A0A3Q0KVH7_SCHMA Loading...

Large ribosomal subunit protein eL34

AlphaFold DB , UniProt , Accession A0A3Q0KVH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 139 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
1M77Confident91.8Very high221 Ų221136.3 Ų136.3100%1.08962%0.618SS**  0124.80-176.6-177-171.300109.5
2Q87.5Confident92.1Very high116 Ų116139.8 Ų139.854%0.54263%0.625SS.*  trans-81.5123.7178.8-68.7-179.90.200111.3
3R90.8Very high92.4Very high248 Ų248139.5 Ų139.594%0.93663%0.632SS**  trans-81.1148.6170.4-68-177.3-178.3178.41.4109.8
4L92.3Very high92.6Very high41 Ų41133.9 Ų133.922%0.21561%0.614CS.*  trans-127.8142.5-174.3-60.9178.2000111.3K21 V29 Y31L4-K21 HydrophobicContact CD1-CB 4.39Å; L4-K21 HydrophobicContact CD1-CD 3.86Å; L4-K21 HydrophobicContact CD1-CG 3.7Å; L4-V29 HydrophobicContact CD1-CG1 3.91Å; L4-V29 HydrophobicContact CD2-CB 4.15Å; L4-V29 HydrophobicContact CD2-CG1 4.13Å; L4-V29 WeakPolarHBondContact CD2-O 3.35Å; L4-Y31 HydrophobicContact CB-CD2 3.83Å; L4-Y31 HydrophobicContact CB-CE2 3.31Å; L4-Y31 HydrophobicContact CD1-CD1 3.95Å; L4-Y31 HydrophobicContact CD1-CD2 4.19Å; L4-Y31 HydrophobicContact CD1-CE1 3.71Å; L4-Y31 HydrophobicContact CD1-CE2 3.96Å; L4-Y31 HydrophobicContact CD1-CG 4.17Å; L4-Y31 HydrophobicContact CG-CE2 4.29Å
5T94.2Very high92.7Very high122 Ų122132.3 Ų132.375%0.74861%0.613SS**  trans-96.4150.9172.9540000111.3Y31T5-Y31 WeakPolarHBondContact O-CD2 3.34Å
6L95.5Very high92.8Very high55 Ų55127.6 Ų127.629%0.28860%0.599SS.*  trans-71.2137.6171.7-80.3174.6000110.4L10 S11 Y31 Y33L6-L10 WeakPolarHBondContact CD1-O 3.42Å; L6-S11 WeakPolarHBondContact CD1-O 3.4Å; L6-Y31 HydrophobicContact CD2-CD2 4.47Å; L6-Y33 HydrophobicContact CD2-CE1 4.47Å
7R93.8Very high93Very high174 Ų174120.1 Ų120.166%0.65756%0.563SS**SBendtrans-95.3-6179-56.3168.760.7-1752.8113.6Y33R7-Y33 HydrophobicContact CB-CE2 4.05Å; R7-Y33 PolarHBondContact N-OH 3.27Å
8R94.4Very high93.1Very high128 Ų128119.7 Ų119.748%0.48356%0.559SS.*SBendtrans-114.8154.6178.9-74.8-179.4179.3166.7-0.3108.9L10 Y33R8-L10 PolarHBondContact O-N 3.45Å; R8-Y33 HydrophobicContact CB-CE1 4.34Å; R8-Y33 HydrophobicContact CB-CE2 4.42Å; R8-Y33 WeakPolarHBondContact CB-OH 3.45Å; R8-Y33 HydrophobicContact CG-CD2 4.28Å; R8-Y33 HydrophobicContact CG-CE1 4.08Å; R8-Y33 HydrophobicContact CG-CE2 3.64Å; R8-Y33 VanDerWaalsContact CZ-CG 3.42Å; R8-Y33 PolarHBondContact N-OH 3.29Å
9R95.4Very high93.3Very high244 Ų244117 Ų11792%0.92154%0.544SS*.SBendtrans-54.1-25.8175.371.8177.8-173.51661.8115.2S11R9-S11 PolarHBondContact O-N 3.09Å
10L93.9Very high93.4Very high75 Ų75117.9 Ų117.939%0.39355%0.546SS..  trans-78.6109.2-175.5-61.9174.6000110.7L6 R8 N17L6-L10 WeakPolarHBondContact CD1-O 3.42Å; R8-L10 PolarHBondContact O-N 3.45Å; L10-N17 PolarHBondContact O-ND2 2.92Å
11S94.8Very high93.5Very high75 Ų75117.5 Ų117.552%0.52454%0.543SS..  trans-79.2-33.4179.653.20000113.6L6 R9L6-S11 WeakPolarHBondContact CD1-O 3.4Å; R9-S11 PolarHBondContact O-N 3.09Å
12Y96.4Very high94.4Very high179 Ų179109.1 Ų109.170%0.70250%0.504SS*.SBendtrans-74.1151.1-172.7-54.4-77.5000114.5T14 N17Y12-T14 VanDerWaalsContact C-N 3.32Å; Y12-T14 PolarHBondContact O-N 3.43Å; Y12-N17 PolarHBondContact O-ND2 3.37Å
13N95Very high94.8Very high135 Ų135111.7 Ų111.772%0.72251%0.513SS*.  trans-83.468.1176.9-171.819.9000112.3
14T95.9Very high94.9Very high62 Ų62102.5 Ų102.538%0.3849%0.485SS..  trans-89.7159.3175.970.50000111.9Y12 S16 N17Y12-T14 VanDerWaalsContact C-N 3.32Å; Y12-T14 PolarHBondContact O-N 3.43Å; T14-S16 PolarHBondContact O-N 3.36Å; T14-S16 PolarHBondContact OG1-OG 3.17Å; T14-N17 CarbonylContact O-C 3.59Å; T14-N17 PolarHBondContact O-N 3.22Å; T14-N17 PolarHBondContact OG1-N 2.92Å
15N94.2Very high95.2Very high110 Ų110107.5 Ų107.559%0.58852%0.519SS*.THydrogen-bonded Turntrans-56.2-24.7174.4-78.5-36.5000114K18N15-K18 VanDerWaalsContact OD1-CE 3.25Å; N15-K18 WeakPolarHBondContact OD1-CE 3.07Å; N15-K18 PolarHBondContact OD1-NZ 3.49Å
16S94Very high95.2Very high56 Ų56104.9 Ų104.939%0.39252%0.517SS..THydrogen-bonded Turntrans-79.6-24.2175.672.70000113.5T14T14-S16 PolarHBondContact O-N 3.36Å; T14-S16 PolarHBondContact OG1-OG 3.17Å
17N95.8Very high95Very high0 Ų0104.8 Ų104.80%053%0.529CS..SBendtrans-105.227.7-175.3-16031.4000112.2L10 Y12 T14 R19 Y33L10-N17 PolarHBondContact O-ND2 2.92Å; Y12-N17 PolarHBondContact O-ND2 3.37Å; T14-N17 CarbonylContact O-C 3.59Å; T14-N17 PolarHBondContact O-N 3.22Å; T14-N17 PolarHBondContact OG1-N 2.92Å; N17-R19 WeakPolarHBondContact O-CG 3.39Å; N17-R19 PolarHBondContact O-NE 3.24Å; N17-Y33 WeakPolarHBondContact OD1-CE1 3Å
18K95.9Very high94.9Very high113 Ų113103.8 Ų103.849%0.49153%0.529SS..  trans-67.4141.4174.1-74.4-169.4174.2-1770110.6N15 V34N15-K18 VanDerWaalsContact OD1-CE 3.25Å; N15-K18 WeakPolarHBondContact OD1-CE 3.07Å; N15-K18 PolarHBondContact OD1-NZ 3.49Å; K18-V34 PolarHBondContact O-N 3.07Å
19R96Very high95Very high69 Ų6999.2 Ų99.226%0.2652%0.516SS..EExtended strand (participates in β ladder)trans-136.3146.6-167.5-69.5161.7-86.4162.1-10.6110.2N17 Y31 I32 Y33N17-R19 WeakPolarHBondContact O-CG 3.39Å; N17-R19 PolarHBondContact O-NE 3.24Å; R19-Y31 HydrophobicContact CB-CD1 3.75Å; R19-Y31 HydrophobicContact CB-CE1 4.29Å; R19-Y31 HydrophobicContact CB-CG 4.23Å; R19-Y31 HydrophobicContact CG-CD1 4.43Å; R19-Y31 HydrophobicContact CG-CG 4.44Å; R19-I32 CarbonylContact C-O 3.49Å; R19-I32 WeakPolarHBondContact CA-O 3.22Å; R19-Y33 HydrophobicContact CG-CD1 3.67Å; R19-Y33 HydrophobicContact CG-CE1 3.62Å
20K95.5Very high94.9Very high134 Ų13489.4 Ų89.458%0.58348%0.483SS*.EExtended strand (participates in β ladder)trans-114.6133.7169.3-174.3-179.6178.1-176.70108.5V22 I32 V34K20-V22 HydrophobicContact CB-CG2 4.4Å; K20-V22 HydrophobicContact CD-CG2 3.98Å; K20-V22 HydrophobicContact CG-CG2 3.92Å; K20-I32 PolarHBondContact N-O 3.26Å; K20-I32 PolarHBondContact O-N 2.99Å; K20-V34 HydrophobicContact CB-CG2 3.88Å
21K95.6Very high95Very high111 Ų11187.7 Ų87.748%0.48347%0.471SS..EExtended strand (participates in β ladder)trans-77.9125.3169.3-62.2-174.6-177.4177.70108.1L4 V29 Y31L4-K21 HydrophobicContact CD1-CB 4.39Å; L4-K21 HydrophobicContact CD1-CD 3.86Å; L4-K21 HydrophobicContact CD1-CG 3.7Å; K21-V29 HydrophobicContact CB-CG1 4.19Å; K21-Y31 HydrophobicContact CD-CE1 4.31Å; K21-Y31 HydrophobicContact CG-CD1 3.98Å; K21-Y31 HydrophobicContact CG-CE1 3.56Å
22V95.6Very high95.1Very high45 Ų4588.3 Ų88.327%0.27347%0.468SS..EExtended strand (participates in β ladder)trans-132.5137.5-179.3177.90000108.7K20 V30 I32K20-V22 HydrophobicContact CB-CG2 4.4Å; K20-V22 HydrophobicContact CD-CG2 3.98Å; K20-V22 HydrophobicContact CG-CG2 3.92Å; V22-V30 PolarHBondContact N-O 2.85Å; V22-V30 PolarHBondContact O-N 3.28Å; V22-I32 HydrophobicContact CB-CD1 3.85Å; V22-I32 HydrophobicContact CB-CG1 4.18Å; V22-I32 HydrophobicContact CG1-CD1 4.02Å; V22-I32 HydrophobicContact CG2-CB 4.41Å; V22-I32 HydrophobicContact CG2-CD1 3.83Å; V22-I32 HydrophobicContact CG2-CG1 4.14Å
23K95.4Very high95.1Very high170 Ų17081.5 Ų81.574%0.73944%0.441SS*.EExtended strand (participates in β ladder)trans-80.1122.8170-73-176.8177.6-174.50108.4V29K23-V29 HydrophobicContact CG-CG2 3.95Å
24T94.1Very high95.1Very high55 Ų5578.4 Ų78.434%0.33743%0.427SS..  trans-78.1156.317160.20000110G26 G27 K28 V30T24-G26 PolarHBondContact O-N 3.38Å; T24-G26 VanDerWaalsContact O-N 3.16Å; T24-G27 PolarHBondContact O-N 3.34Å; T24-K28 PolarHBondContact N-O 3.29Å; T24-K28 PolarHBondContact OG1-N 3.49Å; T24-K28 PolarHBondContact OG1-O 3.48Å; T24-V30 HydrophobicContact CG2-CB 4.25Å; T24-V30 HydrophobicContact CG2-CG2 3.88Å
25P97.3Very high95Very high145 Ų14582.4 Ų82.494%0.94244%0.439SS*.THydrogen-bonded Turntrans-52.8-33.5176.2-29.136.2000113.9G27P25-G27 PolarHBondContact O-N 3.47Å
26G94.6Very high95.1Very high68 Ų6882.8 Ų82.870%0.70144%0.436SS*.THydrogen-bonded Turntrans-75.920.8175.100000115.5T24 K28T24-G26 PolarHBondContact O-N 3.38Å; T24-G26 VanDerWaalsContact O-N 3.16Å; G26-K28 PolarHBondContact O-N 2.88Å
27G91.1Very high95.1Very high52 Ų5291.4 Ų91.454%0.53646%0.46SS..SBendtrans76.4-12174.400000116.5T24 P25T24-G27 PolarHBondContact O-N 3.34Å; P25-G27 PolarHBondContact O-N 3.47Å
28K93Very high95Very high153 Ų15392.6 Ų92.667%0.66547%0.472SS*.  trans-75.9136.1178.3-61.1179.7-177.3177.70111.3T24 G26 V30T24-K28 PolarHBondContact N-O 3.29Å; T24-K28 PolarHBondContact OG1-N 3.49Å; T24-K28 PolarHBondContact OG1-O 3.48Å; G26-K28 PolarHBondContact O-N 2.88Å; K28-V30 HydrophobicContact CB-CG2 4.31Å
29V94.7Very high94.9Very high32 Ų3292.8 Ų92.819%0.19448%0.483CS..EExtended strand (participates in β ladder)trans-84.7129.1167.5-176.40000108.6L4 K21 K23L4-V29 HydrophobicContact CD1-CG1 3.91Å; L4-V29 HydrophobicContact CD2-CB 4.15Å; L4-V29 HydrophobicContact CD2-CG1 4.13Å; L4-V29 WeakPolarHBondContact CD2-O 3.35Å; K21-V29 HydrophobicContact CB-CG1 4.19Å; K23-V29 HydrophobicContact CG-CG2 3.95Å
30V95.2Very high94.8Very high39 Ų3994.4 Ų94.424%0.23649%0.492CS..EExtended strand (participates in β ladder)trans-134.9153.1-177.1-176.80000110.6V22 T24 K28V22-V30 PolarHBondContact N-O 2.85Å; V22-V30 PolarHBondContact O-N 3.28Å; T24-V30 HydrophobicContact CG2-CB 4.25Å; T24-V30 HydrophobicContact CG2-CG2 3.88Å; K28-V30 HydrophobicContact CB-CG2 4.31Å
31Y95.9Very high94.7Very high38 Ų3889 Ų8915%0.14947%0.47CS..EExtended strand (participates in β ladder)trans-78.7126.4167.7-74.4-52.1000112.1L4 T5 L6 R19 K21L4-Y31 HydrophobicContact CB-CD2 3.83Å; L4-Y31 HydrophobicContact CB-CE2 3.31Å; L4-Y31 HydrophobicContact CD1-CD1 3.95Å; L4-Y31 HydrophobicContact CD1-CD2 4.19Å; L4-Y31 HydrophobicContact CD1-CE1 3.71Å; L4-Y31 HydrophobicContact CD1-CE2 3.96Å; L4-Y31 HydrophobicContact CD1-CG 4.17Å; L4-Y31 HydrophobicContact CG-CE2 4.29Å; T5-Y31 WeakPolarHBondContact O-CD2 3.34Å; L6-Y31 HydrophobicContact CD2-CD2 4.47Å; R19-Y31 HydrophobicContact CB-CD1 3.75Å; R19-Y31 HydrophobicContact CB-CE1 4.29Å; R19-Y31 HydrophobicContact CB-CG 4.23Å; R19-Y31 HydrophobicContact CG-CD1 4.43Å; R19-Y31 HydrophobicContact CG-CG 4.44Å; K21-Y31 HydrophobicContact CD-CE1 4.31Å; K21-Y31 HydrophobicContact CG-CD1 3.98Å; K21-Y31 HydrophobicContact CG-CE1 3.56Å
32I95.6Very high94.7Very high88 Ų8890.8 Ų90.845%0.45148%0.478SS..EExtended strand (participates in β ladder)trans-104.4130.3163.4-61.1-173.7000108.6R19 K20 V22R19-I32 CarbonylContact C-O 3.49Å; R19-I32 WeakPolarHBondContact CA-O 3.22Å; K20-I32 PolarHBondContact N-O 3.26Å; K20-I32 PolarHBondContact O-N 2.99Å; V22-I32 HydrophobicContact CB-CD1 3.85Å; V22-I32 HydrophobicContact CB-CG1 4.18Å; V22-I32 HydrophobicContact CG1-CD1 4.02Å; V22-I32 HydrophobicContact CG2-CB 4.41Å; V22-I32 HydrophobicContact CG2-CD1 3.83Å; V22-I32 HydrophobicContact CG2-CG1 4.14Å
33Y96.2Very high94.8Very high37 Ų3788.8 Ų88.815%0.14547%0.466CS..EExtended strand (participates in β ladder)trans-79.2128179.4-67.6-81.5000111.4L6 R7 R8 N17 R19L6-Y33 HydrophobicContact CD2-CE1 4.47Å; R7-Y33 HydrophobicContact CB-CE2 4.05Å; R7-Y33 PolarHBondContact N-OH 3.27Å; R8-Y33 HydrophobicContact CB-CE1 4.34Å; R8-Y33 HydrophobicContact CB-CE2 4.42Å; R8-Y33 WeakPolarHBondContact CB-OH 3.45Å; R8-Y33 HydrophobicContact CG-CD2 4.28Å; R8-Y33 HydrophobicContact CG-CE1 4.08Å; R8-Y33 HydrophobicContact CG-CE2 3.64Å; R8-Y33 VanDerWaalsContact CZ-CG 3.42Å; R8-Y33 PolarHBondContact N-OH 3.29Å; N17-Y33 WeakPolarHBondContact OD1-CE1 3Å; R19-Y33 HydrophobicContact CG-CD1 3.67Å; R19-Y33 HydrophobicContact CG-CE1 3.62Å
34V95.5Very high94.7Very high70 Ų7083.1 Ų83.142%0.42446%0.456SS..PPolyproline II helixtrans-97.7128.8-178.7-1760000108.9K18 K20K18-V34 PolarHBondContact O-N 3.07Å; K20-V34 HydrophobicContact CB-CG2 3.88Å
35K94.8Very high94.7Very high145 Ų14584.2 Ų84.263%0.6346%0.46SS*.PPolyproline II helixtrans-66.7151.4173.2-63178.3-178.9172.40110.1R37 E60K35-R37 PolarHBondContact O-N 3.13Å; K35-E60 IonicContact NZ-OE1 3.23Å; K35-E60 PolarHBondContact NZ-OE1 2.92Å
36K96Very high94.6Very high119 Ų11980.3 Ų80.352%0.51744%0.436SS..PPolyproline II helixtrans-61137.2172.6-42178175.8177.10109.5R57K36-R57 VanDerWaalsContact N-NH1 3.14Å; K36-R57 WeakPolarHBondContact O-CD 3.29Å; K36-R57 PolarHBondContact O-NH1 2.91Å
37R94Very high94.6Very high237 Ų23784.7 Ų84.789%0.89444%0.435SS*.PPolyproline II helixtrans-60141.9179.2-64.8-176.9177.1-179.6-1.1110.6K35K35-R37 PolarHBondContact O-N 3.13Å
38G93.9Very high94.7Very high25 Ų2584.6 Ų84.626%0.25843%0.426SS..PPolyproline II helixtrans-68.3144.4172.800000111.2
39T93Very high94.8Very high117 Ų11781.9 Ų81.972%0.71842%0.415SS*.BIsolated β-bridgetrans-81.4148.517650.20000110.5
40F93.1Very high94.9Very high102 Ų10280.7 Ų80.745%0.44741%0.407SS..PPolyproline II helixtrans-73.7136.1170.8-71.7-78.2000110K49 P55F40-K49 HydrophobicContact CB-CD 4.48Å; F40-K49 HydrophobicContact CB-CG 4.24Å; F40-K49 HydrophobicContact CD1-CD 4.09Å; F40-K49 HydrophobicContact CD1-CG 4.38Å; F40-K49 HydrophobicContact CE1-CD 4.48Å; F40-K49 VanDerWaalsContact CE1-CE 3.45Å; F40-K49 HydrophobicContact CG-CD 4.14Å; F40-K49 HydrophobicContact CG-CG 4.39Å; F40-P55 HydrophobicContact CD1-CB 3.86Å; F40-P55 HydrophobicContact CD1-CG 3.96Å; F40-P55 HydrophobicContact CE1-CB 3.98Å; F40-P55 HydrophobicContact CE1-CG 3.57Å; F40-P55 HydrophobicContact CG-CB 4.29Å; F40-P55 HydrophobicContact CZ-CB 4.49Å; F40-P55 HydrophobicContact CZ-CG 4.06Å
41P94.5Very high94.8Very high21 Ų2186.2 Ų86.214%0.13643%0.428CS..PPolyproline II helixtrans-68.1135.3172.628.5-31.3000109.8L50 I53P41-L50 HydrophobicContact CB-CD1 4.39Å; P41-L50 HydrophobicContact CG-CB 4.36Å; P41-L50 PolarHBondContact O-N 3.31Å; P41-I53 HydrophobicContact CB-CD1 4.39Å; P41-I53 HydrophobicContact CG-CB 3.63Å; P41-I53 HydrophobicContact CG-CD1 3.91Å; P41-I53 HydrophobicContact CG-CG1 4.39Å; P41-I53 HydrophobicContact CG-CG2 3.58Å
42K95.7Very high94.7Very high148 Ų14887.6 Ų87.664%0.64345%0.454SS*.BIsolated β-bridgetrans-107.2153-178.3-62.9-177.8-179.2-1760110.5S48K42-S48 CarbonylContact C-O 3.53Å; K42-S48 VanDerWaalsContact CA-O 3.27Å; K42-S48 WeakPolarHBondContact CA-O 3.42Å
43C96.4Very high94.6Very high3 Ų384 Ų842%0.0244%0.435CS..  trans-64.6138.3171.5-176.60000110.3D45 C46 K47 S48 L50 S78 C80C43-D45 VanDerWaalsContact C-N 3.3Å; C43-D45 PolarHBondContact O-N 3.47Å; C43-C46 VanDerWaalsContact CB-SG 3.51Å; C43-C46 PolarHBondContact SG-SG 3.41Å; C43-K47 WeakPolarHBondContact O-CA 3.48Å; C43-K47 PolarHBondContact O-N 2.92Å; C43-K47 VanDerWaalsContact O-N 3.12Å; C43-S48 PolarHBondContact N-O 3.19Å; C43-L50 HydrophobicContact CB-CD2 3.96Å; C43-S78 WeakPolarHBondContact CA-O 3.35Å; C43-C80 HydrophobicContact CB-CB 4.32Å; C43-C80 PolarHBondContact SG-N 2.87Å; C43-C80 VanDerWaalsContact SG-SG 3.69Å
44G94.1Very high94.6Very high52 Ų5287.7 Ų87.754%0.53645%0.452SS..THydrogen-bonded Turntrans-64.9-27.9177.400000115S78G44-S78 PolarHBondContact N-O 3.09Å
45D94.6Very high94.6Very high77 Ų7786.7 Ų86.741%0.41245%0.447SS..THydrogen-bonded Turntrans-91.4-70.7-179.5-64.3-49.1000111.1C43 K47 R79 C83 R87C43-D45 VanDerWaalsContact C-N 3.3Å; C43-D45 PolarHBondContact O-N 3.47Å; D45-K47 VanDerWaalsContact C-N 3.34Å; D45-K47 PolarHBondContact O-N 3.28Å; D45-R79 IonicContact OD1-CZ 3.86Å; D45-R79 IonicContact OD1-NH1 2.63Å; D45-R79 PolarHBondContact OD1-NH1 2.89Å; D45-R79 WeakPolarHBondContact OD2-CD 3.45Å; D45-R79 IonicContact OD2-CZ 3.7Å; D45-R79 IonicContact OD2-NE 3.96Å; D45-R79 IonicContact OD2-NH1 2.76Å; D45-R79 PolarHBondContact OD2-NH1 3.4Å; D45-C83 HydrophobicContact CB-CB 4.49Å; D45-R87 IonicContact OD1-NH2 3.38Å; D45-R87 PolarHBondContact OD1-NH2 3.42Å; D45-R87 IonicContact OD2-CZ 3.77Å; D45-R87 IonicContact OD2-NE 3.5Å; D45-R87 IonicContact OD2-NH2 3.17Å; D45-R87 PolarHBondContact OD2-NH2 3.01Å; D45-R87 VanDerWaalsContact OD2-NH2 3.17Å
46C94.7Very high94.6Very high64 Ų6480.4 Ų80.443%0.43242%0.421SS..THydrogen-bonded Turntrans-83.8-4.3-172.858.70000114.4C43 S48 C80C43-C46 VanDerWaalsContact CB-SG 3.51Å; C43-C46 PolarHBondContact SG-SG 3.41Å; C46-S48 PolarHBondContact O-N 2.95Å; C46-S48 PolarHBondContact SG-OG 3.5Å; C46-C80 PolarHBondContact SG-SG 3Å
47K94.3Very high94.5Very high159 Ų15978.7 Ų78.769%0.69141%0.412SS*.  trans58.612.2-177.8-56.3173.6-176.6172.60114.9C43 D45C43-K47 WeakPolarHBondContact O-CA 3.48Å; C43-K47 PolarHBondContact O-N 2.92Å; C43-K47 VanDerWaalsContact O-N 3.12Å; D45-K47 VanDerWaalsContact C-N 3.34Å; D45-K47 PolarHBondContact O-N 3.28Å
48S94.4Very high94.6Very high50 Ų5072.7 Ų72.735%0.3540%0.403SS..PPolyproline II helixtrans-69.3157.8174.570.80000111.6K42 C43 C46 L50K42-S48 CarbonylContact C-O 3.53Å; K42-S48 VanDerWaalsContact CA-O 3.27Å; K42-S48 WeakPolarHBondContact CA-O 3.42Å; C43-S48 PolarHBondContact N-O 3.19Å; C46-S48 PolarHBondContact O-N 2.95Å; C46-S48 PolarHBondContact SG-OG 3.5Å; S48-L50 PolarHBondContact O-N 2.94Å
49K95Very high94.6Very high97 Ų9782.3 Ų82.342%0.42243%0.432SS..BIsolated β-bridgetrans-65130.4177175.8176.4168.4179.40110.5F40F40-K49 HydrophobicContact CB-CD 4.48Å; F40-K49 HydrophobicContact CB-CG 4.24Å; F40-K49 HydrophobicContact CD1-CD 4.09Å; F40-K49 HydrophobicContact CD1-CG 4.38Å; F40-K49 HydrophobicContact CE1-CD 4.48Å; F40-K49 VanDerWaalsContact CE1-CE 3.45Å; F40-K49 HydrophobicContact CG-CD 4.14Å; F40-K49 HydrophobicContact CG-CG 4.39Å
50L95.2Very high94.7Very high6 Ų680.3 Ų80.33%0.03141%0.414CS..PPolyproline II helixtrans-81.8119.9173.4-65.3177.5000110.6P41 C43 S48 I53 G77 C80P41-L50 HydrophobicContact CB-CD1 4.39Å; P41-L50 HydrophobicContact CG-CB 4.36Å; P41-L50 PolarHBondContact O-N 3.31Å; C43-L50 HydrophobicContact CB-CD2 3.96Å; S48-L50 PolarHBondContact O-N 2.94Å; L50-I53 HydrophobicContact CB-CD1 3.67Å; L50-I53 HydrophobicContact CB-CG1 4.48Å; L50-I53 HydrophobicContact CD1-CD1 3.81Å; L50-I53 HydrophobicContact CG-CD1 4.4Å; L50-G77 WeakPolarHBondContact CD1-O 3.3Å; L50-C80 HydrophobicContact CD2-CB 4.16Å
51F93.5Very high94.7Very high156 Ų15679.2 Ų79.268%0.68441%0.407SS*.THydrogen-bonded Turntrans-75.5152.4175.5-59.1-76.4000111.6I53 V71F51-I53 VanDerWaalsContact C-N 3.28Å; F51-I53 PolarHBondContact O-N 3.38Å; F51-V71 WeakPolarHBondContact O-CG2 3.36Å
52G93.4Very high94.7Very high67 Ų6783.7 Ų83.769%0.69143%0.434SS*.THydrogen-bonded Turntrans80.5-3.6179.200000115.6
53I95.2Very high94.7Very high11 Ų1181.8 Ų81.86%0.05644%0.44CS..  trans-108.9128179.7-49.3170.1000110.4P41 L50 F51 L68 K69 V71P41-I53 HydrophobicContact CB-CD1 4.39Å; P41-I53 HydrophobicContact CG-CB 3.63Å; P41-I53 HydrophobicContact CG-CD1 3.91Å; P41-I53 HydrophobicContact CG-CG1 4.39Å; P41-I53 HydrophobicContact CG-CG2 3.58Å; L50-I53 HydrophobicContact CB-CD1 3.67Å; L50-I53 HydrophobicContact CB-CG1 4.48Å; L50-I53 HydrophobicContact CD1-CD1 3.81Å; L50-I53 HydrophobicContact CG-CD1 4.4Å; F51-I53 VanDerWaalsContact C-N 3.28Å; F51-I53 PolarHBondContact O-N 3.38Å; I53-L68 WeakPolarHBondContact CG2-O 3.26Å; I53-K69 WeakPolarHBondContact CG2-O 3.46Å; I53-V71 HydrophobicContact CG1-CG2 4.18Å
54K95Very high94.7Very high116 Ų11683.2 Ų83.250%0.50445%0.447SS..  trans-73.5126.7-178.7-169172.3-177.7175.50111.2M64 L68K54-M64 HydrophobicContact CB-SD 4.37Å; K54-M64 HydrophobicContact CD-SD 4.02Å; K54-M64 HydrophobicContact CG-SD 4.38Å; K54-L68 HydrophobicContact CB-CB 4.36Å; K54-L68 HydrophobicContact CD-CD1 4.36Å; K54-L68 PolarHBondContact N-O 2.83Å
55P95.4Very high94.8Very high49 Ų4984 Ų8432%0.31844%0.444SS..  trans-66.8136.217329.9-35.7000109.8F40F40-P55 HydrophobicContact CD1-CB 3.86Å; F40-P55 HydrophobicContact CD1-CG 3.96Å; F40-P55 HydrophobicContact CE1-CB 3.98Å; F40-P55 HydrophobicContact CE1-CG 3.57Å; F40-P55 HydrophobicContact CG-CB 4.29Å; F40-P55 HydrophobicContact CZ-CB 4.49Å; F40-P55 HydrophobicContact CZ-CG 4.06Å
56S94.7Very high94.8Very high12 Ų1288.4 Ų88.48%0.08446%0.459CS..BIsolated β-bridgetrans-153.8158.4-174.444.80000110.9M64S56-M64 VanDerWaalsContact CB-CE 3.49Å; S56-M64 WeakPolarHBondContact OG-CE 3.35Å
57R95Very high94.8Very high83 Ų8395.7 Ų95.731%0.31348%0.478SS..  trans-73.7151.9167.1-63.1175.663.887.93.1109.5K36 R59 E60 R61K36-R57 VanDerWaalsContact N-NH1 3.14Å; K36-R57 WeakPolarHBondContact O-CD 3.29Å; K36-R57 PolarHBondContact O-NH1 2.91Å; R57-R59 VanDerWaalsContact C-N 3.27Å; R57-R59 PolarHBondContact O-N 2.89Å; R57-R59 VanDerWaalsContact O-N 3.16Å; R57-E60 HydrophobicContact CB-CB 4.42Å; R57-E60 HydrophobicContact CB-CG 4.37Å; R57-E60 PolarHBondContact O-N 3.29Å; R57-R61 WeakPolarHBondContact O-CB 3.38Å; R57-R61 PolarHBondContact O-N 3.48Å
58P94.9Very high94.9Very high111 Ų11191.1 Ų91.172%0.72146%0.461SS*.Hα-helixtrans-50.6-44.1-179.8-29.235.4000113.9R61 T62P58-R61 WeakPolarHBondContact O-CB 3.31Å; P58-R61 PolarHBondContact O-N 3.46Å; P58-T62 PolarHBondContact O-N 3.45Å; P58-T62 PolarHBondContact O-OG1 2.94Å
59R94.6Very high94.9Very high227 Ų22791 Ų9186%0.85745%0.454SS*.Hα-helixtrans-63.7-42.1176.9-170.5176.3-176.5-158.60.2113.5R57 R61R57-R59 VanDerWaalsContact C-N 3.27Å; R57-R59 PolarHBondContact O-N 2.89Å; R57-R59 VanDerWaalsContact O-N 3.16Å; R59-R61 VanDerWaalsContact C-N 3.3Å
60E94.8Very high94.9Very high75 Ų7588.7 Ų88.735%0.3545%0.448SS..Hα-helixtrans-70-33.2177.8-69166.8-179.400110.5K35 R57 T62 S63 M64K35-E60 IonicContact NZ-OE1 3.23Å; K35-E60 PolarHBondContact NZ-OE1 2.92Å; R57-E60 HydrophobicContact CB-CB 4.42Å; R57-E60 HydrophobicContact CB-CG 4.37Å; R57-E60 PolarHBondContact O-N 3.29Å; E60-T62 VanDerWaalsContact C-N 3.29Å; E60-T62 PolarHBondContact O-N 3.42Å; E60-S63 PolarHBondContact O-N 2.88Å; E60-S63 VanDerWaalsContact O-N 3.16Å; E60-M64 WeakPolarHBondContact O-CG 3.39Å; E60-M64 PolarHBondContact O-N 3.45Å
61R94.4Very high94.9Very high79 Ų7990.7 Ų90.730%0.29846%0.46SS..Hα-helixtrans-62.1-34.1178.6-166.3178.3-178.587.31.8112.6R57 P58 R59 S63 M64 K69R57-R61 WeakPolarHBondContact O-CB 3.38Å; R57-R61 PolarHBondContact O-N 3.48Å; P58-R61 WeakPolarHBondContact O-CB 3.31Å; P58-R61 PolarHBondContact O-N 3.46Å; R59-R61 VanDerWaalsContact C-N 3.3Å; R61-S63 VanDerWaalsContact C-N 3.35Å; R61-M64 HydrophobicContact CB-CE 4.47Å; R61-M64 HydrophobicContact CG-CE 4.24Å; R61-K69 WeakPolarHBondContact O-CE 3.48Å; R61-K69 PolarHBondContact O-NZ 3.47Å
62T94.4Very high95Very high115 Ų11591.1 Ų91.171%0.70647%0.469SS*.Hα-helixtrans-62.8-43175.3-52.80000111.3P58 E60 K69P58-T62 PolarHBondContact O-N 3.45Å; P58-T62 PolarHBondContact O-OG1 2.94Å; E60-T62 VanDerWaalsContact C-N 3.29Å; E60-T62 PolarHBondContact O-N 3.42Å; T62-K69 PolarHBondContact O-NZ 3.46Å
63S95.8Very high95Very high109 Ų10991.6 Ų91.676%0.76245%0.45SS*.Hα-helixtrans-76.5-24.5-176.7171.80000115.1E60 R61E60-S63 PolarHBondContact O-N 2.88Å; E60-S63 VanDerWaalsContact O-N 3.16Å; R61-S63 VanDerWaalsContact C-N 3.35Å
64M95.4Very high95Very high33 Ų3395 Ų9516%0.16347%0.474CS..SBendtrans-62.8156.5-179.4-67.7-165.9-57.200113.1K54 S56 E60 R61 L68 K69K54-M64 HydrophobicContact CB-SD 4.37Å; K54-M64 HydrophobicContact CD-SD 4.02Å; K54-M64 HydrophobicContact CG-SD 4.38Å; S56-M64 VanDerWaalsContact CB-CE 3.49Å; S56-M64 WeakPolarHBondContact OG-CE 3.35Å; E60-M64 WeakPolarHBondContact O-CG 3.39Å; E60-M64 PolarHBondContact O-N 3.45Å; R61-M64 HydrophobicContact CB-CE 4.47Å; R61-M64 HydrophobicContact CG-CE 4.24Å; M64-L68 HydrophobicContact CB-CD1 4.37Å; M64-L68 HydrophobicContact SD-CB 4.46Å; M64-L68 HydrophobicContact SD-CD1 4.28Å; M64-K69 HydrophobicContact CE-CG 4.46Å; M64-K69 WeakPolarHBondContact O-CE 3.45Å; M64-K69 PolarHBondContact O-NZ 3.09Å
65S96.4Very high95Very high69 Ų6996.2 Ų96.248%0.48348%0.476SS..  trans-68156.6172.366.20000112.3R67 L68S65-R67 VanDerWaalsContact C-N 3.33Å; S65-R67 PolarHBondContact O-N 3.04Å; S65-L68 PolarHBondContact O-N 3.48Å
66K94.3Very high95Very high168 Ų16894.9 Ų94.973%0.7347%0.472SS*.G310 helixtrans-59.4-41-178-172.5176.4178.4-179.90112.5L68 K69 T70K66-L68 PolarHBondContact O-N 3.12Å; K66-L68 VanDerWaalsContact O-N 3.09Å; K66-K69 PolarHBondContact O-N 2.89Å; K66-T70 PolarHBondContact O-N 3.3Å; K66-T70 PolarHBondContact O-OG1 2.89Å
67R95.2Very high94.9Very high217 Ų21795.4 Ų95.482%0.81948%0.479SS*.G310 helixtrans-52.8-33178.7-173.9-173.2-69.2-175.4-1113S65S65-R67 VanDerWaalsContact C-N 3.33Å; S65-R67 PolarHBondContact O-N 3.04Å
68L95.2Very high94.9Very high63 Ų6394.1 Ų94.133%0.3348%0.482SS..G310 helixtrans-82.6-15.4-179.4-62175.6000113.8I53 K54 M64 S65 K66I53-L68 WeakPolarHBondContact CG2-O 3.26Å; K54-L68 HydrophobicContact CB-CB 4.36Å; K54-L68 HydrophobicContact CD-CD1 4.36Å; K54-L68 PolarHBondContact N-O 2.83Å; M64-L68 HydrophobicContact CB-CD1 4.37Å; M64-L68 HydrophobicContact SD-CB 4.46Å; M64-L68 HydrophobicContact SD-CD1 4.28Å; S65-L68 PolarHBondContact O-N 3.48Å; K66-L68 PolarHBondContact O-N 3.12Å; K66-L68 VanDerWaalsContact O-N 3.09Å
69K94.6Very high94.9Very high49 Ų4991.3 Ų91.321%0.21346%0.457CS..THydrogen-bonded Turntrans-97.3-25.6-175.5-59.4-179.7-153.5-176.30112.8I53 R61 T62 M64 K66I53-K69 WeakPolarHBondContact CG2-O 3.46Å; R61-K69 WeakPolarHBondContact O-CE 3.48Å; R61-K69 PolarHBondContact O-NZ 3.47Å; T62-K69 PolarHBondContact O-NZ 3.46Å; M64-K69 HydrophobicContact CE-CG 4.46Å; M64-K69 WeakPolarHBondContact O-CE 3.45Å; M64-K69 PolarHBondContact O-NZ 3.09Å; K66-K69 PolarHBondContact O-N 2.89Å
70T95.4Very high95Very high48 Ų4880.9 Ų80.929%0.29442%0.419SS..  trans-132166.8-17057.30000112.4K66K66-T70 PolarHBondContact O-N 3.3Å; K66-T70 PolarHBondContact O-OG1 2.89Å
71V95Very high95Very high47 Ų4783 Ų8329%0.28543%0.429SS..  trans-121.4142.3173.2179.80000108F51 I53 R73F51-V71 WeakPolarHBondContact O-CG2 3.36Å; I53-V71 HydrophobicContact CG1-CG2 4.18Å; V71-R73 VanDerWaalsContact C-N 3.29Å; V71-R73 HydrophobicContact CG1-CG 4.21Å; V71-R73 PolarHBondContact O-N 3.11Å
72N95.5Very high95.1Very high165 Ų16582.4 Ų82.488%0.88243%0.434SS*.SBendtrans-7970.3-175.6-64.5-10.6000112.2
73R94Very high95.2Very high77 Ų7777.6 Ų77.629%0.29141%0.405SS..SBendtrans-156167.1172.466.918017293.13.1110.7V71 Y75 G76 R79 C80 H81V71-R73 VanDerWaalsContact C-N 3.29Å; V71-R73 HydrophobicContact CG1-CG 4.21Å; V71-R73 PolarHBondContact O-N 3.11Å; R73-Y75 PolarHBondContact O-N 2.92Å; R73-G76 PolarHBondContact O-N 3Å; R73-R79 PolarHBondContact NH1-O 3.44Å; R73-R79 PolarHBondContact NH2-O 3.19Å; R73-C80 VanDerWaalsContact NH1-C 3.3Å; R73-C80 PolarHBondContact NH1-O 2.87Å; R73-C80 VanDerWaalsContact NH1-O 3.11Å; R73-C80 VanDerWaalsContact NH2-CA 3.34Å; R73-H81 VanDerWaalsContact NH1-CA 3.31Å; R73-H81 VanDerWaalsContact NH2-N 3.18Å
74P95.5Very high95.2Very high84 Ų8472.9 Ų72.955%0.54537%0.371SS..THydrogen-bonded Turntrans-54.3134.8174.3-25.835.4000111.7G76 V84P74-G76 PolarHBondContact O-N 3.01Å; P74-V84 HydrophobicContact CB-CG1 4.39Å; P74-V84 WeakPolarHBondContact O-CG2 3.44Å
75Y95.7Very high95.3Very high140 Ų14079.5 Ų79.555%0.54940%0.395SS..THydrogen-bonded Turntrans55.925.1-175.1-54.8-86.7000115R73 S78 R79 V84R73-Y75 PolarHBondContact O-N 2.92Å; Y75-S78 PolarHBondContact O-N 3.23Å; Y75-R79 HydrophobicContact CG-CG 4.31Å; Y75-R79 PolarHBondContact O-N 3.18Å; Y75-V84 HydrophobicContact CD2-CG2 4.37Å
76G93.8Very high95.3Very high22 Ų2279.5 Ų79.523%0.22739%0.389CS..THydrogen-bonded Turntrans-56.3137.517500000112R73 P74 S78R73-G76 PolarHBondContact O-N 3Å; P74-G76 PolarHBondContact O-N 3.01Å; G76-S78 VanDerWaalsContact C-N 3.28Å; G76-S78 PolarHBondContact O-N 3.14Å
77G92.4Very high95.5Very high23 Ų2375.3 Ų75.324%0.23737%0.369CS..THydrogen-bonded Turntrans88.4-19.1-176.200000115.4L50L50-G77 WeakPolarHBondContact CD1-O 3.3Å
78S94.9Very high95.6Very high55 Ų5570 Ų7039%0.38536%0.355SS..THydrogen-bonded Turntrans-117.1-40.3-176.8177.80000113.2C43 G44 Y75 G76C43-S78 WeakPolarHBondContact CA-O 3.35Å; G44-S78 PolarHBondContact N-O 3.09Å; Y75-S78 PolarHBondContact O-N 3.23Å; G76-S78 VanDerWaalsContact C-N 3.28Å; G76-S78 PolarHBondContact O-N 3.14Å
79R96Very high95.7Very high52 Ų5270.2 Ų70.220%0.19636%0.357CS..SBendtrans-121.7149.6-173.6-52.5-60175.2150.4-0.7111.1D45 R73 Y75 V84D45-R79 IonicContact OD1-CZ 3.86Å; D45-R79 IonicContact OD1-NH1 2.63Å; D45-R79 PolarHBondContact OD1-NH1 2.89Å; D45-R79 WeakPolarHBondContact OD2-CD 3.45Å; D45-R79 IonicContact OD2-CZ 3.7Å; D45-R79 IonicContact OD2-NE 3.96Å; D45-R79 IonicContact OD2-NH1 2.76Å; D45-R79 PolarHBondContact OD2-NH1 3.4Å; R73-R79 PolarHBondContact NH1-O 3.44Å; R73-R79 PolarHBondContact NH2-O 3.19Å; Y75-R79 HydrophobicContact CG-CG 4.31Å; Y75-R79 PolarHBondContact O-N 3.18Å; R79-V84 HydrophobicContact CB-CG2 3.73Å
80C95.7Very high95.9Very high9 Ų975.5 Ų75.56%0.06138%0.375CS..  trans-77.9168.8171.664.20000111.5C43 C46 L50 R73 T82 C83 V84C43-C80 HydrophobicContact CB-CB 4.32Å; C43-C80 PolarHBondContact SG-N 2.87Å; C43-C80 VanDerWaalsContact SG-SG 3.69Å; C46-C80 PolarHBondContact SG-SG 3Å; L50-C80 HydrophobicContact CD2-CB 4.16Å; R73-C80 VanDerWaalsContact NH1-C 3.3Å; R73-C80 PolarHBondContact NH1-O 2.87Å; R73-C80 VanDerWaalsContact NH1-O 3.11Å; R73-C80 VanDerWaalsContact NH2-CA 3.34Å; C80-T82 PolarHBondContact SG-OG1 3.33Å; C80-C83 PolarHBondContact O-N 3.48Å; C80-C83 PolarHBondContact SG-N 3.46Å; C80-C83 PolarHBondContact SG-SG 2.98Å; C80-V84 WeakPolarHBondContact O-CG2 3.43Å; C80-V84 PolarHBondContact O-N 2.97Å; C80-V84 VanDerWaalsContact O-N 3.08Å
81H95Very high96Very high120 Ų12076 Ų7656%0.55638%0.384SS*.Hα-helixtrans-67-37.7-176.763.2-86000111.8R73 V84 R85R73-H81 VanDerWaalsContact NH1-CA 3.31Å; R73-H81 VanDerWaalsContact NH2-N 3.18Å; H81-V84 PolarHBondContact O-N 3.37Å; H81-R85 WeakPolarHBondContact O-CB 3.34Å; H81-R85 PolarHBondContact O-N 3.04Å
82T96.4Very high96.1Very high66 Ų6679.8 Ų79.841%0.40540%0.397SS..Hα-helixtrans-61.5-46.7174.955.20000112.2C80 V84 R85 N86C80-T82 PolarHBondContact SG-OG1 3.33Å; T82-V84 VanDerWaalsContact C-N 3.35Å; T82-V84 PolarHBondContact O-N 3.42Å; T82-R85 PolarHBondContact O-N 3.35Å; T82-N86 PolarHBondContact O-N 3.03Å; T82-N86 PolarHBondContact O-ND2 3.16Å; T82-N86 PolarHBondContact O-OD1 2.97Å
83C96.8Very high96.2Very high14 Ų1476.6 Ų76.610%0.09538%0.378CS..Hα-helixtrans-65.7-36.6177.2-69.20000112.4D45 C80 N86 R87D45-C83 HydrophobicContact CB-CB 4.49Å; C80-C83 PolarHBondContact O-N 3.48Å; C80-C83 PolarHBondContact SG-N 3.46Å; C80-C83 PolarHBondContact SG-SG 2.98Å; C83-N86 PolarHBondContact O-N 3.06Å; C83-R87 VanDerWaalsContact O-CG 3.29Å; C83-R87 WeakPolarHBondContact O-CG 3.5Å; C83-R87 PolarHBondContact O-N 3.41Å
84V97Very high96.4Very high9 Ų978.8 Ų78.86%0.05539%0.393CS..Hα-helixtrans-66.3-45175.3172.20000110.9P74 Y75 R79 C80 H81 T82 N86 R87 I88P74-V84 HydrophobicContact CB-CG1 4.39Å; P74-V84 WeakPolarHBondContact O-CG2 3.44Å; Y75-V84 HydrophobicContact CD2-CG2 4.37Å; R79-V84 HydrophobicContact CB-CG2 3.73Å; C80-V84 WeakPolarHBondContact O-CG2 3.43Å; C80-V84 PolarHBondContact O-N 2.97Å; C80-V84 VanDerWaalsContact O-N 3.08Å; H81-V84 PolarHBondContact O-N 3.37Å; T82-V84 VanDerWaalsContact C-N 3.35Å; T82-V84 PolarHBondContact O-N 3.42Å; V84-N86 VanDerWaalsContact C-N 3.34Å; V84-N86 PolarHBondContact O-N 3.33Å; V84-R87 WeakPolarHBondContact O-CB 3.47Å; V84-R87 PolarHBondContact O-N 3.08Å; V84-R87 VanDerWaalsContact O-N 3.13Å; V84-I88 HydrophobicContact CG1-CD1 3.94Å; V84-I88 WeakPolarHBondContact O-CG1 3.44Å; V84-I88 PolarHBondContact O-N 3.24Å
85R96.9Very high96.5Very high172 Ų17279.8 Ų79.865%0.64939%0.39SS*.Hα-helixtrans-55.2-49.3173-179.4-179.1180-173.70.5111.4H81 T82 R87 I88 I89H81-R85 WeakPolarHBondContact O-CB 3.34Å; H81-R85 PolarHBondContact O-N 3.04Å; T82-R85 PolarHBondContact O-N 3.35Å; R85-R87 PolarHBondContact O-N 3.1Å; R85-I88 PolarHBondContact O-N 2.96Å; R85-I89 HydrophobicContact CG-CD1 3.75Å; R85-I89 HydrophobicContact CG-CG1 4.45Å; R85-I89 WeakPolarHBondContact O-CG1 3.4Å; R85-I89 PolarHBondContact O-N 2.9Å
86N97Very high96.6Very high70 Ų7078 Ų7837%0.37439%0.387SS..Hα-helixtrans-65.5-26.9-179.7-66.3-11.3000113T82 C83 V84 R90T82-N86 PolarHBondContact O-N 3.03Å; T82-N86 PolarHBondContact O-ND2 3.16Å; T82-N86 PolarHBondContact O-OD1 2.97Å; C83-N86 PolarHBondContact O-N 3.06Å; V84-N86 VanDerWaalsContact C-N 3.34Å; V84-N86 PolarHBondContact O-N 3.33Å; N86-R90 WeakPolarHBondContact O-CB 3.45Å; N86-R90 WeakPolarHBondContact O-CG 3.47Å; N86-R90 PolarHBondContact O-N 3.33Å; N86-R90 VanDerWaalsContact O-N 3.14Å; N86-R90 PolarHBondContact O-NE 2.9Å; N86-R90 VanDerWaalsContact O-NE 3.13Å
87R96.9Very high96.8Very high79 Ų7981.2 Ų81.230%0.29840%0.396SS..Hα-helixtrans-72-44.6173.4-77167.9179.9-106-16.8111.3D45 C83 V84 R85 R90 A91D45-R87 IonicContact OD1-NH2 3.38Å; D45-R87 PolarHBondContact OD1-NH2 3.42Å; D45-R87 IonicContact OD2-CZ 3.77Å; D45-R87 IonicContact OD2-NE 3.5Å; D45-R87 IonicContact OD2-NH2 3.17Å; D45-R87 PolarHBondContact OD2-NH2 3.01Å; D45-R87 VanDerWaalsContact OD2-NH2 3.17Å; C83-R87 VanDerWaalsContact O-CG 3.29Å; C83-R87 WeakPolarHBondContact O-CG 3.5Å; C83-R87 PolarHBondContact O-N 3.41Å; V84-R87 WeakPolarHBondContact O-CB 3.47Å; V84-R87 PolarHBondContact O-N 3.08Å; V84-R87 VanDerWaalsContact O-N 3.13Å; R85-R87 PolarHBondContact O-N 3.1Å; R87-R90 PolarHBondContact O-N 3.18Å; R87-A91 VanDerWaalsContact O-CB 3.3Å; R87-A91 WeakPolarHBondContact O-CB 3.44Å; R87-A91 PolarHBondContact O-N 3.5Å
88I97.5Very high97Very high105 Ų10585.3 Ų85.354%0.53841%0.407SS..Hα-helixtrans-62.3-51.3179.1-64.9164.9000109.9V84 R85 R90 A91 F92V84-I88 HydrophobicContact CG1-CD1 3.94Å; V84-I88 WeakPolarHBondContact O-CG1 3.44Å; V84-I88 PolarHBondContact O-N 3.24Å; R85-I88 PolarHBondContact O-N 2.96Å; I88-R90 PolarHBondContact O-N 2.97Å; I88-A91 PolarHBondContact O-N 3.42Å; I88-F92 WeakPolarHBondContact O-CB 3.39Å; I88-F92 PolarHBondContact O-N 2.97Å
89I97.9Very high97.1Very high69 Ų6986 Ų8635%0.35441%0.409SS..Hα-helixtrans-61.3-45179.8-64.5172.1000110.8R85 F92 M93R85-I89 HydrophobicContact CG-CD1 3.75Å; R85-I89 HydrophobicContact CG-CG1 4.45Å; R85-I89 WeakPolarHBondContact O-CG1 3.4Å; R85-I89 PolarHBondContact O-N 2.9Å; I89-F92 PolarHBondContact O-N 3.13Å; I89-M93 HydrophobicContact CG2-CG 4.23Å; I89-M93 HydrophobicContact CG2-SD 3.77Å; I89-M93 WeakPolarHBondContact O-CB 3.34Å; I89-M93 WeakPolarHBondContact O-CG 3.48Å; I89-M93 PolarHBondContact O-N 3.17Å
90R97.9Very high97.2Very high159 Ų15988.3 Ų88.360%0.643%0.425SS*.Hα-helixtrans-63-45.1178.1-80.1-173.8-100.3-149.8-2.8112.5N86 R87 I88 F92 M94N86-R90 WeakPolarHBondContact O-CB 3.45Å; N86-R90 WeakPolarHBondContact O-CG 3.47Å; N86-R90 PolarHBondContact O-N 3.33Å; N86-R90 VanDerWaalsContact O-N 3.14Å; N86-R90 PolarHBondContact O-NE 2.9Å; N86-R90 VanDerWaalsContact O-NE 3.13Å; R87-R90 PolarHBondContact O-N 3.18Å; I88-R90 PolarHBondContact O-N 2.97Å; R90-F92 VanDerWaalsContact C-N 3.34Å; R90-F92 PolarHBondContact O-N 3.14Å; R90-M94 WeakPolarHBondContact O-CB 3.27Å; R90-M94 WeakPolarHBondContact O-CG 3.38Å; R90-M94 PolarHBondContact O-N 2.76Å
91A97.9Very high97.2Very high59 Ų5994.7 Ų94.749%0.48845%0.452SS..Hα-helixtrans-59.9-47.8177.900000110.8R87 I88 M94 E95R87-A91 VanDerWaalsContact O-CB 3.3Å; R87-A91 WeakPolarHBondContact O-CB 3.44Å; R87-A91 PolarHBondContact O-N 3.5Å; I88-A91 PolarHBondContact O-N 3.42Å; A91-M94 PolarHBondContact O-N 2.63Å; A91-E95 WeakPolarHBondContact O-CG 3.48Å; A91-E95 PolarHBondContact O-N 3.19Å; A91-E95 VanDerWaalsContact O-N 3.1Å
92F98.2Very high97.3Very high126 Ų12694 Ų9455%0.55345%0.449SS*.Hα-helixtrans-58.2-55.9177.2176-107.2000112.1I88 I89 R90 M94 E95 E96I88-F92 WeakPolarHBondContact O-CB 3.39Å; I88-F92 PolarHBondContact O-N 2.97Å; I89-F92 PolarHBondContact O-N 3.13Å; R90-F92 VanDerWaalsContact C-N 3.34Å; R90-F92 PolarHBondContact O-N 3.14Å; F92-M94 VanDerWaalsContact C-N 3.27Å; F92-M94 PolarHBondContact O-N 3.04Å; F92-E95 PolarHBondContact O-N 3.48Å; F92-E96 HydrophobicContact CD1-CG 4.36Å; F92-E96 HydrophobicContact CD2-CG 4.14Å; F92-E96 HydrophobicContact CE1-CG 3.94Å; F92-E96 HydrophobicContact CE2-CG 3.69Å; F92-E96 WeakPolarHBondContact CE2-OE1 3.42Å; F92-E96 HydrophobicContact CG-CG 4.45Å; F92-E96 HydrophobicContact CZ-CG 3.58Å; F92-E96 WeakPolarHBondContact O-CG 3.2Å; F92-E96 PolarHBondContact O-N 3.01Å
93M97.7Very high97.3Very high98 Ų9894.9 Ų94.948%0.48345%0.451SS..Hα-helixtrans-60-36.4-178.2-70.8-178.974.700112.9I89 Q97I89-M93 HydrophobicContact CG2-CG 4.23Å; I89-M93 HydrophobicContact CG2-SD 3.77Å; I89-M93 WeakPolarHBondContact O-CB 3.34Å; I89-M93 WeakPolarHBondContact O-CG 3.48Å; I89-M93 PolarHBondContact O-N 3.17Å; M93-Q97 WeakPolarHBondContact O-CB 3.4Å; M93-Q97 WeakPolarHBondContact O-CG 3.32Å; M93-Q97 PolarHBondContact O-N 3.38Å
94M97.8Very high97.4Very high123 Ų12397.5 Ų97.561%0.60646%0.463SS*.Hα-helixtrans-70.4-38.3179.6-68.4-66.3-77.300112R90 A91 F92 K98R90-M94 WeakPolarHBondContact O-CB 3.27Å; R90-M94 WeakPolarHBondContact O-CG 3.38Å; R90-M94 PolarHBondContact O-N 2.76Å; A91-M94 PolarHBondContact O-N 2.63Å; F92-M94 VanDerWaalsContact C-N 3.27Å; F92-M94 PolarHBondContact O-N 3.04Å; M94-K98 VanDerWaalsContact O-CB 3.27Å; M94-K98 WeakPolarHBondContact O-CB 3.46Å; M94-K98 PolarHBondContact O-N 2.97Å
95E97.9Very high97.3Very high105 Ų105104.1 Ų104.149%0.49149%0.491SS..Hα-helixtrans-66.5-46.2173.9-71.1-57.3139.100111.2A91 F92 Q97 K98 V99A91-E95 WeakPolarHBondContact O-CG 3.48Å; A91-E95 PolarHBondContact O-N 3.19Å; A91-E95 VanDerWaalsContact O-N 3.1Å; F92-E95 PolarHBondContact O-N 3.48Å; E95-Q97 PolarHBondContact O-N 3.13Å; E95-K98 WeakPolarHBondContact O-CB 3.45Å; E95-K98 PolarHBondContact O-N 3.29Å; E95-K98 VanDerWaalsContact O-N 3.08Å; E95-V99 WeakPolarHBondContact O-CG2 3.09Å; E95-V99 PolarHBondContact O-N 3.39Å
96E97.2Very high97.3Very high104 Ų10499.9 Ų99.949%0.48648%0.478SS..Hα-helixtrans-58-47.4176.4-70.1-59133.800111.9F92 K98 V99 L100F92-E96 HydrophobicContact CD1-CG 4.36Å; F92-E96 HydrophobicContact CD2-CG 4.14Å; F92-E96 HydrophobicContact CE1-CG 3.94Å; F92-E96 HydrophobicContact CE2-CG 3.69Å; F92-E96 WeakPolarHBondContact CE2-OE1 3.42Å; F92-E96 HydrophobicContact CG-CG 4.45Å; F92-E96 HydrophobicContact CZ-CG 3.58Å; F92-E96 WeakPolarHBondContact O-CG 3.2Å; F92-E96 PolarHBondContact O-N 3.01Å; E96-K98 VanDerWaalsContact C-N 3.27Å; E96-K98 PolarHBondContact O-N 3.44Å; E96-V99 PolarHBondContact O-N 3.46Å; E96-L100 WeakPolarHBondContact O-CB 3.34Å; E96-L100 PolarHBondContact O-N 2.94Å
97Q97.2Very high97.3Very high88 Ų88101.9 Ų101.941%0.41149%0.486SS..Hα-helixtrans-62.2-35.3176.3-75.9179.21.500112.5M93 E95 K101M93-Q97 WeakPolarHBondContact O-CB 3.4Å; M93-Q97 WeakPolarHBondContact O-CG 3.32Å; M93-Q97 PolarHBondContact O-N 3.38Å; E95-Q97 PolarHBondContact O-N 3.13Å; Q97-K101 WeakPolarHBondContact O-CB 3.2Å; Q97-K101 WeakPolarHBondContact O-CG 3.33Å; Q97-K101 PolarHBondContact O-N 3.07Å
98K97.7Very high97.2Very high109 Ų109104 Ų10447%0.47450%0.497SS..Hα-helixtrans-68.3-45.2179-179.1-176174.5-167.90111.2M94 E95 E96 K101 Q102M94-K98 VanDerWaalsContact O-CB 3.27Å; M94-K98 WeakPolarHBondContact O-CB 3.46Å; M94-K98 PolarHBondContact O-N 2.97Å; E95-K98 WeakPolarHBondContact O-CB 3.45Å; E95-K98 PolarHBondContact O-N 3.29Å; E95-K98 VanDerWaalsContact O-N 3.08Å; E96-K98 VanDerWaalsContact C-N 3.27Å; E96-K98 PolarHBondContact O-N 3.44Å; K98-K101 PolarHBondContact O-N 3.42Å; K98-Q102 WeakPolarHBondContact O-CG 3.3Å; K98-Q102 PolarHBondContact O-N 3.38Å; K98-Q102 VanDerWaalsContact O-N 3.14Å
99V97.4Very high97.1Very high69 Ų69107.2 Ų107.242%0.41850%0.502SS..Hα-helixtrans-61.8-48.3175.41750000110.5E95 E96 K101 Q102 L103E95-V99 WeakPolarHBondContact O-CG2 3.09Å; E95-V99 PolarHBondContact O-N 3.39Å; E96-V99 PolarHBondContact O-N 3.46Å; V99-K101 VanDerWaalsContact C-N 3.33Å; V99-K101 PolarHBondContact O-N 3.46Å; V99-Q102 WeakPolarHBondContact O-CB 3.48Å; V99-Q102 PolarHBondContact O-N 3.18Å; V99-Q102 VanDerWaalsContact O-N 3.09Å; V99-L103 HydrophobicContact CG1-CD1 4.14Å; V99-L103 HydrophobicContact CG1-CG 4.49Å; V99-L103 WeakPolarHBondContact O-CG 3.33Å; V99-L103 PolarHBondContact O-N 2.8Å
100L96.9Very high97Very high102 Ų102112.1 Ų112.153%0.53452%0.516SS..Hα-helixtrans-58.4-42.8178.6-178.862.5000112.3E96 Q102 L103 I104E96-L100 WeakPolarHBondContact O-CB 3.34Å; E96-L100 PolarHBondContact O-N 2.94Å; L100-Q102 VanDerWaalsContact C-N 3.32Å; L100-Q102 PolarHBondContact O-N 3.07Å; L100-L103 PolarHBondContact O-N 3.3Å; L100-I104 HydrophobicContact CD1-CD1 4.11Å; L100-I104 HydrophobicContact CD1-CG1 4.38Å; L100-I104 HydrophobicContact CG-CD1 3.93Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å; L100-I104 PolarHBondContact O-N 3.45Å
101K97Very high96.8Very high143 Ų143110.2 Ų110.262%0.62251%0.514SS*.Hα-helixtrans-62.5-38.1176.5-77.3172-176.9176.60112.4Q97 K98 V99 K105Q97-K101 WeakPolarHBondContact O-CB 3.2Å; Q97-K101 WeakPolarHBondContact O-CG 3.33Å; Q97-K101 PolarHBondContact O-N 3.07Å; K98-K101 PolarHBondContact O-N 3.42Å; V99-K101 VanDerWaalsContact C-N 3.33Å; V99-K101 PolarHBondContact O-N 3.46Å; K101-K105 WeakPolarHBondContact O-CB 3.39Å; K101-K105 PolarHBondContact O-N 3.19Å
102Q97.1Very high96.6Very high105 Ų105114.9 Ų114.949%0.49152%0.523SS..Hα-helixtrans-66-45.7175.9-72.5176.8-16.800111.2K98 V99 L100 I104 K105 E106K98-Q102 WeakPolarHBondContact O-CG 3.3Å; K98-Q102 PolarHBondContact O-N 3.38Å; K98-Q102 VanDerWaalsContact O-N 3.14Å; V99-Q102 WeakPolarHBondContact O-CB 3.48Å; V99-Q102 PolarHBondContact O-N 3.18Å; V99-Q102 VanDerWaalsContact O-N 3.09Å; L100-Q102 VanDerWaalsContact C-N 3.32Å; L100-Q102 PolarHBondContact O-N 3.07Å; Q102-I104 PolarHBondContact O-N 3.41Å; Q102-K105 WeakPolarHBondContact O-CB 3.16Å; Q102-K105 PolarHBondContact O-N 3.12Å; Q102-K105 VanDerWaalsContact O-N 3.16Å; Q102-E106 WeakPolarHBondContact O-CG 3.18Å; Q102-E106 PolarHBondContact O-N 3.31Å
103L96.6Very high96.3Very high85 Ų85115.7 Ų115.745%0.44553%0.527SS..Hα-helixtrans-60.4-46.2177.5-68.1174.2000112.4V99 L100 K105 E106 Q107V99-L103 HydrophobicContact CG1-CD1 4.14Å; V99-L103 HydrophobicContact CG1-CG 4.49Å; V99-L103 WeakPolarHBondContact O-CG 3.33Å; V99-L103 PolarHBondContact O-N 2.8Å; L100-L103 PolarHBondContact O-N 3.3Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 3.48Å; L103-E106 PolarHBondContact O-N 3.48Å; L103-Q107 WeakPolarHBondContact O-CG 3.42Å; L103-Q107 PolarHBondContact O-N 3.08Å
104I97.1Very high96.1Very high68 Ų68115 Ų11535%0.34953%0.528SS..Hα-helixtrans-61.5-40.6176.1-67166.9000110.7L100 Q102 E106 Q107 K108L100-I104 HydrophobicContact CD1-CD1 4.11Å; L100-I104 HydrophobicContact CD1-CG1 4.38Å; L100-I104 HydrophobicContact CG-CD1 3.93Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å; L100-I104 PolarHBondContact O-N 3.45Å; Q102-I104 PolarHBondContact O-N 3.41Å; I104-E106 VanDerWaalsContact C-N 3.34Å; I104-Q107 PolarHBondContact O-N 3.47Å; I104-K108 HydrophobicContact CG2-CD 4.23Å; I104-K108 WeakPolarHBondContact O-CB 3.29Å; I104-K108 WeakPolarHBondContact O-CG 3.38Å; I104-K108 PolarHBondContact O-N 3.09Å
105K96.7Very high95.8Very high148 Ų148113.6 Ų113.664%0.64352%0.523SS*.Hα-helixtrans-64.2-39.7176.9-173.4-179179-179.20111.4K101 Q102 L103 R109K101-K105 WeakPolarHBondContact O-CB 3.39Å; K101-K105 PolarHBondContact O-N 3.19Å; Q102-K105 WeakPolarHBondContact O-CB 3.16Å; Q102-K105 PolarHBondContact O-N 3.12Å; Q102-K105 VanDerWaalsContact O-N 3.16Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 3.48Å; K105-R109 WeakPolarHBondContact O-CG 3.41Å; K105-R109 PolarHBondContact O-N 3.32Å; K105-R109 VanDerWaalsContact O-N 3.11Å
106E96.4Very high95.3Very high83 Ų83116.1 Ų116.139%0.38853%0.528SS..Hα-helixtrans-68.2-43.1176-73.9-179.1-168.100112.7Q102 L103 I104 R109 R110Q102-E106 WeakPolarHBondContact O-CG 3.18Å; Q102-E106 PolarHBondContact O-N 3.31Å; L103-E106 PolarHBondContact O-N 3.48Å; I104-E106 VanDerWaalsContact C-N 3.34Å; E106-R109 WeakPolarHBondContact O-CB 3.46Å; E106-R109 PolarHBondContact O-N 3.42Å; E106-R110 WeakPolarHBondContact O-CG 3.34Å; E106-R110 PolarHBondContact O-N 2.9Å
107Q96.1Very high94.9Very high113 Ų113114.9 Ų114.953%0.52853%0.525SS..Hα-helixtrans-58.4-50.3174.5-74.3174.8-13.900111.1L103 I104 R109 R110 E111L103-Q107 WeakPolarHBondContact O-CG 3.42Å; L103-Q107 PolarHBondContact O-N 3.08Å; I104-Q107 PolarHBondContact O-N 3.47Å; Q107-R109 PolarHBondContact O-N 3.35Å; Q107-R110 WeakPolarHBondContact O-CA 3.49Å; Q107-R110 WeakPolarHBondContact O-CB 3.47Å; Q107-R110 PolarHBondContact O-N 3.5Å; Q107-E111 WeakPolarHBondContact O-CG 3.49Å; Q107-E111 PolarHBondContact O-N 3.11Å
108K96.2Very high94.6Very high122 Ų122114.4 Ų114.453%0.5353%0.528SS..Hα-helixtrans-58.3-34.9175.7-72.8-179.8179.5-174.40113I104 K112I104-K108 HydrophobicContact CG2-CD 4.23Å; I104-K108 WeakPolarHBondContact O-CB 3.29Å; I104-K108 WeakPolarHBondContact O-CG 3.38Å; I104-K108 PolarHBondContact O-N 3.09Å; K108-K112 WeakPolarHBondContact O-CB 3.2Å; K108-K112 VanDerWaalsContact O-CG 3.3Å; K108-K112 WeakPolarHBondContact O-CG 3.47Å; K108-K112 PolarHBondContact O-N 3.4Å; K108-K112 VanDerWaalsContact O-N 3.09Å
109R95.2Very high94.1Very high174 Ų174115.4 Ų115.466%0.65753%0.532SS*.Hα-helixtrans-68.5-42.2174-77.317566.6-1541.9111.8K105 E106 Q107 K113K105-R109 WeakPolarHBondContact O-CG 3.41Å; K105-R109 PolarHBondContact O-N 3.32Å; K105-R109 VanDerWaalsContact O-N 3.11Å; E106-R109 WeakPolarHBondContact O-CB 3.46Å; E106-R109 PolarHBondContact O-N 3.42Å; Q107-R109 PolarHBondContact O-N 3.35Å; R109-K113 WeakPolarHBondContact O-CB 3.2Å; R109-K113 PolarHBondContact O-N 2.91Å
110R94.5Very high93.6Very high171 Ų171114.8 Ų114.865%0.64553%0.526SS*.Hα-helixtrans-63.5-46.9176.6-69.2177.5-170.3-169.74.8110.9E106 Q107 K112 K113 T114E106-R110 WeakPolarHBondContact O-CG 3.34Å; E106-R110 PolarHBondContact O-N 2.9Å; Q107-R110 WeakPolarHBondContact O-CA 3.49Å; Q107-R110 WeakPolarHBondContact O-CB 3.47Å; Q107-R110 PolarHBondContact O-N 3.5Å; R110-K112 PolarHBondContact O-N 2.98Å; R110-K113 WeakPolarHBondContact O-CB 3.27Å; R110-K113 PolarHBondContact O-N 2.68Å; R110-K113 VanDerWaalsContact O-N 3.12Å; R110-T114 WeakPolarHBondContact O-CG2 2.91Å; R110-T114 PolarHBondContact O-N 3.11Å; R110-T114 PolarHBondContact O-OG1 3.43Å
111E94.7Very high92.9Very high119 Ų119116.5 Ų116.556%0.55653%0.53SS*.Hα-helixtrans-60.1-42.6176.5-71.5169.4179.600112.8Q107 K113 T114 L115Q107-E111 WeakPolarHBondContact O-CG 3.49Å; Q107-E111 PolarHBondContact O-N 3.11Å; E111-K113 VanDerWaalsContact C-N 3.33Å; E111-K113 PolarHBondContact O-N 3.5Å; E111-T114 WeakPolarHBondContact CA-OG1 2.8Å; E111-T114 PolarHBondContact O-N 3.47Å; E111-T114 PolarHBondContact O-OG1 3.35Å; E111-L115 VanDerWaalsContact O-CB 3.26Å; E111-L115 WeakPolarHBondContact O-CB 3.38Å; E111-L115 PolarHBondContact O-N 3.32Å
112K93.6Very high92.3Very high157 Ų157114.4 Ų114.468%0.68353%0.525SS*.Hα-helixtrans-63.7-39.3173.9-76.3-179.7179.5-169.10112K108 R110 W116K108-K112 WeakPolarHBondContact O-CB 3.2Å; K108-K112 VanDerWaalsContact O-CG 3.3Å; K108-K112 WeakPolarHBondContact O-CG 3.47Å; K108-K112 PolarHBondContact O-N 3.4Å; K108-K112 VanDerWaalsContact O-N 3.09Å; R110-K112 PolarHBondContact O-N 2.98Å; K112-W116 VanDerWaalsContact O-CB 3.29Å; K112-W116 WeakPolarHBondContact O-CB 3.45Å; K112-W116 PolarHBondContact O-N 2.98Å
113K91.9Very high91.5Very high143 Ų143114.1 Ų114.162%0.62253%0.526SS*.Hα-helixtrans-68.4-42.3177.8-171177.5-178.4-178.70111.6R109 R110 E111 W116 N117R109-K113 WeakPolarHBondContact O-CB 3.2Å; R109-K113 PolarHBondContact O-N 2.91Å; R110-K113 WeakPolarHBondContact O-CB 3.27Å; R110-K113 PolarHBondContact O-N 2.68Å; R110-K113 VanDerWaalsContact O-N 3.12Å; E111-K113 VanDerWaalsContact C-N 3.33Å; E111-K113 PolarHBondContact O-N 3.5Å; K113-W116 PolarHBondContact O-N 2.8Å; K113-N117 WeakPolarHBondContact O-CB 3.49Å; K113-N117 PolarHBondContact O-N 2.91Å; K113-N117 PolarHBondContact O-ND2 3.28Å
114T93.2Very high90.7Very high83 Ų83114.3 Ų114.351%0.50953%0.531SS..Hα-helixtrans-64.5-44.8174.855.20000110.6R110 E111 W116 N117 T118R110-T114 WeakPolarHBondContact O-CG2 2.91Å; R110-T114 PolarHBondContact O-N 3.11Å; R110-T114 PolarHBondContact O-OG1 3.43Å; E111-T114 WeakPolarHBondContact CA-OG1 2.8Å; E111-T114 PolarHBondContact O-N 3.47Å; E111-T114 PolarHBondContact O-OG1 3.35Å; T114-W116 PolarHBondContact O-N 2.84Å; T114-N117 PolarHBondContact O-N 3.2Å; T114-T118 PolarHBondContact O-N 2.94Å; T114-T118 PolarHBondContact O-OG1 3.16Å
115L92.1Very high89.8Confident95 Ų95117.5 Ų117.550%0.49754%0.542SS..Hα-helixtrans-60.6-44175.7-176.265.6000112.2E111 T118 K119E111-L115 VanDerWaalsContact O-CB 3.26Å; E111-L115 WeakPolarHBondContact O-CB 3.38Å; E111-L115 PolarHBondContact O-N 3.32Å; L115-T118 PolarHBondContact O-N 2.97Å; L115-K119 HydrophobicContact CG-CD 4.36Å; L115-K119 WeakPolarHBondContact O-CB 3.47Å; L115-K119 VanDerWaalsContact O-CG 3.31Å; L115-K119 WeakPolarHBondContact O-CG 3.09Å; L115-K119 PolarHBondContact O-N 3.26Å
116W87.1Confident88.8Confident158 Ų158115.9 Ų115.960%0.59854%0.54SS*.Hα-helixtrans-62.6-45.1176.1-176.885.3000111.6K112 K113 T114 T118 K119 N120K112-W116 VanDerWaalsContact O-CB 3.29Å; K112-W116 WeakPolarHBondContact O-CB 3.45Å; K112-W116 PolarHBondContact O-N 2.98Å; K113-W116 PolarHBondContact O-N 2.8Å; T114-W116 PolarHBondContact O-N 2.84Å; W116-T118 PolarHBondContact O-N 3.09Å; W116-K119 PolarHBondContact O-N 2.83Å; W116-N120 VanDerWaalsContact CD2-ND2 3.27Å; W116-N120 VanDerWaalsContact CE3-ND2 3.33Å; W116-N120 WeakPolarHBondContact CH2-ND2 3.48Å; W116-N120 WeakPolarHBondContact CZ2-ND2 3.42Å; W116-N120 WeakPolarHBondContact CZ3-ND2 3.42Å; W116-N120 WeakPolarHBondContact O-CB 3.25Å; W116-N120 VanDerWaalsContact O-CG 3.3Å; W116-N120 PolarHBondContact O-N 2.99Å
117N88.3Confident87.4Confident78 Ų78117 Ų11742%0.41755%0.548SS..Hα-helixtrans-60.6-44.8175.3-73.3-14.3000112.1K113 T114 N120 K121K113-N117 WeakPolarHBondContact O-CB 3.49Å; K113-N117 PolarHBondContact O-N 2.91Å; K113-N117 PolarHBondContact O-ND2 3.28Å; T114-N117 PolarHBondContact O-N 3.2Å; N117-N120 PolarHBondContact O-N 3.16Å; N117-K121 WeakPolarHBondContact O-CB 3.48Å; N117-K121 PolarHBondContact O-N 3.07Å
118T90.1Very high85.6Confident78 Ų78113.4 Ų113.448%0.47954%0.541SS..Hα-helixtrans-65.3-42.9178.7-54.50000111.3T114 L115 W116 K121 L122T114-T118 PolarHBondContact O-N 2.94Å; T114-T118 PolarHBondContact O-OG1 3.16Å; L115-T118 PolarHBondContact O-N 2.97Å; W116-T118 PolarHBondContact O-N 3.09Å; T118-K121 PolarHBondContact O-N 3Å; T118-L122 HydrophobicContact CG2-CD1 4.11Å; T118-L122 PolarHBondContact O-N 3.47Å
119K88.5Confident83.5Confident130 Ų130114 Ų11457%0.56555%0.546SS*.Hα-helixtrans-60.6-45174.7-77.4-178177.6-171.30111.7L115 W116 K121 L122 L123L115-K119 HydrophobicContact CG-CD 4.36Å; L115-K119 WeakPolarHBondContact O-CB 3.47Å; L115-K119 VanDerWaalsContact O-CG 3.31Å; L115-K119 WeakPolarHBondContact O-CG 3.09Å; L115-K119 PolarHBondContact O-N 3.26Å; W116-K119 PolarHBondContact O-N 2.83Å; K119-K121 PolarHBondContact O-N 3.39Å; K119-L122 PolarHBondContact O-N 2.88Å; K119-L123 WeakPolarHBondContact O-CB 3.16Å; K119-L123 PolarHBondContact O-N 3.06Å
120N85.5Confident81.5Confident55 Ų55111.4 Ų111.429%0.29454%0.541SS..Hα-helixtrans-64.3-40.4176.8-72.5-11.5000112.2W116 N117 L122 L123 T124W116-N120 VanDerWaalsContact CD2-ND2 3.27Å; W116-N120 VanDerWaalsContact CE3-ND2 3.33Å; W116-N120 WeakPolarHBondContact CH2-ND2 3.48Å; W116-N120 WeakPolarHBondContact CZ2-ND2 3.42Å; W116-N120 WeakPolarHBondContact CZ3-ND2 3.42Å; W116-N120 WeakPolarHBondContact O-CB 3.25Å; W116-N120 VanDerWaalsContact O-CG 3.3Å; W116-N120 PolarHBondContact O-N 2.99Å; N117-N120 PolarHBondContact O-N 3.16Å; N120-L122 VanDerWaalsContact C-N 3.32Å; N120-L122 PolarHBondContact O-N 2.88Å; N120-L123 PolarHBondContact O-N 3.43Å; N120-T124 WeakPolarHBondContact O-CG2 3.44Å; N120-T124 PolarHBondContact O-N 3.37Å; N120-T124 PolarHBondContact O-OG1 3.31Å; N120-T124 VanDerWaalsContact O-OG1 3.13Å
121K83.9Confident79.3Confident139 Ų139106.8 Ų106.860%0.60454%0.535SS*.Hα-helixtrans-65.1-34.3176-169.4174.3-177.4176.10112.6N117 T118 K119 T124 K125N117-K121 WeakPolarHBondContact O-CB 3.48Å; N117-K121 PolarHBondContact O-N 3.07Å; T118-K121 PolarHBondContact O-N 3Å; K119-K121 PolarHBondContact O-N 3.39Å; K121-T124 PolarHBondContact O-OG1 2.86Å; K121-K125 WeakPolarHBondContact O-CG 3.43Å; K121-K125 PolarHBondContact O-N 3Å
122L83.8Confident77.1Confident99 Ų99105 Ų10552%0.51853%0.532SS..Hα-helixtrans-70.1-44.5171.8-82.8154.4000111.3T118 K119 N120 T124 K125 L126T118-L122 HydrophobicContact CG2-CD1 4.11Å; T118-L122 PolarHBondContact O-N 3.47Å; K119-L122 PolarHBondContact O-N 2.88Å; N120-L122 VanDerWaalsContact C-N 3.32Å; N120-L122 PolarHBondContact O-N 2.88Å; L122-T124 PolarHBondContact O-N 3.23Å; L122-K125 PolarHBondContact O-N 3.04Å; L122-L126 WeakPolarHBondContact O-CG 3.48Å; L122-L126 PolarHBondContact O-N 3.41Å
123L80.4Confident75.1Confident98 Ų98105.1 Ų105.151%0.51353%0.533SS..Hα-helixtrans-60.5-45.1178-164.796.9000111.5K119 N120 K125 L126 L127K119-L123 WeakPolarHBondContact O-CB 3.16Å; K119-L123 PolarHBondContact O-N 3.06Å; N120-L123 PolarHBondContact O-N 3.43Å; L123-K125 VanDerWaalsContact C-N 3.35Å; L123-K125 PolarHBondContact O-N 3.18Å; L123-L126 PolarHBondContact O-N 3.24Å; L123-L127 HydrophobicContact CD2-CD1 3.89Å; L123-L127 HydrophobicContact CG-CD1 3.94Å; L123-L127 WeakPolarHBondContact O-CB 3.42Å; L123-L127 WeakPolarHBondContact O-CG 3.37Å; L123-L127 PolarHBondContact O-N 3.06Å
124T79.2Confident73.1Confident89 Ų89104 Ų10455%0.54653%0.534SS..Hα-helixtrans-67.5-33.1177.554.40000112.9N120 K121 L122 G128N120-T124 WeakPolarHBondContact O-CG2 3.44Å; N120-T124 PolarHBondContact O-N 3.37Å; N120-T124 PolarHBondContact O-OG1 3.31Å; N120-T124 VanDerWaalsContact O-OG1 3.13Å; K121-T124 PolarHBondContact O-OG1 2.86Å; L122-T124 PolarHBondContact O-N 3.23Å; T124-G128 PolarHBondContact O-N 3.02Å
125K78.9Confident71.1Confident135 Ų135107.2 Ų107.259%0.58755%0.545SS*.Hα-helixtrans-66.6-39.3172.2-80.8-177.5175.7-1680112.8K121 L122 L123 H129K121-K125 WeakPolarHBondContact O-CG 3.43Å; K121-K125 PolarHBondContact O-N 3Å; L122-K125 PolarHBondContact O-N 3.04Å; L123-K125 VanDerWaalsContact C-N 3.35Å; L123-K125 PolarHBondContact O-N 3.18Å; K125-H129 PolarHBondContact O-N 2.99Å
126L74.3Confident69.2Low115 Ų115111.2 Ų111.260%0.60256%0.559SS**Hα-helixtrans-69.4-47.8177.4-70.2168.8000111L122 L123 H129 Q130L122-L126 WeakPolarHBondContact O-CG 3.48Å; L122-L126 PolarHBondContact O-N 3.41Å; L123-L126 PolarHBondContact O-N 3.24Å; L126-H129 PolarHBondContact O-N 2.95Å; L126-Q130 PolarHBondContact O-N 2.85Å; L126-Q130 PolarHBondContact O-OE1 2.89Å
127L68.4Low67.5Low105 Ų105108.8 Ų108.855%0.5557%0.565SS.*Hα-helixtrans-67.9-35.3179.4-67.4171.2000113L123 H129 Q130 S131L123-L127 HydrophobicContact CD2-CD1 3.89Å; L123-L127 HydrophobicContact CG-CD1 3.94Å; L123-L127 WeakPolarHBondContact O-CB 3.42Å; L123-L127 WeakPolarHBondContact O-CG 3.37Å; L123-L127 PolarHBondContact O-N 3.06Å; L127-H129 VanDerWaalsContact C-N 3.27Å; L127-H129 PolarHBondContact O-N 2.95Å; L127-Q130 WeakPolarHBondContact O-CB 2.97Å; L127-Q130 PolarHBondContact O-N 2.9Å; L127-S131 PolarHBondContact O-N 2.88Å
128G57.8Low65.6Low38 Ų38110.6 Ų110.639%0.39258%0.582SS.*Hα-helixtrans-67.7-23.7177.100000114.1T124 S131T124-G128 PolarHBondContact O-N 3.02Å; G128-S131 PolarHBondContact O-OG 2.89Å
129H52.5Low63.5Low136 Ų136120 Ų12063%0.6361%0.61SS**Hα-helixtrans-77.6-23.2170.1-98.2-71.6000112.9K125 L126 L127 T132K125-H129 PolarHBondContact O-N 2.99Å; L126-H129 PolarHBondContact O-N 2.95Å; L127-H129 VanDerWaalsContact C-N 3.27Å; L127-H129 PolarHBondContact O-N 2.95Å; H129-T132 PolarHBondContact O-OG1 3.48Å
130Q51.8Low62.3Low119 Ų119119.5 Ų119.556%0.55661%0.613SS**Hα-helixtrans-72.3-39.7177.3-124.991.22600111.5L126 L127 T132 F133 D134L126-Q130 PolarHBondContact O-N 2.85Å; L126-Q130 PolarHBondContact O-OE1 2.89Å; L127-Q130 WeakPolarHBondContact O-CB 2.97Å; L127-Q130 PolarHBondContact O-N 2.9Å; Q130-T132 VanDerWaalsContact C-N 3.32Å; Q130-T132 PolarHBondContact O-N 3.06Å; Q130-F133 PolarHBondContact O-N 2.94Å; Q130-D134 PolarHBondContact O-N 3.01Å; Q130-D134 VanDerWaalsContact O-N 3.09Å
131S50.1Low61.1Low73 Ų73122.8 Ų122.851%0.5163%0.629SS.*Hα-helixtrans-70.9-22.3-177.453.90000114.6L127 G128L127-S131 PolarHBondContact O-N 2.88Å; G128-S131 PolarHBondContact O-OG 2.89Å
132T48.5Very low59.8Low83 Ų83121.9 Ų121.951%0.50963%0.631SS.*Hα-helixtrans-83.3-19.917351.40000112.8H129 Q130H129-T132 PolarHBondContact O-OG1 3.48Å; Q130-T132 VanDerWaalsContact C-N 3.32Å; Q130-T132 PolarHBondContact O-N 3.06Å
133F51.2Low58.4Low158 Ų158123.3 Ų123.369%0.69364%0.638SS**Hα-helixtrans-83.5-37.3173.4-101.3-90000112.5Q130 M135 F136Q130-F133 PolarHBondContact O-N 2.94Å; F133-M135 VanDerWaalsContact C-N 3.31Å; F133-M135 PolarHBondContact O-N 3.05Å; F133-F136 PolarHBondContact O-N 3.16Å
134D49.7Very low57Low121 Ų121124.9 Ų124.965%0.64765%0.645SS**Hα-helixtrans-71.8-24.3177.3-82-26.6000113.2Q130 F136Q130-D134 PolarHBondContact O-N 3.01Å; Q130-D134 VanDerWaalsContact O-N 3.09Å; D134-F136 VanDerWaalsContact C-N 3.3Å
135M50.2Low55.5Low150 Ų150127.3 Ų127.374%0.73965%0.652SS**THydrogen-bonded Turntrans-79.2-13.9176-154.7177.6-77.500112.9F133F133-M135 VanDerWaalsContact C-N 3.31Å; F133-M135 PolarHBondContact O-N 3.05Å
136F53Low53.8Low179 Ų179126.7 Ų126.779%0.78566%0.657SS**THydrogen-bonded Turntrans-99.5-0.9179.5-111.9-87.6000114.2F133 D134F133-F136 PolarHBondContact O-N 3.16Å; D134-F136 VanDerWaalsContact C-N 3.3Å
137C50.9Low52.3Low107 Ų107127.6 Ų127.672%0.72366%0.661SS**SBendtrans-107.54.1178.7-135.90000113.3
138C48.9Very low50.9Low115 Ų115129.5 Ų129.578%0.77767%0.67SS**  trans-114.416176.8-87.50000113.9
139Y46.5Very low50.3Low275 Ų275137.8 Ų137.8100%1.07870%0.695SS**  trans-131.50167.5-88.5-83.6000108.8

Retrieved 139 of 139 residues in 170.7 ms (Link to these results)