O-CG 3.43Å; E181-L185 PolarHBondContact O-N 3.05Å
182E92.3Very high84Confident96 Ų96115.1 Ų115.145%0.44958%0.58SS.*Hα-helixtrans-65.4-42.4178.8-66173.8148.400110.8L178 S179 L184 L185 E186L178-E182 VanDerWaalsContact CA-OE2 3.24Å; L178-E182 WeakPolarHBondContact CA-OE2 3.47Å; L178-E182 HydrophobicContact CB-CB 4.29Å; L178-E182 HydrophobicContact CD2-CB 4.34Å; L178-E182 WeakPolarHBondContact CD2-OE2 3.49Å; S179-E182 PolarHBondContact N-OE2 2.88Å; S179-E182 WeakPolarHBondContact O-CB 2.98Å; S179-E182 PolarHBondContact O-N 2.95Å; E182-L184 VanDerWaalsContact C-N 3.31Å; E182-L184 PolarHBondContact O-N 3.33Å; E182-L185 PolarHBondContact O-N 3.22Å; E182-E186 WeakPolarHBondContact O-CB 3.3Å; E182-E186 PolarHBondContact O-N 2.91Å
183I90.5Very high84.6Confident40 Ų40115.8 Ų115.821%0.20558%0.578CS.*Hα-helixtrans-61.9-40.6175.4-63171.7000110.8N176 L178 S179 K187N176-I183 HydrophobicContact CB-CD1 4.49Å; L178-I183 HydrophobicContact CB-CD1 4.3Å; L178-I183 HydrophobicContact CB-CG1 3.86Å; L178-I183 HydrophobicContact CD1-CG1 4.41Å; S179-I183 PolarHBondContact O-N 3.18Å; S179-I183 VanDerWaalsContact O-N 3.12Å; I183-K187 HydrophobicContact CG2-CD 4.33Å; I183-K187 WeakPolarHBondContact O-CB 3.43Å; I183-K187 WeakPolarHBondContact O-CG 2.95Å; I183-K187 PolarHBondContact O-N 2.93Å
184L91.1Very high85.2Confident114 Ų114118.1 Ų118.160%0.59757%0.573SS**Hα-helixtrans-68-42.5177.6-74.9171.5000111.7A180 E181 E182 E186 K187 A188A180-L184 WeakPolarHBondContact O-CB 3.17Å; A180-L184 VanDerWaalsContact O-CG 3.27Å; A180-L184 WeakPolarHBondContact O-CG 3.35Å; A180-L184 PolarHBondContact O-N 3.02Å; E181-L184 PolarHBondContact O-N 3.28Å; E182-L184 VanDerWaalsContact C-N 3.31Å; E182-L184 PolarHBondContact O-N 3.33Å; L184-E186 VanDerWaalsContact C-N 3.35Å; L184-K187 PolarHBondContact O-N 3.23Å; L184-A188 WeakPolarHBondContact O-CB 3.3Å; L184-A188 PolarHBondContact O-N 3.37Å
185L94.6Very high85.9Confident109 Ų109115 Ų11557%0.57156%0.564SS**Hα-helixtrans-61.9-41.8175.4-78.3165000111.6E181 E182 A188 K189E181-L185 WeakPolarHBondContact O-CB 3.22Å; E181-L185 WeakPolarHBondContact O-CG 3.43Å; E181-L185 PolarHBondContact O-N 3.05Å; E182-L185 PolarHBondContact O-N 3.22Å; L185-A188 PolarHBondContact O-N 2.92Å; L185-K189 WeakPolarHBondContact O-CG 3.35Å; L185-K189 PolarHBondContact O-N 3.47Å
186E93.2Very high86.8Confident106 Ų106108.5 Ų108.550%0.49554%0.539SS..Hα-helixtrans-62.7-46.9175.6-171.9-177.6-173.100111.4E182 L184 A188 K189 L190E182-E186 WeakPolarHBondContact O-CB 3.3Å; E182-E186 PolarHBondContact O-N 2.91Å; L184-E186 VanDerWaalsContact C-N 3.35Å; E186-A188 VanDerWaalsContact C-N 3.31Å; E186-A188 PolarHBondContact O-N 2.9Å; E186-K189 PolarHBondContact O-N 3.24Å; E186-L190 HydrophobicContact CG-CD1 4.46Å; E186-L190 WeakPolarHBondContact O-CG 3.42Å; E186-L190 PolarHBondContact O-N 2.94Å
187K92.8Very high87.6Confident127 Ų127108.4 Ų108.455%0.55254%0.539SS*.Hα-helixtrans-60.9-39.2175.2-75.6177.3179.3178.80112.5I183 L184 L190 Q191I183-K187 HydrophobicContact CG2-CD 4.33Å; I183-K187 WeakPolarHBondContact O-CB 3.43Å; I183-K187 WeakPolarHBondContact O-CG 2.95Å; I183-K187 PolarHBondContact O-N 2.93Å; L184-K187 PolarHBondContact O-N 3.23Å; K187-L190 PolarHBondContact O-N 3.38Å; K187-Q191 PolarHBondContact O-N 3.36Å
188A93.8Very high87.6Confident42 Ų42105.9 Ų105.935%0.34753%0.531SS..Hα-helixtrans-64.8-43.5176.900000111.5L184 L185 E186 Q191 Q192L184-A188 WeakPolarHBondContact O-CB 3.3Å; L184-A188 PolarHBondContact O-N 3.37Å; L185-A188 PolarHBondContact O-N 2.92Å; E186-A188 VanDerWaalsContact C-N 3.31Å; E186-A188 PolarHBondContact O-N 2.9Å; A188-Q191 PolarHBondContact O-N 3.03Å; A188-Q192 WeakPolarHBondContact O-CG 3.23Å; A188-Q192 PolarHBondContact O-N 2.93Å
189K93.5Very high87.3Confident129 Ų129106.5 Ų106.556%0.56154%0.542SS*.Hα-helixtrans-59.8-46.4173.5-73.2175.7-178.2177.20111.6L185 E186 Q191 Q192 Y193L185-K189 WeakPolarHBondContact O-CG 3.35Å; L185-K189 PolarHBondContact O-N 3.47Å; E186-K189 PolarHBondContact O-N 3.24Å; K189-Q191 VanDerWaalsContact C-N 3.29Å; K189-Q191 PolarHBondContact O-N 3.47Å; K189-Q192 WeakPolarHBondContact O-CB 3.37Å; K189-Q192 PolarHBondContact O-N 3.37Å; K189-Q192 VanDerWaalsContact O-N 3.14Å; K189-Y193 WeakPolarHBondContact O-CD2 3.3Å; K189-Y193 PolarHBondContact O-N 3.21Å; K189-Y193 VanDerWaalsContact O-N 3.1Å
190L92.7Very high86.1Confident90 Ų90111 Ų11147%0.47157%0.574SS.*Hα-helixtrans-61.5-35.3176.8-72.4171000113E186 K187 R194E186-L190 HydrophobicContact CG-CD1 4.46Å; E186-L190 WeakPolarHBondContact O-CG 3.42Å; E186-L190 PolarHBondContact O-N 2.94Å; K187-L190 PolarHBondContact O-N 3.38Å; L190-R194 PolarHBondContact O-N 3.4Å
191Q88.4Confident86.2Confident127 Ų127113.2 Ų113.259%0.59358%0.575SS**Hα-helixtrans-68.3-40.1173.2-84.4-177.7-23.400112.5K187 A188 K189 Y193 R194 L195K187-Q191 PolarHBondContact O-N 3.36Å; A188-Q191 PolarHBondContact O-N 3.03Å; K189-Q191 VanDerWaalsContact C-N 3.29Å; K189-Q191 PolarHBondContact O-N 3.47Å; Q191-Y193 VanDerWaalsContact C-N 3.31Å; Q191-Y193 PolarHBondContact O-N 3.17Å; Q191-R194 PolarHBondContact O-N 3Å; Q191-L195 WeakPolarHBondContact O-CG 3.25Å; Q191-L195 PolarHBondContact O-N 3.02Å
192Q89.3Confident85.9Confident135 Ų135111.6 Ų111.663%0.63157%0.57SS**Hα-helixtrans-59.3-42.6175.3-73176.6-15.400111.4A188 K189 R194 L195 S196A188-Q192 WeakPolarHBondContact O-CG 3.23Å; A188-Q192 PolarHBondContact O-N 2.93Å; K189-Q192 WeakPolarHBondContact O-CB 3.37Å; K189-Q192 PolarHBondContact O-N 3.37Å; K189-Q192 VanDerWaalsContact O-N 3.14Å; Q192-R194 PolarHBondContact O-N 3.32Å; Q192-L195 PolarHBondContact O-N 2.97Å; Q192-S196 PolarHBondContact O-N 2.64Å; Q192-S196 PolarHBondContact O-OG 2.93Å
193Y86.6Confident85.6Confident153 Ų153112.5 Ų112.560%0.658%0.577SS**Hα-helixtrans-61.5-42.2174.9-70.1-60.8000112.8K189 Q191 L195 S196 D197K189-Y193 WeakPolarHBondContact O-CD2 3.3Å; K189-Y193 PolarHBondContact O-N 3.21Å; K189-Y193 VanDerWaalsContact O-N 3.1Å; Q191-Y193 VanDerWaalsContact C-N 3.31Å; Q191-Y193 PolarHBondContact O-N 3.17Å; Y193-L195 VanDerWaalsContact C-N 3.28Å; Y193-L195 PolarHBondContact O-N 3.47Å; Y193-S196 WeakPolarHBondContact CA-OG 3.33Å; Y193-S196 PolarHBondContact O-N 3.39Å; Y193-S196 PolarHBondContact O-OG 3.05Å; Y193-D197 PolarHBondContact O-N 2.92Å
194R80.3Confident85.3Confident173 Ų173116.8 Ų116.865%0.65360%0.598SS**Hα-helixtrans-63.4-34.2175.2-73.7-175.1-156.71686.3113.2L190 Q191 Q192 L198L190-R194 PolarHBondContact O-N 3.4Å; Q191-R194 PolarHBondContact O-N 3Å; Q192-R194 PolarHBondContact O-N 3.32Å; R194-L198 WeakPolarHBondContact O-CD1 3.14Å; R194-L198 VanDerWaalsContact O-CG 3.31Å; R194-L198 WeakPolarHBondContact O-CG 3.2Å; R194-L198 PolarHBondContact O-N 3.26Å
195L82Confident84.9Confident119 Ų119116.9 Ų116.962%0.62360%0.599SS**Hα-helixtrans-73.5-37.4178.1-68.7173.7000111.4Q191 Q192 Y193 L198 S199Q191-L195 WeakPolarHBondContact O-CG 3.25Å; Q191-L195 PolarHBondContact O-N 3.02Å; Q192-L195 PolarHBondContact O-N 2.97Å; Y193-L195 VanDerWaalsContact C-N 3.28Å; Y193-L195 PolarHBondContact O-N 3.47Å; L195-L198 PolarHBondContact O-N 2.84Å; L195-S199 PolarHBondContact O-N 3.11Å; L195-S199 PolarHBondContact O-OG 3.47Å
196S82Confident84.3Confident48 Ų48117.5 Ų117.534%0.33660%0.6SS.*Hα-helixtrans-66-39174.555.10000112.4Q192 Y193 L198 S199 S200Q192-S196 PolarHBondContact O-N 2.64Å; Q192-S196 PolarHBondContact O-OG 2.93Å; Y193-S196 WeakPolarHBondContact CA-OG 3.33Å; Y193-S196 PolarHBondContact O-N 3.39Å; Y193-S196 PolarHBondContact O-OG 3.05Å; S196-L198 PolarHBondContact O-N 3Å; S196-S199 WeakPolarHBondContact CA-OG 3.44Å; S196-S199 PolarHBondContact O-N 3.42Å; S196-S199 VanDerWaalsContact O-N 3.12Å; S196-S199 PolarHBondContact O-OG 2.86Å; S196-S200 PolarHBondContact O-N 3.27Å; S196-S200 PolarHBondContact O-OG 2.64Å
197D79.6Confident83.6Confident116 Ų116118.3 Ų118.362%0.6261%0.608SS**Hα-helixtrans-67.2-24.2177.5-67.2-12.9000112.7Y193Y193-D197 PolarHBondContact O-N 2.92Å
198L75.1Confident82.9Confident144 Ų144117.6 Ų117.675%0.75461%0.612SS**Hα-helixtrans-85.6-17.9174.4-73.5166.2000113.2R194 L195 S196R194-L198 WeakPolarHBondContact O-CD1 3.14Å; R194-L198 VanDerWaalsContact O-CG 3.31Å; R194-L198 WeakPolarHBondContact O-CG 3.2Å; R194-L198 PolarHBondContact O-N 3.26Å; L195-L198 PolarHBondContact O-N 2.84Å; S196-L198 PolarHBondContact O-N 3Å
199S73Confident82Confident100 Ų100123.9 Ų123.970%0.69963%0.634SS**Hα-helixtrans-94.4-8.4177.362.20000114.1L195 S196L195-S199 PolarHBondContact O-N 3.11Å; L195-S199 PolarHBondContact O-OG 3.47Å; S196-S199 WeakPolarHBondContact CA-OG 3.44Å; S196-S199 PolarHBondContact O-N 3.42Å; S196-S199 VanDerWaalsContact O-N 3.12Å; S196-S199 PolarHBondContact O-OG 2.86Å
200S61.6Low81Confident153 Ų153123.5 Ų123.5100%1.0764%0.641SS**  trans-960176-49.70000110.5S196S196-S200 PolarHBondContact O-N 3.27Å; S196-S200 PolarHBondContact O-OG 2.64Å

Retrieved 200 of 200 residues in 273.8 ms (Link to these results)