A0A087XFF4_POEFO Loading...

Cathepsin L.1

AlphaFold DB , UniProt , Accession A0A087XFF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 334 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
1M49.4Very low49.6Very low200 Ų200122.1 Ų122.199%0.98566%0.662SS**  0-310-85.6169.366.500115.2
2K48.8Very low49.1Very low183 Ų183118.2 Ų118.280%0.79666%0.658SS**Hα-helixtrans-75.3-24.7-180-68.2-172.9175.2-178.60115.3
3I51.5Low48.9Very low142 Ų142118.5 Ų118.573%0.72866%0.664SS**Hα-helixtrans-79.3-32.5-179-62.6171.7000112.1L5 F6 V7I3-L5 VanDerWaalsContact C-N 3.33Å; I3-L5 PolarHBondContact O-N 2.99Å; I3-F6 PolarHBondContact O-N 3.31Å; I3-V7 PolarHBondContact O-N 3.38Å
4L50Low48.7Very low137 Ų137115.9 Ų115.972%0.71767%0.665SS**Hα-helixtrans-68.9-28.5177.4-84.9147.2000113.2A8L4-A8 PolarHBondContact O-N 3.44Å
5L50.3Low48.6Very low126 Ų126115 Ų11566%0.6667%0.669SS**Hα-helixtrans-73.8-30.2176.2-83.5154.6000112.7I3 A9I3-L5 VanDerWaalsContact C-N 3.33Å; I3-L5 PolarHBondContact O-N 2.99Å; L5-A9 WeakPolarHBondContact O-CB 3.48Å; L5-A9 PolarHBondContact O-N 3.34Å; L5-A9 VanDerWaalsContact O-N 3.11Å
6F48.4Very low48.5Very low166 Ų166114.9 Ų114.973%0.72868%0.675SS**Hα-helixtrans-75.3-33.4175.3-91.1-83.9000112.8I3 A9 A10I3-F6 PolarHBondContact O-N 3.31Å; F6-A9 PolarHBondContact O-N 3.22Å; F6-A10 WeakPolarHBondContact O-CB 3.35Å; F6-A10 PolarHBondContact O-N 3.17Å
7V52.1Low49.2Very low82 Ų82113.4 Ų113.450%0.49768%0.679SS.*Hα-helixtrans-71.5-37.3175.6177.10000111.2I3 A10 L11I3-V7 PolarHBondContact O-N 3.38Å; V7-A10 PolarHBondContact O-N 3.43Å; V7-L11 HydrophobicContact CG1-CD1 3.86Å; V7-L11 WeakPolarHBondContact O-CB 3.5Å; V7-L11 WeakPolarHBondContact O-CD1 3.47Å; V7-L11 PolarHBondContact O-N 2.68Å
8A51.6Low50.2Low59 Ų59113.2 Ų113.249%0.48868%0.684SS.*Hα-helixtrans-67.8-36.4173.500000112.8L4 A12L4-A8 PolarHBondContact O-N 3.44Å; A8-A12 WeakPolarHBondContact O-CB 3.29Å; A8-A12 PolarHBondContact O-N 2.92Å
9A49.6Very low51.7Low57 Ų57113.5 Ų113.547%0.47168%0.68SS.*Hα-helixtrans-72.4-33.4175.300000112.8L5 F6 V13L5-A9 WeakPolarHBondContact O-CB 3.48Å; L5-A9 PolarHBondContact O-N 3.34Å; L5-A9 VanDerWaalsContact O-N 3.11Å; F6-A9 PolarHBondContact O-N 3.22Å; A9-V13 WeakPolarHBondContact O-CG2 3.32Å
10A48.4Very low53.7Low69 Ų69109.8 Ų109.857%0.5766%0.66SS**Hα-helixtrans-73.4-31.2174.800000113F6 V7F6-A10 WeakPolarHBondContact O-CB 3.35Å; F6-A10 PolarHBondContact O-N 3.17Å; V7-A10 PolarHBondContact O-N 3.43Å
11L45Very low55.6Low122 Ų122110.1 Ų110.164%0.63966%0.657SS**Hα-helixtrans-77.4-26.5173.9-82.8156000113.1V7 V13 A14V7-L11 HydrophobicContact CG1-CD1 3.86Å; V7-L11 WeakPolarHBondContact O-CB 3.5Å; V7-L11 WeakPolarHBondContact O-CD1 3.47Å; V7-L11 PolarHBondContact O-N 2.68Å; L11-V13 VanDerWaalsContact C-N 3.31Å; L11-V13 PolarHBondContact O-N 3.3Å; L11-A14 PolarHBondContact O-N 2.9Å
12A44.2Very low57.7Low75 Ų75104.5 Ų104.562%0.6263%0.629SS**Hα-helixtrans-73.7-20.2175.400000113.6A8A8-A12 WeakPolarHBondContact O-CB 3.29Å; A8-A12 PolarHBondContact O-N 2.92Å
13V46.1Very low59.9Low122 Ų12298.2 Ų98.274%0.73960%0.604SS**THydrogen-bonded Turntrans-87.9-7.1177.3-177.30000112.2A9 L11A9-V13 WeakPolarHBondContact O-CG2 3.32Å; L11-V13 VanDerWaalsContact C-N 3.31Å; L11-V13 PolarHBondContact O-N 3.3Å
14A46.6Very low62Low82 Ų8296.1 Ų96.168%0.67859%0.593SS**SBendtrans-98.72.6-177.700000115L11L11-A14 PolarHBondContact O-N 2.9Å
15S46.4Very low64.3Low103 Ų10392.6 Ų92.672%0.7257%0.573SS**  trans-120.128.9-180-162.80000113.6A17S15-A17 PolarHBondContact O-N 3.45Å; S15-A17 VanDerWaalsContact O-N 3.14Å
16C48.2Very low66.5Low113 Ų11386.8 Ų86.876%0.76454%0.543SS*.  trans-75.189.8149.2-69.70000105.6S18C16-S18 PolarHBondContact O-N 3.22Å
17A59.5Low68.9Low89 Ų8983.8 Ų83.874%0.73653%0.531SS*.  trans-50.9108.9167.200000106.8S15 I19S15-A17 PolarHBondContact O-N 3.45Å; S15-A17 VanDerWaalsContact O-N 3.14Å; A17-I19 PolarHBondContact O-N 2.92Å
18S67.9Low71Confident110 Ų11082.5 Ų82.577%0.76953%0.529SS*.  trans-62.7111.6178.151.40000106.7C16 S20C16-S18 PolarHBondContact O-N 3.22Å; S18-S20 PolarHBondContact O-N 3.35Å; S18-S20 VanDerWaalsContact O-N 3.14Å
19I79.2Confident73.2Confident119 Ų11980.3 Ų80.361%0.6151%0.508SS*.  trans-58.4119.2176.5-59.8177.6000107.1A17 D23 L24A17-I19 PolarHBondContact O-N 2.92Å; I19-D23 HydrophobicContact CG2-CB 3.58Å; I19-L24 HydrophobicContact CG2-CD2 3.67Å; I19-L24 HydrophobicContact CG2-CG 3.75Å
20S91.4Very high75.5Confident40 Ų4079 Ų7928%0.2849%0.491SS..  trans-72.2161.2179.480.70000110.8S18 E22 D23 L24S18-S20 PolarHBondContact O-N 3.35Å; S18-S20 VanDerWaalsContact O-N 3.14Å; S20-E22 PolarHBondContact O-N 3.26Å; S20-E22 PolarHBondContact OG-N 3.01Å; S20-D23 PolarHBondContact N-OD2 2.85Å; S20-D23 WeakPolarHBondContact O-CB 3.35Å; S20-D23 PolarHBondContact O-N 3.44Å; S20-D23 VanDerWaalsContact O-N 3.12Å; S20-D23 PolarHBondContact OG-N 2.66Å; S20-D23 PolarHBondContact OG-OD1 2.9Å; S20-D23 PolarHBondContact OG-OD2 3.08Å; S20-L24 PolarHBondContact O-N 2.68Å; S20-L24 VanDerWaalsContact O-N 3.15Å
21L92.1Very high77.8Confident116 Ų11681.5 Ų81.561%0.60750%0.495SS*.Hα-helixtrans-57-39.9172.1178.461.4000111.1D23 L24 E25L21-D23 VanDerWaalsContact C-N 3.29Å; L21-D23 PolarHBondContact O-N 2.9Å; L21-L24 WeakPolarHBondContact O-CB 3.47Å; L21-L24 PolarHBondContact O-N 2.86Å; L21-E25 HydrophobicContact CD1-CG 4.36Å; L21-E25 HydrophobicContact CG-CG 4.4Å; L21-E25 WeakPolarHBondContact O-CG 3.4Å; L21-E25 PolarHBondContact O-N 3.22Å
22E94.9Very high80.3Confident82 Ų8282.9 Ų82.938%0.38350%0.495SS..Hα-helixtrans-65-33.4178.4-66.6170.9164.400112S20 F26 L51 R54S20-E22 PolarHBondContact O-N 3.26Å; S20-E22 PolarHBondContact OG-N 3.01Å; E22-F26 VanDerWaalsContact O-CB 3.28Å; E22-F26 WeakPolarHBondContact O-CB 3.38Å; E22-F26 PolarHBondContact O-N 3.47Å; E22-L51 HydrophobicContact CB-CD2 3.83Å; E22-L51 HydrophobicContact CG-CD2 4Å; E22-R54 IonicContact OE1-NH1 3.67Å
23D94.5Very high82.7Confident51 Ų5181 Ų8127%0.27347%0.474SS..Hα-helixtrans-66-43.1173.6-57.1-15.2000111I19 S20 L21 H27 K47I19-D23 HydrophobicContact CG2-CB 3.58Å; S20-D23 PolarHBondContact N-OD2 2.85Å; S20-D23 WeakPolarHBondContact O-CB 3.35Å; S20-D23 PolarHBondContact O-N 3.44Å; S20-D23 VanDerWaalsContact O-N 3.12Å; S20-D23 PolarHBondContact OG-N 2.66Å; S20-D23 PolarHBondContact OG-OD1 2.9Å; S20-D23 PolarHBondContact OG-OD2 3.08Å; L21-D23 VanDerWaalsContact C-N 3.29Å; L21-D23 PolarHBondContact O-N 2.9Å; D23-H27 VanDerWaalsContact O-CB 3.3Å; D23-H27 WeakPolarHBondContact O-CB 3.38Å; D23-H27 PolarHBondContact O-N 3.21Å; D23-K47 WeakPolarHBondContact OD1-CE 3.2Å; D23-K47 IonicContact OD1-NZ 3.22Å; D23-K47 PolarHBondContact OD1-NZ 3.15Å
24L95.9Very high85.1Confident98 Ų9878 Ų7851%0.51347%0.467SS..Hα-helixtrans-65.4-45177.5-66.7173.9000111.3I19 S20 L21 H27 A28I19-L24 HydrophobicContact CG2-CD2 3.67Å; I19-L24 HydrophobicContact CG2-CG 3.75Å; S20-L24 PolarHBondContact O-N 2.68Å; S20-L24 VanDerWaalsContact O-N 3.15Å; L21-L24 WeakPolarHBondContact O-CB 3.47Å; L21-L24 PolarHBondContact O-N 2.86Å; L24-H27 PolarHBondContact O-N 3.09Å; L24-A28 WeakPolarHBondContact O-CB 3.49Å; L24-A28 PolarHBondContact O-N 3.44Å
25E97.3Very high87.4Confident63 Ų6377.2 Ų77.229%0.29445%0.447SS..Hα-helixtrans-65-44.1178.4-71.8177176.700111.8L21 H27 A28 W29 W50 R54L21-E25 HydrophobicContact CD1-CG 4.36Å; L21-E25 HydrophobicContact CG-CG 4.4Å; L21-E25 WeakPolarHBondContact O-CG 3.4Å; L21-E25 PolarHBondContact O-N 3.22Å; E25-H27 VanDerWaalsContact C-N 3.34Å; E25-H27 PolarHBondContact O-N 2.64Å; E25-A28 PolarHBondContact O-N 2.87Å; E25-W29 VanDerWaalsContact O-CB 3.31Å; E25-W29 WeakPolarHBondContact O-CB 3.23Å; E25-W29 PolarHBondContact O-N 2.95Å; E25-W50 HydrophobicContact CB-CH2 3.63Å; E25-W50 HydrophobicContact CB-CZ2 4.24Å; E25-R54 IonicContact OE1-NH2 2.92Å; E25-R54 PolarHBondContact OE1-NH2 3.3Å; E25-R54 VanDerWaalsContact OE1-NH2 3.09Å; E25-R54 IonicContact OE2-CZ 3.48Å; E25-R54 IonicContact OE2-NE 2.7Å; E25-R54 PolarHBondContact OE2-NE 2.89Å; E25-R54 IonicContact OE2-NH2 3.28Å; E25-R54 PolarHBondContact OE2-NH2 2.91Å
26F98Very high89.7Confident5 Ų578.4 Ų78.42%0.02245%0.45CS..Hα-helixtrans-62.5-42.5175.2-178.8-117.2000111.1E22 W29 K30 Y37 E43 K47 W50E22-F26 VanDerWaalsContact O-CB 3.28Å; E22-F26 WeakPolarHBondContact O-CB 3.38Å; E22-F26 PolarHBondContact O-N 3.47Å; F26-W29 HydrophobicContact CD2-CE3 4.09Å; F26-W29 AromaticContact CE2-CE3 3.97Å; F26-W29 HydrophobicContact CE2-CE3 3.97Å; F26-W29 HydrophobicContact CE2-CZ3 4.03Å; F26-W29 PolarHBondContact O-N 3.45Å; F26-K30 HydrophobicContact CD1-CD 4.25Å; F26-K30 HydrophobicContact CD1-CG 4.46Å; F26-K30 HydrophobicContact CE1-CD 3.68Å; F26-K30 HydrophobicContact CE1-CG 4.16Å; F26-K30 HydrophobicContact CE2-CG 4.2Å; F26-K30 HydrophobicContact CZ-CD 3.85Å; F26-K30 HydrophobicContact CZ-CG 4.03Å; F26-K30 WeakPolarHBondContact O-CG 3.42Å; F26-K30 PolarHBondContact O-N 2.86Å; F26-Y37 HydrophobicContact CE1-CE2 4.44Å; F26-Y37 AromaticContact CZ-CE2 3.85Å; F26-Y37 HydrophobicContact CZ-CE2 3.85Å; F26-E43 HydrophobicContact CE1-CG 4Å; F26-K47 HydrophobicContact CB-CG 4.47Å; F26-K47 HydrophobicContact CD1-CB 3.98Å; F26-K47 HydrophobicContact CD1-CD 3.77Å; F26-K47 HydrophobicContact CD1-CG 3.69Å; F26-K47 HydrophobicContact CD2-CB 4.48Å; F26-K47 HydrophobicContact CD2-CG 4.27Å; F26-K47 HydrophobicContact CE1-CB 3.59Å; F26-K47 HydrophobicContact CE1-CD 4.09Å; F26-K47 HydrophobicContact CE1-CG 3.87Å; F26-K47 HydrophobicContact CE2-CB 4.15Å; F26-K47 HydrophobicContact CE2-CG 4.43Å; F26-K47 HydrophobicContact CG-CB 4.4Å; F26-K47 HydrophobicContact CG-CD 4.32Å; F26-K47 HydrophobicContact CG-CG 3.89Å; F26-K47 HydrophobicContact CZ-CB 3.68Å; F26-K47 HydrophobicContact CZ-CG 4.23Å; F26-W50 HydrophobicContact CB-CD2 4.36Å; F26-W50 HydrophobicContact CB-CE3 4.1Å; F26-W50 HydrophobicContact CB-CH2 4.32Å; F26-W50 HydrophobicContact CB-CZ3 4.07Å; F26-W50 HydrophobicContact CD2-CB 3.95Å; F26-W50 AromaticContact CD2-CD1 3.9Å; F26-W50 AromaticContact CD2-CD2 3.61Å; F26-W50 HydrophobicContact CD2-CD2 3.61Å; F26-W50 HydrophobicContact CD2-CE3 4Å; F26-W50 AromaticContact CD2-CG 3.56Å; F26-W50 HydrophobicContact CD2-CG 3.56Å; F26-W50 HydrophobicContact CE2-CB 3.88Å; F26-W50 HydrophobicContact CE2-CD2 4.41Å; F26-W50 AromaticContact CE2-CG 3.89Å; F26-W50 HydrophobicContact CE2-CG 3.89Å; F26-W50 HydrophobicContact CG-CD2 4.43Å; F26-W50 HydrophobicContact CG-CE3 4.45Å
27H97.1Very high92Very high102 Ų10274.9 Ų74.947%0.47242%0.421SS..Hα-helixtrans-61.3-46.1176.1-173.178000112.1D23 L24 E25 W29 K30 L31D23-H27 VanDerWaalsContact O-CB 3.3Å; D23-H27 WeakPolarHBondContact O-CB 3.38Å; D23-H27 PolarHBondContact O-N 3.21Å; L24-H27 PolarHBondContact O-N 3.09Å; E25-H27 VanDerWaalsContact C-N 3.34Å; E25-H27 PolarHBondContact O-N 2.64Å; H27-W29 VanDerWaalsContact C-N 3.34Å; H27-W29 PolarHBondContact O-N 3.45Å; H27-K30 PolarHBondContact O-N 3.06Å; H27-L31 WeakPolarHBondContact O-CG 3.32Å; H27-L31 PolarHBondContact O-N 3.42Å
28A97.6Very high93.8Very high55 Ų5581.9 Ų81.946%0.45543%0.428SS..Hα-helixtrans-62.1-41.1176.100000112L24 E25 L31 K32L24-A28 WeakPolarHBondContact O-CB 3.49Å; L24-A28 PolarHBondContact O-N 3.44Å; E25-A28 PolarHBondContact O-N 2.87Å; A28-L31 PolarHBondContact O-N 2.91Å; A28-K32 WeakPolarHBondContact O-CB 3.31Å; A28-K32 PolarHBondContact O-N 3.45Å
29W98.2Very high95.2Very high14 Ų1479 Ų795%0.05341%0.408CS..Hα-helixtrans-62.1-44.5175.2177.391.8000111.7E25 F26 H27 L31 K32 F33 R35 W50 M75 T76 Y77 A79 D80E25-W29 VanDerWaalsContact O-CB 3.31Å; E25-W29 WeakPolarHBondContact O-CB 3.23Å; E25-W29 PolarHBondContact O-N 2.95Å; F26-W29 HydrophobicContact CD2-CE3 4.09Å; F26-W29 AromaticContact CE2-CE3 3.97Å; F26-W29 HydrophobicContact CE2-CE3 3.97Å; F26-W29 HydrophobicContact CE2-CZ3 4.03Å; F26-W29 PolarHBondContact O-N 3.45Å; H27-W29 VanDerWaalsContact C-N 3.34Å; H27-W29 PolarHBondContact O-N 3.45Å; W29-L31 VanDerWaalsContact C-N 3.33Å; W29-L31 PolarHBondContact O-N 3.42Å; W29-K32 WeakPolarHBondContact O-CB 3.29Å; W29-K32 PolarHBondContact O-N 2.61Å; W29-F33 AromaticContact CD1-CD2 3.61Å; W29-F33 AromaticContact CD1-CE2 3.47Å; W29-F33 VanDerWaalsContact CD1-CE2 3.47Å; W29-F33 HydrophobicContact CD2-CD2 4.06Å; W29-F33 AromaticContact CE2-CD2 3.61Å; W29-F33 HydrophobicContact CG-CD2 4.04Å; W29-F33 HydrophobicContact CG-CE2 4.31Å; W29-F33 HydrophobicContact CZ2-CD2 4.16Å; W29-F33 AromaticContact NE1-CD2 3.33Å; W29-F33 VanDerWaalsContact NE1-CD2 3.33Å; W29-F33 AromaticContact NE1-CE2 3.25Å; W29-F33 VanDerWaalsContact NE1-CE2 3.25Å; W29-F33 WeakPolarHBondContact O-CD2 3.31Å; W29-F33 PolarHBondContact O-N 2.69Å; W29-R35 HydrophobicContact CE3-CG 4.41Å; W29-R35 HydrophobicContact CH2-CG 3.67Å; W29-R35 HydrophobicContact CZ3-CB 4.17Å; W29-R35 HydrophobicContact CZ3-CG 3.61Å; W29-W50 HydrophobicContact CB-CZ2 4.24Å; W29-W50 AromaticContact CD1-NE1 3.49Å; W29-W50 AromaticContact CD2-CD1 3.59Å; W29-W50 AromaticContact CD2-NE1 3.29Å; W29-W50 VanDerWaalsContact CD2-NE1 3.29Å; W29-W50 AromaticContact CE2-CD1 3.78Å; W29-W50 AromaticContact CE2-NE1 3.69Å; W29-W50 AromaticContact CE3-CD1 3.76Å; W29-W50 AromaticContact CE3-NE1 3.81Å; W29-W50 AromaticContact CG-NE1 3.22Å; W29-W50 AromaticContact NE1-NE1 3.74Å; W29-M75 PolarHBondContact NE1-O 3.12Å; W29-M75 VanDerWaalsContact NE1-O 3.09Å; W29-T76 WeakPolarHBondContact CZ2-O 3.29Å; W29-T76 PolarHBondContact NE1-O 2.85Å; W29-Y77 WeakPolarHBondContact CZ2-O 3.44Å; W29-A79 HydrophobicContact CZ2-CB 3.99Å; W29-D80 HydrophobicContact CH2-CB 3.58Å; W29-D80 WeakPolarHBondContact CH2-OD1 3.19Å; W29-D80 HydrophobicContact CZ2-CB 4.42Å; W29-D80 HydrophobicContact CZ3-CB 3.95Å
30K98.1Very high96Very high28 Ų2878.9 Ų78.912%0.12242%0.415CS..Hα-helixtrans-60-43.3175.1-69.9-167-48.1176.70112F26 H27 F33 G34 R35 Y37 E43F26-K30 HydrophobicContact CD1-CD 4.25Å; F26-K30 HydrophobicContact CD1-CG 4.46Å; F26-K30 HydrophobicContact CE1-CD 3.68Å; F26-K30 HydrophobicContact CE1-CG 4.16Å; F26-K30 HydrophobicContact CE2-CG 4.2Å; F26-K30 HydrophobicContact CZ-CD 3.85Å; F26-K30 HydrophobicContact CZ-CG 4.03Å; F26-K30 WeakPolarHBondContact O-CG 3.42Å; F26-K30 PolarHBondContact O-N 2.86Å; H27-K30 PolarHBondContact O-N 3.06Å; K30-F33 CarbonylContact O-C 3.6Å; K30-F33 PolarHBondContact O-N 2.76Å; K30-G34 CarbonylContact O-C 3.43Å; K30-G34 WeakPolarHBondContact O-CA 3.33Å; K30-G34 PolarHBondContact O-N 3.37Å; K30-R35 HydrophobicContact CB-CB 4.03Å; K30-R35 HydrophobicContact CG-CB 4Å; K30-R35 PolarHBondContact O-N 3.37Å; K30-Y37 HydrophobicContact CD-CD2 4.29Å; K30-Y37 HydrophobicContact CD-CE2 3.58Å; K30-Y37 HydrophobicContact CG-CE2 4.33Å; K30-E43 IonicContact NZ-OE1 2.65Å; K30-E43 PolarHBondContact NZ-OE1 2.9Å; K30-E43 IonicContact NZ-OE2 2.76Å; K30-E43 PolarHBondContact NZ-OE2 3.5Å
31L96.9Very high96.3Very high122 Ų12281.4 Ų81.464%0.63943%0.433SS*.Hα-helixtrans-63-44.3176.8-70.5174.9000111.5H27 A28 W29 F33 G34H27-L31 WeakPolarHBondContact O-CG 3.32Å; H27-L31 PolarHBondContact O-N 3.42Å; A28-L31 PolarHBondContact O-N 2.91Å; W29-L31 VanDerWaalsContact C-N 3.33Å; W29-L31 PolarHBondContact O-N 3.42Å; L31-F33 VanDerWaalsContact C-N 3.3Å; L31-F33 PolarHBondContact O-N 3.36Å; L31-G34 PolarHBondContact O-N 3.48Å
32K96.1Very high96.5Very high151 Ų15178.1 Ų78.166%0.65741%0.414SS*.Hα-helixtrans-57.5-41.7178179.3-179.3174.3-1750112.2A28 W29A28-K32 WeakPolarHBondContact O-CB 3.31Å; A28-K32 PolarHBondContact O-N 3.45Å; W29-K32 WeakPolarHBondContact O-CB 3.29Å; W29-K32 PolarHBondContact O-N 2.61Å
33F95.4Very high96.7Very high37 Ų3777.4 Ų77.416%0.16241%0.411CS..THydrogen-bonded Turntrans-104.410.5-175.4-65.3-70.7000114.1W29 K30 L31 R35 M75 Y77W29-F33 AromaticContact CD1-CD2 3.61Å; W29-F33 AromaticContact CD1-CE2 3.47Å; W29-F33 VanDerWaalsContact CD1-CE2 3.47Å; W29-F33 HydrophobicContact CD2-CD2 4.06Å; W29-F33 AromaticContact CE2-CD2 3.61Å; W29-F33 HydrophobicContact CG-CD2 4.04Å; W29-F33 HydrophobicContact CG-CE2 4.31Å; W29-F33 HydrophobicContact CZ2-CD2 4.16Å; W29-F33 AromaticContact NE1-CD2 3.33Å; W29-F33 VanDerWaalsContact NE1-CD2 3.33Å; W29-F33 AromaticContact NE1-CE2 3.25Å; W29-F33 VanDerWaalsContact NE1-CE2 3.25Å; W29-F33 WeakPolarHBondContact O-CD2 3.31Å; W29-F33 PolarHBondContact O-N 2.69Å; K30-F33 CarbonylContact O-C 3.6Å; K30-F33 PolarHBondContact O-N 2.76Å; L31-F33 VanDerWaalsContact C-N 3.3Å; L31-F33 PolarHBondContact O-N 3.36Å; F33-R35 HydrophobicContact CB-CG 4.03Å; F33-R35 PolarHBondContact O-N 2.9Å; F33-M75 WeakPolarHBondContact CE2-O 3.37Å; F33-Y77 VanDerWaalsContact CD1-CB 3.48Å
34G95.4Very high96.8Very high59 Ų5977.9 Ų77.961%0.60842%0.422SS*.THydrogen-bonded Turntrans59.830.7179.200000114.3K30 L31K30-G34 CarbonylContact O-C 3.43Å; K30-G34 WeakPolarHBondContact O-CA 3.33Å; K30-G34 PolarHBondContact O-N 3.37Å; L31-G34 PolarHBondContact O-N 3.48Å
35R95.4Very high96.9Very high64 Ų6478.8 Ų78.824%0.24242%0.423CS..  trans-76.2128.8-173.9-66.7-71-167.1-165.913.5112W29 K30 F33 Y77 D80W29-R35 HydrophobicContact CE3-CG 4.41Å; W29-R35 HydrophobicContact CH2-CG 3.67Å; W29-R35 HydrophobicContact CZ3-CB 4.17Å; W29-R35 HydrophobicContact CZ3-CG 3.61Å; K30-R35 HydrophobicContact CB-CB 4.03Å; K30-R35 HydrophobicContact CG-CB 4Å; K30-R35 PolarHBondContact O-N 3.37Å; F33-R35 HydrophobicContact CB-CG 4.03Å; F33-R35 PolarHBondContact O-N 2.9Å; R35-Y77 PolarHBondContact NH2-O 3.27Å; R35-D80 IonicContact CZ-OD1 3.76Å; R35-D80 IonicContact NE-OD1 4Å; R35-D80 IonicContact NE-OD2 3.56Å; R35-D80 IonicContact NH2-OD1 2.72Å
36T95.3Very high96.9Very high129 Ų12977.8 Ų77.879%0.79142%0.417SS*.  trans-133.3147.9172.958.10000109.3
37Y96.6Very high96.9Very high38 Ų3880 Ų8015%0.14943%0.427CS..  trans-126152-176.7-55.3-65.2000110.1F26 K30 S39 E42 E43 R46 D80F26-Y37 HydrophobicContact CE1-CE2 4.44Å; F26-Y37 AromaticContact CZ-CE2 3.85Å; F26-Y37 HydrophobicContact CZ-CE2 3.85Å; K30-Y37 HydrophobicContact CD-CD2 4.29Å; K30-Y37 HydrophobicContact CD-CE2 3.58Å; K30-Y37 HydrophobicContact CG-CE2 4.33Å; Y37-S39 VanDerWaalsContact C-N 3.29Å; Y37-S39 PolarHBondContact O-N 3.11Å; Y37-E42 HydrophobicContact CD1-CG 4.27Å; Y37-E43 HydrophobicContact CD2-CB 3.54Å; Y37-E43 HydrophobicContact CD2-CG 3.57Å; Y37-E43 HydrophobicContact CE2-CB 4.31Å; Y37-E43 HydrophobicContact CE2-CG 3.95Å; Y37-E43 HydrophobicContact CG-CB 4.1Å; Y37-R46 HydrophobicContact CD1-CB 4.27Å; Y37-R46 HydrophobicContact CD1-CG 3.77Å; Y37-R46 HydrophobicContact CE1-CB 3.67Å; Y37-R46 HydrophobicContact CE1-CG 3.44Å; Y37-R46 VanDerWaalsContact CE1-CG 3.44Å; Y37-R46 HydrophobicContact CE2-CB 4.18Å; Y37-D80 VanDerWaalsContact CE1-OD2 3.32Å; Y37-D80 WeakPolarHBondContact CE1-OD2 3.45Å; Y37-D80 PolarHBondContact OH-OD2 2.95Å
38R96.2Very high97Very high237 Ų23780.2 Ų80.289%0.89443%0.428SS*.SBendtrans-73.4-23.6-173.3-56.5174.3178.4168.40.8112.5E42R38-E42 WeakPolarHBondContact CA-OE2 3.46Å; R38-E42 WeakPolarHBondContact CB-OE2 3.49Å; R38-E42 WeakPolarHBondContact CG-OE2 3.36Å; R38-E42 PolarHBondContact N-OE2 3.02Å
39S97.4Very high97Very high50 Ų5078 Ų7835%0.3541%0.408SS..SBendtrans-151.3158.3-179.470.40000112.4Y37 S41 E42 E43Y37-S39 VanDerWaalsContact C-N 3.29Å; Y37-S39 PolarHBondContact O-N 3.11Å; S39-S41 PolarHBondContact O-N 3.42Å; S39-E42 PolarHBondContact O-N 3.06Å; S39-E42 PolarHBondContact OG-N 2.88Å; S39-E42 VanDerWaalsContact OG-N 3.11Å; S39-E43 PolarHBondContact O-N 2.83Å
40P96.6Very high97Very high116 Ų11677.5 Ų77.575%0.75341%0.406SS*.Hα-helixtrans-58-30.6171.4-25.735000113.6A44P40-A44 WeakPolarHBondContact O-CB 3.42Å; P40-A44 PolarHBondContact O-N 2.82Å
41S97.6Very high97.1Very high93 Ų9377.8 Ų77.865%0.6541%0.409SS*.Hα-helixtrans-69.4-42177.1-170.80000112S39 A44 Q45S39-S41 PolarHBondContact O-N 3.42Å; S41-A44 PolarHBondContact O-N 3.37Å; S41-Q45 PolarHBondContact O-N 3.32Å; S41-Q45 VanDerWaalsContact O-N 3.09Å
42E97.2Very high97.1Very high47 Ų4776.2 Ų76.222%0.2240%0.401CS..Hα-helixtrans-63.9-44.6174.4-178.7-176.2-17700110.4Y37 R38 S39 A44 Q45 R46Y37-E42 HydrophobicContact CD1-CG 4.27Å; R38-E42 WeakPolarHBondContact CA-OE2 3.46Å; R38-E42 WeakPolarHBondContact CB-OE2 3.49Å; R38-E42 WeakPolarHBondContact CG-OE2 3.36Å; R38-E42 PolarHBondContact N-OE2 3.02Å; S39-E42 PolarHBondContact O-N 3.06Å; S39-E42 PolarHBondContact OG-N 2.88Å; S39-E42 VanDerWaalsContact OG-N 3.11Å; E42-A44 VanDerWaalsContact C-N 3.31Å; E42-A44 PolarHBondContact O-N 3.45Å; E42-Q45 PolarHBondContact O-N 2.65Å; E42-Q45 VanDerWaalsContact O-N 3.17Å; E42-R46 HydrophobicContact CG-CG 4.14Å; E42-R46 WeakPolarHBondContact O-CB 3.49Å; E42-R46 WeakPolarHBondContact O-CG 3.23Å; E42-R46 PolarHBondContact O-N 2.65Å
43E97.7Very high97.3Very high67 Ų6769.7 Ų69.731%0.31337%0.374SS..Hα-helixtrans-59.1-42.7176.7-179.1165.8157.200112.1F26 K30 Y37 S39 Q45 R46 K47F26-E43 HydrophobicContact CE1-CG 4Å; K30-E43 IonicContact NZ-OE1 2.65Å; K30-E43 PolarHBondContact NZ-OE1 2.9Å; K30-E43 IonicContact NZ-OE2 2.76Å; K30-E43 PolarHBondContact NZ-OE2 3.5Å; Y37-E43 HydrophobicContact CD2-CB 3.54Å; Y37-E43 HydrophobicContact CD2-CG 3.57Å; Y37-E43 HydrophobicContact CE2-CB 4.31Å; Y37-E43 HydrophobicContact CE2-CG 3.95Å; Y37-E43 HydrophobicContact CG-CB 4.1Å; S39-E43 PolarHBondContact O-N 2.83Å; E43-Q45 VanDerWaalsContact C-N 3.34Å; E43-Q45 PolarHBondContact O-N 2.99Å; E43-R46 PolarHBondContact O-N 2.89Å; E43-K47 VanDerWaalsContact O-CB 3.22Å; E43-K47 WeakPolarHBondContact O-CB 3.5Å; E43-K47 PolarHBondContact O-N 3.49Å
44A96.9Very high97.4Very high60 Ų6070 Ų7050%0.49637%0.374SS..Hα-helixtrans-62.6-40.7176.700000112.1P40 S41 E42 Q48P40-A44 WeakPolarHBondContact O-CB 3.42Å; P40-A44 PolarHBondContact O-N 2.82Å; S41-A44 PolarHBondContact O-N 3.37Å; E42-A44 VanDerWaalsContact C-N 3.31Å; E42-A44 PolarHBondContact O-N 3.45Å; A44-Q48 PolarHBondContact O-N 3.42Å
45Q97.9Very high97.5Very high118 Ų11874.2 Ų74.255%0.55138%0.375SS*.Hα-helixtrans-65-49.1175.2-177.9-177.9-3.600111.5S41 E42 E43 K47 Q48 I49S41-Q45 PolarHBondContact O-N 3.32Å; S41-Q45 VanDerWaalsContact O-N 3.09Å; E42-Q45 PolarHBondContact O-N 2.65Å; E42-Q45 VanDerWaalsContact O-N 3.17Å; E43-Q45 VanDerWaalsContact C-N 3.34Å; E43-Q45 PolarHBondContact O-N 2.99Å; Q45-K47 VanDerWaalsContact C-N 3.29Å; Q45-K47 PolarHBondContact O-N 3.19Å; Q45-Q48 WeakPolarHBondContact O-CB 3.25Å; Q45-Q48 PolarHBondContact O-N 3Å; Q45-I49 HydrophobicContact CG-CD1 4.21Å; Q45-I49 WeakPolarHBondContact O-CG1 3.28Å; Q45-I49 PolarHBondContact O-N 3.33Å
46R98.1Very high97.7Very high42 Ų4273.9 Ų73.916%0.15838%0.378CS..Hα-helixtrans-60-39.8178.6-70-74.5-178.1-159.90.6111.9Y37 E42 E43 I49 W50 D80 E85Y37-R46 HydrophobicContact CD1-CB 4.27Å; Y37-R46 HydrophobicContact CD1-CG 3.77Å; Y37-R46 HydrophobicContact CE1-CB 3.67Å; Y37-R46 HydrophobicContact CE1-CG 3.44Å; Y37-R46 VanDerWaalsContact CE1-CG 3.44Å; Y37-R46 HydrophobicContact CE2-CB 4.18Å; E42-R46 HydrophobicContact CG-CG 4.14Å; E42-R46 WeakPolarHBondContact O-CB 3.49Å; E42-R46 WeakPolarHBondContact O-CG 3.23Å; E42-R46 PolarHBondContact O-N 2.65Å; E43-R46 PolarHBondContact O-N 2.89Å; R46-I49 PolarHBondContact O-N 2.87Å; R46-W50 WeakPolarHBondContact O-CB 3.39Å; R46-W50 PolarHBondContact O-N 3.14Å; R46-D80 HydrophobicContact CB-CB 4.22Å; R46-D80 VanDerWaalsContact CD-O 3.22Å; R46-D80 WeakPolarHBondContact CD-O 3.24Å; R46-D80 PolarHBondContact NH1-O 2.83Å; R46-E85 IonicContact CZ-OE1 2.75Å; R46-E85 IonicContact CZ-OE2 3.1Å; R46-E85 VanDerWaalsContact NH1-CD 3.33Å; R46-E85 IonicContact NH1-OE1 3.83Å; R46-E85 PolarHBondContact NH1-OE1 3.3Å; R46-E85 IonicContact NH1-OE2 3.91Å; R46-E85 PolarHBondContact NH1-OE2 2.9Å; R46-E85 IonicContact NH2-OE1 2.72Å; R46-E85 PolarHBondContact NH2-OE1 2.85Å; R46-E85 IonicContact NH2-OE2 3.31Å
47K98.1Very high97.8Very high52 Ų5268.3 Ų68.323%0.22634%0.344CS..Hα-helixtrans-62.5-41.8172.2-173.7178.2174.9-167.60112.3D23 F26 E43 Q45 I49 W50 L51D23-K47 WeakPolarHBondContact OD1-CE 3.2Å; D23-K47 IonicContact OD1-NZ 3.22Å; D23-K47 PolarHBondContact OD1-NZ 3.15Å; F26-K47 HydrophobicContact CB-CG 4.47Å; F26-K47 HydrophobicContact CD1-CB 3.98Å; F26-K47 HydrophobicContact CD1-CD 3.77Å; F26-K47 HydrophobicContact CD1-CG 3.69Å; F26-K47 HydrophobicContact CD2-CB 4.48Å; F26-K47 HydrophobicContact CD2-CG 4.27Å; F26-K47 HydrophobicContact CE1-CB 3.59Å; F26-K47 HydrophobicContact CE1-CD 4.09Å; F26-K47 HydrophobicContact CE1-CG 3.87Å; F26-K47 HydrophobicContact CE2-CB 4.15Å; F26-K47 HydrophobicContact CE2-CG 4.43Å; F26-K47 HydrophobicContact CG-CB 4.4Å; F26-K47 HydrophobicContact CG-CD 4.32Å; F26-K47 HydrophobicContact CG-CG 3.89Å; F26-K47 HydrophobicContact CZ-CB 3.68Å; F26-K47 HydrophobicContact CZ-CG 4.23Å; E43-K47 VanDerWaalsContact O-CB 3.22Å; E43-K47 WeakPolarHBondContact O-CB 3.5Å; E43-K47 PolarHBondContact O-N 3.49Å; Q45-K47 VanDerWaalsContact C-N 3.29Å; Q45-K47 PolarHBondContact O-N 3.19Å; K47-I49 VanDerWaalsContact C-N 3.33Å; K47-I49 PolarHBondContact O-N 3.28Å; K47-W50 WeakPolarHBondContact O-CB 3.28Å; K47-W50 PolarHBondContact O-N 3.03Å; K47-L51 HydrophobicContact CG-CD1 4.35Å; K47-L51 VanDerWaalsContact O-CG 3.29Å; K47-L51 WeakPolarHBondContact O-CG 3.38Å; K47-L51 PolarHBondContact O-N 3.5Å
48Q98.1Very high97.9Very high105 Ų10570.4 Ų70.449%0.49136%0.357SS..Hα-helixtrans-63.4-40.8178.1-172.958.760.400111.9A44 Q45 L51 N52A44-Q48 PolarHBondContact O-N 3.42Å; Q45-Q48 WeakPolarHBondContact O-CB 3.25Å; Q45-Q48 PolarHBondContact O-N 3Å; Q48-L51 PolarHBondContact O-N 3.06Å; Q48-N52 PolarHBondContact NE2-OD1 3.37Å; Q48-N52 VanDerWaalsContact O-CG 3.25Å; Q48-N52 PolarHBondContact O-N 3.03Å; Q48-N52 VanDerWaalsContact O-N 3.09Å; Q48-N52 PolarHBondContact O-ND2 3.12Å; Q48-N52 PolarHBondContact O-OD1 2.92Å
49I98.5Very high98Very high8 Ų862.8 Ų62.84%0.04134%0.337CS..Hα-helixtrans-62.9-46.1173.8-63.2162.4000110.2Q45 R46 K47 L51 N52 N53 M81 E82Q45-I49 HydrophobicContact CG-CD1 4.21Å; Q45-I49 WeakPolarHBondContact O-CG1 3.28Å; Q45-I49 PolarHBondContact O-N 3.33Å; R46-I49 PolarHBondContact O-N 2.87Å; K47-I49 VanDerWaalsContact C-N 3.33Å; K47-I49 PolarHBondContact O-N 3.28Å; I49-L51 VanDerWaalsContact C-N 3.31Å; I49-L51 PolarHBondContact O-N 2.88Å; I49-N52 WeakPolarHBondContact O-CB 3.34Å; I49-N52 PolarHBondContact O-N 3.45Å; I49-N52 VanDerWaalsContact O-N 3.08Å; I49-N53 PolarHBondContact O-N 2.97Å; I49-M81 WeakPolarHBondContact CG2-O 3.41Å; I49-E82 HydrophobicContact CB-CG 4.44Å; I49-E82 HydrophobicContact CD1-CG 3.72Å; I49-E82 HydrophobicContact CG1-CG 3.66Å; I49-E82 HydrophobicContact CG2-CG 3.92Å
50W98.6Very high98.1Very high5 Ų561 Ų612%0.01932%0.323CS..Hα-helixtrans-57.6-41.3175.7-177.298.6000112.8E25 F26 W29 R46 K47 N52 N53 R54 M75 A79 D80E25-W50 HydrophobicContact CB-CH2 3.63Å; E25-W50 HydrophobicContact CB-CZ2 4.24Å; F26-W50 HydrophobicContact CB-CD2 4.36Å; F26-W50 HydrophobicContact CB-CE3 4.1Å; F26-W50 HydrophobicContact CB-CH2 4.32Å; F26-W50 HydrophobicContact CB-CZ3 4.07Å; F26-W50 HydrophobicContact CD2-CB 3.95Å; F26-W50 AromaticContact CD2-CD1 3.9Å; F26-W50 AromaticContact CD2-CD2 3.61Å; F26-W50 HydrophobicContact CD2-CD2 3.61Å; F26-W50 HydrophobicContact CD2-CE3 4Å; F26-W50 AromaticContact CD2-CG 3.56Å; F26-W50 HydrophobicContact CD2-CG 3.56Å; F26-W50 HydrophobicContact CE2-CB 3.88Å; F26-W50 HydrophobicContact CE2-CD2 4.41Å; F26-W50 AromaticContact CE2-CG 3.89Å; F26-W50 HydrophobicContact CE2-CG 3.89Å; F26-W50 HydrophobicContact CG-CD2 4.43Å; F26-W50 HydrophobicContact CG-CE3 4.45Å; W29-W50 HydrophobicContact CB-CZ2 4.24Å; W29-W50 AromaticContact CD1-NE1 3.49Å; W29-W50 AromaticContact CD2-CD1 3.59Å; W29-W50 AromaticContact CD2-NE1 3.29Å; W29-W50 VanDerWaalsContact CD2-NE1 3.29Å; W29-W50 AromaticContact CE2-CD1 3.78Å; W29-W50 AromaticContact CE2-NE1 3.69Å; W29-W50 AromaticContact CE3-CD1 3.76Å; W29-W50 AromaticContact CE3-NE1 3.81Å; W29-W50 AromaticContact CG-NE1 3.22Å; W29-W50 AromaticContact NE1-NE1 3.74Å; R46-W50 WeakPolarHBondContact O-CB 3.39Å; R46-W50 PolarHBondContact O-N 3.14Å; K47-W50 WeakPolarHBondContact O-CB 3.28Å; K47-W50 PolarHBondContact O-N 3.03Å; W50-N52 VanDerWaalsContact C-N 3.34Å; W50-N52 PolarHBondContact O-N 2.86Å; W50-N53 PolarHBondContact O-N 3.14Å; W50-R54 HydrophobicContact CZ3-CB 4.47Å; W50-R54 VanDerWaalsContact O-CB 3.31Å; W50-R54 WeakPolarHBondContact O-CB 3.49Å; W50-R54 PolarHBondContact O-N 3.45Å; W50-M75 VanDerWaalsContact CD1-CE 3.48Å; W50-M75 HydrophobicContact CD2-CE 3.65Å; W50-M75 HydrophobicContact CE3-CE 4.49Å; W50-M75 HydrophobicContact CG-CE 3.72Å; W50-M75 HydrophobicContact CZ2-CE 3.94Å; W50-M75 HydrophobicContact CZ2-CG 4.43Å; W50-M75 VanDerWaalsContact O-CE 3.26Å; W50-M75 WeakPolarHBondContact O-CE 3.41Å; W50-A79 VanDerWaalsContact CA-O 3.23Å; W50-A79 WeakPolarHBondContact CA-O 3.32Å; W50-D80 HydrophobicContact CB-CB 4.46Å
51L98.5Very high98.2Very high34 Ų3456.5 Ų56.518%0.17829%0.292CS..Hα-helixtrans-64.9-37.7175.1-70169.8000112.3E22 K47 Q48 I49 R54 K55E22-L51 HydrophobicContact CB-CD2 3.83Å; E22-L51 HydrophobicContact CG-CD2 4Å; K47-L51 HydrophobicContact CG-CD1 4.35Å; K47-L51 VanDerWaalsContact O-CG 3.29Å; K47-L51 WeakPolarHBondContact O-CG 3.38Å; K47-L51 PolarHBondContact O-N 3.5Å; Q48-L51 PolarHBondContact O-N 3.06Å; I49-L51 VanDerWaalsContact C-N 3.31Å; I49-L51 PolarHBondContact O-N 2.88Å; L51-R54 WeakPolarHBondContact O-CB 3.43Å; L51-R54 PolarHBondContact O-N 3.22Å; L51-K55 PolarHBondContact O-N 3.01Å
52N98.3Very high98.3Very high89 Ų8957 Ų5748%0.47629%0.287SS..Hα-helixtrans-65.9-46.1176.3-66.1-19.2000111.1Q48 I49 W50 R54 K55 L56Q48-N52 PolarHBondContact NE2-OD1 3.37Å; Q48-N52 VanDerWaalsContact O-CG 3.25Å; Q48-N52 PolarHBondContact O-N 3.03Å; Q48-N52 VanDerWaalsContact O-N 3.09Å; Q48-N52 PolarHBondContact O-ND2 3.12Å; Q48-N52 PolarHBondContact O-OD1 2.92Å; I49-N52 WeakPolarHBondContact O-CB 3.34Å; I49-N52 PolarHBondContact O-N 3.45Å; I49-N52 VanDerWaalsContact O-N 3.08Å; W50-N52 VanDerWaalsContact C-N 3.34Å; W50-N52 PolarHBondContact O-N 2.86Å; N52-R54 VanDerWaalsContact C-N 3.33Å; N52-R54 PolarHBondContact O-N 3.36Å; N52-K55 WeakPolarHBondContact O-CB 3.46Å; N52-K55 PolarHBondContact O-N 3.14Å; N52-L56 PolarHBondContact O-N 3.49Å; N52-L56 VanDerWaalsContact O-N 3.12Å
53N98.6Very high98.3Very high14 Ų1457.8 Ų57.88%0.07529%0.291CS..Hα-helixtrans-64.6-37.2175.6-75.1-25.2000111.7I49 W50 K55 L56 V57 M75 A79 M81 L263I49-N53 PolarHBondContact O-N 2.97Å; W50-N53 PolarHBondContact O-N 3.14Å; N53-K55 VanDerWaalsContact C-N 3.34Å; N53-K55 PolarHBondContact O-N 2.76Å; N53-L56 WeakPolarHBondContact O-CB 3.49Å; N53-L56 PolarHBondContact O-N 2.89Å; N53-L56 VanDerWaalsContact O-N 3.17Å; N53-V57 WeakPolarHBondContact O-CG2 3.36Å; N53-V57 PolarHBondContact O-N 2.76Å; N53-M75 HydrophobicContact CB-CE 4.36Å; N53-A79 PolarHBondContact ND2-O 3.36Å; N53-M81 PolarHBondContact ND2-O 3.48Å; N53-L263 HydrophobicContact CB-CD1 4.01Å; N53-L263 HydrophobicContact CB-CD2 4.48Å
54R98.4Very high98.4Very high43 Ų4355.3 Ų55.316%0.16228%0.282CS..Hα-helixtrans-58.9-44.5172.7-175.7-178.3-179.7-92.33112.1E22 E25 W50 L51 N52 L56 V57 L58 M75E22-R54 IonicContact OE1-NH1 3.67Å; E25-R54 IonicContact OE1-NH2 2.92Å; E25-R54 PolarHBondContact OE1-NH2 3.3Å; E25-R54 VanDerWaalsContact OE1-NH2 3.09Å; E25-R54 IonicContact OE2-CZ 3.48Å; E25-R54 IonicContact OE2-NE 2.7Å; E25-R54 PolarHBondContact OE2-NE 2.89Å; E25-R54 IonicContact OE2-NH2 3.28Å; E25-R54 PolarHBondContact OE2-NH2 2.91Å; W50-R54 HydrophobicContact CZ3-CB 4.47Å; W50-R54 VanDerWaalsContact O-CB 3.31Å; W50-R54 WeakPolarHBondContact O-CB 3.49Å; W50-R54 PolarHBondContact O-N 3.45Å; L51-R54 WeakPolarHBondContact O-CB 3.43Å; L51-R54 PolarHBondContact O-N 3.22Å; N52-R54 VanDerWaalsContact C-N 3.33Å; N52-R54 PolarHBondContact O-N 3.36Å; R54-L56 VanDerWaalsContact C-N 3.3Å; R54-L56 PolarHBondContact O-N 3.35Å; R54-V57 PolarHBondContact O-N 3.44Å; R54-L58 HydrophobicContact CG-CD1 4.22Å; R54-L58 HydrophobicContact CG-CG 4.48Å; R54-L58 WeakPolarHBondContact O-CG 3.11Å; R54-L58 PolarHBondContact O-N 3.05Å; R54-M75 WeakPolarHBondContact CA-SD 3.24Å; R54-M75 HydrophobicContact CB-CE 3.74Å; R54-M75 HydrophobicContact CB-SD 3.9Å; R54-M75 HydrophobicContact CG-SD 4.39Å
55K98.4Very high98.4Very high147 Ų14757.4 Ų57.464%0.63929%0.285SS*.Hα-helixtrans-60.6-42.3176.3-175.2-179.9177.5-177.50111.2L51 N52 N53 L58 V59L51-K55 PolarHBondContact O-N 3.01Å; N52-K55 WeakPolarHBondContact O-CB 3.46Å; N52-K55 PolarHBondContact O-N 3.14Å; N53-K55 VanDerWaalsContact C-N 3.34Å; N53-K55 PolarHBondContact O-N 2.76Å; K55-L58 PolarHBondContact O-N 3.39Å; K55-V59 WeakPolarHBondContact O-CG2 3.23Å; K55-V59 PolarHBondContact O-N 3.29Å
56L98.3Very high98.4Very high58 Ų5859 Ų5930%0.30429%0.292SS..Hα-helixtrans-60.8-48.5175.5-174.4157.3000111N52 N53 R54 L58 V59 H60 L73 S259 L263N52-L56 PolarHBondContact O-N 3.49Å; N52-L56 VanDerWaalsContact O-N 3.12Å; N53-L56 WeakPolarHBondContact O-CB 3.49Å; N53-L56 PolarHBondContact O-N 2.89Å; N53-L56 VanDerWaalsContact O-N 3.17Å; R54-L56 VanDerWaalsContact C-N 3.3Å; R54-L56 PolarHBondContact O-N 3.35Å; L56-L58 PolarHBondContact O-N 2.83Å; L56-V59 PolarHBondContact O-N 2.8Å; L56-H60 VanDerWaalsContact O-CB 3.31Å; L56-H60 WeakPolarHBondContact O-CB 3.36Å; L56-H60 PolarHBondContact O-N 3.37Å; L56-L73 HydrophobicContact CD2-CD1 3.22Å; L56-S259 WeakPolarHBondContact CD1-OG 3.26Å; L56-L263 HydrophobicContact CD2-CD1 3.99Å
57V98.8Very high98.4Very high12 Ų1260 Ų607%0.07332%0.316CS..Hα-helixtrans-56.5-47.5176.5168.70000111.6N53 R54 H60 N61 L73 M75 L263N53-V57 WeakPolarHBondContact O-CG2 3.36Å; N53-V57 PolarHBondContact O-N 2.76Å; R54-V57 PolarHBondContact O-N 3.44Å; V57-H60 PolarHBondContact O-N 3.42Å; V57-N61 VanDerWaalsContact O-CB 3.23Å; V57-N61 WeakPolarHBondContact O-CB 3.12Å; V57-N61 PolarHBondContact O-N 2.82Å; V57-L73 HydrophobicContact CB-CB 4.37Å; V57-L73 HydrophobicContact CG1-CB 4.35Å; V57-L73 WeakPolarHBondContact CG1-O 3.5Å; V57-L73 HydrophobicContact CG2-CB 3.86Å; V57-M75 HydrophobicContact CB-SD 4.2Å; V57-M75 HydrophobicContact CG2-SD 3.75Å; V57-L263 HydrophobicContact CG2-CB 4.49Å; V57-L263 HydrophobicContact CG2-CD1 4.17Å
58L98.5Very high98.3Very high82 Ų8263.3 Ų63.343%0.42934%0.335SS..Hα-helixtrans-62.7-48.5-179.9-71.6173000112R54 K55 L56 H60 N61 I62R54-L58 HydrophobicContact CG-CD1 4.22Å; R54-L58 HydrophobicContact CG-CG 4.48Å; R54-L58 WeakPolarHBondContact O-CG 3.11Å; R54-L58 PolarHBondContact O-N 3.05Å; K55-L58 PolarHBondContact O-N 3.39Å; L56-L58 PolarHBondContact O-N 2.83Å; L58-H60 PolarHBondContact O-N 3.45Å; L58-N61 PolarHBondContact O-N 3.17Å; L58-I62 VanDerWaalsContact O-CG1 3.29Å; L58-I62 WeakPolarHBondContact O-CG1 3.22Å; L58-I62 PolarHBondContact O-N 2.87Å
59V98.6Very high98.3Very high77 Ų7760.7 Ų60.747%0.46732%0.322SS..Hα-helixtrans-63.5-43.3179.9172.20000110.9K55 L56 I62 M63K55-V59 WeakPolarHBondContact O-CG2 3.23Å; K55-V59 PolarHBondContact O-N 3.29Å; L56-V59 PolarHBondContact O-N 2.8Å; V59-I62 PolarHBondContact O-N 3.17Å; V59-M63 HydrophobicContact CG1-CE 4.36Å; V59-M63 PolarHBondContact O-N 3.43Å
60H98.8Very high98.3Very high12 Ų1262.2 Ų62.26%0.05633%0.334CS..Hα-helixtrans-62.2-45.5176.8-174.198.1000112.1L56 V57 L58 I62 M63 A64 Y71 L73L56-H60 VanDerWaalsContact O-CB 3.31Å; L56-H60 WeakPolarHBondContact O-CB 3.36Å; L56-H60 PolarHBondContact O-N 3.37Å; V57-H60 PolarHBondContact O-N 3.42Å; L58-H60 PolarHBondContact O-N 3.45Å; H60-I62 VanDerWaalsContact C-N 3.33Å; H60-I62 PolarHBondContact O-N 3.12Å; H60-M63 HydrophobicContact CB-CE 4.46Å; H60-M63 WeakPolarHBondContact O-CA 3.28Å; H60-M63 WeakPolarHBondContact O-CB 3.41Å; H60-M63 PolarHBondContact O-N 3.23Å; H60-M63 VanDerWaalsContact O-N 3.08Å; H60-A64 PolarHBondContact O-N 3.42Å; H60-Y71 PolarHBondContact CD2-O 3.3Å; H60-Y71 AromaticContact CE1-CE1 3.66Å; H60-Y71 AromaticContact CE1-CE2 3.54Å; H60-Y71 AromaticContact CE1-CZ 3.25Å; H60-Y71 PolarHBondContact CE1-OH 3.15Å; H60-Y71 AromaticContact NE2-CD2 3.79Å; H60-Y71 AromaticContact NE2-CE1 3.96Å; H60-Y71 AromaticContact NE2-CE2 3.64Å; H60-Y71 AromaticContact NE2-CZ 3.72Å; H60-Y71 PolarHBondContact NE2-O 3.15Å; H60-L73 HydrophobicContact CB-CD1 3.61Å; H60-L73 HydrophobicContact CB-CG 4.13Å
61N98.8Very high98.3Very high21 Ų2162.1 Ų62.111%0.11233%0.333CS..Hα-helixtrans-69.7-30.1-177.3-73.9-6.5000112.5V57 L58 M63 A64 D65 R72 L73V57-N61 VanDerWaalsContact O-CB 3.23Å; V57-N61 WeakPolarHBondContact O-CB 3.12Å; V57-N61 PolarHBondContact O-N 2.82Å; L58-N61 PolarHBondContact O-N 3.17Å; N61-M63 VanDerWaalsContact C-N 3.34Å; N61-A64 WeakPolarHBondContact O-CB 3.36Å; N61-A64 PolarHBondContact O-N 2.93Å; N61-D65 PolarHBondContact O-N 3.08Å; N61-R72 WeakPolarHBondContact OD1-CA 3.45Å; N61-L73 PolarHBondContact ND2-O 2.97Å; N61-L73 PolarHBondContact OD1-N 3.13Å; N61-L73 PolarHBondContact OD1-O 2.52Å
62I98.7Very high98.3Very high105 Ų10564.4 Ų64.454%0.53834%0.34SS..Hα-helixtrans-61.1-43.6168.1-69.9163.5000110.5L58 V59 H60 A64 D65 E66L58-I62 VanDerWaalsContact O-CG1 3.29Å; L58-I62 WeakPolarHBondContact O-CG1 3.22Å; L58-I62 PolarHBondContact O-N 2.87Å; V59-I62 PolarHBondContact O-N 3.17Å; H60-I62 VanDerWaalsContact C-N 3.33Å; H60-I62 PolarHBondContact O-N 3.12Å; I62-A64 VanDerWaalsContact C-N 3.3Å; I62-A64 PolarHBondContact O-N 3.09Å; I62-D65 PolarHBondContact O-N 3.42Å; I62-E66 WeakPolarHBondContact O-CG 3.47Å; I62-E66 PolarHBondContact O-N 3.43Å
63M98.6Very high98.4Very high62 Ų6260.2 Ų60.231%0.30532%0.317SS..Hα-helixtrans-65.7-33.6175.1-66-174.5-68.900112.4V59 H60 N61 E66 G67 I68 K69V59-M63 HydrophobicContact CG1-CE 4.36Å; V59-M63 PolarHBondContact O-N 3.43Å; H60-M63 HydrophobicContact CB-CE 4.46Å; H60-M63 WeakPolarHBondContact O-CA 3.28Å; H60-M63 WeakPolarHBondContact O-CB 3.41Å; H60-M63 PolarHBondContact O-N 3.23Å; H60-M63 VanDerWaalsContact O-N 3.08Å; N61-M63 VanDerWaalsContact C-N 3.34Å; M63-E66 PolarHBondContact O-N 3.14Å; M63-G67 PolarHBondContact O-N 3.16Å; M63-I68 HydrophobicContact CB-CB 4.16Å; M63-I68 HydrophobicContact CB-CG2 4.45Å; M63-I68 WeakPolarHBondContact O-CB 3.39Å; M63-I68 PolarHBondContact O-N 3.01Å; M63-K69 HydrophobicContact CB-CG 3.92Å; M63-K69 HydrophobicContact CE-CG 4.41Å; M63-K69 PolarHBondContact O-N 3.47Å
64A98.3Very high98.3Very high16 Ų1659.8 Ų59.813%0.13232%0.316CS..Hα-helixtrans-67.8-38.6174.600000112.1H60 N61 I62 E66 G67 K69 R72H60-A64 PolarHBondContact O-N 3.42Å; N61-A64 WeakPolarHBondContact O-CB 3.36Å; N61-A64 PolarHBondContact O-N 2.93Å; I62-A64 VanDerWaalsContact C-N 3.3Å; I62-A64 PolarHBondContact O-N 3.09Å; A64-E66 PolarHBondContact O-N 3.39Å; A64-G67 PolarHBondContact O-N 3.22Å; A64-K69 WeakPolarHBondContact CA-O 3.31Å; A64-K69 HydrophobicContact CB-CB 4.15Å; A64-R72 HydrophobicContact CB-CG 4.47Å
65D98.3Very high98.3Very high104 Ų10459.5 Ų59.556%0.55632%0.317SS*.Hα-helixtrans-63.9-31.2176.4-65.1-21.4000112N61 I62 G67 R72N61-D65 PolarHBondContact O-N 3.08Å; I62-D65 PolarHBondContact O-N 3.42Å; D65-G67 VanDerWaalsContact C-N 3.29Å; D65-R72 IonicContact OD1-CZ 3.59Å; D65-R72 VanDerWaalsContact OD1-CZ 3.28Å; D65-R72 IonicContact OD1-NH1 2.68Å; D65-R72 PolarHBondContact OD1-NH1 3.45Å; D65-R72 IonicContact OD1-NH2 3.83Å; D65-R72 PolarHBondContact OD1-NH2 2.87Å; D65-R72 IonicContact OD2-NH2 3.48Å
66E98Very high98.2Very high150 Ų15052.9 Ų52.970%0.70129%0.289SS*.THydrogen-bonded Turntrans-83.72.5173.1-63.4-65.6144.200113.5I62 M63 A64 I68I62-E66 WeakPolarHBondContact O-CG 3.47Å; I62-E66 PolarHBondContact O-N 3.43Å; M63-E66 PolarHBondContact O-N 3.14Å; A64-E66 PolarHBondContact O-N 3.39Å; E66-I68 HydrophobicContact CB-CD1 4.11Å; E66-I68 HydrophobicContact CB-CG1 4.2Å; E66-I68 PolarHBondContact O-N 3.4Å
67G96.6Very high98Very high64 Ų6451.4 Ų51.466%0.6628%0.279SS*.THydrogen-bonded Turntrans72.410.6-179.700000115.2M63 A64 D65M63-G67 PolarHBondContact O-N 3.16Å; A64-G67 PolarHBondContact O-N 3.22Å; D65-G67 VanDerWaalsContact C-N 3.29Å
68I97.6Very high97.9Very high122 Ų12250.8 Ų50.863%0.62628%0.276SS*.SBendtrans-75.2-34.4177.5-60.6169.1000110.7M63 E66M63-I68 HydrophobicContact CB-CB 4.16Å; M63-I68 HydrophobicContact CB-CG2 4.45Å; M63-I68 WeakPolarHBondContact O-CB 3.39Å; M63-I68 PolarHBondContact O-N 3.01Å; E66-I68 HydrophobicContact CB-CD1 4.11Å; E66-I68 HydrophobicContact CB-CG1 4.2Å; E66-I68 PolarHBondContact O-N 3.4Å
69K98.1Very high97.8Very high49 Ų4946.9 Ų46.921%0.21326%0.255CS..  trans-112.6136.9175.5-67.1-66.7-167.8170.80110M63 A64 Y71M63-K69 HydrophobicContact CB-CG 3.92Å; M63-K69 HydrophobicContact CE-CG 4.41Å; M63-K69 PolarHBondContact O-N 3.47Å; A64-K69 WeakPolarHBondContact CA-O 3.31Å; A64-K69 HydrophobicContact CB-CB 4.15Å; K69-Y71 VanDerWaalsContact C-N 3.33Å; K69-Y71 HydrophobicContact CD-CE1 4.28Å
70S98.2Very high97.8Very high41 Ų4143.4 Ų43.429%0.28723%0.234SC..SBendtrans-86.10.4-178.850.40000114.8V268S70-V268 WeakPolarHBondContact CB-O 3.27Å; S70-V268 PolarHBondContact O-N 2.78Å; S70-V268 PolarHBondContact OG-O 3.07Å
71Y98.7Very high97.6Very high3 Ų343.5 Ų43.51%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-144.5159.3-174.868-75.3000111.1H60 K69 L73 S260 Y264 S266 Y269 D270H60-Y71 PolarHBondContact CD2-O 3.3Å; H60-Y71 AromaticContact CE1-CE1 3.66Å; H60-Y71 AromaticContact CE1-CE2 3.54Å; H60-Y71 AromaticContact CE1-CZ 3.25Å; H60-Y71 PolarHBondContact CE1-OH 3.15Å; H60-Y71 AromaticContact NE2-CD2 3.79Å; H60-Y71 AromaticContact NE2-CE1 3.96Å; H60-Y71 AromaticContact NE2-CE2 3.64Å; H60-Y71 AromaticContact NE2-CZ 3.72Å; H60-Y71 PolarHBondContact NE2-O 3.15Å; K69-Y71 VanDerWaalsContact C-N 3.33Å; K69-Y71 HydrophobicContact CD-CE1 4.28Å; Y71-L73 HydrophobicContact CD2-CD2 4.03Å; Y71-L73 HydrophobicContact CE2-CD2 3.66Å; Y71-L73 HydrophobicContact CE2-CG 4.43Å; Y71-S260 WeakPolarHBondContact OH-CB 3.48Å; Y71-Y264 HydrophobicContact CD2-CD2 4.05Å; Y71-S266 CarbonylContact C-O 3.55Å; Y71-S266 VanDerWaalsContact CA-O 3.25Å; Y71-S266 WeakPolarHBondContact CA-O 3.28Å; Y71-S266 WeakPolarHBondContact CB-O 3.4Å; Y71-Y269 AromaticContact CD2-CD2 3.88Å; Y71-Y269 HydrophobicContact CD2-CD2 3.88Å; Y71-Y269 AromaticContact CE2-CD2 3.6Å; Y71-Y269 HydrophobicContact CE2-CD2 3.6Å; Y71-Y269 AromaticContact CE2-CE2 3.87Å; Y71-Y269 HydrophobicContact CE2-CE2 3.87Å; Y71-Y269 HydrophobicContact CG-CD2 4.42Å; Y71-Y269 AromaticContact CZ-CD2 3.97Å; Y71-D270 HydrophobicContact CD1-CB 4.47Å; Y71-D270 HydrophobicContact CE1-CB 4.37Å; Y71-D270 VanDerWaalsContact CE1-O 3.29Å; Y71-D270 WeakPolarHBondContact CE1-O 3.41Å
72R98.7Very high97.5Very high82 Ų8247.1 Ų47.131%0.30925%0.251SS..EExtended strand (participates in β ladder)trans-110.2149.3177.9-54.7-167.581.185.5-5.3110.8N61 A64 D65 E265 S266N61-R72 WeakPolarHBondContact OD1-CA 3.45Å; A64-R72 HydrophobicContact CB-CG 4.47Å; D65-R72 IonicContact OD1-CZ 3.59Å; D65-R72 VanDerWaalsContact OD1-CZ 3.28Å; D65-R72 IonicContact OD1-NH1 2.68Å; D65-R72 PolarHBondContact OD1-NH1 3.45Å; D65-R72 IonicContact OD1-NH2 3.83Å; D65-R72 PolarHBondContact OD1-NH2 2.87Å; D65-R72 IonicContact OD2-NH2 3.48Å; R72-E265 PolarHBondContact O-N 2.75Å; R72-S266 PolarHBondContact N-O 2.88Å; R72-S266 PolarHBondContact O-N 2.83Å
73L98.8Very high97.3Very high0 Ų044.3 Ų44.30%024%0.237CC..EExtended strand (participates in β ladder)trans-102.9154.3169.4-56.5-179000109.9L56 V57 H60 N61 Y71 S260 L263L56-L73 HydrophobicContact CD2-CD1 3.22Å; V57-L73 HydrophobicContact CB-CB 4.37Å; V57-L73 HydrophobicContact CG1-CB 4.35Å; V57-L73 WeakPolarHBondContact CG1-O 3.5Å; V57-L73 HydrophobicContact CG2-CB 3.86Å; H60-L73 HydrophobicContact CB-CD1 3.61Å; H60-L73 HydrophobicContact CB-CG 4.13Å; N61-L73 PolarHBondContact ND2-O 2.97Å; N61-L73 PolarHBondContact OD1-N 3.13Å; N61-L73 PolarHBondContact OD1-O 2.52Å; Y71-L73 HydrophobicContact CD2-CD2 4.03Å; Y71-L73 HydrophobicContact CE2-CD2 3.66Å; Y71-L73 HydrophobicContact CE2-CG 4.43Å; L73-S260 WeakPolarHBondContact CD2-O 3.41Å; L73-L263 CarbonylContact C-O 3.56Å; L73-L263 VanDerWaalsContact CA-O 3.22Å; L73-L263 WeakPolarHBondContact CA-O 3.43Å; L73-L263 HydrophobicContact CB-CB 4.24Å; L73-L263 HydrophobicContact CD2-CB 4.23Å
74G98.3Very high97Very high5 Ų546.7 Ų46.75%0.05225%0.247CC..  trans-136.6164.2177.100000111.4T76 L263G74-T76 PolarHBondContact O-N 2.97Å; G74-L263 PolarHBondContact N-O 2.67Å
75M98.1Very high96.7Very high38 Ų3849.1 Ų49.119%0.18726%0.256CS..  trans-77.475.2171.8-60.1-53.8-72.700109.3W29 F33 W50 N53 R54 V57 A79W29-M75 PolarHBondContact NE1-O 3.12Å; W29-M75 VanDerWaalsContact NE1-O 3.09Å; F33-M75 WeakPolarHBondContact CE2-O 3.37Å; W50-M75 VanDerWaalsContact CD1-CE 3.48Å; W50-M75 HydrophobicContact CD2-CE 3.65Å; W50-M75 HydrophobicContact CE3-CE 4.49Å; W50-M75 HydrophobicContact CG-CE 3.72Å; W50-M75 HydrophobicContact CZ2-CE 3.94Å; W50-M75 HydrophobicContact CZ2-CG 4.43Å; W50-M75 VanDerWaalsContact O-CE 3.26Å; W50-M75 WeakPolarHBondContact O-CE 3.41Å; N53-M75 HydrophobicContact CB-CE 4.36Å; R54-M75 WeakPolarHBondContact CA-SD 3.24Å; R54-M75 HydrophobicContact CB-CE 3.74Å; R54-M75 HydrophobicContact CB-SD 3.9Å; R54-M75 HydrophobicContact CG-SD 4.39Å; V57-M75 HydrophobicContact CB-SD 4.2Å; V57-M75 HydrophobicContact CG2-SD 3.75Å; M75-A79 HydrophobicContact CB-CB 4.22Å; M75-A79 HydrophobicContact CE-CB 3.59Å; M75-A79 HydrophobicContact SD-CB 4.33Å
76T96.3Very high96.4Very high7 Ų744.1 Ų44.14%0.04323%0.229CC..  trans-64.2177.2179.669.70000111.4W29 G74 F78 A79 Q262W29-T76 WeakPolarHBondContact CZ2-O 3.29Å; W29-T76 PolarHBondContact NE1-O 2.85Å; G74-T76 PolarHBondContact O-N 2.97Å; T76-F78 PolarHBondContact O-N 3.07Å; T76-F78 PolarHBondContact OG1-N 2.99Å; T76-A79 WeakPolarHBondContact O-CB 3.5Å; T76-A79 PolarHBondContact O-N 2.89Å; T76-Q262 PolarHBondContact OG1-O 3.37Å
77Y94.3Very high96Very high27 Ų2743.3 Ų43.311%0.10622%0.22CC..G310 helixtrans-62.3-24.5175.987.1-88.5000112W29 F33 R35 A79 W303W29-Y77 WeakPolarHBondContact CZ2-O 3.44Å; F33-Y77 VanDerWaalsContact CD1-CB 3.48Å; R35-Y77 PolarHBondContact NH2-O 3.27Å; Y77-A79 PolarHBondContact O-N 3.34Å; Y77-W303 HydrophobicContact CE1-CB 4.17Å
78F95.7Very high95.3Very high0 Ų046.9 Ų46.90%021%0.213CC..G310 helixtrans-780.9175.4-58.2-69.5000114.5T76 D80 M81 Y86 M89 Q262 W303 W307T76-F78 PolarHBondContact O-N 3.07Å; T76-F78 PolarHBondContact OG1-N 2.99Å; F78-D80 PolarHBondContact O-N 2.9Å; F78-D80 VanDerWaalsContact O-N 3.12Å; F78-M81 HydrophobicContact CD1-SD 3.76Å; F78-M81 WeakPolarHBondContact O-CB 3.3Å; F78-M81 PolarHBondContact O-N 3.31Å; F78-Y86 HydrophobicContact CD1-CD2 4.19Å; F78-Y86 HydrophobicContact CE1-CD2 4.34Å; F78-Y86 HydrophobicContact CE2-CE2 4.42Å; F78-Y86 HydrophobicContact CG-CD2 4.32Å; F78-Y86 HydrophobicContact CZ-CE2 4.38Å; F78-M89 HydrophobicContact CD1-CE 4.4Å; F78-M89 HydrophobicContact CE1-CE 4.07Å; F78-M89 HydrophobicContact CE1-SD 3.77Å; F78-Q262 HydrophobicContact CB-CG 3.59Å; F78-Q262 HydrophobicContact CD2-CG 4.46Å; F78-Q262 HydrophobicContact CG-CG 4.22Å; F78-Q262 PolarHBondContact O-NE2 2.82Å; F78-W303 AromaticContact CE2-CD2 3.84Å; F78-W303 HydrophobicContact CE2-CD2 3.84Å; F78-W303 AromaticContact CE2-CE3 3.42Å; F78-W303 HydrophobicContact CE2-CE3 3.42Å; F78-W303 VanDerWaalsContact CE2-CE3 3.42Å; F78-W303 HydrophobicContact CE2-CG 4.34Å; F78-W303 AromaticContact CE2-CZ3 3.87Å; F78-W303 HydrophobicContact CE2-CZ3 3.87Å; F78-W303 AromaticContact CZ-CD2 3.78Å; F78-W303 HydrophobicContact CZ-CD2 3.78Å; F78-W303 AromaticContact CZ-CE3 3.84Å; F78-W303 HydrophobicContact CZ-CE3 3.84Å; F78-W303 HydrophobicContact CZ-CG 4.12Å; F78-W303 HydrophobicContact CZ-CZ3 4.32Å; F78-W307 AromaticContact CD2-CD1 3.96Å; F78-W307 AromaticContact CE2-CD1 3.79Å
79A97.5Very high94.4Very high0 Ų042.7 Ų42.70%019%0.192CC..G310 helixtrans-67.7-15.3-169.100000114.3W29 W50 N53 M75 T76 Y77 L263W29-A79 HydrophobicContact CZ2-CB 3.99Å; W50-A79 VanDerWaalsContact CA-O 3.23Å; W50-A79 WeakPolarHBondContact CA-O 3.32Å; N53-A79 PolarHBondContact ND2-O 3.36Å; M75-A79 HydrophobicContact CB-CB 4.22Å; M75-A79 HydrophobicContact CE-CB 3.59Å; M75-A79 HydrophobicContact SD-CB 4.33Å; T76-A79 WeakPolarHBondContact O-CB 3.5Å; T76-A79 PolarHBondContact O-N 2.89Å; Y77-A79 PolarHBondContact O-N 3.34Å; A79-L263 HydrophobicContact CB-CD2 4.08Å
80D97.3Very high93.2Very high3 Ų340.4 Ų40.42%0.01618%0.182CC..G310 helixtrans-95.512.3172.270.5-24.8000114.2W29 R35 Y37 R46 W50 F78W29-D80 HydrophobicContact CH2-CB 3.58Å; W29-D80 WeakPolarHBondContact CH2-OD1 3.19Å; W29-D80 HydrophobicContact CZ2-CB 4.42Å; W29-D80 HydrophobicContact CZ3-CB 3.95Å; R35-D80 IonicContact CZ-OD1 3.76Å; R35-D80 IonicContact NE-OD1 4Å; R35-D80 IonicContact NE-OD2 3.56Å; R35-D80 IonicContact NH2-OD1 2.72Å; Y37-D80 VanDerWaalsContact CE1-OD2 3.32Å; Y37-D80 WeakPolarHBondContact CE1-OD2 3.45Å; Y37-D80 PolarHBondContact OH-OD2 2.95Å; R46-D80 HydrophobicContact CB-CB 4.22Å; R46-D80 VanDerWaalsContact CD-O 3.22Å; R46-D80 WeakPolarHBondContact CD-O 3.24Å; R46-D80 PolarHBondContact NH1-O 2.83Å; W50-D80 HydrophobicContact CB-CB 4.46Å; F78-D80 PolarHBondContact O-N 2.9Å; F78-D80 VanDerWaalsContact O-N 3.12Å
81M95.9Very high91.5Very high15 Ų1540.2 Ų40.27%0.07418%0.18CC..SBendtrans-107.3136.2176.4-62.1177.7177.200111.1I49 N53 F78 M89 Q262I49-M81 WeakPolarHBondContact CG2-O 3.41Å; N53-M81 PolarHBondContact ND2-O 3.48Å; F78-M81 HydrophobicContact CD1-SD 3.76Å; F78-M81 WeakPolarHBondContact O-CB 3.3Å; F78-M81 PolarHBondContact O-N 3.31Å; M81-M89 HydrophobicContact CE-CE 3.67Å; M81-M89 HydrophobicContact SD-CE 3.53Å; M81-M89 VanDerWaalsContact SD-CE 3.53Å; M81-Q262 PolarHBondContact O-NE2 2.74Å
82E95.9Very high89.6Confident97 Ų9744.6 Ų44.645%0.45320%0.203SC..  trans-67.6149.8169.9-69.8-174.9174.100109.3I49 E84 E85 Y86I49-E82 HydrophobicContact CB-CG 4.44Å; I49-E82 HydrophobicContact CD1-CG 3.72Å; I49-E82 HydrophobicContact CG1-CG 3.66Å; I49-E82 HydrophobicContact CG2-CG 3.92Å; E82-E84 PolarHBondContact O-N 3.42Å; E82-E85 HydrophobicContact CB-CB 4.47Å; E82-E85 WeakPolarHBondContact O-CB 3.3Å; E82-E85 PolarHBondContact O-N 2.99Å; E82-Y86 PolarHBondContact O-N 3.48Å
83N94.3Very high87.9Confident46 Ų4641 Ų4125%0.24619%0.192CC..Hα-helixtrans-60.2-32-179.1179.2-109.1000112.1Y86 R87 G257 S259 Q262N83-Y86 PolarHBondContact O-N 2.96Å; N83-R87 WeakPolarHBondContact O-CB 3.49Å; N83-R87 VanDerWaalsContact O-CG 3.22Å; N83-R87 WeakPolarHBondContact O-CG 3.19Å; N83-R87 PolarHBondContact O-N 3.03Å; N83-R87 VanDerWaalsContact OD1-CD 3.24Å; N83-R87 WeakPolarHBondContact OD1-CD 3.31Å; N83-G257 PolarHBondContact ND2-O 2.88Å; N83-S259 PolarHBondContact ND2-N 3.32Å; N83-S259 VanDerWaalsContact ND2-N 3.19Å; N83-Q262 PolarHBondContact ND2-OE1 3.42Å
84E92.6Very high87.2Confident112 Ų11241.1 Ų41.152%0.52319%0.192SC..Hα-helixtrans-66.3-39174.4-169179.3173.300112.4E82 R87 R88E82-E84 PolarHBondContact O-N 3.42Å; E84-R87 PolarHBondContact O-N 3.49Å; E84-R88 WeakPolarHBondContact O-CB 3.03Å; E84-R88 VanDerWaalsContact O-CG 3.23Å; E84-R88 WeakPolarHBondContact O-CG 3.37Å; E84-R88 PolarHBondContact O-N 2.91Å; E84-R88 IonicContact OE1-CZ 3.91Å; E84-R88 IonicContact OE1-NE 2.68Å; E84-R88 IonicContact OE1-NH2 2.91Å; E84-R88 PolarHBondContact OE1-NH2 3.09Å
85E91.8Very high86.8Confident66 Ų6641 Ų4131%0.30819%0.191SC..Hα-helixtrans-65-44.6174.1-177.1-179-164.500111R46 E82 R88 M89R46-E85 IonicContact CZ-OE1 2.75Å; R46-E85 IonicContact CZ-OE2 3.1Å; R46-E85 VanDerWaalsContact NH1-CD 3.33Å; R46-E85 IonicContact NH1-OE1 3.83Å; R46-E85 PolarHBondContact NH1-OE1 3.3Å; R46-E85 IonicContact NH1-OE2 3.91Å; R46-E85 PolarHBondContact NH1-OE2 2.9Å; R46-E85 IonicContact NH2-OE1 2.72Å; R46-E85 PolarHBondContact NH2-OE1 2.85Å; R46-E85 IonicContact NH2-OE2 3.31Å; E82-E85 HydrophobicContact CB-CB 4.47Å; E82-E85 WeakPolarHBondContact O-CB 3.3Å; E82-E85 PolarHBondContact O-N 2.99Å; E85-R88 WeakPolarHBondContact O-CB 3.34Å; E85-R88 PolarHBondContact O-N 3.47Å; E85-M89 PolarHBondContact O-N 3.1Å
86Y92Very high85.8Confident0 Ų046.1 Ų46.10%021%0.208CC..Hα-helixtrans-59.9-47.9174.1164.5-98000112F78 E82 N83 R88 M89 I90 A256 F261 Q262 W303F78-Y86 HydrophobicContact CD1-CD2 4.19Å; F78-Y86 HydrophobicContact CE1-CD2 4.34Å; F78-Y86 HydrophobicContact CE2-CE2 4.42Å; F78-Y86 HydrophobicContact CG-CD2 4.32Å; F78-Y86 HydrophobicContact CZ-CE2 4.38Å; E82-Y86 PolarHBondContact O-N 3.48Å; N83-Y86 PolarHBondContact O-N 2.96Å; Y86-R88 VanDerWaalsContact C-N 3.28Å; Y86-R88 PolarHBondContact O-N 2.9Å; Y86-M89 WeakPolarHBondContact O-CA 3.38Å; Y86-M89 WeakPolarHBondContact O-CB 3.37Å; Y86-M89 PolarHBondContact O-N 3.1Å; Y86-I90 HydrophobicContact CD2-CG1 4.03Å; Y86-I90 HydrophobicContact CE1-CG1 4.22Å; Y86-I90 HydrophobicContact CE2-CD1 4.14Å; Y86-I90 HydrophobicContact CE2-CG1 3.55Å; Y86-I90 PolarHBondContact O-N 3.45Å; Y86-A256 WeakPolarHBondContact CE1-O 3.48Å; Y86-A256 PolarHBondContact OH-O 2.88Å; Y86-F261 WeakPolarHBondContact OH-CD1 2.85Å; Y86-Q262 HydrophobicContact CD1-CB 3.88Å; Y86-Q262 HydrophobicContact CD1-CG 4.13Å; Y86-Q262 HydrophobicContact CD2-CB 3.95Å; Y86-Q262 HydrophobicContact CD2-CG 3.6Å; Y86-Q262 HydrophobicContact CE1-CB 3.74Å; Y86-Q262 HydrophobicContact CE1-CG 4.4Å; Y86-Q262 HydrophobicContact CE2-CB 3.79Å; Y86-Q262 HydrophobicContact CE2-CG 3.89Å; Y86-Q262 HydrophobicContact CG-CB 3.97Å; Y86-Q262 HydrophobicContact CG-CG 3.71Å; Y86-W303 AromaticContact CE2-CH2 3.98Å; Y86-W303 HydrophobicContact CE2-CH2 3.98Å; Y86-W303 HydrophobicContact CE2-CZ3 4.3Å; Y86-W303 WeakPolarHBondContact OH-CH2 3.44Å
87R89.1Confident84.8Confident132 Ų13248 Ų4850%0.49822%0.222SC..Hα-helixtrans-62.2-35.7176.6-75.8177.871.1178.26.4112N83 E84 M89 I90 S91 G257N83-R87 WeakPolarHBondContact O-CB 3.49Å; N83-R87 VanDerWaalsContact O-CG 3.22Å; N83-R87 WeakPolarHBondContact O-CG 3.19Å; N83-R87 PolarHBondContact O-N 3.03Å; N83-R87 VanDerWaalsContact OD1-CD 3.24Å; N83-R87 WeakPolarHBondContact OD1-CD 3.31Å; E84-R87 PolarHBondContact O-N 3.49Å; R87-M89 VanDerWaalsContact C-N 3.32Å; R87-I90 PolarHBondContact O-N 2.97Å; R87-S91 WeakPolarHBondContact O-CA 3.44Å; R87-S91 WeakPolarHBondContact O-CB 3.25Å; R87-S91 PolarHBondContact O-N 2.82Å; R87-S91 PolarHBondContact O-OG 3.43Å; R87-G257 VanDerWaalsContact CD-O 3.29Å; R87-G257 WeakPolarHBondContact CD-O 3.4Å; R87-G257 WeakPolarHBondContact CG-O 3.16Å
88R82.9Confident84.4Confident139 Ų13949 Ų4953%0.52523%0.226SC..Hα-helixtrans-63.3-42.1172.7-74.4173.8-169.1-176.95.4110.8E84 E85 Y86 L92E84-R88 WeakPolarHBondContact O-CB 3.03Å; E84-R88 VanDerWaalsContact O-CG 3.23Å; E84-R88 WeakPolarHBondContact O-CG 3.37Å; E84-R88 PolarHBondContact O-N 2.91Å; E84-R88 IonicContact OE1-CZ 3.91Å; E84-R88 IonicContact OE1-NE 2.68Å; E84-R88 IonicContact OE1-NH2 2.91Å; E84-R88 PolarHBondContact OE1-NH2 3.09Å; E85-R88 WeakPolarHBondContact O-CB 3.34Å; E85-R88 PolarHBondContact O-N 3.47Å; Y86-R88 VanDerWaalsContact C-N 3.28Å; Y86-R88 PolarHBondContact O-N 2.9Å; R88-L92 HydrophobicContact CB-CD1 3.83Å; R88-L92 HydrophobicContact CB-CG 4.5Å; R88-L92 HydrophobicContact CG-CD1 3.85Å; R88-L92 WeakPolarHBondContact O-CB 3.31Å; R88-L92 PolarHBondContact O-N 2.94Å; R88-L92 VanDerWaalsContact O-N 3.11Å
89M77.4Confident84Confident35 Ų3552.8 Ų52.817%0.17225%0.247CC..Hα-helixtrans-62.2-45.2175.9-171.5-159.9-66.200112.3F78 M81 E85 Y86 R87 G93F78-M89 HydrophobicContact CD1-CE 4.4Å; F78-M89 HydrophobicContact CE1-CE 4.07Å; F78-M89 HydrophobicContact CE1-SD 3.77Å; M81-M89 HydrophobicContact CE-CE 3.67Å; M81-M89 HydrophobicContact SD-CE 3.53Å; M81-M89 VanDerWaalsContact SD-CE 3.53Å; E85-M89 PolarHBondContact O-N 3.1Å; Y86-M89 WeakPolarHBondContact O-CA 3.38Å; Y86-M89 WeakPolarHBondContact O-CB 3.37Å; Y86-M89 PolarHBondContact O-N 3.1Å; R87-M89 VanDerWaalsContact C-N 3.32Å; M89-G93 WeakPolarHBondContact O-CA 3.34Å; M89-G93 PolarHBondContact O-N 3.4Å
90I73.5Confident83.5Confident1 Ų153.6 Ų53.61%0.00525%0.253CS..Hα-helixtrans-80.6-53.7-176.9-56.2-46.6000111.9Y86 R87 G93 C94 A256 H281 W303Y86-I90 HydrophobicContact CD2-CG1 4.03Å; Y86-I90 HydrophobicContact CE1-CG1 4.22Å; Y86-I90 HydrophobicContact CE2-CD1 4.14Å; Y86-I90 HydrophobicContact CE2-CG1 3.55Å; Y86-I90 PolarHBondContact O-N 3.45Å; R87-I90 PolarHBondContact O-N 2.97Å; I90-G93 PolarHBondContact O-N 3.36Å; I90-C94 PolarHBondContact O-N 2.9Å; I90-A256 HydrophobicContact CG2-CB 4.29Å; I90-H281 HydrophobicContact CG2-CB 3.77Å; I90-W303 HydrophobicContact CD1-CH2 4.05Å; I90-W303 HydrophobicContact CD1-CZ2 3.3Å; I90-W303 HydrophobicContact CG1-CH2 4.32Å; I90-W303 HydrophobicContact CG1-CZ2 3.98Å
91S61.8Low83.1Confident36 Ų3658.7 Ų58.725%0.25229%0.29SS..Hα-helixtrans-80.3-29-173-33.60000115.4R87 G93 D280R87-S91 WeakPolarHBondContact O-CA 3.44Å; R87-S91 WeakPolarHBondContact O-CB 3.25Å; R87-S91 PolarHBondContact O-N 2.82Å; R87-S91 PolarHBondContact O-OG 3.43Å; S91-G93 VanDerWaalsContact C-N 3.34Å; S91-D280 PolarHBondContact OG-OD2 3.29Å
92L58.8Low82.6Confident96 Ų9663.1 Ų63.150%0.50331%0.313SS..THydrogen-bonded Turntrans-82.8-21168.7-57.9169.5000111.7R88R88-L92 HydrophobicContact CB-CD1 3.83Å; R88-L92 HydrophobicContact CB-CG 4.5Å; R88-L92 HydrophobicContact CG-CD1 3.85Å; R88-L92 WeakPolarHBondContact O-CB 3.31Å; R88-L92 PolarHBondContact O-N 2.94Å; R88-L92 VanDerWaalsContact O-N 3.11Å
93G64.5Low82Confident7 Ų763.1 Ų63.17%0.07232%0.321CS..THydrogen-bonded Turntrans-84-51.5-173.800000112.6M89 I90 S91 G140 N183 G184M89-G93 WeakPolarHBondContact O-CA 3.34Å; M89-G93 PolarHBondContact O-N 3.4Å; I90-G93 PolarHBondContact O-N 3.36Å; S91-G93 VanDerWaalsContact C-N 3.34Å; G93-G140 CarbonylContact C-O 3.56Å; G93-G140 VanDerWaalsContact CA-CA 3.48Å; G93-G140 CarbonylContact O-C 3.34Å; G93-G140 VanDerWaalsContact O-C 3.3Å; G93-G140 WeakPolarHBondContact O-CA 3.28Å; G93-N183 CarbonylContact O-C 3.58Å; G93-G184 WeakPolarHBondContact O-CA 3.42Å; G93-G184 PolarHBondContact O-N 3.48Å
94C84Confident81.6Confident1 Ų164.2 Ų64.21%0.00732%0.322CS..SBendtrans-105.8-76.5-155.6-162.10000117.8I90 R96 C142 W143 G184 G185 D280I90-C94 PolarHBondContact O-N 2.9Å; C94-R96 VanDerWaalsContact C-N 3.3Å; C94-R96 PolarHBondContact O-N 2.57Å; C94-C142 HydrophobicContact CB-CB 4.08Å; C94-C142 WeakPolarHBondContact CB-SG 3.42Å; C94-C142 VanDerWaalsContact SG-C 3.54Å; C94-C142 WeakPolarHBondContact SG-CA 3.5Å; C94-C142 WeakPolarHBondContact SG-CB 3.44Å; C94-C142 PolarHBondContact SG-N 2.63Å; C94-C142 CovalentContact SG-SG 1.97Å; C94-C142 PolarHBondContact SG-SG 2.92Å; C94-W143 PolarHBondContact SG-N 3.49Å; C94-G184 CarbonylContact O-C 3.54Å; C94-G184 WeakPolarHBondContact O-CA 3.41Å; C94-G185 PolarHBondContact O-N 3.48Å; C94-D280 WeakPolarHBondContact CB-O 3.25Å
95L88.7Confident81.3Confident2 Ų268.3 Ų68.31%0.0133%0.333CS..SBendtrans-90.518.4-175.3-63-175.2000114.1S97 F98 W143 L186 M187 L279 D280 H281L95-S97 PolarHBondContact O-N 2.56Å; L95-F98 HydrophobicContact CB-CB 4.21Å; L95-F98 WeakPolarHBondContact O-CA 3.18Å; L95-F98 WeakPolarHBondContact O-CB 3.26Å; L95-F98 PolarHBondContact O-N 3.17Å; L95-W143 HydrophobicContact CD2-CB 4.16Å; L95-L186 HydrophobicContact CD2-CD2 4.16Å; L95-M187 HydrophobicContact CD2-SD 3.81Å; L95-L279 HydrophobicContact CD1-CB 4.01Å; L95-D280 PolarHBondContact N-O 3.12Å; L95-H281 VanDerWaalsContact CD1-C 3.44Å
96R77.8Confident81.2Confident146 Ų14666 Ų6655%0.55133%0.327SS*.THydrogen-bonded Turntrans-40.4-32.3-168.1-171.2178.9176.6-173.2-0.1117.8C94 N183C94-R96 VanDerWaalsContact C-N 3.3Å; C94-R96 PolarHBondContact O-N 2.57Å; R96-N183 WeakPolarHBondContact CD-O 3.23Å
97S74.6Confident81.2Confident48 Ų4869.5 Ų69.534%0.33635%0.351SS..THydrogen-bonded Turntrans-91.52179.458.90000114.3L95L95-S97 PolarHBondContact O-N 2.56Å
98F86.5Confident81.3Confident46 Ų4668.3 Ų68.320%0.20236%0.363CS..  trans-65.5136.1178.5-177.2-107000110.7L95 A100 L186 T277 L279 T327 A328L95-F98 HydrophobicContact CB-CB 4.21Å; L95-F98 WeakPolarHBondContact O-CA 3.18Å; L95-F98 WeakPolarHBondContact O-CB 3.26Å; L95-F98 PolarHBondContact O-N 3.17Å; F98-A100 HydrophobicContact CE1-CB 3.8Å; F98-A100 HydrophobicContact CZ-CB 3.94Å; F98-L186 HydrophobicContact CB-CD2 3.86Å; F98-L186 HydrophobicContact CD2-CD2 4.24Å; F98-T277 WeakPolarHBondContact CE1-O 3.48Å; F98-L279 HydrophobicContact CD1-CB 3.85Å; F98-L279 HydrophobicContact CD1-CD1 3.98Å; F98-L279 HydrophobicContact CD1-CG 3.88Å; F98-L279 HydrophobicContact CE1-CB 4.04Å; F98-L279 HydrophobicContact CE1-CD1 3.41Å; F98-L279 VanDerWaalsContact CE1-CD1 3.41Å; F98-L279 HydrophobicContact CE1-CG 3.52Å; F98-L279 HydrophobicContact CE2-CD1 4.26Å; F98-L279 HydrophobicContact CZ-CD1 3.59Å; F98-L279 HydrophobicContact CZ-CG 4.22Å; F98-T327 HydrophobicContact CE1-CG2 4.41Å; F98-T327 HydrophobicContact CZ-CG2 4.01Å; F98-A328 HydrophobicContact CD2-CB 4.28Å; F98-A328 HydrophobicContact CE2-CB 3.55Å; F98-A328 HydrophobicContact CZ-CB 3.85Å
99N87.1Confident81.8Confident80 Ų8062.4 Ų62.443%0.42834%0.341SS..  trans-144.8110.3172.7-179.8-26.5000107.9S101 L102N99-S101 PolarHBondContact O-N 2.88Å; N99-S101 WeakPolarHBondContact OD1-CA 3.34Å; N99-S101 VanDerWaalsContact OD1-CB 3.25Å; N99-S101 WeakPolarHBondContact OD1-CB 3.46Å; N99-S101 PolarHBondContact OD1-N 3.49Å; N99-L102 HydrophobicContact CB-CD1 3.87Å; N99-L102 HydrophobicContact CB-CG 3.87Å; N99-L102 PolarHBondContact O-N 3.48Å
100A87.3Confident82.3Confident17 Ų1766.8 Ų66.814%0.1437%0.365CS..THydrogen-bonded Turntrans-60.7-16.8-178.200000113.9F98 Q234 T277 T327F98-A100 HydrophobicContact CE1-CB 3.8Å; F98-A100 HydrophobicContact CZ-CB 3.94Å; A100-Q234 PolarHBondContact O-NE2 2.76Å; A100-T277 HydrophobicContact CB-CG2 4.35Å; A100-T327 HydrophobicContact CB-CG2 4.28Å
101S87.7Confident82.9Confident111 Ų11169.9 Ų69.978%0.77639%0.387SS*.THydrogen-bonded Turntrans-87.9-13.2178.2-540000113.4N99N99-S101 PolarHBondContact O-N 2.88Å; N99-S101 WeakPolarHBondContact OD1-CA 3.34Å; N99-S101 VanDerWaalsContact OD1-CB 3.25Å; N99-S101 WeakPolarHBondContact OD1-CB 3.46Å; N99-S101 PolarHBondContact OD1-N 3.49Å
102L86.4Confident83.9Confident107 Ų10774.4 Ų74.456%0.5641%0.407SS*.SBendtrans-77.1143.5179.1-71179.7000111N99 R104N99-L102 HydrophobicContact CB-CD1 3.87Å; N99-L102 HydrophobicContact CB-CG 3.87Å; N99-L102 PolarHBondContact O-N 3.48Å; L102-R104 PolarHBondContact O-N 3.49Å
103P82.7Confident85Confident98 Ų9874.6 Ų74.664%0.63640%0.404SS*.PPolyproline II helixtrans-65.5132.2177.726.9-33.7000110.8
104R85.4Confident85.4Confident68 Ų6879.9 Ų79.926%0.25743%0.431SS..PPolyproline II helixtrans-66.8134.4171-60.5-99.1-76.8149.3-2.8108.6L102 D188 D231 V232 A329L102-R104 PolarHBondContact O-N 3.49Å; R104-D188 IonicContact NH1-OD2 2.97Å; R104-D231 HydrophobicContact CB-CB 4.27Å; R104-D231 WeakPolarHBondContact CB-OD2 3.38Å; R104-D231 IonicContact CZ-OD1 3.12Å; R104-D231 IonicContact CZ-OD2 4Å; R104-D231 IonicContact NE-OD2 2.93Å; R104-D231 IonicContact NH1-OD1 3.67Å; R104-D231 PolarHBondContact NH1-OD1 3.01Å; R104-D231 IonicContact NH1-OD2 2.57Å; R104-D231 IonicContact NH2-OD1 2.67Å; R104-D231 PolarHBondContact NH2-OD1 2.94Å; R104-V232 PolarHBondContact NH2-O 3.05Å; R104-A329 PolarHBondContact NH2-O 2.75Å
105R87.8Confident84.7Confident199 Ų19981.5 Ų81.575%0.75144%0.444SS*.  trans-113.6-2.5-169.7-64.1-168.4-174.9-177.42.6114.1D231R105-D231 PolarHBondContact N-OD2 2.82Å
106G88.6Confident84.1Confident18 Ų1888.9 Ų88.919%0.18648%0.484CS..SBendtrans-71.3174.717200000112Y229 D231G106-Y229 PolarHBondContact N-OH 3.39Å; G106-D231 VanDerWaalsContact CA-OD2 3.26Å; G106-D231 WeakPolarHBondContact CA-OD2 3.42Å; G106-D231 PolarHBondContact N-OD2 3.4Å
107S93.6Very high84.6Confident72 Ų7287.1 Ų87.150%0.50349%0.485SS..EExtended strand (participates in β ladder)trans-65.2144.2169.5-57.80000109.2Y229 V230 D231S107-Y229 PolarHBondContact N-O 3.28Å; S107-V230 WeakPolarHBondContact O-CA 3.49Å; S107-V230 WeakPolarHBondContact O-CG1 3.1Å; S107-D231 PolarHBondContact O-N 2.96Å
108S90.8Very high85.5Confident108 Ų10885.6 Ų85.676%0.75547%0.473SS*.EExtended strand (participates in β ladder)trans-70.7135177.9-54.10000111L110S108-L110 PolarHBondContact O-N 3.41Å
109F92.3Very high85.9Confident14 Ų1486.6 Ų86.66%0.06149%0.485CS..PPolyproline II helixtrans-67129.3168.7-175.8-105.7000110.4V230 D231 A239 E242 A243 Y331F109-V230 HydrophobicContact CB-CG1 3.87Å; F109-V230 HydrophobicContact CD2-CG1 4.17Å; F109-D231 WeakPolarHBondContact CB-O 3.46Å; F109-D231 PolarHBondContact N-O 3.12Å; F109-A239 HydrophobicContact CD1-CB 4.01Å; F109-A239 HydrophobicContact CE1-CB 4.09Å; F109-E242 HydrophobicContact CE1-CB 4.31Å; F109-E242 HydrophobicContact CE1-CG 4.4Å; F109-E242 HydrophobicContact CZ-CB 4.13Å; F109-E242 HydrophobicContact CZ-CG 3.96Å; F109-A243 HydrophobicContact CE2-CB 3.97Å; F109-A243 HydrophobicContact CZ-CB 4.1Å; F109-Y331 AromaticContact CD2-CE1 3.94Å; F109-Y331 HydrophobicContact CD2-CE1 3.94Å; F109-Y331 HydrophobicContact CE2-CE1 4.31Å
110L88.9Confident86.3Confident127 Ų12788.5 Ų88.567%0.66550%0.499SS*.  trans-105.5110.3174.3-17282.2000108S108 L112S108-L110 PolarHBondContact O-N 3.41Å; L110-L112 HydrophobicContact CD2-CD2 3.61Å; L110-L112 HydrophobicContact CD2-CG 4.27Å; L110-L112 HydrophobicContact CG-CD2 4.21Å; L110-L112 PolarHBondContact O-N 3.12Å
111S85.8Confident86.8Confident67 Ų6791 Ų9147%0.46952%0.516SS..  trans-67.7125.31711770000109.5F113 E242S111-F113 PolarHBondContact OG-O 3.02Å; S111-E242 VanDerWaalsContact CA-OE2 3.3Å; S111-E242 WeakPolarHBondContact CA-OE2 3.48Å; S111-E242 WeakPolarHBondContact CB-OE2 3.06Å; S111-E242 PolarHBondContact OG-OE2 3.12Å
112L83.5Confident87.3Confident130 Ų13086.8 Ų86.868%0.68149%0.485SS*.  trans-116.6-18-178.4-69.1177.7000112.4L110 E242L110-L112 HydrophobicContact CD2-CD2 3.61Å; L110-L112 HydrophobicContact CD2-CG 4.27Å; L110-L112 HydrophobicContact CG-CD2 4.21Å; L110-L112 PolarHBondContact O-N 3.12Å; L112-E242 PolarHBondContact N-OE1 2.99Å
113F80.5Confident87.9Confident101 Ų10183.3 Ų83.344%0.44347%0.467SS..SBendtrans-114.4147.2-177.5-63.1-82.9000111.4S111 L118 E242 T246S111-F113 PolarHBondContact OG-O 3.02Å; F113-L118 HydrophobicContact CB-CD2 4.05Å; F113-L118 HydrophobicContact CG-CD2 4.44Å; F113-E242 HydrophobicContact CB-CG 4.37Å; F113-E242 HydrophobicContact CD2-CG 4.27Å; F113-E242 WeakPolarHBondContact CD2-OE1 3.22Å; F113-E242 PolarHBondContact N-OE1 3.03Å; F113-T246 HydrophobicContact CD2-CG2 3.89Å; F113-T246 HydrophobicContact CE2-CG2 3.88Å
114N74Confident88.7Confident117 Ų11780.1 Ų80.163%0.62644%0.443SS*.  trans-75.6147.5165-58-66.7000109.1N116 D117N114-N116 PolarHBondContact O-N 3.22Å; N114-D117 WeakPolarHBondContact CB-OD2 3.3Å; N114-D117 PolarHBondContact ND2-OD2 2.8Å; N114-D117 WeakPolarHBondContact O-CB 3.17Å; N114-D117 PolarHBondContact O-N 3.45Å
115A69.3Low89.3Confident36 Ų3681.3 Ų81.330%0.29845%0.447SS..G310 helixtrans-56-25.7179.300000114.1D117A115-D117 VanDerWaalsContact C-N 3.34Å
116N75.3Confident89.5Confident156 Ų15678 Ų7883%0.83444%0.444SS*.G310 helixtrans-75.6-18.6177.4-68.9-27.5000114N114 L118N114-N116 PolarHBondContact O-N 3.22Å; N116-L118 VanDerWaalsContact C-N 3.34Å
117D87.9Confident89.9Confident109 Ų10983.7 Ų83.758%0.58346%0.464SS*.G310 helixtrans-88.8-8.4-179.4-59.1-38.9000111.8N114 A115N114-D117 WeakPolarHBondContact CB-OD2 3.3Å; N114-D117 PolarHBondContact ND2-OD2 2.8Å; N114-D117 WeakPolarHBondContact O-CB 3.17Å; N114-D117 PolarHBondContact O-N 3.45Å; A115-D117 VanDerWaalsContact C-N 3.34Å
118L94.1Very high90Very high16 Ų1681.6 Ų81.68%0.08445%0.453CS..SBendtrans-82.4150.6179.4-59.1177.9000111.5F113 N116 K241 E242 A245 T246F113-L118 HydrophobicContact CB-CD2 4.05Å; F113-L118 HydrophobicContact CG-CD2 4.44Å; N116-L118 VanDerWaalsContact C-N 3.34Å; L118-K241 HydrophobicContact CD1-CB 4.46Å; L118-K241 HydrophobicContact CD1-CD 4.26Å; L118-K241 HydrophobicContact CD1-CG 4.08Å; L118-E242 HydrophobicContact CD1-CB 3.92Å; L118-E242 HydrophobicContact CD1-CG 4.44Å; L118-E242 HydrophobicContact CD2-CG 4.3Å; L118-A245 HydrophobicContact CD2-CB 3.98Å; L118-T246 HydrophobicContact CD2-CG2 4.12Å
119P95.8Very high90.3Very high68 Ų6878.3 Ų78.344%0.44243%0.425SS..  trans-51.4147.6170.9-24.433.6000111.9S121 V122 Y288P119-S121 PolarHBondContact O-N 3.36Å; P119-V122 HydrophobicContact CB-CG2 4.11Å; P119-V122 HydrophobicContact CG-CG2 4.32Å; P119-Y288 VanDerWaalsContact O-CE2 3.28Å; P119-Y288 WeakPolarHBondContact O-CE2 3.06Å; P119-Y288 PolarHBondContact O-OH 3.05Å; P119-Y288 VanDerWaalsContact O-OH 3.06Å
120T95.6Very high90.6Very high119 Ų11978.5 Ų78.573%0.7343%0.427SS*.SBendtrans-69.9-25.6176.551.80000112.5
121S97.6Very high91Very high71 Ų7173.1 Ų73.150%0.49740%0.399SS..  trans-147.7144.6177.558.40000111P119 Y288P119-S121 PolarHBondContact O-N 3.36Å; S121-Y288 CarbonylContact C-O 3.57Å; S121-Y288 VanDerWaalsContact CA-O 3.23Å; S121-Y288 WeakPolarHBondContact CA-O 3.42Å
122V98.2Very high91.6Very high21 Ų2176.9 Ų76.913%0.12741%0.414CS..EExtended strand (participates in β ladder)trans-133136.8174.7172.60000108.3P119 W124 V244 A245 G287 Y288P119-V122 HydrophobicContact CB-CG2 4.11Å; P119-V122 HydrophobicContact CG-CG2 4.32Å; V122-W124 HydrophobicContact CG1-CD2 4.24Å; V122-W124 HydrophobicContact CG1-CG 4.27Å; V122-W124 HydrophobicContact CG1-CZ2 4.29Å; V122-V244 HydrophobicContact CG1-CG1 4.37Å; V122-A245 HydrophobicContact CG2-CB 4.37Å; V122-G287 CarbonylContact O-C 3.52Å; V122-G287 WeakPolarHBondContact O-CA 3.3Å; V122-Y288 HydrophobicContact CB-CD1 4.24Å; V122-Y288 HydrophobicContact CB-CE1 3.91Å; V122-Y288 HydrophobicContact CG2-CE1 3.75Å; V122-Y288 HydrophobicContact CG2-CE2 4.2Å; V122-Y288 WeakPolarHBondContact CG2-OH 3.09Å; V122-Y288 PolarHBondContact N-O 2.78Å; V122-Y288 PolarHBondContact O-N 2.78Å; V122-Y288 VanDerWaalsContact O-O 3.14Å
123D98.6Very high92.3Very high35 Ų3571.6 Ų71.619%0.18739%0.387CS..EExtended strand (participates in β ladder)trans-138.7108.5168.9-167.3-27.3000108.7R125 L298D123-R125 VanDerWaalsContact C-N 3.26Å; D123-R125 PolarHBondContact O-N 3.36Å; D123-R125 WeakPolarHBondContact OD1-CB 3.2Å; D123-R125 VanDerWaalsContact OD1-CG 3.24Å; D123-R125 WeakPolarHBondContact OD1-CG 3.49Å; D123-R125 IonicContact OD1-CZ 2.86Å; D123-R125 PolarHBondContact OD1-N 2.85Å; D123-R125 IonicContact OD1-NE 3.2Å; D123-R125 PolarHBondContact OD1-NE 3.25Å; D123-R125 IonicContact OD1-NH2 3.39Å; D123-R125 IonicContact OD2-CZ 2.68Å; D123-R125 VanDerWaalsContact OD2-CZ 3.31Å; D123-R125 IonicContact OD2-NE 3.86Å; D123-R125 PolarHBondContact OD2-NE 2.89Å; D123-R125 VanDerWaalsContact OD2-NE 3.12Å; D123-R125 IonicContact OD2-NH2 3.09Å; D123-R125 PolarHBondContact OD2-NH2 3.42Å; D123-L298 HydrophobicContact CB-CD2 4.38Å; D123-L298 VanDerWaalsContact OD2-CD2 3.32Å; D123-L298 WeakPolarHBondContact OD2-CD2 3.48Å
124W98.6Very high93.2Very high31 Ų3168.4 Ų68.412%0.11737%0.373CS..SBendtrans-75.8-13.8-177.4-76.3120.7000113.5V122 K127 G128 Y129 V130 V244 G248 P249 V286V122-W124 HydrophobicContact CG1-CD2 4.24Å; V122-W124 HydrophobicContact CG1-CG 4.27Å; V122-W124 HydrophobicContact CG1-CZ2 4.29Å; W124-K127 HydrophobicContact CE3-CB 3.88Å; W124-K127 HydrophobicContact CE3-CG 4.11Å; W124-K127 HydrophobicContact CZ3-CB 4.25Å; W124-K127 HydrophobicContact CZ3-CG 4.35Å; W124-K127 PolarHBondContact O-N 3.5Å; W124-G128 PolarHBondContact O-N 3.04Å; W124-Y129 HydrophobicContact CD2-CD1 4.29Å; W124-Y129 HydrophobicContact CD2-CD2 4.48Å; W124-Y129 HydrophobicContact CD2-CG 4.16Å; W124-Y129 AromaticContact CE3-CD1 3.77Å; W124-Y129 HydrophobicContact CE3-CD1 3.77Å; W124-Y129 AromaticContact CE3-CD2 3.4Å; W124-Y129 HydrophobicContact CE3-CD2 3.4Å; W124-Y129 VanDerWaalsContact CE3-CD2 3.4Å; W124-Y129 AromaticContact CE3-CE1 3.99Å; W124-Y129 HydrophobicContact CE3-CE1 3.99Å; W124-Y129 AromaticContact CE3-CE2 3.68Å; W124-Y129 HydrophobicContact CE3-CE2 3.68Å; W124-Y129 AromaticContact CE3-CG 3.47Å; W124-Y129 HydrophobicContact CE3-CG 3.47Å; W124-Y129 VanDerWaalsContact CE3-CG 3.47Å; W124-Y129 AromaticContact CE3-CZ 3.97Å; W124-Y129 HydrophobicContact CH2-CE1 4.28Å; W124-Y129 HydrophobicContact CZ3-CD1 4.03Å; W124-Y129 AromaticContact CZ3-CD2 3.72Å; W124-Y129 HydrophobicContact CZ3-CD2 3.72Å; W124-Y129 AromaticContact CZ3-CE1 3.74Å; W124-Y129 HydrophobicContact CZ3-CE1 3.74Å; W124-Y129 AromaticContact CZ3-CE2 3.44Å; W124-Y129 HydrophobicContact CZ3-CE2 3.44Å; W124-Y129 VanDerWaalsContact CZ3-CE2 3.44Å; W124-Y129 HydrophobicContact CZ3-CG 4.02Å; W124-Y129 AromaticContact CZ3-CZ 3.46Å; W124-Y129 VanDerWaalsContact CZ3-CZ 3.46Å; W124-Y129 PolarHBondContact O-N 3.38Å; W124-V130 HydrophobicContact CB-CG2 3.79Å; W124-V244 WeakPolarHBondContact CZ2-O 3.3Å; W124-V244 PolarHBondContact NE1-O 3.29Å; W124-G248 VanDerWaalsContact NE1-C 3.33Å; W124-P249 HydrophobicContact CB-CG 4.02Å; W124-P249 HydrophobicContact CG-CG 4.12Å; W124-V286 VanDerWaalsContact CB-O 3.28Å; W124-V286 WeakPolarHBondContact CB-O 3.38Å; W124-V286 PolarHBondContact N-O 3.47Å
125R97.6Very high94.3Very high93 Ų9364.9 Ų64.935%0.35135%0.354SS..G310 helixtrans-64.3-44.1176.3-56.3175.9-63177.12.5110.4D123 K127 G128 V130 Y312D123-R125 VanDerWaalsContact C-N 3.26Å; D123-R125 PolarHBondContact O-N 3.36Å; D123-R125 WeakPolarHBondContact OD1-CB 3.2Å; D123-R125 VanDerWaalsContact OD1-CG 3.24Å; D123-R125 WeakPolarHBondContact OD1-CG 3.49Å; D123-R125 IonicContact OD1-CZ 2.86Å; D123-R125 PolarHBondContact OD1-N 2.85Å; D123-R125 IonicContact OD1-NE 3.2Å; D123-R125 PolarHBondContact OD1-NE 3.25Å; D123-R125 IonicContact OD1-NH2 3.39Å; D123-R125 IonicContact OD2-CZ 2.68Å; D123-R125 VanDerWaalsContact OD2-CZ 3.31Å; D123-R125 IonicContact OD2-NE 3.86Å; D123-R125 PolarHBondContact OD2-NE 2.89Å; D123-R125 VanDerWaalsContact OD2-NE 3.12Å; D123-R125 IonicContact OD2-NH2 3.09Å; D123-R125 PolarHBondContact OD2-NH2 3.42Å; R125-K127 PolarHBondContact O-N 3.03Å; R125-K127 VanDerWaalsContact O-N 3.09Å; R125-G128 PolarHBondContact O-N 3.04Å; R125-V130 HydrophobicContact CG-CB 4.23Å; R125-V130 HydrophobicContact CG-CG1 4.36Å; R125-V130 HydrophobicContact CG-CG2 4.25Å; R125-Y312 HydrophobicContact CG-CE1 4.26Å
126D93.7Very high95.4Very high129 Ų12963.3 Ų63.369%0.6934%0.341SS*.G310 helixtrans-70.4-6.8180-63.5-17.4000113.5
127K96.4Very high96.2Very high138 Ų13861.1 Ų61.160%0.632%0.324SS*.G310 helixtrans-110.3-1.7-177.8-56.1-57.8179.6-170.40113.4W124 R125 Y129 F156W124-K127 HydrophobicContact CE3-CB 3.88Å; W124-K127 HydrophobicContact CE3-CG 4.11Å; W124-K127 HydrophobicContact CZ3-CB 4.25Å; W124-K127 HydrophobicContact CZ3-CG 4.35Å; W124-K127 PolarHBondContact O-N 3.5Å; R125-K127 PolarHBondContact O-N 3.03Å; R125-K127 VanDerWaalsContact O-N 3.09Å; K127-Y129 HydrophobicContact CB-CD2 3.71Å; K127-Y129 HydrophobicContact CB-CE2 4.04Å; K127-Y129 WeakPolarHBondContact O-CD2 3.23Å; K127-F156 VanDerWaalsContact O-CE1 3.23Å; K127-F156 WeakPolarHBondContact O-CE1 3.41Å
128G94.7Very high96.3Very high27 Ų2762 Ų6228%0.27833%0.328SS..THydrogen-bonded Turntrans80.916.5179.200000115W124 R125 F156 L162W124-G128 PolarHBondContact O-N 3.04Å; R125-G128 PolarHBondContact O-N 3.04Å; G128-F156 WeakPolarHBondContact O-CD1 3.41Å; G128-F156 WeakPolarHBondContact O-CD2 3.42Å; G128-F156 WeakPolarHBondContact O-CE2 3.44Å; G128-F156 VanDerWaalsContact O-CG 3.31Å; G128-F156 WeakPolarHBondContact O-CG 3.41Å; G128-L162 WeakPolarHBondContact O-CD2 3.49Å
129Y98.1Very high96.2Very high40 Ų4061.3 Ų61.316%0.15733%0.325CS..  trans-89.8-5.2-178.3-81.1-115.8000113.2W124 K127 G153 F156 R157W124-Y129 HydrophobicContact CD2-CD1 4.29Å; W124-Y129 HydrophobicContact CD2-CD2 4.48Å; W124-Y129 HydrophobicContact CD2-CG 4.16Å; W124-Y129 AromaticContact CE3-CD1 3.77Å; W124-Y129 HydrophobicContact CE3-CD1 3.77Å; W124-Y129 AromaticContact CE3-CD2 3.4Å; W124-Y129 HydrophobicContact CE3-CD2 3.4Å; W124-Y129 VanDerWaalsContact CE3-CD2 3.4Å; W124-Y129 AromaticContact CE3-CE1 3.99Å; W124-Y129 HydrophobicContact CE3-CE1 3.99Å; W124-Y129 AromaticContact CE3-CE2 3.68Å; W124-Y129 HydrophobicContact CE3-CE2 3.68Å; W124-Y129 AromaticContact CE3-CG 3.47Å; W124-Y129 HydrophobicContact CE3-CG 3.47Å; W124-Y129 VanDerWaalsContact CE3-CG 3.47Å; W124-Y129 AromaticContact CE3-CZ 3.97Å; W124-Y129 HydrophobicContact CH2-CE1 4.28Å; W124-Y129 HydrophobicContact CZ3-CD1 4.03Å; W124-Y129 AromaticContact CZ3-CD2 3.72Å; W124-Y129 HydrophobicContact CZ3-CD2 3.72Å; W124-Y129 AromaticContact CZ3-CE1 3.74Å; W124-Y129 HydrophobicContact CZ3-CE1 3.74Å; W124-Y129 AromaticContact CZ3-CE2 3.44Å; W124-Y129 HydrophobicContact CZ3-CE2 3.44Å; W124-Y129 VanDerWaalsContact CZ3-CE2 3.44Å; W124-Y129 HydrophobicContact CZ3-CG 4.02Å; W124-Y129 AromaticContact CZ3-CZ 3.46Å; W124-Y129 VanDerWaalsContact CZ3-CZ 3.46Å; W124-Y129 PolarHBondContact O-N 3.38Å; K127-Y129 HydrophobicContact CB-CD2 3.71Å; K127-Y129 HydrophobicContact CB-CE2 4.04Å; K127-Y129 WeakPolarHBondContact O-CD2 3.23Å; Y129-G153 WeakPolarHBondContact CD1-O 3.41Å; Y129-G153 WeakPolarHBondContact O-CA 3.45Å; Y129-F156 HydrophobicContact CD1-CD1 4.08Å; Y129-F156 AromaticContact CD2-CD1 3.32Å; Y129-F156 HydrophobicContact CD2-CD1 3.32Å; Y129-F156 AromaticContact CD2-CE1 3.42Å; Y129-F156 HydrophobicContact CD2-CE1 3.42Å; Y129-F156 VanDerWaalsContact CD2-CE1 3.42Å; Y129-F156 HydrophobicContact CE1-CD1 4.22Å; Y129-F156 AromaticContact CE2-CD1 3.46Å; Y129-F156 HydrophobicContact CE2-CD1 3.46Å; Y129-F156 VanDerWaalsContact CE2-CD1 3.46Å; Y129-F156 AromaticContact CE2-CE1 3.41Å; Y129-F156 HydrophobicContact CE2-CE1 3.41Å; Y129-F156 VanDerWaalsContact CE2-CE1 3.41Å; Y129-F156 AromaticContact CG-CD1 3.64Å; Y129-F156 HydrophobicContact CG-CD1 3.64Å; Y129-F156 HydrophobicContact CG-CE1 4.21Å; Y129-F156 AromaticContact CZ-CD1 3.91Å; Y129-R157 HydrophobicContact CE1-CB 3.66Å; Y129-R157 HydrophobicContact CE1-CG 4.08Å
130V98.4Very high96.2Very high17 Ų1758.3 Ų58.310%0.10331%0.306CS..  trans-128.9121.6-169.2-174.10000108.7W124 R125 P249 V286 K300W124-V130 HydrophobicContact CB-CG2 3.79Å; R125-V130 HydrophobicContact CG-CB 4.23Å; R125-V130 HydrophobicContact CG-CG1 4.36Å; R125-V130 HydrophobicContact CG-CG2 4.25Å; V130-P249 HydrophobicContact CG2-CG 4Å; V130-V286 HydrophobicContact CG1-CG1 4.13Å; V130-V286 HydrophobicContact CG2-CB 3.99Å; V130-V286 HydrophobicContact CG2-CG1 3.76Å; V130-K300 HydrophobicContact CG1-CD 3.65Å
131T98.3Very high96.2Very high15 Ų1552.6 Ų52.69%0.09227%0.271CS..PPolyproline II helixtrans-68.5172.7171.954.60000111.6E152 L162 K300T131-E152 WeakPolarHBondContact CB-OE2 3.42Å; T131-E152 HydrophobicContact CG2-CB 4.34Å; T131-E152 VanDerWaalsContact CG2-CD 3.49Å; T131-E152 HydrophobicContact CG2-CG 4.2Å; T131-E152 WeakPolarHBondContact CG2-OE2 2.98Å; T131-E152 PolarHBondContact OG1-OE2 3.18Å; T131-L162 HydrophobicContact CG2-CD1 3.96Å; T131-L162 HydrophobicContact CG2-CD2 4.04Å; T131-L162 HydrophobicContact CG2-CG 3.85Å; T131-K300 PolarHBondContact O-NZ 3.37Å; T131-K300 PolarHBondContact OG1-NZ 3.35Å
132D98.1Very high96.2Very high145 Ų14549.2 Ų49.278%0.77525%0.248SC*.PPolyproline II helixtrans-57.2153.8172.5-68.6-27.2000112K134 K300D132-K134 PolarHBondContact O-N 3.08Å; D132-K300 WeakPolarHBondContact O-CE 3.18Å; D132-K300 PolarHBondContact O-NZ 2.8Å
133V98.4Very high96.2Very high19 Ų1948.2 Ų48.212%0.11524%0.242CC..PPolyproline II helixtrans-66.3128.3173.2172.90000109.3K300 L305 Y312V133-K300 HydrophobicContact CG2-CG 4.22Å; V133-L305 HydrophobicContact CB-CD2 3.77Å; V133-L305 HydrophobicContact CG1-CD2 4.47Å; V133-L305 HydrophobicContact CG2-CD2 4.19Å; V133-Y312 HydrophobicContact CG2-CD2 4.09Å; V133-Y312 HydrophobicContact CG2-CE2 3.39Å
134K98.1Very high96.2Very high35 Ų3546.6 Ų46.615%0.15223%0.233CC..  trans-98.3178.6175.2-57.3-173.6-180-176.20111.2D132 F145 E152 S164 L165 E167 E203 S302 G304D132-K134 PolarHBondContact O-N 3.08Å; K134-F145 HydrophobicContact CB-CD1 3.72Å; K134-F145 HydrophobicContact CB-CE1 3.39Å; K134-F145 HydrophobicContact CD-CD1 3.89Å; K134-F145 HydrophobicContact CD-CE1 3.62Å; K134-F145 HydrophobicContact CG-CD1 4.38Å; K134-F145 HydrophobicContact CG-CE1 4.15Å; K134-E152 IonicContact NZ-OE1 2.7Å; K134-S164 WeakPolarHBondContact CE-OG 3.19Å; K134-S164 PolarHBondContact NZ-OG 2.66Å; K134-S164 VanDerWaalsContact NZ-OG 3.09Å; K134-L165 PolarHBondContact NZ-O 2.61Å; K134-E167 WeakPolarHBondContact CD-OE1 3.26Å; K134-E167 WeakPolarHBondContact CD-OE2 3.4Å; K134-E167 WeakPolarHBondContact CE-OE1 3.48Å; K134-E167 IonicContact NZ-OE1 3.65Å; K134-E167 PolarHBondContact NZ-OE1 2.99Å; K134-E167 IonicContact NZ-OE2 3.79Å; K134-E167 PolarHBondContact NZ-OE2 3.02Å; K134-E203 IonicContact NZ-OE2 3.53Å; K134-E203 PolarHBondContact NZ-OE2 2.74Å; K134-S302 CarbonylContact O-C 3.51Å; K134-S302 VanDerWaalsContact O-C 3.3Å; K134-G304 WeakPolarHBondContact O-CA 3.11Å; K134-G304 PolarHBondContact O-N 3.33Å
135D96.6Very high96.2Very high43 Ų4345.9 Ų45.923%0.2323%0.231CC..BIsolated β-bridgetrans-138.6111.2-176.9-171.8-12.3000110.7K137 Y208 S302D135-K137 HydrophobicContact CB-CD 4.41Å; D135-K137 PolarHBondContact O-N 2.78Å; D135-K137 PolarHBondContact OD1-N 3.18Å; D135-K137 WeakPolarHBondContact OD2-CE 3.43Å; D135-K137 IonicContact OD2-NZ 3.64Å; D135-K137 PolarHBondContact OD2-NZ 3.41Å; D135-Y208 WeakPolarHBondContact O-CE1 3.49Å; D135-S302 CarbonylContact C-O 3.58Å; D135-S302 VanDerWaalsContact CA-O 3.31Å; D135-S302 WeakPolarHBondContact CA-O 3.24Å
136Q94.1Very high96.2Very high3 Ų341.6 Ų41.61%0.01422%0.215CC..  trans-73.6-8.3-179.676.7-176.579.600113.6D138 C139 F145 Y208 S302Q136-D138 PolarHBondContact O-N 2.04Å; Q136-C139 PolarHBondContact NE2-O 2.89Å; Q136-C139 PolarHBondContact O-N 3.36Å; Q136-F145 HydrophobicContact CB-CD2 3.75Å; Q136-F145 HydrophobicContact CB-CE2 3.36Å; Q136-F145 HydrophobicContact CB-CZ 4.09Å; Q136-Y208 PolarHBondContact O-OH 3.01Å; Q136-S302 WeakPolarHBondContact CG-O 3.31Å; Q136-S302 PolarHBondContact N-O 2.83Å; Q136-S302 PolarHBondContact OE1-OG 2.8Å
137K92.2Very high96.5Very high109 Ų10935.4 Ų35.447%0.47418%0.182SC..THydrogen-bonded Turntrans53.9-138.6-178.2-50.8-62.1178-173.60111.6D135 C139 A210D135-K137 HydrophobicContact CB-CD 4.41Å; D135-K137 PolarHBondContact O-N 2.78Å; D135-K137 PolarHBondContact OD1-N 3.18Å; D135-K137 WeakPolarHBondContact OD2-CE 3.43Å; D135-K137 IonicContact OD2-NZ 3.64Å; D135-K137 PolarHBondContact OD2-NZ 3.41Å; K137-C139 VanDerWaalsContact C-N 3.25Å; K137-C139 PolarHBondContact O-N 3.37Å; K137-A210 HydrophobicContact CB-CB 3.89Å; K137-A210 HydrophobicContact CG-CB 4.09Å
138D89Confident96.6Very high127 Ų12728.9 Ų28.968%0.67915%0.154SC*.THydrogen-bonded Turntrans-89.718.4-178.1-61-33.6000112.7Q136Q136-D138 PolarHBondContact O-N 2.04Å
139C93.2Very high96.8Very high3 Ų327.8 Ų27.82%0.0214%0.142CC..SBendtrans-103.6132.8178.1170.80000111.2Q136 K137 S141 C182 Y208 A210Q136-C139 PolarHBondContact NE2-O 2.89Å; Q136-C139 PolarHBondContact O-N 3.36Å; K137-C139 VanDerWaalsContact C-N 3.25Å; K137-C139 PolarHBondContact O-N 3.37Å; C139-S141 PolarHBondContact O-N 3.19Å; C139-S141 PolarHBondContact O-OG 3.17Å; C139-S141 WeakPolarHBondContact SG-CB 3.38Å; C139-S141 PolarHBondContact SG-OG 2.96Å; C139-C182 HydrophobicContact CB-CB 3.96Å; C139-C182 WeakPolarHBondContact CB-SG 3.33Å; C139-C182 WeakPolarHBondContact SG-CA 3.22Å; C139-C182 WeakPolarHBondContact SG-CB 3.46Å; C139-C182 CovalentContact SG-SG 2.04Å; C139-C182 PolarHBondContact SG-SG 2.86Å; C139-Y208 WeakPolarHBondContact CB-OH 3.32Å; C139-Y208 PolarHBondContact SG-OH 3.45Å; C139-A210 HydrophobicContact CB-CB 4.09Å; C139-A210 WeakPolarHBondContact CB-O 3.4Å
140G94.4Very high96.8Very high4 Ų425.9 Ų25.94%0.04114%0.135CC..SBendtrans-72.851.3177.400000114.8G93 W143 C182G93-G140 CarbonylContact C-O 3.56Å; G93-G140 VanDerWaalsContact CA-CA 3.48Å; G93-G140 CarbonylContact O-C 3.34Å; G93-G140 VanDerWaalsContact O-C 3.3Å; G93-G140 WeakPolarHBondContact O-CA 3.28Å; G140-W143 VanDerWaalsContact O-CD1 3.31Å; G140-W143 PolarHBondContact O-NE1 3.23Å; G140-C182 WeakPolarHBondContact CA-O 3.31Å; G140-C182 PolarHBondContact N-O 2.93Å
141S96.4Very high96.8Very high0 Ų025.1 Ų25.10%013%0.13CC..  trans-113.315.6-170.655.30000113.5C139 W143 A144 F145 Y208C139-S141 PolarHBondContact O-N 3.19Å; C139-S141 PolarHBondContact O-OG 3.17Å; C139-S141 WeakPolarHBondContact SG-CB 3.38Å; C139-S141 PolarHBondContact SG-OG 2.96Å; S141-W143 PolarHBondContact O-N 2.77Å; S141-A144 WeakPolarHBondContact O-CA 3.41Å; S141-A144 VanDerWaalsContact O-CB 3.25Å; S141-A144 WeakPolarHBondContact O-CB 3.36Å; S141-A144 PolarHBondContact O-N 3.09Å; S141-F145 WeakPolarHBondContact O-CD2 3.27Å; S141-F145 PolarHBondContact O-N 3.21Å; S141-Y208 PolarHBondContact OG-OH 2.93Å
142C97Very high96.9Very high0 Ų024.5 Ų24.50%013%0.126CC..Hα-helixtrans-56.1-26.8179.4850000113.4C94 A144 F145 S146 H281 G282C94-C142 HydrophobicContact CB-CB 4.08Å; C94-C142 WeakPolarHBondContact CB-SG 3.42Å; C94-C142 VanDerWaalsContact SG-C 3.54Å; C94-C142 WeakPolarHBondContact SG-CA 3.5Å; C94-C142 WeakPolarHBondContact SG-CB 3.44Å; C94-C142 PolarHBondContact SG-N 2.63Å; C94-C142 CovalentContact SG-SG 1.97Å; C94-C142 PolarHBondContact SG-SG 2.92Å; C142-A144 VanDerWaalsContact C-N 3.3Å; C142-A144 PolarHBondContact O-N 3.29Å; C142-F145 PolarHBondContact O-N 2.96Å; C142-S146 WeakPolarHBondContact O-CB 3.18Å; C142-S146 PolarHBondContact O-N 3.44Å; C142-H281 WeakPolarHBondContact CB-CE1 3.33Å; C142-H281 VanDerWaalsContact SG-CE1 3.57Å; C142-H281 PolarHBondContact SG-ND1 3.15Å; C142-G282 WeakPolarHBondContact CB-O 3.42Å; C142-G282 PolarHBondContact SG-N 2.04Å; C142-G282 PolarHBondContact SG-O 3.04Å; C142-G282 VanDerWaalsContact SG-O 3.36Å
143W97.8Very high96.9Very high0 Ų017.6 Ų17.60%09%0.089CC..Hα-helixtrans-61.7-38.1171.663.9-93.4000111.4C94 L95 G140 S141 T147 L170 V171 S174 N179 G181 G185 M187 A190C94-W143 PolarHBondContact SG-N 3.49Å; L95-W143 HydrophobicContact CD2-CB 4.16Å; G140-W143 VanDerWaalsContact O-CD1 3.31Å; G140-W143 PolarHBondContact O-NE1 3.23Å; S141-W143 PolarHBondContact O-N 2.77Å; W143-T147 WeakPolarHBondContact O-CB 3.4Å; W143-T147 PolarHBondContact O-N 3.36Å; W143-T147 PolarHBondContact O-OG1 3.43Å; W143-L170 HydrophobicContact CH2-CB 3.83Å; W143-L170 WeakPolarHBondContact CH2-O 3.41Å; W143-L170 HydrophobicContact CZ3-CB 3.79Å; W143-V171 HydrophobicContact CZ2-CG2 4.49Å; W143-S174 VanDerWaalsContact CH2-OG 3.3Å; W143-S174 WeakPolarHBondContact CH2-OG 3.41Å; W143-N179 HydrophobicContact CH2-CB 3.67Å; W143-N179 HydrophobicContact CZ2-CB 3.89Å; W143-N179 HydrophobicContact CZ3-CB 4.09Å; W143-N179 WeakPolarHBondContact CZ3-ND2 3.47Å; W143-G181 PolarHBondContact NE1-O 3.25Å; W143-G181 VanDerWaalsContact NE1-O 3.12Å; W143-G185 WeakPolarHBondContact CB-O 3.43Å; W143-M187 HydrophobicContact CB-SD 4.21Å; W143-M187 WeakPolarHBondContact O-CG 3.47Å; W143-A190 HydrophobicContact CE3-CB 4.06Å; W143-A190 HydrophobicContact CZ3-CB 3.79Å
144A98.4Very high96.9Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-68.2-45.6175.100000110.6S141 C142 S146 T147 T148 E167 L170 V171S141-A144 WeakPolarHBondContact O-CA 3.41Å; S141-A144 VanDerWaalsContact O-CB 3.25Å; S141-A144 WeakPolarHBondContact O-CB 3.36Å; S141-A144 PolarHBondContact O-N 3.09Å; C142-A144 VanDerWaalsContact C-N 3.3Å; C142-A144 PolarHBondContact O-N 3.29Å; A144-S146 PolarHBondContact O-N 3.21Å; A144-T147 VanDerWaalsContact O-CB 3.3Å; A144-T147 WeakPolarHBondContact O-CB 3.48Å; A144-T147 PolarHBondContact O-N 3.06Å; A144-T147 VanDerWaalsContact O-N 3.13Å; A144-T148 PolarHBondContact O-N 3.24Å; A144-T148 PolarHBondContact O-OG1 3.41Å; A144-T148 VanDerWaalsContact O-OG1 3.1Å; A144-E167 HydrophobicContact CB-CB 3.91Å; A144-E167 HydrophobicContact CB-CG 4.12Å; A144-L170 HydrophobicContact CB-CB 3.92Å; A144-L170 HydrophobicContact CB-CD1 3.93Å; A144-V171 HydrophobicContact CB-CG2 4.46Å
145F98.8Very high96.9Very high17 Ų1715.9 Ų15.98%0.0758%0.081CC..Hα-helixtrans-62.7-39176.1-72.9-83.1000113.3K134 Q136 S141 C142 T147 T148 G149 E167 Y208K134-F145 HydrophobicContact CB-CD1 3.72Å; K134-F145 HydrophobicContact CB-CE1 3.39Å; K134-F145 HydrophobicContact CD-CD1 3.89Å; K134-F145 HydrophobicContact CD-CE1 3.62Å; K134-F145 HydrophobicContact CG-CD1 4.38Å; K134-F145 HydrophobicContact CG-CE1 4.15Å; Q136-F145 HydrophobicContact CB-CD2 3.75Å; Q136-F145 HydrophobicContact CB-CE2 3.36Å; Q136-F145 HydrophobicContact CB-CZ 4.09Å; S141-F145 WeakPolarHBondContact O-CD2 3.27Å; S141-F145 PolarHBondContact O-N 3.21Å; C142-F145 PolarHBondContact O-N 2.96Å; F145-T147 VanDerWaalsContact C-N 3.33Å; F145-T148 WeakPolarHBondContact CA-OG1 3.41Å; F145-T148 PolarHBondContact O-OG1 3.32Å; F145-T148 VanDerWaalsContact O-OG1 3.1Å; F145-G149 PolarHBondContact O-N 3.41Å; F145-E167 HydrophobicContact CB-CG 4.31Å; F145-E167 VanDerWaalsContact CD1-CD 3.46Å; F145-E167 HydrophobicContact CD1-CG 3.54Å; F145-E167 HydrophobicContact CD2-CB 4.5Å; F145-E167 HydrophobicContact CD2-CG 3.96Å; F145-E167 HydrophobicContact CE1-CB 4.32Å; F145-E167 VanDerWaalsContact CE1-CD 3.41Å; F145-E167 HydrophobicContact CE1-CG 3.63Å; F145-E167 WeakPolarHBondContact CE1-OE2 3.36Å; F145-E167 HydrophobicContact CE2-CB 4.22Å; F145-E167 HydrophobicContact CE2-CG 4.05Å; F145-E167 HydrophobicContact CG-CG 3.7Å; F145-E167 HydrophobicContact CZ-CB 4.13Å; F145-E167 HydrophobicContact CZ-CG 3.9Å; F145-Y208 HydrophobicContact CE2-CD2 4.3Å; F145-Y208 HydrophobicContact CE2-CE1 4.07Å; F145-Y208 AromaticContact CE2-CE2 3.72Å; F145-Y208 HydrophobicContact CE2-CE2 3.72Å; F145-Y208 AromaticContact CE2-CZ 3.59Å; F145-Y208 AromaticContact CZ-CD1 3.86Å; F145-Y208 HydrophobicContact CZ-CD1 3.86Å; F145-Y208 AromaticContact CZ-CD2 3.9Å; F145-Y208 HydrophobicContact CZ-CD2 3.9Å; F145-Y208 AromaticContact CZ-CE1 3.7Å; F145-Y208 HydrophobicContact CZ-CE1 3.7Å; F145-Y208 AromaticContact CZ-CE2 3.74Å; F145-Y208 HydrophobicContact CZ-CE2 3.74Å; F145-Y208 AromaticContact CZ-CG 3.94Å; F145-Y208 HydrophobicContact CZ-CG 3.94Å; F145-Y208 AromaticContact CZ-CZ 3.64Å
146S98.8Very high97Very high2 Ų215.9 Ų15.91%0.0148%0.079CC..Hα-helixtrans-65-39.7173.6-179.10000111.1C142 A144 S150 S251 V283C142-S146 WeakPolarHBondContact O-CB 3.18Å; C142-S146 PolarHBondContact O-N 3.44Å; A144-S146 PolarHBondContact O-N 3.21Å; S146-S150 WeakPolarHBondContact O-CB 3.32Å; S146-S150 PolarHBondContact O-N 3.29Å; S146-S251 PolarHBondContact O-OG 2.78Å; S146-S251 WeakPolarHBondContact OG-CA 3.4Å; S146-S251 WeakPolarHBondContact OG-CB 3.35Å; S146-S251 PolarHBondContact OG-OG 3.03Å; S146-V283 WeakPolarHBondContact CB-O 3.34Å; S146-V283 PolarHBondContact OG-O 3.07Å
147T98.9Very high97.1Very high0 Ų021.3 Ų21.30%010%0.1CC..Hα-helixtrans-64.2-54.4177-57.60000111.5W143 A144 F145 S150 L151 L170 M187 A190 F191 I194W143-T147 WeakPolarHBondContact O-CB 3.4Å; W143-T147 PolarHBondContact O-N 3.36Å; W143-T147 PolarHBondContact O-OG1 3.43Å; A144-T147 VanDerWaalsContact O-CB 3.3Å; A144-T147 WeakPolarHBondContact O-CB 3.48Å; A144-T147 PolarHBondContact O-N 3.06Å; A144-T147 VanDerWaalsContact O-N 3.13Å; F145-T147 VanDerWaalsContact C-N 3.33Å; T147-S150 PolarHBondContact O-N 3.47Å; T147-L151 PolarHBondContact O-N 3Å; T147-L170 HydrophobicContact CG2-CD1 3.75Å; T147-M187 VanDerWaalsContact OG1-CA 3.31Å; T147-M187 WeakPolarHBondContact OG1-CA 3.31Å; T147-A190 HydrophobicContact CG2-CB 3.49Å; T147-A190 VanDerWaalsContact CG2-CB 3.49Å; T147-A190 WeakPolarHBondContact OG1-CB 3.39Å; T147-F191 HydrophobicContact CG2-CD1 3.57Å; T147-F191 HydrophobicContact CG2-CE1 3.34Å; T147-F191 HydrophobicContact CG2-CG 4.5Å; T147-F191 HydrophobicContact CG2-CZ 4.11Å; T147-I194 HydrophobicContact CG2-CD1 3.84Å
148T98.9Very high97.3Very high1 Ų122.3 Ų22.31%0.00610%0.104CC..Hα-helixtrans-60.7-50-178.549.70000109.8A144 F145 S150 L151 E152 L165 E167 L170 I200A144-T148 PolarHBondContact O-N 3.24Å; A144-T148 PolarHBondContact O-OG1 3.41Å; A144-T148 VanDerWaalsContact O-OG1 3.1Å; F145-T148 WeakPolarHBondContact CA-OG1 3.41Å; F145-T148 PolarHBondContact O-OG1 3.32Å; F145-T148 VanDerWaalsContact O-OG1 3.1Å; T148-S150 VanDerWaalsContact C-N 3.25Å; T148-S150 PolarHBondContact O-N 2.9Å; T148-S150 VanDerWaalsContact O-N 3.15Å; T148-L151 CarbonylContact O-C 3.59Å; T148-L151 PolarHBondContact O-N 2.9Å; T148-E152 WeakPolarHBondContact O-CB 3.41Å; T148-E152 WeakPolarHBondContact O-CG 3.25Å; T148-E152 PolarHBondContact O-N 2.83Å; T148-L165 HydrophobicContact CG2-CB 3.96Å; T148-E167 VanDerWaalsContact CB-OE1 3.3Å; T148-E167 WeakPolarHBondContact CB-OE1 3.13Å; T148-E167 HydrophobicContact CG2-CG 3.85Å; T148-E167 PolarHBondContact OG1-OE1 3.02Å; T148-L170 HydrophobicContact CG2-CD1 3.95Å; T148-I200 HydrophobicContact CG2-CD1 4.1Å
149G98.8Very high97.7Very high4 Ų419.9 Ų19.94%0.0419%0.094CC..Hα-helixtrans-56.5-35.6-179.800000114.5F145 G153F145-G149 PolarHBondContact O-N 3.41Å; G149-G153 PolarHBondContact O-N 2.74Å
150S98.8Very high97.8Very high0 Ų022.3 Ų22.30%012%0.119CC..Hα-helixtrans-73.1-43.8175.7-170.40000111.6S146 T147 T148 G153 Q154 P249 S251 P332S146-S150 WeakPolarHBondContact O-CB 3.32Å; S146-S150 PolarHBondContact O-N 3.29Å; T147-S150 PolarHBondContact O-N 3.47Å; T148-S150 VanDerWaalsContact C-N 3.25Å; T148-S150 PolarHBondContact O-N 2.9Å; T148-S150 VanDerWaalsContact O-N 3.15Å; S150-G153 PolarHBondContact O-N 3.37Å; S150-Q154 WeakPolarHBondContact O-CG 3.39Å; S150-Q154 PolarHBondContact O-N 2.85Å; S150-P249 PolarHBondContact OG-O 2.63Å; S150-S251 WeakPolarHBondContact CB-OG 3.35Å; S150-P332 WeakPolarHBondContact OG-CD 3Å
151L98.8Very high97.9Very high0 Ų029.1 Ų29.10%015%0.148CC..Hα-helixtrans-67.7-34.9177.5-176.358.2000113.1T147 T148 Q154 T155 L165 I194 I200 A224 P332 V334T147-L151 PolarHBondContact O-N 3Å; T148-L151 CarbonylContact O-C 3.59Å; T148-L151 PolarHBondContact O-N 2.9Å; L151-Q154 PolarHBondContact O-N 3.3Å; L151-T155 VanDerWaalsContact O-CB 3.28Å; L151-T155 WeakPolarHBondContact O-CB 3.42Å; L151-T155 PolarHBondContact O-N 2.96Å; L151-T155 PolarHBondContact O-OG1 3.38Å; L151-L165 HydrophobicContact CB-CD1 3.89Å; L151-L165 HydrophobicContact CD2-CD1 3.72Å; L151-L165 HydrophobicContact CG-CD1 3.61Å; L151-I194 HydrophobicContact CD2-CD1 3.79Å; L151-I194 HydrophobicContact CD2-CG2 4.13Å; L151-I200 HydrophobicContact CD2-CG2 3.69Å; L151-A224 HydrophobicContact CD1-CB 4.49Å; L151-A224 HydrophobicContact CD2-CB 4.09Å; L151-A224 HydrophobicContact CG-CB 4.06Å; L151-P332 HydrophobicContact CB-CG 3.87Å; L151-P332 HydrophobicContact CD1-CB 3.97Å; L151-P332 HydrophobicContact CD1-CG 3.85Å; L151-P332 HydrophobicContact CG-CG 4.47Å; L151-V334 HydrophobicContact CD1-CG1 3.51Å
152E98.9Very high98Very high2 Ų232.2 Ų32.21%0.00916%0.164CC..Hα-helixtrans-58-50.5172.6-72171.5170.900110.5T131 K134 T148 Q154 T155 F156 L162 V163 S164 L165T131-E152 WeakPolarHBondContact CB-OE2 3.42Å; T131-E152 HydrophobicContact CG2-CB 4.34Å; T131-E152 VanDerWaalsContact CG2-CD 3.49Å; T131-E152 HydrophobicContact CG2-CG 4.2Å; T131-E152 WeakPolarHBondContact CG2-OE2 2.98Å; T131-E152 PolarHBondContact OG1-OE2 3.18Å; K134-E152 IonicContact NZ-OE1 2.7Å; T148-E152 WeakPolarHBondContact O-CB 3.41Å; T148-E152 WeakPolarHBondContact O-CG 3.25Å; T148-E152 PolarHBondContact O-N 2.83Å; E152-Q154 PolarHBondContact O-N 3.29Å; E152-T155 PolarHBondContact O-N 2.92Å; E152-F156 PolarHBondContact O-N 2.82Å; E152-L162 HydrophobicContact CB-CD1 4.43Å; E152-V163 WeakPolarHBondContact CG-O 3.35Å; E152-S164 WeakPolarHBondContact OE1-CA 3.18Å; E152-L165 HydrophobicContact CG-CB 4.21Å; E152-L165 HydrophobicContact CG-CD1 3.83Å; E152-L165 HydrophobicContact CG-CG 3.72Å; E152-L165 PolarHBondContact OE1-N 3.22Å
153G98.5Very high98Very high0 Ų034.2 Ų34.20%018%0.176CC..Hα-helixtrans-62.6-41.2177.500000113Y129 G149 S150 F156 R157Y129-G153 WeakPolarHBondContact CD1-O 3.41Å; Y129-G153 WeakPolarHBondContact O-CA 3.45Å; G149-G153 PolarHBondContact O-N 2.74Å; S150-G153 PolarHBondContact O-N 3.37Å; G153-F156 PolarHBondContact O-N 2.85Å; G153-R157 PolarHBondContact O-N 2.64Å
154Q98.4Very high98Very high7 Ų736.2 Ų36.23%0.03319%0.19CC..Hα-helixtrans-67.8-39.4175.6-66.5-49.5-57.400112.3S150 L151 E152 F156 R157 K158 I247 P332 V334S150-Q154 WeakPolarHBondContact O-CG 3.39Å; S150-Q154 PolarHBondContact O-N 2.85Å; L151-Q154 PolarHBondContact O-N 3.3Å; E152-Q154 PolarHBondContact O-N 3.29Å; Q154-F156 VanDerWaalsContact C-N 3.34Å; Q154-F156 PolarHBondContact O-N 2.86Å; Q154-R157 WeakPolarHBondContact O-CB 3.42Å; Q154-R157 PolarHBondContact O-N 2.72Å; Q154-K158 PolarHBondContact O-N 2.86Å; Q154-K158 VanDerWaalsContact O-N 3.07Å; Q154-I247 PolarHBondContact NE2-O 3.03Å; Q154-P332 HydrophobicContact CB-CG 4.41Å; Q154-P332 HydrophobicContact CG-CG 4.01Å; Q154-P332 WeakPolarHBondContact CG-O 3.25Å; Q154-V334 HydrophobicContact CB-CG1 3.79Å; Q154-V334 HydrophobicContact CB-CG2 3.99Å; Q154-V334 WeakPolarHBondContact O-CG2 3.1Å
155T98.1Very high98Very high12 Ų1236.2 Ų36.27%0.07419%0.19CC..Hα-helixtrans-63-42.9175.9-59.20000110.9L151 E152 K158 T159 A224L151-T155 VanDerWaalsContact O-CB 3.28Å; L151-T155 WeakPolarHBondContact O-CB 3.42Å; L151-T155 PolarHBondContact O-N 2.96Å; L151-T155 PolarHBondContact O-OG1 3.38Å; E152-T155 PolarHBondContact O-N 2.92Å; T155-K158 PolarHBondContact O-N 3.32Å; T155-T159 HydrophobicContact CG2-CG2 4.39Å; T155-T159 WeakPolarHBondContact O-CB 3.48Å; T155-T159 WeakPolarHBondContact O-CG2 3.41Å; T155-T159 PolarHBondContact O-N 2.93Å; T155-T159 PolarHBondContact O-OG1 2.84Å; T155-A224 HydrophobicContact CG2-CB 4.23Å; T155-A224 WeakPolarHBondContact OG1-CB 3.23Å
156F98.3Very high98Very high43 Ų4335.4 Ų35.419%0.18919%0.187CC..Hα-helixtrans-60.4-46173.5-178.9-98.8000111.5K127 G128 Y129 E152 G153 Q154 K158 T159 G160 L162K127-F156 VanDerWaalsContact O-CE1 3.23Å; K127-F156 WeakPolarHBondContact O-CE1 3.41Å; G128-F156 WeakPolarHBondContact O-CD1 3.41Å; G128-F156 WeakPolarHBondContact O-CD2 3.42Å; G128-F156 WeakPolarHBondContact O-CE2 3.44Å; G128-F156 VanDerWaalsContact O-CG 3.31Å; G128-F156 WeakPolarHBondContact O-CG 3.41Å; Y129-F156 HydrophobicContact CD1-CD1 4.08Å; Y129-F156 AromaticContact CD2-CD1 3.32Å; Y129-F156 HydrophobicContact CD2-CD1 3.32Å; Y129-F156 AromaticContact CD2-CE1 3.42Å; Y129-F156 HydrophobicContact CD2-CE1 3.42Å; Y129-F156 VanDerWaalsContact CD2-CE1 3.42Å; Y129-F156 HydrophobicContact CE1-CD1 4.22Å; Y129-F156 AromaticContact CE2-CD1 3.46Å; Y129-F156 HydrophobicContact CE2-CD1 3.46Å; Y129-F156 VanDerWaalsContact CE2-CD1 3.46Å; Y129-F156 AromaticContact CE2-CE1 3.41Å; Y129-F156 HydrophobicContact CE2-CE1 3.41Å; Y129-F156 VanDerWaalsContact CE2-CE1 3.41Å; Y129-F156 AromaticContact CG-CD1 3.64Å; Y129-F156 HydrophobicContact CG-CD1 3.64Å; Y129-F156 HydrophobicContact CG-CE1 4.21Å; Y129-F156 AromaticContact CZ-CD1 3.91Å; E152-F156 PolarHBondContact O-N 2.82Å; G153-F156 PolarHBondContact O-N 2.85Å; Q154-F156 VanDerWaalsContact C-N 3.34Å; Q154-F156 PolarHBondContact O-N 2.86Å; F156-K158 VanDerWaalsContact C-N 3.26Å; F156-K158 PolarHBondContact O-N 2.92Å; F156-T159 PolarHBondContact O-N 3.05Å; F156-G160 WeakPolarHBondContact CE2-O 3.36Å; F156-G160 VanDerWaalsContact O-CA 3.27Å; F156-G160 WeakPolarHBondContact O-CA 3.43Å; F156-G160 PolarHBondContact O-N 3.46Å; F156-L162 HydrophobicContact CB-CD1 4.08Å; F156-L162 HydrophobicContact CD2-CB 3.75Å; F156-L162 HydrophobicContact CE2-CB 4.37Å; F156-L162 HydrophobicContact CG-CB 4.49Å
157R96.8Very high98Very high116 Ų11635.4 Ų35.444%0.43819%0.186SC..Hα-helixtrans-54-42.5176.7-171.9-179.5176.6-168.66.2112.7Y129 G153 Q154 T246 I247Y129-R157 HydrophobicContact CE1-CB 3.66Å; Y129-R157 HydrophobicContact CE1-CG 4.08Å; G153-R157 PolarHBondContact O-N 2.64Å; Q154-R157 WeakPolarHBondContact O-CB 3.42Å; Q154-R157 PolarHBondContact O-N 2.72Å; R157-T246 PolarHBondContact NH2-O 3.41Å; R157-I247 WeakPolarHBondContact CD-O 3.32Å; R157-I247 PolarHBondContact NH1-O 2.76Å
158K96.7Very high98Very high131 Ų13135.4 Ų35.457%0.5719%0.186SC*.Hα-helixtrans-79.1-37-176.6178.1169-179.9165.90113.1Q154 T155 F156 V334Q154-K158 PolarHBondContact O-N 2.86Å; Q154-K158 VanDerWaalsContact O-N 3.07Å; T155-K158 PolarHBondContact O-N 3.32Å; F156-K158 VanDerWaalsContact C-N 3.26Å; F156-K158 PolarHBondContact O-N 2.92Å; K158-V334 HydrophobicContact CB-CG2 3.7Å; K158-V334 HydrophobicContact CD-CB 3.92Å; K158-V334 HydrophobicContact CD-CG2 3.64Å; K158-V334 WeakPolarHBondContact CD-O 3.3Å; K158-V334 HydrophobicContact CG-CG2 4.32Å; K158-V334 PolarHBondContact NZ-O 2.89Å; K158-V334 PolarHBondContact NZ-OXT 3.38Å
159T96.8Very high98Very high76 Ų7635.3 Ų35.347%0.46619%0.186SC..Hα-helixtrans-114-16.6-166.168.90000114.2T155 F156 K161T155-T159 HydrophobicContact CG2-CG2 4.39Å; T155-T159 WeakPolarHBondContact O-CB 3.48Å; T155-T159 WeakPolarHBondContact O-CG2 3.41Å; T155-T159 PolarHBondContact O-N 2.93Å; T155-T159 PolarHBondContact O-OG1 2.84Å; F156-T159 PolarHBondContact O-N 3.05Å; T159-K161 PolarHBondContact O-N 3.33Å; T159-K161 PolarHBondContact OG1-N 3.05Å; T159-K161 VanDerWaalsContact OG1-N 3.14Å; T159-K161 PolarHBondContact OG1-O 3.19Å
160G96.8Very high98Very high53 Ų5335.1 Ų35.155%0.54618%0.184SC..SBendtrans70.67.8-169.100000114.3F156F156-G160 WeakPolarHBondContact CE2-O 3.36Å; F156-G160 VanDerWaalsContact O-CA 3.27Å; F156-G160 WeakPolarHBondContact O-CA 3.43Å; F156-G160 PolarHBondContact O-N 3.46Å
161K95.9Very high98Very high147 Ų14735.5 Ų35.564%0.63919%0.186SC*.  trans-115.7121.9-179.5-64.2-177-179-178.90110.3T159T159-K161 PolarHBondContact O-N 3.33Å; T159-K161 PolarHBondContact OG1-N 3.05Å; T159-K161 VanDerWaalsContact OG1-N 3.14Å; T159-K161 PolarHBondContact OG1-O 3.19Å
162L97.4Very high98Very high65 Ų6536.5 Ų36.534%0.3419%0.192SC..  trans-90.9121.5176.7-17368.6000107.2G128 T131 E152 F156G128-L162 WeakPolarHBondContact O-CD2 3.49Å; T131-L162 HydrophobicContact CG2-CD1 3.96Å; T131-L162 HydrophobicContact CG2-CD2 4.04Å; T131-L162 HydrophobicContact CG2-CG 3.85Å; E152-L162 HydrophobicContact CB-CD1 4.43Å; F156-L162 HydrophobicContact CB-CD1 4.08Å; F156-L162 HydrophobicContact CD2-CB 3.75Å; F156-L162 HydrophobicContact CE2-CB 4.37Å; F156-L162 HydrophobicContact CG-CB 4.49Å
163V96.6Very high98Very high43 Ų4337.2 Ų37.226%0.26120%0.196SC..  trans-129.4124.6-176.2179.60000107.1E152 L165 T202E152-V163 WeakPolarHBondContact CG-O 3.35Å; V163-L165 HydrophobicContact CG1-CD2 4.22Å; V163-T202 HydrophobicContact CG1-CG2 3.62Å
164S98.7Very high98Very high42 Ų4237.2 Ų37.229%0.29420%0.196SC..  trans-70.2128.3173.4-173.20000109.8K134 E152 T202 E203K134-S164 WeakPolarHBondContact CE-OG 3.19Å; K134-S164 PolarHBondContact NZ-OG 2.66Å; K134-S164 VanDerWaalsContact NZ-OG 3.09Å; E152-S164 WeakPolarHBondContact OE1-CA 3.18Å; S164-T202 WeakPolarHBondContact O-CA 3.4Å; S164-E203 PolarHBondContact O-N 3.21Å; S164-E203 VanDerWaalsContact OG-CB 3.27Å; S164-E203 WeakPolarHBondContact OG-CB 3.43Å
165L98.9Very high97.9Very high0 Ų038.8 Ų38.80%022%0.215CC..BIsolated β-bridgetrans-105.3151.7-174.9-58177.2000111.4K134 T148 L151 E152 V163 E167 I200 A224K134-L165 PolarHBondContact NZ-O 2.61Å; T148-L165 HydrophobicContact CG2-CB 3.96Å; L151-L165 HydrophobicContact CB-CD1 3.89Å; L151-L165 HydrophobicContact CD2-CD1 3.72Å; L151-L165 HydrophobicContact CG-CD1 3.61Å; E152-L165 HydrophobicContact CG-CB 4.21Å; E152-L165 HydrophobicContact CG-CD1 3.83Å; E152-L165 HydrophobicContact CG-CG 3.72Å; E152-L165 PolarHBondContact OE1-N 3.22Å; V163-L165 HydrophobicContact CG1-CD2 4.22Å; L165-E167 PolarHBondContact O-N 2.84Å; L165-I200 HydrophobicContact CB-CD1 4.39Å; L165-I200 HydrophobicContact CB-CG2 4.44Å; L165-I200 HydrophobicContact CD1-CG2 3.96Å; L165-I200 HydrophobicContact CD2-CG2 4.16Å; L165-I200 HydrophobicContact CG-CG2 4.41Å; L165-A224 HydrophobicContact CD1-CB 3.66Å; L165-A224 HydrophobicContact CD2-CB 3.72Å; L165-A224 HydrophobicContact CG-CB 4.35Å
166S98.9Very high97.9Very high0 Ų046.1 Ų46.10%025%0.253CS..  trans-76.5110.3-173.3177.40000113.2Q168 Q169 I200 D201 Y206S166-Q168 VanDerWaalsContact C-N 3.26Å; S166-Q168 PolarHBondContact OG-N 3.12Å; S166-Q169 PolarHBondContact OG-N 3.48Å; S166-I200 WeakPolarHBondContact O-CD1 3.39Å; S166-D201 PolarHBondContact N-O 2.95Å; S166-Y206 VanDerWaalsContact CB-O 3.26Å; S166-Y206 WeakPolarHBondContact CB-O 3.41Å; S166-Y206 WeakPolarHBondContact OG-CB 3.42Å; S166-Y206 PolarHBondContact OG-O 2.72Å
167E98.9Very high97.8Very high1 Ų148.2 Ų48.21%0.00526%0.261CS..Hα-helixtrans-66.7-32.6166.8-67.482.1-157.600111.8K134 A144 F145 T148 L165 Q169 L170 V171 Y208K134-E167 WeakPolarHBondContact CD-OE1 3.26Å; K134-E167 WeakPolarHBondContact CD-OE2 3.4Å; K134-E167 WeakPolarHBondContact CE-OE1 3.48Å; K134-E167 IonicContact NZ-OE1 3.65Å; K134-E167 PolarHBondContact NZ-OE1 2.99Å; K134-E167 IonicContact NZ-OE2 3.79Å; K134-E167 PolarHBondContact NZ-OE2 3.02Å; A144-E167 HydrophobicContact CB-CB 3.91Å; A144-E167 HydrophobicContact CB-CG 4.12Å; F145-E167 HydrophobicContact CB-CG 4.31Å; F145-E167 VanDerWaalsContact CD1-CD 3.46Å; F145-E167 HydrophobicContact CD1-CG 3.54Å; F145-E167 HydrophobicContact CD2-CB 4.5Å; F145-E167 HydrophobicContact CD2-CG 3.96Å; F145-E167 HydrophobicContact CE1-CB 4.32Å; F145-E167 VanDerWaalsContact CE1-CD 3.41Å; F145-E167 HydrophobicContact CE1-CG 3.63Å; F145-E167 WeakPolarHBondContact CE1-OE2 3.36Å; F145-E167 HydrophobicContact CE2-CB 4.22Å; F145-E167 HydrophobicContact CE2-CG 4.05Å; F145-E167 HydrophobicContact CG-CG 3.7Å; F145-E167 HydrophobicContact CZ-CB 4.13Å; F145-E167 HydrophobicContact CZ-CG 3.9Å; T148-E167 VanDerWaalsContact CB-OE1 3.3Å; T148-E167 WeakPolarHBondContact CB-OE1 3.13Å; T148-E167 HydrophobicContact CG2-CG 3.85Å; T148-E167 PolarHBondContact OG1-OE1 3.02Å; L165-E167 PolarHBondContact O-N 2.84Å; E167-Q169 VanDerWaalsContact C-N 3.32Å; E167-Q169 PolarHBondContact O-N 3.41Å; E167-L170 WeakPolarHBondContact O-CA 3.48Å; E167-L170 WeakPolarHBondContact O-CB 3.22Å; E167-L170 PolarHBondContact O-N 3.43Å; E167-V171 PolarHBondContact O-N 2.63Å; E167-Y208 HydrophobicContact CB-CD2 3.89Å; E167-Y208 HydrophobicContact CB-CE2 4.23Å
168Q98.9Very high97.7Very high0 Ų044.3 Ų44.30%026%0.257CS..Hα-helixtrans-63.3-37.9-177.4-16360.24700112.3S166 L170 V171 D172 Y206 P207 Y208 E209 E211S166-Q168 VanDerWaalsContact C-N 3.26Å; S166-Q168 PolarHBondContact OG-N 3.12Å; Q168-L170 PolarHBondContact O-N 3.09Å; Q168-V171 PolarHBondContact O-N 2.99Å; Q168-D172 PolarHBondContact NE2-OD1 3.42Å; Q168-D172 WeakPolarHBondContact O-CB 3.4Å; Q168-D172 VanDerWaalsContact O-CG 3.3Å; Q168-D172 PolarHBondContact O-N 2.93Å; Q168-Y206 HydrophobicContact CB-CD1 3.75Å; Q168-Y206 HydrophobicContact CB-CE1 3.75Å; Q168-Y206 HydrophobicContact CG-CD1 3.91Å; Q168-Y206 HydrophobicContact CG-CE1 3.46Å; Q168-Y206 VanDerWaalsContact CG-CE1 3.46Å; Q168-P207 WeakPolarHBondContact CB-O 3.42Å; Q168-Y208 HydrophobicContact CB-CD2 4.47Å; Q168-E209 HydrophobicContact CG-CB 4.45Å; Q168-E209 HydrophobicContact CG-CG 4.49Å; Q168-E211 PolarHBondContact NE2-O 3.38Å
169Q98.8Very high97.7Very high0 Ų038.4 Ų38.40%023%0.231CC..Hα-helixtrans-59.2-39.5172.9-178.7-178.1-20.300111.2S166 E167 C173 Y193 N197 G199 D201 Y206S166-Q169 PolarHBondContact OG-N 3.48Å; E167-Q169 VanDerWaalsContact C-N 3.32Å; E167-Q169 PolarHBondContact O-N 3.41Å; Q169-C173 HydrophobicContact CG-CB 4.34Å; Q169-C173 WeakPolarHBondContact O-CB 3.43Å; Q169-C173 PolarHBondContact O-N 2.84Å; Q169-C173 PolarHBondContact O-SG 3.17Å; Q169-C173 VanDerWaalsContact O-SG 3.35Å; Q169-Y193 HydrophobicContact CG-CE1 4.24Å; Q169-Y193 WeakPolarHBondContact CG-OH 3.49Å; Q169-Y193 PolarHBondContact NE2-OH 2.76Å; Q169-N197 PolarHBondContact NE2-ND2 2.86Å; Q169-N197 VanDerWaalsContact NE2-ND2 3.15Å; Q169-G199 PolarHBondContact NE2-O 2.84Å; Q169-D201 VanDerWaalsContact OE1-CB 3.25Å; Q169-Y206 HydrophobicContact CB-CD2 3.78Å; Q169-Y206 HydrophobicContact CB-CE2 3.85Å; Q169-Y206 HydrophobicContact CB-CG 4.39Å; Q169-Y206 HydrophobicContact CG-CD2 4.32Å; Q169-Y206 HydrophobicContact CG-CE2 4.19Å
170L98.8Very high97.7Very high0 Ų039.5 Ų39.50%023%0.233CC..Hα-helixtrans-65.6-47.2177.3-61.7179.5000110.3W143 A144 T147 T148 E167 Q168 D172 S174 A190 Y193 I194 I200W143-L170 HydrophobicContact CH2-CB 3.83Å; W143-L170 WeakPolarHBondContact CH2-O 3.41Å; W143-L170 HydrophobicContact CZ3-CB 3.79Å; A144-L170 HydrophobicContact CB-CB 3.92Å; A144-L170 HydrophobicContact CB-CD1 3.93Å; T147-L170 HydrophobicContact CG2-CD1 3.75Å; T148-L170 HydrophobicContact CG2-CD1 3.95Å; E167-L170 WeakPolarHBondContact O-CA 3.48Å; E167-L170 WeakPolarHBondContact O-CB 3.22Å; E167-L170 PolarHBondContact O-N 3.43Å; Q168-L170 PolarHBondContact O-N 3.09Å; L170-D172 VanDerWaalsContact C-N 3.32Å; L170-D172 PolarHBondContact O-N 3.38Å; L170-S174 WeakPolarHBondContact O-CB 3.5Å; L170-S174 PolarHBondContact O-N 2.79Å; L170-S174 PolarHBondContact O-OG 3.23Å; L170-A190 HydrophobicContact CD1-CB 4.16Å; L170-A190 HydrophobicContact CD2-CB 4.15Å; L170-Y193 HydrophobicContact CD2-CD1 3.65Å; L170-Y193 HydrophobicContact CD2-CE1 3.89Å; L170-I194 HydrophobicContact CD2-CD1 3.97Å; L170-I194 HydrophobicContact CD2-CG1 3.83Å; L170-I200 HydrophobicContact CD1-CD1 4.13Å; L170-I200 HydrophobicContact CD2-CD1 3.83Å; L170-I200 HydrophobicContact CG-CD1 3.81Å
171V98.5Very high97.6Very high8 Ų837.2 Ų37.25%0.04821%0.209CC..Hα-helixtrans-53.6-49.3176.8171.60000110.9W143 A144 E167 Q168W143-V171 HydrophobicContact CZ2-CG2 4.49Å; A144-V171 HydrophobicContact CB-CG2 4.46Å; E167-V171 PolarHBondContact O-N 2.63Å; Q168-V171 PolarHBondContact O-N 2.99Å
172D98.8Very high97.6Very high21 Ų2131.2 Ų31.211%0.11219%0.185CC..Hα-helixtrans-82.2-30.9-171.2-66-6000114Q168 L170 Y206 G213 R216Q168-D172 PolarHBondContact NE2-OD1 3.42Å; Q168-D172 WeakPolarHBondContact O-CB 3.4Å; Q168-D172 VanDerWaalsContact O-CG 3.3Å; Q168-D172 PolarHBondContact O-N 2.93Å; L170-D172 VanDerWaalsContact C-N 3.32Å; L170-D172 PolarHBondContact O-N 3.38Å; D172-Y206 WeakPolarHBondContact CB-OH 3.46Å; D172-Y206 PolarHBondContact OD2-OH 3.19Å; D172-G213 VanDerWaalsContact OD1-CA 3.23Å; D172-G213 WeakPolarHBondContact OD1-CA 3.44Å; D172-G213 PolarHBondContact OD1-N 2.98Å; D172-R216 IonicContact OD2-CZ 3.57Å; D172-R216 IonicContact OD2-NH1 3.93Å; D172-R216 PolarHBondContact OD2-NH1 3.27Å; D172-R216 IonicContact OD2-NH2 2.64Å
173C98.8Very high97.4Very high16 Ų1631.9 Ų31.911%0.10819%0.189CC..Hα-helixtrans-113.2-16.5-164.9-56.20000115.1Q169 G175 Y193 C215Q169-C173 HydrophobicContact CG-CB 4.34Å; Q169-C173 WeakPolarHBondContact O-CB 3.43Å; Q169-C173 PolarHBondContact O-N 2.84Å; Q169-C173 PolarHBondContact O-SG 3.17Å; Q169-C173 VanDerWaalsContact O-SG 3.35Å; C173-G175 VanDerWaalsContact C-N 3.32Å; C173-G175 PolarHBondContact O-N 3.27Å; C173-Y193 HydrophobicContact CB-CE1 4.22Å; C173-Y193 HydrophobicContact CB-CE2 3.75Å; C173-Y193 VanDerWaalsContact CB-CZ 3.42Å; C173-Y193 WeakPolarHBondContact CB-OH 3.48Å; C173-C215 HydrophobicContact CB-CB 3.84Å; C173-C215 WeakPolarHBondContact CB-SG 3.44Å; C173-C215 WeakPolarHBondContact SG-CA 3.21Å; C173-C215 WeakPolarHBondContact SG-CB 3.45Å; C173-C215 CovalentContact SG-SG 2.03Å; C173-C215 PolarHBondContact SG-SG 3.26Å
174S98.3Very high97.2Very high0 Ų029.9 Ų29.90%018%0.177CC..  trans-92.413.2-172.3720000114.6W143 L170 D176 Y177 N179W143-S174 VanDerWaalsContact CH2-OG 3.3Å; W143-S174 WeakPolarHBondContact CH2-OG 3.41Å; L170-S174 WeakPolarHBondContact O-CB 3.5Å; L170-S174 PolarHBondContact O-N 2.79Å; L170-S174 PolarHBondContact O-OG 3.23Å; S174-D176 PolarHBondContact O-N 2.83Å; S174-Y177 WeakPolarHBondContact O-CB 3.47Å; S174-Y177 PolarHBondContact O-N 3.45Å; S174-N179 WeakPolarHBondContact OG-CB 3.14Å; S174-N179 PolarHBondContact OG-ND2 3.05Å
175G97.3Very high97.1Very high41 Ų4127.9 Ų27.942%0.42316%0.163SC..G310 helixtrans-54.2-47.1-178.700000114C173 Y177 G178 N179C173-G175 VanDerWaalsContact C-N 3.32Å; C173-G175 PolarHBondContact O-N 3.27Å; G175-Y177 PolarHBondContact O-N 2.72Å; G175-G178 PolarHBondContact O-N 2.91Å; G175-N179 WeakPolarHBondContact CA-O 3.03Å
176D97.4Very high97Very high165 Ų16529.4 Ų29.488%0.88217%0.171SC*.G310 helixtrans-63.6-12.4179.2-70.1-18000113.7S174S174-D176 PolarHBondContact O-N 2.83Å
177Y96.3Very high96.9Very high87 Ų8729.8 Ų29.834%0.34117%0.173SC..G310 helixtrans-97.24.5177.3-65.1-98.1000112.8S174 G175 N189 K192 Y193 A196S174-Y177 WeakPolarHBondContact O-CB 3.47Å; S174-Y177 PolarHBondContact O-N 3.45Å; G175-Y177 PolarHBondContact O-N 2.72Å; Y177-N189 WeakPolarHBondContact O-CB 3.48Å; Y177-N189 PolarHBondContact O-ND2 3.43Å; Y177-K192 HydrophobicContact CD1-CB 3.81Å; Y177-K192 HydrophobicContact CE1-CB 4.31Å; Y177-Y193 AromaticContact CD2-CD2 3.84Å; Y177-Y193 HydrophobicContact CD2-CD2 3.84Å; Y177-Y193 HydrophobicContact CD2-CG 4.22Å; Y177-Y193 AromaticContact CE2-CD2 3.71Å; Y177-Y193 HydrophobicContact CE2-CD2 3.71Å; Y177-Y193 HydrophobicContact CE2-CG 4.39Å; Y177-A196 HydrophobicContact CE1-CB 3.95Å; Y177-A196 WeakPolarHBondContact OH-CB 3.39Å
178G94.9Very high96.9Very high35 Ų3531 Ų3136%0.36118%0.179SC..THydrogen-bonded Turntrans96.77.6175.200000114.9G175G175-G178 PolarHBondContact O-N 2.91Å
179N96.6Very high96.8Very high6 Ų632 Ų323%0.03219%0.185CC..  trans-84.7158.6168.4-62.4-32.8000109.9W143 S174 G175 G185 L186 N189 A190W143-N179 HydrophobicContact CH2-CB 3.67Å; W143-N179 HydrophobicContact CZ2-CB 3.89Å; W143-N179 HydrophobicContact CZ3-CB 4.09Å; W143-N179 WeakPolarHBondContact CZ3-ND2 3.47Å; S174-N179 WeakPolarHBondContact OG-CB 3.14Å; S174-N179 PolarHBondContact OG-ND2 3.05Å; G175-N179 WeakPolarHBondContact CA-O 3.03Å; N179-G185 WeakPolarHBondContact OD1-CA 3.29Å; N179-L186 PolarHBondContact OD1-N 2.99Å; N179-L186 PolarHBondContact OD1-O 3.18Å; N179-N189 WeakPolarHBondContact OD1-CB 3.42Å; N179-A190 PolarHBondContact ND2-N 2.8Å
180M95.9Very high96.8Very high100 Ų10032 Ų3249%0.49319%0.185SC..  trans-131.132.3-172.2-55.9177.8-175.700110.6C182 N183 G184M180-C182 PolarHBondContact O-N 3.49Å; M180-N183 HydrophobicContact CB-CB 4.01Å; M180-N183 WeakPolarHBondContact O-CA 3.39Å; M180-N183 VanDerWaalsContact O-CB 3.31Å; M180-N183 WeakPolarHBondContact O-CB 3.48Å; M180-N183 PolarHBondContact O-N 3.41Å; M180-G184 CarbonylContact C-O 3.3Å; M180-G184 WeakPolarHBondContact CA-O 3.47Å; M180-G184 WeakPolarHBondContact CB-O 3.32Å; M180-G184 PolarHBondContact N-O 2.91Å
181G95.5Very high96.8Very high4 Ų432 Ų324%0.04119%0.185CC..G310 helixtrans55.9-123.2-18000000112.7W143 N183 G184 D212W143-G181 PolarHBondContact NE1-O 3.25Å; W143-G181 VanDerWaalsContact NE1-O 3.12Å; G181-N183 PolarHBondContact O-N 2.8Å; G181-G184 PolarHBondContact O-N 3.02Å; G181-D212 VanDerWaalsContact CA-OD1 3.24Å; G181-D212 WeakPolarHBondContact CA-OD1 3.37Å
182C94.8Very high96.8Very high21 Ų2134.6 Ų34.614%0.14220%0.196CC..G310 helixtrans-71-6175.7-690000114.4C139 G140 M180 D212C139-C182 HydrophobicContact CB-CB 3.96Å; C139-C182 WeakPolarHBondContact CB-SG 3.33Å; C139-C182 WeakPolarHBondContact SG-CA 3.22Å; C139-C182 WeakPolarHBondContact SG-CB 3.46Å; C139-C182 CovalentContact SG-SG 2.04Å; C139-C182 PolarHBondContact SG-SG 2.86Å; G140-C182 WeakPolarHBondContact CA-O 3.31Å; G140-C182 PolarHBondContact N-O 2.93Å; M180-C182 PolarHBondContact O-N 3.49Å; C182-D212 PolarHBondContact N-OD1 2.79Å
183N93.2Very high96.8Very high79 Ų7934 Ų3442%0.42219%0.192SC..G310 helixtrans-99.28.6175.4-57.2-84.3000113G93 R96 M180 G181 D212G93-N183 CarbonylContact O-C 3.58Å; R96-N183 WeakPolarHBondContact CD-O 3.23Å; M180-N183 HydrophobicContact CB-CB 4.01Å; M180-N183 WeakPolarHBondContact O-CA 3.39Å; M180-N183 VanDerWaalsContact O-CB 3.31Å; M180-N183 WeakPolarHBondContact O-CB 3.48Å; M180-N183 PolarHBondContact O-N 3.41Å; G181-N183 PolarHBondContact O-N 2.8Å; N183-D212 PolarHBondContact ND2-OD2 3.35Å
184G94.1Very high96.8Very high1 Ų133.2 Ų33.21%0.0119%0.186CC..  trans116.6171.1165.700000114.8G93 C94 M180 G181G93-G184 WeakPolarHBondContact O-CA 3.42Å; G93-G184 PolarHBondContact O-N 3.48Å; C94-G184 CarbonylContact O-C 3.54Å; C94-G184 WeakPolarHBondContact O-CA 3.41Å; M180-G184 CarbonylContact C-O 3.3Å; M180-G184 WeakPolarHBondContact CA-O 3.47Å; M180-G184 WeakPolarHBondContact CB-O 3.32Å; M180-G184 PolarHBondContact N-O 2.91Å; G181-G184 PolarHBondContact O-N 3.02Å
185G95.4Very high96.8Very high0 Ų038.9 Ų38.90%021%0.211CC..  trans178.9-178.8-173.900000111.6C94 W143 N179C94-G185 PolarHBondContact O-N 3.48Å; W143-G185 WeakPolarHBondContact CB-O 3.43Å; N179-G185 WeakPolarHBondContact OD1-CA 3.29Å
186L96.6Very high96.8Very high33 Ų3340 Ų4017%0.17322%0.216CC..  trans-132.8141.7180-61.8175.1000110L95 F98 N179 D188 N189 A190L95-L186 HydrophobicContact CD2-CD2 4.16Å; F98-L186 HydrophobicContact CB-CD2 3.86Å; F98-L186 HydrophobicContact CD2-CD2 4.24Å; N179-L186 PolarHBondContact OD1-N 2.99Å; N179-L186 PolarHBondContact OD1-O 3.18Å; L186-D188 VanDerWaalsContact C-N 3.27Å; L186-D188 PolarHBondContact O-N 3.19Å; L186-N189 HydrophobicContact CB-CB 4.48Å; L186-N189 WeakPolarHBondContact O-CB 3.39Å; L186-N189 PolarHBondContact O-N 2.66Å; L186-A190 PolarHBondContact O-N 3.38Å; L186-A190 VanDerWaalsContact O-N 3.12Å
187M98.2Very high96.9Very high8 Ų834.3 Ų34.34%0.03919%0.186CC..Hα-helixtrans-58-41.2-179.7-58.878.979.600111.7L95 W143 T147 N189 A190 F191L95-M187 HydrophobicContact CD2-SD 3.81Å; W143-M187 HydrophobicContact CB-SD 4.21Å; W143-M187 WeakPolarHBondContact O-CG 3.47Å; T147-M187 VanDerWaalsContact OG1-CA 3.31Å; T147-M187 WeakPolarHBondContact OG1-CA 3.31Å; M187-N189 VanDerWaalsContact C-N 3.3Å; M187-N189 PolarHBondContact O-N 2.9Å; M187-A190 WeakPolarHBondContact O-CB 3.21Å; M187-A190 PolarHBondContact O-N 2.73Å; M187-A190 VanDerWaalsContact O-N 3.12Å; M187-F191 HydrophobicContact CB-CE2 4.01Å; M187-F191 HydrophobicContact CB-CZ 4.32Å; M187-F191 VanDerWaalsContact O-CD2 3.24Å; M187-F191 WeakPolarHBondContact O-CD2 3.34Å; M187-F191 WeakPolarHBondContact O-CG 3.4Å; M187-F191 PolarHBondContact O-N 2.88Å
188D97.7Very high97Very high26 Ų2632.4 Ų32.414%0.13919%0.193CC..Hα-helixtrans-60.4-37.1177.3-651.5000113R104 L186 F191 K192 Y229 S330R104-D188 IonicContact NH1-OD2 2.97Å; L186-D188 VanDerWaalsContact C-N 3.27Å; L186-D188 PolarHBondContact O-N 3.19Å; D188-F191 PolarHBondContact O-N 3.29Å; D188-K192 WeakPolarHBondContact O-CG 3.5Å; D188-K192 PolarHBondContact O-N 3.49Å; D188-K192 VanDerWaalsContact O-N 3.11Å; D188-Y229 HydrophobicContact CB-CD2 4.29Å; D188-Y229 HydrophobicContact CB-CE2 3.68Å; D188-Y229 VanDerWaalsContact CG-CE2 3.5Å; D188-S330 VanDerWaalsContact OD1-CB 3.23Å; D188-S330 WeakPolarHBondContact OD1-CB 3.2Å; D188-S330 PolarHBondContact OD1-OG 3.22Å
189N97.6Very high97.2Very high22 Ų2230.7 Ų30.712%0.11818%0.175CC..Hα-helixtrans-70.8-38.8177-70.6-15.3000111Y177 N179 L186 M187 K192 Y193Y177-N189 WeakPolarHBondContact O-CB 3.48Å; Y177-N189 PolarHBondContact O-ND2 3.43Å; N179-N189 WeakPolarHBondContact OD1-CB 3.42Å; L186-N189 HydrophobicContact CB-CB 4.48Å; L186-N189 WeakPolarHBondContact O-CB 3.39Å; L186-N189 PolarHBondContact O-N 2.66Å; M187-N189 VanDerWaalsContact C-N 3.3Å; M187-N189 PolarHBondContact O-N 2.9Å; N189-K192 WeakPolarHBondContact O-CB 3.37Å; N189-K192 PolarHBondContact O-N 2.91Å; N189-K192 PolarHBondContact OD1-NZ 2.92Å; N189-Y193 PolarHBondContact O-N 3.35Å
190A98.4Very high97.3Very high0 Ų030.4 Ų30.40%017%0.174CC..Hα-helixtrans-62.9-42.7173.800000111.5W143 T147 L170 N179 L186 M187 K192 Y193 I194W143-A190 HydrophobicContact CE3-CB 4.06Å; W143-A190 HydrophobicContact CZ3-CB 3.79Å; T147-A190 HydrophobicContact CG2-CB 3.49Å; T147-A190 VanDerWaalsContact CG2-CB 3.49Å; T147-A190 WeakPolarHBondContact OG1-CB 3.39Å; L170-A190 HydrophobicContact CD1-CB 4.16Å; L170-A190 HydrophobicContact CD2-CB 4.15Å; N179-A190 PolarHBondContact ND2-N 2.8Å; L186-A190 PolarHBondContact O-N 3.38Å; L186-A190 VanDerWaalsContact O-N 3.12Å; M187-A190 WeakPolarHBondContact O-CB 3.21Å; M187-A190 PolarHBondContact O-N 2.73Å; M187-A190 VanDerWaalsContact O-N 3.12Å; A190-K192 VanDerWaalsContact C-N 3.35Å; A190-K192 PolarHBondContact O-N 3.01Å; A190-Y193 WeakPolarHBondContact O-CB 3.38Å; A190-Y193 PolarHBondContact O-N 2.93Å; A190-I194 WeakPolarHBondContact O-CD1 3.47Å; A190-I194 VanDerWaalsContact O-CG1 3.25Å; A190-I194 WeakPolarHBondContact O-CG1 3.49Å; A190-I194 PolarHBondContact O-N 2.8Å
191F98.7Very high97.4Very high0 Ų025.7 Ų25.70%015%0.151CC..Hα-helixtrans-61.9-39.4174.8-61.9-40.8000112.8T147 M187 D188 I194 K195 Y229 P332T147-F191 HydrophobicContact CG2-CD1 3.57Å; T147-F191 HydrophobicContact CG2-CE1 3.34Å; T147-F191 HydrophobicContact CG2-CG 4.5Å; T147-F191 HydrophobicContact CG2-CZ 4.11Å; M187-F191 HydrophobicContact CB-CE2 4.01Å; M187-F191 HydrophobicContact CB-CZ 4.32Å; M187-F191 VanDerWaalsContact O-CD2 3.24Å; M187-F191 WeakPolarHBondContact O-CD2 3.34Å; M187-F191 WeakPolarHBondContact O-CG 3.4Å; M187-F191 PolarHBondContact O-N 2.88Å; D188-F191 PolarHBondContact O-N 3.29Å; F191-I194 HydrophobicContact CD1-CD1 4.41Å; F191-I194 PolarHBondContact O-N 2.83Å; F191-K195 WeakPolarHBondContact O-CB 3.4Å; F191-K195 PolarHBondContact O-N 3.24Å; F191-K195 VanDerWaalsContact O-N 3.08Å; F191-Y229 HydrophobicContact CB-CD1 3.88Å; F191-Y229 HydrophobicContact CB-CG 4.05Å; F191-Y229 HydrophobicContact CD2-CD2 4.39Å; F191-Y229 HydrophobicContact CD2-CG 4.01Å; F191-Y229 HydrophobicContact CG-CG 4.46Å; F191-P332 HydrophobicContact CD1-CB 3.68Å; F191-P332 HydrophobicContact CD1-CG 4.18Å; F191-P332 HydrophobicContact CE1-CB 3.67Å; F191-P332 HydrophobicContact CE1-CG 3.63Å; F191-P332 HydrophobicContact CG-CB 4.25Å; F191-P332 HydrophobicContact CZ-CB 4.24Å; F191-P332 HydrophobicContact CZ-CG 4.05Å
192K98.3Very high97.6Very high62 Ų6226.9 Ų26.927%0.2716%0.157SC..Hα-helixtrans-61.6-44.9173.3-68.9168-158.8154.70111.6Y177 D188 N189 A190 K195 A196 Y229Y177-K192 HydrophobicContact CD1-CB 3.81Å; Y177-K192 HydrophobicContact CE1-CB 4.31Å; D188-K192 WeakPolarHBondContact O-CG 3.5Å; D188-K192 PolarHBondContact O-N 3.49Å; D188-K192 VanDerWaalsContact O-N 3.11Å; N189-K192 WeakPolarHBondContact O-CB 3.37Å; N189-K192 PolarHBondContact O-N 2.91Å; N189-K192 PolarHBondContact OD1-NZ 2.92Å; A190-K192 VanDerWaalsContact C-N 3.35Å; A190-K192 PolarHBondContact O-N 3.01Å; K192-K195 PolarHBondContact O-N 3.47Å; K192-A196 WeakPolarHBondContact O-CB 3.29Å; K192-A196 PolarHBondContact O-N 3.26Å; K192-Y229 HydrophobicContact CD-CE1 4.45Å; K192-Y229 WeakPolarHBondContact CE-OH 3.4Å; K192-Y229 HydrophobicContact CG-CE1 3.72Å
193Y98.7Very high97.8Very high7 Ų727.8 Ų27.83%0.02716%0.159CC..Hα-helixtrans-58.2-54.4176161.6-104.7000110.9Q169 L170 C173 Y177 N189 A190 K195 A196 N197Q169-Y193 HydrophobicContact CG-CE1 4.24Å; Q169-Y193 WeakPolarHBondContact CG-OH 3.49Å; Q169-Y193 PolarHBondContact NE2-OH 2.76Å; L170-Y193 HydrophobicContact CD2-CD1 3.65Å; L170-Y193 HydrophobicContact CD2-CE1 3.89Å; C173-Y193 HydrophobicContact CB-CE1 4.22Å; C173-Y193 HydrophobicContact CB-CE2 3.75Å; C173-Y193 VanDerWaalsContact CB-CZ 3.42Å; C173-Y193 WeakPolarHBondContact CB-OH 3.48Å; Y177-Y193 AromaticContact CD2-CD2 3.84Å; Y177-Y193 HydrophobicContact CD2-CD2 3.84Å; Y177-Y193 HydrophobicContact CD2-CG 4.22Å; Y177-Y193 AromaticContact CE2-CD2 3.71Å; Y177-Y193 HydrophobicContact CE2-CD2 3.71Å; Y177-Y193 HydrophobicContact CE2-CG 4.39Å; N189-Y193 PolarHBondContact O-N 3.35Å; A190-Y193 WeakPolarHBondContact O-CB 3.38Å; A190-Y193 PolarHBondContact O-N 2.93Å; Y193-K195 PolarHBondContact O-N 3.07Å; Y193-A196 PolarHBondContact O-N 2.66Å; Y193-N197 HydrophobicContact CD2-CB 4.19Å; Y193-N197 HydrophobicContact CE1-CB 4.49Å; Y193-N197 HydrophobicContact CE2-CB 3.74Å; Y193-N197 WeakPolarHBondContact O-CB 3.31Å; Y193-N197 PolarHBondContact O-N 3.44Å; Y193-N197 PolarHBondContact OH-ND2 2.97Å
194I98.8Very high98Very high0 Ų032.6 Ų32.60%018%0.179CC..Hα-helixtrans-56.9-42.2-177.3-62.4159.1000110.6T147 L151 L170 A190 F191 G198 G199 I200 C226T147-I194 HydrophobicContact CG2-CD1 3.84Å; L151-I194 HydrophobicContact CD2-CD1 3.79Å; L151-I194 HydrophobicContact CD2-CG2 4.13Å; L170-I194 HydrophobicContact CD2-CD1 3.97Å; L170-I194 HydrophobicContact CD2-CG1 3.83Å; A190-I194 WeakPolarHBondContact O-CD1 3.47Å; A190-I194 VanDerWaalsContact O-CG1 3.25Å; A190-I194 WeakPolarHBondContact O-CG1 3.49Å; A190-I194 PolarHBondContact O-N 2.8Å; F191-I194 HydrophobicContact CD1-CD1 4.41Å; F191-I194 PolarHBondContact O-N 2.83Å; I194-G198 PolarHBondContact O-N 3.01Å; I194-G198 VanDerWaalsContact O-N 3.16Å; I194-G199 PolarHBondContact O-N 3.19Å; I194-I200 HydrophobicContact CD1-CD1 4.2Å; I194-I200 HydrophobicContact CG1-CB 4.24Å; I194-I200 HydrophobicContact CG1-CD1 4.34Å; I194-I200 HydrophobicContact CG2-CB 4.16Å; I194-I200 HydrophobicContact CG2-CG2 4.18Å; I194-C226 HydrophobicContact CB-CB 3.88Å; I194-C226 HydrophobicContact CG2-CB 3.5Å; I194-C226 VanDerWaalsContact CG2-CB 3.5Å
195K98.5Very high98.2Very high119 Ų11934.9 Ų34.952%0.51720%0.195SC..Hα-helixtrans-59.9-49.7176.1174.4-179179.5158.90112.2F191 K192 Y193 G198 C226 T227F191-K195 WeakPolarHBondContact O-CB 3.4Å; F191-K195 PolarHBondContact O-N 3.24Å; F191-K195 VanDerWaalsContact O-N 3.08Å; K192-K195 PolarHBondContact O-N 3.47Å; Y193-K195 PolarHBondContact O-N 3.07Å; K195-G198 PolarHBondContact O-N 2.66Å; K195-C226 VanDerWaalsContact CA-O 3.25Å; K195-C226 WeakPolarHBondContact CA-O 3.36Å; K195-C226 HydrophobicContact CB-CB 4.43Å; K195-C226 WeakPolarHBondContact CB-O 3.27Å; K195-T227 VanDerWaalsContact CD-O 3.31Å; K195-T227 WeakPolarHBondContact CD-O 3.34Å; K195-T227 WeakPolarHBondContact CE-O 3.11Å; K195-T227 PolarHBondContact NZ-O 2.89Å
196A98.4Very high98.4Very high64 Ų6435.2 Ų35.253%0.52920%0.196SC..Hα-helixtrans-73.4-32.4-176.500000112.9Y177 K192 Y193 G198Y177-A196 HydrophobicContact CE1-CB 3.95Å; Y177-A196 WeakPolarHBondContact OH-CB 3.39Å; K192-A196 WeakPolarHBondContact O-CB 3.29Å; K192-A196 PolarHBondContact O-N 3.26Å; Y193-A196 PolarHBondContact O-N 2.66Å; A196-G198 PolarHBondContact O-N 3.21Å
197N98.5Very high98.5Very high46 Ų4636.8 Ų36.825%0.24621%0.208CC..Hα-helixtrans-71.6-20.2176.7-169.859.7000112.8Q169 Y193 G199 Y217Q169-N197 PolarHBondContact NE2-ND2 2.86Å; Q169-N197 VanDerWaalsContact NE2-ND2 3.15Å; Y193-N197 HydrophobicContact CD2-CB 4.19Å; Y193-N197 HydrophobicContact CE1-CB 4.49Å; Y193-N197 HydrophobicContact CE2-CB 3.74Å; Y193-N197 WeakPolarHBondContact O-CB 3.31Å; Y193-N197 PolarHBondContact O-N 3.44Å; Y193-N197 PolarHBondContact OH-ND2 2.97Å; N197-G199 PolarHBondContact ND2-O 3.36Å; N197-Y217 WeakPolarHBondContact ND2-CD1 3.24Å; N197-Y217 WeakPolarHBondContact ND2-CD2 3.36Å; N197-Y217 WeakPolarHBondContact ND2-CE1 3.43Å; N197-Y217 WeakPolarHBondContact ND2-CE2 3.47Å; N197-Y217 WeakPolarHBondContact OD1-CD1 3.31Å
198G98.3Very high98.5Very high47 Ų4738.4 Ų38.449%0.48521%0.214SC..THydrogen-bonded Turntrans83.913.3-177.100000114I194 K195 A196I194-G198 PolarHBondContact O-N 3.01Å; I194-G198 VanDerWaalsContact O-N 3.16Å; K195-G198 PolarHBondContact O-N 2.66Å; A196-G198 PolarHBondContact O-N 3.21Å
199G98.4Very high98.5Very high0 Ų041.3 Ų41.30%023%0.227CC..  trans150.2176.5177.800000114.6Q169 I194 N197 A224Q169-G199 PolarHBondContact NE2-O 2.84Å; I194-G199 PolarHBondContact O-N 3.19Å; N197-G199 PolarHBondContact ND2-O 3.36Å; G199-A224 CarbonylContact C-O 3.6Å; G199-A224 VanDerWaalsContact CA-O 3.24Å; G199-A224 WeakPolarHBondContact CA-O 3.25Å
200I98.9Very high98.5Very high0 Ų041.6 Ų41.60%023%0.232CC..EExtended strand (participates in β ladder)trans-133.3138.1173.3-171.8172.8000109.1T148 L151 L165 S166 L170 I194 V222 G223 A224T148-I200 HydrophobicContact CG2-CD1 4.1Å; L151-I200 HydrophobicContact CD2-CG2 3.69Å; L165-I200 HydrophobicContact CB-CD1 4.39Å; L165-I200 HydrophobicContact CB-CG2 4.44Å; L165-I200 HydrophobicContact CD1-CG2 3.96Å; L165-I200 HydrophobicContact CD2-CG2 4.16Å; L165-I200 HydrophobicContact CG-CG2 4.41Å; S166-I200 WeakPolarHBondContact O-CD1 3.39Å; L170-I200 HydrophobicContact CD1-CD1 4.13Å; L170-I200 HydrophobicContact CD2-CD1 3.83Å; L170-I200 HydrophobicContact CG-CD1 3.81Å; I194-I200 HydrophobicContact CD1-CD1 4.2Å; I194-I200 HydrophobicContact CG1-CB 4.24Å; I194-I200 HydrophobicContact CG1-CD1 4.34Å; I194-I200 HydrophobicContact CG2-CB 4.16Å; I194-I200 HydrophobicContact CG2-CG2 4.18Å; I200-V222 CarbonylContact O-C 3.57Å; I200-V222 WeakPolarHBondContact O-CA 3.23Å; I200-G223 PolarHBondContact O-N 2.97Å; I200-A224 HydrophobicContact CG2-CB 4.04Å; I200-A224 PolarHBondContact N-O 3.45Å; I200-A224 PolarHBondContact O-N 3.34Å
201D98.9Very high98.4Very high1 Ų147.4 Ų47.41%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-68.8159178.3-73.9-30.9000111.4S166 Q169 Y217 N218 T221 V222S166-D201 PolarHBondContact N-O 2.95Å; Q169-D201 VanDerWaalsContact OE1-CB 3.25Å; D201-Y217 WeakPolarHBondContact OD2-CD2 3.25Å; D201-N218 PolarHBondContact OD2-N 2.8Å; D201-T221 WeakPolarHBondContact CA-O 3.49Å; D201-T221 PolarHBondContact OD1-OG1 3.25Å; D201-V222 PolarHBondContact OD1-N 3.07Å
202T98.8Very high98.3Very high29 Ų2951.5 Ų51.518%0.17828%0.282CS..BIsolated β-bridgetrans-70.7154170.968.40000111.3V163 S164 E204 S205 Y206 T221V163-T202 HydrophobicContact CG1-CG2 3.62Å; S164-T202 WeakPolarHBondContact O-CA 3.4Å; T202-E204 PolarHBondContact O-N 2.85Å; T202-S205 PolarHBondContact N-OG 1.97Å; T202-S205 PolarHBondContact O-N 3.48Å; T202-S205 PolarHBondContact O-OG 2.74Å; T202-S205 WeakPolarHBondContact OG1-CB 3.4Å; T202-S205 PolarHBondContact OG1-N 2.7Å; T202-S205 VanDerWaalsContact OG1-N 3.15Å; T202-S205 PolarHBondContact OG1-OG 3.11Å; T202-Y206 PolarHBondContact O-N 3.18Å; T202-T221 PolarHBondContact N-O 3.08Å
203E98.8Very high98.3Very high39 Ų3949.7 Ų49.718%0.18228%0.281CS..THydrogen-bonded Turntrans-55.6-36.3170.2-176.362.3-148.800111.6K134 S164 Y206 P207 Y208K134-E203 IonicContact NZ-OE2 3.53Å; K134-E203 PolarHBondContact NZ-OE2 2.74Å; S164-E203 PolarHBondContact O-N 3.21Å; S164-E203 VanDerWaalsContact OG-CB 3.27Å; S164-E203 WeakPolarHBondContact OG-CB 3.43Å; E203-Y206 CarbonylContact O-C 3.49Å; E203-P207 VanDerWaalsContact O-CA 3.22Å; E203-P207 WeakPolarHBondContact O-CA 3.2Å; E203-Y208 WeakPolarHBondContact OE1-CB 2.95Å; E203-Y208 PolarHBondContact OE1-N 3.06Å
204E98.5Very high98.2Very high181 Ų18157 Ų5785%0.84632%0.315SS*.THydrogen-bonded Turntrans-65.5-40.7179.7-176.6179-177.200112.3T202T202-E204 PolarHBondContact O-N 2.85Å
205S98.7Very high98.2Very high49 Ų4960.3 Ų60.334%0.34334%0.337SS..THydrogen-bonded Turntrans-81.3-25.4-179.251.60000114T202 T221T202-S205 PolarHBondContact N-OG 1.97Å; T202-S205 PolarHBondContact O-N 3.48Å; T202-S205 PolarHBondContact O-OG 2.74Å; T202-S205 WeakPolarHBondContact OG1-CB 3.4Å; T202-S205 PolarHBondContact OG1-N 2.7Å; T202-S205 VanDerWaalsContact OG1-N 3.15Å; T202-S205 PolarHBondContact OG1-OG 3.11Å; S205-T221 VanDerWaalsContact CB-CB 3.5Å; S205-T221 WeakPolarHBondContact OG-CB 3.18Å
206Y98.8Very high98.2Very high7 Ų759.6 Ų59.63%0.02733%0.331CS..SBendtrans-139.877.9-179.4-161.4-23.9000109.4S166 Q168 Q169 D172 T202 E203 Q214 R216S166-Y206 VanDerWaalsContact CB-O 3.26Å; S166-Y206 WeakPolarHBondContact CB-O 3.41Å; S166-Y206 WeakPolarHBondContact OG-CB 3.42Å; S166-Y206 PolarHBondContact OG-O 2.72Å; Q168-Y206 HydrophobicContact CB-CD1 3.75Å; Q168-Y206 HydrophobicContact CB-CE1 3.75Å; Q168-Y206 HydrophobicContact CG-CD1 3.91Å; Q168-Y206 HydrophobicContact CG-CE1 3.46Å; Q168-Y206 VanDerWaalsContact CG-CE1 3.46Å; Q169-Y206 HydrophobicContact CB-CD2 3.78Å; Q169-Y206 HydrophobicContact CB-CE2 3.85Å; Q169-Y206 HydrophobicContact CB-CG 4.39Å; Q169-Y206 HydrophobicContact CG-CD2 4.32Å; Q169-Y206 HydrophobicContact CG-CE2 4.19Å; D172-Y206 WeakPolarHBondContact CB-OH 3.46Å; D172-Y206 PolarHBondContact OD2-OH 3.19Å; T202-Y206 PolarHBondContact O-N 3.18Å; E203-Y206 CarbonylContact O-C 3.49Å; Y206-Q214 PolarHBondContact OH-O 2.95Å; Y206-R216 HydrophobicContact CE1-CB 4.47Å; Y206-R216 VanDerWaalsContact CE1-CZ 3.48Å; Y206-R216 VanDerWaalsContact CE1-NH2 3.3Å; Y206-R216 VanDerWaalsContact CE2-C 3.5Å; Y206-R216 HydrophobicContact CE2-CB 3.77Å; Y206-R216 PolarHBondContact OH-N 3.39Å; Y206-R216 PolarHBondContact OH-NH1 2.71Å
207P98.6Very high98.2Very high65 Ų6559 Ų5942%0.42232%0.316SS..  trans-66.7153.9-173.1-21.934.6000113.8Q168 E203Q168-P207 WeakPolarHBondContact CB-O 3.42Å; E203-P207 VanDerWaalsContact O-CA 3.22Å; E203-P207 WeakPolarHBondContact O-CA 3.2Å
208Y98.7Very high98.2Very high42 Ų4260 Ų6017%0.16532%0.321CS..  trans-69.3127.9174.1-169.9-110.8000113.7D135 Q136 C139 S141 F145 E167 Q168 E203 A210D135-Y208 WeakPolarHBondContact O-CE1 3.49Å; Q136-Y208 PolarHBondContact O-OH 3.01Å; C139-Y208 WeakPolarHBondContact CB-OH 3.32Å; C139-Y208 PolarHBondContact SG-OH 3.45Å; S141-Y208 PolarHBondContact OG-OH 2.93Å; F145-Y208 HydrophobicContact CE2-CD2 4.3Å; F145-Y208 HydrophobicContact CE2-CE1 4.07Å; F145-Y208 AromaticContact CE2-CE2 3.72Å; F145-Y208 HydrophobicContact CE2-CE2 3.72Å; F145-Y208 AromaticContact CE2-CZ 3.59Å; F145-Y208 AromaticContact CZ-CD1 3.86Å; F145-Y208 HydrophobicContact CZ-CD1 3.86Å; F145-Y208 AromaticContact CZ-CD2 3.9Å; F145-Y208 HydrophobicContact CZ-CD2 3.9Å; F145-Y208 AromaticContact CZ-CE1 3.7Å; F145-Y208 HydrophobicContact CZ-CE1 3.7Å; F145-Y208 AromaticContact CZ-CE2 3.74Å; F145-Y208 HydrophobicContact CZ-CE2 3.74Å; F145-Y208 AromaticContact CZ-CG 3.94Å; F145-Y208 HydrophobicContact CZ-CG 3.94Å; F145-Y208 AromaticContact CZ-CZ 3.64Å; E167-Y208 HydrophobicContact CB-CD2 3.89Å; E167-Y208 HydrophobicContact CB-CE2 4.23Å; Q168-Y208 HydrophobicContact CB-CD2 4.47Å; E203-Y208 WeakPolarHBondContact OE1-CB 2.95Å; E203-Y208 PolarHBondContact OE1-N 3.06Å; Y208-A210 HydrophobicContact CD1-CB 4.25Å; Y208-A210 HydrophobicContact CE1-CB 3.48Å; Y208-A210 VanDerWaalsContact CE1-CB 3.48Å
209E98.3Very high98.2Very high87 Ų8762.1 Ų62.141%0.40733%0.326SS..  trans-114-12.4-175.3-67.3168.3-173.900112.5Q168 E211 R216Q168-E209 HydrophobicContact CG-CB 4.45Å; Q168-E209 HydrophobicContact CG-CG 4.49Å; E209-E211 HydrophobicContact CB-CG 4.18Å; E209-E211 PolarHBondContact O-N 3.03Å; E209-R216 IonicContact OE1-CZ 2.75Å; E209-R216 IonicContact OE1-NH2 2.79Å; E209-R216 PolarHBondContact OE1-NH2 3.03Å; E209-R216 IonicContact OE2-CZ 3.05Å; E209-R216 IonicContact OE2-NH2 3.92Å; E209-R216 PolarHBondContact OE2-NH2 3.04Å
210A96.1Very high98.2Very high28 Ų2867.2 Ų67.223%0.23136%0.362CS..SBendtrans58.131.1-179.100000114.6K137 C139 Y208K137-A210 HydrophobicContact CB-CB 3.89Å; K137-A210 HydrophobicContact CG-CB 4.09Å; C139-A210 HydrophobicContact CB-CB 4.09Å; C139-A210 WeakPolarHBondContact CB-O 3.4Å; Y208-A210 HydrophobicContact CD1-CB 4.25Å; Y208-A210 HydrophobicContact CE1-CB 3.48Å; Y208-A210 VanDerWaalsContact CE1-CB 3.48Å
211E96.7Very high98.2Very high122 Ų12269.2 Ų69.257%0.5737%0.374SS*.SBendtrans-147.5162.3175.460.9-178.3-162.700110.9Q168 E209 G213Q168-E211 PolarHBondContact NE2-O 3.38Å; E209-E211 HydrophobicContact CB-CG 4.18Å; E209-E211 PolarHBondContact O-N 3.03Å; E211-G213 PolarHBondContact O-N 3.11Å
212D97.4Very high98.1Very high87 Ų8771.6 Ų71.647%0.46539%0.388SS..  trans-74.5116.9174.7-67.7-41.1000109.9G181 C182 N183G181-D212 VanDerWaalsContact CA-OD1 3.24Å; G181-D212 WeakPolarHBondContact CA-OD1 3.37Å; C182-D212 PolarHBondContact N-OD1 2.79Å; N183-D212 PolarHBondContact ND2-OD2 3.35Å
213G96.9Very high98.1Very high24 Ų2471.1 Ų71.125%0.24739%0.39CS..  trans-111.8179.4-179.900000113.9D172 E211D172-G213 VanDerWaalsContact OD1-CA 3.23Å; D172-G213 WeakPolarHBondContact OD1-CA 3.44Å; D172-G213 PolarHBondContact OD1-N 2.98Å; E211-G213 PolarHBondContact O-N 3.11Å
214Q98.1Very high98.1Very high161 Ų16169.6 Ų69.675%0.75238%0.384SS*.  trans-80.3142166.9-66.9-62.6-57.900109.5Y206 R216Y206-Q214 PolarHBondContact OH-O 2.95Å; Q214-R216 WeakPolarHBondContact O-CG 3.32Å; Q214-R216 PolarHBondContact O-N 2.93Å; Q214-R216 PolarHBondContact O-NH1 3.03Å
215C98.6Very high98.1Very high69 Ų6964 Ų6447%0.46636%0.362SS..  trans-62.1121.6176.7-178.90000112.1C173C173-C215 HydrophobicContact CB-CB 3.84Å; C173-C215 WeakPolarHBondContact CB-SG 3.44Å; C173-C215 WeakPolarHBondContact SG-CA 3.21Å; C173-C215 WeakPolarHBondContact SG-CB 3.45Å; C173-C215 CovalentContact SG-SG 2.03Å; C173-C215 PolarHBondContact SG-SG 3.26Å
216R98.3Very high98Very high103 Ų10362.1 Ų62.139%0.38935%0.348SS..  trans-119.225.3-178.7-60.7175.5-58.7-78.120.7113.5D172 Y206 E209 Q214 N218D172-R216 IonicContact OD2-CZ 3.57Å; D172-R216 IonicContact OD2-NH1 3.93Å; D172-R216 PolarHBondContact OD2-NH1 3.27Å; D172-R216 IonicContact OD2-NH2 2.64Å; Y206-R216 HydrophobicContact CE1-CB 4.47Å; Y206-R216 VanDerWaalsContact CE1-CZ 3.48Å; Y206-R216 VanDerWaalsContact CE1-NH2 3.3Å; Y206-R216 VanDerWaalsContact CE2-C 3.5Å; Y206-R216 HydrophobicContact CE2-CB 3.77Å; Y206-R216 PolarHBondContact OH-N 3.39Å; Y206-R216 PolarHBondContact OH-NH1 2.71Å; E209-R216 IonicContact OE1-CZ 2.75Å; E209-R216 IonicContact OE1-NH2 2.79Å; E209-R216 PolarHBondContact OE1-NH2 3.03Å; E209-R216 IonicContact OE2-CZ 3.05Å; E209-R216 IonicContact OE2-NH2 3.92Å; E209-R216 PolarHBondContact OE2-NH2 3.04Å; Q214-R216 WeakPolarHBondContact O-CG 3.32Å; Q214-R216 PolarHBondContact O-N 2.93Å; Q214-R216 PolarHBondContact O-NH1 3.03Å; R216-N218 PolarHBondContact O-N 2.88Å
217Y98.6Very high98Very high52 Ų5265.4 Ų65.420%0.20437%0.369CS..  trans-52.2133.6-178.8169.2-120.2000112.1N197 D201 P219 V222N197-Y217 WeakPolarHBondContact ND2-CD1 3.24Å; N197-Y217 WeakPolarHBondContact ND2-CD2 3.36Å; N197-Y217 WeakPolarHBondContact ND2-CE1 3.43Å; N197-Y217 WeakPolarHBondContact ND2-CE2 3.47Å; N197-Y217 WeakPolarHBondContact OD1-CD1 3.31Å; D201-Y217 WeakPolarHBondContact OD2-CD2 3.25Å; Y217-P219 HydrophobicContact CE1-CB 4.31Å; Y217-V222 HydrophobicContact CE2-CG2 3.86Å; Y217-V222 WeakPolarHBondContact OH-CG2 3.13Å
218N98.3Very high97.9Very high67 Ų6762.8 Ų62.836%0.35836%0.355SS..  trans-125112.1177177.9-0.4000111.2D201 R216 S220 T221D201-N218 PolarHBondContact OD2-N 2.8Å; R216-N218 PolarHBondContact O-N 2.88Å; N218-S220 PolarHBondContact O-N 3.06Å; N218-S220 VanDerWaalsContact OD1-CB 3.3Å; N218-S220 WeakPolarHBondContact OD1-CB 3.14Å; N218-S220 PolarHBondContact OD1-N 3.38Å; N218-S220 PolarHBondContact OD1-OG 3.14Å; N218-T221 WeakPolarHBondContact CB-OG1 3.48Å; N218-T221 PolarHBondContact O-N 2.76Å; N218-T221 PolarHBondContact O-OG1 3.29Å
219P97.8Very high97.9Very high92 Ų9261.7 Ų61.760%0.59735%0.35SS*.G310 helixtrans-61.4-13.7-17826.3-35.6000114.5Y217 T221Y217-P219 HydrophobicContact CE1-CB 4.31Å; P219-T221 VanDerWaalsContact C-N 3.32Å
220S98.3Very high97.9Very high106 Ų10658 Ų5874%0.74133%0.334SS*.G310 helixtrans-80.1-11.5176.8-46.20000113.7N218N218-S220 PolarHBondContact O-N 3.06Å; N218-S220 VanDerWaalsContact OD1-CB 3.3Å; N218-S220 WeakPolarHBondContact OD1-CB 3.14Å; N218-S220 PolarHBondContact OD1-N 3.38Å; N218-S220 PolarHBondContact OD1-OG 3.14Å
221T98.4Very high98Very high42 Ų4257 Ų5726%0.25833%0.325SS..G310 helixtrans-118.315.7-173.948.10000113.6D201 T202 S205 N218 P219 G223D201-T221 WeakPolarHBondContact CA-O 3.49Å; D201-T221 PolarHBondContact OD1-OG1 3.25Å; T202-T221 PolarHBondContact N-O 3.08Å; S205-T221 VanDerWaalsContact CB-CB 3.5Å; S205-T221 WeakPolarHBondContact OG-CB 3.18Å; N218-T221 WeakPolarHBondContact CB-OG1 3.48Å; N218-T221 PolarHBondContact O-N 2.76Å; N218-T221 PolarHBondContact O-OG1 3.29Å; P219-T221 VanDerWaalsContact C-N 3.32Å; T221-G223 PolarHBondContact O-N 3.23Å; T221-G223 VanDerWaalsContact O-N 3.16Å
222V98.6Very high98Very high51 Ų5151.2 Ų51.231%0.30930%0.298SS..EExtended strand (participates in β ladder)trans-57.3117.9177.9173.30000110.7I200 D201 Y217 A224 T225I200-V222 CarbonylContact O-C 3.57Å; I200-V222 WeakPolarHBondContact O-CA 3.23Å; D201-V222 PolarHBondContact OD1-N 3.07Å; Y217-V222 HydrophobicContact CE2-CG2 3.86Å; Y217-V222 WeakPolarHBondContact OH-CG2 3.13Å; V222-A224 WeakPolarHBondContact CG1-O 3.47Å; V222-T225 HydrophobicContact CG1-CG2 4.12Å
223G98.1Very high97.9Very high20 Ų2050.5 Ų50.521%0.20629%0.294CS..EExtended strand (participates in β ladder)trans-89.9-29.7174.700000113.5I200 T221I200-G223 PolarHBondContact O-N 2.97Å; T221-G223 PolarHBondContact O-N 3.23Å; T221-G223 VanDerWaalsContact O-N 3.16Å
224A98.4Very high97.8Very high6 Ų653.9 Ų53.95%0.0530%0.303CS..EExtended strand (participates in β ladder)trans-153.6159.818000000112.7L151 T155 L165 G199 I200 V222L151-A224 HydrophobicContact CD1-CB 4.49Å; L151-A224 HydrophobicContact CD2-CB 4.09Å; L151-A224 HydrophobicContact CG-CB 4.06Å; T155-A224 HydrophobicContact CG2-CB 4.23Å; T155-A224 WeakPolarHBondContact OG1-CB 3.23Å; L165-A224 HydrophobicContact CD1-CB 3.66Å; L165-A224 HydrophobicContact CD2-CB 3.72Å; L165-A224 HydrophobicContact CG-CB 4.35Å; G199-A224 CarbonylContact C-O 3.6Å; G199-A224 VanDerWaalsContact CA-O 3.24Å; G199-A224 WeakPolarHBondContact CA-O 3.25Å; I200-A224 HydrophobicContact CG2-CB 4.04Å; I200-A224 PolarHBondContact N-O 3.45Å; I200-A224 PolarHBondContact O-N 3.34Å; V222-A224 WeakPolarHBondContact CG1-O 3.47Å
225T98.1Very high97.8Very high65 Ų6547.7 Ų47.740%0.39928%0.282SS..  trans-125.6151.4175.758.60000110.7V222V222-T225 HydrophobicContact CG1-CG2 4.12Å
226C97.8Very high97.7Very high8 Ų847.2 Ų47.25%0.05428%0.275CS..  trans-119.9134.7176-178.50000109.7I194 K195 G228 L333I194-C226 HydrophobicContact CB-CB 3.88Å; I194-C226 HydrophobicContact CG2-CB 3.5Å; I194-C226 VanDerWaalsContact CG2-CB 3.5Å; K195-C226 VanDerWaalsContact CA-O 3.25Å; K195-C226 WeakPolarHBondContact CA-O 3.36Å; K195-C226 HydrophobicContact CB-CB 4.43Å; K195-C226 WeakPolarHBondContact CB-O 3.27Å; C226-G228 PolarHBondContact SG-O 3.48Å; C226-L333 CarbonylContact C-O 3.59Å
227T97.5Very high97.7Very high76 Ų7643.1 Ų43.147%0.46626%0.26SS..  trans-104-11.8177.159.70000112.6K195 L333K195-T227 VanDerWaalsContact CD-O 3.31Å; K195-T227 WeakPolarHBondContact CD-O 3.34Å; K195-T227 WeakPolarHBondContact CE-O 3.11Å; K195-T227 PolarHBondContact NZ-O 2.89Å; T227-L333 PolarHBondContact N-O 2.98Å; T227-L333 WeakPolarHBondContact OG1-CB 3.01Å; T227-L333 PolarHBondContact OG1-O 3.47Å
228G97.2Very high97.6Very high11 Ų1144.8 Ų44.811%0.11327%0.273CS..EExtended strand (participates in β ladder)trans162.8-171.6-177.100000110.6C226 P332 L333C226-G228 PolarHBondContact SG-O 3.48Å; G228-P332 CarbonylContact O-C 3.55Å; G228-P332 WeakPolarHBondContact O-CA 3.38Å; G228-L333 PolarHBondContact O-N 3.16Å
229Y98.3Very high97.5Very high18 Ų1841.7 Ų41.77%0.07126%0.256CS..EExtended strand (participates in β ladder)trans-147.6157.1175.364.7-80.4000109.8G106 S107 D188 F191 K192 Y331G106-Y229 PolarHBondContact N-OH 3.39Å; S107-Y229 PolarHBondContact N-O 3.28Å; D188-Y229 HydrophobicContact CB-CD2 4.29Å; D188-Y229 HydrophobicContact CB-CE2 3.68Å; D188-Y229 VanDerWaalsContact CG-CE2 3.5Å; F191-Y229 HydrophobicContact CB-CD1 3.88Å; F191-Y229 HydrophobicContact CB-CG 4.05Å; F191-Y229 HydrophobicContact CD2-CD2 4.39Å; F191-Y229 HydrophobicContact CD2-CG 4.01Å; F191-Y229 HydrophobicContact CG-CG 4.46Å; K192-Y229 HydrophobicContact CD-CE1 4.45Å; K192-Y229 WeakPolarHBondContact CE-OH 3.4Å; K192-Y229 HydrophobicContact CG-CE1 3.72Å; Y229-Y331 CarbonylContact C-O 3.11Å; Y229-Y331 VanDerWaalsContact CA-O 3.23Å; Y229-Y331 WeakPolarHBondContact CA-O 3.46Å; Y229-Y331 WeakPolarHBondContact CB-O 3.33Å
230V98.3Very high97.6Very high10 Ų1037.3 Ų37.36%0.06123%0.228CC..EExtended strand (participates in β ladder)trans-116.2135.4179179.20000108.6S107 F109 S330 Y331 L333S107-V230 WeakPolarHBondContact O-CA 3.49Å; S107-V230 WeakPolarHBondContact O-CG1 3.1Å; F109-V230 HydrophobicContact CB-CG1 3.87Å; F109-V230 HydrophobicContact CD2-CG1 4.17Å; V230-S330 VanDerWaalsContact O-CA 3.24Å; V230-S330 WeakPolarHBondContact O-CA 3.43Å; V230-S330 VanDerWaalsContact O-CB 3.31Å; V230-S330 WeakPolarHBondContact O-CB 3.35Å; V230-Y331 HydrophobicContact CB-CD1 4.17Å; V230-Y331 HydrophobicContact CB-CD2 4.24Å; V230-Y331 HydrophobicContact CB-CE1 3.64Å; V230-Y331 HydrophobicContact CB-CE2 3.7Å; V230-Y331 HydrophobicContact CB-CG 4.47Å; V230-Y331 HydrophobicContact CG1-CE1 3.7Å; V230-Y331 HydrophobicContact CG1-CE2 4.42Å; V230-Y331 WeakPolarHBondContact CG1-OH 3.02Å; V230-Y331 HydrophobicContact CG2-CD2 4.48Å; V230-Y331 HydrophobicContact CG2-CE1 4.45Å; V230-Y331 HydrophobicContact CG2-CE2 3.7Å; V230-Y331 PolarHBondContact N-O 3.44Å; V230-Y331 PolarHBondContact O-N 2.58Å; V230-L333 HydrophobicContact CG2-CD1 3.99Å; V230-L333 HydrophobicContact CG2-CD2 3.85Å; V230-L333 HydrophobicContact CG2-CG 4.06Å
231D98Very high97.5Very high7 Ų733.6 Ų33.64%0.03720%0.198CC..EExtended strand (participates in β ladder)trans-98.1114.6176-80.3-18.2000108.9R104 R105 G106 S107 F109 S330R104-D231 HydrophobicContact CB-CB 4.27Å; R104-D231 WeakPolarHBondContact CB-OD2 3.38Å; R104-D231 IonicContact CZ-OD1 3.12Å; R104-D231 IonicContact CZ-OD2 4Å; R104-D231 IonicContact NE-OD2 2.93Å; R104-D231 IonicContact NH1-OD1 3.67Å; R104-D231 PolarHBondContact NH1-OD1 3.01Å; R104-D231 IonicContact NH1-OD2 2.57Å; R104-D231 IonicContact NH2-OD1 2.67Å; R104-D231 PolarHBondContact NH2-OD1 2.94Å; R105-D231 PolarHBondContact N-OD2 2.82Å; G106-D231 VanDerWaalsContact CA-OD2 3.26Å; G106-D231 WeakPolarHBondContact CA-OD2 3.42Å; G106-D231 PolarHBondContact N-OD2 3.4Å; S107-D231 PolarHBondContact O-N 2.96Å; F109-D231 WeakPolarHBondContact CB-O 3.46Å; F109-D231 PolarHBondContact N-O 3.12Å; D231-S330 WeakPolarHBondContact OD1-CB 3.36Å
232V97.3Very high97.5Very high1 Ų131.9 Ų31.91%0.00619%0.187CC..PPolyproline II helixtrans-64.8147169.7-176.90000109.6R104 Q234 A239 L240 A243 A329 Y331R104-V232 PolarHBondContact NH2-O 3.05Å; V232-Q234 PolarHBondContact O-N 3.33Å; V232-A239 HydrophobicContact CG1-CB 3.73Å; V232-L240 HydrophobicContact CG1-CB 4.34Å; V232-A243 HydrophobicContact CG2-CB 3.92Å; V232-A329 HydrophobicContact CB-CB 3.9Å; V232-A329 WeakPolarHBondContact CB-O 3.44Å; V232-A329 HydrophobicContact CG1-CB 4.48Å; V232-A329 HydrophobicContact CG2-CB 4.19Å; V232-A329 PolarHBondContact N-O 2.74Å; V232-Y331 HydrophobicContact CG2-CD1 4.32Å; V232-Y331 HydrophobicContact CG2-CE1 4.35Å
233N94.8Very high97.5Very high71 Ų7129.4 Ų29.438%0.3817%0.173SC..PPolyproline II helixtrans-56.4128.4-180-68.4-18.5000110.6G235 D236 A239N233-G235 PolarHBondContact O-N 3.36Å; N233-D236 HydrophobicContact CB-CB 3.75Å; N233-D236 WeakPolarHBondContact O-CB 3.33Å; N233-D236 PolarHBondContact O-N 2.73Å; N233-A239 HydrophobicContact CB-CB 4.27Å
234Q96.1Very high97.5Very high96 Ų9628.5 Ų28.545%0.44916%0.163SC..THydrogen-bonded Turntrans-62.1123-173.4176.2174.110.600111.3A100 V232 D236 T327A100-Q234 PolarHBondContact O-NE2 2.76Å; V232-Q234 PolarHBondContact O-N 3.33Å; Q234-D236 PolarHBondContact O-N 3.04Å; Q234-T327 HydrophobicContact CG-CG2 4.07Å; Q234-T327 WeakPolarHBondContact CG-O 3.49Å
235G96.7Very high97.5Very high30 Ų3029 Ų2931%0.30917%0.167SC..THydrogen-bonded Turntrans763177.700000114.8N233 E237 N321 A326N233-G235 PolarHBondContact O-N 3.36Å; G235-E237 PolarHBondContact O-N 3.03Å; G235-N321 WeakPolarHBondContact CA-ND2 3.34Å; G235-A326 PolarHBondContact N-O 2.58Å
236D96.9Very high97.4Very high59 Ų5927.9 Ų27.932%0.31616%0.16SC..  trans-89.996.4-177.8-172.4-18.6000110.1N233 Q234 D238 A239 L240N233-D236 HydrophobicContact CB-CB 3.75Å; N233-D236 WeakPolarHBondContact O-CB 3.33Å; N233-D236 PolarHBondContact O-N 2.73Å; Q234-D236 PolarHBondContact O-N 3.04Å; D236-D238 VanDerWaalsContact C-N 3.26Å; D236-D238 PolarHBondContact O-N 3.02Å; D236-D238 PolarHBondContact OD1-N 3.15Å; D236-D238 VanDerWaalsContact OD1-N 3.12Å; D236-A239 HydrophobicContact CB-CB 3.85Å; D236-A239 VanDerWaalsContact CG-CB 3.43Å; D236-A239 PolarHBondContact O-N 2.56Å; D236-A239 PolarHBondContact OD1-N 3.1Å; D236-L240 PolarHBondContact O-N 3.1Å
237E98.1Very high97.3Very high18 Ų1828.6 Ų28.68%0.08416%0.163CC..Hα-helixtrans-65.3-28.6179.2-67.4-164.8-106.200112.6G235 L240 K241 W297 R317 N318 K319 N321 A326G235-E237 PolarHBondContact O-N 3.03Å; E237-L240 PolarHBondContact O-N 2.68Å; E237-K241 WeakPolarHBondContact O-CB 3.36Å; E237-K241 PolarHBondContact O-N 3.34Å; E237-W297 HydrophobicContact CB-CZ2 4.16Å; E237-W297 PolarHBondContact OE2-NE1 2.87Å; E237-W297 VanDerWaalsContact OE2-NE1 3.15Å; E237-R317 WeakPolarHBondContact OE2-CA 3.4Å; E237-N318 WeakPolarHBondContact OE1-CA 3.42Å; E237-N318 PolarHBondContact OE1-N 3.37Å; E237-N318 PolarHBondContact OE2-N 2.95Å; E237-K319 PolarHBondContact OE1-N 3.32Å; E237-K319 VanDerWaalsContact OE1-N 3.14Å; E237-N321 HydrophobicContact CG-CB 4.41Å; E237-N321 WeakPolarHBondContact OE1-CA 3.38Å; E237-N321 PolarHBondContact OE1-N 3.34Å; E237-A326 HydrophobicContact CG-CB 4.12Å
238D96.6Very high97.3Very high86 Ų8625 Ų2546%0.4614%0.141SC..Hα-helixtrans-71.6-43.2177.1-76-35.1000110.6D236 L240 K241 E242D236-D238 VanDerWaalsContact C-N 3.26Å; D236-D238 PolarHBondContact O-N 3.02Å; D236-D238 PolarHBondContact OD1-N 3.15Å; D236-D238 VanDerWaalsContact OD1-N 3.12Å; D238-L240 VanDerWaalsContact C-N 3.34Å; D238-L240 PolarHBondContact O-N 2.95Å; D238-K241 WeakPolarHBondContact O-CB 3.5Å; D238-K241 PolarHBondContact O-N 2.77Å; D238-K241 VanDerWaalsContact O-N 3.17Å; D238-E242 PolarHBondContact O-N 3.35Å
239A96.9Very high97.4Very high2 Ų224.5 Ų24.52%0.01714%0.136CC..Hα-helixtrans-63-40173.200000111.8F109 V232 N233 D236 K241 E242 A243F109-A239 HydrophobicContact CD1-CB 4.01Å; F109-A239 HydrophobicContact CE1-CB 4.09Å; V232-A239 HydrophobicContact CG1-CB 3.73Å; N233-A239 HydrophobicContact CB-CB 4.27Å; D236-A239 HydrophobicContact CB-CB 3.85Å; D236-A239 VanDerWaalsContact CG-CB 3.43Å; D236-A239 PolarHBondContact O-N 2.56Å; D236-A239 PolarHBondContact OD1-N 3.1Å; A239-K241 VanDerWaalsContact C-N 3.32Å; A239-K241 PolarHBondContact O-N 2.73Å; A239-E242 PolarHBondContact O-N 3.28Å; A239-A243 WeakPolarHBondContact O-CB 3.05Å; A239-A243 PolarHBondContact O-N 3.13Å
240L98.3Very high97.4Very high0 Ų023.6 Ų23.60%013%0.132CC..Hα-helixtrans-63-40.5173.2179.158.3000111.2V232 D236 E237 D238 E242 A243 V244 I250 V252 W297 I325 A326 A329V232-L240 HydrophobicContact CG1-CB 4.34Å; D236-L240 PolarHBondContact O-N 3.1Å; E237-L240 PolarHBondContact O-N 2.68Å; D238-L240 VanDerWaalsContact C-N 3.34Å; D238-L240 PolarHBondContact O-N 2.95Å; L240-E242 VanDerWaalsContact C-N 3.34Å; L240-E242 PolarHBondContact O-N 2.86Å; L240-A243 PolarHBondContact O-N 3.45Å; L240-V244 HydrophobicContact CD1-CG2 4.05Å; L240-V244 HydrophobicContact CG-CG2 4.4Å; L240-V244 WeakPolarHBondContact O-CG2 3.31Å; L240-V244 PolarHBondContact O-N 2.82Å; L240-I250 HydrophobicContact CD1-CB 4.17Å; L240-I250 HydrophobicContact CD1-CG1 4.41Å; L240-I250 HydrophobicContact CD1-CG2 3.89Å; L240-V252 HydrophobicContact CD1-CG1 4.13Å; L240-V252 HydrophobicContact CD2-CG1 4.32Å; L240-W297 HydrophobicContact CB-CH2 3.95Å; L240-W297 HydrophobicContact CB-CZ2 4.21Å; L240-W297 HydrophobicContact CD2-CD2 4.35Å; L240-W297 HydrophobicContact CD2-CE3 4.47Å; L240-W297 HydrophobicContact CD2-CH2 3.94Å; L240-W297 HydrophobicContact CD2-CZ2 3.76Å; L240-W297 HydrophobicContact CD2-CZ3 4.29Å; L240-W297 HydrophobicContact CG-CH2 3.65Å; L240-W297 HydrophobicContact CG-CZ2 3.98Å; L240-W297 HydrophobicContact CG-CZ3 3.98Å; L240-I325 HydrophobicContact CD2-CG1 4.35Å; L240-A326 HydrophobicContact CB-CB 4.29Å; L240-A326 HydrophobicContact CD2-CB 3.99Å; L240-A329 HydrophobicContact CD1-CB 3.86Å
241K98.1Very high97.5Very high28 Ų2823.1 Ų23.112%0.12213%0.13CC..Hα-helixtrans-64-43.9179.5-173-174.5168.2-168.30110.5L118 E237 D238 A239 V244 A245 Y288 W297L118-K241 HydrophobicContact CD1-CB 4.46Å; L118-K241 HydrophobicContact CD1-CD 4.26Å; L118-K241 HydrophobicContact CD1-CG 4.08Å; E237-K241 WeakPolarHBondContact O-CB 3.36Å; E237-K241 PolarHBondContact O-N 3.34Å; D238-K241 WeakPolarHBondContact O-CB 3.5Å; D238-K241 PolarHBondContact O-N 2.77Å; D238-K241 VanDerWaalsContact O-N 3.17Å; A239-K241 VanDerWaalsContact C-N 3.32Å; A239-K241 PolarHBondContact O-N 2.73Å; K241-V244 PolarHBondContact O-N 3.43Å; K241-A245 VanDerWaalsContact O-CB 3.25Å; K241-A245 WeakPolarHBondContact O-CB 3.34Å; K241-A245 PolarHBondContact O-N 3.26Å; K241-Y288 HydrophobicContact CD-CE2 4.37Å; K241-Y288 HydrophobicContact CG-CD1 4.05Å; K241-Y288 HydrophobicContact CG-CD2 4.4Å; K241-Y288 HydrophobicContact CG-CE1 3.65Å; K241-Y288 HydrophobicContact CG-CE2 4.05Å; K241-Y288 HydrophobicContact CG-CG 4.4Å; K241-Y288 WeakPolarHBondContact O-CE1 3.5Å; K241-W297 HydrophobicContact CB-CH2 3.74Å; K241-W297 HydrophobicContact CB-CZ3 4.36Å; K241-W297 HydrophobicContact CG-CH2 4.47Å
242E97.8Very high97.5Very high6 Ų622.8 Ų22.83%0.02813%0.128CC..Hα-helixtrans-61.6-46.9175.3-173.1-179.6170.300111.7F109 S111 L112 F113 L118 D238 A239 L240 A245 T246F109-E242 HydrophobicContact CE1-CB 4.31Å; F109-E242 HydrophobicContact CE1-CG 4.4Å; F109-E242 HydrophobicContact CZ-CB 4.13Å; F109-E242 HydrophobicContact CZ-CG 3.96Å; S111-E242 VanDerWaalsContact CA-OE2 3.3Å; S111-E242 WeakPolarHBondContact CA-OE2 3.48Å; S111-E242 WeakPolarHBondContact CB-OE2 3.06Å; S111-E242 PolarHBondContact OG-OE2 3.12Å; L112-E242 PolarHBondContact N-OE1 2.99Å; F113-E242 HydrophobicContact CB-CG 4.37Å; F113-E242 HydrophobicContact CD2-CG 4.27Å; F113-E242 WeakPolarHBondContact CD2-OE1 3.22Å; F113-E242 PolarHBondContact N-OE1 3.03Å; L118-E242 HydrophobicContact CD1-CB 3.92Å; L118-E242 HydrophobicContact CD1-CG 4.44Å; L118-E242 HydrophobicContact CD2-CG 4.3Å; D238-E242 PolarHBondContact O-N 3.35Å; A239-E242 PolarHBondContact O-N 3.28Å; L240-E242 VanDerWaalsContact C-N 3.34Å; L240-E242 PolarHBondContact O-N 2.86Å; E242-A245 PolarHBondContact O-N 3.49Å; E242-T246 HydrophobicContact CG-CG2 4.31Å; E242-T246 WeakPolarHBondContact O-CB 3.46Å; E242-T246 WeakPolarHBondContact O-CG2 3.38Å; E242-T246 PolarHBondContact O-N 3.22Å; E242-T246 PolarHBondContact O-OG1 2.78Å
243A97.9Very high97.5Very high0 Ų022.8 Ų22.80%013%0.127CC..Hα-helixtrans-59.6-49.8176.900000110.9F109 V232 A239 L240 A245 T246 I247 G248 I250 Y331F109-A243 HydrophobicContact CE2-CB 3.97Å; F109-A243 HydrophobicContact CZ-CB 4.1Å; V232-A243 HydrophobicContact CG2-CB 3.92Å; A239-A243 WeakPolarHBondContact O-CB 3.05Å; A239-A243 PolarHBondContact O-N 3.13Å; L240-A243 PolarHBondContact O-N 3.45Å; A243-A245 VanDerWaalsContact C-N 3.27Å; A243-A245 PolarHBondContact O-N 3.41Å; A243-T246 PolarHBondContact O-N 2.92Å; A243-I247 WeakPolarHBondContact O-CA 3.23Å; A243-I247 WeakPolarHBondContact O-CB 3.49Å; A243-I247 PolarHBondContact O-N 2.88Å; A243-G248 PolarHBondContact O-N 2.6Å; A243-I250 HydrophobicContact CB-CD1 3.97Å; A243-I250 HydrophobicContact CB-CG1 4.14Å; A243-Y331 HydrophobicContact CB-CE1 4.42Å
244V98.5Very high97.7Very high0 Ų019.4 Ų19.40%011%0.109CC..Hα-helixtrans-58.8-40.8177173.30000111.1V122 W124 L240 K241 G248 I250 A285 Y288 W297V122-V244 HydrophobicContact CG1-CG1 4.37Å; W124-V244 WeakPolarHBondContact CZ2-O 3.3Å; W124-V244 PolarHBondContact NE1-O 3.29Å; L240-V244 HydrophobicContact CD1-CG2 4.05Å; L240-V244 HydrophobicContact CG-CG2 4.4Å; L240-V244 WeakPolarHBondContact O-CG2 3.31Å; L240-V244 PolarHBondContact O-N 2.82Å; K241-V244 PolarHBondContact O-N 3.43Å; V244-G248 WeakPolarHBondContact CA-O 3.35Å; V244-I250 HydrophobicContact CB-CG1 4.47Å; V244-I250 HydrophobicContact CG2-CB 4.26Å; V244-I250 HydrophobicContact CG2-CG1 3.65Å; V244-A285 HydrophobicContact CG2-CB 4.11Å; V244-Y288 HydrophobicContact CB-CD1 4.13Å; V244-Y288 HydrophobicContact CB-CE1 4.19Å; V244-Y288 HydrophobicContact CG1-CD1 3.74Å; V244-Y288 HydrophobicContact CG1-CE1 3.98Å; V244-W297 HydrophobicContact CG2-CZ3 4.19Å
245A97.8Very high97.7Very high16 Ų1615.5 Ų15.513%0.1329%0.092CC..Hα-helixtrans-71.1-38.9-177.500000114.2L118 V122 K241 E242 A243 Y288L118-A245 HydrophobicContact CD2-CB 3.98Å; V122-A245 HydrophobicContact CG2-CB 4.37Å; K241-A245 VanDerWaalsContact O-CB 3.25Å; K241-A245 WeakPolarHBondContact O-CB 3.34Å; K241-A245 PolarHBondContact O-N 3.26Å; E242-A245 PolarHBondContact O-N 3.49Å; A243-A245 VanDerWaalsContact C-N 3.27Å; A243-A245 PolarHBondContact O-N 3.41Å; A245-Y288 HydrophobicContact CB-CE1 4.12Å; A245-Y288 VanDerWaalsContact CB-OH 3.31Å; A245-Y288 WeakPolarHBondContact CB-OH 2.94Å
246T96.1Very high97.7Very high42 Ų4214.1 Ų14.126%0.2588%0.077SC..Hα-helixtrans-107-20.7-16763.40000113.3F113 L118 R157 E242 A243F113-T246 HydrophobicContact CD2-CG2 3.89Å; F113-T246 HydrophobicContact CE2-CG2 3.88Å; L118-T246 HydrophobicContact CD2-CG2 4.12Å; R157-T246 PolarHBondContact NH2-O 3.41Å; E242-T246 HydrophobicContact CG-CG2 4.31Å; E242-T246 WeakPolarHBondContact O-CB 3.46Å; E242-T246 WeakPolarHBondContact O-CG2 3.38Å; E242-T246 PolarHBondContact O-N 3.22Å; E242-T246 PolarHBondContact O-OG1 2.78Å; A243-T246 PolarHBondContact O-N 2.92Å
247I96.9Very high97.6Very high24 Ų2411.4 Ų11.412%0.1236%0.064CC..THydrogen-bonded Turntrans-106.9-45.8-175.1-54.5-58.6000112.2Q154 R157 A243 I250 Y331Q154-I247 PolarHBondContact NE2-O 3.03Å; R157-I247 WeakPolarHBondContact CD-O 3.32Å; R157-I247 PolarHBondContact NH1-O 2.76Å; A243-I247 WeakPolarHBondContact O-CA 3.23Å; A243-I247 WeakPolarHBondContact O-CB 3.49Å; A243-I247 PolarHBondContact O-N 2.88Å; I247-I250 HydrophobicContact CB-CD1 4.26Å; I247-I250 HydrophobicContact CG2-CD1 4.26Å; I247-Y331 HydrophobicContact CD1-CE2 4.48Å; I247-Y331 HydrophobicContact CG1-CE1 4.27Å; I247-Y331 HydrophobicContact CG1-CE2 4.31Å; I247-Y331 HydrophobicContact CG2-CD1 4.33Å; I247-Y331 HydrophobicContact CG2-CD2 3.53Å; I247-Y331 HydrophobicContact CG2-CE1 4.36Å; I247-Y331 HydrophobicContact CG2-CE2 3.59Å; I247-Y331 HydrophobicContact CG2-CG 3.91Å
248G97.8Very high97.5Very high0 Ų012.4 Ų12.40%07%0.068CC..  trans135.3-160.1-17400000112.4W124 A243 V244 I250W124-G248 VanDerWaalsContact NE1-C 3.33Å; A243-G248 PolarHBondContact O-N 2.6Å; V244-G248 WeakPolarHBondContact CA-O 3.35Å; G248-I250 WeakPolarHBondContact O-CG1 3.24Å
249P98.7Very high97.5Very high0 Ų010 Ų100%06%0.058CC..  trans-57.9138.9168.7-25.435.9000112.6W124 V130 S150 L284 A285 V286W124-P249 HydrophobicContact CB-CG 4.02Å; W124-P249 HydrophobicContact CG-CG 4.12Å; V130-P249 HydrophobicContact CG2-CG 4Å; S150-P249 PolarHBondContact OG-O 2.63Å; P249-L284 HydrophobicContact CB-CD1 3.89Å; P249-L284 HydrophobicContact CB-CD2 3.87Å; P249-L284 HydrophobicContact CB-CG 3.93Å; P249-A285 CarbonylContact C-O 3.55Å; P249-A285 VanDerWaalsContact CA-O 3.29Å; P249-A285 WeakPolarHBondContact CA-O 3.48Å; P249-V286 HydrophobicContact CB-CG1 4.22Å; P249-V286 HydrophobicContact CG-CG1 4.5Å
250I98.9Very high97.5Very high0 Ų010.1 Ų10.10%06%0.059CC..EExtended strand (participates in β ladder)trans-123.4131.9-175.6-51.8-60.8000109.8L240 A243 V244 I247 G248 V252 L284 A285 A329 S330 Y331L240-I250 HydrophobicContact CD1-CB 4.17Å; L240-I250 HydrophobicContact CD1-CG1 4.41Å; L240-I250 HydrophobicContact CD1-CG2 3.89Å; A243-I250 HydrophobicContact CB-CD1 3.97Å; A243-I250 HydrophobicContact CB-CG1 4.14Å; V244-I250 HydrophobicContact CB-CG1 4.47Å; V244-I250 HydrophobicContact CG2-CB 4.26Å; V244-I250 HydrophobicContact CG2-CG1 3.65Å; I247-I250 HydrophobicContact CB-CD1 4.26Å; I247-I250 HydrophobicContact CG2-CD1 4.26Å; G248-I250 WeakPolarHBondContact O-CG1 3.24Å; I250-V252 HydrophobicContact CG2-CG1 4.35Å; I250-L284 WeakPolarHBondContact O-CD1 3.31Å; I250-A285 PolarHBondContact N-O 2.89Å; I250-A285 PolarHBondContact O-N 3.47Å; I250-A329 HydrophobicContact CG2-CB 4.24Å; I250-S330 WeakPolarHBondContact CG2-O 3.44Å; I250-Y331 HydrophobicContact CD1-CD1 3.73Å; I250-Y331 HydrophobicContact CD1-CG 3.94Å
251S98.9Very high97.5Very high0 Ų010.1 Ų10.10%06%0.059CC..EExtended strand (participates in β ladder)trans-70.1131.6173.1-61.40000109.1S146 S150 A329 S330S146-S251 PolarHBondContact O-OG 2.78Å; S146-S251 WeakPolarHBondContact OG-CA 3.4Å; S146-S251 WeakPolarHBondContact OG-CB 3.35Å; S146-S251 PolarHBondContact OG-OG 3.03Å; S150-S251 WeakPolarHBondContact CB-OG 3.35Å; S251-A329 CarbonylContact O-C 3.2Å; S251-A329 VanDerWaalsContact O-CA 3.25Å; S251-A329 WeakPolarHBondContact O-CA 3.41Å; S251-S330 VanDerWaalsContact CB-O 3.31Å; S251-S330 WeakPolarHBondContact CB-O 2.98Å; S251-S330 PolarHBondContact N-O 3.44Å; S251-S330 PolarHBondContact O-N 2.79Å
252V98.8Very high97.5Very high0 Ų08.8 Ų8.80%05%0.053CC..EExtended strand (participates in β ladder)trans-136.2148.1179.3-59.60000110.9L240 I250 G282 V283 A285 I325 A328 A329L240-V252 HydrophobicContact CD1-CG1 4.13Å; L240-V252 HydrophobicContact CD2-CG1 4.32Å; I250-V252 HydrophobicContact CG2-CG1 4.35Å; V252-G282 CarbonylContact O-C 3.45Å; V252-G282 WeakPolarHBondContact O-CA 3.42Å; V252-V283 HydrophobicContact CG2-CG2 3.51Å; V252-V283 PolarHBondContact N-O 3.32Å; V252-V283 PolarHBondContact O-N 3.07Å; V252-V283 VanDerWaalsContact O-O 3.12Å; V252-A285 HydrophobicContact CG1-CB 4.04Å; V252-A285 HydrophobicContact CG2-CB 4.39Å; V252-I325 HydrophobicContact CB-CG1 4.32Å; V252-I325 WeakPolarHBondContact CB-O 3.33Å; V252-I325 WeakPolarHBondContact CG1-O 3.35Å; V252-I325 HydrophobicContact CG2-CG1 3.99Å; V252-A328 WeakPolarHBondContact CA-O 3.4Å; V252-A329 HydrophobicContact CG1-CB 3.88Å
253G97.6Very high97.5Very high0 Ų08.5 Ų8.50%05%0.052CC..EExtended strand (participates in β ladder)trans-97.3145.316600000111.2H281 G324 A328G253-H281 CarbonylContact C-O 3.45Å; G253-H281 WeakPolarHBondContact CA-O 3.4Å; G253-G324 VanDerWaalsContact O-O 3.09Å; G253-A328 PolarHBondContact N-O 3.27Å
254I97.9Very high97.5Very high0 Ų08.5 Ų8.50%05%0.052CC..EExtended strand (participates in β ladder)trans-136.9160.2177.260.9168.2000111.7A256 F261 L279 D280 H281 V283 M315 C323 I325I254-A256 HydrophobicContact CD1-CB 4.16Å; I254-A256 HydrophobicContact CG1-CB 4.31Å; I254-F261 HydrophobicContact CD1-CE2 3.52Å; I254-F261 HydrophobicContact CD1-CZ 3.5Å; I254-F261 VanDerWaalsContact CD1-CZ 3.5Å; I254-L279 WeakPolarHBondContact O-CA 3.07Å; I254-D280 PolarHBondContact O-N 2.81Å; I254-H281 HydrophobicContact CG1-CB 4.08Å; I254-H281 WeakPolarHBondContact CG1-O 3.16Å; I254-H281 PolarHBondContact N-O 3.28Å; I254-H281 PolarHBondContact O-N 3.25Å; I254-V283 HydrophobicContact CD1-CG1 4.15Å; I254-V283 HydrophobicContact CD1-CG2 3.96Å; I254-V283 HydrophobicContact CG1-CG1 4.49Å; I254-V283 HydrophobicContact CG1-CG2 4.04Å; I254-V283 HydrophobicContact CG2-CG2 4.08Å; I254-M315 HydrophobicContact CB-CE 4.19Å; I254-M315 HydrophobicContact CD1-CE 3.93Å; I254-M315 HydrophobicContact CD1-SD 3.81Å; I254-M315 HydrophobicContact CG2-CE 3.91Å; I254-M315 HydrophobicContact CG2-SD 4.03Å; I254-C323 CarbonylContact C-O 3.18Å; I254-C323 WeakPolarHBondContact CA-O 3.49Å; I254-I325 HydrophobicContact CG2-CB 3.98Å; I254-I325 HydrophobicContact CG2-CD1 4.43Å; I254-I325 HydrophobicContact CG2-CG1 4.05Å
255D96.7Very high97.5Very high15 Ų1512.7 Ų12.78%0.087%0.071CC..  trans-81.5109.5158.5177.55.5000109.4G257 H258 C274 S275 C323D255-G257 PolarHBondContact OD1-N 2.95Å; D255-H258 IonicContact OD1-CD2 3.82Å; D255-H258 IonicContact OD1-NE2 2.89Å; D255-H258 IonicContact OD2-CD2 2.61Å; D255-H258 IonicContact OD2-NE2 3.21Å; D255-H258 PolarHBondContact OD2-NE2 2.74Å; D255-C274 WeakPolarHBondContact OD2-CA 3.42Å; D255-S275 PolarHBondContact OD2-N 3.49Å; D255-C323 HydrophobicContact CB-CB 4.34Å; D255-C323 PolarHBondContact N-O 2.9Å
256A96.2Very high97.6Very high0 Ų013.8 Ų13.80%08%0.078CC..  trans-113.710.317800000112.3Y86 I90 I254 H258 F261 D280 H281Y86-A256 WeakPolarHBondContact CE1-O 3.48Å; Y86-A256 PolarHBondContact OH-O 2.88Å; I90-A256 HydrophobicContact CG2-CB 4.29Å; I254-A256 HydrophobicContact CD1-CB 4.16Å; I254-A256 HydrophobicContact CG1-CB 4.31Å; A256-H258 PolarHBondContact O-N 3.03Å; A256-F261 HydrophobicContact CB-CD1 3.66Å; A256-F261 HydrophobicContact CB-CD2 4.26Å; A256-F261 HydrophobicContact CB-CE1 3.7Å; A256-F261 HydrophobicContact CB-CE2 4.3Å; A256-F261 HydrophobicContact CB-CG 3.95Å; A256-F261 HydrophobicContact CB-CZ 4.03Å; A256-D280 PolarHBondContact N-OD1 2.77Å; A256-H281 HydrophobicContact CB-CB 3.55Å
257G94.5Very high97.7Very high3 Ų312.9 Ų12.93%0.0318%0.077CC..  trans-71.2-10.5-171.600000115.2N83 R87 D255 D280N83-G257 PolarHBondContact ND2-O 2.88Å; R87-G257 VanDerWaalsContact CD-O 3.29Å; R87-G257 WeakPolarHBondContact CD-O 3.4Å; R87-G257 WeakPolarHBondContact CG-O 3.16Å; D255-G257 PolarHBondContact OD1-N 2.95Å; G257-D280 PolarHBondContact N-OD2 3.3Å
258H96Very high97.8Very high39 Ų3912 Ų1218%0.1817%0.073CC..SBendtrans-78.8146.4-173.1-62.6-79.3000113.2D255 A256 S260 F261 Q262 E271 D273 C274D255-H258 IonicContact OD1-CD2 3.82Å; D255-H258 IonicContact OD1-NE2 2.89Å; D255-H258 IonicContact OD2-CD2 2.61Å; D255-H258 IonicContact OD2-NE2 3.21Å; D255-H258 PolarHBondContact OD2-NE2 2.74Å; A256-H258 PolarHBondContact O-N 3.03Å; H258-S260 PolarHBondContact O-N 3.3Å; H258-F261 WeakPolarHBondContact O-CB 3Å; H258-F261 PolarHBondContact O-N 2.85Å; H258-Q262 PolarHBondContact O-N 3.47Å; H258-E271 HydrophobicContact CB-CG 4.07Å; H258-D273 VanDerWaalsContact CE1-C 3.47Å; H258-D273 PolarHBondContact CE1-O 3.11Å; H258-D273 PolarHBondContact NE2-O 3.26Å; H258-C274 WeakPolarHBondContact NE2-CA 3.42Å
259S96.9Very high97.8Very high35 Ų3512 Ų1225%0.2457%0.073CC..Hα-helixtrans-60.6-27.8175.861.70000112.8L56 N83 Q262 L263L56-S259 WeakPolarHBondContact CD1-OG 3.26Å; N83-S259 PolarHBondContact ND2-N 3.32Å; N83-S259 VanDerWaalsContact ND2-N 3.19Å; S259-Q262 WeakPolarHBondContact O-CB 3.45Å; S259-L263 WeakPolarHBondContact O-CB 3.49Å; S259-L263 WeakPolarHBondContact O-CG 3.17Å; S259-L263 PolarHBondContact O-N 2.94Å; S259-L263 VanDerWaalsContact O-N 3.12Å
260S98.1Very high97.8Very high5 Ų513.6 Ų13.64%0.0358%0.081CC..Hα-helixtrans-69.5-34.1174.155.80000112.6Y71 L73 H258 Y264 Y269 E271Y71-S260 WeakPolarHBondContact OH-CB 3.48Å; L73-S260 WeakPolarHBondContact CD2-O 3.41Å; H258-S260 PolarHBondContact O-N 3.3Å; S260-Y264 PolarHBondContact O-N 3.09Å; S260-Y264 VanDerWaalsContact O-N 3.1Å; S260-Y269 PolarHBondContact OG-OH 2.81Å; S260-Y269 VanDerWaalsContact OG-OH 3.13Å; S260-E271 VanDerWaalsContact CB-OE2 3.24Å; S260-E271 WeakPolarHBondContact CB-OE2 3.4Å; S260-E271 PolarHBondContact OG-OE2 3.38Å
261F97.9Very high97.7Very high0 Ų014.6 Ų14.60%09%0.086CC..Hα-helixtrans-72.4-46.4172.1-162.2-81.4000110.8Y86 I254 A256 H258 L263 Y264 Y269 W303 W307 I313 M315Y86-F261 WeakPolarHBondContact OH-CD1 2.85Å; I254-F261 HydrophobicContact CD1-CE2 3.52Å; I254-F261 HydrophobicContact CD1-CZ 3.5Å; I254-F261 VanDerWaalsContact CD1-CZ 3.5Å; A256-F261 HydrophobicContact CB-CD1 3.66Å; A256-F261 HydrophobicContact CB-CD2 4.26Å; A256-F261 HydrophobicContact CB-CE1 3.7Å; A256-F261 HydrophobicContact CB-CE2 4.3Å; A256-F261 HydrophobicContact CB-CG 3.95Å; A256-F261 HydrophobicContact CB-CZ 4.03Å; H258-F261 WeakPolarHBondContact O-CB 3Å; H258-F261 PolarHBondContact O-N 2.85Å; F261-L263 PolarHBondContact O-N 2.86Å; F261-L263 VanDerWaalsContact O-N 3.12Å; F261-Y264 WeakPolarHBondContact O-CB 3.46Å; F261-Y264 PolarHBondContact O-N 2.6Å; F261-Y264 VanDerWaalsContact O-N 3.1Å; F261-Y269 HydrophobicContact CB-CE2 4.24Å; F261-Y269 HydrophobicContact CD2-CD1 4.4Å; F261-Y269 AromaticContact CD2-CE1 3.87Å; F261-Y269 HydrophobicContact CD2-CE1 3.87Å; F261-Y269 HydrophobicContact CD2-CE2 4.36Å; F261-Y269 AromaticContact CD2-CZ 3.84Å; F261-W303 AromaticContact CD1-CH2 3.6Å; F261-W303 HydrophobicContact CD1-CH2 3.6Å; F261-W303 AromaticContact CD1-CZ3 3.64Å; F261-W303 HydrophobicContact CD1-CZ3 3.64Å; F261-W303 HydrophobicContact CE1-CE3 4.47Å; F261-W303 AromaticContact CE1-CH2 3.35Å; F261-W303 HydrophobicContact CE1-CH2 3.35Å; F261-W303 HydrophobicContact CE1-CZ2 4.38Å; F261-W303 AromaticContact CE1-CZ3 3.42Å; F261-W303 HydrophobicContact CE1-CZ3 3.42Å; F261-W303 VanDerWaalsContact CE1-CZ3 3.42Å; F261-W307 HydrophobicContact CD1-CH2 4.37Å; F261-W307 AromaticContact CD1-CZ2 3.78Å; F261-W307 HydrophobicContact CD1-CZ2 3.78Å; F261-W307 AromaticContact CE1-CH2 3.69Å; F261-W307 HydrophobicContact CE1-CH2 3.69Å; F261-W307 AromaticContact CE1-CZ2 3.48Å; F261-W307 HydrophobicContact CE1-CZ2 3.48Å; F261-W307 VanDerWaalsContact CE1-CZ2 3.48Å; F261-W307 HydrophobicContact CE2-CH2 4.5Å; F261-W307 AromaticContact CZ-CH2 3.76Å; F261-W307 HydrophobicContact CZ-CH2 3.76Å; F261-W307 HydrophobicContact CZ-CZ2 4.01Å; F261-W307 WeakPolarHBondContact O-CZ2 3.24Å; F261-W307 PolarHBondContact O-NE1 3.22Å; F261-I313 HydrophobicContact CD2-CD1 4.03Å; F261-I313 HydrophobicContact CE2-CD1 3.63Å; F261-I313 HydrophobicContact CZ-CD1 4.2Å; F261-M315 HydrophobicContact CE2-CE 4.33Å; F261-M315 HydrophobicContact CE2-SD 4.37Å
262Q97.1Very high97.6Very high0 Ų019 Ų190%012%0.115CC..Hα-helixtrans-48.9-41.1175.7178.4-177.3-8.300112T76 F78 M81 N83 Y86 H258 S259 W307T76-Q262 PolarHBondContact OG1-O 3.37Å; F78-Q262 HydrophobicContact CB-CG 3.59Å; F78-Q262 HydrophobicContact CD2-CG 4.46Å; F78-Q262 HydrophobicContact CG-CG 4.22Å; F78-Q262 PolarHBondContact O-NE2 2.82Å; M81-Q262 PolarHBondContact O-NE2 2.74Å; N83-Q262 PolarHBondContact ND2-OE1 3.42Å; Y86-Q262 HydrophobicContact CD1-CB 3.88Å; Y86-Q262 HydrophobicContact CD1-CG 4.13Å; Y86-Q262 HydrophobicContact CD2-CB 3.95Å; Y86-Q262 HydrophobicContact CD2-CG 3.6Å; Y86-Q262 HydrophobicContact CE1-CB 3.74Å; Y86-Q262 HydrophobicContact CE1-CG 4.4Å; Y86-Q262 HydrophobicContact CE2-CB 3.79Å; Y86-Q262 HydrophobicContact CE2-CG 3.89Å; Y86-Q262 HydrophobicContact CG-CB 3.97Å; Y86-Q262 HydrophobicContact CG-CG 3.71Å; H258-Q262 PolarHBondContact O-N 3.47Å; S259-Q262 WeakPolarHBondContact O-CB 3.45Å; Q262-W307 PolarHBondContact O-NE1 2.74Å
263L98.5Very high97.5Very high0 Ų025 Ų250%015%0.147CC..THydrogen-bonded Turntrans-10510-173.8-59.5171000113.3N53 L56 V57 L73 G74 A79 S259 F261 E265N53-L263 HydrophobicContact CB-CD1 4.01Å; N53-L263 HydrophobicContact CB-CD2 4.48Å; L56-L263 HydrophobicContact CD2-CD1 3.99Å; V57-L263 HydrophobicContact CG2-CB 4.49Å; V57-L263 HydrophobicContact CG2-CD1 4.17Å; L73-L263 CarbonylContact C-O 3.56Å; L73-L263 VanDerWaalsContact CA-O 3.22Å; L73-L263 WeakPolarHBondContact CA-O 3.43Å; L73-L263 HydrophobicContact CB-CB 4.24Å; L73-L263 HydrophobicContact CD2-CB 4.23Å; G74-L263 PolarHBondContact N-O 2.67Å; A79-L263 HydrophobicContact CB-CD2 4.08Å; S259-L263 WeakPolarHBondContact O-CB 3.49Å; S259-L263 WeakPolarHBondContact O-CG 3.17Å; S259-L263 PolarHBondContact O-N 2.94Å; S259-L263 VanDerWaalsContact O-N 3.12Å; F261-L263 PolarHBondContact O-N 2.86Å; F261-L263 VanDerWaalsContact O-N 3.12Å; L263-E265 PolarHBondContact O-N 2.72Å
264Y98.7Very high97.4Very high0 Ų026 Ų260%015%0.153CC..EExtended strand (participates in β ladder)trans-57.5132.9-179.3172.8-94000111.7Y71 S260 F261 S266 G267 Y269 W307 G308 I313 K314Y71-Y264 HydrophobicContact CD2-CD2 4.05Å; S260-Y264 PolarHBondContact O-N 3.09Å; S260-Y264 VanDerWaalsContact O-N 3.1Å; F261-Y264 WeakPolarHBondContact O-CB 3.46Å; F261-Y264 PolarHBondContact O-N 2.6Å; F261-Y264 VanDerWaalsContact O-N 3.1Å; Y264-S266 WeakPolarHBondContact CE2-O 3.4Å; Y264-G267 WeakPolarHBondContact CE2-O 3.35Å; Y264-G267 PolarHBondContact OH-N 3.02Å; Y264-G267 PolarHBondContact OH-O 2.87Å; Y264-Y269 AromaticContact CD2-CD2 3.97Å; Y264-Y269 HydrophobicContact CD2-CD2 3.97Å; Y264-Y269 HydrophobicContact CD2-CG 4.45Å; Y264-W307 AromaticContact CD1-CH2 3.99Å; Y264-W307 HydrophobicContact CD1-CH2 3.99Å; Y264-W307 HydrophobicContact CD1-CZ2 4.15Å; Y264-W307 HydrophobicContact CD1-CZ3 4.36Å; Y264-W307 HydrophobicContact CG-CZ2 4.47Å; Y264-G308 PolarHBondContact O-N 3.45Å; Y264-I313 HydrophobicContact CD1-CB 3.99Å; Y264-I313 HydrophobicContact CD1-CD1 3.79Å; Y264-I313 HydrophobicContact CD1-CG1 3.85Å; Y264-I313 HydrophobicContact CD2-CD1 3.86Å; Y264-I313 HydrophobicContact CD2-CG1 4.16Å; Y264-I313 HydrophobicContact CE1-CB 3.63Å; Y264-I313 HydrophobicContact CE1-CD1 4.05Å; Y264-I313 HydrophobicContact CE1-CG1 3.56Å; Y264-I313 HydrophobicContact CE2-CD1 4.09Å; Y264-I313 HydrophobicContact CE2-CG1 3.87Å; Y264-I313 HydrophobicContact CG-CD1 3.7Å; Y264-I313 HydrophobicContact CG-CG1 4.14Å; Y264-K314 PolarHBondContact OH-N 2.91Å
265E98.6Very high97.2Very high87 Ų8727.4 Ų27.441%0.40716%0.163SC..EExtended strand (participates in β ladder)trans-119.3-47.4176.9-177.3174.1-126.600112.2R72 L263 G308 V309R72-E265 PolarHBondContact O-N 2.75Å; L263-E265 PolarHBondContact O-N 2.72Å; E265-G308 CarbonylContact O-C 3.54Å; E265-V309 WeakPolarHBondContact O-CG2 3.42Å; E265-V309 PolarHBondContact O-N 3.34Å
266S98.7Very high97.2Very high39 Ų3929.2 Ų29.227%0.27318%0.177SC..EExtended strand (participates in β ladder)trans-164.7168.8-176.160.50000113.5Y71 R72 Y264Y71-S266 CarbonylContact C-O 3.55Å; Y71-S266 VanDerWaalsContact CA-O 3.25Å; Y71-S266 WeakPolarHBondContact CA-O 3.28Å; Y71-S266 WeakPolarHBondContact CB-O 3.4Å; R72-S266 PolarHBondContact N-O 2.88Å; R72-S266 PolarHBondContact O-N 2.83Å; Y264-S266 WeakPolarHBondContact CE2-O 3.4Å
267G98.6Very high97.1Very high24 Ų2432 Ų3225%0.24720%0.195CC..EExtended strand (participates in β ladder)trans88.1-175.9179.700000113.4Y264 Y269Y264-G267 WeakPolarHBondContact CE2-O 3.35Å; Y264-G267 PolarHBondContact OH-N 3.02Å; Y264-G267 PolarHBondContact OH-O 2.87Å; G267-Y269 PolarHBondContact O-N 3.39Å
268V98.8Very high97.1Very high5 Ų538.6 Ų38.63%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-87.3106.6-179.4-178.90000108.7S70 D270 D291 L294 Y296 K314S70-V268 WeakPolarHBondContact CB-O 3.27Å; S70-V268 PolarHBondContact O-N 2.78Å; S70-V268 PolarHBondContact OG-O 3.07Å; V268-D270 PolarHBondContact O-N 3Å; V268-D291 HydrophobicContact CG2-CB 4.05Å; V268-L294 HydrophobicContact CB-CB 4.32Å; V268-L294 HydrophobicContact CB-CD1 4.24Å; V268-L294 HydrophobicContact CG1-CB 4.28Å; V268-L294 HydrophobicContact CG2-CB 4.12Å; V268-Y296 HydrophobicContact CG2-CD1 4.32Å; V268-K314 CarbonylContact C-O 3.53Å; V268-K314 HydrophobicContact CG2-CB 4.34Å; V268-K314 HydrophobicContact CG2-CD 4.37Å
269Y98.8Very high97.1Very high0 Ų037.3 Ų37.30%022%0.219CC..EExtended strand (participates in β ladder)trans-63.2128.1-178.7179.4-101000111.2Y71 S260 F261 Y264 G267 E271 I313 K314 M315 S316Y71-Y269 AromaticContact CD2-CD2 3.88Å; Y71-Y269 HydrophobicContact CD2-CD2 3.88Å; Y71-Y269 AromaticContact CE2-CD2 3.6Å; Y71-Y269 HydrophobicContact CE2-CD2 3.6Å; Y71-Y269 AromaticContact CE2-CE2 3.87Å; Y71-Y269 HydrophobicContact CE2-CE2 3.87Å; Y71-Y269 HydrophobicContact CG-CD2 4.42Å; Y71-Y269 AromaticContact CZ-CD2 3.97Å; S260-Y269 PolarHBondContact OG-OH 2.81Å; S260-Y269 VanDerWaalsContact OG-OH 3.13Å; F261-Y269 HydrophobicContact CB-CE2 4.24Å; F261-Y269 HydrophobicContact CD2-CD1 4.4Å; F261-Y269 AromaticContact CD2-CE1 3.87Å; F261-Y269 HydrophobicContact CD2-CE1 3.87Å; F261-Y269 HydrophobicContact CD2-CE2 4.36Å; F261-Y269 AromaticContact CD2-CZ 3.84Å; Y264-Y269 AromaticContact CD2-CD2 3.97Å; Y264-Y269 HydrophobicContact CD2-CD2 3.97Å; Y264-Y269 HydrophobicContact CD2-CG 4.45Å; G267-Y269 PolarHBondContact O-N 3.39Å; Y269-E271 HydrophobicContact CE1-CB 3.76Å; Y269-E271 HydrophobicContact CE2-CB 4.23Å; Y269-E271 VanDerWaalsContact CZ-CB 3.48Å; Y269-E271 WeakPolarHBondContact OH-CB 3.1Å; Y269-I313 HydrophobicContact CD1-CD1 4.26Å; Y269-I313 HydrophobicContact CD2-CD1 4.26Å; Y269-I313 HydrophobicContact CG-CD1 3.83Å; Y269-K314 WeakPolarHBondContact CB-O 3.23Å; Y269-K314 PolarHBondContact N-O 2.98Å; Y269-M315 HydrophobicContact CD1-CE 4.4Å; Y269-S316 WeakPolarHBondContact O-CB 3.44Å; Y269-S316 PolarHBondContact O-N 2.89Å
270D98Very high96.9Very high33 Ų3336.3 Ų36.318%0.17621%0.211CC..  trans-144.494.9-174.2-176.330.5000110.6Y71 V268 K319 Q322Y71-D270 HydrophobicContact CD1-CB 4.47Å; Y71-D270 HydrophobicContact CE1-CB 4.37Å; Y71-D270 VanDerWaalsContact CE1-O 3.29Å; Y71-D270 WeakPolarHBondContact CE1-O 3.41Å; V268-D270 PolarHBondContact O-N 3Å; D270-K319 VanDerWaalsContact OD1-CE 3.31Å; D270-K319 WeakPolarHBondContact OD1-CE 3.34Å; D270-K319 IonicContact OD1-NZ 3.68Å; D270-K319 PolarHBondContact OD1-NZ 3Å; D270-K319 IonicContact OD2-NZ 3.63Å; D270-K319 PolarHBondContact OD2-NZ 3.48Å; D270-Q322 PolarHBondContact OD1-NE2 2.61Å
271E97.3Very high96.9Very high21 Ų2136.1 Ų36.110%0.09821%0.209CC..  trans-113.3104.6-178.1-178.853.7-9800110.6H258 S260 Y269 D273 C274H258-E271 HydrophobicContact CB-CG 4.07Å; S260-E271 VanDerWaalsContact CB-OE2 3.24Å; S260-E271 WeakPolarHBondContact CB-OE2 3.4Å; S260-E271 PolarHBondContact OG-OE2 3.38Å; Y269-E271 HydrophobicContact CE1-CB 3.76Å; Y269-E271 HydrophobicContact CE2-CB 4.23Å; Y269-E271 VanDerWaalsContact CZ-CB 3.48Å; Y269-E271 WeakPolarHBondContact OH-CB 3.1Å; E271-D273 PolarHBondContact O-N 3.3Å; E271-D273 PolarHBondContact OE1-N 3.42Å; E271-C274 HydrophobicContact CB-CB 4.42Å; E271-C274 HydrophobicContact CG-CB 4.5Å; E271-C274 VanDerWaalsContact O-CB 3.3Å; E271-C274 WeakPolarHBondContact O-CB 3.3Å; E271-C274 PolarHBondContact O-N 3.49Å; E271-C274 VanDerWaalsContact O-N 3.16Å
272P96Very high96.9Very high94 Ų9436.1 Ų36.161%0.6121%0.209SC*.THydrogen-bonded Turntrans-59.4-27.3179.8-26.735.9000114.7C274P272-C274 VanDerWaalsContact C-N 3.29Å
273D95.8Very high97Very high125 Ų12536.2 Ų36.267%0.66821%0.21SC*.THydrogen-bonded Turntrans-85.5-1.1-178.3-67.1-30.1000113.2H258 E271 S275H258-D273 VanDerWaalsContact CE1-C 3.47Å; H258-D273 PolarHBondContact CE1-O 3.11Å; H258-D273 PolarHBondContact NE2-O 3.26Å; E271-D273 PolarHBondContact O-N 3.3Å; E271-D273 PolarHBondContact OE1-N 3.42Å; D273-S275 PolarHBondContact O-N 3.31Å
274C95.3Very high97Very high20 Ų2036.5 Ų36.514%0.13521%0.211CC..  trans-61.2132.2174.6-100.80000112.2D255 H258 E271 P272 Q322 C323D255-C274 WeakPolarHBondContact OD2-CA 3.42Å; H258-C274 WeakPolarHBondContact NE2-CA 3.42Å; E271-C274 HydrophobicContact CB-CB 4.42Å; E271-C274 HydrophobicContact CG-CB 4.5Å; E271-C274 VanDerWaalsContact O-CB 3.3Å; E271-C274 WeakPolarHBondContact O-CB 3.3Å; E271-C274 PolarHBondContact O-N 3.49Å; E271-C274 VanDerWaalsContact O-N 3.16Å; P272-C274 VanDerWaalsContact C-N 3.29Å; C274-Q322 HydrophobicContact CB-CG 4.35Å; C274-C323 HydrophobicContact CB-CB 3.72Å; C274-C323 WeakPolarHBondContact CB-SG 3.43Å; C274-C323 WeakPolarHBondContact SG-CB 3.24Å; C274-C323 CovalentContact SG-SG 2.04Å; C274-C323 PolarHBondContact SG-SG 3.39Å
275S95.6Very high97Very high30 Ų3036.5 Ų36.521%0.2121%0.211CC..  trans-77.6140.6170.8-173.40000111.5D255 D273 T277 E278 C323 G324D255-S275 PolarHBondContact OD2-N 3.49Å; D273-S275 PolarHBondContact O-N 3.31Å; S275-T277 VanDerWaalsContact C-N 3.33Å; S275-T277 PolarHBondContact OG-N 2.87Å; S275-T277 VanDerWaalsContact OG-N 3.15Å; S275-T277 PolarHBondContact OG-OG1 3.12Å; S275-E278 WeakPolarHBondContact OG-CB 3.5Å; S275-E278 WeakPolarHBondContact OG-CG 3.38Å; S275-E278 PolarHBondContact OG-N 3.12Å; S275-C323 CarbonylContact O-C 3.3Å; S275-C323 VanDerWaalsContact O-CA 3.26Å; S275-C323 WeakPolarHBondContact O-CA 3.38Å; S275-G324 PolarHBondContact O-N 3.44Å
276S96.6Very high97Very high53 Ų5332.3 Ų32.337%0.37119%0.192SC..SBendtrans-85.6-5.7169.264.10000113.1T327S276-T327 WeakPolarHBondContact O-CB 3.35Å; S276-T327 PolarHBondContact O-OG1 3.48Å
277T94.3Very high97Very high60 Ų6030.5 Ų30.537%0.36818%0.179SC..SBendtrans-131.2-26.3-172.857.80000114.7F98 A100 S275 L279F98-T277 WeakPolarHBondContact CE1-O 3.48Å; A100-T277 HydrophobicContact CB-CG2 4.35Å; S275-T277 VanDerWaalsContact C-N 3.33Å; S275-T277 PolarHBondContact OG-N 2.87Å; S275-T277 VanDerWaalsContact OG-N 3.15Å; S275-T277 PolarHBondContact OG-OG1 3.12Å; T277-L279 PolarHBondContact O-N 3.31Å
278E93.7Very high97Very high140 Ų14029.4 Ų29.465%0.65417%0.167SC*.  trans-9074.1178.1-56.7-56.7128.800109.1S275S275-E278 WeakPolarHBondContact OG-CB 3.5Å; S275-E278 WeakPolarHBondContact OG-CG 3.38Å; S275-E278 PolarHBondContact OG-N 3.12Å
279L95Very high97Very high12 Ų1229.1 Ų29.16%0.06317%0.166CC..  trans-84.1136.2-178.3-42.6179.7000109.9L95 F98 I254 T277 T327 A328L95-L279 HydrophobicContact CD1-CB 4.01Å; F98-L279 HydrophobicContact CD1-CB 3.85Å; F98-L279 HydrophobicContact CD1-CD1 3.98Å; F98-L279 HydrophobicContact CD1-CG 3.88Å; F98-L279 HydrophobicContact CE1-CB 4.04Å; F98-L279 HydrophobicContact CE1-CD1 3.41Å; F98-L279 VanDerWaalsContact CE1-CD1 3.41Å; F98-L279 HydrophobicContact CE1-CG 3.52Å; F98-L279 HydrophobicContact CE2-CD1 4.26Å; F98-L279 HydrophobicContact CZ-CD1 3.59Å; F98-L279 HydrophobicContact CZ-CG 4.22Å; I254-L279 WeakPolarHBondContact O-CA 3.07Å; T277-L279 PolarHBondContact O-N 3.31Å; L279-T327 HydrophobicContact CD1-CG2 4.03Å; L279-A328 HydrophobicContact CD1-CB 3.46Å; L279-A328 VanDerWaalsContact CD1-CB 3.46Å
280D94.6Very high97Very high15 Ų1532.8 Ų32.88%0.0819%0.188CC..  trans-129.4-11.9-177.267.5-0.3000114.1S91 C94 L95 I254 A256 G257S91-D280 PolarHBondContact OG-OD2 3.29Å; C94-D280 WeakPolarHBondContact CB-O 3.25Å; L95-D280 PolarHBondContact N-O 3.12Å; I254-D280 PolarHBondContact O-N 2.81Å; A256-D280 PolarHBondContact N-OD1 2.77Å; G257-D280 PolarHBondContact N-OD2 3.3Å
281H97.3Very high96.9Very high0 Ų033.4 Ų33.40%019%0.191CC..EExtended strand (participates in β ladder)trans-134.3124.6-176.6-165.153.1000112.7I90 L95 C142 G253 I254 A256 V283 N301 W303I90-H281 HydrophobicContact CG2-CB 3.77Å; L95-H281 VanDerWaalsContact CD1-C 3.44Å; C142-H281 WeakPolarHBondContact CB-CE1 3.33Å; C142-H281 VanDerWaalsContact SG-CE1 3.57Å; C142-H281 PolarHBondContact SG-ND1 3.15Å; G253-H281 CarbonylContact C-O 3.45Å; G253-H281 WeakPolarHBondContact CA-O 3.4Å; I254-H281 HydrophobicContact CG1-CB 4.08Å; I254-H281 WeakPolarHBondContact CG1-O 3.16Å; I254-H281 PolarHBondContact N-O 3.28Å; I254-H281 PolarHBondContact O-N 3.25Å; A256-H281 HydrophobicContact CB-CB 3.55Å; H281-V283 WeakPolarHBondContact CD2-CG1 3.36Å; H281-V283 WeakPolarHBondContact NE2-CG1 3.18Å; H281-N301 PolarHBondContact NE2-OD1 2.8Å; H281-W303 AromaticContact CD2-CZ2 3.79Å; H281-W303 AromaticContact CE1-CE2 3.58Å; H281-W303 AromaticContact CE1-CZ2 3.4Å; H281-W303 VanDerWaalsContact CE1-CZ2 3.4Å; H281-W303 WeakPolarHBondContact CE1-CZ2 3.49Å; H281-W303 AromaticContact CE1-NE1 3.44Å; H281-W303 PolarHBondContact CE1-NE1 3.39Å; H281-W303 AromaticContact ND1-CZ2 3.88Å; H281-W303 AromaticContact NE2-CE2 3.6Å; H281-W303 AromaticContact NE2-CZ2 3.32Å; H281-W303 VanDerWaalsContact NE2-CZ2 3.32Å; H281-W303 WeakPolarHBondContact NE2-CZ2 3.22Å; H281-W303 AromaticContact NE2-NE1 3.82Å
282G97.5Very high96.7Very high0 Ų039.8 Ų39.80%023%0.226CC..EExtended strand (participates in β ladder)trans-87.5125.3171.700000112C142 V252C142-G282 WeakPolarHBondContact CB-O 3.42Å; C142-G282 PolarHBondContact SG-N 2.04Å; C142-G282 PolarHBondContact SG-O 3.04Å; C142-G282 VanDerWaalsContact SG-O 3.36Å; V252-G282 CarbonylContact O-C 3.45Å; V252-G282 WeakPolarHBondContact O-CA 3.42Å
283V98.6Very high96.7Very high3 Ų338.6 Ų38.62%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-137-178.1-178.7-64.90000110S146 V252 I254 H281 V299S146-V283 WeakPolarHBondContact CB-O 3.34Å; S146-V283 PolarHBondContact OG-O 3.07Å; V252-V283 HydrophobicContact CG2-CG2 3.51Å; V252-V283 PolarHBondContact N-O 3.32Å; V252-V283 PolarHBondContact O-N 3.07Å; V252-V283 VanDerWaalsContact O-O 3.12Å; I254-V283 HydrophobicContact CD1-CG1 4.15Å; I254-V283 HydrophobicContact CD1-CG2 3.96Å; I254-V283 HydrophobicContact CG1-CG1 4.49Å; I254-V283 HydrophobicContact CG1-CG2 4.04Å; I254-V283 HydrophobicContact CG2-CG2 4.08Å; H281-V283 WeakPolarHBondContact CD2-CG1 3.36Å; H281-V283 WeakPolarHBondContact NE2-CG1 3.18Å; V283-V299 HydrophobicContact CB-CG1 3.6Å; V283-V299 HydrophobicContact CG1-CG1 4.38Å; V283-V299 HydrophobicContact CG2-CG1 3.36Å
284L98.9Very high96.8Very high5 Ų536.3 Ų36.33%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-124116.5-176.8-175.578.1000110.9P249 I250 V286 V299 K300P249-L284 HydrophobicContact CB-CD1 3.89Å; P249-L284 HydrophobicContact CB-CD2 3.87Å; P249-L284 HydrophobicContact CB-CG 3.93Å; I250-L284 WeakPolarHBondContact O-CD1 3.31Å; L284-V286 HydrophobicContact CB-CG1 4.44Å; L284-V286 HydrophobicContact CD2-CG1 3.53Å; L284-V286 HydrophobicContact CG-CG1 3.79Å; L284-V286 PolarHBondContact O-N 2.7Å; L284-V299 CarbonylContact O-C 3.39Å; L284-V299 WeakPolarHBondContact O-CA 3.43Å; L284-K300 HydrophobicContact CB-CB 4.22Å; L284-K300 HydrophobicContact CD2-CD 4.25Å; L284-K300 PolarHBondContact N-O 2.87Å; L284-K300 PolarHBondContact O-N 2.93Å
285A98.9Very high96.9Very high0 Ų037.6 Ų37.60%022%0.224CC..EExtended strand (participates in β ladder)trans-75.2110.2170.200000109.1V244 P249 I250 V252V244-A285 HydrophobicContact CG2-CB 4.11Å; P249-A285 CarbonylContact C-O 3.55Å; P249-A285 VanDerWaalsContact CA-O 3.29Å; P249-A285 WeakPolarHBondContact CA-O 3.48Å; I250-A285 PolarHBondContact N-O 2.89Å; I250-A285 PolarHBondContact O-N 3.47Å; V252-A285 HydrophobicContact CG1-CB 4.04Å; V252-A285 HydrophobicContact CG2-CB 4.39Å
286V98.9Very high97.1Very high0 Ų037.9 Ų37.90%022%0.22CC..EExtended strand (participates in β ladder)trans-107.54.8-176.4-61.80000112.8W124 V130 P249 L284 L298 K300 Y312W124-V286 VanDerWaalsContact CB-O 3.28Å; W124-V286 WeakPolarHBondContact CB-O 3.38Å; W124-V286 PolarHBondContact N-O 3.47Å; V130-V286 HydrophobicContact CG1-CG1 4.13Å; V130-V286 HydrophobicContact CG2-CB 3.99Å; V130-V286 HydrophobicContact CG2-CG1 3.76Å; P249-V286 HydrophobicContact CB-CG1 4.22Å; P249-V286 HydrophobicContact CG-CG1 4.5Å; L284-V286 HydrophobicContact CB-CG1 4.44Å; L284-V286 HydrophobicContact CD2-CG1 3.53Å; L284-V286 HydrophobicContact CG-CG1 3.79Å; L284-V286 PolarHBondContact O-N 2.7Å; V286-L298 HydrophobicContact CG2-CB 4.28Å; V286-L298 HydrophobicContact CG2-CD2 3.85Å; V286-L298 HydrophobicContact CG2-CG 3.7Å; V286-L298 WeakPolarHBondContact CG2-O 3.35Å; V286-L298 PolarHBondContact N-O 3.34Å; V286-K300 HydrophobicContact CG1-CB 3.96Å; V286-Y312 HydrophobicContact CG2-CD1 4.23Å; V286-Y312 HydrophobicContact CG2-CE1 3.96Å
287G98.8Very high97.2Very high0 Ų035.3 Ų35.30%020%0.203CC..EExtended strand (participates in β ladder)trans167.3-175.8-176.900000113V122 L298V122-G287 CarbonylContact O-C 3.52Å; V122-G287 WeakPolarHBondContact O-CA 3.3Å; G287-L298 PolarHBondContact N-O 2.88Å; G287-L298 PolarHBondContact O-N 3.16Å
288Y98.8Very high97.4Very high1 Ų132.8 Ų32.80%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-159.6163.117557.6-99.8000110P119 S121 V122 K241 V244 A245 Y296 W297P119-Y288 VanDerWaalsContact O-CE2 3.28Å; P119-Y288 WeakPolarHBondContact O-CE2 3.06Å; P119-Y288 PolarHBondContact O-OH 3.05Å; P119-Y288 VanDerWaalsContact O-OH 3.06Å; S121-Y288 CarbonylContact C-O 3.57Å; S121-Y288 VanDerWaalsContact CA-O 3.23Å; S121-Y288 WeakPolarHBondContact CA-O 3.42Å; V122-Y288 HydrophobicContact CB-CD1 4.24Å; V122-Y288 HydrophobicContact CB-CE1 3.91Å; V122-Y288 HydrophobicContact CG2-CE1 3.75Å; V122-Y288 HydrophobicContact CG2-CE2 4.2Å; V122-Y288 WeakPolarHBondContact CG2-OH 3.09Å; V122-Y288 PolarHBondContact N-O 2.78Å; V122-Y288 PolarHBondContact O-N 2.78Å; V122-Y288 VanDerWaalsContact O-O 3.14Å; K241-Y288 HydrophobicContact CD-CE2 4.37Å; K241-Y288 HydrophobicContact CG-CD1 4.05Å; K241-Y288 HydrophobicContact CG-CD2 4.4Å; K241-Y288 HydrophobicContact CG-CE1 3.65Å; K241-Y288 HydrophobicContact CG-CE2 4.05Å; K241-Y288 HydrophobicContact CG-CG 4.4Å; K241-Y288 WeakPolarHBondContact O-CE1 3.5Å; V244-Y288 HydrophobicContact CB-CD1 4.13Å; V244-Y288 HydrophobicContact CB-CE1 4.19Å; V244-Y288 HydrophobicContact CG1-CD1 3.74Å; V244-Y288 HydrophobicContact CG1-CE1 3.98Å; A245-Y288 HydrophobicContact CB-CE1 4.12Å; A245-Y288 VanDerWaalsContact CB-OH 3.31Å; A245-Y288 WeakPolarHBondContact CB-OH 2.94Å; Y288-Y296 CarbonylContact C-O 3.52Å; Y288-Y296 WeakPolarHBondContact CA-O 3.44Å; Y288-Y296 VanDerWaalsContact CB-O 3.23Å; Y288-Y296 WeakPolarHBondContact CB-O 3.18Å; Y288-W297 HydrophobicContact CD1-CE3 4.49Å; Y288-W297 AromaticContact CD1-CZ3 3.95Å; Y288-W297 HydrophobicContact CD1-CZ3 3.95Å; Y288-W297 HydrophobicContact CG-CZ3 4.32Å
289G98.4Very high97.7Very high0 Ų026.1 Ų26.10%016%0.156CC..EExtended strand (participates in β ladder)trans-173.4-158.9174.200000111.6D295 Y296 R317G289-D295 WeakPolarHBondContact O-CA 3.32Å; G289-Y296 VanDerWaalsContact C-CE1 3.44Å; G289-Y296 PolarHBondContact N-O 3.15Å; G289-Y296 PolarHBondContact O-N 3.23Å; G289-R317 PolarHBondContact O-NH2 3.21Å
290T98.2Very high97.9Very high77 Ų7726.4 Ų26.447%0.47216%0.156SC..EExtended strand (participates in β ladder)trans-133.6132.4175.7-510000108.1L294 D295T290-L294 CarbonylContact C-O 3.54Å; T290-L294 VanDerWaalsContact CA-O 3.32Å; T290-L294 WeakPolarHBondContact CA-O 3.48Å; T290-D295 PolarHBondContact OG1-OD1 3.23Å
291D96.3Very high98.1Very high45 Ų4525.9 Ų25.924%0.24115%0.154CC..EExtended strand (participates in β ladder)trans-128118.7178.6-167.91.4000108.8V268 G293 L294 Y296 K314V268-D291 HydrophobicContact CG2-CB 4.05Å; D291-G293 PolarHBondContact O-N 3.27Å; D291-G293 VanDerWaalsContact O-N 3.17Å; D291-L294 PolarHBondContact N-O 3.29Å; D291-L294 WeakPolarHBondContact O-CB 3.37Å; D291-L294 PolarHBondContact O-N 3.03Å; D291-Y296 HydrophobicContact CB-CD1 3.89Å; D291-Y296 HydrophobicContact CB-CE1 3.78Å; D291-K314 IonicContact OD2-NZ 3.59Å; D291-K314 PolarHBondContact OD2-NZ 2.91Å
292N93.3Very high98.1Very high156 Ų15626 Ų2683%0.83416%0.155SC*.THydrogen-bonded Turntrans49.639.7-175.2-59-48.6000114.2L294N292-L294 VanDerWaalsContact C-N 3.27Å; N292-L294 PolarHBondContact O-N 2.93Å
293G96Very high98Very high68 Ų6826.1 Ų26.170%0.70116%0.155SC*.THydrogen-bonded Turntrans802.1-178.700000114.9D291D291-G293 PolarHBondContact O-N 3.27Å; D291-G293 VanDerWaalsContact O-N 3.17Å
294L97.9Very high97.9Very high77 Ų7726.4 Ų26.440%0.40316%0.158SC..EExtended strand (participates in β ladder)trans-101.1118.1176.1-57.5174.8000110.3V268 T290 D291 N292V268-L294 HydrophobicContact CB-CB 4.32Å; V268-L294 HydrophobicContact CB-CD1 4.24Å; V268-L294 HydrophobicContact CG1-CB 4.28Å; V268-L294 HydrophobicContact CG2-CB 4.12Å; T290-L294 CarbonylContact C-O 3.54Å; T290-L294 VanDerWaalsContact CA-O 3.32Å; T290-L294 WeakPolarHBondContact CA-O 3.48Å; D291-L294 PolarHBondContact N-O 3.29Å; D291-L294 WeakPolarHBondContact O-CB 3.37Å; D291-L294 PolarHBondContact O-N 3.03Å; N292-L294 VanDerWaalsContact C-N 3.27Å; N292-L294 PolarHBondContact O-N 2.93Å
295D98.4Very high97.8Very high47 Ų4731.8 Ų31.825%0.25119%0.187SC..EExtended strand (participates in β ladder)trans-68136173.8-85.71.3000110.6G289 T290 R317 N318G289-D295 WeakPolarHBondContact O-CA 3.32Å; T290-D295 PolarHBondContact OG1-OD1 3.23Å; D295-R317 HydrophobicContact CB-CB 4.14Å; D295-R317 WeakPolarHBondContact CB-O 3.34Å; D295-R317 PolarHBondContact O-N 2.95Å; D295-R317 IonicContact OD1-NH2 3.18Å; D295-R317 PolarHBondContact OD1-NH2 2.62Å; D295-R317 IonicContact OD2-CZ 2.66Å; D295-R317 IonicContact OD2-NH1 2.74Å; D295-R317 PolarHBondContact OD2-NH1 3Å; D295-R317 IonicContact OD2-NH2 3.42Å; D295-R317 PolarHBondContact OD2-NH2 3.36Å; D295-N318 PolarHBondContact OD2-ND2 3.07Å
296Y98.9Very high97.7Very high36 Ų3635 Ų3514%0.14121%0.209CC..EExtended strand (participates in β ladder)trans-137.6154.6179.370.3-95.2000113.6V268 Y288 G289 D291 L298 K314 M315 R317V268-Y296 HydrophobicContact CG2-CD1 4.32Å; Y288-Y296 CarbonylContact C-O 3.52Å; Y288-Y296 WeakPolarHBondContact CA-O 3.44Å; Y288-Y296 VanDerWaalsContact CB-O 3.23Å; Y288-Y296 WeakPolarHBondContact CB-O 3.18Å; G289-Y296 VanDerWaalsContact C-CE1 3.44Å; G289-Y296 PolarHBondContact N-O 3.15Å; G289-Y296 PolarHBondContact O-N 3.23Å; D291-Y296 HydrophobicContact CB-CD1 3.89Å; D291-Y296 HydrophobicContact CB-CE1 3.78Å; Y296-L298 HydrophobicContact CD2-CB 4.46Å; Y296-L298 HydrophobicContact CE2-CB 4.12Å; Y296-K314 HydrophobicContact CD1-CD 4.02Å; Y296-K314 HydrophobicContact CD2-CB 3.92Å; Y296-K314 HydrophobicContact CD2-CD 3.94Å; Y296-K314 HydrophobicContact CD2-CG 3.72Å; Y296-K314 HydrophobicContact CE1-CD 4.05Å; Y296-K314 HydrophobicContact CE2-CD 4Å; Y296-K314 HydrophobicContact CE2-CG 3.99Å; Y296-K314 HydrophobicContact CG-CB 3.98Å; Y296-K314 HydrophobicContact CG-CD 3.98Å; Y296-K314 HydrophobicContact CG-CG 4.1Å; Y296-M315 CarbonylContact C-O 3.58Å; Y296-M315 WeakPolarHBondContact CA-O 3.16Å; Y296-M315 WeakPolarHBondContact CB-O 3.31Å; Y296-R317 PolarHBondContact O-NE 3.01Å; Y296-R317 VanDerWaalsContact O-NE 3.14Å
297W98.9Very high97.6Very high0 Ų035 Ų350%021%0.209CC..EExtended strand (participates in β ladder)trans-90133158-63.4109.3000109.4E237 L240 K241 V244 Y288 V299 K314 M315 R317 I325E237-W297 HydrophobicContact CB-CZ2 4.16Å; E237-W297 PolarHBondContact OE2-NE1 2.87Å; E237-W297 VanDerWaalsContact OE2-NE1 3.15Å; L240-W297 HydrophobicContact CB-CH2 3.95Å; L240-W297 HydrophobicContact CB-CZ2 4.21Å; L240-W297 HydrophobicContact CD2-CD2 4.35Å; L240-W297 HydrophobicContact CD2-CE3 4.47Å; L240-W297 HydrophobicContact CD2-CH2 3.94Å; L240-W297 HydrophobicContact CD2-CZ2 3.76Å; L240-W297 HydrophobicContact CD2-CZ3 4.29Å; L240-W297 HydrophobicContact CG-CH2 3.65Å; L240-W297 HydrophobicContact CG-CZ2 3.98Å; L240-W297 HydrophobicContact CG-CZ3 3.98Å; K241-W297 HydrophobicContact CB-CH2 3.74Å; K241-W297 HydrophobicContact CB-CZ3 4.36Å; K241-W297 HydrophobicContact CG-CH2 4.47Å; V244-W297 HydrophobicContact CG2-CZ3 4.19Å; Y288-W297 HydrophobicContact CD1-CE3 4.49Å; Y288-W297 AromaticContact CD1-CZ3 3.95Å; Y288-W297 HydrophobicContact CD1-CZ3 3.95Å; Y288-W297 HydrophobicContact CG-CZ3 4.32Å; W297-V299 HydrophobicContact CB-CG2 3.92Å; W297-K314 CarbonylContact O-C 3.56Å; W297-K314 VanDerWaalsContact O-CA 3.28Å; W297-K314 WeakPolarHBondContact O-CA 3.41Å; W297-M315 HydrophobicContact CB-CB 4.45Å; W297-M315 PolarHBondContact N-O 3.03Å; W297-M315 PolarHBondContact O-N 3.16Å; W297-R317 HydrophobicContact CD2-CB 4.25Å; W297-R317 HydrophobicContact CD2-CG 4.07Å; W297-R317 VanDerWaalsContact CE2-CD 3.4Å; W297-R317 VanDerWaalsContact CE2-CG 3.43Å; W297-R317 HydrophobicContact CG-CB 4.07Å; W297-R317 HydrophobicContact CG-CG 4.41Å; W297-R317 HydrophobicContact CH2-CG 4.34Å; W297-R317 VanDerWaalsContact CZ2-CD 3.4Å; W297-R317 HydrophobicContact CZ2-CG 3.61Å; W297-I325 HydrophobicContact CB-CD1 3.67Å; W297-I325 HydrophobicContact CD2-CD1 4.48Å; W297-I325 HydrophobicContact CG-CD1 3.62Å; W297-I325 HydrophobicContact CG-CG1 4.49Å
298L98.9Very high97.6Very high7 Ų735.7 Ų35.74%0.03722%0.217CC..EExtended strand (participates in β ladder)trans-90.5115.5169.4-178.864.6000108.3D123 V286 G287 Y296 Y312D123-L298 HydrophobicContact CB-CD2 4.38Å; D123-L298 VanDerWaalsContact OD2-CD2 3.32Å; D123-L298 WeakPolarHBondContact OD2-CD2 3.48Å; V286-L298 HydrophobicContact CG2-CB 4.28Å; V286-L298 HydrophobicContact CG2-CD2 3.85Å; V286-L298 HydrophobicContact CG2-CG 3.7Å; V286-L298 WeakPolarHBondContact CG2-O 3.35Å; V286-L298 PolarHBondContact N-O 3.34Å; G287-L298 PolarHBondContact N-O 2.88Å; G287-L298 PolarHBondContact O-N 3.16Å; Y296-L298 HydrophobicContact CD2-CB 4.46Å; Y296-L298 HydrophobicContact CE2-CB 4.12Å; L298-Y312 HydrophobicContact CD1-CD1 4.4Å
299V98.9Very high97.6Very high0 Ų039 Ų390%024%0.237CC..EExtended strand (participates in β ladder)trans-121.5126.7-170.5178.10000110V283 L284 W297 Y312 I313 M315 I325V283-V299 HydrophobicContact CB-CG1 3.6Å; V283-V299 HydrophobicContact CG1-CG1 4.38Å; V283-V299 HydrophobicContact CG2-CG1 3.36Å; L284-V299 CarbonylContact O-C 3.39Å; L284-V299 WeakPolarHBondContact O-CA 3.43Å; W297-V299 HydrophobicContact CB-CG2 3.92Å; V299-Y312 VanDerWaalsContact O-CA 3.27Å; V299-Y312 WeakPolarHBondContact O-CA 3.25Å; V299-Y312 WeakPolarHBondContact O-CD1 3.44Å; V299-I313 HydrophobicContact CB-CG2 3.82Å; V299-I313 HydrophobicContact CG1-CG2 4.11Å; V299-I313 PolarHBondContact N-O 3.35Å; V299-I313 PolarHBondContact O-N 3.2Å; V299-M315 HydrophobicContact CG2-CG 4.19Å; V299-M315 HydrophobicContact CG2-SD 4.09Å; V299-I325 HydrophobicContact CG2-CD1 3.69Å
300K98.9Very high97.5Very high17 Ų1742.6 Ų42.67%0.07426%0.262CS..EExtended strand (participates in β ladder)trans-83.7125.5171.3-174-179.9177-179.60108.8V130 T131 D132 V133 L284 V286 Y312V130-K300 HydrophobicContact CG1-CD 3.65Å; T131-K300 PolarHBondContact O-NZ 3.37Å; T131-K300 PolarHBondContact OG1-NZ 3.35Å; D132-K300 WeakPolarHBondContact O-CE 3.18Å; D132-K300 PolarHBondContact O-NZ 2.8Å; V133-K300 HydrophobicContact CG2-CG 4.22Å; L284-K300 HydrophobicContact CB-CB 4.22Å; L284-K300 HydrophobicContact CD2-CD 4.25Å; L284-K300 PolarHBondContact N-O 2.87Å; L284-K300 PolarHBondContact O-N 2.93Å; V286-K300 HydrophobicContact CG1-CB 3.96Å; K300-Y312 HydrophobicContact CB-CD1 3.88Å; K300-Y312 HydrophobicContact CB-CE1 3.47Å; K300-Y312 VanDerWaalsContact CB-CE1 3.47Å; K300-Y312 HydrophobicContact CD-CE1 4.29Å; K300-Y312 HydrophobicContact CG-CD1 4.34Å; K300-Y312 HydrophobicContact CG-CE1 3.69Å
301N98.4Very high97.5Very high4 Ų439 Ų392%0.02124%0.239CC..  trans-99.1173.4172.8-157.4-3.1000110.6H281 W303 W307 G311H281-N301 PolarHBondContact NE2-OD1 2.8Å; N301-W303 VanDerWaalsContact ND2-CD2 3.26Å; N301-W303 WeakPolarHBondContact ND2-CZ3 3.49Å; N301-W307 HydrophobicContact CB-CE3 3.91Å; N301-W307 HydrophobicContact CB-CH2 4.41Å; N301-W307 HydrophobicContact CB-CZ3 3.6Å; N301-W307 WeakPolarHBondContact ND2-CH2 3.35Å; N301-W307 WeakPolarHBondContact ND2-CZ3 3.43Å; N301-G311 WeakPolarHBondContact CB-O 3.25Å; N301-G311 PolarHBondContact N-O 3.22Å
302S97.2Very high97.7Very high4 Ų437.9 Ų37.93%0.02823%0.232CC..SBendtrans-12033.9-178.1480000112.4K134 D135 Q136K134-S302 CarbonylContact O-C 3.51Å; K134-S302 VanDerWaalsContact O-C 3.3Å; D135-S302 CarbonylContact C-O 3.58Å; D135-S302 VanDerWaalsContact CA-O 3.31Å; D135-S302 WeakPolarHBondContact CA-O 3.24Å; Q136-S302 WeakPolarHBondContact CG-O 3.31Å; Q136-S302 PolarHBondContact N-O 2.83Å; Q136-S302 PolarHBondContact OE1-OG 2.8Å
303W96.3Very high97.9Very high2 Ų230.5 Ų30.51%0.00819%0.193CC..BIsolated β-bridgetrans-113.826.3-178.4-60.4-19.9000112.9Y77 F78 Y86 I90 F261 H281 N301 W307Y77-W303 HydrophobicContact CE1-CB 4.17Å; F78-W303 AromaticContact CE2-CD2 3.84Å; F78-W303 HydrophobicContact CE2-CD2 3.84Å; F78-W303 AromaticContact CE2-CE3 3.42Å; F78-W303 HydrophobicContact CE2-CE3 3.42Å; F78-W303 VanDerWaalsContact CE2-CE3 3.42Å; F78-W303 HydrophobicContact CE2-CG 4.34Å; F78-W303 AromaticContact CE2-CZ3 3.87Å; F78-W303 HydrophobicContact CE2-CZ3 3.87Å; F78-W303 AromaticContact CZ-CD2 3.78Å; F78-W303 HydrophobicContact CZ-CD2 3.78Å; F78-W303 AromaticContact CZ-CE3 3.84Å; F78-W303 HydrophobicContact CZ-CE3 3.84Å; F78-W303 HydrophobicContact CZ-CG 4.12Å; F78-W303 HydrophobicContact CZ-CZ3 4.32Å; Y86-W303 AromaticContact CE2-CH2 3.98Å; Y86-W303 HydrophobicContact CE2-CH2 3.98Å; Y86-W303 HydrophobicContact CE2-CZ3 4.3Å; Y86-W303 WeakPolarHBondContact OH-CH2 3.44Å; I90-W303 HydrophobicContact CD1-CH2 4.05Å; I90-W303 HydrophobicContact CD1-CZ2 3.3Å; I90-W303 HydrophobicContact CG1-CH2 4.32Å; I90-W303 HydrophobicContact CG1-CZ2 3.98Å; F261-W303 AromaticContact CD1-CH2 3.6Å; F261-W303 HydrophobicContact CD1-CH2 3.6Å; F261-W303 AromaticContact CD1-CZ3 3.64Å; F261-W303 HydrophobicContact CD1-CZ3 3.64Å; F261-W303 HydrophobicContact CE1-CE3 4.47Å; F261-W303 AromaticContact CE1-CH2 3.35Å; F261-W303 HydrophobicContact CE1-CH2 3.35Å; F261-W303 HydrophobicContact CE1-CZ2 4.38Å; F261-W303 AromaticContact CE1-CZ3 3.42Å; F261-W303 HydrophobicContact CE1-CZ3 3.42Å; F261-W303 VanDerWaalsContact CE1-CZ3 3.42Å; H281-W303 AromaticContact CD2-CZ2 3.79Å; H281-W303 AromaticContact CE1-CE2 3.58Å; H281-W303 AromaticContact CE1-CZ2 3.4Å; H281-W303 VanDerWaalsContact CE1-CZ2 3.4Å; H281-W303 WeakPolarHBondContact CE1-CZ2 3.49Å; H281-W303 AromaticContact CE1-NE1 3.44Å; H281-W303 PolarHBondContact CE1-NE1 3.39Å; H281-W303 AromaticContact ND1-CZ2 3.88Å; H281-W303 AromaticContact NE2-CE2 3.6Å; H281-W303 AromaticContact NE2-CZ2 3.32Å; H281-W303 VanDerWaalsContact NE2-CZ2 3.32Å; H281-W303 WeakPolarHBondContact NE2-CZ2 3.22Å; H281-W303 AromaticContact NE2-NE1 3.82Å; N301-W303 VanDerWaalsContact ND2-CD2 3.26Å; N301-W303 WeakPolarHBondContact ND2-CZ3 3.49Å; W303-W307 HydrophobicContact CB-CB 4.14Å; W303-W307 HydrophobicContact CB-CG 4.33Å; W303-W307 AromaticContact CE3-CD1 3.72Å; W303-W307 AromaticContact CE3-CD2 3.68Å; W303-W307 HydrophobicContact CE3-CD2 3.68Å; W303-W307 AromaticContact CE3-CE2 3.45Å; W303-W307 VanDerWaalsContact CE3-CE2 3.45Å; W303-W307 HydrophobicContact CE3-CE3 4.37Å; W303-W307 AromaticContact CE3-CG 3.85Å; W303-W307 HydrophobicContact CE3-CG 3.85Å; W303-W307 AromaticContact CE3-CZ2 3.94Å; W303-W307 HydrophobicContact CE3-CZ2 3.94Å; W303-W307 AromaticContact CE3-NE1 3.48Å; W303-W307 HydrophobicContact CZ3-CD2 4.26Å; W303-W307 AromaticContact CZ3-CE2 3.56Å; W303-W307 HydrophobicContact CZ3-CH2 4.47Å; W303-W307 AromaticContact CZ3-CZ2 3.68Å; W303-W307 HydrophobicContact CZ3-CZ2 3.68Å; W303-W307 AromaticContact CZ3-NE1 3.58Å
304G96.8Very high98.1Very high8 Ų829.8 Ų29.88%0.08217%0.17CC..  trans71.5173.3-17900000114.4K134 S306 G311K134-G304 WeakPolarHBondContact O-CA 3.11Å; K134-G304 PolarHBondContact O-N 3.33Å; G304-S306 PolarHBondContact O-N 2.8Å; G304-G311 WeakPolarHBondContact O-CA 3.33Å
305L97.3Very high98.1Very high119 Ų11926.2 Ų26.262%0.62315%0.151SC*.THydrogen-bonded Turntrans-69.9-15.5-173.1-63.7172.7000114.3V133 S310V133-L305 HydrophobicContact CB-CD2 3.77Å; V133-L305 HydrophobicContact CG1-CD2 4.47Å; V133-L305 HydrophobicContact CG2-CD2 4.19Å; L305-S310 WeakPolarHBondContact O-CA 3.42Å
306S95.3Very high98.1Very high66 Ų6624.3 Ų24.346%0.46214%0.142SC..THydrogen-bonded Turntrans-85-11.4-174.476.60000114G304G304-S306 PolarHBondContact O-N 2.8Å
307W97.8Very high98.1Very high0 Ų023.1 Ų23.10%014%0.137CC..SBendtrans-97.6141176.8-178.391.6000110.8F78 F261 Q262 Y264 N301 W303 G311 I313F78-W307 AromaticContact CD2-CD1 3.96Å; F78-W307 AromaticContact CE2-CD1 3.79Å; F261-W307 HydrophobicContact CD1-CH2 4.37Å; F261-W307 AromaticContact CD1-CZ2 3.78Å; F261-W307 HydrophobicContact CD1-CZ2 3.78Å; F261-W307 AromaticContact CE1-CH2 3.69Å; F261-W307 HydrophobicContact CE1-CH2 3.69Å; F261-W307 AromaticContact CE1-CZ2 3.48Å; F261-W307 HydrophobicContact CE1-CZ2 3.48Å; F261-W307 VanDerWaalsContact CE1-CZ2 3.48Å; F261-W307 HydrophobicContact CE2-CH2 4.5Å; F261-W307 AromaticContact CZ-CH2 3.76Å; F261-W307 HydrophobicContact CZ-CH2 3.76Å; F261-W307 HydrophobicContact CZ-CZ2 4.01Å; F261-W307 WeakPolarHBondContact O-CZ2 3.24Å; F261-W307 PolarHBondContact O-NE1 3.22Å; Q262-W307 PolarHBondContact O-NE1 2.74Å; Y264-W307 AromaticContact CD1-CH2 3.99Å; Y264-W307 HydrophobicContact CD1-CH2 3.99Å; Y264-W307 HydrophobicContact CD1-CZ2 4.15Å; Y264-W307 HydrophobicContact CD1-CZ3 4.36Å; Y264-W307 HydrophobicContact CG-CZ2 4.47Å; N301-W307 HydrophobicContact CB-CE3 3.91Å; N301-W307 HydrophobicContact CB-CH2 4.41Å; N301-W307 HydrophobicContact CB-CZ3 3.6Å; N301-W307 WeakPolarHBondContact ND2-CH2 3.35Å; N301-W307 WeakPolarHBondContact ND2-CZ3 3.43Å; W303-W307 HydrophobicContact CB-CB 4.14Å; W303-W307 HydrophobicContact CB-CG 4.33Å; W303-W307 AromaticContact CE3-CD1 3.72Å; W303-W307 AromaticContact CE3-CD2 3.68Å; W303-W307 HydrophobicContact CE3-CD2 3.68Å; W303-W307 AromaticContact CE3-CE2 3.45Å; W303-W307 VanDerWaalsContact CE3-CE2 3.45Å; W303-W307 HydrophobicContact CE3-CE3 4.37Å; W303-W307 AromaticContact CE3-CG 3.85Å; W303-W307 HydrophobicContact CE3-CG 3.85Å; W303-W307 AromaticContact CE3-CZ2 3.94Å; W303-W307 HydrophobicContact CE3-CZ2 3.94Å; W303-W307 AromaticContact CE3-NE1 3.48Å; W303-W307 HydrophobicContact CZ3-CD2 4.26Å; W303-W307 AromaticContact CZ3-CE2 3.56Å; W303-W307 HydrophobicContact CZ3-CH2 4.47Å; W303-W307 AromaticContact CZ3-CZ2 3.68Å; W303-W307 HydrophobicContact CZ3-CZ2 3.68Å; W303-W307 AromaticContact CZ3-NE1 3.58Å; W307-G311 WeakPolarHBondContact O-CA 3.43Å; W307-G311 PolarHBondContact O-N 2.78Å; W307-I313 HydrophobicContact CH2-CB 3.8Å; W307-I313 HydrophobicContact CH2-CD1 3.94Å; W307-I313 HydrophobicContact CH2-CG1 4.46Å; W307-I313 HydrophobicContact CH2-CG2 3.92Å; W307-I313 HydrophobicContact CZ3-CB 3.94Å; W307-I313 HydrophobicContact CZ3-CG2 4.07Å
308G98.3Very high98Very high16 Ų1626.9 Ų26.917%0.16516%0.157CC..THydrogen-bonded Turntrans55.8-146.7-178.100000113.4Y264 E265 S310Y264-G308 PolarHBondContact O-N 3.45Å; E265-G308 CarbonylContact O-C 3.54Å; G308-S310 PolarHBondContact O-N 2.91Å
309V98.3Very high97.9Very high71 Ų7130.9 Ų30.943%0.4317%0.174SC..BIsolated β-bridgetrans-9188178.2-172.80000108.7E265 G311 Y312E265-V309 WeakPolarHBondContact O-CG2 3.42Å; E265-V309 PolarHBondContact O-N 3.34Å; V309-G311 VanDerWaalsContact C-N 3.27Å; V309-G311 PolarHBondContact O-N 3.08Å; V309-Y312 PolarHBondContact N-O 3.05Å; V309-Y312 WeakPolarHBondContact O-CB 3.26Å; V309-Y312 PolarHBondContact O-N 3.49Å
310S97.8Very high97.8Very high75 Ų7538.4 Ų38.452%0.52422%0.215SC..THydrogen-bonded Turntrans5639.7-178.4-55.70000113.2L305 G308 Y312L305-S310 WeakPolarHBondContact O-CA 3.42Å; G308-S310 PolarHBondContact O-N 2.91Å; S310-Y312 VanDerWaalsContact O-CD2 3.31Å; S310-Y312 WeakPolarHBondContact O-CD2 3.08Å
311G98.4Very high97.8Very high0 Ų038.3 Ų38.30%022%0.215CC..THydrogen-bonded Turntrans86.54.4-177.700000115.3N301 G304 W307 V309N301-G311 WeakPolarHBondContact CB-O 3.25Å; N301-G311 PolarHBondContact N-O 3.22Å; G304-G311 WeakPolarHBondContact O-CA 3.33Å; W307-G311 WeakPolarHBondContact O-CA 3.43Å; W307-G311 PolarHBondContact O-N 2.78Å; V309-G311 VanDerWaalsContact C-N 3.27Å; V309-G311 PolarHBondContact O-N 3.08Å
312Y98.9Very high97.8Very high23 Ų2338.9 Ų38.99%0.0922%0.218CC..EExtended strand (participates in β ladder)trans-113.5157.9178.4-63.5-97.1000111.8R125 V133 V286 L298 V299 K300 V309 S310R125-Y312 HydrophobicContact CG-CE1 4.26Å; V133-Y312 HydrophobicContact CG2-CD2 4.09Å; V133-Y312 HydrophobicContact CG2-CE2 3.39Å; V286-Y312 HydrophobicContact CG2-CD1 4.23Å; V286-Y312 HydrophobicContact CG2-CE1 3.96Å; L298-Y312 HydrophobicContact CD1-CD1 4.4Å; V299-Y312 VanDerWaalsContact O-CA 3.27Å; V299-Y312 WeakPolarHBondContact O-CA 3.25Å; V299-Y312 WeakPolarHBondContact O-CD1 3.44Å; K300-Y312 HydrophobicContact CB-CD1 3.88Å; K300-Y312 HydrophobicContact CB-CE1 3.47Å; K300-Y312 VanDerWaalsContact CB-CE1 3.47Å; K300-Y312 HydrophobicContact CD-CE1 4.29Å; K300-Y312 HydrophobicContact CG-CD1 4.34Å; K300-Y312 HydrophobicContact CG-CE1 3.69Å; V309-Y312 PolarHBondContact N-O 3.05Å; V309-Y312 WeakPolarHBondContact O-CB 3.26Å; V309-Y312 PolarHBondContact O-N 3.49Å; S310-Y312 VanDerWaalsContact O-CD2 3.31Å; S310-Y312 WeakPolarHBondContact O-CD2 3.08Å
313I98.8Very high97.8Very high1 Ų138.8 Ų38.81%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-131.8141.8172.1177.9165.1000109.6F261 Y264 Y269 V299 W307 M315F261-I313 HydrophobicContact CD2-CD1 4.03Å; F261-I313 HydrophobicContact CE2-CD1 3.63Å; F261-I313 HydrophobicContact CZ-CD1 4.2Å; Y264-I313 HydrophobicContact CD1-CB 3.99Å; Y264-I313 HydrophobicContact CD1-CD1 3.79Å; Y264-I313 HydrophobicContact CD1-CG1 3.85Å; Y264-I313 HydrophobicContact CD2-CD1 3.86Å; Y264-I313 HydrophobicContact CD2-CG1 4.16Å; Y264-I313 HydrophobicContact CE1-CB 3.63Å; Y264-I313 HydrophobicContact CE1-CD1 4.05Å; Y264-I313 HydrophobicContact CE1-CG1 3.56Å; Y264-I313 HydrophobicContact CE2-CD1 4.09Å; Y264-I313 HydrophobicContact CE2-CG1 3.87Å; Y264-I313 HydrophobicContact CG-CD1 3.7Å; Y264-I313 HydrophobicContact CG-CG1 4.14Å; Y269-I313 HydrophobicContact CD1-CD1 4.26Å; Y269-I313 HydrophobicContact CD2-CD1 4.26Å; Y269-I313 HydrophobicContact CG-CD1 3.83Å; V299-I313 HydrophobicContact CB-CG2 3.82Å; V299-I313 HydrophobicContact CG1-CG2 4.11Å; V299-I313 PolarHBondContact N-O 3.35Å; V299-I313 PolarHBondContact O-N 3.2Å; W307-I313 HydrophobicContact CH2-CB 3.8Å; W307-I313 HydrophobicContact CH2-CD1 3.94Å; W307-I313 HydrophobicContact CH2-CG1 4.46Å; W307-I313 HydrophobicContact CH2-CG2 3.92Å; W307-I313 HydrophobicContact CZ3-CB 3.94Å; W307-I313 HydrophobicContact CZ3-CG2 4.07Å; I313-M315 HydrophobicContact CD1-CG 4.11Å; I313-M315 HydrophobicContact CG1-CG 3.93Å; I313-M315 HydrophobicContact CG2-CG 4.07Å; I313-M315 HydrophobicContact CG2-SD 4.47Å
314K98.9Very high97.9Very high52 Ų5238.7 Ų38.723%0.22622%0.216CC..EExtended strand (participates in β ladder)trans-92.2109.9163.6-63.5-176.2-173.6-175.30107.5Y264 V268 Y269 D291 Y296 W297Y264-K314 PolarHBondContact OH-N 2.91Å; V268-K314 CarbonylContact C-O 3.53Å; V268-K314 HydrophobicContact CG2-CB 4.34Å; V268-K314 HydrophobicContact CG2-CD 4.37Å; Y269-K314 WeakPolarHBondContact CB-O 3.23Å; Y269-K314 PolarHBondContact N-O 2.98Å; D291-K314 IonicContact OD2-NZ 3.59Å; D291-K314 PolarHBondContact OD2-NZ 2.91Å; Y296-K314 HydrophobicContact CD1-CD 4.02Å; Y296-K314 HydrophobicContact CD2-CB 3.92Å; Y296-K314 HydrophobicContact CD2-CD 3.94Å; Y296-K314 HydrophobicContact CD2-CG 3.72Å; Y296-K314 HydrophobicContact CE1-CD 4.05Å; Y296-K314 HydrophobicContact CE2-CD 4Å; Y296-K314 HydrophobicContact CE2-CG 3.99Å; Y296-K314 HydrophobicContact CG-CB 3.98Å; Y296-K314 HydrophobicContact CG-CD 3.98Å; Y296-K314 HydrophobicContact CG-CG 4.1Å; W297-K314 CarbonylContact O-C 3.56Å; W297-K314 VanDerWaalsContact O-CA 3.28Å; W297-K314 WeakPolarHBondContact O-CA 3.41Å
315M98.8Very high98Very high2 Ų238.3 Ų38.31%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-95.1142.4175.1-62-174.469.600109.4I254 F261 Y269 Y296 W297 V299 I313 R317 C323 I325I254-M315 HydrophobicContact CB-CE 4.19Å; I254-M315 HydrophobicContact CD1-CE 3.93Å; I254-M315 HydrophobicContact CD1-SD 3.81Å; I254-M315 HydrophobicContact CG2-CE 3.91Å; I254-M315 HydrophobicContact CG2-SD 4.03Å; F261-M315 HydrophobicContact CE2-CE 4.33Å; F261-M315 HydrophobicContact CE2-SD 4.37Å; Y269-M315 HydrophobicContact CD1-CE 4.4Å; Y296-M315 CarbonylContact C-O 3.58Å; Y296-M315 WeakPolarHBondContact CA-O 3.16Å; Y296-M315 WeakPolarHBondContact CB-O 3.31Å; W297-M315 HydrophobicContact CB-CB 4.45Å; W297-M315 PolarHBondContact N-O 3.03Å; W297-M315 PolarHBondContact O-N 3.16Å; V299-M315 HydrophobicContact CG2-CG 4.19Å; V299-M315 HydrophobicContact CG2-SD 4.09Å; I313-M315 HydrophobicContact CD1-CG 4.11Å; I313-M315 HydrophobicContact CG1-CG 3.93Å; I313-M315 HydrophobicContact CG2-CG 4.07Å; I313-M315 HydrophobicContact CG2-SD 4.47Å; M315-R317 PolarHBondContact O-N 2.61Å; M315-C323 HydrophobicContact CE-CB 3.67Å; M315-I325 HydrophobicContact CB-CD1 4.25Å; M315-I325 HydrophobicContact SD-CD1 3.96Å
316S98.6Very high98Very high7 Ų732.6 Ų32.65%0.04918%0.183CC..EExtended strand (participates in β ladder)trans-57141.7177.966.80000111.9Y269 Q322Y269-S316 WeakPolarHBondContact O-CB 3.44Å; Y269-S316 PolarHBondContact O-N 2.89Å; S316-Q322 WeakPolarHBondContact OG-CB 3.44Å; S316-Q322 PolarHBondContact OG-NE2 3.18Å; S316-Q322 PolarHBondContact OG-OE1 3.4Å
317R98.5Very high98.1Very high11 Ų1129.7 Ų29.74%0.04216%0.162CC..  trans-122.2154178.8175.6173.160.869.82.1109.5E237 G289 D295 Y296 W297 M315 K319E237-R317 WeakPolarHBondContact OE2-CA 3.4Å; G289-R317 PolarHBondContact O-NH2 3.21Å; D295-R317 HydrophobicContact CB-CB 4.14Å; D295-R317 WeakPolarHBondContact CB-O 3.34Å; D295-R317 PolarHBondContact O-N 2.95Å; D295-R317 IonicContact OD1-NH2 3.18Å; D295-R317 PolarHBondContact OD1-NH2 2.62Å; D295-R317 IonicContact OD2-CZ 2.66Å; D295-R317 IonicContact OD2-NH1 2.74Å; D295-R317 PolarHBondContact OD2-NH1 3Å; D295-R317 IonicContact OD2-NH2 3.42Å; D295-R317 PolarHBondContact OD2-NH2 3.36Å; Y296-R317 PolarHBondContact O-NE 3.01Å; Y296-R317 VanDerWaalsContact O-NE 3.14Å; W297-R317 HydrophobicContact CD2-CB 4.25Å; W297-R317 HydrophobicContact CD2-CG 4.07Å; W297-R317 VanDerWaalsContact CE2-CD 3.4Å; W297-R317 VanDerWaalsContact CE2-CG 3.43Å; W297-R317 HydrophobicContact CG-CB 4.07Å; W297-R317 HydrophobicContact CG-CG 4.41Å; W297-R317 HydrophobicContact CH2-CG 4.34Å; W297-R317 VanDerWaalsContact CZ2-CD 3.4Å; W297-R317 HydrophobicContact CZ2-CG 3.61Å; M315-R317 PolarHBondContact O-N 2.61Å; R317-K319 VanDerWaalsContact C-N 3.25Å; R317-K319 PolarHBondContact O-N 3.01Å
318N97.4Very high98.1Very high80 Ų8030 Ų3043%0.42817%0.165SC..SBendtrans59.239-177.1-61.9-17.4000111.7E237 D295E237-N318 WeakPolarHBondContact OE1-CA 3.42Å; E237-N318 PolarHBondContact OE1-N 3.37Å; E237-N318 PolarHBondContact OE2-N 2.95Å; D295-N318 PolarHBondContact OD2-ND2 3.07Å
319K96.8Very high98.1Very high90 Ų9029.3 Ų29.339%0.39116%0.157SC..SBendtrans-132.254.7-174.3-164.9164.5178.7177.40110.8E237 D270 R317 N321 Q322E237-K319 PolarHBondContact OE1-N 3.32Å; E237-K319 VanDerWaalsContact OE1-N 3.14Å; D270-K319 VanDerWaalsContact OD1-CE 3.31Å; D270-K319 WeakPolarHBondContact OD1-CE 3.34Å; D270-K319 IonicContact OD1-NZ 3.68Å; D270-K319 PolarHBondContact OD1-NZ 3Å; D270-K319 IonicContact OD2-NZ 3.63Å; D270-K319 PolarHBondContact OD2-NZ 3.48Å; R317-K319 VanDerWaalsContact C-N 3.25Å; R317-K319 PolarHBondContact O-N 3.01Å; K319-N321 VanDerWaalsContact C-N 3.33Å; K319-N321 PolarHBondContact O-N 2.93Å; K319-Q322 PolarHBondContact O-N 2.93Å
320N96.6Very high98.1Very high159 Ų15925.9 Ų25.985%0.8514%0.136SC*.SBendtrans55.844.9-179.9-55.4-47.2000112.6Q322N320-Q322 VanDerWaalsContact C-N 3.34Å; N320-Q322 PolarHBondContact O-N 2.7Å
321N98.3Very high98.1Very high14 Ų1423.2 Ų23.28%0.07512%0.115CC..SBendtrans5351.4179.6-177.533.4000111.9G235 E237 K319 C323 G324 I325 A326 T327G235-N321 WeakPolarHBondContact CA-ND2 3.34Å; E237-N321 HydrophobicContact CG-CB 4.41Å; E237-N321 WeakPolarHBondContact OE1-CA 3.38Å; E237-N321 PolarHBondContact OE1-N 3.34Å; K319-N321 VanDerWaalsContact C-N 3.33Å; K319-N321 PolarHBondContact O-N 2.93Å; N321-C323 PolarHBondContact O-N 2.73Å; N321-G324 WeakPolarHBondContact O-CA 3.37Å; N321-G324 PolarHBondContact O-N 3.46Å; N321-G324 WeakPolarHBondContact OD1-CA 3.44Å; N321-I325 PolarHBondContact OD1-N 2.94Å; N321-A326 WeakPolarHBondContact OD1-CB 3.4Å; N321-A326 PolarHBondContact OD1-N 3.33Å; N321-T327 PolarHBondContact ND2-OG1 2.97Å
322Q98Very high98.1Very high17 Ų1723.2 Ų23.28%0.07912%0.115CC..G310 helixtrans-56.9135.6-176.3-167.7-176.9117.400111.4D270 C274 S316 K319 N320 G324D270-Q322 PolarHBondContact OD1-NE2 2.61Å; C274-Q322 HydrophobicContact CB-CG 4.35Å; S316-Q322 WeakPolarHBondContact OG-CB 3.44Å; S316-Q322 PolarHBondContact OG-NE2 3.18Å; S316-Q322 PolarHBondContact OG-OE1 3.4Å; K319-Q322 PolarHBondContact O-N 2.93Å; N320-Q322 VanDerWaalsContact C-N 3.34Å; N320-Q322 PolarHBondContact O-N 2.7Å; Q322-G324 PolarHBondContact O-N 3.44Å
323C97.9Very high98.1Very high1 Ų125 Ų251%0.00713%0.126CC..G310 helixtrans55.914.9-174-46.60000113.7I254 D255 C274 S275 M315 N321 I325I254-C323 CarbonylContact C-O 3.18Å; I254-C323 WeakPolarHBondContact CA-O 3.49Å; D255-C323 HydrophobicContact CB-CB 4.34Å; D255-C323 PolarHBondContact N-O 2.9Å; C274-C323 HydrophobicContact CB-CB 3.72Å; C274-C323 WeakPolarHBondContact CB-SG 3.43Å; C274-C323 WeakPolarHBondContact SG-CB 3.24Å; C274-C323 CovalentContact SG-SG 2.04Å; C274-C323 PolarHBondContact SG-SG 3.39Å; S275-C323 CarbonylContact O-C 3.3Å; S275-C323 VanDerWaalsContact O-CA 3.26Å; S275-C323 WeakPolarHBondContact O-CA 3.38Å; M315-C323 HydrophobicContact CE-CB 3.67Å; N321-C323 PolarHBondContact O-N 2.73Å; C323-I325 VanDerWaalsContact C-N 3.32Å; C323-I325 PolarHBondContact O-N 2.98Å
324G98.1Very high97.8Very high0 Ų026.8 Ų26.80%014%0.137CC..G310 helixtrans70.421.9174.700000115.1G253 S275 N321 Q322 A326 T327G253-G324 VanDerWaalsContact O-O 3.09Å; S275-G324 PolarHBondContact O-N 3.44Å; N321-G324 WeakPolarHBondContact O-CA 3.37Å; N321-G324 PolarHBondContact O-N 3.46Å; N321-G324 WeakPolarHBondContact OD1-CA 3.44Å; Q322-G324 PolarHBondContact O-N 3.44Å; G324-A326 PolarHBondContact O-N 3.24Å; G324-A326 VanDerWaalsContact O-N 3.08Å; G324-T327 WeakPolarHBondContact CA-OG1 3.4Å; G324-T327 WeakPolarHBondContact O-CA 3.21Å; G324-T327 WeakPolarHBondContact O-CB 3.43Å; G324-T327 PolarHBondContact O-N 2.03Å; G324-T327 PolarHBondContact O-OG1 3.15Å
325I98.7Very high97.7Very high0 Ų025.6 Ų25.60%013%0.132CC..THydrogen-bonded Turntrans-54.6-29.6-175.5-169.1159.1000114.7L240 V252 I254 W297 V299 M315 N321 C323L240-I325 HydrophobicContact CD2-CG1 4.35Å; V252-I325 HydrophobicContact CB-CG1 4.32Å; V252-I325 WeakPolarHBondContact CB-O 3.33Å; V252-I325 WeakPolarHBondContact CG1-O 3.35Å; V252-I325 HydrophobicContact CG2-CG1 3.99Å; I254-I325 HydrophobicContact CG2-CB 3.98Å; I254-I325 HydrophobicContact CG2-CD1 4.43Å; I254-I325 HydrophobicContact CG2-CG1 4.05Å; W297-I325 HydrophobicContact CB-CD1 3.67Å; W297-I325 HydrophobicContact CD2-CD1 4.48Å; W297-I325 HydrophobicContact CG-CD1 3.62Å; W297-I325 HydrophobicContact CG-CG1 4.49Å; V299-I325 HydrophobicContact CG2-CD1 3.69Å; M315-I325 HydrophobicContact CB-CD1 4.25Å; M315-I325 HydrophobicContact SD-CD1 3.96Å; N321-I325 PolarHBondContact OD1-N 2.94Å; C323-I325 VanDerWaalsContact C-N 3.32Å; C323-I325 PolarHBondContact O-N 2.98Å
326A98.4Very high97.7Very high0 Ų026.8 Ų26.80%014%0.139CC..THydrogen-bonded Turntrans-96.7-1.4174.900000113.5G235 E237 L240 N321 G324G235-A326 PolarHBondContact N-O 2.58Å; E237-A326 HydrophobicContact CG-CB 4.12Å; L240-A326 HydrophobicContact CB-CB 4.29Å; L240-A326 HydrophobicContact CD2-CB 3.99Å; N321-A326 WeakPolarHBondContact OD1-CB 3.4Å; N321-A326 PolarHBondContact OD1-N 3.33Å; G324-A326 PolarHBondContact O-N 3.24Å; G324-A326 VanDerWaalsContact O-N 3.08Å
327T97.9Very high97.6Very high5 Ų527.9 Ų27.93%0.03114%0.144CC..THydrogen-bonded Turntrans-70-41.9-177.5-60.70000112.1F98 A100 Q234 S276 L279 N321 G324F98-T327 HydrophobicContact CE1-CG2 4.41Å; F98-T327 HydrophobicContact CZ-CG2 4.01Å; A100-T327 HydrophobicContact CB-CG2 4.28Å; Q234-T327 HydrophobicContact CG-CG2 4.07Å; Q234-T327 WeakPolarHBondContact CG-O 3.49Å; S276-T327 WeakPolarHBondContact O-CB 3.35Å; S276-T327 PolarHBondContact O-OG1 3.48Å; L279-T327 HydrophobicContact CD1-CG2 4.03Å; N321-T327 PolarHBondContact ND2-OG1 2.97Å; G324-T327 WeakPolarHBondContact CA-OG1 3.4Å; G324-T327 WeakPolarHBondContact O-CA 3.21Å; G324-T327 WeakPolarHBondContact O-CB 3.43Å; G324-T327 PolarHBondContact O-N 2.03Å; G324-T327 PolarHBondContact O-OG1 3.15Å
328A96.8Very high97.6Very high7 Ų728.9 Ų28.96%0.05815%0.15CC..THydrogen-bonded Turntrans-127.559.2-176.800000111.4F98 V252 G253 L279F98-A328 HydrophobicContact CD2-CB 4.28Å; F98-A328 HydrophobicContact CE2-CB 3.55Å; F98-A328 HydrophobicContact CZ-CB 3.85Å; V252-A328 WeakPolarHBondContact CA-O 3.4Å; G253-A328 PolarHBondContact N-O 3.27Å; L279-A328 HydrophobicContact CD1-CB 3.46Å; L279-A328 VanDerWaalsContact CD1-CB 3.46Å
329A98.4Very high97.6Very high0 Ų025.7 Ų25.70%013%0.132CC..  trans-99121.5-177.400000112.5R104 V232 L240 I250 S251 V252R104-A329 PolarHBondContact NH2-O 2.75Å; V232-A329 HydrophobicContact CB-CB 3.9Å; V232-A329 WeakPolarHBondContact CB-O 3.44Å; V232-A329 HydrophobicContact CG1-CB 4.48Å; V232-A329 HydrophobicContact CG2-CB 4.19Å; V232-A329 PolarHBondContact N-O 2.74Å; L240-A329 HydrophobicContact CD1-CB 3.86Å; I250-A329 HydrophobicContact CG2-CB 4.24Å; S251-A329 CarbonylContact O-C 3.2Å; S251-A329 VanDerWaalsContact O-CA 3.25Å; S251-A329 WeakPolarHBondContact O-CA 3.41Å; V252-A329 HydrophobicContact CG1-CB 3.88Å
330S98.4Very high97.6Very high0 Ų021.4 Ų21.40%012%0.115CC..EExtended strand (participates in β ladder)trans-144.6159.5178.662.90000113D188 V230 D231 I250 S251D188-S330 VanDerWaalsContact OD1-CB 3.23Å; D188-S330 WeakPolarHBondContact OD1-CB 3.2Å; D188-S330 PolarHBondContact OD1-OG 3.22Å; V230-S330 VanDerWaalsContact O-CA 3.24Å; V230-S330 WeakPolarHBondContact O-CA 3.43Å; V230-S330 VanDerWaalsContact O-CB 3.31Å; V230-S330 WeakPolarHBondContact O-CB 3.35Å; D231-S330 WeakPolarHBondContact OD1-CB 3.36Å; I250-S330 WeakPolarHBondContact CG2-O 3.44Å; S251-S330 VanDerWaalsContact CB-O 3.31Å; S251-S330 WeakPolarHBondContact CB-O 2.98Å; S251-S330 PolarHBondContact N-O 3.44Å; S251-S330 PolarHBondContact O-N 2.79Å
331Y98.6Very high97.7Very high19 Ų1911.6 Ų11.68%0.0756%0.062CC..EExtended strand (participates in β ladder)trans-141.8146.2176.563.7-93.3000111.7F109 Y229 V230 V232 A243 I247 I250 L333F109-Y331 AromaticContact CD2-CE1 3.94Å; F109-Y331 HydrophobicContact CD2-CE1 3.94Å; F109-Y331 HydrophobicContact CE2-CE1 4.31Å; Y229-Y331 CarbonylContact C-O 3.11Å; Y229-Y331 VanDerWaalsContact CA-O 3.23Å; Y229-Y331 WeakPolarHBondContact CA-O 3.46Å; Y229-Y331 WeakPolarHBondContact CB-O 3.33Å; V230-Y331 HydrophobicContact CB-CD1 4.17Å; V230-Y331 HydrophobicContact CB-CD2 4.24Å; V230-Y331 HydrophobicContact CB-CE1 3.64Å; V230-Y331 HydrophobicContact CB-CE2 3.7Å; V230-Y331 HydrophobicContact CB-CG 4.47Å; V230-Y331 HydrophobicContact CG1-CE1 3.7Å; V230-Y331 HydrophobicContact CG1-CE2 4.42Å; V230-Y331 WeakPolarHBondContact CG1-OH 3.02Å; V230-Y331 HydrophobicContact CG2-CD2 4.48Å; V230-Y331 HydrophobicContact CG2-CE1 4.45Å; V230-Y331 HydrophobicContact CG2-CE2 3.7Å; V230-Y331 PolarHBondContact N-O 3.44Å; V230-Y331 PolarHBondContact O-N 2.58Å; V232-Y331 HydrophobicContact CG2-CD1 4.32Å; V232-Y331 HydrophobicContact CG2-CE1 4.35Å; A243-Y331 HydrophobicContact CB-CE1 4.42Å; I247-Y331 HydrophobicContact CD1-CE2 4.48Å; I247-Y331 HydrophobicContact CG1-CE1 4.27Å; I247-Y331 HydrophobicContact CG1-CE2 4.31Å; I247-Y331 HydrophobicContact CG2-CD1 4.33Å; I247-Y331 HydrophobicContact CG2-CD2 3.53Å; I247-Y331 HydrophobicContact CG2-CE1 4.36Å; I247-Y331 HydrophobicContact CG2-CE2 3.59Å; I247-Y331 HydrophobicContact CG2-CG 3.91Å; I250-Y331 HydrophobicContact CD1-CD1 3.73Å; I250-Y331 HydrophobicContact CD1-CG 3.94Å; Y331-L333 HydrophobicContact CD2-CD2 4.4Å; Y331-L333 HydrophobicContact CE2-CD2 3.9Å
332P98.3Very high97.7Very high0 Ų011.4 Ų11.40%06%0.062CC..EExtended strand (participates in β ladder)trans-77.7160.8178.130.8-30.7000111.6S150 L151 Q154 F191 G228S150-P332 WeakPolarHBondContact OG-CD 3Å; L151-P332 HydrophobicContact CB-CG 3.87Å; L151-P332 HydrophobicContact CD1-CB 3.97Å; L151-P332 HydrophobicContact CD1-CG 3.85Å; L151-P332 HydrophobicContact CG-CG 4.47Å; Q154-P332 HydrophobicContact CB-CG 4.41Å; Q154-P332 HydrophobicContact CG-CG 4.01Å; Q154-P332 WeakPolarHBondContact CG-O 3.25Å; F191-P332 HydrophobicContact CD1-CB 3.68Å; F191-P332 HydrophobicContact CD1-CG 4.18Å; F191-P332 HydrophobicContact CE1-CB 3.67Å; F191-P332 HydrophobicContact CE1-CG 3.63Å; F191-P332 HydrophobicContact CG-CB 4.25Å; F191-P332 HydrophobicContact CZ-CB 4.24Å; F191-P332 HydrophobicContact CZ-CG 4.05Å; G228-P332 CarbonylContact O-C 3.55Å; G228-P332 WeakPolarHBondContact O-CA 3.38Å
333L97.2Very high97.6Very high60 Ų6010.9 Ų10.931%0.3146%0.06SC..EExtended strand (participates in β ladder)trans-109.4130.2171.6-61.9174.9000108.8C226 T227 G228 V230 Y331C226-L333 CarbonylContact C-O 3.59Å; T227-L333 PolarHBondContact N-O 2.98Å; T227-L333 WeakPolarHBondContact OG1-CB 3.01Å; T227-L333 PolarHBondContact OG1-O 3.47Å; G228-L333 PolarHBondContact O-N 3.16Å; V230-L333 HydrophobicContact CG2-CD1 3.99Å; V230-L333 HydrophobicContact CG2-CD2 3.85Å; V230-L333 HydrophobicContact CG2-CG 4.06Å; Y331-L333 HydrophobicContact CD2-CD2 4.4Å; Y331-L333 HydrophobicContact CE2-CD2 3.9Å
334V93Very high97.6Very high39 Ų3911.8 Ų11.824%0.2367%0.065CC..  trans-1080-178.6-67.70000113.6L151 Q154 K158L151-V334 HydrophobicContact CD1-CG1 3.51Å; Q154-V334 HydrophobicContact CB-CG1 3.79Å; Q154-V334 HydrophobicContact CB-CG2 3.99Å; Q154-V334 WeakPolarHBondContact O-CG2 3.1Å; K158-V334 HydrophobicContact CB-CG2 3.7Å; K158-V334 HydrophobicContact CD-CB 3.92Å; K158-V334 HydrophobicContact CD-CG2 3.64Å; K158-V334 WeakPolarHBondContact CD-O 3.3Å; K158-V334 HydrophobicContact CG-CG2 4.32Å; K158-V334 PolarHBondContact NZ-O 2.89Å; K158-V334 PolarHBondContact NZ-OXT 3.38Å

Retrieved 334 of 334 residues in 602 ms (Link to these results)

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