Q6NXZ5_MOUSE Loading...

ADP-ribosylation factor-like 5B

AlphaFold DB , UniProt , Accession Q6NXZ5, Species MOUSE (Mus musculus, Mouse), Gene Arl5b, Length 180 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
1M45.3Very low47.8Very low200 Ų200121.5 Ų121.599%0.98563%0.629SS**  0-32.40-133.1-172.8-70.100113.4
2M38Very low48Very low177 Ų177121.9 Ų121.987%0.87263%0.632SS**Hα-helixtrans-64-40.6175.8-111.3177.9-169.300114.4L4 I5 F6M2-L4 PolarHBondContact O-N 3.04Å; M2-I5 PolarHBondContact O-N 3.45Å; M2-F6 WeakPolarHBondContact O-CB 3.49Å; M2-F6 PolarHBondContact O-N 3.47Å
3G44.4Very low48.3Very low56 Ų56123.5 Ų123.558%0.57763%0.631SS**Hα-helixtrans-70-29.6-176.700000115.5A7G3-A7 VanDerWaalsContact O-CB 3.27Å; G3-A7 WeakPolarHBondContact O-CB 3.27Å; G3-A7 PolarHBondContact O-N 2.87Å
4L46Very low48.4Very low138 Ų138117.9 Ų117.972%0.72361%0.608SS**Hα-helixtrans-76.2-33.6177-84.2155.9000112.3M2 K8M2-L4 PolarHBondContact O-N 3.04Å; L4-K8 WeakPolarHBondContact O-CB 3.39Å; L4-K8 PolarHBondContact O-N 2.91Å
5I54.5Low48.9Very low103 Ų103117.9 Ų117.953%0.52861%0.609SS.*Hα-helixtrans-71.5-41174-63.3169.1000109.4M2 K8 L9M2-I5 PolarHBondContact O-N 3.45Å; I5-K8 PolarHBondContact O-N 2.83Å; I5-L9 HydrophobicContact CG2-CD1 4.17Å; I5-L9 WeakPolarHBondContact O-CB 3.11Å; I5-L9 PolarHBondContact O-N 3.36Å
6F53.8Low50.6Low146 Ų146117.4 Ų117.464%0.6460%0.603SS**Hα-helixtrans-64.2-43.2174.6-150.6-93.2000111.7M2 K8 L9 W10M2-F6 WeakPolarHBondContact O-CB 3.49Å; M2-F6 PolarHBondContact O-N 3.47Å; F6-K8 PolarHBondContact O-N 2.98Å; F6-L9 PolarHBondContact O-N 2.78Å; F6-W10 HydrophobicContact CE1-CE3 4.38Å; F6-W10 WeakPolarHBondContact O-CB 3.47Å; F6-W10 PolarHBondContact O-N 3.49Å
7A50.7Low52.7Low56 Ų56117.5 Ų117.546%0.46360%0.601SS.*Hα-helixtrans-65.9-34.4175.200000113.3G3 S11G3-A7 VanDerWaalsContact O-CB 3.27Å; G3-A7 WeakPolarHBondContact O-CB 3.27Å; G3-A7 PolarHBondContact O-N 2.87Å; A7-S11 WeakPolarHBondContact O-CB 3.23Å; A7-S11 PolarHBondContact O-N 3.3Å
8K44.5Very low55Low154 Ų154111.7 Ų111.767%0.6757%0.571SS**Hα-helixtrans-72.6-41.7173.2-101.7-178170.4-178.20113L4 I5 F6 W10 S11 L12L4-K8 WeakPolarHBondContact O-CB 3.39Å; L4-K8 PolarHBondContact O-N 2.91Å; I5-K8 PolarHBondContact O-N 2.83Å; F6-K8 PolarHBondContact O-N 2.98Å; K8-W10 VanDerWaalsContact C-N 3.3Å; K8-S11 PolarHBondContact O-N 3.27Å; K8-S11 PolarHBondContact O-OG 3.15Å; K8-L12 WeakPolarHBondContact O-CB 3.47Å; K8-L12 WeakPolarHBondContact O-CD1 3.46Å; K8-L12 VanDerWaalsContact O-CG 3.24Å; K8-L12 WeakPolarHBondContact O-CG 3.45Å; K8-L12 PolarHBondContact O-N 3.45Å
9L53.3Low57.2Low93 Ų93108.1 Ų108.149%0.48755%0.55SS.*Hα-helixtrans-60.9-46.7171.5-113.991.8000109.2I5 F6 S11 L12 F13I5-L9 HydrophobicContact CG2-CD1 4.17Å; I5-L9 WeakPolarHBondContact O-CB 3.11Å; I5-L9 PolarHBondContact O-N 3.36Å; F6-L9 PolarHBondContact O-N 2.78Å; L9-S11 PolarHBondContact O-N 2.78Å; L9-L12 CarbonylContact O-C 3.57Å; L9-L12 WeakPolarHBondContact O-CB 3.34Å; L9-L12 PolarHBondContact O-N 3.41Å; L9-L12 VanDerWaalsContact O-N 3.15Å; L9-F13 HydrophobicContact CD2-CE2 4.29Å; L9-F13 VanDerWaalsContact O-CD2 3.23Å; L9-F13 WeakPolarHBondContact O-CD2 3.46Å; L9-F13 PolarHBondContact O-N 3.43Å
10W50.6Low59.2Low162 Ų162102.7 Ų102.761%0.61452%0.523SS*.Hα-helixtrans-61.3-41.4177.1-165.3-93.1000112F6 K8 L12 F13 C14F6-W10 HydrophobicContact CE1-CE3 4.38Å; F6-W10 WeakPolarHBondContact O-CB 3.47Å; F6-W10 PolarHBondContact O-N 3.49Å; K8-W10 VanDerWaalsContact C-N 3.3Å; W10-L12 VanDerWaalsContact C-N 3.34Å; W10-L12 PolarHBondContact O-N 2.91Å; W10-F13 CarbonylContact O-C 3.56Å; W10-F13 PolarHBondContact O-N 3.23Å; W10-C14 PolarHBondContact NE1-SG 2.79Å; W10-C14 VanDerWaalsContact O-CB 3.28Å; W10-C14 WeakPolarHBondContact O-CB 3.24Å; W10-C14 PolarHBondContact O-N 3.23Å; W10-C14 PolarHBondContact O-SG 3.41Å
11S44.8Very low61.1Low52 Ų5297.8 Ų97.836%0.36450%0.498SS..Hα-helixtrans-70-29.4175.289.40000112.8A7 K8 L9 F13 N15A7-S11 WeakPolarHBondContact O-CB 3.23Å; A7-S11 PolarHBondContact O-N 3.3Å; K8-S11 PolarHBondContact O-N 3.27Å; K8-S11 PolarHBondContact O-OG 3.15Å; L9-S11 PolarHBondContact O-N 2.78Å; S11-F13 VanDerWaalsContact C-N 3.34Å; S11-N15 VanDerWaalsContact O-CB 3.24Å; S11-N15 WeakPolarHBondContact O-CB 3.48Å; S11-N15 VanDerWaalsContact O-CG 3.27Å; S11-N15 PolarHBondContact O-N 2.64Å
12L49.9Very low63.6Low126 Ų12688.2 Ų88.266%0.6645%0.451SS*.Hα-helixtrans-71.2-29.8170.7-74.5164.6000112K8 L9 W10K8-L12 WeakPolarHBondContact O-CB 3.47Å; K8-L12 WeakPolarHBondContact O-CD1 3.46Å; K8-L12 VanDerWaalsContact O-CG 3.24Å; K8-L12 WeakPolarHBondContact O-CG 3.45Å; K8-L12 PolarHBondContact O-N 3.45Å; L9-L12 CarbonylContact O-C 3.57Å; L9-L12 WeakPolarHBondContact O-CB 3.34Å; L9-L12 PolarHBondContact O-N 3.41Å; L9-L12 VanDerWaalsContact O-N 3.15Å; W10-L12 VanDerWaalsContact C-N 3.34Å; W10-L12 PolarHBondContact O-N 2.91Å
13F52Low66.5Low142 Ų14279.8 Ų79.862%0.62341%0.41SS*.Hα-helixtrans-81.1-30.1172-87-78.2000113.1L9 W10 S11L9-F13 HydrophobicContact CD2-CE2 4.29Å; L9-F13 VanDerWaalsContact O-CD2 3.23Å; L9-F13 WeakPolarHBondContact O-CD2 3.46Å; L9-F13 PolarHBondContact O-N 3.43Å; W10-F13 CarbonylContact O-C 3.56Å; W10-F13 PolarHBondContact O-N 3.23Å; S11-F13 VanDerWaalsContact C-N 3.34Å
14C50.3Low69.1Low46 Ų4677.2 Ų77.231%0.31138%0.383SS..Hα-helixtrans-85.4-18.2-180-73.30000113.9W10W10-C14 PolarHBondContact NE1-SG 2.79Å; W10-C14 VanDerWaalsContact O-CB 3.28Å; W10-C14 WeakPolarHBondContact O-CB 3.24Å; W10-C14 PolarHBondContact O-N 3.23Å; W10-C14 PolarHBondContact O-SG 3.41Å
15N55.3Low71.5Confident117 Ų11771 Ų7163%0.62635%0.35SS*.THydrogen-bonded Turntrans-99.718178.3-715.5000113.2S11 E17S11-N15 VanDerWaalsContact O-CB 3.24Å; S11-N15 WeakPolarHBondContact O-CB 3.48Å; S11-N15 VanDerWaalsContact O-CG 3.27Å; S11-N15 PolarHBondContact O-N 2.64Å; N15-E17 PolarHBondContact O-N 3.22Å
16Q75.3Confident73.5Confident110 Ų11068.1 Ų68.151%0.51434%0.336SS..PPolyproline II helixtrans-78.7119.5169-78.3-164.5-54.500109.4H18Q16-H18 PolarHBondContact O-CD2 3.18Å
17E87Confident75.4Confident120 Ų12066.7 Ų66.756%0.56134%0.335SS*.EExtended strand (participates in β ladder)trans-70.5125.6168.4-67.2171.9-166.200109.1N15 H62N15-E17 PolarHBondContact O-N 3.22Å; E17-H62 HydrophobicContact CG-CB 4.4Å
18H94Very high77.7Confident12 Ų1264 Ų646%0.05631%0.313CS..EExtended strand (participates in β ladder)trans-94.6118.2176.7-66.2-76.7000110Q16 V20 H62 F63 L64 E86 F87Q16-H18 PolarHBondContact O-CD2 3.18Å; H18-V20 PolarHBondContact O-N 3.27Å; H18-H62 PolarHBondContact N-O 2.79Å; H18-F63 HydrophobicContact CB-CD1 3.75Å; H18-F63 HydrophobicContact CB-CE1 4.04Å; H18-F63 WeakPolarHBondContact O-CA 3.28Å; H18-L64 PolarHBondContact O-N 2.73Å; H18-E86 WeakPolarHBondContact CA-OE1 3.33Å; H18-E86 IonicContact CE1-OE2 2.79Å; H18-E86 IonicContact CG-OE1 2.7Å; H18-E86 IonicContact CG-OE2 3.89Å; H18-E86 VanDerWaalsContact ND1-CD 3.33Å; H18-E86 IonicContact ND1-OE1 2.81Å; H18-E86 PolarHBondContact ND1-OE1 3.48Å; H18-E86 IonicContact ND1-OE2 3.58Å; H18-E86 PolarHBondContact ND1-OE2 3.44Å; H18-F87 HydrophobicContact CB-CE2 4.41Å
19K96.4Very high80.2Confident43 Ų4357.3 Ų57.319%0.18729%0.288CS..EExtended strand (participates in β ladder)trans-77.5126.8179.7-177.2175.6173.3-177.10111Y81 S83 N84 E86 F87K19-Y81 WeakPolarHBondContact CE-O 3.23Å; K19-Y81 PolarHBondContact NZ-O 3.13Å; K19-S83 PolarHBondContact NZ-O 3.17Å; K19-N84 WeakPolarHBondContact CB-O 3.42Å; K19-E86 PolarHBondContact O-N 3.47Å; K19-F87 PolarHBondContact O-N 2.89Å
20V98.3Very high82.3Confident0 Ų053.4 Ų53.40%027%0.267CS..EExtended strand (participates in β ladder)trans-124.2136.5178.4-172.40000109.5H18 F63 L64 M65 W66 F87 I89 M173H18-V20 PolarHBondContact O-N 3.27Å; V20-F63 HydrophobicContact CG2-CB 4.08Å; V20-F63 HydrophobicContact CG2-CD1 3.6Å; V20-F63 HydrophobicContact CG2-CE1 4.5Å; V20-F63 HydrophobicContact CG2-CG 4.26Å; V20-L64 PolarHBondContact N-O 3.06Å; V20-M65 HydrophobicContact CB-CG 4.03Å; V20-M65 HydrophobicContact CG1-CG 4.46Å; V20-M65 HydrophobicContact CG2-CG 4.3Å; V20-M65 WeakPolarHBondContact O-CA 3.38Å; V20-W66 PolarHBondContact O-N 2.75Å; V20-F87 WeakPolarHBondContact CA-O 3.34Å; V20-F87 HydrophobicContact CB-CB 4.45Å; V20-F87 HydrophobicContact CG1-CB 4.08Å; V20-F87 HydrophobicContact CG2-CB 4.11Å; V20-F87 HydrophobicContact CG2-CD2 4.37Å; V20-I89 HydrophobicContact CG1-CD1 3.75Å; V20-I89 HydrophobicContact CG1-CG1 3.72Å; V20-M173 HydrophobicContact CG1-CE 4.01Å; V20-M173 HydrophobicContact CG2-CE 3.79Å
21I98.4Very high84.4Confident0 Ų046.5 Ų46.50%024%0.242CC..EExtended strand (participates in β ladder)trans-107133.8165.567.4-178.8000109.7V23 W66 I68 Y82 T85 F87 I88 I89 L116I21-V23 HydrophobicContact CB-CG1 4.39Å; I21-V23 HydrophobicContact CD1-CG1 4.18Å; I21-V23 HydrophobicContact CG1-CG1 4.19Å; I21-W66 HydrophobicContact CG2-CB 4.39Å; I21-I68 HydrophobicContact CB-CD1 3.98Å; I21-I68 HydrophobicContact CG2-CD1 4.18Å; I21-Y82 HydrophobicContact CD1-CD1 3.78Å; I21-Y82 HydrophobicContact CD1-CE1 3.93Å; I21-T85 HydrophobicContact CB-CG2 4.46Å; I21-T85 HydrophobicContact CD1-CG2 4.13Å; I21-T85 HydrophobicContact CG1-CG2 3.9Å; I21-T85 HydrophobicContact CG2-CG2 4.06Å; I21-F87 PolarHBondContact N-O 3.05Å; I21-I88 HydrophobicContact CD1-CG1 4.1Å; I21-I88 HydrophobicContact CD1-CG2 4.4Å; I21-I88 HydrophobicContact CG1-CB 4.32Å; I21-I88 HydrophobicContact CG1-CG1 4.1Å; I21-I88 HydrophobicContact CG1-CG2 4.15Å; I21-I89 PolarHBondContact O-N 3.19Å; I21-L116 HydrophobicContact CD1-CD2 4.42Å
22I98.6Very high86.8Confident0 Ų044.8 Ų44.80%023%0.23CC..EExtended strand (participates in β ladder)trans-104.9115.1172.3-47.4179.6000107.6K30 L34 M65 W66 I68 I89 V91I22-K30 HydrophobicContact CG2-CB 3.77Å; I22-K30 HydrophobicContact CG2-CD 4.33Å; I22-K30 HydrophobicContact CG2-CG 4Å; I22-L34 HydrophobicContact CD1-CB 4.1Å; I22-L34 HydrophobicContact CD1-CD1 3.97Å; I22-M65 HydrophobicContact CD1-CB 4.15Å; I22-M65 HydrophobicContact CD1-SD 4.07Å; I22-W66 PolarHBondContact N-O 3.17Å; I22-I68 PolarHBondContact O-N 3.18Å; I22-I68 VanDerWaalsContact O-N 3.12Å; I22-I89 WeakPolarHBondContact CA-O 3.28Å; I22-I89 HydrophobicContact CG1-CB 4.26Å; I22-I89 HydrophobicContact CG1-CD1 4.32Å; I22-I89 HydrophobicContact CG2-CB 4.32Å; I22-I89 HydrophobicContact CG2-CG2 4.18Å; I22-V91 HydrophobicContact CG2-CG2 3.78Å
23V98.4Very high89.1Confident0 Ų038.8 Ų38.80%020%0.198CC..EExtended strand (participates in β ladder)trans-133.2165.9-172.1-67.20000110.7I21 I68 W78 I88 I89 L90 V91 M110I21-V23 HydrophobicContact CB-CG1 4.39Å; I21-V23 HydrophobicContact CD1-CG1 4.18Å; I21-V23 HydrophobicContact CG1-CG1 4.19Å; V23-I68 HydrophobicContact CG1-CB 4.49Å; V23-I68 HydrophobicContact CG1-CD1 3.88Å; V23-W78 HydrophobicContact CB-CD2 4.46Å; V23-W78 HydrophobicContact CB-CE3 4.19Å; V23-W78 HydrophobicContact CB-CH2 4.13Å; V23-W78 HydrophobicContact CB-CZ2 4.38Å; V23-W78 HydrophobicContact CB-CZ3 4.01Å; V23-W78 HydrophobicContact CG1-CD2 4.17Å; V23-W78 HydrophobicContact CG1-CE3 4.19Å; V23-I88 HydrophobicContact CG2-CG2 3.63Å; V23-I89 PolarHBondContact N-O 3.07Å; V23-L90 HydrophobicContact CG2-CD1 4.27Å; V23-L90 WeakPolarHBondContact O-CA 3.39Å; V23-V91 PolarHBondContact O-N 3.39Å; V23-M110 HydrophobicContact CB-SD 4.27Å; V23-M110 HydrophobicContact CG1-SD 4.36Å; V23-M110 HydrophobicContact CG2-CE 3.74Å; V23-M110 HydrophobicContact CG2-SD 3.76Å
24G98.1Very high91.1Very high1 Ų132 Ų321%0.0117%0.169CC..  trans136.5163.8-171.200000111.1K30 G70G24-K30 WeakPolarHBondContact O-CE 3.24Å; G24-K30 PolarHBondContact O-NZ 3.43Å; G24-G70 WeakPolarHBondContact O-CA 3.24Å
25L97.8Very high93.1Very high8 Ų832.3 Ų32.34%0.04216%0.163CC..  trans-63161.8-174.8-48.6-174.7000111.5A28 K30 R75 R99 I102 T103L25-A28 VanDerWaalsContact O-CB 3.28Å; L25-A28 WeakPolarHBondContact O-CB 3.47Å; L25-A28 PolarHBondContact O-N 3.19Å; L25-K30 PolarHBondContact O-NZ 3.21Å; L25-R75 VanDerWaalsContact CD2-CZ 3.48Å; L25-R99 HydrophobicContact CD1-CB 3.54Å; L25-I102 HydrophobicContact CD1-CB 4.24Å; L25-I102 HydrophobicContact CD1-CG2 4.44Å; L25-I102 HydrophobicContact CD2-CB 4.46Å; L25-I102 HydrophobicContact CD2-CG2 3.86Å; L25-T103 WeakPolarHBondContact CD1-OG1 3.49Å
26D95.4Very high94.9Very high43 Ų4327.3 Ų27.323%0.2314%0.137CC..THydrogen-bonded Turntrans-52.1146.4167.954.8-79.2000110.9A28 G70 Q71 R75 R99D26-A28 PolarHBondContact O-N 3.08Å; D26-A28 VanDerWaalsContact O-N 3.09Å; D26-G70 PolarHBondContact N-O 3.25Å; D26-G70 VanDerWaalsContact N-O 3.1Å; D26-Q71 HydrophobicContact CB-CG 4.09Å; D26-R75 IonicContact OD1-NH2 3.74Å; D26-R75 PolarHBondContact OD1-NH2 3.46Å; D26-R99 PolarHBondContact O-NH2 2.96Å; D26-R99 IonicContact OD1-NH1 3.64Å; D26-R99 PolarHBondContact OD1-NH1 3Å; D26-R99 IonicContact OD2-CZ 2.68Å; D26-R99 IonicContact OD2-NH1 2.69Å; D26-R99 PolarHBondContact OD2-NH1 3.02Å; D26-R99 IonicContact OD2-NH2 3.84Å
27N95Very high95.6Very high115 Ų11523.7 Ų23.762%0.61512%0.119SC*.THydrogen-bonded Turntrans64.13.2-176.8-161.237.2000116.4G29 K127N27-G29 PolarHBondContact O-N 2.97Å; N27-K127 WeakPolarHBondContact O-CE 3.36Å; N27-K127 PolarHBondContact O-NZ 3.2Å
28A97.7Very high95.6Very high1 Ų121.3 Ų21.31%0.00811%0.11CC..SBendtrans-66.9-18.3177.700000114.5L25 D26 V91 D93 N126L25-A28 VanDerWaalsContact O-CB 3.28Å; L25-A28 WeakPolarHBondContact O-CB 3.47Å; L25-A28 PolarHBondContact O-N 3.19Å; D26-A28 PolarHBondContact O-N 3.08Å; D26-A28 VanDerWaalsContact O-N 3.09Å; A28-V91 HydrophobicContact CB-CB 4.32Å; A28-V91 HydrophobicContact CB-CG1 4.07Å; A28-V91 WeakPolarHBondContact CB-O 3.18Å; A28-V91 VanDerWaalsContact O-CG1 3.26Å; A28-V91 WeakPolarHBondContact O-CG1 3.48Å; A28-D93 HydrophobicContact CB-CB 4.37Å; A28-N126 PolarHBondContact O-ND2 3.34Å
29G97.2Very high95.1Very high13 Ų1325.2 Ų25.213%0.13413%0.129CC..SBendtrans99.921.9178.800000115.3N27 T32 I33N27-G29 PolarHBondContact O-N 2.97Å; G29-T32 PolarHBondContact O-N 3.45Å; G29-I33 WeakPolarHBondContact O-CG1 3.33Å; G29-I33 PolarHBondContact O-N 3.46Å
30K97.4Very high94.1Very high11 Ų1129.4 Ų29.45%0.04815%0.154CC..Hα-helixtrans-56.1-55.3-179.9-60-175.7-61.2-67.20113.3I22 G24 L25 T32 I33 L34 D67 I68 V91I22-K30 HydrophobicContact CG2-CB 3.77Å; I22-K30 HydrophobicContact CG2-CD 4.33Å; I22-K30 HydrophobicContact CG2-CG 4Å; G24-K30 WeakPolarHBondContact O-CE 3.24Å; G24-K30 PolarHBondContact O-NZ 3.43Å; L25-K30 PolarHBondContact O-NZ 3.21Å; K30-T32 VanDerWaalsContact C-N 3.3Å; K30-T32 PolarHBondContact O-N 3.16Å; K30-I33 WeakPolarHBondContact O-CB 3.38Å; K30-I33 PolarHBondContact O-N 3.13Å; K30-I33 VanDerWaalsContact O-N 3.16Å; K30-L34 PolarHBondContact O-N 3.09Å; K30-D67 WeakPolarHBondContact CB-OD1 3.24Å; K30-I68 WeakPolarHBondContact CE-O 3.48Å; K30-V91 HydrophobicContact CB-CG2 4.41Å; K30-V91 HydrophobicContact CG-CB 3.82Å; K30-V91 HydrophobicContact CG-CG2 3.82Å
31T95.3Very high92.6Very high17 Ų1736 Ų3610%0.10418%0.184CC..Hα-helixtrans-64.1-36.6179.8-38.90000111.9L34 Y35 T45 T48 D67T31-L34 PolarHBondContact O-N 3.37Å; T31-Y35 HydrophobicContact CG2-CD2 3.84Å; T31-Y35 HydrophobicContact CG2-CE2 3.57Å; T31-Y35 WeakPolarHBondContact O-CD2 3.44Å; T31-Y35 PolarHBondContact O-N 3.34Å; T31-T45 HydrophobicContact CG2-CG2 3.66Å; T31-T48 PolarHBondContact OG1-OG1 2.84Å; T31-D67 WeakPolarHBondContact CB-OD2 3.44Å; T31-D67 PolarHBondContact OG1-OD2 2.85Å
32T95.9Very high90.9Very high16 Ų1639.1 Ų39.110%0.09820%0.203CC..Hα-helixtrans-62.4-43.5174.2-45.60000111.2G29 K30 Y35 Q36 A160 L161G29-T32 PolarHBondContact O-N 3.45Å; K30-T32 VanDerWaalsContact C-N 3.3Å; K30-T32 PolarHBondContact O-N 3.16Å; T32-Y35 PolarHBondContact O-N 2.99Å; T32-Q36 VanDerWaalsContact O-CB 3.25Å; T32-Q36 WeakPolarHBondContact O-CB 3.22Å; T32-Q36 PolarHBondContact O-N 3.26Å; T32-A160 HydrophobicContact CG2-CB 3.74Å; T32-L161 HydrophobicContact CG2-CD2 4.03Å
33I96.5Very high89.5Confident0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-62.2-45175.1-71.7174.8000111G29 K30 Y35 Q36 F37 V91 F124 A160 L166G29-I33 WeakPolarHBondContact O-CG1 3.33Å; G29-I33 PolarHBondContact O-N 3.46Å; K30-I33 WeakPolarHBondContact O-CB 3.38Å; K30-I33 PolarHBondContact O-N 3.13Å; K30-I33 VanDerWaalsContact O-N 3.16Å; I33-Y35 PolarHBondContact O-N 3.49Å; I33-Q36 PolarHBondContact O-N 2.85Å; I33-F37 HydrophobicContact CG2-CD2 3.91Å; I33-F37 HydrophobicContact CG2-CE2 3.34Å; I33-F37 HydrophobicContact CG2-CZ 3.73Å; I33-F37 WeakPolarHBondContact O-CD2 3.43Å; I33-F37 WeakPolarHBondContact O-CG 3.34Å; I33-F37 PolarHBondContact O-N 3.05Å; I33-V91 HydrophobicContact CD1-CB 4.48Å; I33-V91 HydrophobicContact CD1-CG1 3.73Å; I33-V91 HydrophobicContact CD1-CG2 3.87Å; I33-F124 HydrophobicContact CD1-CB 4.14Å; I33-F124 HydrophobicContact CD1-CD2 3.88Å; I33-F124 HydrophobicContact CD1-CG 4.15Å; I33-F124 HydrophobicContact CG2-CD2 4.42Å; I33-F124 HydrophobicContact CG2-CE2 4.22Å; I33-A160 HydrophobicContact CD1-CB 4.42Å; I33-A160 HydrophobicContact CG1-CB 3.55Å; I33-L166 HydrophobicContact CD1-CD2 4.12Å; I33-L166 HydrophobicContact CG1-CD1 4.46Å; I33-L166 HydrophobicContact CG1-CD2 3.97Å; I33-L166 HydrophobicContact CG2-CD1 4.47Å; I33-L166 HydrophobicContact CG2-CD2 4.21Å
34L95.3Very high88.4Confident0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-57.1-49.2177.8-178.562.3000111.6I22 K30 T31 F37 L38 E54 I56 M65 D67I22-L34 HydrophobicContact CD1-CB 4.1Å; I22-L34 HydrophobicContact CD1-CD1 3.97Å; K30-L34 PolarHBondContact O-N 3.09Å; T31-L34 PolarHBondContact O-N 3.37Å; L34-F37 WeakPolarHBondContact O-CB 3.49Å; L34-F37 PolarHBondContact O-N 2.81Å; L34-L38 PolarHBondContact O-N 3.34Å; L34-L38 VanDerWaalsContact O-N 3.1Å; L34-E54 HydrophobicContact CD1-CB 4.08Å; L34-E54 HydrophobicContact CD1-CG 4.39Å; L34-E54 HydrophobicContact CD2-CB 4.35Å; L34-E54 HydrophobicContact CD2-CG 3.84Å; L34-E54 HydrophobicContact CG-CB 4.39Å; L34-E54 HydrophobicContact CG-CG 4.16Å; L34-I56 HydrophobicContact CD1-CD1 4.36Å; L34-I56 HydrophobicContact CD1-CG1 4.29Å; L34-M65 HydrophobicContact CD1-CB 3.71Å; L34-M65 HydrophobicContact CD1-CG 4.41Å; L34-M65 HydrophobicContact CD1-SD 4.04Å; L34-D67 HydrophobicContact CD2-CB 3.73Å
35Y92.6Very high87.4Confident51 Ų5152.5 Ų52.520%0.227%0.272CS..Hα-helixtrans-71.2-31.1178.6-74.3-53.5000113.3T31 T32 I33 F37 L38 M39 V43 T45T31-Y35 HydrophobicContact CG2-CD2 3.84Å; T31-Y35 HydrophobicContact CG2-CE2 3.57Å; T31-Y35 WeakPolarHBondContact O-CD2 3.44Å; T31-Y35 PolarHBondContact O-N 3.34Å; T32-Y35 PolarHBondContact O-N 2.99Å; I33-Y35 PolarHBondContact O-N 3.49Å; Y35-F37 VanDerWaalsContact C-N 3.26Å; Y35-F37 PolarHBondContact O-N 3.23Å; Y35-L38 HydrophobicContact CD1-CD2 4.13Å; Y35-L38 HydrophobicContact CE1-CD2 4.3Å; Y35-L38 PolarHBondContact O-N 2.88Å; Y35-L38 VanDerWaalsContact O-N 3.16Å; Y35-M39 HydrophobicContact CD1-CE 4.02Å; Y35-M39 HydrophobicContact CD1-SD 4.43Å; Y35-M39 HydrophobicContact CE1-CE 4.24Å; Y35-M39 PolarHBondContact O-N 2.84Å; Y35-V43 HydrophobicContact CD2-CB 4.13Å; Y35-V43 HydrophobicContact CD2-CG1 4.3Å; Y35-V43 HydrophobicContact CD2-CG2 4.48Å; Y35-V43 HydrophobicContact CG-CB 4.24Å; Y35-V43 HydrophobicContact CG-CG2 4.12Å; Y35-T45 HydrophobicContact CD2-CG2 3.86Å; Y35-T45 HydrophobicContact CE2-CG2 4.13Å
36Q93.4Very high86.5Confident13 Ų1356.9 Ų56.96%0.06130%0.303CS..Hα-helixtrans-62.8-36.5172.7-167.564.333.300111T32 I33 N40 E41 A160 L166T32-Q36 VanDerWaalsContact O-CB 3.25Å; T32-Q36 WeakPolarHBondContact O-CB 3.22Å; T32-Q36 PolarHBondContact O-N 3.26Å; I33-Q36 PolarHBondContact O-N 2.85Å; Q36-N40 VanDerWaalsContact O-CA 3.3Å; Q36-N40 WeakPolarHBondContact O-CA 3.39Å; Q36-N40 PolarHBondContact O-N 3.16Å; Q36-N40 VanDerWaalsContact O-N 3.13Å; Q36-E41 PolarHBondContact OE1-O 3.32Å; Q36-A160 PolarHBondContact OE1-O 3.14Å; Q36-L166 HydrophobicContact CB-CD1 3.81Å; Q36-L166 HydrophobicContact CG-CD1 3.53Å
37F89.6Confident85.7Confident34 Ų3459.2 Ų59.215%0.14932%0.321CS..Hα-helixtrans-68.2-38.6172-66.6-39.1000113.3I33 L34 Y35 I56 M65 I89 F124 L166 L170I33-F37 HydrophobicContact CG2-CD2 3.91Å; I33-F37 HydrophobicContact CG2-CE2 3.34Å; I33-F37 HydrophobicContact CG2-CZ 3.73Å; I33-F37 WeakPolarHBondContact O-CD2 3.43Å; I33-F37 WeakPolarHBondContact O-CG 3.34Å; I33-F37 PolarHBondContact O-N 3.05Å; L34-F37 WeakPolarHBondContact O-CB 3.49Å; L34-F37 PolarHBondContact O-N 2.81Å; Y35-F37 VanDerWaalsContact C-N 3.26Å; Y35-F37 PolarHBondContact O-N 3.23Å; F37-I56 HydrophobicContact CB-CD1 3.92Å; F37-I56 HydrophobicContact CB-CG1 4.13Å; F37-I56 HydrophobicContact CB-CG2 3.9Å; F37-M65 HydrophobicContact CD2-CE 4.17Å; F37-M65 HydrophobicContact CD2-SD 3.93Å; F37-M65 HydrophobicContact CE2-CE 4.32Å; F37-M65 HydrophobicContact CE2-SD 4.29Å; F37-I89 HydrophobicContact CE2-CD1 4.48Å; F37-F124 AromaticContact CZ-CE2 3.99Å; F37-F124 HydrophobicContact CZ-CE2 3.99Å; F37-F124 HydrophobicContact CZ-CZ 4.09Å; F37-L166 HydrophobicContact CD1-CB 4.47Å; F37-L166 HydrophobicContact CE1-CB 3.66Å; F37-L166 HydrophobicContact CE1-CD1 4.25Å; F37-L166 HydrophobicContact CE1-CG 4.45Å; F37-L166 HydrophobicContact CZ-CB 4.27Å; F37-L170 HydrophobicContact CD1-CD1 3.4Å; F37-L170 HydrophobicContact CD1-CG 4.14Å; F37-L170 HydrophobicContact CE1-CD1 3.17Å; F37-L170 HydrophobicContact CE1-CD2 3.96Å; F37-L170 HydrophobicContact CE1-CG 3.43Å; F37-L170 VanDerWaalsContact CE1-CG 3.43Å; F37-L170 HydrophobicContact CE2-CD2 4.03Å; F37-L170 HydrophobicContact CE2-CG 4.39Å; F37-L170 HydrophobicContact CG-CD1 4.18Å; F37-L170 HydrophobicContact CZ-CD1 3.84Å; F37-L170 HydrophobicContact CZ-CD2 3.69Å; F37-L170 HydrophobicContact CZ-CG 3.6Å
38L86.7Confident84.9Confident69 Ų6955 Ų5536%0.36130%0.3SS..Hα-helixtrans-76-44.7-174.8-176.262.9000112.8L34 Y35 E54 I56L34-L38 PolarHBondContact O-N 3.34Å; L34-L38 VanDerWaalsContact O-N 3.1Å; Y35-L38 HydrophobicContact CD1-CD2 4.13Å; Y35-L38 HydrophobicContact CE1-CD2 4.3Å; Y35-L38 PolarHBondContact O-N 2.88Å; Y35-L38 VanDerWaalsContact O-N 3.16Å; L38-E54 HydrophobicContact CD2-CG 4.35Å; L38-I56 HydrophobicContact CB-CD1 3.78Å; L38-I56 HydrophobicContact CD1-CD1 4.01Å; L38-I56 HydrophobicContact CG-CD1 4.49Å
39M82.9Confident84.2Confident95 Ų9562 Ų6247%0.46834%0.335SS..Hα-helixtrans-114.2-12.1-165.9-57.8-176.5179.600113Y35 E41 V43Y35-M39 HydrophobicContact CD1-CE 4.02Å; Y35-M39 HydrophobicContact CD1-SD 4.43Å; Y35-M39 HydrophobicContact CE1-CE 4.24Å; Y35-M39 PolarHBondContact O-N 2.84Å; M39-E41 HydrophobicContact CB-CB 4.26Å; M39-E41 PolarHBondContact O-N 3Å; M39-E41 VanDerWaalsContact O-N 3.1Å; M39-V43 HydrophobicContact SD-CG2 4.03Å
40N75.8Confident83.8Confident131 Ų13162.8 Ų62.870%0.70134%0.343SS*.SBendtrans52.324.5-168.2-16147.5000113.2Q36Q36-N40 VanDerWaalsContact O-CA 3.3Å; Q36-N40 WeakPolarHBondContact O-CA 3.39Å; Q36-N40 PolarHBondContact O-N 3.16Å; Q36-N40 VanDerWaalsContact O-N 3.13Å
41E65.8Low83.4Confident138 Ų13864.4 Ų64.465%0.64536%0.356SS*.SBendtrans-132.4151.2-178.9-72.7-171.5173.700110Q36 M39 V43Q36-E41 PolarHBondContact OE1-O 3.32Å; M39-E41 HydrophobicContact CB-CB 4.26Å; M39-E41 PolarHBondContact O-N 3Å; M39-E41 VanDerWaalsContact O-N 3.1Å; E41-V43 PolarHBondContact O-N 3.49Å
42V63.9Low83.1Confident65 Ų6565.9 Ų65.939%0.39436%0.363SS..PPolyproline II helixtrans-81116.6178.6-175.20000109.9L161V42-L161 HydrophobicContact CG1-CD2 3.56Å; V42-L161 WeakPolarHBondContact CG2-O 3.4Å
43V70Confident83Confident47 Ų4767.3 Ų67.329%0.28537%0.372SS..PPolyproline II helixtrans-100125.4169.8-175.60000108.8Y35 M39 E41 T45Y35-V43 HydrophobicContact CD2-CB 4.13Å; Y35-V43 HydrophobicContact CD2-CG1 4.3Å; Y35-V43 HydrophobicContact CD2-CG2 4.48Å; Y35-V43 HydrophobicContact CG-CB 4.24Å; Y35-V43 HydrophobicContact CG-CG2 4.12Å; M39-V43 HydrophobicContact SD-CG2 4.03Å; E41-V43 PolarHBondContact O-N 3.49Å; V43-T45 HydrophobicContact CB-CG2 4.47Å; V43-T45 HydrophobicContact CG1-CG2 4.24Å; V43-T45 PolarHBondContact O-N 3.01Å
44H73.8Confident82.8Confident183 Ų18369.9 Ų69.985%0.84738%0.384SS*.PPolyproline II helixtrans-69.6120.6167.2-74.8-67.8000109.2
45T78.3Confident82.7Confident52 Ų5274.4 Ų74.432%0.31941%0.405SS..  trans-117.3141.5-173.956.80000111.7T31 Y35 V43T31-T45 HydrophobicContact CG2-CG2 3.66Å; Y35-T45 HydrophobicContact CD2-CG2 3.86Å; Y35-T45 HydrophobicContact CE2-CG2 4.13Å; V43-T45 HydrophobicContact CB-CG2 4.47Å; V43-T45 HydrophobicContact CG1-CG2 4.24Å; V43-T45 PolarHBondContact O-N 3.01Å
46S79Confident82.6Confident101 Ų10172.3 Ų72.371%0.70640%0.397SS*.PPolyproline II helixtrans-83.5162.9164.1-660000110.7T48S46-T48 PolarHBondContact O-N 3.35Å
47P77.5Confident82.3Confident92 Ų9275.5 Ų75.560%0.59742%0.418SS*.PPolyproline II helixtrans-54.7128.6174.7-25.834.8000112.5
48T79.1Confident82.1Confident27 Ų2775 Ų7517%0.16642%0.417CS..PPolyproline II helixtrans-64.6133.4176.3-46.50000111.2T31 S46 D67T31-T48 PolarHBondContact OG1-OG1 2.84Å; S46-T48 PolarHBondContact O-N 3.35Å; T48-D67 PolarHBondContact OG1-OD2 3.29Å; T48-D67 VanDerWaalsContact OG1-OD2 3.08Å
49I81.9Confident81.8Confident147 Ų14778.7 Ų78.775%0.75443%0.43SS*.SBendtrans-104.7120.6169.3-58.7175.9000107.1
50G88.4Confident81.7Confident30 Ų3080.3 Ų80.331%0.30944%0.441SS..SBendtrans76.9-121.4-175.900000112.3G69G50-G69 PolarHBondContact O-N 2.96Å
51S89.7Confident82.2Confident44 Ų4475.1 Ų75.131%0.30841%0.414SS..EExtended strand (participates in β ladder)trans-143.2149.1179.859.40000113D67 Y81S51-D67 CarbonylContact C-O 3.57Å; S51-D67 WeakPolarHBondContact CA-O 3.37Å; S51-Y81 WeakPolarHBondContact CB-OH 3.31Å; S51-Y81 WeakPolarHBondContact OG-CE1 3.3Å; S51-Y81 PolarHBondContact OG-OH 3.18Å
52N90.1Very high83.4Confident48 Ų4871 Ų7126%0.25739%0.394SS..EExtended strand (participates in β ladder)trans-112.9151165.1-168.950.8000110.2E54 W66 D67N52-E54 WeakPolarHBondContact ND2-CG 3.46Å; N52-E54 PolarHBondContact ND2-OE1 3.14Å; N52-W66 CarbonylContact O-C 3.49Å; N52-W66 WeakPolarHBondContact O-CA 3.46Å; N52-D67 PolarHBondContact N-O 2.81Å; N52-D67 PolarHBondContact O-N 2.83Å
53V92.6Very high84.8Confident47 Ų4767.9 Ų67.929%0.28538%0.376SS..EExtended strand (participates in β ladder)trans-130127.1176.8-170.60000109.6L64 M65 W66V53-L64 HydrophobicContact CG1-CD1 3.48Å; V53-L64 VanDerWaalsContact CG1-CD1 3.48Å; V53-L64 HydrophobicContact CG1-CD2 4.45Å; V53-L64 HydrophobicContact CG1-CG 3.76Å; V53-M65 WeakPolarHBondContact CA-O 3.12Å; V53-W66 HydrophobicContact CB-CD2 4.44Å; V53-W66 HydrophobicContact CG1-CD2 4.25Å; V53-W66 HydrophobicContact CG1-CZ2 4.31Å; V53-W66 HydrophobicContact CG2-CD2 3.36Å; V53-W66 HydrophobicContact CG2-CE3 3.12Å; V53-W66 HydrophobicContact CG2-CG 4.08Å; V53-W66 HydrophobicContact CG2-CH2 3.68Å; V53-W66 HydrophobicContact CG2-CZ2 3.88Å; V53-W66 HydrophobicContact CG2-CZ3 3.3Å
54E93.4Very high86Confident53 Ų5368 Ų6825%0.24837%0.374CS..EExtended strand (participates in β ladder)trans-131.9151.7173.6-56.5-67.4169.100110.1L34 L38 N52 M65L34-E54 HydrophobicContact CD1-CB 4.08Å; L34-E54 HydrophobicContact CD1-CG 4.39Å; L34-E54 HydrophobicContact CD2-CB 4.35Å; L34-E54 HydrophobicContact CD2-CG 3.84Å; L34-E54 HydrophobicContact CG-CB 4.39Å; L34-E54 HydrophobicContact CG-CG 4.16Å; L38-E54 HydrophobicContact CD2-CG 4.35Å; N52-E54 WeakPolarHBondContact ND2-CG 3.46Å; N52-E54 PolarHBondContact ND2-OE1 3.14Å; E54-M65 PolarHBondContact N-O 2.84Å; E54-M65 VanDerWaalsContact N-O 3.11Å; E54-M65 PolarHBondContact O-N 2.8Å
55E92.1Very high87.1Confident95 Ų9559.2 Ų59.244%0.44433%0.334SS..EExtended strand (participates in β ladder)trans-95.2123171.7-173.9-177.2-176.900109.8H62 F63E55-H62 IonicContact OE1-CE1 3.23Å; E55-H62 IonicContact OE1-CG 3.88Å; E55-H62 IonicContact OE1-ND1 3.94Å; E55-H62 PolarHBondContact OE1-ND1 2.98Å; E55-F63 WeakPolarHBondContact CA-O 3.45Å
56I90.3Very high88Confident7 Ų760 Ų604%0.03633%0.331CS..EExtended strand (participates in β ladder)trans-114.4124.9177.3-54.5-58.1000109L34 F37 L38 V58 F63 M65L34-I56 HydrophobicContact CD1-CD1 4.36Å; L34-I56 HydrophobicContact CD1-CG1 4.29Å; F37-I56 HydrophobicContact CB-CD1 3.92Å; F37-I56 HydrophobicContact CB-CG1 4.13Å; F37-I56 HydrophobicContact CB-CG2 3.9Å; L38-I56 HydrophobicContact CB-CD1 3.78Å; L38-I56 HydrophobicContact CD1-CD1 4.01Å; L38-I56 HydrophobicContact CG-CD1 4.49Å; I56-V58 HydrophobicContact CG2-CG2 4.01Å; I56-F63 HydrophobicContact CB-CB 4.46Å; I56-F63 PolarHBondContact N-O 2.92Å; I56-F63 PolarHBondContact O-N 2.84Å; I56-M65 HydrophobicContact CB-CE 3.97Å; I56-M65 HydrophobicContact CB-SD 4.28Å; I56-M65 HydrophobicContact CG1-CE 4.04Å; I56-M65 HydrophobicContact CG1-CG 4.07Å; I56-M65 HydrophobicContact CG1-SD 3.68Å; I56-M65 HydrophobicContact CG2-CE 4.24Å
57V87.6Confident88.8Confident81 Ų8155.2 Ų55.249%0.49130%0.297SS..EExtended strand (participates in β ladder)trans-104.5117.1179.3-174.10000110.5T61V57-T61 CarbonylContact C-O 3.5Å; V57-T61 WeakPolarHBondContact CA-O 3.37Å
58V84.6Confident89.6Confident23 Ų2350.9 Ų50.914%0.13927%0.269CS..EExtended strand (participates in β ladder)trans-122.7115.7178.7-173.60000109.3I56 N60 T61 F63 L170I56-V58 HydrophobicContact CG2-CG2 4.01Å; V58-N60 PolarHBondContact O-N 2.89Å; V58-N60 VanDerWaalsContact O-N 3.16Å; V58-T61 PolarHBondContact N-O 2.83Å; V58-T61 WeakPolarHBondContact O-CA 3.33Å; V58-T61 WeakPolarHBondContact O-CB 3.26Å; V58-T61 PolarHBondContact O-N 3.17Å; V58-F63 HydrophobicContact CB-CD2 4.45Å; V58-F63 HydrophobicContact CB-CE2 4.04Å; V58-F63 HydrophobicContact CG2-CD2 4.05Å; V58-F63 HydrophobicContact CG2-CE2 4Å; V58-L170 HydrophobicContact CG2-CD1 3.81Å
59K80.8Confident90.2Very high147 Ų14749.6 Ų49.664%0.63926%0.261SS*.THydrogen-bonded Turntrans49.541.8178.1-59.6177.7-175.2169.90113.1T61 E171K59-T61 VanDerWaalsContact C-N 3.27Å; K59-T61 PolarHBondContact O-N 3.47Å; K59-E171 IonicContact NZ-OE1 3.62Å; K59-E171 PolarHBondContact NZ-OE1 3.14Å
60N82.2Confident90.7Very high128 Ų12842.7 Ų42.768%0.68423%0.227SC*.THydrogen-bonded Turntrans69.89.8-174.9-51.5-31.7000115.9V58V58-N60 PolarHBondContact O-N 2.89Å; V58-N60 VanDerWaalsContact O-N 3.16Å
61T85.6Confident90.9Very high23 Ų2344.4 Ų44.414%0.14123%0.227CC..EExtended strand (participates in β ladder)trans-92.3129.4169-59.90000109.5V57 V58 K59 F63 I177V57-T61 CarbonylContact C-O 3.5Å; V57-T61 WeakPolarHBondContact CA-O 3.37Å; V58-T61 PolarHBondContact N-O 2.83Å; V58-T61 WeakPolarHBondContact O-CA 3.33Å; V58-T61 WeakPolarHBondContact O-CB 3.26Å; V58-T61 PolarHBondContact O-N 3.17Å; K59-T61 VanDerWaalsContact C-N 3.27Å; K59-T61 PolarHBondContact O-N 3.47Å; T61-F63 HydrophobicContact CG2-CD2 4.09Å; T61-F63 HydrophobicContact CG2-CE1 4.11Å; T61-F63 HydrophobicContact CG2-CE2 3.54Å; T61-F63 HydrophobicContact CG2-CZ 3.56Å; T61-I177 HydrophobicContact CG2-CD1 3.28Å
62H90.6Very high91Very high50 Ų5049.8 Ų49.823%0.23125%0.247CC..EExtended strand (participates in β ladder)trans-96.9119.9179.3-66.7-107.6000109.7E17 H18 E55E17-H62 HydrophobicContact CG-CB 4.4Å; H18-H62 PolarHBondContact N-O 2.79Å; E55-H62 IonicContact OE1-CE1 3.23Å; E55-H62 IonicContact OE1-CG 3.88Å; E55-H62 IonicContact OE1-ND1 3.94Å; E55-H62 PolarHBondContact OE1-ND1 2.98Å
63F93.7Very high91.1Very high0 Ų051.8 Ų51.80%027%0.265CS..EExtended strand (participates in β ladder)trans-110122.3174.5-65.6-79.3000109.8H18 V20 E55 I56 V58 T61 M65 F87 M173 I177H18-F63 HydrophobicContact CB-CD1 3.75Å; H18-F63 HydrophobicContact CB-CE1 4.04Å; H18-F63 WeakPolarHBondContact O-CA 3.28Å; V20-F63 HydrophobicContact CG2-CB 4.08Å; V20-F63 HydrophobicContact CG2-CD1 3.6Å; V20-F63 HydrophobicContact CG2-CE1 4.5Å; V20-F63 HydrophobicContact CG2-CG 4.26Å; E55-F63 WeakPolarHBondContact CA-O 3.45Å; I56-F63 HydrophobicContact CB-CB 4.46Å; I56-F63 PolarHBondContact N-O 2.92Å; I56-F63 PolarHBondContact O-N 2.84Å; V58-F63 HydrophobicContact CB-CD2 4.45Å; V58-F63 HydrophobicContact CB-CE2 4.04Å; V58-F63 HydrophobicContact CG2-CD2 4.05Å; V58-F63 HydrophobicContact CG2-CE2 4Å; T61-F63 HydrophobicContact CG2-CD2 4.09Å; T61-F63 HydrophobicContact CG2-CE1 4.11Å; T61-F63 HydrophobicContact CG2-CE2 3.54Å; T61-F63 HydrophobicContact CG2-CZ 3.56Å; F63-M65 HydrophobicContact CB-CE 3.71Å; F63-M65 HydrophobicContact CB-CG 4.06Å; F63-M65 HydrophobicContact CD2-CE 4.4Å; F63-M65 HydrophobicContact CG-CE 4.08Å; F63-F87 HydrophobicContact CE1-CD2 4.34Å; F63-F87 HydrophobicContact CE1-CE2 4.2Å; F63-M173 HydrophobicContact CD1-CE 4.13Å; F63-M173 HydrophobicContact CE1-CE 3.91Å; F63-M173 HydrophobicContact CZ-CB 4.45Å; F63-I177 HydrophobicContact CE1-CD1 4.09Å; F63-I177 HydrophobicContact CZ-CD1 3.9Å
64L95.6Very high90.9Very high49 Ų4951.3 Ų51.326%0.25726%0.26SS..EExtended strand (participates in β ladder)trans-92.9100.7171-169.667.3000108.5H18 V20 V53H18-L64 PolarHBondContact O-N 2.73Å; V20-L64 PolarHBondContact N-O 3.06Å; V53-L64 HydrophobicContact CG1-CD1 3.48Å; V53-L64 VanDerWaalsContact CG1-CD1 3.48Å; V53-L64 HydrophobicContact CG1-CD2 4.45Å; V53-L64 HydrophobicContact CG1-CG 3.76Å
65M96.8Very high90.9Very high0 Ų049.8 Ų49.80%025%0.252CS..EExtended strand (participates in β ladder)trans-99.4119.1-170.6-60.6-162.9177.900111.7V20 I22 L34 F37 V53 E54 I56 F63 L170V20-M65 HydrophobicContact CB-CG 4.03Å; V20-M65 HydrophobicContact CG1-CG 4.46Å; V20-M65 HydrophobicContact CG2-CG 4.3Å; V20-M65 WeakPolarHBondContact O-CA 3.38Å; I22-M65 HydrophobicContact CD1-CB 4.15Å; I22-M65 HydrophobicContact CD1-SD 4.07Å; L34-M65 HydrophobicContact CD1-CB 3.71Å; L34-M65 HydrophobicContact CD1-CG 4.41Å; L34-M65 HydrophobicContact CD1-SD 4.04Å; F37-M65 HydrophobicContact CD2-CE 4.17Å; F37-M65 HydrophobicContact CD2-SD 3.93Å; F37-M65 HydrophobicContact CE2-CE 4.32Å; F37-M65 HydrophobicContact CE2-SD 4.29Å; V53-M65 WeakPolarHBondContact CA-O 3.12Å; E54-M65 PolarHBondContact N-O 2.84Å; E54-M65 VanDerWaalsContact N-O 3.11Å; E54-M65 PolarHBondContact O-N 2.8Å; I56-M65 HydrophobicContact CB-CE 3.97Å; I56-M65 HydrophobicContact CB-SD 4.28Å; I56-M65 HydrophobicContact CG1-CE 4.04Å; I56-M65 HydrophobicContact CG1-CG 4.07Å; I56-M65 HydrophobicContact CG1-SD 3.68Å; I56-M65 HydrophobicContact CG2-CE 4.24Å; F63-M65 HydrophobicContact CB-CE 3.71Å; F63-M65 HydrophobicContact CB-CG 4.06Å; F63-M65 HydrophobicContact CD2-CE 4.4Å; F63-M65 HydrophobicContact CG-CE 4.08Å; M65-L170 HydrophobicContact CE-CD2 3.94Å
66W97Very high90.8Very high68 Ų6850 Ų5026%0.25827%0.265SS..EExtended strand (participates in β ladder)trans-97.2103.7176-63.672.6000109.6V20 I21 I22 N52 V53 I68 Y81V20-W66 PolarHBondContact O-N 2.75Å; I21-W66 HydrophobicContact CG2-CB 4.39Å; I22-W66 PolarHBondContact N-O 3.17Å; N52-W66 CarbonylContact O-C 3.49Å; N52-W66 WeakPolarHBondContact O-CA 3.46Å; V53-W66 HydrophobicContact CB-CD2 4.44Å; V53-W66 HydrophobicContact CG1-CD2 4.25Å; V53-W66 HydrophobicContact CG1-CZ2 4.31Å; V53-W66 HydrophobicContact CG2-CD2 3.36Å; V53-W66 HydrophobicContact CG2-CE3 3.12Å; V53-W66 HydrophobicContact CG2-CG 4.08Å; V53-W66 HydrophobicContact CG2-CH2 3.68Å; V53-W66 HydrophobicContact CG2-CZ2 3.88Å; V53-W66 HydrophobicContact CG2-CZ3 3.3Å; W66-I68 HydrophobicContact CB-CG1 4.47Å; W66-Y81 HydrophobicContact CD2-CD1 4.01Å; W66-Y81 HydrophobicContact CD2-CE1 4.4Å; W66-Y81 AromaticContact CE3-CD1 3.42Å; W66-Y81 HydrophobicContact CE3-CD1 3.42Å; W66-Y81 VanDerWaalsContact CE3-CD1 3.42Å; W66-Y81 AromaticContact CE3-CE1 3.39Å; W66-Y81 HydrophobicContact CE3-CE1 3.39Å; W66-Y81 HydrophobicContact CG-CD1 4.48Å; W66-Y81 AromaticContact CZ3-CD1 3.99Å; W66-Y81 HydrophobicContact CZ3-CD1 3.99Å; W66-Y81 AromaticContact CZ3-CE1 3.72Å; W66-Y81 HydrophobicContact CZ3-CE1 3.72Å
67D95.4Very high90.9Very high0 Ų051.7 Ų51.70%028%0.277CS..EExtended strand (participates in β ladder)trans-80.1117.3169.2173.441.7000109.8K30 T31 L34 T48 S51 N52K30-D67 WeakPolarHBondContact CB-OD1 3.24Å; T31-D67 WeakPolarHBondContact CB-OD2 3.44Å; T31-D67 PolarHBondContact OG1-OD2 2.85Å; L34-D67 HydrophobicContact CD2-CB 3.73Å; T48-D67 PolarHBondContact OG1-OD2 3.29Å; T48-D67 VanDerWaalsContact OG1-OD2 3.08Å; S51-D67 CarbonylContact C-O 3.57Å; S51-D67 WeakPolarHBondContact CA-O 3.37Å; N52-D67 PolarHBondContact N-O 2.81Å; N52-D67 PolarHBondContact O-N 2.83Å
68I95.1Very high91.3Very high1 Ų147.9 Ų47.91%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-109.9137.7-172.2-54.2165.9000109.9I21 I22 V23 K30 W66 G70 W78 Y81I21-I68 HydrophobicContact CB-CD1 3.98Å; I21-I68 HydrophobicContact CG2-CD1 4.18Å; I22-I68 PolarHBondContact O-N 3.18Å; I22-I68 VanDerWaalsContact O-N 3.12Å; V23-I68 HydrophobicContact CG1-CB 4.49Å; V23-I68 HydrophobicContact CG1-CD1 3.88Å; K30-I68 WeakPolarHBondContact CE-O 3.48Å; W66-I68 HydrophobicContact CB-CG1 4.47Å; I68-G70 PolarHBondContact O-N 3.45Å; I68-W78 HydrophobicContact CG2-CG 4.26Å; I68-Y81 HydrophobicContact CD1-CD1 4.36Å; I68-Y81 HydrophobicContact CD1-CD2 3.54Å; I68-Y81 HydrophobicContact CD1-CE2 4.26Å; I68-Y81 HydrophobicContact CD1-CG 3.6Å; I68-Y81 HydrophobicContact CG1-CD2 3.99Å; I68-Y81 HydrophobicContact CG1-CE2 4.23Å; I68-Y81 HydrophobicContact CG1-CG 4.16Å; I68-Y81 HydrophobicContact CG2-CD2 4.24Å; I68-Y81 HydrophobicContact CG2-CE2 4.02Å
69G91.7Very high91.9Very high0 Ų050.5 Ų50.50%027%0.267CS..  trans-53127.917700000112.9G50 W78G50-G69 PolarHBondContact O-N 2.96Å; G69-W78 PolarHBondContact O-NE1 3.02Å
70G92.6Very high92.6Very high3 Ų348.1 Ų48.13%0.03127%0.265CS..  trans-97.5-1.3-175.500000115.6G24 D26 I68 R75G24-G70 WeakPolarHBondContact O-CA 3.24Å; D26-G70 PolarHBondContact N-O 3.25Å; D26-G70 VanDerWaalsContact N-O 3.1Å; I68-G70 PolarHBondContact O-N 3.45Å; G70-R75 PolarHBondContact O-NE 2.85Å; G70-R75 PolarHBondContact O-NH2 2.67Å; G70-R75 VanDerWaalsContact O-NH2 3.14Å
71Q92.4Very high93.3Very high65 Ų6543.7 Ų43.730%0.30424%0.239SC..SBendtrans-63.4145.2178.4-60179.541.500109.5D26 S73 L74 R75D26-Q71 HydrophobicContact CB-CG 4.09Å; Q71-S73 VanDerWaalsContact C-N 3.27Å; Q71-S73 PolarHBondContact O-N 3.24Å; Q71-L74 HydrophobicContact CB-CD1 4.21Å; Q71-L74 HydrophobicContact CB-CG 4.3Å; Q71-L74 HydrophobicContact CG-CD1 4.48Å; Q71-L74 WeakPolarHBondContact O-CA 3.09Å; Q71-L74 WeakPolarHBondContact O-CB 3.37Å; Q71-L74 PolarHBondContact O-N 3.2Å; Q71-R75 WeakPolarHBondContact O-CG 3.39Å; Q71-R75 PolarHBondContact O-N 3.49Å
72E91.8Very high93.9Very high158 Ų15843.1 Ų43.174%0.73823%0.234SC*.Hα-helixtrans-50.2-45.8-176-175.2176.6178.400113.2L74 R75E72-L74 PolarHBondContact O-N 3.27Å; E72-L74 VanDerWaalsContact O-N 3.13Å; E72-R75 PolarHBondContact O-N 3.38Å
73S90.8Very high94.1Very high90 Ų9043.4 Ų43.463%0.62924%0.242SC*.Hα-helixtrans-64-15.6178.656.30000114.8Q71Q71-S73 VanDerWaalsContact C-N 3.27Å; Q71-S73 PolarHBondContact O-N 3.24Å
74L89.6Confident94.1Very high37 Ų3749.8 Ų49.819%0.19428%0.275CS..Hα-helixtrans-103.3-14.2-178.7-59.6179000112.8Q71 E72 S76 S77Q71-L74 HydrophobicContact CB-CD1 4.21Å; Q71-L74 HydrophobicContact CB-CG 4.3Å; Q71-L74 HydrophobicContact CG-CD1 4.48Å; Q71-L74 WeakPolarHBondContact O-CA 3.09Å; Q71-L74 WeakPolarHBondContact O-CB 3.37Å; Q71-L74 PolarHBondContact O-N 3.2Å; E72-L74 PolarHBondContact O-N 3.27Å; E72-L74 VanDerWaalsContact O-N 3.13Å; L74-S76 VanDerWaalsContact C-N 3.26Å; L74-S76 PolarHBondContact O-N 3.19Å; L74-S77 PolarHBondContact O-N 3.07Å; L74-S77 VanDerWaalsContact O-N 3.14Å; L74-S77 PolarHBondContact O-OG 3.22Å
75R92.7Very high94.2Very high21 Ų2147.8 Ų47.88%0.07927%0.266CS..Hα-helixtrans-65.5-29.9-174.6-61.3-176.6-163.2136.46.3113.1L25 D26 G70 Q71 E72 S77 W78L25-R75 VanDerWaalsContact CD2-CZ 3.48Å; D26-R75 IonicContact OD1-NH2 3.74Å; D26-R75 PolarHBondContact OD1-NH2 3.46Å; G70-R75 PolarHBondContact O-NE 2.85Å; G70-R75 PolarHBondContact O-NH2 2.67Å; G70-R75 VanDerWaalsContact O-NH2 3.14Å; Q71-R75 WeakPolarHBondContact O-CG 3.39Å; Q71-R75 PolarHBondContact O-N 3.49Å; E72-R75 PolarHBondContact O-N 3.38Å; R75-S77 PolarHBondContact O-N 2.91Å; R75-W78 HydrophobicContact CB-CZ2 4.44Å; R75-W78 HydrophobicContact CG-CH2 4.39Å; R75-W78 HydrophobicContact CG-CZ2 3.82Å; R75-W78 WeakPolarHBondContact O-CB 3.41Å; R75-W78 PolarHBondContact O-N 2.85Å
76S91.1Very high94.2Very high100 Ų10051.4 Ų51.470%0.69928%0.282SS*.THydrogen-bonded Turntrans-64.9-16.9177.360.30000114L74 N79L74-S76 VanDerWaalsContact C-N 3.26Å; L74-S76 PolarHBondContact O-N 3.19Å; S76-N79 PolarHBondContact O-OD1 2.76Å
77S92Very high94.3Very high42 Ų4248.4 Ų48.429%0.29427%0.271SS..THydrogen-bonded Turntrans-96.3-2.2178.669.60000113.9L74 R75 N79 T80L74-S77 PolarHBondContact O-N 3.07Å; L74-S77 VanDerWaalsContact O-N 3.14Å; L74-S77 PolarHBondContact O-OG 3.22Å; R75-S77 PolarHBondContact O-N 2.91Å; S77-N79 PolarHBondContact O-N 2.9Å; S77-N79 VanDerWaalsContact O-N 3.16Å; S77-T80 WeakPolarHBondContact O-CB 3.42Å; S77-T80 WeakPolarHBondContact O-CG2 3.37Å; S77-T80 PolarHBondContact O-N 2.92Å; S77-T80 PolarHBondContact O-OG1 3.17Å
78W96.1Very high94.5Very high1 Ų148.4 Ų48.40%0.00427%0.271CS..G310 helixtrans-55.9-34.8179.2-71.96.3000112.5V23 I68 G69 R75 T80 Y81 Y82 E106 M110V23-W78 HydrophobicContact CB-CD2 4.46Å; V23-W78 HydrophobicContact CB-CE3 4.19Å; V23-W78 HydrophobicContact CB-CH2 4.13Å; V23-W78 HydrophobicContact CB-CZ2 4.38Å; V23-W78 HydrophobicContact CB-CZ3 4.01Å; V23-W78 HydrophobicContact CG1-CD2 4.17Å; V23-W78 HydrophobicContact CG1-CE3 4.19Å; I68-W78 HydrophobicContact CG2-CG 4.26Å; G69-W78 PolarHBondContact O-NE1 3.02Å; R75-W78 HydrophobicContact CB-CZ2 4.44Å; R75-W78 HydrophobicContact CG-CH2 4.39Å; R75-W78 HydrophobicContact CG-CZ2 3.82Å; R75-W78 WeakPolarHBondContact O-CB 3.41Å; R75-W78 PolarHBondContact O-N 2.85Å; W78-T80 PolarHBondContact O-N 3.26Å; W78-T80 VanDerWaalsContact O-N 3.14Å; W78-Y81 PolarHBondContact O-N 3.06Å; W78-Y82 VanDerWaalsContact C-CE1 3.42Å; W78-Y82 HydrophobicContact CB-CE1 3.99Å; W78-Y82 WeakPolarHBondContact CB-OH 3.4Å; W78-Y82 VanDerWaalsContact O-CD1 3.28Å; W78-Y82 WeakPolarHBondContact O-CD1 3.2Å; W78-Y82 WeakPolarHBondContact O-CE1 3.34Å; W78-E106 HydrophobicContact CH2-CB 4.4Å; W78-E106 HydrophobicContact CH2-CG 4.47Å; W78-E106 HydrophobicContact CZ3-CB 3.89Å; W78-E106 HydrophobicContact CZ3-CG 4.28Å; W78-M110 HydrophobicContact CE3-CG 4.28Å; W78-M110 HydrophobicContact CE3-SD 3.63Å; W78-M110 HydrophobicContact CZ3-CE 4.14Å; W78-M110 HydrophobicContact CZ3-SD 3.84Å
79N95.9Very high94.6Very high77 Ų7748.4 Ų48.441%0.41227%0.271SS..G310 helixtrans-61-23.2179.569.2-31.2000114.4S76 S77 Y81 Y82S76-N79 PolarHBondContact O-OD1 2.76Å; S77-N79 PolarHBondContact O-N 2.9Å; S77-N79 VanDerWaalsContact O-N 3.16Å; N79-Y81 PolarHBondContact O-N 3Å; N79-Y81 VanDerWaalsContact O-N 3.14Å; N79-Y82 VanDerWaalsContact CA-CE2 3.42Å; N79-Y82 HydrophobicContact CB-CD2 3.9Å; N79-Y82 HydrophobicContact CB-CE2 3.64Å; N79-Y82 PolarHBondContact O-N 2.86Å
80T96.1Very high95Very high97 Ų9748.4 Ų48.460%0.59527%0.271SS*.G310 helixtrans-63.8-17.1175.167.20000113S77 W78S77-T80 WeakPolarHBondContact O-CB 3.42Å; S77-T80 WeakPolarHBondContact O-CG2 3.37Å; S77-T80 PolarHBondContact O-N 2.92Å; S77-T80 PolarHBondContact O-OG1 3.17Å; W78-T80 PolarHBondContact O-N 3.26Å; W78-T80 VanDerWaalsContact O-N 3.14Å
81Y97.1Very high95.3Very high36 Ų3648.3 Ų48.314%0.14127%0.27CS..G310 helixtrans-101.9-6.9-179-57.3-86.2000113.7K19 S51 W66 I68 W78 N79 S83 T85K19-Y81 WeakPolarHBondContact CE-O 3.23Å; K19-Y81 PolarHBondContact NZ-O 3.13Å; S51-Y81 WeakPolarHBondContact CB-OH 3.31Å; S51-Y81 WeakPolarHBondContact OG-CE1 3.3Å; S51-Y81 PolarHBondContact OG-OH 3.18Å; W66-Y81 HydrophobicContact CD2-CD1 4.01Å; W66-Y81 HydrophobicContact CD2-CE1 4.4Å; W66-Y81 AromaticContact CE3-CD1 3.42Å; W66-Y81 HydrophobicContact CE3-CD1 3.42Å; W66-Y81 VanDerWaalsContact CE3-CD1 3.42Å; W66-Y81 AromaticContact CE3-CE1 3.39Å; W66-Y81 HydrophobicContact CE3-CE1 3.39Å; W66-Y81 HydrophobicContact CG-CD1 4.48Å; W66-Y81 AromaticContact CZ3-CD1 3.99Å; W66-Y81 HydrophobicContact CZ3-CD1 3.99Å; W66-Y81 AromaticContact CZ3-CE1 3.72Å; W66-Y81 HydrophobicContact CZ3-CE1 3.72Å; I68-Y81 HydrophobicContact CD1-CD1 4.36Å; I68-Y81 HydrophobicContact CD1-CD2 3.54Å; I68-Y81 HydrophobicContact CD1-CE2 4.26Å; I68-Y81 HydrophobicContact CD1-CG 3.6Å; I68-Y81 HydrophobicContact CG1-CD2 3.99Å; I68-Y81 HydrophobicContact CG1-CE2 4.23Å; I68-Y81 HydrophobicContact CG1-CG 4.16Å; I68-Y81 HydrophobicContact CG2-CD2 4.24Å; I68-Y81 HydrophobicContact CG2-CE2 4.02Å; W78-Y81 PolarHBondContact O-N 3.06Å; N79-Y81 PolarHBondContact O-N 3Å; N79-Y81 VanDerWaalsContact O-N 3.14Å; Y81-S83 PolarHBondContact O-N 3.06Å; Y81-T85 PolarHBondContact O-OG1 3.31Å
82Y97.7Very high95.6Very high11 Ų1145.2 Ų45.24%0.04326%0.256CS..  trans-70.1-35.9-169.1-67.1-7.6000114.4I21 W78 N79 N84 T85 M110 H113 L116I21-Y82 HydrophobicContact CD1-CD1 3.78Å; I21-Y82 HydrophobicContact CD1-CE1 3.93Å; W78-Y82 VanDerWaalsContact C-CE1 3.42Å; W78-Y82 HydrophobicContact CB-CE1 3.99Å; W78-Y82 WeakPolarHBondContact CB-OH 3.4Å; W78-Y82 VanDerWaalsContact O-CD1 3.28Å; W78-Y82 WeakPolarHBondContact O-CD1 3.2Å; W78-Y82 WeakPolarHBondContact O-CE1 3.34Å; N79-Y82 VanDerWaalsContact CA-CE2 3.42Å; N79-Y82 HydrophobicContact CB-CD2 3.9Å; N79-Y82 HydrophobicContact CB-CE2 3.64Å; N79-Y82 PolarHBondContact O-N 2.86Å; Y82-N84 PolarHBondContact O-N 3.12Å; Y82-T85 WeakPolarHBondContact O-CB 3.34Å; Y82-T85 PolarHBondContact O-N 2.96Å; Y82-T85 PolarHBondContact O-OG1 2.95Å; Y82-M110 HydrophobicContact CE1-CG 4.36Å; Y82-M110 HydrophobicContact CE1-SD 4.46Å; Y82-M110 VanDerWaalsContact OH-CG 3.32Å; Y82-M110 WeakPolarHBondContact OH-CG 3.27Å; Y82-H113 HydrophobicContact CD2-CB 3.83Å; Y82-H113 AromaticContact CD2-CD2 3.81Å; Y82-H113 AromaticContact CD2-CE1 3.99Å; Y82-H113 AromaticContact CD2-CG 3.49Å; Y82-H113 VanDerWaalsContact CD2-CG 3.49Å; Y82-H113 AromaticContact CD2-ND1 3.62Å; Y82-H113 HydrophobicContact CE2-CB 3.93Å; Y82-H113 AromaticContact CE2-CD2 3.93Å; Y82-H113 AromaticContact CE2-CG 3.85Å; Y82-L116 HydrophobicContact CD1-CD1 3.68Å; Y82-L116 HydrophobicContact CD1-CD2 4.11Å; Y82-L116 HydrophobicContact CD1-CG 4.11Å; Y82-L116 HydrophobicContact CD2-CD1 3.67Å; Y82-L116 HydrophobicContact CD2-CG 3.94Å; Y82-L116 HydrophobicContact CE1-CD1 3.87Å; Y82-L116 HydrophobicContact CE2-CD1 3.85Å; Y82-L116 HydrophobicContact CG-CD1 3.61Å; Y82-L116 HydrophobicContact CG-CD2 3.99Å; Y82-L116 HydrophobicContact CG-CG 3.69Å
83S95.8Very high95.9Very high56 Ų5638.3 Ų38.339%0.39222%0.224SC..THydrogen-bonded Turntrans-52.1128.5-177.3-171.20000112.1K19 Y81 T85K19-S83 PolarHBondContact NZ-O 3.17Å; Y81-S83 PolarHBondContact O-N 3.06Å; S83-T85 PolarHBondContact O-N 3.32Å
84N93.6Very high96.3Very high133 Ų13334 Ų3471%0.71119%0.194SC*.THydrogen-bonded Turntrans60.717-177.1-53-51.8000115.8K19 Y82 E86K19-N84 WeakPolarHBondContact CB-O 3.42Å; Y82-N84 PolarHBondContact O-N 3.12Å; N84-E86 PolarHBondContact O-N 2.83Å
85T97.2Very high96.7Very high8 Ų835.3 Ų35.35%0.04920%0.2CC..  trans-71.8125.7174.5-65.50000110.4I21 Y81 Y82 S83 F87 I88 L116I21-T85 HydrophobicContact CB-CG2 4.46Å; I21-T85 HydrophobicContact CD1-CG2 4.13Å; I21-T85 HydrophobicContact CG1-CG2 3.9Å; I21-T85 HydrophobicContact CG2-CG2 4.06Å; Y81-T85 PolarHBondContact O-OG1 3.31Å; Y82-T85 WeakPolarHBondContact O-CB 3.34Å; Y82-T85 PolarHBondContact O-N 2.96Å; Y82-T85 PolarHBondContact O-OG1 2.95Å; S83-T85 PolarHBondContact O-N 3.32Å; T85-F87 WeakPolarHBondContact CG2-O 3.42Å; T85-I88 HydrophobicContact CG2-CG1 4.25Å; T85-L116 HydrophobicContact CG2-CD2 3.91Å
86E97.3Very high96.9Very high75 Ų7535.8 Ų35.835%0.3520%0.204SC..  trans-95.3-30.7176.9-68.5179.5-111.300112.1H18 K19 N84 A119 A120H18-E86 WeakPolarHBondContact CA-OE1 3.33Å; H18-E86 IonicContact CE1-OE2 2.79Å; H18-E86 IonicContact CG-OE1 2.7Å; H18-E86 IonicContact CG-OE2 3.89Å; H18-E86 VanDerWaalsContact ND1-CD 3.33Å; H18-E86 IonicContact ND1-OE1 2.81Å; H18-E86 PolarHBondContact ND1-OE1 3.48Å; H18-E86 IonicContact ND1-OE2 3.58Å; H18-E86 PolarHBondContact ND1-OE2 3.44Å; K19-E86 PolarHBondContact O-N 3.47Å; N84-E86 PolarHBondContact O-N 2.83Å; E86-A119 CarbonylContact O-C 3.53Å; E86-A119 VanDerWaalsContact O-CA 3.24Å; E86-A119 WeakPolarHBondContact O-CA 3.28Å; E86-A120 PolarHBondContact O-N 2.93Å
87F98.4Very high97.3Very high6 Ų636.6 Ų36.63%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-134.3137.2-178.8-61.7-85.6000112H18 K19 V20 I21 F63 T85 A120 M173 R176 I177H18-F87 HydrophobicContact CB-CE2 4.41Å; K19-F87 PolarHBondContact O-N 2.89Å; V20-F87 WeakPolarHBondContact CA-O 3.34Å; V20-F87 HydrophobicContact CB-CB 4.45Å; V20-F87 HydrophobicContact CG1-CB 4.08Å; V20-F87 HydrophobicContact CG2-CB 4.11Å; V20-F87 HydrophobicContact CG2-CD2 4.37Å; I21-F87 PolarHBondContact N-O 3.05Å; F63-F87 HydrophobicContact CE1-CD2 4.34Å; F63-F87 HydrophobicContact CE1-CE2 4.2Å; T85-F87 WeakPolarHBondContact CG2-O 3.42Å; F87-A120 CarbonylContact C-O 3.56Å; F87-A120 WeakPolarHBondContact CA-O 3.26Å; F87-A120 HydrophobicContact CD1-CB 3.82Å; F87-A120 HydrophobicContact CE1-CB 3.93Å; F87-M173 HydrophobicContact CB-CE 3.59Å; F87-M173 HydrophobicContact CD1-CB 4.21Å; F87-M173 HydrophobicContact CD1-CE 4Å; F87-M173 HydrophobicContact CD1-CG 4.01Å; F87-M173 HydrophobicContact CD2-CE 4.05Å; F87-M173 HydrophobicContact CE1-CB 4.06Å; F87-M173 HydrophobicContact CE1-CG 4.31Å; F87-M173 HydrophobicContact CG-CE 3.62Å; F87-M173 WeakPolarHBondContact CZ-O 3.33Å; F87-R176 HydrophobicContact CE1-CB 3.81Å; F87-R176 HydrophobicContact CE1-CG 4.39Å; F87-R176 HydrophobicContact CZ-CB 4.05Å; F87-I177 HydrophobicContact CE2-CG1 4.16Å; F87-I177 HydrophobicContact CZ-CG1 3.98Å
88I98.7Very high97.5Very high0 Ų043.1 Ų43.10%022%0.218CC..EExtended strand (participates in β ladder)trans-108.3120169.5-54.1172.3000106.9I21 V23 T85 M110 L111 L116 A119 A120 V121 L122I21-I88 HydrophobicContact CD1-CG1 4.1Å; I21-I88 HydrophobicContact CD1-CG2 4.4Å; I21-I88 HydrophobicContact CG1-CB 4.32Å; I21-I88 HydrophobicContact CG1-CG1 4.1Å; I21-I88 HydrophobicContact CG1-CG2 4.15Å; V23-I88 HydrophobicContact CG2-CG2 3.63Å; T85-I88 HydrophobicContact CG2-CG1 4.25Å; I88-M110 HydrophobicContact CG2-CE 4.43Å; I88-L111 HydrophobicContact CD1-CD2 4.12Å; I88-L116 HydrophobicContact CD1-CB 4.4Å; I88-L116 HydrophobicContact CD1-CD1 3.76Å; I88-L116 HydrophobicContact CD1-CD2 4.02Å; I88-L116 HydrophobicContact CD1-CG 4.27Å; I88-L116 HydrophobicContact CG1-CD2 4.27Å; I88-A119 HydrophobicContact CD1-CB 4.1Å; I88-A119 HydrophobicContact CG1-CB 4.01Å; I88-A120 PolarHBondContact N-O 3.05Å; I88-V121 HydrophobicContact CB-CG1 4.49Å; I88-V121 HydrophobicContact CD1-CG2 4.45Å; I88-V121 CarbonylContact O-C 3.51Å; I88-V121 WeakPolarHBondContact O-CA 3.33Å; I88-L122 PolarHBondContact O-N 3.49Å
89I98.8Very high97.6Very high0 Ų046.1 Ų46.10%023%0.229CC..EExtended strand (participates in β ladder)trans-96.4104.6165.3-60.8-179.3000107.4V20 I21 I22 V23 F37 V91 L122 F124 M173V20-I89 HydrophobicContact CG1-CD1 3.75Å; V20-I89 HydrophobicContact CG1-CG1 3.72Å; I21-I89 PolarHBondContact O-N 3.19Å; I22-I89 WeakPolarHBondContact CA-O 3.28Å; I22-I89 HydrophobicContact CG1-CB 4.26Å; I22-I89 HydrophobicContact CG1-CD1 4.32Å; I22-I89 HydrophobicContact CG2-CB 4.32Å; I22-I89 HydrophobicContact CG2-CG2 4.18Å; V23-I89 PolarHBondContact N-O 3.07Å; F37-I89 HydrophobicContact CE2-CD1 4.48Å; I89-V91 HydrophobicContact CG2-CG2 3.98Å; I89-L122 CarbonylContact C-O 3.53Å; I89-L122 VanDerWaalsContact CA-O 3.32Å; I89-L122 WeakPolarHBondContact CA-O 3.49Å; I89-L122 HydrophobicContact CG1-CB 4.38Å; I89-L122 HydrophobicContact CG1-CD2 4.33Å; I89-F124 HydrophobicContact CG2-CD2 3.55Å; I89-F124 HydrophobicContact CG2-CE2 3.95Å; I89-M173 HydrophobicContact CD1-CE 4.21Å; I89-M173 HydrophobicContact CD1-SD 3.76Å; I89-M173 HydrophobicContact CG1-CE 4.38Å; I89-M173 HydrophobicContact CG1-SD 3.9Å
90L98.9Very high97.7Very high1 Ų142.5 Ų42.51%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-89.2112.7170.6178.667.5000109.5V23 V92 T103 L107 M110 L122 I123 F124 L143V23-L90 HydrophobicContact CG2-CD1 4.27Å; V23-L90 WeakPolarHBondContact O-CA 3.39Å; L90-V92 HydrophobicContact CD2-CG2 4.16Å; L90-V92 HydrophobicContact CG-CG2 4.07Å; L90-T103 HydrophobicContact CD1-CG2 4.27Å; L90-T103 HydrophobicContact CD2-CG2 4.03Å; L90-T103 HydrophobicContact CG-CG2 4.46Å; L90-L107 HydrophobicContact CD2-CB 4.15Å; L90-L107 HydrophobicContact CD2-CD1 4.11Å; L90-L107 HydrophobicContact CD2-CD2 4.04Å; L90-L107 HydrophobicContact CD2-CG 4.32Å; L90-M110 HydrophobicContact CD1-CE 4.38Å; L90-L122 PolarHBondContact N-O 3.41Å; L90-I123 HydrophobicContact CB-CG1 4.38Å; L90-I123 HydrophobicContact CD2-CG1 4.33Å; L90-I123 HydrophobicContact CD2-CG2 4.48Å; L90-I123 CarbonylContact O-C 3.58Å; L90-I123 WeakPolarHBondContact O-CA 3.49Å; L90-F124 PolarHBondContact O-N 2.96Å; L90-L143 HydrophobicContact CD2-CD1 4.46Å
91V98.9Very high97.8Very high0 Ų040.2 Ų40.20%020%0.2CC..EExtended strand (participates in β ladder)trans-94.1121.9175.7-170.10000109.6I22 V23 A28 K30 I33 I89 N126I22-V91 HydrophobicContact CG2-CG2 3.78Å; V23-V91 PolarHBondContact O-N 3.39Å; A28-V91 HydrophobicContact CB-CB 4.32Å; A28-V91 HydrophobicContact CB-CG1 4.07Å; A28-V91 WeakPolarHBondContact CB-O 3.18Å; A28-V91 VanDerWaalsContact O-CG1 3.26Å; A28-V91 WeakPolarHBondContact O-CG1 3.48Å; K30-V91 HydrophobicContact CB-CG2 4.41Å; K30-V91 HydrophobicContact CG-CB 3.82Å; K30-V91 HydrophobicContact CG-CG2 3.82Å; I33-V91 HydrophobicContact CD1-CB 4.48Å; I33-V91 HydrophobicContact CD1-CG1 3.73Å; I33-V91 HydrophobicContact CD1-CG2 3.87Å; I89-V91 HydrophobicContact CG2-CG2 3.98Å; V91-N126 HydrophobicContact CG1-CB 3.88Å
92V98.8Very high97.9Very high1 Ų141.2 Ų41.21%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-111127.7-179.5-1750000109.1L90 S94 L100 T103 I123 F124 N126 I139 L143L90-V92 HydrophobicContact CD2-CG2 4.16Å; L90-V92 HydrophobicContact CG-CG2 4.07Å; V92-S94 PolarHBondContact O-N 3.06Å; V92-L100 HydrophobicContact CG1-CD1 3.55Å; V92-T103 HydrophobicContact CG2-CG2 3.93Å; V92-I123 HydrophobicContact CG2-CG2 3.74Å; V92-F124 PolarHBondContact N-O 3.23Å; V92-N126 WeakPolarHBondContact O-CB 3.46Å; V92-N126 PolarHBondContact O-N 3.16Å; V92-I139 HydrophobicContact CG1-CD1 4.23Å; V92-I139 HydrophobicContact CG1-CG2 4.13Å; V92-I139 HydrophobicContact CG2-CG2 4.47Å; V92-L143 HydrophobicContact CG2-CD1 4.28Å
93D98.6Very high97.9Very high13 Ų1341.1 Ų41.17%0.0721%0.208CC..EExtended strand (participates in β ladder)trans-73.9109169.7-169.3-18.3000109.7A28 I95 D96 K127A28-D93 HydrophobicContact CB-CB 4.37Å; D93-I95 PolarHBondContact O-N 3.19Å; D93-I95 WeakPolarHBondContact OD1-CG1 3.47Å; D93-I95 PolarHBondContact OD1-N 3.3Å; D93-I95 VanDerWaalsContact OD1-N 3.13Å; D93-D96 HydrophobicContact CB-CB 3.81Å; D93-D96 PolarHBondContact O-N 3.1Å; D93-K127 WeakPolarHBondContact OD1-CD 3.32Å; D93-K127 IonicContact OD1-NZ 2.65Å; D93-K127 WeakPolarHBondContact OD2-CE 3.33Å; D93-K127 IonicContact OD2-NZ 3.06Å; D93-K127 PolarHBondContact OD2-NZ 3.26Å
94S98.8Very high98Very high0 Ų041.2 Ų41.20%020%0.202CC..THydrogen-bonded Turntrans-71.4-15-174.6-54.40000113.8V92 A125 N126 Q128 C133 M134 I139V92-S94 PolarHBondContact O-N 3.06Å; S94-A125 VanDerWaalsContact OG-C 3.23Å; S94-N126 WeakPolarHBondContact CB-O 3.19Å; S94-N126 PolarHBondContact N-O 2.76Å; S94-N126 PolarHBondContact OG-N 2.76Å; S94-N126 PolarHBondContact OG-O 3.32Å; S94-Q128 PolarHBondContact OG-NE2 2.63Å; S94-C133 CarbonylContact O-C 3.55Å; S94-C133 WeakPolarHBondContact O-CA 3.26Å; S94-M134 WeakPolarHBondContact O-CB 3.43Å; S94-M134 VanDerWaalsContact O-CE 3.25Å; S94-M134 WeakPolarHBondContact O-CE 3.16Å; S94-M134 PolarHBondContact O-N 2.85Å; S94-I139 WeakPolarHBondContact OG-CD1 3.49Å
95I98.2Very high98.3Very high63 Ų6340.3 Ų40.332%0.32319%0.193SC..THydrogen-bonded Turntrans-87.3-17.6174.452167.4000112.5D93 R97 K127 M130 C133D93-I95 PolarHBondContact O-N 3.19Å; D93-I95 WeakPolarHBondContact OD1-CG1 3.47Å; D93-I95 PolarHBondContact OD1-N 3.3Å; D93-I95 VanDerWaalsContact OD1-N 3.13Å; I95-R97 PolarHBondContact O-N 3.35Å; I95-R97 VanDerWaalsContact O-N 3.15Å; I95-K127 HydrophobicContact CD1-CD 4.42Å; I95-K127 HydrophobicContact CG1-CD 4.4Å; I95-M130 HydrophobicContact CD1-CE 4.23Å; I95-M130 HydrophobicContact CG2-CB 3.49Å; I95-M130 VanDerWaalsContact CG2-CB 3.49Å; I95-M130 HydrophobicContact CG2-CG 4.23Å; I95-C133 HydrophobicContact CG2-CB 3.95Å
96D97.8Very high98.3Very high31 Ų3140.5 Ų40.517%0.16619%0.194CC..  trans-92.474.2-171.5-160.6-26.2000113D93 E98 R99D93-D96 HydrophobicContact CB-CB 3.81Å; D93-D96 PolarHBondContact O-N 3.1Å; D96-E98 VanDerWaalsContact C-N 3.28Å; D96-E98 PolarHBondContact O-N 2.81Å; D96-R99 WeakPolarHBondContact OD1-CB 3.34Å; D96-R99 WeakPolarHBondContact OD1-CG 3.18Å; D96-R99 PolarHBondContact OD1-N 2.81Å; D96-R99 VanDerWaalsContact OD1-N 3.08Å; D96-R99 IonicContact OD1-NE 3.34Å; D96-R99 IonicContact OD2-CZ 3.92Å; D96-R99 IonicContact OD2-NE 2.81Å; D96-R99 PolarHBondContact OD2-NE 2.9Å; D96-R99 IonicContact OD2-NH2 3.22Å; D96-R99 PolarHBondContact OD2-NH2 2.98Å
97R97.9Very high98.4Very high117 Ų11737 Ų3744%0.44218%0.177SC..  trans-64-34.8178.4-74.3174.6179.377.7-0.6112.9I95 L100 G132 M134I95-R97 PolarHBondContact O-N 3.35Å; I95-R97 VanDerWaalsContact O-N 3.15Å; R97-L100 PolarHBondContact O-N 2.88Å; R97-G132 PolarHBondContact NH1-O 3.12Å; R97-G132 PolarHBondContact NH2-O 2.86Å; R97-M134 HydrophobicContact CG-CE 3.84Å; R97-M134 HydrophobicContact CG-CG 3.85Å; R97-M134 HydrophobicContact CG-SD 3.53Å; R97-M134 VanDerWaalsContact CG-SD 3.53Å
98E97.3Very high98.4Very high180 Ų18040.1 Ų40.184%0.84119%0.189SC*.THydrogen-bonded Turntrans-67-39-173.6-64.2-175.9174.600111.3D96D96-E98 VanDerWaalsContact C-N 3.28Å; D96-E98 PolarHBondContact O-N 2.81Å
99R97.9Very high98.3Very high63 Ų6345.8 Ų45.824%0.23821%0.21CC..THydrogen-bonded Turntrans-93.12.5-178-59.2-168.8-68.5164.65.1114.2L25 D26 D96 A101 I102 T103L25-R99 HydrophobicContact CD1-CB 3.54Å; D26-R99 PolarHBondContact O-NH2 2.96Å; D26-R99 IonicContact OD1-NH1 3.64Å; D26-R99 PolarHBondContact OD1-NH1 3Å; D26-R99 IonicContact OD2-CZ 2.68Å; D26-R99 IonicContact OD2-NH1 2.69Å; D26-R99 PolarHBondContact OD2-NH1 3.02Å; D26-R99 IonicContact OD2-NH2 3.84Å; D96-R99 WeakPolarHBondContact OD1-CB 3.34Å; D96-R99 WeakPolarHBondContact OD1-CG 3.18Å; D96-R99 PolarHBondContact OD1-N 2.81Å; D96-R99 VanDerWaalsContact OD1-N 3.08Å; D96-R99 IonicContact OD1-NE 3.34Å; D96-R99 IonicContact OD2-CZ 3.92Å; D96-R99 IonicContact OD2-NE 2.81Å; D96-R99 PolarHBondContact OD2-NE 2.9Å; D96-R99 IonicContact OD2-NH2 3.22Å; D96-R99 PolarHBondContact OD2-NH2 2.98Å; R99-A101 PolarHBondContact O-N 2.94Å; R99-I102 HydrophobicContact CB-CD1 4.2Å; R99-I102 HydrophobicContact CG-CD1 4.2Å; R99-I102 WeakPolarHBondContact O-CB 3.11Å; R99-I102 PolarHBondContact O-N 2.96Å; R99-T103 PolarHBondContact O-N 3.48Å; R99-T103 VanDerWaalsContact O-N 3.14Å
100L97.9Very high98.3Very high2 Ų245.8 Ų45.81%0.0121%0.21CC..Hα-helixtrans-63.3-28.1179.2-163.864.4000113V92 R97 I102 T103 K104 M134 Y142 L143V92-L100 HydrophobicContact CG1-CD1 3.55Å; R97-L100 PolarHBondContact O-N 2.88Å; L100-I102 VanDerWaalsContact C-N 3.33Å; L100-T103 PolarHBondContact O-N 3.19Å; L100-K104 PolarHBondContact O-N 3.24Å; L100-M134 HydrophobicContact CD1-CE 4.45Å; L100-M134 HydrophobicContact CD2-CE 3.98Å; L100-M134 HydrophobicContact CD2-SD 3.68Å; L100-Y142 HydrophobicContact CB-CD1 4.12Å; L100-Y142 HydrophobicContact CB-CE1 3.88Å; L100-Y142 HydrophobicContact CD2-CD1 3.38Å; L100-Y142 HydrophobicContact CD2-CD2 3.98Å; L100-Y142 HydrophobicContact CD2-CE1 3.97Å; L100-Y142 HydrophobicContact CD2-CE2 4.49Å; L100-Y142 HydrophobicContact CD2-CG 3.38Å; L100-Y142 HydrophobicContact CG-CD1 3.47Å; L100-Y142 VanDerWaalsContact CG-CD1 3.47Å; L100-Y142 HydrophobicContact CG-CE1 3.76Å; L100-Y142 HydrophobicContact CG-CG 4.05Å; L100-L143 HydrophobicContact CD1-CD2 3.93Å; L100-L143 HydrophobicContact CD1-CG 4.39Å; L100-L143 HydrophobicContact CG-CD2 4.09Å
101A98.3Very high98.2Very high48 Ų4846.2 Ų46.240%0.39721%0.213SC..Hα-helixtrans-61.6-40.5171.500000112.2R99 K104 E105R99-A101 PolarHBondContact O-N 2.94Å; A101-K104 WeakPolarHBondContact O-CB 3.37Å; A101-K104 PolarHBondContact O-N 3.26Å; A101-E105 PolarHBondContact O-N 2.75Å
102I98.3Very high98.1Very high58 Ų5850.2 Ų50.230%0.29725%0.246SC..Hα-helixtrans-67.7-45.8177.8-53.7174.7000109.4L25 R99 L100 K104 E105 E106L25-I102 HydrophobicContact CD1-CB 4.24Å; L25-I102 HydrophobicContact CD1-CG2 4.44Å; L25-I102 HydrophobicContact CD2-CB 4.46Å; L25-I102 HydrophobicContact CD2-CG2 3.86Å; R99-I102 HydrophobicContact CB-CD1 4.2Å; R99-I102 HydrophobicContact CG-CD1 4.2Å; R99-I102 WeakPolarHBondContact O-CB 3.11Å; R99-I102 PolarHBondContact O-N 2.96Å; L100-I102 VanDerWaalsContact C-N 3.33Å; I102-K104 PolarHBondContact O-N 2.85Å; I102-E105 PolarHBondContact O-N 3.38Å; I102-E105 VanDerWaalsContact O-N 3.16Å; I102-E106 HydrophobicContact CG2-CG 4.42Å; I102-E106 WeakPolarHBondContact O-CG 3.47Å; I102-E106 PolarHBondContact O-N 2.89Å
103T98.4Very high98.1Very high8 Ų852.8 Ų52.85%0.04926%0.258CS..Hα-helixtrans-54.8-41.7174.1-59.40000111.9L25 L90 V92 R99 L100 L107 L143L25-T103 WeakPolarHBondContact CD1-OG1 3.49Å; L90-T103 HydrophobicContact CD1-CG2 4.27Å; L90-T103 HydrophobicContact CD2-CG2 4.03Å; L90-T103 HydrophobicContact CG-CG2 4.46Å; V92-T103 HydrophobicContact CG2-CG2 3.93Å; R99-T103 PolarHBondContact O-N 3.48Å; R99-T103 VanDerWaalsContact O-N 3.14Å; L100-T103 PolarHBondContact O-N 3.19Å; T103-L107 WeakPolarHBondContact O-CB 3.37Å; T103-L107 PolarHBondContact O-N 3.22Å; T103-L143 HydrophobicContact CG2-CD1 4.49Å; T103-L143 HydrophobicContact CG2-CD2 4.18Å
104K98.6Very high98Very high59 Ų5958.6 Ų58.626%0.25729%0.285SS..Hα-helixtrans-62-51.7175.9-172.6177.6-175.9159.40111.2L100 A101 I102 E106 L107 Y108 Y142 L143 T144L100-K104 PolarHBondContact O-N 3.24Å; A101-K104 WeakPolarHBondContact O-CB 3.37Å; A101-K104 PolarHBondContact O-N 3.26Å; I102-K104 PolarHBondContact O-N 2.85Å; K104-E106 VanDerWaalsContact C-N 3.32Å; K104-E106 PolarHBondContact O-N 2.92Å; K104-L107 PolarHBondContact O-N 3.25Å; K104-Y108 HydrophobicContact CD-CE2 4.5Å; K104-Y108 HydrophobicContact CG-CD2 3.85Å; K104-Y108 HydrophobicContact CG-CE2 3.77Å; K104-Y108 VanDerWaalsContact O-CD2 3.27Å; K104-Y108 WeakPolarHBondContact O-CD2 3.47Å; K104-Y108 PolarHBondContact O-N 3.29Å; K104-Y108 VanDerWaalsContact O-N 3.08Å; K104-Y142 PolarHBondContact NZ-O 3.45Å; K104-L143 HydrophobicContact CB-CD2 3.73Å; K104-L143 HydrophobicContact CG-CD2 4.34Å; K104-T144 VanDerWaalsContact CE-OG1 3.23Å; K104-T144 WeakPolarHBondContact CE-OG1 2.84Å; K104-T144 VanDerWaalsContact NZ-CG2 3.32Å; K104-T144 PolarHBondContact NZ-OG1 3.28Å
105E98.4Very high98Very high113 Ų11362 Ų6253%0.52830%0.303SS..Hα-helixtrans-56.5-47.3-179.9-171.4-177.1165.600111.6A101 I102 L107 Y108 R109A101-E105 PolarHBondContact O-N 2.75Å; I102-E105 PolarHBondContact O-N 3.38Å; I102-E105 VanDerWaalsContact O-N 3.16Å; E105-L107 PolarHBondContact O-N 2.98Å; E105-Y108 PolarHBondContact O-N 3.45Å; E105-R109 VanDerWaalsContact O-CB 3.3Å; E105-R109 WeakPolarHBondContact O-CB 3.41Å; E105-R109 PolarHBondContact O-N 3.1Å; E105-R109 IonicContact OE1-CZ 3.7Å; E105-R109 IonicContact OE1-NH2 3.81Å; E105-R109 PolarHBondContact OE1-NH2 3.21Å
106E98.3Very high97.9Very high13 Ų1359 Ų596%0.06129%0.288CS..Hα-helixtrans-63.5-41.8178-64.8-58.816200112.3W78 I102 K104 Y108 R109 M110W78-E106 HydrophobicContact CH2-CB 4.4Å; W78-E106 HydrophobicContact CH2-CG 4.47Å; W78-E106 HydrophobicContact CZ3-CB 3.89Å; W78-E106 HydrophobicContact CZ3-CG 4.28Å; I102-E106 HydrophobicContact CG2-CG 4.42Å; I102-E106 WeakPolarHBondContact O-CG 3.47Å; I102-E106 PolarHBondContact O-N 2.89Å; K104-E106 VanDerWaalsContact C-N 3.32Å; K104-E106 PolarHBondContact O-N 2.92Å; E106-Y108 PolarHBondContact O-N 2.89Å; E106-R109 PolarHBondContact O-N 3.13Å; E106-R109 IonicContact OE1-CZ 3.59Å; E106-R109 IonicContact OE1-NH1 3.32Å; E106-R109 PolarHBondContact OE1-NH1 3.41Å; E106-R109 IonicContact OE1-NH2 3.65Å; E106-R109 IonicContact OE2-CZ 2.67Å; E106-R109 IonicContact OE2-NH1 3.79Å; E106-R109 PolarHBondContact OE2-NH1 3.26Å; E106-M110 WeakPolarHBondContact O-CB 3.48Å; E106-M110 VanDerWaalsContact O-CG 3.28Å; E106-M110 WeakPolarHBondContact O-CG 3.25Å; E106-M110 PolarHBondContact O-N 3.1Å
107L98.6Very high97.8Very high0 Ų066 Ų660%031%0.311CS..Hα-helixtrans-56.2-53.5175.7173.659000111.2L90 T103 K104 E105 R109 M110 L111 V121 L145 I148L90-L107 HydrophobicContact CD2-CB 4.15Å; L90-L107 HydrophobicContact CD2-CD1 4.11Å; L90-L107 HydrophobicContact CD2-CD2 4.04Å; L90-L107 HydrophobicContact CD2-CG 4.32Å; T103-L107 WeakPolarHBondContact O-CB 3.37Å; T103-L107 PolarHBondContact O-N 3.22Å; K104-L107 PolarHBondContact O-N 3.25Å; E105-L107 PolarHBondContact O-N 2.98Å; L107-R109 VanDerWaalsContact C-N 3.32Å; L107-R109 PolarHBondContact O-N 2.86Å; L107-M110 WeakPolarHBondContact O-CB 3.42Å; L107-M110 PolarHBondContact O-N 3.16Å; L107-L111 HydrophobicContact CD1-CD1 3.8Å; L107-L111 HydrophobicContact CD1-CD2 4.4Å; L107-L111 HydrophobicContact CD1-CG 3.98Å; L107-L111 HydrophobicContact CG-CD1 4.17Å; L107-L111 WeakPolarHBondContact O-CG 3.39Å; L107-L111 PolarHBondContact O-N 3.01Å; L107-V121 HydrophobicContact CD1-CG1 4.21Å; L107-L145 HydrophobicContact CD2-CD2 3.68Å; L107-I148 HydrophobicContact CD2-CD1 4.2Å
108Y98.4Very high97.6Very high72 Ų7270 Ų7028%0.28233%0.332SS..Hα-helixtrans-69.2-31.5-178.5-75.3-84000112.6K104 E105 E106 M110 L111 A112 L143 T144 S147 I148K104-Y108 HydrophobicContact CD-CE2 4.5Å; K104-Y108 HydrophobicContact CG-CD2 3.85Å; K104-Y108 HydrophobicContact CG-CE2 3.77Å; K104-Y108 VanDerWaalsContact O-CD2 3.27Å; K104-Y108 WeakPolarHBondContact O-CD2 3.47Å; K104-Y108 PolarHBondContact O-N 3.29Å; K104-Y108 VanDerWaalsContact O-N 3.08Å; E105-Y108 PolarHBondContact O-N 3.45Å; E106-Y108 PolarHBondContact O-N 2.89Å; Y108-M110 VanDerWaalsContact C-N 3.35Å; Y108-L111 PolarHBondContact O-N 2.75Å; Y108-A112 WeakPolarHBondContact O-CB 3.41Å; Y108-A112 PolarHBondContact O-N 2.87Å; Y108-L143 VanDerWaalsContact CE2-O 3.3Å; Y108-L143 WeakPolarHBondContact CE2-O 3.35Å; Y108-L143 PolarHBondContact OH-O 3.32Å; Y108-T144 PolarHBondContact OH-O 3.41Å; Y108-T144 PolarHBondContact OH-OG1 3.42Å; Y108-S147 PolarHBondContact OH-OG 3.23Å; Y108-S147 VanDerWaalsContact OH-OG 3.06Å; Y108-I148 HydrophobicContact CE1-CG1 4.2Å
109R97.8Very high97.6Very high119 Ų11961.4 Ų61.445%0.44929%0.292SS..Hα-helixtrans-62.9-41.9172.7-169.7-173.8-62.3151-3.4111.5E105 E106 L107E105-R109 VanDerWaalsContact O-CB 3.3Å; E105-R109 WeakPolarHBondContact O-CB 3.41Å; E105-R109 PolarHBondContact O-N 3.1Å; E105-R109 IonicContact OE1-CZ 3.7Å; E105-R109 IonicContact OE1-NH2 3.81Å; E105-R109 PolarHBondContact OE1-NH2 3.21Å; E106-R109 PolarHBondContact O-N 3.13Å; E106-R109 IonicContact OE1-CZ 3.59Å; E106-R109 IonicContact OE1-NH1 3.32Å; E106-R109 PolarHBondContact OE1-NH1 3.41Å; E106-R109 IonicContact OE1-NH2 3.65Å; E106-R109 IonicContact OE2-CZ 2.67Å; E106-R109 IonicContact OE2-NH1 3.79Å; E106-R109 PolarHBondContact OE2-NH1 3.26Å; L107-R109 VanDerWaalsContact C-N 3.32Å; L107-R109 PolarHBondContact O-N 2.86Å
110M97.9Very high97.6Very high0 Ų058.7 Ų58.70%028%0.283CS..Hα-helixtrans-63.6-51174.6-72.6-170.4-63.400111.7V23 W78 Y82 I88 L90 E106 L107 Y108 A112 H113 L116V23-M110 HydrophobicContact CB-SD 4.27Å; V23-M110 HydrophobicContact CG1-SD 4.36Å; V23-M110 HydrophobicContact CG2-CE 3.74Å; V23-M110 HydrophobicContact CG2-SD 3.76Å; W78-M110 HydrophobicContact CE3-CG 4.28Å; W78-M110 HydrophobicContact CE3-SD 3.63Å; W78-M110 HydrophobicContact CZ3-CE 4.14Å; W78-M110 HydrophobicContact CZ3-SD 3.84Å; Y82-M110 HydrophobicContact CE1-CG 4.36Å; Y82-M110 HydrophobicContact CE1-SD 4.46Å; Y82-M110 VanDerWaalsContact OH-CG 3.32Å; Y82-M110 WeakPolarHBondContact OH-CG 3.27Å; I88-M110 HydrophobicContact CG2-CE 4.43Å; L90-M110 HydrophobicContact CD1-CE 4.38Å; E106-M110 WeakPolarHBondContact O-CB 3.48Å; E106-M110 VanDerWaalsContact O-CG 3.28Å; E106-M110 WeakPolarHBondContact O-CG 3.25Å; E106-M110 PolarHBondContact O-N 3.1Å; L107-M110 WeakPolarHBondContact O-CB 3.42Å; L107-M110 PolarHBondContact O-N 3.16Å; Y108-M110 VanDerWaalsContact C-N 3.35Å; M110-A112 PolarHBondContact O-N 2.97Å; M110-H113 VanDerWaalsContact O-CB 3.26Å; M110-H113 WeakPolarHBondContact O-CB 3.4Å; M110-H113 PolarHBondContact O-N 3.49Å; M110-L116 HydrophobicContact CB-CD1 3.9Å; M110-L116 WeakPolarHBondContact O-CD1 3.3Å
111L97.6Very high97.6Very high11 Ų1158.6 Ų58.66%0.05828%0.283CS..Hα-helixtrans-65.1-25.3-176.7-61-178.4000113.1I88 L107 Y108 H113 V121 I148I88-L111 HydrophobicContact CD1-CD2 4.12Å; L107-L111 HydrophobicContact CD1-CD1 3.8Å; L107-L111 HydrophobicContact CD1-CD2 4.4Å; L107-L111 HydrophobicContact CD1-CG 3.98Å; L107-L111 HydrophobicContact CG-CD1 4.17Å; L107-L111 WeakPolarHBondContact O-CG 3.39Å; L107-L111 PolarHBondContact O-N 3.01Å; Y108-L111 PolarHBondContact O-N 2.75Å; L111-H113 PolarHBondContact O-N 3.22Å; L111-V121 HydrophobicContact CD2-CG2 3.61Å; L111-I148 HydrophobicContact CD1-CD1 3.66Å; L111-I148 HydrophobicContact CD1-CG1 3.95Å; L111-I148 HydrophobicContact CD1-CG2 4.01Å
112A97.4Very high97.7Very high84 Ų8456.4 Ų56.469%0.69426%0.264SS*.THydrogen-bonded Turntrans-71.5-15.617300000113.9Y108 M110Y108-A112 WeakPolarHBondContact O-CB 3.41Å; Y108-A112 PolarHBondContact O-N 2.87Å; M110-A112 PolarHBondContact O-N 2.97Å
113H98.1Very high97.7Very high55 Ų5553.6 Ų53.626%0.25525%0.25SC..SBendtrans-76.7134.8-176.2-161.3-78.9000111.9Y82 M110 L111 D115 L116Y82-H113 HydrophobicContact CD2-CB 3.83Å; Y82-H113 AromaticContact CD2-CD2 3.81Å; Y82-H113 AromaticContact CD2-CE1 3.99Å; Y82-H113 AromaticContact CD2-CG 3.49Å; Y82-H113 VanDerWaalsContact CD2-CG 3.49Å; Y82-H113 AromaticContact CD2-ND1 3.62Å; Y82-H113 HydrophobicContact CE2-CB 3.93Å; Y82-H113 AromaticContact CE2-CD2 3.93Å; Y82-H113 AromaticContact CE2-CG 3.85Å; M110-H113 VanDerWaalsContact O-CB 3.26Å; M110-H113 WeakPolarHBondContact O-CB 3.4Å; M110-H113 PolarHBondContact O-N 3.49Å; L111-H113 PolarHBondContact O-N 3.22Å; H113-D115 VanDerWaalsContact C-N 3.34Å; H113-D115 IonicContact CE1-OD2 2.73Å; H113-D115 PolarHBondContact CE1-OD2 2.9Å; H113-D115 PolarHBondContact ND1-N 3.24Å; H113-D115 IonicContact ND1-OD2 2.67Å; H113-D115 PolarHBondContact O-N 3.39Å; H113-L116 PolarHBondContact O-N 3.08Å
114E96.8Very high97.7Very high135 Ų13553.2 Ų53.263%0.63125%0.247SC*.G310 helixtrans-61.7-38.6-172.663.5-177174.500113.9L116 R117E114-L116 PolarHBondContact O-N 3.47Å; E114-R117 WeakPolarHBondContact O-CB 3.37Å; E114-R117 WeakPolarHBondContact O-CG 3.48Å; E114-R117 PolarHBondContact O-N 3Å
115D97.3Very high97.7Very high72 Ų7250.4 Ų50.439%0.38524%0.235SC..G310 helixtrans-61.8-22.5177-71.9-28.3000113.9H113H113-D115 VanDerWaalsContact C-N 3.34Å; H113-D115 IonicContact CE1-OD2 2.73Å; H113-D115 PolarHBondContact CE1-OD2 2.9Å; H113-D115 PolarHBondContact ND1-N 3.24Å; H113-D115 IonicContact ND1-OD2 2.67Å; H113-D115 PolarHBondContact O-N 3.39Å
116L97.8Very high97.7Very high0 Ų045.2 Ų45.20%021%0.211CC..G310 helixtrans-97.4-4.8-177.4-68.3178.7000113.5I21 Y82 T85 I88 M110 H113 E114 K118 A119 H151I21-L116 HydrophobicContact CD1-CD2 4.42Å; Y82-L116 HydrophobicContact CD1-CD1 3.68Å; Y82-L116 HydrophobicContact CD1-CD2 4.11Å; Y82-L116 HydrophobicContact CD1-CG 4.11Å; Y82-L116 HydrophobicContact CD2-CD1 3.67Å; Y82-L116 HydrophobicContact CD2-CG 3.94Å; Y82-L116 HydrophobicContact CE1-CD1 3.87Å; Y82-L116 HydrophobicContact CE2-CD1 3.85Å; Y82-L116 HydrophobicContact CG-CD1 3.61Å; Y82-L116 HydrophobicContact CG-CD2 3.99Å; Y82-L116 HydrophobicContact CG-CG 3.69Å; T85-L116 HydrophobicContact CG2-CD2 3.91Å; I88-L116 HydrophobicContact CD1-CB 4.4Å; I88-L116 HydrophobicContact CD1-CD1 3.76Å; I88-L116 HydrophobicContact CD1-CD2 4.02Å; I88-L116 HydrophobicContact CD1-CG 4.27Å; I88-L116 HydrophobicContact CG1-CD2 4.27Å; M110-L116 HydrophobicContact CB-CD1 3.9Å; M110-L116 WeakPolarHBondContact O-CD1 3.3Å; H113-L116 PolarHBondContact O-N 3.08Å; E114-L116 PolarHBondContact O-N 3.47Å; L116-K118 PolarHBondContact O-N 3.43Å; L116-A119 HydrophobicContact CD2-CB 4.24Å; L116-A119 VanDerWaalsContact O-CB 3.28Å; L116-A119 WeakPolarHBondContact O-CB 3.5Å; L116-A119 PolarHBondContact O-N 3.32Å; L116-H151 PolarHBondContact O-CE1 3.15Å
117R94.9Very high97.7Very high176 Ų17646.2 Ų46.266%0.66422%0.215SC*.THydrogen-bonded Turntrans-49.9-23.5-173.3-79.3178.7179.2-177.25.8116.3E114E114-R117 WeakPolarHBondContact O-CB 3.37Å; E114-R117 WeakPolarHBondContact O-CG 3.48Å; E114-R117 PolarHBondContact O-N 3Å
118K93.2Very high97.7Very high202 Ų20248.8 Ų48.888%0.87823%0.227SC*.THydrogen-bonded Turntrans-106.6-5.2-179.9-62.7-177-178.6176.90113.6L116L116-K118 PolarHBondContact O-N 3.43Å
119A97.4Very high97.7Very high0 Ų049.4 Ų49.40%024%0.235CC..  trans-72.2138.7-175.700000110.8E86 I88 L116 H151E86-A119 CarbonylContact O-C 3.53Å; E86-A119 VanDerWaalsContact O-CA 3.24Å; E86-A119 WeakPolarHBondContact O-CA 3.28Å; I88-A119 HydrophobicContact CD1-CB 4.1Å; I88-A119 HydrophobicContact CG1-CB 4.01Å; L116-A119 HydrophobicContact CD2-CB 4.24Å; L116-A119 VanDerWaalsContact O-CB 3.28Å; L116-A119 WeakPolarHBondContact O-CB 3.5Å; L116-A119 PolarHBondContact O-N 3.32Å; A119-H151 PolarHBondContact O-ND1 2.75Å
120A98.3Very high97.7Very high6 Ų647.8 Ų47.85%0.0523%0.234CC..EExtended strand (participates in β ladder)trans-87.2147.5169.500000110.4E86 F87 I88 P152 W172E86-A120 PolarHBondContact O-N 2.93Å; F87-A120 CarbonylContact C-O 3.56Å; F87-A120 WeakPolarHBondContact CA-O 3.26Å; F87-A120 HydrophobicContact CD1-CB 3.82Å; F87-A120 HydrophobicContact CE1-CB 3.93Å; I88-A120 PolarHBondContact N-O 3.05Å; A120-P152 CarbonylContact C-O 3.57Å; A120-P152 WeakPolarHBondContact CA-O 3.42Å; A120-P152 HydrophobicContact CB-CB 4.17Å; A120-P152 HydrophobicContact CB-CG 4.45Å; A120-W172 HydrophobicContact CB-CH2 3.91Å; A120-W172 HydrophobicContact CB-CZ3 4.41Å
121V98.6Very high97.6Very high0 Ų057.8 Ų57.80%028%0.277CS..EExtended strand (participates in β ladder)trans-113.9111.5-173.2-167.50000110.7I88 L107 L111 I123 H151 P152 W153 H154 W172I88-V121 HydrophobicContact CB-CG1 4.49Å; I88-V121 HydrophobicContact CD1-CG2 4.45Å; I88-V121 CarbonylContact O-C 3.51Å; I88-V121 WeakPolarHBondContact O-CA 3.33Å; L107-V121 HydrophobicContact CD1-CG1 4.21Å; L111-V121 HydrophobicContact CD2-CG2 3.61Å; V121-I123 HydrophobicContact CB-CD1 4.32Å; V121-I123 HydrophobicContact CG1-CD1 3.73Å; V121-I123 HydrophobicContact CG1-CG1 4.16Å; V121-H151 HydrophobicContact CG2-CB 4.1Å; V121-P152 PolarHBondContact N-O 3.18Å; V121-W153 HydrophobicContact CB-CB 4.06Å; V121-W153 CarbonylContact O-C 3.56Å; V121-W153 WeakPolarHBondContact O-CA 3.3Å; V121-W153 WeakPolarHBondContact O-CB 3.48Å; V121-H154 PolarHBondContact O-N 3.26Å; V121-W172 WeakPolarHBondContact O-CH2 3.41Å
122L98.8Very high97.6Very high1 Ų159.7 Ų59.71%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-94.4122.9166.3177.561.8000109I88 I89 L90 F124 H154 Q156 W172 M173I88-L122 PolarHBondContact O-N 3.49Å; I89-L122 CarbonylContact C-O 3.53Å; I89-L122 VanDerWaalsContact CA-O 3.32Å; I89-L122 WeakPolarHBondContact CA-O 3.49Å; I89-L122 HydrophobicContact CG1-CB 4.38Å; I89-L122 HydrophobicContact CG1-CD2 4.33Å; L90-L122 PolarHBondContact N-O 3.41Å; L122-F124 HydrophobicContact CD2-CD2 4.27Å; L122-F124 HydrophobicContact CD2-CE1 4.32Å; L122-F124 HydrophobicContact CD2-CE2 3.62Å; L122-F124 HydrophobicContact CD2-CZ 3.66Å; L122-F124 HydrophobicContact CG-CE2 4.33Å; L122-F124 HydrophobicContact CG-CZ 4.45Å; L122-H154 HydrophobicContact CD1-CB 4.29Å; L122-Q156 HydrophobicContact CD1-CB 4.34Å; L122-W172 HydrophobicContact CB-CE3 4.12Å; L122-W172 HydrophobicContact CB-CZ3 3.83Å; L122-W172 HydrophobicContact CD1-CE3 4.1Å; L122-M173 HydrophobicContact CB-CG 4.31Å; L122-M173 HydrophobicContact CB-SD 4.33Å; L122-M173 HydrophobicContact CD2-CG 3.94Å; L122-M173 HydrophobicContact CD2-SD 3.58Å; L122-M173 VanDerWaalsContact CD2-SD 3.58Å
123I98.9Very high97.6Very high0 Ų057 Ų570%028%0.275CS..EExtended strand (participates in β ladder)trans-103.1117.4174.1-56.385.6000108.1L90 V92 V121 L145 W153 H154 I155 Q156L90-I123 HydrophobicContact CB-CG1 4.38Å; L90-I123 HydrophobicContact CD2-CG1 4.33Å; L90-I123 HydrophobicContact CD2-CG2 4.48Å; L90-I123 CarbonylContact O-C 3.58Å; L90-I123 WeakPolarHBondContact O-CA 3.49Å; V92-I123 HydrophobicContact CG2-CG2 3.74Å; V121-I123 HydrophobicContact CB-CD1 4.32Å; V121-I123 HydrophobicContact CG1-CD1 3.73Å; V121-I123 HydrophobicContact CG1-CG1 4.16Å; I123-L145 HydrophobicContact CD1-CD1 3.96Å; I123-L145 HydrophobicContact CD1-CD2 4.33Å; I123-L145 HydrophobicContact CG1-CD1 4.19Å; I123-L145 HydrophobicContact CG1-CD2 4.45Å; I123-W153 HydrophobicContact CD1-CB 4.25Å; I123-W153 HydrophobicContact CD1-CE3 4.48Å; I123-H154 VanDerWaalsContact CD1-O 3.26Å; I123-H154 WeakPolarHBondContact CD1-O 3.35Å; I123-H154 PolarHBondContact N-O 3.16Å; I123-I155 HydrophobicContact CB-CB 4.15Å; I123-I155 HydrophobicContact CB-CD1 4.36Å; I123-I155 HydrophobicContact CB-CG1 3.99Å; I123-I155 HydrophobicContact CG2-CD1 3.97Å; I123-I155 HydrophobicContact CG2-CG1 4Å; I123-I155 CarbonylContact O-C 3.6Å; I123-I155 WeakPolarHBondContact O-CA 2.91Å; I123-Q156 PolarHBondContact O-N 3.15Å
124F98.9Very high97.6Very high0 Ų054.9 Ų54.90%027%0.266CS..EExtended strand (participates in β ladder)trans-91.3111.9167.6-83.2-53.7000109.8I33 F37 I89 L90 V92 L122 N126 Q156 C158 L166I33-F124 HydrophobicContact CD1-CB 4.14Å; I33-F124 HydrophobicContact CD1-CD2 3.88Å; I33-F124 HydrophobicContact CD1-CG 4.15Å; I33-F124 HydrophobicContact CG2-CD2 4.42Å; I33-F124 HydrophobicContact CG2-CE2 4.22Å; F37-F124 AromaticContact CZ-CE2 3.99Å; F37-F124 HydrophobicContact CZ-CE2 3.99Å; F37-F124 HydrophobicContact CZ-CZ 4.09Å; I89-F124 HydrophobicContact CG2-CD2 3.55Å; I89-F124 HydrophobicContact CG2-CE2 3.95Å; L90-F124 PolarHBondContact O-N 2.96Å; V92-F124 PolarHBondContact N-O 3.23Å; L122-F124 HydrophobicContact CD2-CD2 4.27Å; L122-F124 HydrophobicContact CD2-CE1 4.32Å; L122-F124 HydrophobicContact CD2-CE2 3.62Å; L122-F124 HydrophobicContact CD2-CZ 3.66Å; L122-F124 HydrophobicContact CG-CE2 4.33Å; L122-F124 HydrophobicContact CG-CZ 4.45Å; F124-N126 VanDerWaalsContact C-N 3.31Å; F124-N126 PolarHBondContact O-N 2.8Å; F124-N126 VanDerWaalsContact O-N 3.12Å; F124-Q156 WeakPolarHBondContact CA-O 3.39Å; F124-Q156 HydrophobicContact CD1-CB 3.95Å; F124-Q156 HydrophobicContact CD1-CG 4.16Å; F124-Q156 HydrophobicContact CE1-CB 3.99Å; F124-Q156 HydrophobicContact CE1-CG 3.86Å; F124-C158 HydrophobicContact CD1-CB 3.82Å; F124-C158 WeakPolarHBondContact CD1-SG 3.2Å; F124-C158 HydrophobicContact CE1-CB 4.23Å; F124-L166 HydrophobicContact CD1-CD2 4.11Å; F124-L166 HydrophobicContact CD2-CD2 4.48Å; F124-L166 HydrophobicContact CE1-CD2 3.76Å; F124-L166 HydrophobicContact CE2-CD2 4.16Å; F124-L166 HydrophobicContact CG-CD2 4.47Å; F124-L166 HydrophobicContact CZ-CD2 3.79Å
125A98.8Very high97.7Very high0 Ų051.6 Ų51.60%026%0.255CS..EExtended strand (participates in β ladder)trans-78.585.8164.700000107.8S94 Q128 A136 I139 I155 Q156 C158S94-A125 VanDerWaalsContact OG-C 3.23Å; A125-Q128 WeakPolarHBondContact O-CG 3.45Å; A125-A136 HydrophobicContact CB-CB 4.16Å; A125-I139 HydrophobicContact CB-CD1 3.57Å; A125-I155 HydrophobicContact CB-CD1 4.43Å; A125-I155 HydrophobicContact CB-CG1 4.41Å; A125-Q156 PolarHBondContact N-O 3.13Å; A125-C158 PolarHBondContact O-N 3.09Å
126N98.8Very high97.8Very high3 Ų349 Ų492%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-87.7162.2-169.7-169.831.8000112.4A28 V91 V92 S94 F124 C158 A160A28-N126 PolarHBondContact O-ND2 3.34Å; V91-N126 HydrophobicContact CG1-CB 3.88Å; V92-N126 WeakPolarHBondContact O-CB 3.46Å; V92-N126 PolarHBondContact O-N 3.16Å; S94-N126 WeakPolarHBondContact CB-O 3.19Å; S94-N126 PolarHBondContact N-O 2.76Å; S94-N126 PolarHBondContact OG-N 2.76Å; S94-N126 PolarHBondContact OG-O 3.32Å; F124-N126 VanDerWaalsContact C-N 3.31Å; F124-N126 PolarHBondContact O-N 2.8Å; F124-N126 VanDerWaalsContact O-N 3.12Å; N126-C158 CarbonylContact C-O 3.53Å; N126-C158 WeakPolarHBondContact CA-O 3.25Å; N126-C158 VanDerWaalsContact CA-SG 3.59Å; N126-C158 PolarHBondContact OD1-SG 2.89Å; N126-A160 WeakPolarHBondContact OD1-CB 3.32Å; N126-A160 PolarHBondContact OD1-N 3.02Å
127K98.4Very high97.8Very high35 Ų3552.4 Ų52.415%0.15227%0.271CS..  trans67.737.7-177.8-45.1-168.7-167.6172.40113.9N27 D93 I95 D129 M130 C158N27-K127 WeakPolarHBondContact O-CE 3.36Å; N27-K127 PolarHBondContact O-NZ 3.2Å; D93-K127 WeakPolarHBondContact OD1-CD 3.32Å; D93-K127 IonicContact OD1-NZ 2.65Å; D93-K127 WeakPolarHBondContact OD2-CE 3.33Å; D93-K127 IonicContact OD2-NZ 3.06Å; D93-K127 PolarHBondContact OD2-NZ 3.26Å; I95-K127 HydrophobicContact CD1-CD 4.42Å; I95-K127 HydrophobicContact CG1-CD 4.4Å; K127-D129 VanDerWaalsContact C-OD1 3.27Å; K127-D129 VanDerWaalsContact CA-OD1 3.27Å; K127-D129 WeakPolarHBondContact CA-OD1 3.48Å; K127-D129 PolarHBondContact O-N 3.2Å; K127-M130 HydrophobicContact CB-CG 4.03Å; K127-M130 WeakPolarHBondContact O-CB 3.11Å; K127-M130 PolarHBondContact O-N 3.46Å; K127-M130 VanDerWaalsContact O-N 3.17Å; K127-C158 PolarHBondContact N-O 2.86Å
128Q98.6Very high98Very high53 Ų5348.6 Ų48.625%0.24826%0.261CS..THydrogen-bonded Turntrans-68.7-13.1177.8-65.2-73.8-72.200113.2S94 A125 M130 M134 S157 C158S94-Q128 PolarHBondContact OG-NE2 2.63Å; A125-Q128 WeakPolarHBondContact O-CG 3.45Å; Q128-M130 PolarHBondContact O-N 3.17Å; Q128-M134 PolarHBondContact NE2-O 2.84Å; Q128-S157 PolarHBondContact OE1-OG 3.28Å; Q128-S157 VanDerWaalsContact OE1-OG 3.1Å; Q128-C158 WeakPolarHBondContact CG-O 3.06Å; Q128-C158 PolarHBondContact N-O 3.27Å
129D97.4Very high98.3Very high86 Ų8639 Ų3946%0.4622%0.219SC..THydrogen-bonded Turntrans-69.3-20171.258.2-66.6000113.2K127 C159K127-D129 VanDerWaalsContact C-OD1 3.27Å; K127-D129 VanDerWaalsContact CA-OD1 3.27Å; K127-D129 WeakPolarHBondContact CA-OD1 3.48Å; K127-D129 PolarHBondContact O-N 3.2Å; D129-C159 HydrophobicContact CB-CB 4.49Å; D129-C159 VanDerWaalsContact CG-SG 3.52Å; D129-C159 PolarHBondContact OD1-SG 2.99Å
130M97.8Very high98.3Very high85 Ų8540 Ų4042%0.41923%0.227SC..SBendtrans-82.1134.6-174.8-64.3-67.6-74.300112.2I95 K127 Q128 G132 C133I95-M130 HydrophobicContact CD1-CE 4.23Å; I95-M130 HydrophobicContact CG2-CB 3.49Å; I95-M130 VanDerWaalsContact CG2-CB 3.49Å; I95-M130 HydrophobicContact CG2-CG 4.23Å; K127-M130 HydrophobicContact CB-CG 4.03Å; K127-M130 WeakPolarHBondContact O-CB 3.11Å; K127-M130 PolarHBondContact O-N 3.46Å; K127-M130 VanDerWaalsContact O-N 3.17Å; Q128-M130 PolarHBondContact O-N 3.17Å; M130-G132 PolarHBondContact O-N 2.9Å; M130-C133 WeakPolarHBondContact O-CB 3.44Å; M130-C133 PolarHBondContact O-N 3.29Å; M130-C133 VanDerWaalsContact O-N 3.16Å; M130-C133 PolarHBondContact O-SG 3.36Å
131K96.6Very high98.3Very high210 Ų21048 Ų4891%0.91326%0.26SS*.THydrogen-bonded Turntrans-60.7130.2176.9-173.3179.6-179.1-179.30110.9C133K131-C133 VanDerWaalsContact C-N 3.28Å
132G95.8Very high98.3Very high51 Ų5153.2 Ų53.253%0.52628%0.281SS..THydrogen-bonded Turntrans74.417.6178.900000113.4R97 M130R97-G132 PolarHBondContact NH1-O 3.12Å; R97-G132 PolarHBondContact NH2-O 2.86Å; M130-G132 PolarHBondContact O-N 2.9Å
133C98Very high98.3Very high27 Ų2753.2 Ų53.218%0.18228%0.281CS..PPolyproline II helixtrans-59.1154.1165.962.90000111.3S94 I95 M130 K131S94-C133 CarbonylContact O-C 3.55Å; S94-C133 WeakPolarHBondContact O-CA 3.26Å; I95-C133 HydrophobicContact CG2-CB 3.95Å; M130-C133 WeakPolarHBondContact O-CB 3.44Å; M130-C133 PolarHBondContact O-N 3.29Å; M130-C133 VanDerWaalsContact O-N 3.16Å; M130-C133 PolarHBondContact O-SG 3.36Å; K131-C133 VanDerWaalsContact C-N 3.28Å
134M98.8Very high98.3Very high10 Ų1055.4 Ų55.45%0.04929%0.294CS..PPolyproline II helixtrans-72.9140.3167.7-65.5175.8-78.700109.4S94 R97 L100 Q128 E138 I139S94-M134 WeakPolarHBondContact O-CB 3.43Å; S94-M134 VanDerWaalsContact O-CE 3.25Å; S94-M134 WeakPolarHBondContact O-CE 3.16Å; S94-M134 PolarHBondContact O-N 2.85Å; R97-M134 HydrophobicContact CG-CE 3.84Å; R97-M134 HydrophobicContact CG-CG 3.85Å; R97-M134 HydrophobicContact CG-SD 3.53Å; R97-M134 VanDerWaalsContact CG-SD 3.53Å; L100-M134 HydrophobicContact CD1-CE 4.45Å; L100-M134 HydrophobicContact CD2-CE 3.98Å; L100-M134 HydrophobicContact CD2-SD 3.68Å; Q128-M134 PolarHBondContact NE2-O 2.84Å; M134-E138 WeakPolarHBondContact CA-OE2 3.27Å; M134-E138 HydrophobicContact CB-CB 4.28Å; M134-I139 HydrophobicContact CB-CD1 4.06Å; M134-I139 HydrophobicContact CB-CG1 3.78Å; M134-I139 HydrophobicContact CE-CG1 4.27Å; M134-I139 HydrophobicContact SD-CG1 4.23Å
135T98.7Very high98.3Very high67 Ų6755.4 Ų55.441%0.41129%0.294SS..PPolyproline II helixtrans-68.7157.2169.262.40000110.8A137 E138 I139T135-A137 PolarHBondContact O-N 3.46Å; T135-E138 PolarHBondContact N-OE2 3.12Å; T135-E138 PolarHBondContact O-N 3.25Å; T135-E138 VanDerWaalsContact O-N 3.12Å; T135-E138 VanDerWaalsContact OG1-CG 3.31Å; T135-E138 WeakPolarHBondContact OG1-CG 3.19Å; T135-E138 PolarHBondContact OG1-N 2.75Å; T135-E138 VanDerWaalsContact OG1-N 3.17Å; T135-E138 PolarHBondContact OG1-OE2 2.87Å; T135-I139 PolarHBondContact O-N 2.91Å
136A98.6Very high98.3Very high16 Ų1659.1 Ų59.113%0.13232%0.321CS..Hα-helixtrans-54.3-34.7170.400000112.3A125 S140 I155 S157A125-A136 HydrophobicContact CB-CB 4.16Å; A136-S140 WeakPolarHBondContact O-CB 3.39Å; A136-S140 PolarHBondContact O-N 3.38Å; A136-I155 HydrophobicContact CB-CD1 4.16Å; A136-I155 HydrophobicContact CB-CG1 4.05Å; A136-I155 WeakPolarHBondContact O-CD1 3.44Å; A136-S157 WeakPolarHBondContact CB-OG 3.47Å
137A98.7Very high98.2Very high72 Ų7262.2 Ų62.260%0.59534%0.342SS*.Hα-helixtrans-66-42.3177.200000112.7T135 S140 K141T135-A137 PolarHBondContact O-N 3.46Å; A137-S140 PolarHBondContact O-N 2.98Å; A137-K141 WeakPolarHBondContact O-CB 3.34Å; A137-K141 PolarHBondContact O-N 2.86Å
138E98.7Very high98.2Very high96 Ų9660.9 Ų60.945%0.44934%0.337SS..Hα-helixtrans-64.5-45.4175.8-73.3166.8128.100111.6M134 T135 K141 Y142M134-E138 WeakPolarHBondContact CA-OE2 3.27Å; M134-E138 HydrophobicContact CB-CB 4.28Å; T135-E138 PolarHBondContact N-OE2 3.12Å; T135-E138 PolarHBondContact O-N 3.25Å; T135-E138 VanDerWaalsContact O-N 3.12Å; T135-E138 VanDerWaalsContact OG1-CG 3.31Å; T135-E138 WeakPolarHBondContact OG1-CG 3.19Å; T135-E138 PolarHBondContact OG1-N 2.75Å; T135-E138 VanDerWaalsContact OG1-N 3.17Å; T135-E138 PolarHBondContact OG1-OE2 2.87Å; E138-K141 PolarHBondContact O-N 2.78Å; E138-Y142 WeakPolarHBondContact O-CB 3.28Å; E138-Y142 PolarHBondContact O-N 3.16Å
139I98.9Very high98.1Very high0 Ų066.5 Ų66.50%036%0.36CS..Hα-helixtrans-61-48.1176-68165.3000110V92 S94 A125 M134 T135 K141 Y142 L143 I155V92-I139 HydrophobicContact CG1-CD1 4.23Å; V92-I139 HydrophobicContact CG1-CG2 4.13Å; V92-I139 HydrophobicContact CG2-CG2 4.47Å; S94-I139 WeakPolarHBondContact OG-CD1 3.49Å; A125-I139 HydrophobicContact CB-CD1 3.57Å; M134-I139 HydrophobicContact CB-CD1 4.06Å; M134-I139 HydrophobicContact CB-CG1 3.78Å; M134-I139 HydrophobicContact CE-CG1 4.27Å; M134-I139 HydrophobicContact SD-CG1 4.23Å; T135-I139 PolarHBondContact O-N 2.91Å; I139-K141 VanDerWaalsContact C-N 3.29Å; I139-K141 PolarHBondContact O-N 3.12Å; I139-Y142 PolarHBondContact O-N 2.85Å; I139-L143 HydrophobicContact CG2-CD1 3.65Å; I139-L143 HydrophobicContact CG2-CG 4.08Å; I139-L143 WeakPolarHBondContact O-CB 3.47Å; I139-L143 WeakPolarHBondContact O-CG 3.39Å; I139-L143 PolarHBondContact O-N 2.83Å; I139-I155 HydrophobicContact CB-CD1 4.06Å; I139-I155 HydrophobicContact CG2-CD1 3.79Å
140S98.8Very high98Very high23 Ų2367.8 Ų67.816%0.16137%0.367CS..Hα-helixtrans-57.1-42.8177.9-178.30000112.1A136 A137 T144 L145A136-S140 WeakPolarHBondContact O-CB 3.39Å; A136-S140 PolarHBondContact O-N 3.38Å; A137-S140 PolarHBondContact O-N 2.98Å; S140-T144 PolarHBondContact O-N 3Å; S140-L145 PolarHBondContact O-N 2.94Å
141K98.7Very high98Very high173 Ų17364.1 Ų64.175%0.75235%0.349SS*.Hα-helixtrans-65.6-46.1177.9-177.3179178.2-178.40111.1A137 E138 I139 T144A137-K141 WeakPolarHBondContact O-CB 3.34Å; A137-K141 PolarHBondContact O-N 2.86Å; E138-K141 PolarHBondContact O-N 2.78Å; I139-K141 VanDerWaalsContact C-N 3.29Å; I139-K141 PolarHBondContact O-N 3.12Å; K141-T144 PolarHBondContact O-N 3.4Å
142Y98.7Very high98.1Very high110 Ų11057 Ų5743%0.43133%0.325SS..Hα-helixtrans-66.1-47.5-177.5-169.7-77.3000112.3L100 K104 E138 I139 T144L100-Y142 HydrophobicContact CB-CD1 4.12Å; L100-Y142 HydrophobicContact CB-CE1 3.88Å; L100-Y142 HydrophobicContact CD2-CD1 3.38Å; L100-Y142 HydrophobicContact CD2-CD2 3.98Å; L100-Y142 HydrophobicContact CD2-CE1 3.97Å; L100-Y142 HydrophobicContact CD2-CE2 4.49Å; L100-Y142 HydrophobicContact CD2-CG 3.38Å; L100-Y142 HydrophobicContact CG-CD1 3.47Å; L100-Y142 VanDerWaalsContact CG-CD1 3.47Å; L100-Y142 HydrophobicContact CG-CE1 3.76Å; L100-Y142 HydrophobicContact CG-CG 4.05Å; K104-Y142 PolarHBondContact NZ-O 3.45Å; E138-Y142 WeakPolarHBondContact O-CB 3.28Å; E138-Y142 PolarHBondContact O-N 3.16Å; I139-Y142 PolarHBondContact O-N 2.85Å; Y142-T144 PolarHBondContact O-N 2.98Å; Y142-T144 VanDerWaalsContact O-N 3.13Å
143L98.7Very high98.2Very high0 Ų058.3 Ų58.30%031%0.314CS..THydrogen-bonded Turntrans-69.8-4.5175.7-60.7-175.2000112.8L90 V92 L100 T103 K104 Y108 I139 L145L90-L143 HydrophobicContact CD2-CD1 4.46Å; V92-L143 HydrophobicContact CG2-CD1 4.28Å; L100-L143 HydrophobicContact CD1-CD2 3.93Å; L100-L143 HydrophobicContact CD1-CG 4.39Å; L100-L143 HydrophobicContact CG-CD2 4.09Å; T103-L143 HydrophobicContact CG2-CD1 4.49Å; T103-L143 HydrophobicContact CG2-CD2 4.18Å; K104-L143 HydrophobicContact CB-CD2 3.73Å; K104-L143 HydrophobicContact CG-CD2 4.34Å; Y108-L143 VanDerWaalsContact CE2-O 3.3Å; Y108-L143 WeakPolarHBondContact CE2-O 3.35Å; Y108-L143 PolarHBondContact OH-O 3.32Å; I139-L143 HydrophobicContact CG2-CD1 3.65Å; I139-L143 HydrophobicContact CG2-CG 4.08Å; I139-L143 WeakPolarHBondContact O-CB 3.47Å; I139-L143 WeakPolarHBondContact O-CG 3.39Å; I139-L143 PolarHBondContact O-N 2.83Å; L143-L145 HydrophobicContact CB-CD2 3.69Å; L143-L145 HydrophobicContact CB-CG 3.99Å; L143-L145 HydrophobicContact CD1-CD2 4.26Å; L143-L145 PolarHBondContact O-N 3.45Å
144T98.4Very high98.3Very high46 Ų4659.6 Ų59.628%0.28232%0.317SS..THydrogen-bonded Turntrans52.140.1-178.251.50000112.6K104 Y108 S140 K141 Y142 S146 S147K104-T144 VanDerWaalsContact CE-OG1 3.23Å; K104-T144 WeakPolarHBondContact CE-OG1 2.84Å; K104-T144 VanDerWaalsContact NZ-CG2 3.32Å; K104-T144 PolarHBondContact NZ-OG1 3.28Å; Y108-T144 PolarHBondContact OH-O 3.41Å; Y108-T144 PolarHBondContact OH-OG1 3.42Å; S140-T144 PolarHBondContact O-N 3Å; K141-T144 PolarHBondContact O-N 3.4Å; Y142-T144 PolarHBondContact O-N 2.98Å; Y142-T144 VanDerWaalsContact O-N 3.13Å; T144-S146 PolarHBondContact O-N 3.14Å; T144-S147 PolarHBondContact O-N 2.99Å; T144-S147 PolarHBondContact O-OG 3.11Å
145L98.6Very high98.3Very high0 Ų060.4 Ų60.40%032%0.321CS..G310 helixtrans-56.4-28.8-174-58.8-177000113L107 I123 S140 L143 S147 I148 W153 I155L107-L145 HydrophobicContact CD2-CD2 3.68Å; I123-L145 HydrophobicContact CD1-CD1 3.96Å; I123-L145 HydrophobicContact CD1-CD2 4.33Å; I123-L145 HydrophobicContact CG1-CD1 4.19Å; I123-L145 HydrophobicContact CG1-CD2 4.45Å; S140-L145 PolarHBondContact O-N 2.94Å; L143-L145 HydrophobicContact CB-CD2 3.69Å; L143-L145 HydrophobicContact CB-CG 3.99Å; L143-L145 HydrophobicContact CD1-CD2 4.26Å; L143-L145 PolarHBondContact O-N 3.45Å; L145-S147 PolarHBondContact O-N 3.01Å; L145-S147 VanDerWaalsContact O-N 3.14Å; L145-I148 HydrophobicContact CD2-CD1 3.83Å; L145-I148 WeakPolarHBondContact O-CB 3.42Å; L145-I148 PolarHBondContact O-N 2.98Å; L145-W153 HydrophobicContact CB-CD2 4.15Å; L145-W153 HydrophobicContact CB-CE3 4.06Å; L145-W153 HydrophobicContact CB-CH2 3.84Å; L145-W153 HydrophobicContact CB-CZ2 3.9Å; L145-W153 HydrophobicContact CB-CZ3 3.91Å; L145-W153 HydrophobicContact CD1-CE3 4Å; L145-W153 HydrophobicContact CD1-CZ3 3.91Å; L145-W153 PolarHBondContact O-NE1 3.42Å; L145-W153 VanDerWaalsContact O-NE1 3.17Å; L145-I155 HydrophobicContact CD1-CB 4.16Å; L145-I155 HydrophobicContact CD1-CD1 4.06Å
146S97.9Very high98.3Very high79 Ų7958.9 Ų58.955%0.55231%0.309SS*.G310 helixtrans-60.6-20.2175.157.30000114.8T144 K149T144-S146 PolarHBondContact O-N 3.14Å; S146-K149 VanDerWaalsContact O-CE 3.24Å; S146-K149 WeakPolarHBondContact O-CE 3.35Å; S146-K149 PolarHBondContact O-NZ 3.16Å
147S97.9Very high98.3Very high67 Ų6760 Ų6047%0.46932%0.316SS..G310 helixtrans-82.7-13174.457.40000113.8Y108 T144 L145 K149Y108-S147 PolarHBondContact OH-OG 3.23Å; Y108-S147 VanDerWaalsContact OH-OG 3.06Å; T144-S147 PolarHBondContact O-N 2.99Å; T144-S147 PolarHBondContact O-OG 3.11Å; L145-S147 PolarHBondContact O-N 3.01Å; L145-S147 VanDerWaalsContact O-N 3.14Å; S147-K149 PolarHBondContact O-N 3.31Å
148I98Very high98.3Very high7 Ų756.8 Ų56.84%0.03629%0.289CS..  trans-75.5115.6173.7-56.5166.8000107.5L107 Y108 L111 L145 H151 W153L107-I148 HydrophobicContact CD2-CD1 4.2Å; Y108-I148 HydrophobicContact CE1-CG1 4.2Å; L111-I148 HydrophobicContact CD1-CD1 3.66Å; L111-I148 HydrophobicContact CD1-CG1 3.95Å; L111-I148 HydrophobicContact CD1-CG2 4.01Å; L145-I148 HydrophobicContact CD2-CD1 3.83Å; L145-I148 WeakPolarHBondContact O-CB 3.42Å; L145-I148 PolarHBondContact O-N 2.98Å; I148-H151 HydrophobicContact CG2-CB 3.84Å; I148-W153 PolarHBondContact O-NE1 2.95Å
149K96.4Very high98.2Very high172 Ų17252.3 Ų52.375%0.74827%0.268SS*.  trans-120.2-23.5-174.8-62-53.3-173.2-1650113.5S146 S147S146-K149 VanDerWaalsContact O-CE 3.24Å; S146-K149 WeakPolarHBondContact O-CE 3.35Å; S146-K149 PolarHBondContact O-NZ 3.16Å; S147-K149 PolarHBondContact O-N 3.31Å
150D96.1Very high98.1Very high113 Ų11352.5 Ų52.560%0.60427%0.27SS*.SBendtrans-88.4-17.8-177.347-12.7000113.1
151H97.6Very high97.9Very high7 Ų755.7 Ų55.73%0.03229%0.285CS..SBendtrans-119.1134.5175.2-59.8-98000111.7L116 A119 V121 I148 W153L116-H151 PolarHBondContact O-CE1 3.15Å; A119-H151 PolarHBondContact O-ND1 2.75Å; V121-H151 HydrophobicContact CG2-CB 4.1Å; I148-H151 HydrophobicContact CG2-CB 3.84Å; H151-W153 PolarHBondContact O-N 3.28Å
152P97.9Very high97.7Very high62 Ų6251.7 Ų51.740%0.40328%0.275SS..  trans-60.7134.9162.1-17.130.4000109.4A120 V121 W172A120-P152 CarbonylContact C-O 3.57Å; A120-P152 WeakPolarHBondContact CA-O 3.42Å; A120-P152 HydrophobicContact CB-CB 4.17Å; A120-P152 HydrophobicContact CB-CG 4.45Å; V121-P152 PolarHBondContact N-O 3.18Å; P152-W172 HydrophobicContact CB-CZ2 4.49Å
153W98.6Very high97.5Very high78 Ų7847.4 Ų47.430%0.29526%0.264SS..EExtended strand (participates in β ladder)trans-141.7158.2177.465-94.6000113V121 I123 L145 I148 H151 I155V121-W153 HydrophobicContact CB-CB 4.06Å; V121-W153 CarbonylContact O-C 3.56Å; V121-W153 WeakPolarHBondContact O-CA 3.3Å; V121-W153 WeakPolarHBondContact O-CB 3.48Å; I123-W153 HydrophobicContact CD1-CB 4.25Å; I123-W153 HydrophobicContact CD1-CE3 4.48Å; L145-W153 HydrophobicContact CB-CD2 4.15Å; L145-W153 HydrophobicContact CB-CE3 4.06Å; L145-W153 HydrophobicContact CB-CH2 3.84Å; L145-W153 HydrophobicContact CB-CZ2 3.9Å; L145-W153 HydrophobicContact CB-CZ3 3.91Å; L145-W153 HydrophobicContact CD1-CE3 4Å; L145-W153 HydrophobicContact CD1-CZ3 3.91Å; L145-W153 PolarHBondContact O-NE1 3.42Å; L145-W153 VanDerWaalsContact O-NE1 3.17Å; I148-W153 PolarHBondContact O-NE1 2.95Å; H151-W153 PolarHBondContact O-N 3.28Å; W153-I155 HydrophobicContact CZ3-CG2 4.16Å
154H98.7Very high97.5Very high54 Ų5454.2 Ų54.225%0.2530%0.296CS..EExtended strand (participates in β ladder)trans-146.1145.6171.3179.263.9000110.1V121 L122 I123 Q156 W172V121-H154 PolarHBondContact O-N 3.26Å; L122-H154 HydrophobicContact CD1-CB 4.29Å; I123-H154 VanDerWaalsContact CD1-O 3.26Å; I123-H154 WeakPolarHBondContact CD1-O 3.35Å; I123-H154 PolarHBondContact N-O 3.16Å; H154-Q156 PolarHBondContact NE2-OE1 2.68Å; H154-W172 HydrophobicContact CB-CD2 3.43Å; H154-W172 VanDerWaalsContact CB-CD2 3.43Å; H154-W172 HydrophobicContact CB-CE3 3.98Å; H154-W172 HydrophobicContact CB-CG 3.71Å; H154-W172 HydrophobicContact CB-CH2 4.2Å; H154-W172 HydrophobicContact CB-CZ2 3.69Å; H154-W172 HydrophobicContact CB-CZ3 4.34Å; H154-W172 AromaticContact CD2-CG 3.99Å; H154-W172 AromaticContact CG-CD1 3.81Å; H154-W172 AromaticContact CG-CG 3.87Å
155I98.8Very high97.4Very high26 Ų2652.2 Ų52.213%0.13328%0.284CS..EExtended strand (participates in β ladder)trans-116.3131.6172-172.8164.8000109.6I123 A125 A136 I139 L145 W153I123-I155 HydrophobicContact CB-CB 4.15Å; I123-I155 HydrophobicContact CB-CD1 4.36Å; I123-I155 HydrophobicContact CB-CG1 3.99Å; I123-I155 HydrophobicContact CG2-CD1 3.97Å; I123-I155 HydrophobicContact CG2-CG1 4Å; I123-I155 CarbonylContact O-C 3.6Å; I123-I155 WeakPolarHBondContact O-CA 2.91Å; A125-I155 HydrophobicContact CB-CD1 4.43Å; A125-I155 HydrophobicContact CB-CG1 4.41Å; A136-I155 HydrophobicContact CB-CD1 4.16Å; A136-I155 HydrophobicContact CB-CG1 4.05Å; A136-I155 WeakPolarHBondContact O-CD1 3.44Å; I139-I155 HydrophobicContact CB-CD1 4.06Å; I139-I155 HydrophobicContact CG2-CD1 3.79Å; L145-I155 HydrophobicContact CD1-CB 4.16Å; L145-I155 HydrophobicContact CD1-CD1 4.06Å; W153-I155 HydrophobicContact CZ3-CG2 4.16Å
156Q98.8Very high97.3Very high36 Ų3652.4 Ų52.417%0.16829%0.285CS..EExtended strand (participates in β ladder)trans-128.3120.1-175.5-175.85657.300109.6L122 I123 F124 A125 H154 G165 Q168L122-Q156 HydrophobicContact CD1-CB 4.34Å; I123-Q156 PolarHBondContact O-N 3.15Å; F124-Q156 WeakPolarHBondContact CA-O 3.39Å; F124-Q156 HydrophobicContact CD1-CB 3.95Å; F124-Q156 HydrophobicContact CD1-CG 4.16Å; F124-Q156 HydrophobicContact CE1-CB 3.99Å; F124-Q156 HydrophobicContact CE1-CG 3.86Å; A125-Q156 PolarHBondContact N-O 3.13Å; H154-Q156 PolarHBondContact NE2-OE1 2.68Å; Q156-G165 WeakPolarHBondContact CG-O 3.38Å; Q156-Q168 HydrophobicContact CG-CB 4.41Å
157S98.8Very high97.1Very high40 Ų4052.1 Ų52.128%0.2828%0.282SS..EExtended strand (participates in β ladder)trans-62.9132.7165.1-80.10000109.2Q128 A136 G165Q128-S157 PolarHBondContact OE1-OG 3.28Å; Q128-S157 VanDerWaalsContact OE1-OG 3.1Å; A136-S157 WeakPolarHBondContact CB-OG 3.47Å; S157-G165 WeakPolarHBondContact O-CA 3.28Å
158C98.7Very high97Very high3 Ų353.4 Ų53.42%0.0228%0.281CS..  trans-149.8165.1177.371.60000113.9F124 A125 N126 K127 Q128 E164 L166F124-C158 HydrophobicContact CD1-CB 3.82Å; F124-C158 WeakPolarHBondContact CD1-SG 3.2Å; F124-C158 HydrophobicContact CE1-CB 4.23Å; A125-C158 PolarHBondContact O-N 3.09Å; N126-C158 CarbonylContact C-O 3.53Å; N126-C158 WeakPolarHBondContact CA-O 3.25Å; N126-C158 VanDerWaalsContact CA-SG 3.59Å; N126-C158 PolarHBondContact OD1-SG 2.89Å; K127-C158 PolarHBondContact N-O 2.86Å; Q128-C158 WeakPolarHBondContact CG-O 3.06Å; Q128-C158 PolarHBondContact N-O 3.27Å; C158-E164 CarbonylContact C-O 3.58Å; C158-E164 WeakPolarHBondContact CA-O 2.93Å; C158-E164 WeakPolarHBondContact CB-O 3.15Å; C158-L166 HydrophobicContact CB-CD2 3.67Å; C158-L166 HydrophobicContact CB-CG 4.43Å
159C98Very high97Very high3 Ų353.1 Ų53.12%0.0228%0.279CS..  trans-127.2111164.6176.50000108.9D129 L161 T162 G163 E164D129-C159 HydrophobicContact CB-CB 4.49Å; D129-C159 VanDerWaalsContact CG-SG 3.52Å; D129-C159 PolarHBondContact OD1-SG 2.99Å; C159-L161 PolarHBondContact O-N 2.91Å; C159-T162 WeakPolarHBondContact CB-OG1 3.39Å; C159-T162 PolarHBondContact O-N 2.68Å; C159-G163 WeakPolarHBondContact O-CA 3.39Å; C159-G163 PolarHBondContact O-N 2.75Å; C159-E164 PolarHBondContact N-O 3.22Å
160A96.8Very high96.9Very high4 Ų445.5 Ų45.53%0.03325%0.247CC..THydrogen-bonded Turntrans-60.9-26.9178.900000113.2T32 I33 Q36 N126T32-A160 HydrophobicContact CG2-CB 3.74Å; I33-A160 HydrophobicContact CD1-CB 4.42Å; I33-A160 HydrophobicContact CG1-CB 3.55Å; Q36-A160 PolarHBondContact OE1-O 3.14Å; N126-A160 WeakPolarHBondContact OD1-CB 3.32Å; N126-A160 PolarHBondContact OD1-N 3.02Å
161L94.8Very high96.7Very high89 Ų8944.2 Ų44.247%0.46624%0.237SC..THydrogen-bonded Turntrans-79.7-22.6-180-59177.3000113.3T32 V42 C159T32-L161 HydrophobicContact CG2-CD2 4.03Å; V42-L161 HydrophobicContact CG1-CD2 3.56Å; V42-L161 WeakPolarHBondContact CG2-O 3.4Å; C159-L161 PolarHBondContact O-N 2.91Å
162T94.2Very high96.7Very high90 Ų9045.1 Ų45.155%0.55224%0.241SC*.THydrogen-bonded Turntrans-109.2-13.8178.365.10000112.3C159 E164C159-T162 WeakPolarHBondContact CB-OG1 3.39Å; C159-T162 PolarHBondContact O-N 2.68Å; T162-E164 PolarHBondContact O-N 3.05Å; T162-E164 WeakPolarHBondContact OG1-CB 3.12Å; T162-E164 PolarHBondContact OG1-N 3.14Å
163G94.9Very high96.6Very high19 Ų1942.2 Ų42.220%0.19622%0.221CC..  trans77.1-2.5-170.900000114C159 G165 L166C159-G163 WeakPolarHBondContact O-CA 3.39Å; C159-G163 PolarHBondContact O-N 2.75Å; G163-G165 PolarHBondContact O-N 2.89Å; G163-L166 WeakPolarHBondContact O-CB 3.22Å; G163-L166 PolarHBondContact O-N 2.64Å
164E96.8Very high96.3Very high144 Ų14440.1 Ų40.167%0.67322%0.218SC*.THydrogen-bonded Turntrans-59.4133.4179.3-172179.8178.200110.6C158 C159 T162 L166C158-E164 CarbonylContact C-O 3.58Å; C158-E164 WeakPolarHBondContact CA-O 2.93Å; C158-E164 WeakPolarHBondContact CB-O 3.15Å; C159-E164 PolarHBondContact N-O 3.22Å; T162-E164 PolarHBondContact O-N 3.05Å; T162-E164 WeakPolarHBondContact OG1-CB 3.12Å; T162-E164 PolarHBondContact OG1-N 3.14Å; E164-L166 PolarHBondContact O-N 3.08Å
165G97.5Very high96Very high4 Ų440.7 Ų40.74%0.04123%0.228CC..THydrogen-bonded Turntrans82.1-18.8179.400000114.9Q156 S157 G163 Q168 G169Q156-G165 WeakPolarHBondContact CG-O 3.38Å; S157-G165 WeakPolarHBondContact O-CA 3.28Å; G163-G165 PolarHBondContact O-N 2.89Å; G165-Q168 PolarHBondContact O-N 3.08Å; G165-Q168 PolarHBondContact O-OE1 2.73Å; G165-G169 PolarHBondContact O-N 2.81Å
166L96.3Very high95.7Very high4 Ų444.1 Ų44.12%0.02124%0.239CC..Hα-helixtrans-68.3-40.9-174.8-62.8-170.1000112.4I33 Q36 F37 F124 C158 G163 E164 Q168 G169 L170I33-L166 HydrophobicContact CD1-CD2 4.12Å; I33-L166 HydrophobicContact CG1-CD1 4.46Å; I33-L166 HydrophobicContact CG1-CD2 3.97Å; I33-L166 HydrophobicContact CG2-CD1 4.47Å; I33-L166 HydrophobicContact CG2-CD2 4.21Å; Q36-L166 HydrophobicContact CB-CD1 3.81Å; Q36-L166 HydrophobicContact CG-CD1 3.53Å; F37-L166 HydrophobicContact CD1-CB 4.47Å; F37-L166 HydrophobicContact CE1-CB 3.66Å; F37-L166 HydrophobicContact CE1-CD1 4.25Å; F37-L166 HydrophobicContact CE1-CG 4.45Å; F37-L166 HydrophobicContact CZ-CB 4.27Å; F124-L166 HydrophobicContact CD1-CD2 4.11Å; F124-L166 HydrophobicContact CD2-CD2 4.48Å; F124-L166 HydrophobicContact CE1-CD2 3.76Å; F124-L166 HydrophobicContact CE2-CD2 4.16Å; F124-L166 HydrophobicContact CG-CD2 4.47Å; F124-L166 HydrophobicContact CZ-CD2 3.79Å; C158-L166 HydrophobicContact CB-CD2 3.67Å; C158-L166 HydrophobicContact CB-CG 4.43Å; G163-L166 WeakPolarHBondContact O-CB 3.22Å; G163-L166 PolarHBondContact O-N 2.64Å; E164-L166 PolarHBondContact O-N 3.08Å; L166-Q168 VanDerWaalsContact C-N 3.35Å; L166-Q168 PolarHBondContact O-N 3.44Å; L166-G169 PolarHBondContact O-N 2.67Å; L166-L170 PolarHBondContact O-N 2.65Å; L166-L170 VanDerWaalsContact O-N 3.07Å
167C93.6Very high95.2Very high72 Ų7244.6 Ų44.649%0.48624%0.242SC..Hα-helixtrans-60.5-44177.9-172.70000111.5G169 L170 E171C167-G169 VanDerWaalsContact C-N 3.28Å; C167-G169 PolarHBondContact O-N 2.93Å; C167-L170 PolarHBondContact O-N 3.36Å; C167-L170 VanDerWaalsContact O-N 3.16Å; C167-E171 WeakPolarHBondContact O-CG 3.47Å; C167-E171 PolarHBondContact O-N 2.69Å
168Q96.4Very high94.1Very high95 Ų9546.2 Ų46.244%0.44427%0.265SS..Hα-helixtrans-61.8-37.4178.4-64.683.9-11.200111.8Q156 G165 L166 W172Q156-Q168 HydrophobicContact CG-CB 4.41Å; G165-Q168 PolarHBondContact O-N 3.08Å; G165-Q168 PolarHBondContact O-OE1 2.73Å; L166-Q168 VanDerWaalsContact C-N 3.35Å; L166-Q168 PolarHBondContact O-N 3.44Å; Q168-W172 PolarHBondContact O-N 2.7Å; Q168-W172 VanDerWaalsContact O-N 3.08Å
169G97.1Very high92.5Very high0 Ų050.8 Ų50.80%029%0.293CS..Hα-helixtrans-63.6-46173.700000112.5G165 L166 C167 W172 M173G165-G169 PolarHBondContact O-N 2.81Å; L166-G169 PolarHBondContact O-N 2.67Å; C167-G169 VanDerWaalsContact C-N 3.28Å; C167-G169 PolarHBondContact O-N 2.93Å; G169-W172 WeakPolarHBondContact O-CB 3.39Å; G169-W172 PolarHBondContact O-N 3.22Å; G169-M173 PolarHBondContact O-N 3.21Å; G169-M173 VanDerWaalsContact O-N 3.09Å
170L93.7Very high90.1Very high13 Ų1365.1 Ų65.17%0.06835%0.346CS..Hα-helixtrans-64.5-41.2175.8-71.8177.7000112.5F37 V58 M65 L166 C167 W172 M173 T174F37-L170 HydrophobicContact CD1-CD1 3.4Å; F37-L170 HydrophobicContact CD1-CG 4.14Å; F37-L170 HydrophobicContact CE1-CD1 3.17Å; F37-L170 HydrophobicContact CE1-CD2 3.96Å; F37-L170 HydrophobicContact CE1-CG 3.43Å; F37-L170 VanDerWaalsContact CE1-CG 3.43Å; F37-L170 HydrophobicContact CE2-CD2 4.03Å; F37-L170 HydrophobicContact CE2-CG 4.39Å; F37-L170 HydrophobicContact CG-CD1 4.18Å; F37-L170 HydrophobicContact CZ-CD1 3.84Å; F37-L170 HydrophobicContact CZ-CD2 3.69Å; F37-L170 HydrophobicContact CZ-CG 3.6Å; V58-L170 HydrophobicContact CG2-CD1 3.81Å; M65-L170 HydrophobicContact CE-CD2 3.94Å; L166-L170 PolarHBondContact O-N 2.65Å; L166-L170 VanDerWaalsContact O-N 3.07Å; C167-L170 PolarHBondContact O-N 3.36Å; C167-L170 VanDerWaalsContact O-N 3.16Å; L170-W172 VanDerWaalsContact C-N 3.26Å; L170-W172 PolarHBondContact O-N 2.88Å; L170-M173 HydrophobicContact CD2-SD 4.27Å; L170-M173 WeakPolarHBondContact O-CB 3.18Å; L170-M173 PolarHBondContact O-N 3.46Å; L170-T174 PolarHBondContact O-N 2.81Å; L170-T174 PolarHBondContact O-OG1 3.1Å; L170-T174 VanDerWaalsContact O-OG1 3.13Å
171E93.7Very high89.8Confident86 Ų8668.2 Ų68.240%0.40236%0.362SS..Hα-helixtrans-60.6-38.9176.5-73.4-174.3146.400111.7K59 C167 T174 S175K59-E171 IonicContact NZ-OE1 3.62Å; K59-E171 PolarHBondContact NZ-OE1 3.14Å; C167-E171 WeakPolarHBondContact O-CG 3.47Å; C167-E171 PolarHBondContact O-N 2.69Å; E171-T174 PolarHBondContact O-N 3.34Å; E171-S175 WeakPolarHBondContact O-CB 3.44Å; E171-S175 PolarHBondContact O-N 3.32Å
172W96.3Very high89.5Confident26 Ų2667.1 Ų67.110%0.09836%0.356CS..Hα-helixtrans-61.5-45.8171.2177.489.9000111.5A120 V121 L122 P152 H154 Q168 G169 L170 S175 R176A120-W172 HydrophobicContact CB-CH2 3.91Å; A120-W172 HydrophobicContact CB-CZ3 4.41Å; V121-W172 WeakPolarHBondContact O-CH2 3.41Å; L122-W172 HydrophobicContact CB-CE3 4.12Å; L122-W172 HydrophobicContact CB-CZ3 3.83Å; L122-W172 HydrophobicContact CD1-CE3 4.1Å; P152-W172 HydrophobicContact CB-CZ2 4.49Å; H154-W172 HydrophobicContact CB-CD2 3.43Å; H154-W172 VanDerWaalsContact CB-CD2 3.43Å; H154-W172 HydrophobicContact CB-CE3 3.98Å; H154-W172 HydrophobicContact CB-CG 3.71Å; H154-W172 HydrophobicContact CB-CH2 4.2Å; H154-W172 HydrophobicContact CB-CZ2 3.69Å; H154-W172 HydrophobicContact CB-CZ3 4.34Å; H154-W172 AromaticContact CD2-CG 3.99Å; H154-W172 AromaticContact CG-CD1 3.81Å; H154-W172 AromaticContact CG-CG 3.87Å; Q168-W172 PolarHBondContact O-N 2.7Å; Q168-W172 VanDerWaalsContact O-N 3.08Å; G169-W172 WeakPolarHBondContact O-CB 3.39Å; G169-W172 PolarHBondContact O-N 3.22Å; L170-W172 VanDerWaalsContact C-N 3.26Å; L170-W172 PolarHBondContact O-N 2.88Å; W172-S175 WeakPolarHBondContact O-CB 3.45Å; W172-S175 PolarHBondContact O-N 3.27Å; W172-S175 PolarHBondContact O-OG 2.87Å; W172-R176 HydrophobicContact CD2-CG 4.44Å; W172-R176 HydrophobicContact CH2-CG 4.45Å; W172-R176 HydrophobicContact CZ2-CG 4.2Å; W172-R176 VanDerWaalsContact NE1-NH2 3.1Å; W172-R176 WeakPolarHBondContact O-CG 3.48Å; W172-R176 PolarHBondContact O-N 3.17Å
173M95.4Very high89.3Confident0 Ų065.8 Ų65.80%035%0.346CS..Hα-helixtrans-59.7-48.6177.1-70.4176.156.200111.8V20 F63 F87 I89 L122 G169 L170 S175 R176V20-M173 HydrophobicContact CG1-CE 4.01Å; V20-M173 HydrophobicContact CG2-CE 3.79Å; F63-M173 HydrophobicContact CD1-CE 4.13Å; F63-M173 HydrophobicContact CE1-CE 3.91Å; F63-M173 HydrophobicContact CZ-CB 4.45Å; F87-M173 HydrophobicContact CB-CE 3.59Å; F87-M173 HydrophobicContact CD1-CB 4.21Å; F87-M173 HydrophobicContact CD1-CE 4Å; F87-M173 HydrophobicContact CD1-CG 4.01Å; F87-M173 HydrophobicContact CD2-CE 4.05Å; F87-M173 HydrophobicContact CE1-CB 4.06Å; F87-M173 HydrophobicContact CE1-CG 4.31Å; F87-M173 HydrophobicContact CG-CE 3.62Å; F87-M173 WeakPolarHBondContact CZ-O 3.33Å; I89-M173 HydrophobicContact CD1-CE 4.21Å; I89-M173 HydrophobicContact CD1-SD 3.76Å; I89-M173 HydrophobicContact CG1-CE 4.38Å; I89-M173 HydrophobicContact CG1-SD 3.9Å; L122-M173 HydrophobicContact CB-CG 4.31Å; L122-M173 HydrophobicContact CB-SD 4.33Å; L122-M173 HydrophobicContact CD2-CG 3.94Å; L122-M173 HydrophobicContact CD2-SD 3.58Å; L122-M173 VanDerWaalsContact CD2-SD 3.58Å; G169-M173 PolarHBondContact O-N 3.21Å; G169-M173 VanDerWaalsContact O-N 3.09Å; L170-M173 HydrophobicContact CD2-SD 4.27Å; L170-M173 WeakPolarHBondContact O-CB 3.18Å; L170-M173 PolarHBondContact O-N 3.46Å; M173-S175 PolarHBondContact O-N 3.29Å; M173-R176 WeakPolarHBondContact O-CB 3.49Å; M173-R176 PolarHBondContact O-N 3.14Å
174T92.6Very high88.9Confident35 Ų3568.5 Ų68.522%0.21535%0.354CS..Hα-helixtrans-58.3-36.4177.1-53.90000111.6L170 E171 R176 I177L170-T174 PolarHBondContact O-N 2.81Å; L170-T174 PolarHBondContact O-OG1 3.1Å; L170-T174 VanDerWaalsContact O-OG1 3.13Å; E171-T174 PolarHBondContact O-N 3.34Å; T174-R176 PolarHBondContact O-N 2.87Å; T174-I177 PolarHBondContact O-N 3.19Å
175S92.7Very high88.4Confident66 Ų6663.8 Ų63.846%0.46233%0.334SS..Hα-helixtrans-66.7-14.3177810000114.7E171 W172 M173 V179E171-S175 WeakPolarHBondContact O-CB 3.44Å; E171-S175 PolarHBondContact O-N 3.32Å; W172-S175 WeakPolarHBondContact O-CB 3.45Å; W172-S175 PolarHBondContact O-N 3.27Å; W172-S175 PolarHBondContact O-OG 2.87Å; M173-S175 PolarHBondContact O-N 3.29Å; S175-V179 WeakPolarHBondContact O-CG2 3.49Å
176R93.2Very high87.8Confident97 Ų9767.8 Ų67.837%0.36635%0.354SS..Hα-helixtrans-92.5-14176.9-58.6-58.5170.5-173.7-7.3113.4F87 W172 M173 T174 G178 V179F87-R176 HydrophobicContact CE1-CB 3.81Å; F87-R176 HydrophobicContact CE1-CG 4.39Å; F87-R176 HydrophobicContact CZ-CB 4.05Å; W172-R176 HydrophobicContact CD2-CG 4.44Å; W172-R176 HydrophobicContact CH2-CG 4.45Å; W172-R176 HydrophobicContact CZ2-CG 4.2Å; W172-R176 VanDerWaalsContact NE1-NH2 3.1Å; W172-R176 WeakPolarHBondContact O-CG 3.48Å; W172-R176 PolarHBondContact O-N 3.17Å; M173-R176 WeakPolarHBondContact O-CB 3.49Å; M173-R176 PolarHBondContact O-N 3.14Å; T174-R176 PolarHBondContact O-N 2.87Å; R176-G178 PolarHBondContact O-N 2.83Å; R176-V179 PolarHBondContact O-N 3.3Å
177I88.4Confident87.2Confident47 Ų4772.4 Ų72.424%0.24138%0.378CS..THydrogen-bonded Turntrans-65.8131.7178.9-65.3171.4000109.5T61 F63 F87 T174 V179T61-I177 HydrophobicContact CG2-CD1 3.28Å; F63-I177 HydrophobicContact CE1-CD1 4.09Å; F63-I177 HydrophobicContact CZ-CD1 3.9Å; F87-I177 HydrophobicContact CE2-CG1 4.16Å; F87-I177 HydrophobicContact CZ-CG1 3.98Å; T174-I177 PolarHBondContact O-N 3.19Å; I177-V179 PolarHBondContact O-N 3.13Å
178G76.2Confident86.7Confident74 Ų7472.4 Ų72.476%0.76337%0.369SS*.THydrogen-bonded Turntrans75.4-2.6-179.500000115R176 R180R176-G178 PolarHBondContact O-N 2.83Å; G178-R180 PolarHBondContact O-N 3.25Å
179V64.1Low85.9Confident99 Ų9970.5 Ų70.560%0.636%0.363SS*.  trans-83.497.4171.1-174.80000107.6S175 R176 I177S175-V179 WeakPolarHBondContact O-CG2 3.49Å; R176-V179 PolarHBondContact O-N 3.3Å; I177-V179 PolarHBondContact O-N 3.13Å
180R47.8Very low84.9Confident303 Ų30376.9 Ų76.9100%1.14340%0.396SS*.  trans-99.80174.1-72.7-173.3178.3-179.71.4111.4G178G178-R180 PolarHBondContact O-N 3.25Å

Retrieved 180 of 180 residues in 34.4 ms (Link to these results)

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