A0A077S2X5_SORAR Loading...

Lysozyme E

AlphaFold DB , UniProt , Accession A0A077S2X5, Species SORAR (Sorex araneus, Eurasian common shrew), Gene LYZE, Length 160 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.4Low55Low212 Ų212122.8 Ų122.8100%1.04467%0.671SS**  0-21.80-70.6-163.1-80.900114.1V5M1-V5 WeakPolarHBondContact O-CG2 3.44Å
2Q55.9Low55.3Low171 Ų171121.2 Ų121.280%0.79967%0.668SS**Hα-helixtrans-72.1-41.8178.6-93153.1-32.200115.1W4 V5 S6Q2-W4 VanDerWaalsContact C-N 3.32Å; Q2-W4 PolarHBondContact O-N 2.96Å; Q2-V5 PolarHBondContact O-N 3.04Å; Q2-S6 PolarHBondContact O-N 2.05Å; Q2-S6 PolarHBondContact O-OG 3.25Å
3A55.2Low55.5Low73 Ų73124.8 Ų124.860%0.60368%0.68SS**Hα-helixtrans-65-30.8-175.600000114.6S6 A7A3-S6 PolarHBondContact O-N 2.88Å; A3-A7 WeakPolarHBondContact O-CB 3.36Å; A3-A7 PolarHBondContact O-N 3.28Å
4W55.1Low55.8Low203 Ų203128.3 Ų128.377%0.76969%0.693SS**Hα-helixtrans-75.5-34.1179-62.684.7000112.2Q2 A7 L8Q2-W4 VanDerWaalsContact C-N 3.32Å; Q2-W4 PolarHBondContact O-N 2.96Å; W4-A7 PolarHBondContact O-N 3.39Å; W4-L8 PolarHBondContact O-N 2.73Å
5V57.5Low56.1Low92 Ų92131 Ų13156%0.55870%0.702SS**Hα-helixtrans-69.5-40173.2-178.80000109.6M1 Q2 L8 V9M1-V5 WeakPolarHBondContact O-CG2 3.44Å; Q2-V5 PolarHBondContact O-N 3.04Å; V5-L8 PolarHBondContact O-N 3.25Å; V5-V9 HydrophobicContact CG1-CG2 4.37Å; V5-V9 WeakPolarHBondContact O-CB 3.35Å; V5-V9 WeakPolarHBondContact O-CG2 3.25Å; V5-V9 PolarHBondContact O-N 3.2Å
6S55.5Low56.3Low70 Ų70129.8 Ų129.849%0.4970%0.7SS.*Hα-helixtrans-62-42173.8-51.10000112.7Q2 A3 V9 T10Q2-S6 PolarHBondContact O-N 2.05Å; Q2-S6 PolarHBondContact O-OG 3.25Å; A3-S6 PolarHBondContact O-N 2.88Å; S6-V9 PolarHBondContact O-N 3.28Å; S6-T10 WeakPolarHBondContact O-CG2 3.11Å; S6-T10 PolarHBondContact O-N 3.14Å; S6-T10 PolarHBondContact O-OG1 3Å; S6-T10 VanDerWaalsContact O-OG1 3.11Å
7A53.7Low56.6Low55 Ų55131.3 Ų131.346%0.45571%0.707SS.*Hα-helixtrans-69.4-32.517800000113.4A3 W4 T10 L11A3-A7 WeakPolarHBondContact O-CB 3.36Å; A3-A7 PolarHBondContact O-N 3.28Å; W4-A7 PolarHBondContact O-N 3.39Å; A7-T10 PolarHBondContact O-OG1 3.26Å; A7-L11 PolarHBondContact O-N 3.25Å
8L54.8Low57.2Low121 Ų121130.7 Ų130.763%0.63471%0.709SS**Hα-helixtrans-71.2-40172.2-111.988.5000111.8W4 V5 L11 T12W4-L8 PolarHBondContact O-N 2.73Å; V5-L8 PolarHBondContact O-N 3.25Å; L8-L11 PolarHBondContact O-N 3.19Å; L8-T12 WeakPolarHBondContact O-CG2 3.35Å; L8-T12 PolarHBondContact O-N 3.24Å; L8-T12 PolarHBondContact O-OG1 3.03Å
9V55.3Low58.4Low93 Ų93128.4 Ų128.456%0.56470%0.699SS**Hα-helixtrans-69.6-32.7-179.4170.60000111.9V5 S6 T12V5-V9 HydrophobicContact CG1-CG2 4.37Å; V5-V9 WeakPolarHBondContact O-CB 3.35Å; V5-V9 WeakPolarHBondContact O-CG2 3.25Å; V5-V9 PolarHBondContact O-N 3.2Å; S6-V9 PolarHBondContact O-N 3.28Å; V9-T12 PolarHBondContact O-OG1 3.24Å
10T56Low59.8Low111 Ų111126.4 Ų126.468%0.68169%0.688SS**Hα-helixtrans-74.8-27.9174510000113.2S6 A7S6-T10 WeakPolarHBondContact O-CG2 3.11Å; S6-T10 PolarHBondContact O-N 3.14Å; S6-T10 PolarHBondContact O-OG1 3Å; S6-T10 VanDerWaalsContact O-OG1 3.11Å; A7-T10 PolarHBondContact O-OG1 3.26Å
11L54.2Low61.5Low150 Ų150123.3 Ų123.379%0.78567%0.673SS**Hα-helixtrans-77.4-21.8178.3-16864.7000113A7 L8A7-L11 PolarHBondContact O-N 3.25Å; L8-L11 PolarHBondContact O-N 3.19Å
12T58.3Low63.6Low103 Ų103115.3 Ų115.363%0.63263%0.633SS**THydrogen-bonded Turntrans-88.53.3-176.649.30000115.5L8 V9L8-T12 WeakPolarHBondContact O-CG2 3.35Å; L8-T12 PolarHBondContact O-N 3.24Å; L8-T12 PolarHBondContact O-OG1 3.03Å; V9-T12 PolarHBondContact O-OG1 3.24Å
13M58Low65.6Low169 Ų169112.6 Ų112.683%0.83362%0.623SS**  trans-12143.7-175.4-155.7149.4-175.300114.2
14M59.2Low67.7Low173 Ų173109.6 Ų109.685%0.85260%0.596SS**  trans-119.277.2148-81.7-176.9-179.200107.5V16M14-V16 PolarHBondContact O-N 2.86Å
15M60Low69.7Low169 Ų169105.5 Ų105.583%0.83359%0.589SS**  trans-65.392.1154.3-76.2-178.8-162.500105.7L17M15-L17 VanDerWaalsContact C-N 3.29Å; M15-L17 PolarHBondContact O-N 2.82Å
16V60.1Low71.7Confident111 Ų111105.1 Ų105.167%0.67358%0.577SS**  trans-63.7101.9165179.80000104.9M14 T18M14-V16 PolarHBondContact O-N 2.86Å; V16-T18 HydrophobicContact CG1-CG2 4.28Å; V16-T18 PolarHBondContact O-N 3.26Å
17L61.6Low73.7Confident156 Ų156103.5 Ų103.582%0.81757%0.566SS**  trans-64.294.9168.1-67.8175000106.1M15 T19M15-L17 VanDerWaalsContact C-N 3.29Å; M15-L17 PolarHBondContact O-N 2.82Å; L17-T19 PolarHBondContact O-N 3.3Å; L17-T19 VanDerWaalsContact O-N 3.17Å
18T67.6Low75.8Confident120 Ų120104.3 Ų104.374%0.73656%0.56SS**  trans-69.3111.5170.754.70000106.9V16 D20V16-T18 HydrophobicContact CG1-CG2 4.28Å; V16-T18 PolarHBondContact O-N 3.26Å; T18-D20 PolarHBondContact O-N 3.28Å
19T78.5Confident77.9Confident87 Ų8798.5 Ų98.553%0.53453%0.53SS..  trans-69.6112.4169.251.60000107.8L17 T21L17-T19 PolarHBondContact O-N 3.3Å; L17-T19 VanDerWaalsContact O-N 3.17Å; T19-T21 PolarHBondContact O-N 2.65Å
20D87.9Confident79.9Confident89 Ų8994.1 Ų94.148%0.47650%0.503SS..  trans-69.4109174.6-169.711.5000108T18 N105 R106T18-D20 PolarHBondContact O-N 3.28Å; D20-N105 CarbonylContact O-C 3.46Å; D20-N105 WeakPolarHBondContact O-CA 3.5Å; D20-R106 HydrophobicContact CB-CG 4.49Å; D20-R106 WeakPolarHBondContact O-CB 3.12Å; D20-R106 PolarHBondContact O-N 3.19Å; D20-R106 WeakPolarHBondContact OD2-CD 3.2Å; D20-R106 IonicContact OD2-CZ 2.65Å; D20-R106 IonicContact OD2-NE 3.67Å; D20-R106 IonicContact OD2-NH1 2.67Å; D20-R106 PolarHBondContact OD2-NH1 2.99Å
21T93.8Very high81.9Confident61 Ų6191.8 Ų91.837%0.37449%0.485SS..  trans-106.1165.1-17661.90000110.9T19 R104T19-T21 PolarHBondContact O-N 2.65Å; T21-R104 VanDerWaalsContact CG2-O 3.29Å; T21-R104 WeakPolarHBondContact CG2-O 3.45Å
22K97.3Very high83.9Confident45 Ų4589 Ų8920%0.19647%0.466CS..  trans-151.1136.6179.5178.3162.7178.7145.60112.8Y24 E28 T61 R106K22-Y24 HydrophobicContact CB-CE2 4.45Å; K22-Y24 HydrophobicContact CD-CD1 4.16Å; K22-Y24 HydrophobicContact CD-CD2 4.28Å; K22-Y24 HydrophobicContact CD-CE1 3.99Å; K22-Y24 HydrophobicContact CD-CE2 4.13Å; K22-Y24 HydrophobicContact CD-CG 4.31Å; K22-Y24 HydrophobicContact CG-CD2 4.08Å; K22-Y24 HydrophobicContact CG-CE2 4.23Å; K22-Y24 HydrophobicContact CG-CG 4.32Å; K22-E28 WeakPolarHBondContact CE-OE1 3.28Å; K22-E28 WeakPolarHBondContact CE-OE2 3.48Å; K22-E28 IonicContact NZ-OE1 2.9Å; K22-E28 PolarHBondContact NZ-OE1 3.32Å; K22-E28 IonicContact NZ-OE2 3.66Å; K22-E28 PolarHBondContact NZ-OE2 2.92Å; K22-T61 PolarHBondContact N-OG1 2.9Å; K22-T61 WeakPolarHBondContact O-CG2 3.37Å; K22-T61 PolarHBondContact O-N 3.27Å; K22-T61 PolarHBondContact O-OG1 3.04Å; K22-R106 HydrophobicContact CB-CB 3.74Å
23I98.5Very high85.8Confident114 Ų11484.1 Ų84.159%0.58544%0.436SS*.BIsolated β-bridgetrans-91.6119.4157-53.9179.1000107.3F59 D60I23-F59 WeakPolarHBondContact CA-O 3.31Å; I23-D60 HydrophobicContact CG1-CB 3.94Å
24Y98.5Very high87.7Confident9 Ų976.8 Ų76.84%0.03540%0.403CS..PPolyproline II helixtrans-83.3138.5-178.7-86-86.8000112.5K22 E28 L29 F59 T61 I76 R106 I108K22-Y24 HydrophobicContact CB-CE2 4.45Å; K22-Y24 HydrophobicContact CD-CD1 4.16Å; K22-Y24 HydrophobicContact CD-CD2 4.28Å; K22-Y24 HydrophobicContact CD-CE1 3.99Å; K22-Y24 HydrophobicContact CD-CE2 4.13Å; K22-Y24 HydrophobicContact CD-CG 4.31Å; K22-Y24 HydrophobicContact CG-CD2 4.08Å; K22-Y24 HydrophobicContact CG-CE2 4.23Å; K22-Y24 HydrophobicContact CG-CG 4.32Å; Y24-E28 HydrophobicContact CD1-CB 4.34Å; Y24-E28 HydrophobicContact CD1-CG 3.95Å; Y24-E28 HydrophobicContact CE1-CG 4.17Å; Y24-L29 HydrophobicContact CD1-CB 4.38Å; Y24-L29 HydrophobicContact CD2-CD1 4.43Å; Y24-L29 HydrophobicContact CG-CB 4.33Å; Y24-L29 HydrophobicContact CG-CD1 4.25Å; Y24-F59 PolarHBondContact N-O 3.41Å; Y24-F59 WeakPolarHBondContact O-CB 3.46Å; Y24-F59 WeakPolarHBondContact O-CD2 3.38Å; Y24-T61 HydrophobicContact CD2-CG2 3.9Å; Y24-T61 HydrophobicContact CE2-CG2 3.74Å; Y24-I76 HydrophobicContact CD2-CD1 4.05Å; Y24-R106 PolarHBondContact OH-O 3.44Å; Y24-I108 HydrophobicContact CE2-CD1 4.27Å; Y24-I108 HydrophobicContact CE2-CG1 4.42Å; Y24-I108 HydrophobicContact CE2-CG2 3.84Å
25D98.3Very high89.4Confident118 Ų11876.4 Ų76.463%0.63140%0.396SS*.PPolyproline II helixtrans-68.6143.7162.6-72.1-43.8000110.6C27 E28 L29D25-C27 PolarHBondContact O-N 3.22Å; D25-E28 HydrophobicContact CB-CB 4.15Å; D25-E28 WeakPolarHBondContact O-CB 3.36Å; D25-E28 PolarHBondContact O-N 3.07Å; D25-L29 PolarHBondContact O-N 3.48Å
26R98.3Very high91.1Very high83 Ų8370.2 Ų70.231%0.31337%0.372SS..Hα-helixtrans-48.9-51.3-176.9-178.8178.460.284.6-1.6113.4A30 L50 F59 W143 K145 C147R26-A30 WeakPolarHBondContact O-CB 3.08Å; R26-A30 PolarHBondContact O-N 2.9Å; R26-L50 HydrophobicContact CG-CD1 4.35Å; R26-F59 HydrophobicContact CB-CE2 4.06Å; R26-F59 HydrophobicContact CG-CE2 4.45Å; R26-W143 WeakPolarHBondContact CD-O 3.35Å; R26-W143 VanDerWaalsContact NH1-C 3.31Å; R26-W143 PolarHBondContact NH1-O 3.38Å; R26-K145 PolarHBondContact NH1-O 3.15Å; R26-K145 PolarHBondContact NH2-O 3.04Å; R26-C147 PolarHBondContact NH1-SG 2.89Å
27C98.2Very high92.8Very high37 Ų3766.8 Ų66.825%0.2536%0.359CS..Hα-helixtrans-75.2-28.5-178-70.10000113.4D25 A30 Q31 C147D25-C27 PolarHBondContact O-N 3.22Å; C27-A30 PolarHBondContact O-N 2.83Å; C27-Q31 WeakPolarHBondContact O-CG 3.34Å; C27-Q31 PolarHBondContact O-N 3.39Å; C27-C147 WeakPolarHBondContact CA-SG 3.22Å; C27-C147 HydrophobicContact CB-CB 3.75Å; C27-C147 WeakPolarHBondContact CB-SG 3.23Å; C27-C147 WeakPolarHBondContact SG-CA 3.33Å; C27-C147 WeakPolarHBondContact SG-CB 3.33Å; C27-C147 CovalentContact SG-SG 2.05Å; C27-C147 PolarHBondContact SG-SG 3.24Å
28E97.9Very high94.4Very high71 Ų7159.4 Ų59.433%0.33232%0.32SS..Hα-helixtrans-65.2-47.6172.7-173.4-171.8170.400110.1K22 Y24 D25 A30 Q31 K32K22-E28 WeakPolarHBondContact CE-OE1 3.28Å; K22-E28 WeakPolarHBondContact CE-OE2 3.48Å; K22-E28 IonicContact NZ-OE1 2.9Å; K22-E28 PolarHBondContact NZ-OE1 3.32Å; K22-E28 IonicContact NZ-OE2 3.66Å; K22-E28 PolarHBondContact NZ-OE2 2.92Å; Y24-E28 HydrophobicContact CD1-CB 4.34Å; Y24-E28 HydrophobicContact CD1-CG 3.95Å; Y24-E28 HydrophobicContact CE1-CG 4.17Å; D25-E28 HydrophobicContact CB-CB 4.15Å; D25-E28 WeakPolarHBondContact O-CB 3.36Å; D25-E28 PolarHBondContact O-N 3.07Å; E28-A30 VanDerWaalsContact C-N 3.34Å; E28-A30 PolarHBondContact O-N 3.44Å; E28-Q31 PolarHBondContact O-N 3.1Å; E28-K32 PolarHBondContact O-N 3.31Å
29L98.4Very high95.8Very high0 Ų055.9 Ų55.90%030%0.297CS..Hα-helixtrans-59.9-46.5174.9-173.756.3000110.7Y24 D25 Q31 K32 L33 L50 A53 F59 I76 I108Y24-L29 HydrophobicContact CD1-CB 4.38Å; Y24-L29 HydrophobicContact CD2-CD1 4.43Å; Y24-L29 HydrophobicContact CG-CB 4.33Å; Y24-L29 HydrophobicContact CG-CD1 4.25Å; D25-L29 PolarHBondContact O-N 3.48Å; L29-Q31 VanDerWaalsContact C-N 3.28Å; L29-Q31 PolarHBondContact O-N 3.17Å; L29-K32 WeakPolarHBondContact O-CA 2.99Å; L29-K32 WeakPolarHBondContact O-CB 3.41Å; L29-K32 PolarHBondContact O-N 3.17Å; L29-L33 HydrophobicContact CD1-CD1 4.17Å; L29-L33 HydrophobicContact CD1-CD2 4.09Å; L29-L33 HydrophobicContact CD1-CG 3.95Å; L29-L33 HydrophobicContact CD2-CD1 4.45Å; L29-L33 HydrophobicContact CG-CD1 3.8Å; L29-L33 HydrophobicContact CG-CG 4.06Å; L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 2.86Å; L29-L50 HydrophobicContact CB-CD2 3.88Å; L29-L50 HydrophobicContact CD2-CD2 3.73Å; L29-L50 HydrophobicContact CG-CD2 3.72Å; L29-A53 HydrophobicContact CD2-CB 4.22Å; L29-F59 HydrophobicContact CD2-CB 4.33Å; L29-F59 HydrophobicContact CD2-CD1 3.31Å; L29-F59 HydrophobicContact CD2-CE1 3.64Å; L29-F59 HydrophobicContact CD2-CG 3.92Å; L29-F59 HydrophobicContact CD2-CZ 4.49Å; L29-I76 HydrophobicContact CD1-CD1 3.82Å; L29-I76 HydrophobicContact CD2-CD1 3.86Å; L29-I108 HydrophobicContact CD1-CD1 3.37Å
30A98.3Very high96.6Very high0 Ų056.3 Ų56.30%030%0.296CS..Hα-helixtrans-53.2-46.4178.300000112R26 C27 E28 A34 I46 L50 C147 L149R26-A30 WeakPolarHBondContact O-CB 3.08Å; R26-A30 PolarHBondContact O-N 2.9Å; C27-A30 PolarHBondContact O-N 2.83Å; E28-A30 VanDerWaalsContact C-N 3.34Å; E28-A30 PolarHBondContact O-N 3.44Å; A30-A34 VanDerWaalsContact O-CB 3.23Å; A30-A34 WeakPolarHBondContact O-CB 3.29Å; A30-A34 PolarHBondContact O-N 3.43Å; A30-I46 HydrophobicContact CB-CG2 3.94Å; A30-L50 HydrophobicContact CB-CD1 3.73Å; A30-L50 HydrophobicContact CB-CD2 4.35Å; A30-L50 HydrophobicContact CB-CG 4.5Å; A30-C147 HydrophobicContact CB-CB 4.46Å; A30-L149 HydrophobicContact CB-CD2 3.74Å
31Q97.1Very high97Very high63 Ų6353.7 Ų53.729%0.29428%0.28SS..Hα-helixtrans-65.7-39.6176.2-73179.8-300112.3C27 E28 L29 K35 H148 L149C27-Q31 WeakPolarHBondContact O-CG 3.34Å; C27-Q31 PolarHBondContact O-N 3.39Å; E28-Q31 PolarHBondContact O-N 3.1Å; L29-Q31 VanDerWaalsContact C-N 3.28Å; L29-Q31 PolarHBondContact O-N 3.17Å; Q31-K35 WeakPolarHBondContact O-CB 3.43Å; Q31-K35 VanDerWaalsContact O-CG 3.22Å; Q31-K35 WeakPolarHBondContact O-CG 3.01Å; Q31-K35 PolarHBondContact O-N 3.16Å; Q31-H148 PolarHBondContact NE2-O 3.07Å; Q31-L149 HydrophobicContact CG-CD2 4.07Å
32K97.1Very high97.1Very high92 Ų9254.9 Ų54.940%0.428%0.283SS..Hα-helixtrans-62.9-48.2178.2-16276.9172.8-170.80111.1E28 L29 K35 A36 I108E28-K32 PolarHBondContact O-N 3.31Å; L29-K32 WeakPolarHBondContact O-CA 2.99Å; L29-K32 WeakPolarHBondContact O-CB 3.41Å; L29-K32 PolarHBondContact O-N 3.17Å; K32-K35 PolarHBondContact O-N 2.95Å; K32-A36 WeakPolarHBondContact O-CB 3.48Å; K32-A36 PolarHBondContact O-N 3.24Å; K32-I108 HydrophobicContact CG-CD1 4.02Å; K32-I108 HydrophobicContact CG-CG1 4.14Å
33L97.8Very high97.1Very high0 Ų055.4 Ų55.40%030%0.301CS..Hα-helixtrans-64-43.2178-60.8174.7000111.5L29 A36 G37 L38 I46 W49 L50 F77 I108 I112L29-L33 HydrophobicContact CD1-CD1 4.17Å; L29-L33 HydrophobicContact CD1-CD2 4.09Å; L29-L33 HydrophobicContact CD1-CG 3.95Å; L29-L33 HydrophobicContact CD2-CD1 4.45Å; L29-L33 HydrophobicContact CG-CD1 3.8Å; L29-L33 HydrophobicContact CG-CG 4.06Å; L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 2.86Å; L33-A36 CarbonylContact O-C 3.56Å; L33-A36 PolarHBondContact O-N 3.11Å; L33-G37 PolarHBondContact O-N 3.35Å; L33-L38 HydrophobicContact CB-CB 4.36Å; L33-L38 HydrophobicContact CB-CD1 3.84Å; L33-L38 HydrophobicContact CD2-CD1 3.41Å; L33-L38 VanDerWaalsContact CD2-CD1 3.41Å; L33-L38 HydrophobicContact CG-CD1 4.14Å; L33-L38 WeakPolarHBondContact O-CB 3.24Å; L33-L38 PolarHBondContact O-N 3.49Å; L33-L38 VanDerWaalsContact O-N 3.1Å; L33-I46 HydrophobicContact CB-CD1 3.91Å; L33-W49 HydrophobicContact CD1-CB 3.77Å; L33-L50 HydrophobicContact CD1-CD2 3.99Å; L33-L50 HydrophobicContact CD1-CG 4.28Å; L33-F77 HydrophobicContact CD2-CZ 3.85Å; L33-I108 HydrophobicContact CD2-CD1 4.27Å; L33-I112 HydrophobicContact CD2-CD1 3.86Å; L33-I112 HydrophobicContact CD2-CG1 3.98Å
34A96.3Very high97Very high15 Ų1552 Ų5212%0.12428%0.281CS..Hα-helixtrans-60.3-47.7175.200000112.1A30 A36 G37 I46 L151A30-A34 VanDerWaalsContact O-CB 3.23Å; A30-A34 WeakPolarHBondContact O-CB 3.29Å; A30-A34 PolarHBondContact O-N 3.43Å; A34-A36 PolarHBondContact O-N 3.32Å; A34-G37 PolarHBondContact O-N 3Å; A34-I46 HydrophobicContact CB-CD1 4.09Å; A34-I46 HydrophobicContact CB-CG1 4.24Å; A34-L151 HydrophobicContact CB-CD2 3.95Å
35K95.3Very high97Very high164 Ų16453.8 Ų53.871%0.71330%0.295SS*.Hα-helixtrans-61.9-31.8176.1-75.1171.9-178.1174.60112.5Q31 K32 G37Q31-K35 WeakPolarHBondContact O-CB 3.43Å; Q31-K35 VanDerWaalsContact O-CG 3.22Å; Q31-K35 WeakPolarHBondContact O-CG 3.01Å; Q31-K35 PolarHBondContact O-N 3.16Å; K32-K35 PolarHBondContact O-N 2.95Å; K35-G37 PolarHBondContact O-N 3.33Å
36A96Very high97Very high40 Ų4048.2 Ų48.233%0.33127%0.265SS..THydrogen-bonded Turntrans-78.72.6174.900000113.8K32 L33 A34 I112 K116K32-A36 WeakPolarHBondContact O-CB 3.48Å; K32-A36 PolarHBondContact O-N 3.24Å; L33-A36 CarbonylContact O-C 3.56Å; L33-A36 PolarHBondContact O-N 3.11Å; A34-A36 PolarHBondContact O-N 3.32Å; A36-I112 HydrophobicContact CB-CD1 3.7Å; A36-I112 HydrophobicContact CB-CG2 4Å; A36-K116 PolarHBondContact O-NZ 3.46Å
37G95.3Very high97Very high39 Ų3944.4 Ų44.440%0.40225%0.252SS..THydrogen-bonded Turntrans70.741.7176.300000112.7L33 A34 K35 K116L33-G37 PolarHBondContact O-N 3.35Å; A34-G37 PolarHBondContact O-N 3Å; K35-G37 PolarHBondContact O-N 3.33Å; G37-K116 WeakPolarHBondContact O-CE 3.39Å; G37-K116 PolarHBondContact O-NZ 2.03Å
38L96.9Very high97Very high0 Ų043.9 Ų43.90%025%0.246CC..  trans-92-14.1171.5-74171.9000113.2L33 N40 F41 I46 W49 I112 K116L33-L38 HydrophobicContact CB-CB 4.36Å; L33-L38 HydrophobicContact CB-CD1 3.84Å; L33-L38 HydrophobicContact CD2-CD1 3.41Å; L33-L38 VanDerWaalsContact CD2-CD1 3.41Å; L33-L38 HydrophobicContact CG-CD1 4.14Å; L33-L38 WeakPolarHBondContact O-CB 3.24Å; L33-L38 PolarHBondContact O-N 3.49Å; L33-L38 VanDerWaalsContact O-N 3.1Å; L38-N40 PolarHBondContact O-N 3.32Å; L38-F41 HydrophobicContact CD2-CB 4.45Å; L38-F41 WeakPolarHBondContact O-CB 3.46Å; L38-F41 PolarHBondContact O-N 3.13Å; L38-F41 VanDerWaalsContact O-N 3.14Å; L38-I46 HydrophobicContact CB-CD1 4.04Å; L38-W49 HydrophobicContact CB-CD2 4.47Å; L38-W49 HydrophobicContact CB-CG 4.28Å; L38-W49 HydrophobicContact CD1-CD2 4.09Å; L38-W49 HydrophobicContact CD1-CE3 4.34Å; L38-W49 HydrophobicContact CD1-CG 4.25Å; L38-W49 HydrophobicContact CD2-CD2 4.03Å; L38-W49 HydrophobicContact CD2-CE3 4.38Å; L38-W49 HydrophobicContact CD2-CH2 3.9Å; L38-W49 HydrophobicContact CD2-CZ2 3.53Å; L38-W49 HydrophobicContact CD2-CZ3 4.33Å; L38-W49 HydrophobicContact CG-CD2 4.45Å; L38-W49 PolarHBondContact O-NE1 3.21Å; L38-I112 HydrophobicContact CD1-CB 4.49Å; L38-I112 HydrophobicContact CD1-CD1 4.4Å; L38-I112 HydrophobicContact CD1-CG1 4.04Å; L38-I112 HydrophobicContact CD1-CG2 3.76Å; L38-I112 HydrophobicContact CD2-CG2 4.14Å; L38-I112 HydrophobicContact CG-CG2 3.98Å; L38-K116 HydrophobicContact CD2-CD 4.16Å; L38-K116 HydrophobicContact CD2-CG 3.75Å
39N95.4Very high97Very high46 Ų4640.5 Ų40.525%0.24623%0.23CC..THydrogen-bonded Turntrans-65.4119.4176.3-172.354.9000110.4F41 I46 L151N39-F41 PolarHBondContact O-N 2.6Å; N39-I46 HydrophobicContact CB-CD1 3.94Å; N39-I46 HydrophobicContact CB-CG1 3.82Å; N39-L151 HydrophobicContact CB-CD2 3.8Å
40N95.4Very high97Very high96 Ų9640.5 Ų40.551%0.51323%0.23SC..THydrogen-bonded Turntrans62.319.8-175.5-162.147.6000114.2L38 M42 G43 Y44L38-N40 PolarHBondContact O-N 3.32Å; N40-M42 PolarHBondContact O-N 3.39Å; N40-G43 PolarHBondContact O-N 2.75Å; N40-Y44 CarbonylContact C-O 3.59Å; N40-Y44 WeakPolarHBondContact CA-O 3.33Å; N40-Y44 PolarHBondContact N-O 2.99Å
41F96.9Very high97.1Very high34 Ų3440.5 Ų40.515%0.14923%0.231CC..BIsolated β-bridgetrans-68.3119.3173.4178.4-93.1000109L38 N39 G43 Y44 W49 K116 V119 K120L38-F41 HydrophobicContact CD2-CB 4.45Å; L38-F41 WeakPolarHBondContact O-CB 3.46Å; L38-F41 PolarHBondContact O-N 3.13Å; L38-F41 VanDerWaalsContact O-N 3.14Å; N39-F41 PolarHBondContact O-N 2.6Å; F41-G43 PolarHBondContact O-N 2.9Å; F41-G43 VanDerWaalsContact O-N 3.16Å; F41-Y44 PolarHBondContact N-O 3.37Å; F41-Y44 PolarHBondContact O-N 3.01Å; F41-Y44 VanDerWaalsContact O-N 3.07Å; F41-W49 AromaticContact CD1-CZ2 3.97Å; F41-W49 HydrophobicContact CD1-CZ2 3.97Å; F41-K116 HydrophobicContact CD1-CG 4.19Å; F41-K116 HydrophobicContact CD2-CD 4.26Å; F41-K116 HydrophobicContact CD2-CG 4.36Å; F41-K116 HydrophobicContact CE1-CB 3.97Å; F41-K116 HydrophobicContact CE1-CG 3.75Å; F41-K116 HydrophobicContact CE2-CB 4.32Å; F41-K116 HydrophobicContact CE2-CD 3.93Å; F41-K116 HydrophobicContact CE2-CG 3.94Å; F41-K116 HydrophobicContact CG-CG 4.46Å; F41-K116 HydrophobicContact CZ-CB 3.65Å; F41-K116 HydrophobicContact CZ-CD 4.09Å; F41-K116 HydrophobicContact CZ-CG 3.6Å; F41-V119 HydrophobicContact CD1-CG1 4.44Å; F41-V119 HydrophobicContact CE1-CB 4.19Å; F41-V119 HydrophobicContact CE1-CG1 4.12Å; F41-K120 HydrophobicContact CZ-CD 4.23Å; F41-K120 HydrophobicContact CZ-CG 4.03Å
42M96.5Very high97.1Very high86 Ų8637.5 Ų37.542%0.42422%0.217SC..THydrogen-bonded Turntrans55.328-175.7-61-75.3-69.600113.3N40 Y44 V119 K120N40-M42 PolarHBondContact O-N 3.39Å; M42-Y44 HydrophobicContact CB-CD2 4.15Å; M42-Y44 HydrophobicContact CB-CE2 4.39Å; M42-Y44 WeakPolarHBondContact O-CD2 3.37Å; M42-V119 HydrophobicContact CB-CG1 3.82Å; M42-V119 HydrophobicContact CG-CG1 3.93Å; M42-K120 HydrophobicContact SD-CG 4.34Å
43G96.1Very high97.2Very high57 Ų5733.1 Ų33.159%0.58820%0.198SC*.THydrogen-bonded Turntrans85.6-0.5-17900000115.4N40 F41N40-G43 PolarHBondContact O-N 2.75Å; F41-G43 PolarHBondContact O-N 2.9Å; F41-G43 VanDerWaalsContact O-N 3.16Å
44Y97.7Very high97.3Very high42 Ų4236.8 Ų36.817%0.16522%0.215CC..BIsolated β-bridgetrans-93.1133-180-63.3-77.9000112N40 F41 M42 D48 V119 G124 M125 W131N40-Y44 CarbonylContact C-O 3.59Å; N40-Y44 WeakPolarHBondContact CA-O 3.33Å; N40-Y44 PolarHBondContact N-O 2.99Å; F41-Y44 PolarHBondContact N-O 3.37Å; F41-Y44 PolarHBondContact O-N 3.01Å; F41-Y44 VanDerWaalsContact O-N 3.07Å; M42-Y44 HydrophobicContact CB-CD2 4.15Å; M42-Y44 HydrophobicContact CB-CE2 4.39Å; M42-Y44 WeakPolarHBondContact O-CD2 3.37Å; Y44-D48 HydrophobicContact CD1-CB 4.11Å; Y44-V119 HydrophobicContact CD2-CG1 4.2Å; Y44-V119 HydrophobicContact CE2-CG1 4.07Å; Y44-G124 WeakPolarHBondContact OH-CA 3.39Å; Y44-M125 HydrophobicContact CD1-CB 4.47Å; Y44-M125 HydrophobicContact CD1-CG 3.91Å; Y44-M125 HydrophobicContact CD1-SD 3.6Å; Y44-M125 HydrophobicContact CD2-CG 3.95Å; Y44-M125 HydrophobicContact CD2-SD 4.26Å; Y44-M125 HydrophobicContact CE1-CB 4.02Å; Y44-M125 HydrophobicContact CE1-CG 3.88Å; Y44-M125 HydrophobicContact CE1-SD 4.12Å; Y44-M125 HydrophobicContact CE2-CG 3.92Å; Y44-M125 HydrophobicContact CG-CG 3.94Å; Y44-M125 HydrophobicContact CG-SD 3.67Å; Y44-M125 PolarHBondContact OH-N 3.22Å; Y44-W131 HydrophobicContact CD1-CZ2 4.03Å; Y44-W131 AromaticContact CE1-CH2 3.7Å; Y44-W131 HydrophobicContact CE1-CH2 3.7Å; Y44-W131 AromaticContact CE1-CZ2 3.5Å; Y44-W131 HydrophobicContact CE1-CZ2 3.5Å
45S97.3Very high97.4Very high46 Ų4641.1 Ų41.132%0.32223%0.228SC..  trans-79.5168.1178.377.80000111.6G47 D48 W49S45-G47 PolarHBondContact O-N 3.3Å; S45-G47 PolarHBondContact OG-N 3.1Å; S45-G47 VanDerWaalsContact OG-N 3.11Å; S45-D48 WeakPolarHBondContact CA-OD2 3.36Å; S45-D48 VanDerWaalsContact CB-OD2 3.28Å; S45-D48 WeakPolarHBondContact CB-OD2 3.46Å; S45-D48 PolarHBondContact N-OD2 3.48Å; S45-D48 WeakPolarHBondContact O-CB 3.37Å; S45-D48 PolarHBondContact O-N 2.89Å; S45-D48 VanDerWaalsContact O-N 3.13Å; S45-D48 PolarHBondContact OG-N 2.78Å; S45-D48 PolarHBondContact OG-OD2 2.98Å; S45-W49 PolarHBondContact O-N 3.12Å
46I98.1Very high97.5Very high2 Ų234.6 Ų34.61%0.0120%0.201CC..Hα-helixtrans-59.5-29169.5-62.7-59.7000112A30 L33 A34 L38 N39 D48 W49 L50 T144A30-I46 HydrophobicContact CB-CG2 3.94Å; L33-I46 HydrophobicContact CB-CD1 3.91Å; A34-I46 HydrophobicContact CB-CD1 4.09Å; A34-I46 HydrophobicContact CB-CG1 4.24Å; L38-I46 HydrophobicContact CB-CD1 4.04Å; N39-I46 HydrophobicContact CB-CD1 3.94Å; N39-I46 HydrophobicContact CB-CG1 3.82Å; I46-D48 VanDerWaalsContact C-N 3.31Å; I46-D48 PolarHBondContact O-N 2.67Å; I46-W49 PolarHBondContact O-N 3Å; I46-L50 HydrophobicContact CG2-CD1 3.83Å; I46-L50 HydrophobicContact CG2-CG 4.11Å; I46-L50 WeakPolarHBondContact O-CB 3.22Å; I46-L50 VanDerWaalsContact O-CG 3.28Å; I46-L50 WeakPolarHBondContact O-CG 3.34Å; I46-L50 PolarHBondContact O-N 2.99Å; I46-T144 HydrophobicContact CB-CG2 4.11Å; I46-T144 HydrophobicContact CG2-CG2 3.98Å
47G98.3Very high97.6Very high2 Ų233.1 Ų33.12%0.02119%0.188CC..Hα-helixtrans-62.6-38175.400000112.6S45 L50 C51S45-G47 PolarHBondContact O-N 3.3Å; S45-G47 PolarHBondContact OG-N 3.1Å; S45-G47 VanDerWaalsContact OG-N 3.11Å; G47-L50 PolarHBondContact O-N 2.73Å; G47-C51 VanDerWaalsContact O-CB 3.29Å; G47-C51 WeakPolarHBondContact O-CB 3.48Å; G47-C51 PolarHBondContact O-N 3.31Å
48D98.6Very high97.8Very high26 Ų2633 Ų3314%0.13919%0.187CC..Hα-helixtrans-62-48.3176.4-62.6-86.5000111.8Y44 S45 I46 L50 C51 M52 M125 L140Y44-D48 HydrophobicContact CD1-CB 4.11Å; S45-D48 WeakPolarHBondContact CA-OD2 3.36Å; S45-D48 VanDerWaalsContact CB-OD2 3.28Å; S45-D48 WeakPolarHBondContact CB-OD2 3.46Å; S45-D48 PolarHBondContact N-OD2 3.48Å; S45-D48 WeakPolarHBondContact O-CB 3.37Å; S45-D48 PolarHBondContact O-N 2.89Å; S45-D48 VanDerWaalsContact O-N 3.13Å; S45-D48 PolarHBondContact OG-N 2.78Å; S45-D48 PolarHBondContact OG-OD2 2.98Å; I46-D48 VanDerWaalsContact C-N 3.31Å; I46-D48 PolarHBondContact O-N 2.67Å; D48-L50 PolarHBondContact O-N 2.97Å; D48-C51 PolarHBondContact O-N 3.26Å; D48-M52 PolarHBondContact O-N 3.48Å; D48-M125 HydrophobicContact CB-SD 3.88Å; D48-L140 HydrophobicContact CB-CD1 4.27Å; D48-L140 WeakPolarHBondContact OD1-CD1 3.29Å
49W98.6Very high97.9Very high0 Ų033.8 Ų33.80%019%0.19CC..Hα-helixtrans-65.3-38.1178.9-65.1102.2000112.8L33 L38 F41 S45 I46 M52 A53 A115 V119 M125L33-W49 HydrophobicContact CD1-CB 3.77Å; L38-W49 HydrophobicContact CB-CD2 4.47Å; L38-W49 HydrophobicContact CB-CG 4.28Å; L38-W49 HydrophobicContact CD1-CD2 4.09Å; L38-W49 HydrophobicContact CD1-CE3 4.34Å; L38-W49 HydrophobicContact CD1-CG 4.25Å; L38-W49 HydrophobicContact CD2-CD2 4.03Å; L38-W49 HydrophobicContact CD2-CE3 4.38Å; L38-W49 HydrophobicContact CD2-CH2 3.9Å; L38-W49 HydrophobicContact CD2-CZ2 3.53Å; L38-W49 HydrophobicContact CD2-CZ3 4.33Å; L38-W49 HydrophobicContact CG-CD2 4.45Å; L38-W49 PolarHBondContact O-NE1 3.21Å; F41-W49 AromaticContact CD1-CZ2 3.97Å; F41-W49 HydrophobicContact CD1-CZ2 3.97Å; S45-W49 PolarHBondContact O-N 3.12Å; I46-W49 PolarHBondContact O-N 3Å; W49-M52 HydrophobicContact CE3-CE 3.81Å; W49-M52 HydrophobicContact CZ3-CE 4.02Å; W49-A53 VanDerWaalsContact O-CB 3.31Å; W49-A53 WeakPolarHBondContact O-CB 3.38Å; W49-A53 PolarHBondContact O-N 3Å; W49-A115 HydrophobicContact CH2-CB 4.44Å; W49-A115 HydrophobicContact CZ3-CB 3.9Å; W49-V119 HydrophobicContact CH2-CB 4.43Å; W49-V119 HydrophobicContact CH2-CG2 3.53Å; W49-V119 HydrophobicContact CZ2-CG2 4.14Å; W49-V119 HydrophobicContact CZ3-CG2 4.35Å; W49-M125 HydrophobicContact CD2-CE 4.23Å; W49-M125 HydrophobicContact CD2-SD 4.42Å; W49-M125 HydrophobicContact CE3-CE 3.99Å; W49-M125 HydrophobicContact CZ2-SD 4.46Å; W49-M125 HydrophobicContact CZ3-CE 4.25Å
50L98.8Very high98Very high0 Ų033.2 Ų33.20%019%0.187CC..Hα-helixtrans-69-42.4175.2-71.9172.5000111.8R26 L29 A30 L33 I46 G47 D48 A53 H54 F59 W143 T144R26-L50 HydrophobicContact CG-CD1 4.35Å; L29-L50 HydrophobicContact CB-CD2 3.88Å; L29-L50 HydrophobicContact CD2-CD2 3.73Å; L29-L50 HydrophobicContact CG-CD2 3.72Å; A30-L50 HydrophobicContact CB-CD1 3.73Å; A30-L50 HydrophobicContact CB-CD2 4.35Å; A30-L50 HydrophobicContact CB-CG 4.5Å; L33-L50 HydrophobicContact CD1-CD2 3.99Å; L33-L50 HydrophobicContact CD1-CG 4.28Å; I46-L50 HydrophobicContact CG2-CD1 3.83Å; I46-L50 HydrophobicContact CG2-CG 4.11Å; I46-L50 WeakPolarHBondContact O-CB 3.22Å; I46-L50 VanDerWaalsContact O-CG 3.28Å; I46-L50 WeakPolarHBondContact O-CG 3.34Å; I46-L50 PolarHBondContact O-N 2.99Å; G47-L50 PolarHBondContact O-N 2.73Å; D48-L50 PolarHBondContact O-N 2.97Å; L50-A53 PolarHBondContact O-N 2.93Å; L50-H54 WeakPolarHBondContact O-CB 3.37Å; L50-H54 PolarHBondContact O-N 2.82Å; L50-F59 HydrophobicContact CD2-CE1 4.27Å; L50-F59 HydrophobicContact CD2-CZ 4.32Å; L50-F59 VanDerWaalsContact O-CE1 3.23Å; L50-F59 WeakPolarHBondContact O-CE1 3.06Å; L50-W143 HydrophobicContact CB-CB 4.07Å; L50-W143 HydrophobicContact CB-CD2 4.3Å; L50-W143 HydrophobicContact CB-CE3 4Å; L50-W143 HydrophobicContact CB-CG 4.35Å; L50-W143 HydrophobicContact CD1-CB 4.06Å; L50-W143 VanDerWaalsContact CD1-O 3.25Å; L50-W143 WeakPolarHBondContact CD1-O 3.37Å; L50-T144 HydrophobicContact CD1-CG2 4.19Å
51C98.8Very high98.2Very high1 Ų128.6 Ų28.61%0.00716%0.163CC..Hα-helixtrans-61.6-48.5177.4-174.20000110.8G47 D48 H54 Y55 C135 L140 W143G47-C51 VanDerWaalsContact O-CB 3.29Å; G47-C51 WeakPolarHBondContact O-CB 3.48Å; G47-C51 PolarHBondContact O-N 3.31Å; D48-C51 PolarHBondContact O-N 3.26Å; C51-H54 PolarHBondContact O-N 2.94Å; C51-Y55 WeakPolarHBondContact O-CD2 3.34Å; C51-Y55 PolarHBondContact O-N 3.09Å; C51-Y55 VanDerWaalsContact O-N 3.17Å; C51-C135 HydrophobicContact CB-CB 3.78Å; C51-C135 WeakPolarHBondContact CB-SG 3.08Å; C51-C135 VanDerWaalsContact SG-CA 3.55Å; C51-C135 WeakPolarHBondContact SG-CB 3.45Å; C51-C135 CovalentContact SG-SG 2.03Å; C51-C135 PolarHBondContact SG-SG 3.16Å; C51-L140 HydrophobicContact CB-CD1 4.11Å; C51-L140 HydrophobicContact CB-CD2 4.08Å; C51-W143 HydrophobicContact CB-CD2 4.27Å; C51-W143 HydrophobicContact CB-CG 4.45Å; C51-W143 HydrophobicContact CB-CZ2 4.12Å
52M98.7Very high98.2Very high0 Ų028.4 Ų28.40%017%0.165CC..Hα-helixtrans-56.5-55.7175.8179.7-90-75.400111.2D48 W49 H54 Y55 E56 F77 M125 W128 W131D48-M52 PolarHBondContact O-N 3.48Å; W49-M52 HydrophobicContact CE3-CE 3.81Å; W49-M52 HydrophobicContact CZ3-CE 4.02Å; M52-H54 PolarHBondContact O-N 2.85Å; M52-H54 VanDerWaalsContact O-N 3.17Å; M52-Y55 PolarHBondContact O-N 2.91Å; M52-Y55 VanDerWaalsContact O-N 3.16Å; M52-E56 HydrophobicContact CG-CG 3.98Å; M52-E56 WeakPolarHBondContact O-CB 3.26Å; M52-E56 VanDerWaalsContact O-CG 3.27Å; M52-E56 WeakPolarHBondContact O-CG 3.44Å; M52-E56 PolarHBondContact O-N 3.02Å; M52-E56 HydrophobicContact SD-CB 4.44Å; M52-E56 HydrophobicContact SD-CG 3.75Å; M52-F77 HydrophobicContact CE-CB 4.15Å; M52-F77 HydrophobicContact CE-CD1 3.4Å; M52-F77 VanDerWaalsContact CE-CD1 3.4Å; M52-F77 HydrophobicContact CE-CE1 3.95Å; M52-F77 HydrophobicContact CE-CG 3.89Å; M52-F77 HydrophobicContact SD-CB 4.19Å; M52-F77 HydrophobicContact SD-CD1 3.73Å; M52-F77 HydrophobicContact SD-CG 4.33Å; M52-M125 HydrophobicContact CB-CE 3.63Å; M52-M125 HydrophobicContact CE-CE 3.93Å; M52-M125 HydrophobicContact CG-CE 3.97Å; M52-W128 HydrophobicContact CE-CD2 4.41Å; M52-W128 HydrophobicContact CE-CZ2 4.24Å; M52-W128 HydrophobicContact CG-CB 4.2Å; M52-W128 HydrophobicContact CG-CD2 4.33Å; M52-W128 HydrophobicContact CG-CG 3.96Å; M52-W128 HydrophobicContact SD-CD2 4.47Å; M52-W128 HydrophobicContact SD-CG 4.33Å; M52-W131 HydrophobicContact CB-CB 4.11Å; M52-W131 HydrophobicContact CB-CG 4.31Å; M52-W131 HydrophobicContact CG-CB 4.09Å
53A98.8Very high98.3Very high0 Ų028.2 Ų28.20%016%0.162CC..Hα-helixtrans-60.6-31.7-177.500000113.4L29 W49 L50 S57 G58 F59 I76 F77L29-A53 HydrophobicContact CD2-CB 4.22Å; W49-A53 VanDerWaalsContact O-CB 3.31Å; W49-A53 WeakPolarHBondContact O-CB 3.38Å; W49-A53 PolarHBondContact O-N 3Å; L50-A53 PolarHBondContact O-N 2.93Å; A53-S57 PolarHBondContact O-N 2.96Å; A53-S57 VanDerWaalsContact O-N 3.09Å; A53-S57 PolarHBondContact O-OG 3Å; A53-G58 PolarHBondContact O-N 3.41Å; A53-F59 HydrophobicContact CB-CD1 3.84Å; A53-F59 HydrophobicContact CB-CE1 3.93Å; A53-F59 PolarHBondContact O-N 2.81Å; A53-I76 HydrophobicContact CB-CG1 4.23Å; A53-F77 HydrophobicContact CB-CD1 4.03Å; A53-F77 HydrophobicContact CB-CE1 3.9Å
54H98.7Very high98.4Very high77 Ų7727.9 Ų27.936%0.35615%0.147SC..Hα-helixtrans-66.1-49.9176.4177.875.1000111.8L50 C51 M52 G58 F59 W143L50-H54 WeakPolarHBondContact O-CB 3.37Å; L50-H54 PolarHBondContact O-N 2.82Å; C51-H54 PolarHBondContact O-N 2.94Å; M52-H54 PolarHBondContact O-N 2.85Å; M52-H54 VanDerWaalsContact O-N 3.17Å; H54-G58 VanDerWaalsContact O-CA 3.22Å; H54-G58 WeakPolarHBondContact O-CA 3.37Å; H54-G58 PolarHBondContact O-N 3.46Å; H54-F59 HydrophobicContact CB-CD1 4.42Å; H54-F59 HydrophobicContact CB-CE1 3.69Å; H54-F59 HydrophobicContact CB-CE2 4.46Å; H54-F59 HydrophobicContact CB-CZ 3.72Å; H54-W143 HydrophobicContact CB-CH2 3.45Å; H54-W143 VanDerWaalsContact CB-CH2 3.45Å; H54-W143 HydrophobicContact CB-CZ2 4.38Å; H54-W143 HydrophobicContact CB-CZ3 3.65Å; H54-W143 AromaticContact CD2-CH2 3.5Å; H54-W143 AromaticContact CG-CH2 3.37Å; H54-W143 AromaticContact CG-CZ3 3.8Å
55Y98.6Very high98.4Very high105 Ų10529.5 Ų29.541%0.41216%0.158SC..Hα-helixtrans-76.4-25.7-177.4-75.3-79.8000112.9C51 M52 T130 H134 W143C51-Y55 WeakPolarHBondContact O-CD2 3.34Å; C51-Y55 PolarHBondContact O-N 3.09Å; C51-Y55 VanDerWaalsContact O-N 3.17Å; M52-Y55 PolarHBondContact O-N 2.91Å; M52-Y55 VanDerWaalsContact O-N 3.16Å; Y55-T130 HydrophobicContact CG-CG2 4.33Å; Y55-H134 HydrophobicContact CD1-CB 4.07Å; Y55-H134 AromaticContact CD1-CD2 3.92Å; Y55-H134 AromaticContact CD1-CG 3.72Å; Y55-H134 AromaticContact CD1-ND1 3.94Å; Y55-H134 HydrophobicContact CD2-CB 3.57Å; Y55-H134 HydrophobicContact CE1-CB 3.98Å; Y55-H134 AromaticContact CE1-CG 3.67Å; Y55-H134 AromaticContact CE1-ND1 3.5Å; Y55-H134 WeakPolarHBondContact CE1-ND1 3.44Å; Y55-H134 HydrophobicContact CE2-CB 3.48Å; Y55-H134 VanDerWaalsContact CE2-CB 3.48Å; Y55-H134 HydrophobicContact CG-CB 3.87Å; Y55-H134 AromaticContact CG-CG 3.96Å; Y55-H134 AromaticContact CZ-CG 3.87Å; Y55-H134 AromaticContact CZ-ND1 3.81Å; Y55-W143 HydrophobicContact CE2-CZ2 4.29Å
56E98.4Very high98.4Very high28 Ų2833.6 Ų33.613%0.13117%0.172CC..Hα-helixtrans-74.2-43.9175.6-71.7-60.1163.500112.8M52 F63 Q78 T130M52-E56 HydrophobicContact CG-CG 3.98Å; M52-E56 WeakPolarHBondContact O-CB 3.26Å; M52-E56 VanDerWaalsContact O-CG 3.27Å; M52-E56 WeakPolarHBondContact O-CG 3.44Å; M52-E56 PolarHBondContact O-N 3.02Å; M52-E56 HydrophobicContact SD-CB 4.44Å; M52-E56 HydrophobicContact SD-CG 3.75Å; E56-F63 WeakPolarHBondContact O-CD1 3.29Å; E56-F63 WeakPolarHBondContact O-CE1 3.42Å; E56-Q78 HydrophobicContact CB-CB 4.18Å; E56-Q78 HydrophobicContact CB-CG 3.77Å; E56-Q78 HydrophobicContact CG-CB 4.44Å; E56-Q78 VanDerWaalsContact O-CG 3.28Å; E56-Q78 WeakPolarHBondContact O-CG 3.23Å; E56-Q78 WeakPolarHBondContact OE2-CB 3.34Å; E56-Q78 WeakPolarHBondContact OE2-CG 3.27Å; E56-T130 WeakPolarHBondContact OE1-CB 3.36Å; E56-T130 PolarHBondContact OE1-OG1 2.83Å
57S98.7Very high98.4Very high9 Ų935.7 Ų35.76%0.06318%0.183CC..Hα-helixtrans-140.8-2-169.365.40000115.3A53 F59 D60 I76A53-S57 PolarHBondContact O-N 2.96Å; A53-S57 VanDerWaalsContact O-N 3.09Å; A53-S57 PolarHBondContact O-OG 3Å; S57-F59 PolarHBondContact O-N 3.48Å; S57-F59 PolarHBondContact OG-N 3.13Å; S57-D60 WeakPolarHBondContact O-CB 3.41Å; S57-D60 PolarHBondContact O-N 2.76Å; S57-D60 VanDerWaalsContact O-N 3.12Å; S57-I76 WeakPolarHBondContact OG-CA 3.28Å; S57-I76 PolarHBondContact OG-O 3.48Å
58G98.6Very high98.3Very high37 Ų3743.2 Ų43.238%0.38123%0.229SC..THydrogen-bonded Turntrans61.724.9-170.100000113.3A53 H54 D60A53-G58 PolarHBondContact O-N 3.41Å; H54-G58 VanDerWaalsContact O-CA 3.22Å; H54-G58 WeakPolarHBondContact O-CA 3.37Å; H54-G58 PolarHBondContact O-N 3.46Å; G58-D60 VanDerWaalsContact C-N 3.28Å; G58-D60 PolarHBondContact O-N 3.4Å
59F98.8Very high98.1Very high16 Ų1647.8 Ų47.87%0.0725%0.253CS..THydrogen-bonded Turntrans69.214-172.8-47.7-42.6000116.1I23 Y24 R26 L29 L50 A53 H54 S57 W143I23-F59 WeakPolarHBondContact CA-O 3.31Å; Y24-F59 PolarHBondContact N-O 3.41Å; Y24-F59 WeakPolarHBondContact O-CB 3.46Å; Y24-F59 WeakPolarHBondContact O-CD2 3.38Å; R26-F59 HydrophobicContact CB-CE2 4.06Å; R26-F59 HydrophobicContact CG-CE2 4.45Å; L29-F59 HydrophobicContact CD2-CB 4.33Å; L29-F59 HydrophobicContact CD2-CD1 3.31Å; L29-F59 HydrophobicContact CD2-CE1 3.64Å; L29-F59 HydrophobicContact CD2-CG 3.92Å; L29-F59 HydrophobicContact CD2-CZ 4.49Å; L50-F59 HydrophobicContact CD2-CE1 4.27Å; L50-F59 HydrophobicContact CD2-CZ 4.32Å; L50-F59 VanDerWaalsContact O-CE1 3.23Å; L50-F59 WeakPolarHBondContact O-CE1 3.06Å; A53-F59 HydrophobicContact CB-CD1 3.84Å; A53-F59 HydrophobicContact CB-CE1 3.93Å; A53-F59 PolarHBondContact O-N 2.81Å; H54-F59 HydrophobicContact CB-CD1 4.42Å; H54-F59 HydrophobicContact CB-CE1 3.69Å; H54-F59 HydrophobicContact CB-CE2 4.46Å; H54-F59 HydrophobicContact CB-CZ 3.72Å; S57-F59 PolarHBondContact O-N 3.48Å; S57-F59 PolarHBondContact OG-N 3.13Å; F59-W143 HydrophobicContact CZ-CE3 4.32Å; F59-W143 AromaticContact CZ-CZ3 3.88Å; F59-W143 HydrophobicContact CZ-CZ3 3.88Å
60D98.7Very high98Very high33 Ų3349.9 Ų49.918%0.17627%0.274CS..BIsolated β-bridgetrans-84.7114.1176.8-175.2-2.3000111.1I23 S57 G58 S62 F63I23-D60 HydrophobicContact CG1-CB 3.94Å; S57-D60 WeakPolarHBondContact O-CB 3.41Å; S57-D60 PolarHBondContact O-N 2.76Å; S57-D60 VanDerWaalsContact O-N 3.12Å; G58-D60 VanDerWaalsContact C-N 3.28Å; G58-D60 PolarHBondContact O-N 3.4Å; D60-S62 VanDerWaalsContact CG-OG 3.26Å; D60-S62 PolarHBondContact O-N 3.34Å; D60-S62 WeakPolarHBondContact OD1-CA 3.28Å; D60-S62 WeakPolarHBondContact OD1-CB 3.41Å; D60-S62 PolarHBondContact OD1-N 2.85Å; D60-S62 PolarHBondContact OD1-OG 3.23Å; D60-S62 PolarHBondContact OD2-OG 2.9Å; D60-S62 VanDerWaalsContact OD2-OG 3.1Å; D60-F63 HydrophobicContact CB-CB 4.22Å; D60-F63 WeakPolarHBondContact O-CB 2.83Å; D60-F63 PolarHBondContact O-N 3.18Å
61T98.5Very high98Very high0 Ų049.9 Ų49.90%028%0.275CS..THydrogen-bonded Turntrans-68.7-18.5176.370.10000112.7K22 Y24 F63 G75 I76 R104 N105 I108K22-T61 PolarHBondContact N-OG1 2.9Å; K22-T61 WeakPolarHBondContact O-CG2 3.37Å; K22-T61 PolarHBondContact O-N 3.27Å; K22-T61 PolarHBondContact O-OG1 3.04Å; Y24-T61 HydrophobicContact CD2-CG2 3.9Å; Y24-T61 HydrophobicContact CE2-CG2 3.74Å; T61-F63 VanDerWaalsContact C-N 3.33Å; T61-G75 WeakPolarHBondContact O-CA 3.14Å; T61-I76 HydrophobicContact CG2-CB 4.36Å; T61-I76 HydrophobicContact CG2-CD1 4.36Å; T61-R104 VanDerWaalsContact O-CA 3.28Å; T61-R104 WeakPolarHBondContact O-CA 3.37Å; T61-N105 WeakPolarHBondContact CB-O 3.36Å; T61-N105 PolarHBondContact OG1-O 3.09Å; T61-I108 HydrophobicContact CG2-CG2 3.52Å
62S97.6Very high98Very high29 Ų2950.2 Ų50.220%0.20328%0.277CS..THydrogen-bonded Turntrans-85.1-7.8178.5780000113.8D60 L64 R104D60-S62 VanDerWaalsContact CG-OG 3.26Å; D60-S62 PolarHBondContact O-N 3.34Å; D60-S62 WeakPolarHBondContact OD1-CA 3.28Å; D60-S62 WeakPolarHBondContact OD1-CB 3.41Å; D60-S62 PolarHBondContact OD1-N 2.85Å; D60-S62 PolarHBondContact OD1-OG 3.23Å; D60-S62 PolarHBondContact OD2-OG 2.9Å; D60-S62 VanDerWaalsContact OD2-OG 3.1Å; S62-L64 PolarHBondContact O-N 3.15Å; S62-R104 PolarHBondContact O-NE 2.78Å; S62-R104 PolarHBondContact O-NH2 2.92Å
63F98.2Very high97.9Very high83 Ų8352 Ų5236%0.36429%0.285SS..  trans-58.7131.5-171.7-161.5-113.8000111.2E56 D60 T61 G75 Q78E56-F63 WeakPolarHBondContact O-CD1 3.29Å; E56-F63 WeakPolarHBondContact O-CE1 3.42Å; D60-F63 HydrophobicContact CB-CB 4.22Å; D60-F63 WeakPolarHBondContact O-CB 2.83Å; D60-F63 PolarHBondContact O-N 3.18Å; T61-F63 VanDerWaalsContact C-N 3.33Å; F63-G75 PolarHBondContact O-N 2.75Å; F63-Q78 VanDerWaalsContact CD1-CD 3.41Å; F63-Q78 HydrophobicContact CD1-CG 4.23Å; F63-Q78 VanDerWaalsContact CD1-NE2 3.35Å; F63-Q78 PolarHBondContact O-NE2 2.7Å
64L97.9Very high97.9Very high49 Ų4952.3 Ų52.326%0.25729%0.286SS..EExtended strand (participates in β ladder)trans-139122.7-176.9174.462.7000107.8S62 E73 Y74S62-L64 PolarHBondContact O-N 3.15Å; L64-E73 WeakPolarHBondContact CA-O 3.4Å; L64-E73 WeakPolarHBondContact CD1-O 3.42Å; L64-Y74 HydrophobicContact CD1-CD1 3.88Å; L64-Y74 HydrophobicContact CD1-CD2 4.35Å; L64-Y74 HydrophobicContact CD1-CE1 3.65Å; L64-Y74 HydrophobicContact CD1-CE2 4.15Å; L64-Y74 HydrophobicContact CD1-CG 4.21Å
65N97.8Very high97.9Very high77 Ų7748.7 Ų48.741%0.41227%0.27SS..EExtended strand (participates in β ladder)trans-117.3145.2173.2-172.434.6000110.3S72 E73N65-S72 CarbonylContact O-C 3.56Å; N65-S72 WeakPolarHBondContact O-CA 3.43Å; N65-S72 VanDerWaalsContact O-CB 3.26Å; N65-S72 WeakPolarHBondContact O-CB 3.32Å; N65-E73 HydrophobicContact CB-CB 4.17Å; N65-E73 HydrophobicContact CB-CG 4.48Å; N65-E73 PolarHBondContact N-O 2.93Å; N65-E73 VanDerWaalsContact N-O 3.1Å; N65-E73 PolarHBondContact O-N 3.24Å
66H97.9Very high97.9Very high131 Ų13143.7 Ų43.761%0.60625%0.25SC*.EExtended strand (participates in β ladder)trans-110.6126.7-179.6-64.6-62.8000109.9S72H66-S72 PolarHBondContact ND1-OG 2.82Å
67N97.4Very high98Very high47 Ų4742.3 Ų42.325%0.25124%0.244SC..  trans-90.7154.8179-65.3-34000110.9D69 G70 S71 E73 N80N67-D69 WeakPolarHBondContact CB-OD1 3.28Å; N67-D69 PolarHBondContact O-N 3.01Å; N67-G70 PolarHBondContact O-N 3.39Å; N67-G70 VanDerWaalsContact O-N 3.09Å; N67-S71 WeakPolarHBondContact CB-O 3.46Å; N67-S71 WeakPolarHBondContact CB-OG 3.48Å; N67-S71 PolarHBondContact N-O 2.81Å; N67-S71 PolarHBondContact ND2-OG 3.3Å; N67-E73 PolarHBondContact ND2-OE1 3.28Å; N67-N80 PolarHBondContact ND2-ND2 2.86Å; N67-N80 VanDerWaalsContact ND2-ND2 3.13Å
68V96.3Very high98Very high160 Ų16042.5 Ų42.597%0.9724%0.243SC*.THydrogen-bonded Turntrans-64.4-27.2-1791790000112.1G70V68-G70 PolarHBondContact O-N 3.06Å
69D94.9Very high98Very high121 Ų12140.8 Ų40.865%0.64723%0.225SC*.THydrogen-bonded Turntrans-77-0.2177.469-5.1000113.8N67 S71N67-D69 WeakPolarHBondContact CB-OD1 3.28Å; N67-D69 PolarHBondContact O-N 3.01Å; D69-S71 VanDerWaalsContact C-N 3.32Å; D69-S71 VanDerWaalsContact OD1-CB 3.31Å; D69-S71 WeakPolarHBondContact OD1-CB 3.24Å; D69-S71 PolarHBondContact OD1-N 3.43Å; D69-S71 PolarHBondContact OD1-OG 2.91Å; D69-S71 PolarHBondContact OD2-OG 2.89Å
70G95.9Very high97.9Very high44 Ų4440.8 Ų40.845%0.45423%0.226SC..SBendtrans84.7-0.6-178.500000114.5N67 V68 T90N67-G70 PolarHBondContact O-N 3.39Å; N67-G70 VanDerWaalsContact O-N 3.09Å; V68-G70 PolarHBondContact O-N 3.06Å; G70-T90 PolarHBondContact O-OG1 3.1Å
71S98.3Very high97.9Very high1 Ų139.2 Ų39.21%0.00722%0.218CC..  trans-75168.4164.771.90000110.9N67 D69 N80 S81N67-S71 WeakPolarHBondContact CB-O 3.46Å; N67-S71 WeakPolarHBondContact CB-OG 3.48Å; N67-S71 PolarHBondContact N-O 2.81Å; N67-S71 PolarHBondContact ND2-OG 3.3Å; D69-S71 VanDerWaalsContact C-N 3.32Å; D69-S71 VanDerWaalsContact OD1-CB 3.31Å; D69-S71 WeakPolarHBondContact OD1-CB 3.24Å; D69-S71 PolarHBondContact OD1-N 3.43Å; D69-S71 PolarHBondContact OD1-OG 2.91Å; D69-S71 PolarHBondContact OD2-OG 2.89Å; S71-N80 PolarHBondContact OG-ND2 3.11Å; S71-S81 WeakPolarHBondContact CA-OG 3.35Å
72S98.6Very high97.9Very high8 Ų840.1 Ų40.16%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-143.3150.3175.9-60.70000110.4N65 H66 Y74 N80 S81N65-S72 CarbonylContact O-C 3.56Å; N65-S72 WeakPolarHBondContact O-CA 3.43Å; N65-S72 VanDerWaalsContact O-CB 3.26Å; N65-S72 WeakPolarHBondContact O-CB 3.32Å; H66-S72 PolarHBondContact ND1-OG 2.82Å; S72-Y74 VanDerWaalsContact CB-CE2 3.49Å; S72-Y74 VanDerWaalsContact O-CD2 3.3Å; S72-Y74 WeakPolarHBondContact O-CD2 3.26Å; S72-Y74 WeakPolarHBondContact O-CE2 3.18Å; S72-N80 CarbonylContact O-C 3.57Å; S72-N80 WeakPolarHBondContact O-CA 3.02Å; S72-S81 PolarHBondContact N-OG 3.14Å; S72-S81 PolarHBondContact O-N 3.5Å; S72-S81 PolarHBondContact O-OG 2.8Å
73E98.5Very high98Very high36 Ų3645.2 Ų45.217%0.16824%0.24CC..EExtended strand (participates in β ladder)trans-101.2128.1179.4-55.8-59.1160.700110.2L64 N65 N67 Q78 N80L64-E73 WeakPolarHBondContact CA-O 3.4Å; L64-E73 WeakPolarHBondContact CD1-O 3.42Å; N65-E73 HydrophobicContact CB-CB 4.17Å; N65-E73 HydrophobicContact CB-CG 4.48Å; N65-E73 PolarHBondContact N-O 2.93Å; N65-E73 VanDerWaalsContact N-O 3.1Å; N65-E73 PolarHBondContact O-N 3.24Å; N67-E73 PolarHBondContact ND2-OE1 3.28Å; E73-Q78 HydrophobicContact CB-CB 3.92Å; E73-Q78 HydrophobicContact CB-CG 4.32Å; E73-N80 PolarHBondContact OE1-ND2 3.34Å; E73-N80 WeakPolarHBondContact OE2-CA 3.27Å; E73-N80 WeakPolarHBondContact OE2-CB 3.12Å; E73-N80 PolarHBondContact OE2-N 3.2Å
74Y98.7Very high98Very high8 Ų842.4 Ų42.43%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-116.4136-171.1-68.8-102.7000113L64 S72 Q78 L79 N87 C100 R104L64-Y74 HydrophobicContact CD1-CD1 3.88Å; L64-Y74 HydrophobicContact CD1-CD2 4.35Å; L64-Y74 HydrophobicContact CD1-CE1 3.65Å; L64-Y74 HydrophobicContact CD1-CE2 4.15Å; L64-Y74 HydrophobicContact CD1-CG 4.21Å; S72-Y74 VanDerWaalsContact CB-CE2 3.49Å; S72-Y74 VanDerWaalsContact O-CD2 3.3Å; S72-Y74 WeakPolarHBondContact O-CD2 3.26Å; S72-Y74 WeakPolarHBondContact O-CE2 3.18Å; Y74-Q78 WeakPolarHBondContact O-CA 3.43Å; Y74-Q78 PolarHBondContact O-N 3.32Å; Y74-L79 PolarHBondContact N-O 2.99Å; Y74-L79 PolarHBondContact O-N 3.1Å; Y74-N87 PolarHBondContact OH-ND2 3.27Å; Y74-C100 HydrophobicContact CD1-CB 3.63Å; Y74-C100 VanDerWaalsContact CD1-O 3.24Å; Y74-C100 WeakPolarHBondContact CD1-O 3.44Å; Y74-C100 HydrophobicContact CD2-CB 3.78Å; Y74-C100 HydrophobicContact CE1-CB 3.61Å; Y74-C100 HydrophobicContact CE2-CB 3.75Å; Y74-C100 HydrophobicContact CG-CB 3.74Å; Y74-R104 HydrophobicContact CD1-CG 4.06Å
75G98.4Very high98Very high0 Ų040.1 Ų40.10%022%0.215CC..THydrogen-bonded Turntrans75.5-166161.800000114.3T61 F63 F77 Q78 L103T61-G75 WeakPolarHBondContact O-CA 3.14Å; F63-G75 PolarHBondContact O-N 2.75Å; G75-F77 PolarHBondContact O-N 3.38Å; G75-F77 VanDerWaalsContact O-N 3.14Å; G75-Q78 PolarHBondContact O-N 3.35Å; G75-Q78 VanDerWaalsContact O-N 3.11Å; G75-Q78 PolarHBondContact O-NE2 3.09Å; G75-L103 VanDerWaalsContact CA-O 3.32Å; G75-L103 WeakPolarHBondContact CA-O 3.38Å
76I98.8Very high98.1Very high0 Ų040.2 Ų40.20%021%0.213CC..THydrogen-bonded Turntrans-64.8-23.8-168-165.5167.5000113.6Y24 L29 A53 S57 T61 I108 D111Y24-I76 HydrophobicContact CD2-CD1 4.05Å; L29-I76 HydrophobicContact CD1-CD1 3.82Å; L29-I76 HydrophobicContact CD2-CD1 3.86Å; A53-I76 HydrophobicContact CB-CG1 4.23Å; S57-I76 WeakPolarHBondContact OG-CA 3.28Å; S57-I76 PolarHBondContact OG-O 3.48Å; T61-I76 HydrophobicContact CG2-CB 4.36Å; T61-I76 HydrophobicContact CG2-CD1 4.36Å; I76-I108 HydrophobicContact CD1-CG2 4.39Å; I76-I108 HydrophobicContact CG2-CB 4.39Å; I76-I108 HydrophobicContact CG2-CG2 3.92Å; I76-D111 HydrophobicContact CG2-CB 4.16Å
77F98.7Very high98Very high0 Ų034.5 Ų34.50%019%0.187CC..THydrogen-bonded Turntrans-112.811.1179.3-55.3-42.3000113.4L33 M52 A53 G75 L79 D111 I112 A115 W128L33-F77 HydrophobicContact CD2-CZ 3.85Å; M52-F77 HydrophobicContact CE-CB 4.15Å; M52-F77 HydrophobicContact CE-CD1 3.4Å; M52-F77 VanDerWaalsContact CE-CD1 3.4Å; M52-F77 HydrophobicContact CE-CE1 3.95Å; M52-F77 HydrophobicContact CE-CG 3.89Å; M52-F77 HydrophobicContact SD-CB 4.19Å; M52-F77 HydrophobicContact SD-CD1 3.73Å; M52-F77 HydrophobicContact SD-CG 4.33Å; A53-F77 HydrophobicContact CB-CD1 4.03Å; A53-F77 HydrophobicContact CB-CE1 3.9Å; G75-F77 PolarHBondContact O-N 3.38Å; G75-F77 VanDerWaalsContact O-N 3.14Å; F77-L79 HydrophobicContact CB-CD2 4.18Å; F77-L79 HydrophobicContact CB-CG 4.32Å; F77-L79 PolarHBondContact O-N 3.27Å; F77-D111 HydrophobicContact CD2-CB 3.71Å; F77-D111 HydrophobicContact CE2-CB 3.81Å; F77-I112 HydrophobicContact CE2-CG1 3.85Å; F77-I112 HydrophobicContact CZ-CG1 4.1Å; F77-A115 HydrophobicContact CD2-CB 3.78Å; F77-A115 HydrophobicContact CE2-CB 4.16Å; F77-A115 HydrophobicContact CG-CB 4.45Å; F77-W128 PolarHBondContact O-NE1 2.97Å
78Q98.7Very high98.1Very high12 Ų1235.5 Ų35.56%0.05621%0.208CC..THydrogen-bonded Turntrans47.866.9177.7-68.9-62.4-90.400112.6E56 F63 E73 Y74 G75E56-Q78 HydrophobicContact CB-CB 4.18Å; E56-Q78 HydrophobicContact CB-CG 3.77Å; E56-Q78 HydrophobicContact CG-CB 4.44Å; E56-Q78 VanDerWaalsContact O-CG 3.28Å; E56-Q78 WeakPolarHBondContact O-CG 3.23Å; E56-Q78 WeakPolarHBondContact OE2-CB 3.34Å; E56-Q78 WeakPolarHBondContact OE2-CG 3.27Å; F63-Q78 VanDerWaalsContact CD1-CD 3.41Å; F63-Q78 HydrophobicContact CD1-CG 4.23Å; F63-Q78 VanDerWaalsContact CD1-NE2 3.35Å; F63-Q78 PolarHBondContact O-NE2 2.7Å; E73-Q78 HydrophobicContact CB-CB 3.92Å; E73-Q78 HydrophobicContact CB-CG 4.32Å; Y74-Q78 WeakPolarHBondContact O-CA 3.43Å; Y74-Q78 PolarHBondContact O-N 3.32Å; G75-Q78 PolarHBondContact O-N 3.35Å; G75-Q78 VanDerWaalsContact O-N 3.11Å; G75-Q78 PolarHBondContact O-NE2 3.09Å
79L98.6Very high98.1Very high1 Ų133.9 Ų33.91%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-90.1117.1-178.6-55.9174.4000110.3Y74 F77 W84 L103 C114 I118 W128Y74-L79 PolarHBondContact N-O 2.99Å; Y74-L79 PolarHBondContact O-N 3.1Å; F77-L79 HydrophobicContact CB-CD2 4.18Å; F77-L79 HydrophobicContact CB-CG 4.32Å; F77-L79 PolarHBondContact O-N 3.27Å; L79-W84 HydrophobicContact CB-CB 4.35Å; L79-L103 HydrophobicContact CB-CD1 3.8Å; L79-L103 HydrophobicContact CD1-CD1 3.68Å; L79-L103 HydrophobicContact CD1-CD2 3.63Å; L79-L103 HydrophobicContact CD1-CG 4.27Å; L79-L103 HydrophobicContact CG-CD1 4.27Å; L79-C114 HydrophobicContact CD1-CB 3.85Å; L79-I118 HydrophobicContact CD2-CD1 3.43Å; L79-I118 VanDerWaalsContact CD2-CD1 3.43Å; L79-W128 HydrophobicContact CD2-CZ2 4.18Å
80N98.4Very high98.1Very high17 Ų1728.8 Ų28.89%0.09117%0.166CC..EExtended strand (participates in β ladder)trans-68132.8-175-171.8-81.7000114.3N67 S71 S72 E73 A82 W83 W84N67-N80 PolarHBondContact ND2-ND2 2.86Å; N67-N80 VanDerWaalsContact ND2-ND2 3.13Å; S71-N80 PolarHBondContact OG-ND2 3.11Å; S72-N80 CarbonylContact O-C 3.57Å; S72-N80 WeakPolarHBondContact O-CA 3.02Å; E73-N80 PolarHBondContact OE1-ND2 3.34Å; E73-N80 WeakPolarHBondContact OE2-CA 3.27Å; E73-N80 WeakPolarHBondContact OE2-CB 3.12Å; E73-N80 PolarHBondContact OE2-N 3.2Å; N80-A82 PolarHBondContact O-N 2.93Å; N80-A82 WeakPolarHBondContact OD1-CA 3.17Å; N80-A82 WeakPolarHBondContact OD1-CB 3.48Å; N80-A82 PolarHBondContact OD1-N 3.14Å; N80-W83 PolarHBondContact O-N 2.84Å; N80-W84 PolarHBondContact O-N 2.89Å
81S98.6Very high98.2Very high0 Ų032.4 Ų32.40%018%0.181CC..THydrogen-bonded Turntrans-70-19.2179.359.70000115.7S71 S72 W83 T90 T92S71-S81 WeakPolarHBondContact CA-OG 3.35Å; S72-S81 PolarHBondContact N-OG 3.14Å; S72-S81 PolarHBondContact O-N 3.5Å; S72-S81 PolarHBondContact O-OG 2.8Å; S81-W83 VanDerWaalsContact C-N 3.28Å; S81-T90 PolarHBondContact OG-OG1 3.31Å; S81-T92 WeakPolarHBondContact O-CB 3.49Å; S81-T92 PolarHBondContact O-OG1 3.16Å
82A98.3Very high98.2Very high18 Ų1834 Ų3415%0.14919%0.191CC..THydrogen-bonded Turntrans-75-20.3175.600000112.5N80 T90 T92 H93N80-A82 PolarHBondContact O-N 2.93Å; N80-A82 WeakPolarHBondContact OD1-CA 3.17Å; N80-A82 WeakPolarHBondContact OD1-CB 3.48Å; N80-A82 PolarHBondContact OD1-N 3.14Å; A82-T90 HydrophobicContact CB-CG2 4.07Å; A82-T92 WeakPolarHBondContact O-CA 3.24Å; A82-T92 PolarHBondContact O-OG1 3.35Å; A82-H93 PolarHBondContact O-N 3.18Å; A82-H93 VanDerWaalsContact O-N 3.14Å
83W98.3Very high98.2Very high136 Ų13639.4 Ų39.452%0.51522%0.215SC..THydrogen-bonded Turntrans-120.8-46.6-172.5-63.9100000113.7N80 S81 H93 N94 L95N80-W83 PolarHBondContact O-N 2.84Å; S81-W83 VanDerWaalsContact C-N 3.28Å; W83-H93 AromaticContact CE3-CD2 3.32Å; W83-H93 AromaticContact CE3-NE2 3.99Å; W83-H93 AromaticContact CH2-NE2 3.94Å; W83-H93 AromaticContact CZ3-CD2 3.28Å; W83-H93 WeakPolarHBondContact CZ3-CD2 3.46Å; W83-H93 AromaticContact CZ3-NE2 3.43Å; W83-H93 WeakPolarHBondContact CZ3-NE2 3.17Å; W83-N94 PolarHBondContact O-N 3.43Å; W83-L95 WeakPolarHBondContact O-CB 3.42Å; W83-L95 WeakPolarHBondContact O-CG 3.17Å; W83-L95 PolarHBondContact O-N 3.35Å
84W98.6Very high98.2Very high25 Ų2539.1 Ų39.110%0.09522%0.215CC..THydrogen-bonded Turntrans-103.2-35.5-159.5-57.9114.6000113.7L79 N80 N94 L95 C96 I118 L121 H122L79-W84 HydrophobicContact CB-CB 4.35Å; N80-W84 PolarHBondContact O-N 2.89Å; W84-N94 PolarHBondContact O-OD1 3.32Å; W84-L95 HydrophobicContact CE3-CB 3.81Å; W84-L95 HydrophobicContact CE3-CD1 4.07Å; W84-L95 HydrophobicContact CH2-CD1 4.04Å; W84-L95 HydrophobicContact CZ3-CB 3.9Å; W84-L95 HydrophobicContact CZ3-CD1 3.57Å; W84-L95 HydrophobicContact CZ3-CG 4.39Å; W84-C96 WeakPolarHBondContact O-CB 3.43Å; W84-C96 PolarHBondContact O-N 2.94Å; W84-I118 HydrophobicContact CD2-CD1 3.64Å; W84-I118 HydrophobicContact CD2-CG1 3.68Å; W84-I118 HydrophobicContact CE3-CD1 4.13Å; W84-I118 HydrophobicContact CE3-CG1 3.68Å; W84-I118 HydrophobicContact CG-CD1 3.97Å; W84-I118 HydrophobicContact CG-CG1 4.49Å; W84-I118 HydrophobicContact CH2-CB 4.27Å; W84-I118 HydrophobicContact CH2-CD1 4.49Å; W84-I118 HydrophobicContact CH2-CG1 3.65Å; W84-I118 HydrophobicContact CH2-CG2 4.35Å; W84-I118 HydrophobicContact CZ2-CB 4.3Å; W84-I118 HydrophobicContact CZ2-CD1 4.01Å; W84-I118 HydrophobicContact CZ2-CG1 3.62Å; W84-I118 HydrophobicContact CZ2-CG2 4.04Å; W84-I118 HydrophobicContact CZ3-CG1 3.67Å; W84-L121 HydrophobicContact CH2-CD1 4.04Å; W84-L121 HydrophobicContact CZ3-CD1 3.86Å; W84-H122 AromaticContact CH2-NE2 3.76Å; W84-H122 AromaticContact CZ2-NE2 3.64Å
85C98.7Very high98.2Very high0 Ų041.3 Ų41.30%023%0.227CC..  trans-137.7165-175.463.60000111.9T92 N94 I98 C100 L103C85-T92 PolarHBondContact O-OG1 3.06Å; C85-N94 WeakPolarHBondContact CA-OD1 3.17Å; C85-I98 HydrophobicContact CB-CD1 4.41Å; C85-I98 HydrophobicContact CB-CG1 3.9Å; C85-C100 HydrophobicContact CB-CB 3.91Å; C85-C100 WeakPolarHBondContact CB-SG 3.4Å; C85-C100 PolarHBondContact O-SG 3.47Å; C85-C100 WeakPolarHBondContact SG-CA 3.49Å; C85-C100 WeakPolarHBondContact SG-CB 3.49Å; C85-C100 CovalentContact SG-SG 2.04Å; C85-C100 PolarHBondContact SG-SG 3.43Å; C85-L103 HydrophobicContact CB-CD1 4.05Å
86E98.5Very high98.2Very high80 Ų8042.3 Ų42.337%0.37423%0.234SC..BIsolated β-bridgetrans-105.2130177.7177.372.5-106.900111.4G88 T92 N94 I98 S99 C100E86-G88 PolarHBondContact OE1-N 2.91Å; E86-T92 HydrophobicContact CB-CG2 4.12Å; E86-T92 VanDerWaalsContact CD-CG2 3.45Å; E86-T92 HydrophobicContact CG-CG2 4.41Å; E86-T92 WeakPolarHBondContact OE2-CG2 3.48Å; E86-N94 HydrophobicContact CB-CB 4.36Å; E86-N94 WeakPolarHBondContact CB-ND2 3.27Å; E86-I98 PolarHBondContact N-O 3.12Å; E86-S99 CarbonylContact O-C 3.48Å; E86-S99 WeakPolarHBondContact O-CA 3.34Å; E86-C100 VanDerWaalsContact C-SG 3.5Å; E86-C100 PolarHBondContact N-SG 2.65Å; E86-C100 PolarHBondContact O-N 3.23Å
87N97.8Very high98.1Very high11 Ų1149.5 Ų49.56%0.05927%0.267CS..  trans-119.5-3.2174.867.92.8000113.5Y74 I89 T90 C100 Y101Y74-N87 PolarHBondContact OH-ND2 3.27Å; N87-I89 PolarHBondContact O-N 2.72Å; N87-I89 WeakPolarHBondContact OD1-CA 3.35Å; N87-I89 WeakPolarHBondContact OD1-CB 3.3Å; N87-I89 PolarHBondContact OD1-N 3.07Å; N87-T90 PolarHBondContact ND2-OG1 2.96Å; N87-T90 PolarHBondContact OD1-N 3.13Å; N87-C100 HydrophobicContact CB-CB 3.98Å; N87-Y101 HydrophobicContact CB-CE2 4.39Å; N87-Y101 PolarHBondContact O-OH 2.92Å
88G97.4Very high98.1Very high67 Ų6751 Ų5169%0.69128%0.275SS*.SBendtrans72.610.3-176.200000114.7E86E86-G88 PolarHBondContact OE1-N 2.91Å
89I96.4Very high98.1Very high127 Ų12752.2 Ų52.265%0.65129%0.285SS*.SBendtrans-119.2-53.9-178.3-57.8171.3000110N87N87-I89 PolarHBondContact O-N 2.72Å; N87-I89 WeakPolarHBondContact OD1-CA 3.35Å; N87-I89 WeakPolarHBondContact OD1-CB 3.3Å; N87-I89 PolarHBondContact OD1-N 3.07Å
90T96.9Very high98.1Very high13 Ų1352.2 Ų52.28%0.0828%0.284CS..SBendtrans-91.1128.8-178.6-41.70000109.4G70 S81 A82 N87 T92G70-T90 PolarHBondContact O-OG1 3.1Å; S81-T90 PolarHBondContact OG-OG1 3.31Å; A82-T90 HydrophobicContact CB-CG2 4.07Å; N87-T90 PolarHBondContact ND2-OG1 2.96Å; N87-T90 PolarHBondContact OD1-N 3.13Å; T90-T92 PolarHBondContact O-N 3.24Å
91P97.5Very high98Very high120 Ų12056.9 Ų56.978%0.77930%0.302SS*.  trans-55.4130.7167.6-23.734000110.4
92T98.1Very high98Very high35 Ų3560.5 Ų60.522%0.21532%0.321CS..  trans-137.9150.5-168.1-172.90000114S81 A82 C85 E86 T90 N94S81-T92 WeakPolarHBondContact O-CB 3.49Å; S81-T92 PolarHBondContact O-OG1 3.16Å; A82-T92 WeakPolarHBondContact O-CA 3.24Å; A82-T92 PolarHBondContact O-OG1 3.35Å; C85-T92 PolarHBondContact O-OG1 3.06Å; E86-T92 HydrophobicContact CB-CG2 4.12Å; E86-T92 VanDerWaalsContact CD-CG2 3.45Å; E86-T92 HydrophobicContact CG-CG2 4.41Å; E86-T92 WeakPolarHBondContact OE2-CG2 3.48Å; T90-T92 PolarHBondContact O-N 3.24Å; T92-N94 VanDerWaalsContact C-N 3.34Å; T92-N94 HydrophobicContact CG2-CB 3.91Å; T92-N94 PolarHBondContact OG1-N 2.91Å
93H97.8Very high98Very high122 Ų12259.7 Ų59.757%0.56531%0.314SS*.  trans-78.6-20164.9-68.8-76.8000113A82 W83 L95A82-H93 PolarHBondContact O-N 3.18Å; A82-H93 VanDerWaalsContact O-N 3.14Å; W83-H93 AromaticContact CE3-CD2 3.32Å; W83-H93 AromaticContact CE3-NE2 3.99Å; W83-H93 AromaticContact CH2-NE2 3.94Å; W83-H93 AromaticContact CZ3-CD2 3.28Å; W83-H93 WeakPolarHBondContact CZ3-CD2 3.46Å; W83-H93 AromaticContact CZ3-NE2 3.43Å; W83-H93 WeakPolarHBondContact CZ3-NE2 3.17Å; H93-L95 VanDerWaalsContact C-N 3.27Å; H93-L95 HydrophobicContact CB-CD2 4.19Å; H93-L95 HydrophobicContact CB-CG 3.94Å; H93-L95 PolarHBondContact O-N 2.86Å
94N98.3Very high97.9Very high30 Ų3056.5 Ų56.516%0.1630%0.302CS..  trans39.853.5-176.3-170.17.2000113W83 W84 C85 E86 T92 C96 H97 I98W83-N94 PolarHBondContact O-N 3.43Å; W84-N94 PolarHBondContact O-OD1 3.32Å; C85-N94 WeakPolarHBondContact CA-OD1 3.17Å; E86-N94 HydrophobicContact CB-CB 4.36Å; E86-N94 WeakPolarHBondContact CB-ND2 3.27Å; T92-N94 VanDerWaalsContact C-N 3.34Å; T92-N94 HydrophobicContact CG2-CB 3.91Å; T92-N94 PolarHBondContact OG1-N 2.91Å; N94-C96 PolarHBondContact O-N 3.43Å; N94-C96 VanDerWaalsContact O-N 3.16Å; N94-H97 PolarHBondContact O-N 3.05Å; N94-H97 PolarHBondContact O-ND1 3.07Å; N94-H97 VanDerWaalsContact OD1-CA 3.3Å; N94-H97 WeakPolarHBondContact OD1-CA 3.3Å; N94-H97 PolarHBondContact OD1-N 3.06Å; N94-I98 PolarHBondContact OD1-N 3.26Å; N94-I98 PolarHBondContact OD1-O 3.26Å
95L98.5Very high97.8Very high53 Ų5357.1 Ų57.128%0.27731%0.307SS..THydrogen-bonded Turntrans-63.3-23.7-173.9-67.4174.9000112.4W83 W84 H93 K117W83-L95 WeakPolarHBondContact O-CB 3.42Å; W83-L95 WeakPolarHBondContact O-CG 3.17Å; W83-L95 PolarHBondContact O-N 3.35Å; W84-L95 HydrophobicContact CE3-CB 3.81Å; W84-L95 HydrophobicContact CE3-CD1 4.07Å; W84-L95 HydrophobicContact CH2-CD1 4.04Å; W84-L95 HydrophobicContact CZ3-CB 3.9Å; W84-L95 HydrophobicContact CZ3-CD1 3.57Å; W84-L95 HydrophobicContact CZ3-CG 4.39Å; H93-L95 VanDerWaalsContact C-N 3.27Å; H93-L95 HydrophobicContact CB-CD2 4.19Å; H93-L95 HydrophobicContact CB-CG 3.94Å; H93-L95 PolarHBondContact O-N 2.86Å; L95-K117 VanDerWaalsContact O-CE 3.29Å; L95-K117 WeakPolarHBondContact O-CE 3.47Å; L95-K117 PolarHBondContact O-NZ 3.17Å
96C98.6Very high97.7Very high22 Ų2261.6 Ų61.615%0.14932%0.324CS..THydrogen-bonded Turntrans-88.4-6.2175.6-63.80000113.6W84 N94 I98 C114W84-C96 WeakPolarHBondContact O-CB 3.43Å; W84-C96 PolarHBondContact O-N 2.94Å; N94-C96 PolarHBondContact O-N 3.43Å; N94-C96 VanDerWaalsContact O-N 3.16Å; C96-I98 VanDerWaalsContact C-N 3.33Å; C96-I98 HydrophobicContact CB-CD1 3.88Å; C96-I98 HydrophobicContact CB-CG1 3.84Å; C96-I98 PolarHBondContact O-N 2.97Å; C96-C114 HydrophobicContact CB-CB 3.72Å; C96-C114 WeakPolarHBondContact CB-SG 3.43Å; C96-C114 WeakPolarHBondContact SG-CA 3.41Å; C96-C114 WeakPolarHBondContact SG-CB 3.47Å; C96-C114 CovalentContact SG-SG 2.03Å; C96-C114 PolarHBondContact SG-SG 3.25Å
97H98.3Very high97.6Very high150 Ų15063.2 Ų63.269%0.69433%0.331SS*.  trans55.145.4-179.3-53.8-61.4000112.8N94N94-H97 PolarHBondContact O-N 3.05Å; N94-H97 PolarHBondContact O-ND1 3.07Å; N94-H97 VanDerWaalsContact OD1-CA 3.3Å; N94-H97 WeakPolarHBondContact OD1-CA 3.3Å; N94-H97 PolarHBondContact OD1-N 3.06Å
98I98.2Very high97.6Very high32 Ų3262.7 Ų62.716%0.16433%0.329CS..SBendtrans-134.5159.7-17758.1177.6000111C85 E86 N94 C96 L103 C114C85-I98 HydrophobicContact CB-CD1 4.41Å; C85-I98 HydrophobicContact CB-CG1 3.9Å; E86-I98 PolarHBondContact N-O 3.12Å; N94-I98 PolarHBondContact OD1-N 3.26Å; N94-I98 PolarHBondContact OD1-O 3.26Å; C96-I98 VanDerWaalsContact C-N 3.33Å; C96-I98 HydrophobicContact CB-CD1 3.88Å; C96-I98 HydrophobicContact CB-CG1 3.84Å; C96-I98 PolarHBondContact O-N 2.97Å; I98-L103 HydrophobicContact CD1-CD1 4.19Å; I98-L103 HydrophobicContact CD1-CD2 3.56Å; I98-L103 HydrophobicContact CD1-CG 3.94Å; I98-C114 HydrophobicContact CD1-CB 4.36Å
99S98.3Very high97.6Very high38 Ų3867 Ų6727%0.26633%0.328SS..BIsolated β-bridgetrans-76.9136.6167170.70000109.5E86 Y101 D102E86-S99 CarbonylContact O-C 3.48Å; E86-S99 WeakPolarHBondContact O-CA 3.34Å; S99-Y101 PolarHBondContact O-N 2.85Å; S99-Y101 VanDerWaalsContact O-N 3.16Å; S99-Y101 WeakPolarHBondContact OG-CD2 3.46Å; S99-Y101 PolarHBondContact OG-N 2.96Å; S99-D102 WeakPolarHBondContact CB-OD2 3.37Å; S99-D102 WeakPolarHBondContact O-CB 3.25Å; S99-D102 PolarHBondContact O-N 3.24Å
100C98.4Very high97.7Very high0 Ų062.5 Ų62.50%031%0.306CS..THydrogen-bonded Turntrans-62.2-22.1173.9-62.20000112.3Y74 C85 E86 N87 D102 L103Y74-C100 HydrophobicContact CD1-CB 3.63Å; Y74-C100 VanDerWaalsContact CD1-O 3.24Å; Y74-C100 WeakPolarHBondContact CD1-O 3.44Å; Y74-C100 HydrophobicContact CD2-CB 3.78Å; Y74-C100 HydrophobicContact CE1-CB 3.61Å; Y74-C100 HydrophobicContact CE2-CB 3.75Å; Y74-C100 HydrophobicContact CG-CB 3.74Å; C85-C100 HydrophobicContact CB-CB 3.91Å; C85-C100 WeakPolarHBondContact CB-SG 3.4Å; C85-C100 PolarHBondContact O-SG 3.47Å; C85-C100 WeakPolarHBondContact SG-CA 3.49Å; C85-C100 WeakPolarHBondContact SG-CB 3.49Å; C85-C100 CovalentContact SG-SG 2.04Å; C85-C100 PolarHBondContact SG-SG 3.43Å; E86-C100 VanDerWaalsContact C-SG 3.5Å; E86-C100 PolarHBondContact N-SG 2.65Å; E86-C100 PolarHBondContact O-N 3.23Å; N87-C100 HydrophobicContact CB-CB 3.98Å; C100-D102 VanDerWaalsContact C-N 3.29Å; C100-L103 WeakPolarHBondContact O-CB 3.05Å; C100-L103 PolarHBondContact O-N 3Å
101Y96.9Very high97.8Very high115 Ų11561.9 Ų61.945%0.45130%0.302SS..THydrogen-bonded Turntrans-72.1-24.4176-58-75.8000112.5N87 S99 L103 R104N87-Y101 HydrophobicContact CB-CE2 4.39Å; N87-Y101 PolarHBondContact O-OH 2.92Å; S99-Y101 PolarHBondContact O-N 2.85Å; S99-Y101 VanDerWaalsContact O-N 3.16Å; S99-Y101 WeakPolarHBondContact OG-CD2 3.46Å; S99-Y101 PolarHBondContact OG-N 2.96Å; Y101-L103 VanDerWaalsContact C-N 3.28Å; Y101-L103 PolarHBondContact O-N 3.42Å; Y101-R104 PolarHBondContact O-N 3.38Å
102D97.3Very high97.9Very high77 Ų7756.6 Ų56.641%0.41227%0.267SS..G310 helixtrans-66.9-35.1176.3-62.4-26.7000110.2S99 C100 R104 N105 D110S99-D102 WeakPolarHBondContact CB-OD2 3.37Å; S99-D102 WeakPolarHBondContact O-CB 3.25Å; S99-D102 PolarHBondContact O-N 3.24Å; C100-D102 VanDerWaalsContact C-N 3.29Å; D102-R104 PolarHBondContact O-N 3.11Å; D102-N105 PolarHBondContact O-N 2.9Å; D102-N105 PolarHBondContact O-ND2 3.41Å; D102-D110 VanDerWaalsContact C-OD2 3.3Å; D102-D110 WeakPolarHBondContact CB-OD2 3.43Å
103L98.3Very high97.9Very high0 Ų059.9 Ų59.90%028%0.283CS..G310 helixtrans-65.5-7.4177.4-59175000114.8G75 L79 C85 I98 C100 Y101 D111G75-L103 VanDerWaalsContact CA-O 3.32Å; G75-L103 WeakPolarHBondContact CA-O 3.38Å; L79-L103 HydrophobicContact CB-CD1 3.8Å; L79-L103 HydrophobicContact CD1-CD1 3.68Å; L79-L103 HydrophobicContact CD1-CD2 3.63Å; L79-L103 HydrophobicContact CD1-CG 4.27Å; L79-L103 HydrophobicContact CG-CD1 4.27Å; C85-L103 HydrophobicContact CB-CD1 4.05Å; I98-L103 HydrophobicContact CD1-CD1 4.19Å; I98-L103 HydrophobicContact CD1-CD2 3.56Å; I98-L103 HydrophobicContact CD1-CG 3.94Å; C100-L103 WeakPolarHBondContact O-CB 3.05Å; C100-L103 PolarHBondContact O-N 3Å; Y101-L103 VanDerWaalsContact C-N 3.28Å; Y101-L103 PolarHBondContact O-N 3.42Å; L103-D111 HydrophobicContact CD2-CB 4.27Å
104R97.4Very high97.9Very high70 Ų7054.2 Ų54.226%0.26426%0.257SS..G310 helixtrans-102.17.4-177.9-62.4-173.271.4-155.93.6114T21 T61 S62 Y74 Y101 D102T21-R104 VanDerWaalsContact CG2-O 3.29Å; T21-R104 WeakPolarHBondContact CG2-O 3.45Å; T61-R104 VanDerWaalsContact O-CA 3.28Å; T61-R104 WeakPolarHBondContact O-CA 3.37Å; S62-R104 PolarHBondContact O-NE 2.78Å; S62-R104 PolarHBondContact O-NH2 2.92Å; Y74-R104 HydrophobicContact CD1-CG 4.06Å; Y101-R104 PolarHBondContact O-N 3.38Å; D102-R104 PolarHBondContact O-N 3.11Å
105N95.4Very high98Very high38 Ų3852.8 Ų52.820%0.20325%0.249CC..SBendtrans-94.9166.2177.383.966.2000111.5D20 T61 D102 H107D20-N105 CarbonylContact O-C 3.46Å; D20-N105 WeakPolarHBondContact O-CA 3.5Å; T61-N105 WeakPolarHBondContact CB-O 3.36Å; T61-N105 PolarHBondContact OG1-O 3.09Å; D102-N105 PolarHBondContact O-N 2.9Å; D102-N105 PolarHBondContact O-ND2 3.41Å; N105-H107 PolarHBondContact O-N 2.84Å; N105-H107 VanDerWaalsContact OD1-CA 3.27Å; N105-H107 WeakPolarHBondContact OD1-CA 3.41Å; N105-H107 WeakPolarHBondContact OD1-CB 3.29Å; N105-H107 PolarHBondContact OD1-N 3.41Å; N105-H107 PolarHBondContact OD1-O 2.97Å
106R96.8Very high98Very high93 Ų9352 Ų5235%0.35124%0.243SC..SBendtrans-69-12.5-178.169.2-177.6-70.2-1695.9114.9D20 K22 Y24D20-R106 HydrophobicContact CB-CG 4.49Å; D20-R106 WeakPolarHBondContact O-CB 3.12Å; D20-R106 PolarHBondContact O-N 3.19Å; D20-R106 WeakPolarHBondContact OD2-CD 3.2Å; D20-R106 IonicContact OD2-CZ 2.65Å; D20-R106 IonicContact OD2-NE 3.67Å; D20-R106 IonicContact OD2-NH1 2.67Å; D20-R106 PolarHBondContact OD2-NH1 2.99Å; K22-R106 HydrophobicContact CB-CB 3.74Å; Y24-R106 PolarHBondContact OH-O 3.44Å
107H96.4Very high98Very high114 Ų11454.5 Ų54.553%0.52825%0.252SS..  trans-98.191.1-176.4-58.9-52.9000110.3N105 K109N105-H107 PolarHBondContact O-N 2.84Å; N105-H107 VanDerWaalsContact OD1-CA 3.27Å; N105-H107 WeakPolarHBondContact OD1-CA 3.41Å; N105-H107 WeakPolarHBondContact OD1-CB 3.29Å; N105-H107 PolarHBondContact OD1-N 3.41Å; N105-H107 PolarHBondContact OD1-O 2.97Å; H107-K109 PolarHBondContact O-N 3.33Å
108I98.3Very high98Very high0 Ų047.5 Ų47.50%022%0.219CC..THydrogen-bonded Turntrans-75.826.6-172.461.2168.9000116.3Y24 L29 K32 L33 T61 I76 D111 I112Y24-I108 HydrophobicContact CE2-CD1 4.27Å; Y24-I108 HydrophobicContact CE2-CG1 4.42Å; Y24-I108 HydrophobicContact CE2-CG2 3.84Å; L29-I108 HydrophobicContact CD1-CD1 3.37Å; K32-I108 HydrophobicContact CG-CD1 4.02Å; K32-I108 HydrophobicContact CG-CG1 4.14Å; L33-I108 HydrophobicContact CD2-CD1 4.27Å; T61-I108 HydrophobicContact CG2-CG2 3.52Å; I76-I108 HydrophobicContact CD1-CG2 4.39Å; I76-I108 HydrophobicContact CG2-CB 4.39Å; I76-I108 HydrophobicContact CG2-CG2 3.92Å; I108-D111 VanDerWaalsContact CA-OD2 3.24Å; I108-D111 WeakPolarHBondContact CA-OD2 3.31Å; I108-D111 HydrophobicContact CB-CB 4.26Å; I108-I112 HydrophobicContact CD1-CD1 4Å; I108-I112 HydrophobicContact CG1-CD1 3.97Å; I108-I112 WeakPolarHBondContact O-CB 3.38Å; I108-I112 VanDerWaalsContact O-CD1 3.27Å; I108-I112 WeakPolarHBondContact O-CD1 3.44Å; I108-I112 WeakPolarHBondContact O-CG1 3.35Å; I108-I112 PolarHBondContact O-N 3.29Å; I108-I112 VanDerWaalsContact O-N 3.11Å
109K98.1Very high98Very high158 Ų15846 Ų4669%0.68721%0.211SC*.Hα-helixtrans-75.1-45.1-172.5-176.8-176.9174.1-171.10110.9H107 I112 L113H107-K109 PolarHBondContact O-N 3.33Å; K109-I112 PolarHBondContact O-N 3.29Å; K109-L113 HydrophobicContact CG-CD1 4.4Å; K109-L113 VanDerWaalsContact O-CG 3.3Å; K109-L113 WeakPolarHBondContact O-CG 3.17Å; K109-L113 PolarHBondContact O-N 2.95Å
110D98.3Very high98Very high33 Ų3350.4 Ų50.418%0.17623%0.226CC..Hα-helixtrans-61.1-43.1172.948.3-42.9000111.4D102 I112 L113 C114D102-D110 VanDerWaalsContact C-OD2 3.3Å; D102-D110 WeakPolarHBondContact CB-OD2 3.43Å; D110-I112 PolarHBondContact O-N 2.93Å; D110-L113 PolarHBondContact O-N 2.84Å; D110-C114 WeakPolarHBondContact O-CB 3.42Å; D110-C114 PolarHBondContact O-N 2.99Å
111D98.8Very high97.9Very high0 Ų055.3 Ų55.30%025%0.252CS..Hα-helixtrans-55.2-50.3171.9-51.8-117.5000111.3I76 F77 L103 I108 L113 C114 A115I76-D111 HydrophobicContact CG2-CB 4.16Å; F77-D111 HydrophobicContact CD2-CB 3.71Å; F77-D111 HydrophobicContact CE2-CB 3.81Å; L103-D111 HydrophobicContact CD2-CB 4.27Å; I108-D111 VanDerWaalsContact CA-OD2 3.24Å; I108-D111 WeakPolarHBondContact CA-OD2 3.31Å; I108-D111 HydrophobicContact CB-CB 4.26Å; D111-L113 VanDerWaalsContact C-N 3.34Å; D111-L113 PolarHBondContact O-N 3.49Å; D111-C114 PolarHBondContact O-N 2.89Å; D111-A115 WeakPolarHBondContact O-CB 3.34Å; D111-A115 PolarHBondContact O-N 3.27Å
112I98.8Very high97.8Very high8 Ų854.4 Ų54.44%0.04125%0.252CS..Hα-helixtrans-63-40.8-179.2-70.2164.4000111.3L33 A36 L38 F77 I108 K109 D110 K116L33-I112 HydrophobicContact CD2-CD1 3.86Å; L33-I112 HydrophobicContact CD2-CG1 3.98Å; A36-I112 HydrophobicContact CB-CD1 3.7Å; A36-I112 HydrophobicContact CB-CG2 4Å; L38-I112 HydrophobicContact CD1-CB 4.49Å; L38-I112 HydrophobicContact CD1-CD1 4.4Å; L38-I112 HydrophobicContact CD1-CG1 4.04Å; L38-I112 HydrophobicContact CD1-CG2 3.76Å; L38-I112 HydrophobicContact CD2-CG2 4.14Å; L38-I112 HydrophobicContact CG-CG2 3.98Å; F77-I112 HydrophobicContact CE2-CG1 3.85Å; F77-I112 HydrophobicContact CZ-CG1 4.1Å; I108-I112 HydrophobicContact CD1-CD1 4Å; I108-I112 HydrophobicContact CG1-CD1 3.97Å; I108-I112 WeakPolarHBondContact O-CB 3.38Å; I108-I112 VanDerWaalsContact O-CD1 3.27Å; I108-I112 WeakPolarHBondContact O-CD1 3.44Å; I108-I112 WeakPolarHBondContact O-CG1 3.35Å; I108-I112 PolarHBondContact O-N 3.29Å; I108-I112 VanDerWaalsContact O-N 3.11Å; K109-I112 PolarHBondContact O-N 3.29Å; D110-I112 PolarHBondContact O-N 2.93Å; I112-K116 HydrophobicContact CG2-CD 4.33Å; I112-K116 WeakPolarHBondContact O-CB 3.44Å; I112-K116 VanDerWaalsContact O-CG 3.29Å; I112-K116 WeakPolarHBondContact O-CG 3.48Å; I112-K116 PolarHBondContact O-N 3.18Å
113L98.7Very high97.7Very high104 Ų10457.2 Ų57.255%0.54527%0.266SS..Hα-helixtrans-66.2-41.5178.6-72.7173.2000111.4K109 D110 D111 K116 K117K109-L113 HydrophobicContact CG-CD1 4.4Å; K109-L113 VanDerWaalsContact O-CG 3.3Å; K109-L113 WeakPolarHBondContact O-CG 3.17Å; K109-L113 PolarHBondContact O-N 2.95Å; D110-L113 PolarHBondContact O-N 2.84Å; D111-L113 VanDerWaalsContact C-N 3.34Å; D111-L113 PolarHBondContact O-N 3.49Å; L113-K116 PolarHBondContact O-N 2.97Å; L113-K117 PolarHBondContact O-N 3.32Å
114C98.8Very high97.6Very high3 Ų357.3 Ų57.32%0.0227%0.267CS..Hα-helixtrans-65.7-47.8176.1-170.80000111L79 C96 I98 D110 D111 K116 K117 I118L79-C114 HydrophobicContact CD1-CB 3.85Å; C96-C114 HydrophobicContact CB-CB 3.72Å; C96-C114 WeakPolarHBondContact CB-SG 3.43Å; C96-C114 WeakPolarHBondContact SG-CA 3.41Å; C96-C114 WeakPolarHBondContact SG-CB 3.47Å; C96-C114 CovalentContact SG-SG 2.03Å; C96-C114 PolarHBondContact SG-SG 3.25Å; I98-C114 HydrophobicContact CD1-CB 4.36Å; D110-C114 WeakPolarHBondContact O-CB 3.42Å; D110-C114 PolarHBondContact O-N 2.99Å; D111-C114 PolarHBondContact O-N 2.89Å; C114-K116 VanDerWaalsContact C-N 3.3Å; C114-K116 PolarHBondContact O-N 3.37Å; C114-K117 WeakPolarHBondContact O-CA 3.46Å; C114-K117 VanDerWaalsContact O-CB 3.25Å; C114-K117 WeakPolarHBondContact O-CB 3.03Å; C114-K117 PolarHBondContact O-N 2.63Å; C114-I118 WeakPolarHBondContact O-CG1 3.05Å; C114-I118 PolarHBondContact O-N 3.03Å
115A98.7Very high97.6Very high0 Ų054 Ų540%026%0.255CS..Hα-helixtrans-60.7-37.3177.600000112.8W49 F77 D111 K117 I118 V119 W128W49-A115 HydrophobicContact CH2-CB 4.44Å; W49-A115 HydrophobicContact CZ3-CB 3.9Å; F77-A115 HydrophobicContact CD2-CB 3.78Å; F77-A115 HydrophobicContact CE2-CB 4.16Å; F77-A115 HydrophobicContact CG-CB 4.45Å; D111-A115 WeakPolarHBondContact O-CB 3.34Å; D111-A115 PolarHBondContact O-N 3.27Å; A115-K117 VanDerWaalsContact C-N 3.27Å; A115-K117 PolarHBondContact O-N 3.26Å; A115-I118 PolarHBondContact O-N 3.39Å; A115-V119 PolarHBondContact O-N 2.96Å; A115-W128 HydrophobicContact CB-CH2 3.96Å; A115-W128 HydrophobicContact CB-CZ2 4.09Å
116K98.7Very high97.5Very high37 Ų3755.4 Ų55.416%0.16127%0.268CS..Hα-helixtrans-60.3-36.1170.9-80.1-177.7167.1-175.80112.6A36 G37 L38 F41 I112 L113 C114 K120A36-K116 PolarHBondContact O-NZ 3.46Å; G37-K116 WeakPolarHBondContact O-CE 3.39Å; G37-K116 PolarHBondContact O-NZ 2.03Å; L38-K116 HydrophobicContact CD2-CD 4.16Å; L38-K116 HydrophobicContact CD2-CG 3.75Å; F41-K116 HydrophobicContact CD1-CG 4.19Å; F41-K116 HydrophobicContact CD2-CD 4.26Å; F41-K116 HydrophobicContact CD2-CG 4.36Å; F41-K116 HydrophobicContact CE1-CB 3.97Å; F41-K116 HydrophobicContact CE1-CG 3.75Å; F41-K116 HydrophobicContact CE2-CB 4.32Å; F41-K116 HydrophobicContact CE2-CD 3.93Å; F41-K116 HydrophobicContact CE2-CG 3.94Å; F41-K116 HydrophobicContact CG-CG 4.46Å; F41-K116 HydrophobicContact CZ-CB 3.65Å; F41-K116 HydrophobicContact CZ-CD 4.09Å; F41-K116 HydrophobicContact CZ-CG 3.6Å; I112-K116 HydrophobicContact CG2-CD 4.33Å; I112-K116 WeakPolarHBondContact O-CB 3.44Å; I112-K116 VanDerWaalsContact O-CG 3.29Å; I112-K116 WeakPolarHBondContact O-CG 3.48Å; I112-K116 PolarHBondContact O-N 3.18Å; L113-K116 PolarHBondContact O-N 2.97Å; C114-K116 VanDerWaalsContact C-N 3.3Å; C114-K116 PolarHBondContact O-N 3.37Å; K116-K120 WeakPolarHBondContact O-CG 3.02Å; K116-K120 PolarHBondContact O-N 3.22Å
117K98.6Very high97.4Very high75 Ų7552.9 Ų52.933%0.32627%0.267SS..Hα-helixtrans-68-44.7175.8-175.6170.2-179.8164.30110.6L95 L113 C114 A115 K120 L121L95-K117 VanDerWaalsContact O-CE 3.29Å; L95-K117 WeakPolarHBondContact O-CE 3.47Å; L95-K117 PolarHBondContact O-NZ 3.17Å; L113-K117 PolarHBondContact O-N 3.32Å; C114-K117 WeakPolarHBondContact O-CA 3.46Å; C114-K117 VanDerWaalsContact O-CB 3.25Å; C114-K117 WeakPolarHBondContact O-CB 3.03Å; C114-K117 PolarHBondContact O-N 2.63Å; A115-K117 VanDerWaalsContact C-N 3.27Å; A115-K117 PolarHBondContact O-N 3.26Å; K117-K120 PolarHBondContact O-N 3.08Å; K117-L121 HydrophobicContact CG-CD1 3.89Å; K117-L121 HydrophobicContact CG-CG 4.38Å; K117-L121 WeakPolarHBondContact O-CG 3.46Å; K117-L121 PolarHBondContact O-N 3.38Å
118I98.4Very high97.5Very high2 Ų248 Ų481%0.0124%0.244CC..Hα-helixtrans-57.3-54176.3-60.2178000110.6L79 W84 C114 A115 K120 L121 H122 A127 W128L79-I118 HydrophobicContact CD2-CD1 3.43Å; L79-I118 VanDerWaalsContact CD2-CD1 3.43Å; W84-I118 HydrophobicContact CD2-CD1 3.64Å; W84-I118 HydrophobicContact CD2-CG1 3.68Å; W84-I118 HydrophobicContact CE3-CD1 4.13Å; W84-I118 HydrophobicContact CE3-CG1 3.68Å; W84-I118 HydrophobicContact CG-CD1 3.97Å; W84-I118 HydrophobicContact CG-CG1 4.49Å; W84-I118 HydrophobicContact CH2-CB 4.27Å; W84-I118 HydrophobicContact CH2-CD1 4.49Å; W84-I118 HydrophobicContact CH2-CG1 3.65Å; W84-I118 HydrophobicContact CH2-CG2 4.35Å; W84-I118 HydrophobicContact CZ2-CB 4.3Å; W84-I118 HydrophobicContact CZ2-CD1 4.01Å; W84-I118 HydrophobicContact CZ2-CG1 3.62Å; W84-I118 HydrophobicContact CZ2-CG2 4.04Å; W84-I118 HydrophobicContact CZ3-CG1 3.67Å; C114-I118 WeakPolarHBondContact O-CG1 3.05Å; C114-I118 PolarHBondContact O-N 3.03Å; A115-I118 PolarHBondContact O-N 3.39Å; I118-K120 PolarHBondContact O-N 2.89Å; I118-L121 PolarHBondContact O-N 3.35Å; I118-H122 PolarHBondContact O-CD2 2.91Å; I118-H122 PolarHBondContact O-N 3.03Å; I118-A127 HydrophobicContact CG2-CB 3.45Å; I118-A127 VanDerWaalsContact CG2-CB 3.45Å; I118-W128 HydrophobicContact CB-CH2 3.63Å; I118-W128 HydrophobicContact CB-CZ2 4.4Å; I118-W128 HydrophobicContact CB-CZ3 4.11Å; I118-W128 HydrophobicContact CD1-CH2 3.92Å; I118-W128 HydrophobicContact CD1-CZ2 3.79Å; I118-W128 HydrophobicContact CG1-CH2 4.33Å; I118-W128 HydrophobicContact CG2-CE3 4.39Å; I118-W128 HydrophobicContact CG2-CH2 3.54Å; I118-W128 HydrophobicContact CG2-CZ2 4.25Å; I118-W128 HydrophobicContact CG2-CZ3 3.6Å
119V98.1Very high97.4Very high0 Ų053.5 Ų53.50%027%0.273CS..Hα-helixtrans-58.6-36.1-178.8172.20000112.1F41 M42 Y44 W49 A115 N123 G124 M125 W128F41-V119 HydrophobicContact CD1-CG1 4.44Å; F41-V119 HydrophobicContact CE1-CB 4.19Å; F41-V119 HydrophobicContact CE1-CG1 4.12Å; M42-V119 HydrophobicContact CB-CG1 3.82Å; M42-V119 HydrophobicContact CG-CG1 3.93Å; Y44-V119 HydrophobicContact CD2-CG1 4.2Å; Y44-V119 HydrophobicContact CE2-CG1 4.07Å; W49-V119 HydrophobicContact CH2-CB 4.43Å; W49-V119 HydrophobicContact CH2-CG2 3.53Å; W49-V119 HydrophobicContact CZ2-CG2 4.14Å; W49-V119 HydrophobicContact CZ3-CG2 4.35Å; A115-V119 PolarHBondContact O-N 2.96Å; V119-N123 CarbonylContact O-C 3.58Å; V119-N123 WeakPolarHBondContact O-CA 3.06Å; V119-N123 PolarHBondContact O-N 2.93Å; V119-N123 VanDerWaalsContact O-N 3.08Å; V119-G124 WeakPolarHBondContact CA-O 3.2Å; V119-G124 PolarHBondContact O-N 3.46Å; V119-M125 HydrophobicContact CG2-CG 3.8Å; V119-W128 HydrophobicContact CG2-CH2 4.19Å; V119-W128 HydrophobicContact CG2-CZ3 3.68Å
120K98.1Very high97.2Very high131 Ų13147.8 Ų47.857%0.5725%0.252SS*.Hα-helixtrans-68.1-44.6174.5-76.8176.3173.4-176.50112.7F41 M42 K116 K117 I118F41-K120 HydrophobicContact CZ-CD 4.23Å; F41-K120 HydrophobicContact CZ-CG 4.03Å; M42-K120 HydrophobicContact SD-CG 4.34Å; K116-K120 WeakPolarHBondContact O-CG 3.02Å; K116-K120 PolarHBondContact O-N 3.22Å; K117-K120 PolarHBondContact O-N 3.08Å; I118-K120 PolarHBondContact O-N 2.89Å
121L97.1Very high97.2Very high103 Ų10347 Ų4754%0.53925%0.246SC..Hα-helixtrans-68.6-37.5-178-72.5172.9000112.2W84 K117 I118W84-L121 HydrophobicContact CH2-CD1 4.04Å; W84-L121 HydrophobicContact CZ3-CD1 3.86Å; K117-L121 HydrophobicContact CG-CD1 3.89Å; K117-L121 HydrophobicContact CG-CG 4.38Å; K117-L121 WeakPolarHBondContact O-CG 3.46Å; K117-L121 PolarHBondContact O-N 3.38Å; I118-L121 PolarHBondContact O-N 3.35Å
122H95.4Very high97.1Very high97 Ų9749.7 Ų49.745%0.44926%0.263SS..THydrogen-bonded Turntrans-92.51.5-179.4-69.8-94.8000113.6W84 I118 G124 A127W84-H122 AromaticContact CH2-NE2 3.76Å; W84-H122 AromaticContact CZ2-NE2 3.64Å; I118-H122 PolarHBondContact O-CD2 2.91Å; I118-H122 PolarHBondContact O-N 3.03Å; H122-G124 PolarHBondContact O-N 3.16Å; H122-A127 HydrophobicContact CB-CB 4.06Å
123N94.6Very high97.1Very high135 Ų13555.9 Ų55.972%0.72229%0.291SS*.THydrogen-bonded Turntrans52.235.7-175-167.247.4000113.4V119V119-N123 CarbonylContact O-C 3.58Å; V119-N123 WeakPolarHBondContact O-CA 3.06Å; V119-N123 PolarHBondContact O-N 2.93Å; V119-N123 VanDerWaalsContact O-N 3.08Å
124G95.8Very high97Very high2 Ų255 Ų552%0.02128%0.284CS..SBendtrans159.8177.1-177.700000114.7Y44 V119 H122 S126Y44-G124 WeakPolarHBondContact OH-CA 3.39Å; V119-G124 WeakPolarHBondContact CA-O 3.2Å; V119-G124 PolarHBondContact O-N 3.46Å; H122-G124 PolarHBondContact O-N 3.16Å; G124-S126 VanDerWaalsContact C-N 3.3Å
125M97.3Very high97Very high0 Ų054.9 Ų54.90%028%0.284CS..SBendtrans-85.63174.8-69.5-172.272.700113.6Y44 D48 W49 M52 V119 A127 W128 W131Y44-M125 HydrophobicContact CD1-CB 4.47Å; Y44-M125 HydrophobicContact CD1-CG 3.91Å; Y44-M125 HydrophobicContact CD1-SD 3.6Å; Y44-M125 HydrophobicContact CD2-CG 3.95Å; Y44-M125 HydrophobicContact CD2-SD 4.26Å; Y44-M125 HydrophobicContact CE1-CB 4.02Å; Y44-M125 HydrophobicContact CE1-CG 3.88Å; Y44-M125 HydrophobicContact CE1-SD 4.12Å; Y44-M125 HydrophobicContact CE2-CG 3.92Å; Y44-M125 HydrophobicContact CG-CG 3.94Å; Y44-M125 HydrophobicContact CG-SD 3.67Å; Y44-M125 PolarHBondContact OH-N 3.22Å; D48-M125 HydrophobicContact CB-SD 3.88Å; W49-M125 HydrophobicContact CD2-CE 4.23Å; W49-M125 HydrophobicContact CD2-SD 4.42Å; W49-M125 HydrophobicContact CE3-CE 3.99Å; W49-M125 HydrophobicContact CZ2-SD 4.46Å; W49-M125 HydrophobicContact CZ3-CE 4.25Å; M52-M125 HydrophobicContact CB-CE 3.63Å; M52-M125 HydrophobicContact CE-CE 3.93Å; M52-M125 HydrophobicContact CG-CE 3.97Å; V119-M125 HydrophobicContact CG2-CG 3.8Å; M125-A127 PolarHBondContact O-N 3.03Å; M125-A127 VanDerWaalsContact O-N 3.07Å; M125-W128 HydrophobicContact CB-CE3 4.49Å; M125-W128 PolarHBondContact O-N 2.86Å; M125-W131 HydrophobicContact CB-CD2 3.52Å; M125-W131 HydrophobicContact CB-CE3 3.64Å; M125-W131 HydrophobicContact CB-CG 4.05Å; M125-W131 HydrophobicContact CB-CH2 4.24Å; M125-W131 HydrophobicContact CB-CZ2 4.12Å; M125-W131 HydrophobicContact CB-CZ3 4Å; M125-W131 HydrophobicContact CE-CG 4.18Å
126S95Very high96.9Very high68 Ų6857.4 Ų57.448%0.47630%0.301SS..THydrogen-bonded Turntrans-68.8-3.5177.962.20000114.1G124 W128G124-S126 VanDerWaalsContact C-N 3.3Å; S126-W128 PolarHBondContact O-N 3.4Å
127A94.5Very high96.8Very high41 Ų4159.8 Ų59.834%0.33934%0.336SS..THydrogen-bonded Turntrans-65.4-21.816700000112.5I118 H122 M125I118-A127 HydrophobicContact CG2-CB 3.45Å; I118-A127 VanDerWaalsContact CG2-CB 3.45Å; H122-A127 HydrophobicContact CB-CB 4.06Å; M125-A127 PolarHBondContact O-N 3.03Å; M125-A127 VanDerWaalsContact O-N 3.07Å
128W97.6Very high96.7Very high12 Ų1261.8 Ų61.85%0.04535%0.346CS..SBendtrans-99105170.1-67.9-91000108.8M52 F77 L79 A115 I118 V119 M125 S126 T130 W131 T132M52-W128 HydrophobicContact CE-CD2 4.41Å; M52-W128 HydrophobicContact CE-CZ2 4.24Å; M52-W128 HydrophobicContact CG-CB 4.2Å; M52-W128 HydrophobicContact CG-CD2 4.33Å; M52-W128 HydrophobicContact CG-CG 3.96Å; M52-W128 HydrophobicContact SD-CD2 4.47Å; M52-W128 HydrophobicContact SD-CG 4.33Å; F77-W128 PolarHBondContact O-NE1 2.97Å; L79-W128 HydrophobicContact CD2-CZ2 4.18Å; A115-W128 HydrophobicContact CB-CH2 3.96Å; A115-W128 HydrophobicContact CB-CZ2 4.09Å; I118-W128 HydrophobicContact CB-CH2 3.63Å; I118-W128 HydrophobicContact CB-CZ2 4.4Å; I118-W128 HydrophobicContact CB-CZ3 4.11Å; I118-W128 HydrophobicContact CD1-CH2 3.92Å; I118-W128 HydrophobicContact CD1-CZ2 3.79Å; I118-W128 HydrophobicContact CG1-CH2 4.33Å; I118-W128 HydrophobicContact CG2-CE3 4.39Å; I118-W128 HydrophobicContact CG2-CH2 3.54Å; I118-W128 HydrophobicContact CG2-CZ2 4.25Å; I118-W128 HydrophobicContact CG2-CZ3 3.6Å; V119-W128 HydrophobicContact CG2-CH2 4.19Å; V119-W128 HydrophobicContact CG2-CZ3 3.68Å; M125-W128 HydrophobicContact CB-CE3 4.49Å; M125-W128 PolarHBondContact O-N 2.86Å; S126-W128 PolarHBondContact O-N 3.4Å; W128-T130 PolarHBondContact O-N 3.42Å; W128-W131 HydrophobicContact CB-CB 3.91Å; W128-W131 PolarHBondContact O-N 2.98Å; W128-W131 VanDerWaalsContact O-N 3.13Å; W128-T132 PolarHBondContact O-N 2.73Å; W128-T132 VanDerWaalsContact O-N 3.15Å; W128-T132 PolarHBondContact O-OG1 3.47Å
129D95.6Very high96.7Very high114 Ų11467.1 Ų67.161%0.6138%0.375SS*.Hα-helixtrans-56.4-39176.4-81-14.1000110.7W131 T132 H133D129-W131 PolarHBondContact O-N 3.2Å; D129-T132 WeakPolarHBondContact O-CB 3.47Å; D129-T132 PolarHBondContact O-N 2.91Å; D129-T132 VanDerWaalsContact O-N 3.09Å; D129-H133 PolarHBondContact O-N 2.96Å; D129-H133 PolarHBondContact O-ND1 3.32Å
130T94.4Very high96.6Very high38 Ų3867.8 Ų67.823%0.23338%0.378CS..Hα-helixtrans-60.1-42.6177.9-40.10000112.3Y55 E56 W128 T132 H133 H134Y55-T130 HydrophobicContact CG-CG2 4.33Å; E56-T130 WeakPolarHBondContact OE1-CB 3.36Å; E56-T130 PolarHBondContact OE1-OG1 2.83Å; W128-T130 PolarHBondContact O-N 3.42Å; T130-T132 VanDerWaalsContact C-N 3.32Å; T130-T132 PolarHBondContact O-N 3.5Å; T130-H133 PolarHBondContact O-N 3.43Å; T130-H134 WeakPolarHBondContact O-CB 3.43Å; T130-H134 PolarHBondContact O-CD2 2.92Å; T130-H134 PolarHBondContact O-N 2.04Å
131W97.8Very high96.5Very high17 Ų1764.8 Ų64.86%0.06437%0.374CS..Hα-helixtrans-63.2-40.7174.5175.386.5000111.3Y44 M52 M125 W128 D129 H133 C135 S136Y44-W131 HydrophobicContact CD1-CZ2 4.03Å; Y44-W131 AromaticContact CE1-CH2 3.7Å; Y44-W131 HydrophobicContact CE1-CH2 3.7Å; Y44-W131 AromaticContact CE1-CZ2 3.5Å; Y44-W131 HydrophobicContact CE1-CZ2 3.5Å; M52-W131 HydrophobicContact CB-CB 4.11Å; M52-W131 HydrophobicContact CB-CG 4.31Å; M52-W131 HydrophobicContact CG-CB 4.09Å; M125-W131 HydrophobicContact CB-CD2 3.52Å; M125-W131 HydrophobicContact CB-CE3 3.64Å; M125-W131 HydrophobicContact CB-CG 4.05Å; M125-W131 HydrophobicContact CB-CH2 4.24Å; M125-W131 HydrophobicContact CB-CZ2 4.12Å; M125-W131 HydrophobicContact CB-CZ3 4Å; M125-W131 HydrophobicContact CE-CG 4.18Å; W128-W131 HydrophobicContact CB-CB 3.91Å; W128-W131 PolarHBondContact O-N 2.98Å; W128-W131 VanDerWaalsContact O-N 3.13Å; D129-W131 PolarHBondContact O-N 3.2Å; W131-H133 VanDerWaalsContact C-N 3.3Å; W131-H133 PolarHBondContact O-N 2.76Å; W131-C135 HydrophobicContact CD2-CB 4.45Å; W131-C135 HydrophobicContact CG-CB 3.92Å; W131-C135 WeakPolarHBondContact O-CA 3.46Å; W131-C135 VanDerWaalsContact O-CB 3.24Å; W131-C135 WeakPolarHBondContact O-CB 3.3Å; W131-C135 PolarHBondContact O-N 2.03Å; W131-S136 PolarHBondContact O-N 2.99Å
132T97.4Very high96.4Very high57 Ų5765.9 Ų65.935%0.3538%0.376SS..Hα-helixtrans-60.6-40.9178.1-57.50000111.7W128 D129 T130 S136W128-T132 PolarHBondContact O-N 2.73Å; W128-T132 VanDerWaalsContact O-N 3.15Å; W128-T132 PolarHBondContact O-OG1 3.47Å; D129-T132 WeakPolarHBondContact O-CB 3.47Å; D129-T132 PolarHBondContact O-N 2.91Å; D129-T132 VanDerWaalsContact O-N 3.09Å; T130-T132 VanDerWaalsContact C-N 3.32Å; T130-T132 PolarHBondContact O-N 3.5Å; T132-S136 WeakPolarHBondContact O-CB 3.46Å
133H97.8Very high96.5Very high137 Ų13762.8 Ų62.863%0.63436%0.36SS*.Hα-helixtrans-80.6-31.7-176.9-70.588000114.2D129 T130 W131D129-H133 PolarHBondContact O-N 2.96Å; D129-H133 PolarHBondContact O-ND1 3.32Å; T130-H133 PolarHBondContact O-N 3.43Å; W131-H133 VanDerWaalsContact C-N 3.3Å; W131-H133 PolarHBondContact O-N 2.76Å
134H97.8Very high96.7Very high86 Ų8658.4 Ų58.440%0.39834%0.338SS..Hα-helixtrans-113-17.3-170-66.6-75.3000115.1Y55 T130Y55-H134 HydrophobicContact CD1-CB 4.07Å; Y55-H134 AromaticContact CD1-CD2 3.92Å; Y55-H134 AromaticContact CD1-CG 3.72Å; Y55-H134 AromaticContact CD1-ND1 3.94Å; Y55-H134 HydrophobicContact CD2-CB 3.57Å; Y55-H134 HydrophobicContact CE1-CB 3.98Å; Y55-H134 AromaticContact CE1-CG 3.67Å; Y55-H134 AromaticContact CE1-ND1 3.5Å; Y55-H134 WeakPolarHBondContact CE1-ND1 3.44Å; Y55-H134 HydrophobicContact CE2-CB 3.48Å; Y55-H134 VanDerWaalsContact CE2-CB 3.48Å; Y55-H134 HydrophobicContact CG-CB 3.87Å; Y55-H134 AromaticContact CG-CG 3.96Å; Y55-H134 AromaticContact CZ-CG 3.87Å; Y55-H134 AromaticContact CZ-ND1 3.81Å; T130-H134 WeakPolarHBondContact O-CB 3.43Å; T130-H134 PolarHBondContact O-CD2 2.92Å; T130-H134 PolarHBondContact O-N 2.04Å
135C98.1Very high96.7Very high1 Ų165.9 Ų65.91%0.00737%0.371CS..THydrogen-bonded Turntrans-124.3-41.8-169.1-53.20000112.9C51 W131 G137 H138 L140C51-C135 HydrophobicContact CB-CB 3.78Å; C51-C135 WeakPolarHBondContact CB-SG 3.08Å; C51-C135 VanDerWaalsContact SG-CA 3.55Å; C51-C135 WeakPolarHBondContact SG-CB 3.45Å; C51-C135 CovalentContact SG-SG 2.03Å; C51-C135 PolarHBondContact SG-SG 3.16Å; W131-C135 HydrophobicContact CD2-CB 4.45Å; W131-C135 HydrophobicContact CG-CB 3.92Å; W131-C135 WeakPolarHBondContact O-CA 3.46Å; W131-C135 VanDerWaalsContact O-CB 3.24Å; W131-C135 WeakPolarHBondContact O-CB 3.3Å; W131-C135 PolarHBondContact O-N 2.03Å; C135-G137 PolarHBondContact O-N 3.19Å; C135-H138 PolarHBondContact O-N 3.14Å; C135-L140 HydrophobicContact CB-CD1 4.19Å; C135-L140 HydrophobicContact CB-CD2 4.46Å
136S97.8Very high96.6Very high52 Ų5269.1 Ų69.136%0.36440%0.403SS..THydrogen-bonded Turntrans-58.1130.4-177.8-173.30000111.9W131 T132 H138W131-S136 PolarHBondContact O-N 2.99Å; T132-S136 WeakPolarHBondContact O-CB 3.46Å; S136-H138 PolarHBondContact O-CD2 3.3Å; S136-H138 VanDerWaalsContact O-CD2 3.3Å; S136-H138 PolarHBondContact O-N 2.95Å
137G96.6Very high96.6Very high87 Ų8766.7 Ų66.790%0.89739%0.387SS*.THydrogen-bonded Turntrans75.50.3178.600000115.7C135C135-G137 PolarHBondContact O-N 3.19Å
138H96.3Very high96.5Very high118 Ų11871.6 Ų71.655%0.54640%0.402SS..SBendtrans-94.2157.8176.6-67.7-81.5000112.6C135 S136 L140C135-H138 PolarHBondContact O-N 3.14Å; S136-H138 PolarHBondContact O-CD2 3.3Å; S136-H138 VanDerWaalsContact O-CD2 3.3Å; S136-H138 PolarHBondContact O-N 2.95Å; H138-L140 HydrophobicContact CB-CD2 4.11Å; H138-L140 PolarHBondContact O-N 3.49Å
139D97.2Very high96Very high114 Ų11473.1 Ų73.161%0.6141%0.411SS*.  trans-73.9110.7166.8-179.99.3000110.2S141 Q142D139-S141 VanDerWaalsContact CG-OG 3.28Å; D139-S141 WeakPolarHBondContact OD1-CB 3.36Å; D139-S141 PolarHBondContact OD1-N 3Å; D139-S141 PolarHBondContact OD1-OG 3.38Å; D139-S141 PolarHBondContact OD2-OG 3.06Å; D139-S141 VanDerWaalsContact OD2-OG 3.04Å; D139-Q142 PolarHBondContact O-NE2 3.33Å
140L97.6Very high94.9Very high14 Ų1477 Ų777%0.07342%0.418CS..  trans-98.38.5-179.1-56.7-174.8000113.2D48 C51 C135 H138 Q142 W143D48-L140 HydrophobicContact CB-CD1 4.27Å; D48-L140 WeakPolarHBondContact OD1-CD1 3.29Å; C51-L140 HydrophobicContact CB-CD1 4.11Å; C51-L140 HydrophobicContact CB-CD2 4.08Å; C135-L140 HydrophobicContact CB-CD1 4.19Å; C135-L140 HydrophobicContact CB-CD2 4.46Å; H138-L140 HydrophobicContact CB-CD2 4.11Å; H138-L140 PolarHBondContact O-N 3.49Å; L140-Q142 PolarHBondContact O-N 2.97Å; L140-W143 WeakPolarHBondContact O-CB 3.28Å; L140-W143 PolarHBondContact O-N 3.25Å
141S94.9Very high93.6Very high67 Ų6778.9 Ų78.947%0.46943%0.426SS..G310 helixtrans-58.3-31.9178.8660000113D139 W143 T144 K145D139-S141 VanDerWaalsContact CG-OG 3.28Å; D139-S141 WeakPolarHBondContact OD1-CB 3.36Å; D139-S141 PolarHBondContact OD1-N 3Å; D139-S141 PolarHBondContact OD1-OG 3.38Å; D139-S141 PolarHBondContact OD2-OG 3.06Å; D139-S141 VanDerWaalsContact OD2-OG 3.04Å; S141-W143 PolarHBondContact O-N 3.33Å; S141-T144 PolarHBondContact O-N 3.36Å; S141-T144 PolarHBondContact O-OG1 3.5Å; S141-K145 PolarHBondContact O-N 3.02Å
142Q95.8Very high91.7Very high126 Ų12687.1 Ų87.159%0.58946%0.463SS*.G310 helixtrans-58.2-31175.361.5-168.7-32.200113.5D139 L140 T144 K145D139-Q142 PolarHBondContact O-NE2 3.33Å; L140-Q142 PolarHBondContact O-N 2.97Å; Q142-T144 PolarHBondContact O-N 3.16Å; Q142-K145 WeakPolarHBondContact O-CB 3.41Å; Q142-K145 PolarHBondContact O-N 3.11Å
143W97.5Very high89.8Confident33 Ų3390.4 Ų90.413%0.12549%0.485CS..G310 helixtrans-66.8-23.2-179.5-71.1101.2000113.4R26 L50 C51 H54 Y55 F59 L140 S141R26-W143 WeakPolarHBondContact CD-O 3.35Å; R26-W143 VanDerWaalsContact NH1-C 3.31Å; R26-W143 PolarHBondContact NH1-O 3.38Å; L50-W143 HydrophobicContact CB-CB 4.07Å; L50-W143 HydrophobicContact CB-CD2 4.3Å; L50-W143 HydrophobicContact CB-CE3 4Å; L50-W143 HydrophobicContact CB-CG 4.35Å; L50-W143 HydrophobicContact CD1-CB 4.06Å; L50-W143 VanDerWaalsContact CD1-O 3.25Å; L50-W143 WeakPolarHBondContact CD1-O 3.37Å; C51-W143 HydrophobicContact CB-CD2 4.27Å; C51-W143 HydrophobicContact CB-CG 4.45Å; C51-W143 HydrophobicContact CB-CZ2 4.12Å; H54-W143 HydrophobicContact CB-CH2 3.45Å; H54-W143 VanDerWaalsContact CB-CH2 3.45Å; H54-W143 HydrophobicContact CB-CZ2 4.38Å; H54-W143 HydrophobicContact CB-CZ3 3.65Å; H54-W143 AromaticContact CD2-CH2 3.5Å; H54-W143 AromaticContact CG-CH2 3.37Å; H54-W143 AromaticContact CG-CZ3 3.8Å; Y55-W143 HydrophobicContact CE2-CZ2 4.29Å; F59-W143 HydrophobicContact CZ-CE3 4.32Å; F59-W143 AromaticContact CZ-CZ3 3.88Å; F59-W143 HydrophobicContact CZ-CZ3 3.88Å; L140-W143 WeakPolarHBondContact O-CB 3.28Å; L140-W143 PolarHBondContact O-N 3.25Å; S141-W143 PolarHBondContact O-N 3.33Å
144T96.9Very high87.9Confident42 Ų4290.9 Ų90.926%0.25849%0.487SS..G310 helixtrans-109.5-1.917860.30000112.9I46 L50 S141 Q142 G146 C147 L149I46-T144 HydrophobicContact CB-CG2 4.11Å; I46-T144 HydrophobicContact CG2-CG2 3.98Å; L50-T144 HydrophobicContact CD1-CG2 4.19Å; S141-T144 PolarHBondContact O-N 3.36Å; S141-T144 PolarHBondContact O-OG1 3.5Å; Q142-T144 PolarHBondContact O-N 3.16Å; T144-G146 PolarHBondContact O-N 3.48Å; T144-C147 WeakPolarHBondContact O-CB 3.17Å; T144-C147 PolarHBondContact O-N 3.32Å; T144-L149 HydrophobicContact CG2-CD1 4Å
145K96.3Very high85.6Confident160 Ų16096.6 Ų96.670%0.69651%0.507SS*.THydrogen-bonded Turntrans-56.9127.1178.3-171.1175.4-178.6177.70111R26 S141 Q142 C147R26-K145 PolarHBondContact NH1-O 3.15Å; R26-K145 PolarHBondContact NH2-O 3.04Å; S141-K145 PolarHBondContact O-N 3.02Å; Q142-K145 WeakPolarHBondContact O-CB 3.41Å; Q142-K145 PolarHBondContact O-N 3.11Å; K145-C147 VanDerWaalsContact C-N 3.26Å; K145-C147 PolarHBondContact O-N 3.04Å
146G95.6Very high83.5Confident67 Ų67106 Ų10669%0.69154%0.542SS*.THydrogen-bonded Turntrans76.71.5-178.800000115.3T144T144-G146 PolarHBondContact O-N 3.48Å
147C96.2Very high81.1Confident18 Ų18113 Ų11312%0.12257%0.566CS.*  trans-88.9129.9176.4-550000111.2R26 C27 A30 T144 K145 L149R26-C147 PolarHBondContact NH1-SG 2.89Å; C27-C147 WeakPolarHBondContact CA-SG 3.22Å; C27-C147 HydrophobicContact CB-CB 3.75Å; C27-C147 WeakPolarHBondContact CB-SG 3.23Å; C27-C147 WeakPolarHBondContact SG-CA 3.33Å; C27-C147 WeakPolarHBondContact SG-CB 3.33Å; C27-C147 CovalentContact SG-SG 2.05Å; C27-C147 PolarHBondContact SG-SG 3.24Å; A30-C147 HydrophobicContact CB-CB 4.46Å; T144-C147 WeakPolarHBondContact O-CB 3.17Å; T144-C147 PolarHBondContact O-N 3.32Å; K145-C147 VanDerWaalsContact C-N 3.26Å; K145-C147 PolarHBondContact O-N 3.04Å; C147-L149 HydrophobicContact CB-CD2 4.15Å; C147-L149 HydrophobicContact CB-CG 4.2Å; C147-L149 PolarHBondContact O-N 3.19Å; C147-L149 VanDerWaalsContact O-N 3.14Å
148H91.3Very high78.5Confident143 Ų143115.4 Ų115.466%0.66256%0.558SS**  trans-80.693.3172.6-62.394.2000109.6Q31Q31-H148 PolarHBondContact NE2-O 3.07Å
149L86.6Confident76.3Confident44 Ų44115.5 Ų115.523%0.2356%0.563CS.*  trans-96.9111.1179.6-58.6-178.5000110.4A30 Q31 T144 C147 L151A30-L149 HydrophobicContact CB-CD2 3.74Å; Q31-L149 HydrophobicContact CG-CD2 4.07Å; T144-L149 HydrophobicContact CG2-CD1 4Å; C147-L149 HydrophobicContact CB-CD2 4.15Å; C147-L149 HydrophobicContact CB-CG 4.2Å; C147-L149 PolarHBondContact O-N 3.19Å; C147-L149 VanDerWaalsContact O-N 3.14Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-L151 HydrophobicContact CB-CD2 4.33Å; L149-L151 HydrophobicContact CB-CG 4.17Å; L149-L151 PolarHBondContact O-N 3.32Å; L149-L151 VanDerWaalsContact O-N 3.1Å
150Y72.8Confident73.6Confident196 Ų196125.2 Ų125.277%0.76959%0.591SS**  trans-81.584.5168.2-61.9-78.8000109.2
151L66.6Low72.4Confident77 Ų77130.8 Ų130.840%0.40362%0.617SS.*PPolyproline II helixtrans-79123.6174.1-59.7176.5000108.6A34 N39 L149A34-L151 HydrophobicContact CB-CD2 3.95Å; N39-L151 HydrophobicContact CB-CD2 3.8Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-L151 HydrophobicContact CB-CD2 4.33Å; L149-L151 HydrophobicContact CB-CG 4.17Å; L149-L151 PolarHBondContact O-N 3.32Å; L149-L151 VanDerWaalsContact O-N 3.1Å
152K59.4Low71.2Confident191 Ų191134.2 Ų134.283%0.8363%0.625SS**PPolyproline II helixtrans-62.4133.1167.1-75.6-171.6176.2-176.30107.8H154K152-H154 PolarHBondContact O-N 2.96Å; K152-H154 VanDerWaalsContact O-N 3.12Å
153P57.8Low69.8Low125 Ų125134.6 Ų134.681%0.81263%0.627SS**PPolyproline II helixtrans-55.2121.6173.6-21.430.5000109.4Y155P153-Y155 PolarHBondContact O-N 3.31Å
154H56.3Low68.2Low148 Ų148140.6 Ų140.669%0.68566%0.656SS**  trans-71.2111.5166.2-107.1-84000106.8K152 R156K152-H154 PolarHBondContact O-N 2.96Å; K152-H154 VanDerWaalsContact O-N 3.12Å; H154-R156 PolarHBondContact O-N 2.63Å
155Y51.2Low66.4Low205 Ų205146.8 Ų146.880%0.80468%0.681SS**  trans-61.1113170.2-139.7-86.4000107.4P153 K157P153-Y155 PolarHBondContact O-N 3.31Å; Y155-K157 PolarHBondContact O-N 3.04Å
156R53.5Low64.4Low198 Ų198145.9 Ų145.975%0.74768%0.68SS**  trans-72.5120.9178-144.5-173.2-70.2-177-0.6106.3H154 N158H154-R156 PolarHBondContact O-N 2.63Å; R156-N158 PolarHBondContact O-N 2.97Å
157K46.1Very low62.2Low201 Ų201151.5 Ų151.587%0.87468%0.68SS**THydrogen-bonded Turntrans-75.627.2-173.2-152.9-173.4177.7-1780114Y155Y155-K157 PolarHBondContact O-N 3.04Å
158N42.7Very low59.5Low137 Ų137161.8 Ų161.873%0.73372%0.723SS**THydrogen-bonded Turntrans-13318.9-174.6-63.49.8000113.7R156 W160R156-N158 PolarHBondContact O-N 2.97Å; N158-W160 VanDerWaalsContact C-N 3.31Å; N158-W160 PolarHBondContact O-N 3.27Å
159D49.3Very low56.9Low119 Ų119163.3 Ų163.364%0.63673%0.728SS**  trans-92.761.9169.1-70.7-14.6000110
160W40.6Very low54.2Low319 Ų319174.2 Ų174.2100%1.20877%0.773SS**  trans-156.30160.9-68.8102000109.3N158N158-W160 VanDerWaalsContact C-N 3.31Å; N158-W160 PolarHBondContact O-N 3.27Å

Retrieved 160 of 160 residues in 52.4 ms (Link to these results)

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