A0A087XZZ2_POEFO Loading...

Adrenomedullin a

AlphaFold DB , UniProt , Accession A0A087XZZ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 165 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
1M59.7Low79.4Confident173 Ų173120.5 Ų120.585%0.85260%0.598SS**  0-58.20-63.5-72.7-111.300112.2T3 I4 F5M1-T3 PolarHBondContact O-N 3.45Å; M1-I4 PolarHBondContact O-N 3.32Å; M1-F5 WeakPolarHBondContact O-CD2 3.49Å; M1-F5 PolarHBondContact O-N 3.46Å
2K66.9Low79.6Confident174 Ų174117.4 Ų117.476%0.75760%0.595SS**Hα-helixtrans-58.7-44-175.2-65.5176179.6176.60114.2I4 F5 H6K2-I4 VanDerWaalsContact C-N 3.29Å; K2-I4 PolarHBondContact O-N 3.38Å; K2-F5 PolarHBondContact O-N 3.49Å; K2-H6 PolarHBondContact O-N 3.26Å; K2-H6 VanDerWaalsContact O-N 3.16Å; K2-H6 PolarHBondContact O-ND1 3.09Å
3T73.2Confident80.1Confident110 Ų110116.5 Ų116.568%0.67559%0.592SS**Hα-helixtrans-62.5-32.8-178.749.20000113.9M1 H6 S7M1-T3 PolarHBondContact O-N 3.45Å; T3-H6 PolarHBondContact O-N 3.44Å; T3-S7 PolarHBondContact O-N 3.4Å; T3-S7 PolarHBondContact O-OG 3.31Å
4I80.3Confident80.2Confident85 Ų85117.1 Ų117.144%0.43660%0.597SS.*Hα-helixtrans-69.3-44179.8-61.8165.5000110M1 K2 H6 S7 F8M1-I4 PolarHBondContact O-N 3.32Å; K2-I4 VanDerWaalsContact C-N 3.29Å; K2-I4 PolarHBondContact O-N 3.38Å; I4-H6 PolarHBondContact O-N 3.48Å; I4-S7 WeakPolarHBondContact CA-OG 3.41Å; I4-S7 PolarHBondContact O-N 3.13Å; I4-S7 PolarHBondContact O-OG 3.12Å; I4-F8 HydrophobicContact CG2-CD2 3.67Å; I4-F8 HydrophobicContact CG2-CE2 3.37Å; I4-F8 WeakPolarHBondContact O-CD2 3.16Å; I4-F8 PolarHBondContact O-N 2.84Å
5F81.5Confident80.2Confident130 Ų130112.5 Ų112.557%0.5758%0.583SS**Hα-helixtrans-64.7-39.5175.6-69.1-69.6000112.3M1 K2 F8 L9M1-F5 WeakPolarHBondContact O-CD2 3.49Å; M1-F5 PolarHBondContact O-N 3.46Å; K2-F5 PolarHBondContact O-N 3.49Å; F5-F8 PolarHBondContact O-N 2.81Å; F5-L9 WeakPolarHBondContact O-CB 2.98Å; F5-L9 VanDerWaalsContact O-CG 3.26Å; F5-L9 WeakPolarHBondContact O-CG 3.08Å; F5-L9 PolarHBondContact O-N 2.83Å
6H83.8Confident80Confident104 Ų104109.1 Ų109.148%0.48157%0.572SS.*Hα-helixtrans-64.2-43.7175.2-69.883.8000111.2K2 T3 I4 F8 L9 Y10K2-H6 PolarHBondContact O-N 3.26Å; K2-H6 VanDerWaalsContact O-N 3.16Å; K2-H6 PolarHBondContact O-ND1 3.09Å; T3-H6 PolarHBondContact O-N 3.44Å; I4-H6 PolarHBondContact O-N 3.48Å; H6-F8 VanDerWaalsContact C-N 3.32Å; H6-F8 PolarHBondContact O-N 2.98Å; H6-L9 PolarHBondContact O-N 2.89Å; H6-Y10 HydrophobicContact CB-CD2 4.39Å; H6-Y10 HydrophobicContact CB-CE2 4.38Å; H6-Y10 WeakPolarHBondContact O-CD2 3.36Å; H6-Y10 PolarHBondContact O-N 3.02Å
7S84.6Confident79.7Confident68 Ų68107.7 Ų107.748%0.47657%0.569SS.*Hα-helixtrans-62.3-38.9177.456.10000112.5T3 I4 C11T3-S7 PolarHBondContact O-N 3.4Å; T3-S7 PolarHBondContact O-OG 3.31Å; I4-S7 WeakPolarHBondContact CA-OG 3.41Å; I4-S7 PolarHBondContact O-N 3.13Å; I4-S7 PolarHBondContact O-OG 3.12Å; S7-C11 VanDerWaalsContact O-CB 3.29Å; S7-C11 WeakPolarHBondContact O-CB 3.2Å; S7-C11 PolarHBondContact O-N 3.4Å
8F85.6Confident79.2Confident132 Ų132104.9 Ų104.958%0.57956%0.563SS**Hα-helixtrans-66.4-44.5175.1-78.7-63.3000111.9I4 F5 H6 Y10 C11 C12I4-F8 HydrophobicContact CG2-CD2 3.67Å; I4-F8 HydrophobicContact CG2-CE2 3.37Å; I4-F8 WeakPolarHBondContact O-CD2 3.16Å; I4-F8 PolarHBondContact O-N 2.84Å; F5-F8 PolarHBondContact O-N 2.81Å; H6-F8 VanDerWaalsContact C-N 3.32Å; H6-F8 PolarHBondContact O-N 2.98Å; F8-Y10 PolarHBondContact O-N 2.71Å; F8-C11 PolarHBondContact O-N 2.91Å; F8-C12 PolarHBondContact O-N 3.43Å; F8-C12 PolarHBondContact O-SG 3.47Å
9L85.8Confident78.5Confident110 Ų110105.8 Ų105.858%0.57656%0.564SS**Hα-helixtrans-62.2-43.9177.2-70.8171.1000112.1F5 H6 C11 C12 L13F5-L9 WeakPolarHBondContact O-CB 2.98Å; F5-L9 VanDerWaalsContact O-CG 3.26Å; F5-L9 WeakPolarHBondContact O-CG 3.08Å; F5-L9 PolarHBondContact O-N 2.83Å; H6-L9 PolarHBondContact O-N 2.89Å; L9-C11 VanDerWaalsContact C-N 3.34Å; L9-C11 PolarHBondContact O-N 3.44Å; L9-C12 PolarHBondContact O-N 2.96Å; L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å; L9-L13 PolarHBondContact O-N 2.88Å
10Y87Confident77.6Confident156 Ų156104.3 Ų104.361%0.61256%0.56SS**Hα-helixtrans-63.4-39.3174.7-79.9-66.2000112.2H6 F8 L13 L14H6-Y10 HydrophobicContact CB-CD2 4.39Å; H6-Y10 HydrophobicContact CB-CE2 4.38Å; H6-Y10 WeakPolarHBondContact O-CD2 3.36Å; H6-Y10 PolarHBondContact O-N 3.02Å; F8-Y10 PolarHBondContact O-N 2.71Å; Y10-L13 PolarHBondContact O-N 2.99Å; Y10-L14 WeakPolarHBondContact O-CB 3.17Å; Y10-L14 VanDerWaalsContact O-CG 3.29Å; Y10-L14 WeakPolarHBondContact O-CG 3.36Å; Y10-L14 PolarHBondContact O-N 2.72Å
11C84.8Confident76.8Confident83 Ų83103.3 Ų103.356%0.56156%0.558SS**Hα-helixtrans-64.6-41.2176.7-1660000111.8S7 F8 L9 L14 A15S7-C11 VanDerWaalsContact O-CB 3.29Å; S7-C11 WeakPolarHBondContact O-CB 3.2Å; S7-C11 PolarHBondContact O-N 3.4Å; F8-C11 PolarHBondContact O-N 2.91Å; L9-C11 VanDerWaalsContact C-N 3.34Å; L9-C11 PolarHBondContact O-N 3.44Å; C11-L14 PolarHBondContact O-N 3.44Å; C11-A15 WeakPolarHBondContact O-CB 3.29Å; C11-A15 PolarHBondContact O-N 2.96Å
12C82.1Confident76.7Confident84 Ų84101.1 Ų101.157%0.56855%0.546SS*.Hα-helixtrans-66.7-39.4176.5-67.20000112.3F8 L9 A15 S16F8-C12 PolarHBondContact O-N 3.43Å; F8-C12 PolarHBondContact O-SG 3.47Å; L9-C12 PolarHBondContact O-N 2.96Å; C12-A15 PolarHBondContact O-N 3.48Å; C12-S16 PolarHBondContact O-N 3.26Å; C12-S16 PolarHBondContact O-OG 3.3Å
13L85.6Confident76.2Confident105 Ų105100.7 Ų100.755%0.5555%0.551SS.*Hα-helixtrans-66-40.2175.6-71.4171000112L9 Y10 S16 V17L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å; L9-L13 PolarHBondContact O-N 2.88Å; Y10-L13 PolarHBondContact O-N 2.99Å; L13-S16 PolarHBondContact O-OG 3.29Å; L13-V17 WeakPolarHBondContact O-CB 3.38Å; L13-V17 WeakPolarHBondContact O-CG2 3.21Å; L13-V17 PolarHBondContact O-N 3.32Å; L13-V17 VanDerWaalsContact O-N 3.09Å
14L82.2Confident75.4Confident126 Ų126103.4 Ų103.466%0.6656%0.556SS**Hα-helixtrans-67.9-38.4177-71.5169.2000112Y10 C11 A18Y10-L14 WeakPolarHBondContact O-CB 3.17Å; Y10-L14 VanDerWaalsContact O-CG 3.29Å; Y10-L14 WeakPolarHBondContact O-CG 3.36Å; Y10-L14 PolarHBondContact O-N 2.72Å; C11-L14 PolarHBondContact O-N 3.44Å; L14-A18 VanDerWaalsContact O-CB 3.29Å; L14-A18 WeakPolarHBondContact O-CB 3.29Å; L14-A18 PolarHBondContact O-N 3.49Å
15A80.8Confident74.4Confident47 Ų47101.6 Ų101.639%0.38855%0.548SS..Hα-helixtrans-65.9-4317700000112.3C11 C12 A18 H19C11-A15 WeakPolarHBondContact O-CB 3.29Å; C11-A15 PolarHBondContact O-N 2.96Å; C12-A15 PolarHBondContact O-N 3.48Å; A15-A18 PolarHBondContact O-N 3.24Å; A15-H19 PolarHBondContact O-CD2 3.16Å; A15-H19 PolarHBondContact O-N 3.09Å
16S76.1Confident73.5Confident58 Ų5899.6 Ų99.641%0.40654%0.544SS..Hα-helixtrans-66.5-42.1177.464.20000111.9C12 L13 A18 H19 C20C12-S16 PolarHBondContact O-N 3.26Å; C12-S16 PolarHBondContact O-OG 3.3Å; L13-S16 PolarHBondContact O-OG 3.29Å; S16-A18 PolarHBondContact O-N 3.01Å; S16-H19 PolarHBondContact O-N 2.69Å; S16-C20 WeakPolarHBondContact O-CB 3.48Å; S16-C20 PolarHBondContact O-N 3.38Å; S16-C20 PolarHBondContact O-SG 2.02Å
17V75Confident72.8Confident86 Ų8698.8 Ų98.852%0.52155%0.548SS..Hα-helixtrans-64.6-40.5176.2173.30000111.4L13 H19 C20 V21L13-V17 WeakPolarHBondContact O-CB 3.38Å; L13-V17 WeakPolarHBondContact O-CG2 3.21Å; L13-V17 PolarHBondContact O-N 3.32Å; L13-V17 VanDerWaalsContact O-N 3.09Å; V17-H19 VanDerWaalsContact C-N 3.34Å; V17-H19 PolarHBondContact O-N 3.32Å; V17-C20 PolarHBondContact O-N 2.9Å; V17-V21 HydrophobicContact CG1-CG2 4.39Å; V17-V21 WeakPolarHBondContact O-CG2 3.31Å; V17-V21 PolarHBondContact O-N 3.43Å
18A70.9Confident71.9Confident57 Ų57101.4 Ų101.447%0.47155%0.552SS.*Hα-helixtrans-60-45175.200000111.5L14 A15 S16 V21 E22L14-A18 VanDerWaalsContact O-CB 3.29Å; L14-A18 WeakPolarHBondContact O-CB 3.29Å; L14-A18 PolarHBondContact O-N 3.49Å; A15-A18 PolarHBondContact O-N 3.24Å; S16-A18 PolarHBondContact O-N 3.01Å; A18-V21 PolarHBondContact O-N 2.76Å; A18-E22 WeakPolarHBondContact O-CB 3.05Å; A18-E22 PolarHBondContact O-N 2.96Å
19H65.9Low71Confident123 Ų12399.5 Ų99.557%0.56955%0.548SS*.Hα-helixtrans-67.9-36.3176.1-73.2-54000112.9A15 S16 V17 E22 L23A15-H19 PolarHBondContact O-CD2 3.16Å; A15-H19 PolarHBondContact O-N 3.09Å; S16-H19 PolarHBondContact O-N 2.69Å; V17-H19 VanDerWaalsContact C-N 3.34Å; V17-H19 PolarHBondContact O-N 3.32Å; H19-E22 IonicContact ND1-OE2 3.36Å; H19-E22 PolarHBondContact O-N 3.01Å; H19-L23 WeakPolarHBondContact O-CB 3.29Å; H19-L23 PolarHBondContact O-N 2.96Å
20C61Low70.4Confident74 Ų7498.3 Ų98.350%0.554%0.538SS..Hα-helixtrans-64-43.4174-70.30000112.1S16 V17 E22 L23 E24S16-C20 WeakPolarHBondContact O-CB 3.48Å; S16-C20 PolarHBondContact O-N 3.38Å; S16-C20 PolarHBondContact O-SG 2.02Å; V17-C20 PolarHBondContact O-N 2.9Å; C20-E22 VanDerWaalsContact C-N 3.29Å; C20-E22 PolarHBondContact O-N 2.9Å; C20-L23 PolarHBondContact O-N 3.12Å; C20-E24 WeakPolarHBondContact O-CB 2.95Å; C20-E24 PolarHBondContact O-N 3.42Å
21V60.5Low69.9Low84 Ų8497.6 Ų97.651%0.50954%0.538SS..Hα-helixtrans-67.4-32175.1176.40000111.4V17 A18 V25V17-V21 HydrophobicContact CG1-CG2 4.39Å; V17-V21 WeakPolarHBondContact O-CG2 3.31Å; V17-V21 PolarHBondContact O-N 3.43Å; A18-V21 PolarHBondContact O-N 2.76Å; V21-V25 HydrophobicContact CG1-CG2 4Å; V21-V25 WeakPolarHBondContact O-CG2 3.22Å; V21-V25 PolarHBondContact O-N 2.97Å
22E57.6Low69.4Low128 Ų128102 Ų10260%0.59854%0.543SS*.Hα-helixtrans-70.6-37.7177.5-160.7160.9-147.100112.3A18 H19 C20 K30A18-E22 WeakPolarHBondContact O-CB 3.05Å; A18-E22 PolarHBondContact O-N 2.96Å; H19-E22 IonicContact ND1-OE2 3.36Å; H19-E22 PolarHBondContact O-N 3.01Å; C20-E22 VanDerWaalsContact C-N 3.29Å; C20-E22 PolarHBondContact O-N 2.9Å; E22-K30 PolarHBondContact O-NZ 3.02Å; E22-K30 VanDerWaalsContact O-NZ 3.08Å
23L55.8Low69.1Low165 Ų165102.4 Ų102.486%0.86454%0.539SS*.Hα-helixtrans-80.9-33.8-178.8-144.581000113.8H19 C20H19-L23 WeakPolarHBondContact O-CB 3.29Å; H19-L23 PolarHBondContact O-N 2.96Å; C20-L23 PolarHBondContact O-N 3.12Å
24E56.5Low68.6Low167 Ų167100.8 Ų100.878%0.7854%0.537SS*.Hα-helixtrans-96.3-15.7-169.9-162.4167.3-16600114C20 N26C20-E24 WeakPolarHBondContact O-CB 2.95Å; C20-E24 PolarHBondContact O-N 3.42Å; E24-N26 PolarHBondContact O-N 2.88Å; E24-N26 VanDerWaalsContact O-N 3.11Å
25V58.7Low68.3Low46 Ų46100.7 Ų100.728%0.27954%0.536SS..SBendtrans-86.996.2178.3-172.20000109.7V21 L29 K30V21-V25 HydrophobicContact CG1-CG2 4Å; V21-V25 WeakPolarHBondContact O-CG2 3.22Å; V21-V25 PolarHBondContact O-N 2.97Å; V25-L29 HydrophobicContact CG1-CB 4.48Å; V25-K30 HydrophobicContact CB-CD 4.36Å; V25-K30 VanDerWaalsContact CB-CE 3.41Å; V25-K30 HydrophobicContact CB-CG 3.98Å; V25-K30 HydrophobicContact CG1-CB 4.45Å; V25-K30 HydrophobicContact CG1-CD 4.22Å; V25-K30 HydrophobicContact CG1-CG 3.32Å; V25-K30 VanDerWaalsContact O-CE 3.26Å; V25-K30 WeakPolarHBondContact O-CE 3.46Å
26N63.8Low68.2Low88 Ų88104.3 Ų104.347%0.47154%0.539SS..  trans-40.1124.8172.9-163.5-31.4000110.5E24 E28 L29 K30E24-N26 PolarHBondContact O-N 2.88Å; E24-N26 VanDerWaalsContact O-N 3.11Å; N26-E28 PolarHBondContact O-N 3.27Å; N26-L29 HydrophobicContact CB-CD1 4.15Å; N26-L29 HydrophobicContact CB-CG 4.24Å; N26-L29 WeakPolarHBondContact O-CA 3.43Å; N26-L29 WeakPolarHBondContact O-CB 3.09Å; N26-L29 PolarHBondContact O-N 3.4Å; N26-K30 PolarHBondContact O-N 3.23Å; N26-K30 VanDerWaalsContact O-N 3.17Å
27P67.7Low68Low87 Ų87106.4 Ų106.457%0.56555%0.545SS*.Hα-helixtrans-57.7-24.5-170.921.5-35.1000113.4K31P27-K31 WeakPolarHBondContact O-CG 3.26Å; P27-K31 PolarHBondContact O-N 3.37Å; P27-K31 VanDerWaalsContact O-N 3.15Å
28E67.4Low68Low123 Ų123104.1 Ų104.158%0.57554%0.539SS*.Hα-helixtrans-69.1-38.7173.4-61.2-161.8163.900113.1N26 K31 R32N26-E28 PolarHBondContact O-N 3.27Å; E28-K31 PolarHBondContact O-N 2.98Å; E28-R32 WeakPolarHBondContact O-CG 3.47Å; E28-R32 PolarHBondContact O-N 3.34Å
29L66.6Low67.9Low93 Ų93103.6 Ų103.649%0.48753%0.532SS..Hα-helixtrans-71.2-37.8176.3-63.4178.2000110.9V25 N26 K31 R32 L33V25-L29 HydrophobicContact CG1-CB 4.48Å; N26-L29 HydrophobicContact CB-CD1 4.15Å; N26-L29 HydrophobicContact CB-CG 4.24Å; N26-L29 WeakPolarHBondContact O-CA 3.43Å; N26-L29 WeakPolarHBondContact O-CB 3.09Å; N26-L29 PolarHBondContact O-N 3.4Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 2.94Å; L29-R32 PolarHBondContact O-N 3.38Å; L29-L33 VanDerWaalsContact O-CB 3.29Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.28Å
30K73.3Confident67.9Low84 Ų84103.5 Ų103.537%0.36553%0.527SS..Hα-helixtrans-57.3-45.9171.5-67.9-167.7-177.3171.20111.3E22 V25 N26 S34E22-K30 PolarHBondContact O-NZ 3.02Å; E22-K30 VanDerWaalsContact O-NZ 3.08Å; V25-K30 HydrophobicContact CB-CD 4.36Å; V25-K30 VanDerWaalsContact CB-CE 3.41Å; V25-K30 HydrophobicContact CB-CG 3.98Å; V25-K30 HydrophobicContact CG1-CB 4.45Å; V25-K30 HydrophobicContact CG1-CD 4.22Å; V25-K30 HydrophobicContact CG1-CG 3.32Å; V25-K30 VanDerWaalsContact O-CE 3.26Å; V25-K30 WeakPolarHBondContact O-CE 3.46Å; N26-K30 PolarHBondContact O-N 3.23Å; N26-K30 VanDerWaalsContact O-N 3.17Å; K30-S34 VanDerWaalsContact O-CB 3.29Å; K30-S34 WeakPolarHBondContact O-CB 3.49Å; K30-S34 PolarHBondContact O-N 3.47Å; K30-S34 PolarHBondContact O-OG 3.34Å; K30-S34 VanDerWaalsContact O-OG 3.11Å
31K76.6Confident67.9Low142 Ų142106.3 Ų106.362%0.61754%0.536SS*.Hα-helixtrans-64.3-43.6177.9-72.9175.2-176.1179.10112.1P27 E28 L29 S34 I35P27-K31 WeakPolarHBondContact O-CG 3.26Å; P27-K31 PolarHBondContact O-N 3.37Å; P27-K31 VanDerWaalsContact O-N 3.15Å; E28-K31 PolarHBondContact O-N 2.98Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 2.94Å; K31-S34 PolarHBondContact O-OG 2.91Å; K31-S34 VanDerWaalsContact O-OG 3.04Å; K31-I35 WeakPolarHBondContact O-CB 3.26Å; K31-I35 WeakPolarHBondContact O-CD1 3.45Å; K31-I35 WeakPolarHBondContact O-CG1 3.49Å; K31-I35 PolarHBondContact O-N 3.47Å
32R74.2Confident67.9Low174 Ų174111.5 Ų111.566%0.65755%0.547SS*.Hα-helixtrans-66.3-43178.4-72.5-179.7-176.4-166.14.9111.8E28 L29 W36E28-R32 WeakPolarHBondContact O-CG 3.47Å; E28-R32 PolarHBondContact O-N 3.34Å; L29-R32 PolarHBondContact O-N 3.38Å; R32-W36 VanDerWaalsContact O-CB 3.23Å; R32-W36 WeakPolarHBondContact O-CB 3.28Å; R32-W36 PolarHBondContact O-N 3.22Å
33L74.6Confident67.9Low94 Ų94111.5 Ų111.549%0.49254%0.541SS..Hα-helixtrans-68.1-39.1177.4-74.4172.5000112.2L29 W36 L37L29-L33 VanDerWaalsContact O-CB 3.29Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.28Å; L33-W36 PolarHBondContact O-N 2.95Å; L33-L37 VanDerWaalsContact O-CB 3.29Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 2.89Å; L33-L37 PolarHBondContact O-N 2.96Å
34S75.7Confident68Low71 Ų71107.5 Ų107.550%0.49752%0.521SS..Hα-helixtrans-68.8-39.9177.867.40000112.4K30 K31 W36 G38K30-S34 VanDerWaalsContact O-CB 3.29Å; K30-S34 WeakPolarHBondContact O-CB 3.49Å; K30-S34 PolarHBondContact O-N 3.47Å; K30-S34 PolarHBondContact O-OG 3.34Å; K30-S34 VanDerWaalsContact O-OG 3.11Å; K31-S34 PolarHBondContact O-OG 2.91Å; K31-S34 VanDerWaalsContact O-OG 3.04Å; S34-W36 VanDerWaalsContact C-N 3.34Å; S34-G38 PolarHBondContact O-N 2.66Å
35I76.3Confident68Low124 Ų124105.6 Ų105.664%0.63652%0.515SS*.Hα-helixtrans-63.1-43.5172.2-67165.5000110.1K31 S39K31-I35 WeakPolarHBondContact O-CB 3.26Å; K31-I35 WeakPolarHBondContact O-CD1 3.45Å; K31-I35 WeakPolarHBondContact O-CG1 3.49Å; K31-I35 PolarHBondContact O-N 3.47Å; I35-S39 WeakPolarHBondContact O-CB 3.28Å; I35-S39 PolarHBondContact O-N 3.1Å
36W77.7Confident67.9Low123 Ų123109.8 Ų109.847%0.46653%0.532SS..Hα-helixtrans-65.4-48.7179.4-177.584.1000112.2R32 L33 S34 S39 R40R32-W36 VanDerWaalsContact O-CB 3.23Å; R32-W36 WeakPolarHBondContact O-CB 3.28Å; R32-W36 PolarHBondContact O-N 3.22Å; L33-W36 PolarHBondContact O-N 2.95Å; S34-W36 VanDerWaalsContact C-N 3.34Å; W36-S39 PolarHBondContact O-N 3.39Å; W36-S39 PolarHBondContact O-OG 3.49Å; W36-R40 PolarHBondContact O-N 3.32Å; W36-R40 VanDerWaalsContact O-N 3.08Å
37L73.1Confident67.5Low101 Ų101109 Ų10953%0.52953%0.53SS..Hα-helixtrans-62.4-44.7176.2-73.9173.5000111.6L33 S39 R40 L41L33-L37 VanDerWaalsContact O-CB 3.29Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 2.89Å; L33-L37 PolarHBondContact O-N 2.96Å; L37-S39 VanDerWaalsContact C-N 3.31Å; L37-S39 PolarHBondContact O-N 3.22Å; L37-R40 PolarHBondContact O-N 2.87Å; L37-R40 VanDerWaalsContact O-N 3.13Å; L37-L41 WeakPolarHBondContact O-CB 3.21Å; L37-L41 PolarHBondContact O-N 3.24Å
38G73.3Confident67Low38 Ų38108.2 Ų108.239%0.39252%0.523SS..Hα-helixtrans-61.2-38.7176.300000112.7S34 R40 R42S34-G38 PolarHBondContact O-N 2.66Å; G38-R40 VanDerWaalsContact C-N 3.32Å; G38-R40 PolarHBondContact O-N 3.41Å; G38-R42 PolarHBondContact O-N 3.16Å
39S69Low66.4Low47 Ų47105 Ų10533%0.32952%0.518SS..Hα-helixtrans-68.8-29.5175.882.10000113.3I35 W36 L37 R43I35-S39 WeakPolarHBondContact O-CB 3.28Å; I35-S39 PolarHBondContact O-N 3.1Å; W36-S39 PolarHBondContact O-N 3.39Å; W36-S39 PolarHBondContact O-OG 3.49Å; L37-S39 VanDerWaalsContact C-N 3.31Å; L37-S39 PolarHBondContact O-N 3.22Å; S39-R43 PolarHBondContact O-NE 3.07Å; S39-R43 PolarHBondContact O-NH2 3.03Å; S39-R43 PolarHBondContact OG-NH2 2.91Å; S39-R43 VanDerWaalsContact OG-NH2 3.14Å
40R65.7Low65.7Low121 Ų121105 Ų10546%0.45752%0.522SS..Hα-helixtrans-82.1-44.2-178.3-156.3175.2-171.8-173.41.3110.9W36 L37 G38 R42 R43 D44W36-R40 PolarHBondContact O-N 3.32Å; W36-R40 VanDerWaalsContact O-N 3.08Å; L37-R40 PolarHBondContact O-N 2.87Å; L37-R40 VanDerWaalsContact O-N 3.13Å; G38-R40 VanDerWaalsContact C-N 3.32Å; G38-R40 PolarHBondContact O-N 3.41Å; R40-R42 VanDerWaalsContact C-N 3.31Å; R40-R42 PolarHBondContact O-N 2.91Å; R40-R43 PolarHBondContact O-N 2.86Å; R40-D44 PolarHBondContact O-N 3.08Å
41L62.4Low64.6Low132 Ų132107.3 Ų107.369%0.69153%0.534SS*.Hα-helixtrans-59.8-39.3176.5-160.599.9000112.4L37 R43 D44 L45L37-L41 WeakPolarHBondContact O-CB 3.21Å; L37-L41 PolarHBondContact O-N 3.24Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 PolarHBondContact O-N 2.73Å; L41-D44 PolarHBondContact O-N 3.48Å; L41-L45 PolarHBondContact O-N 3.13Å
42R60.2Low63.4Low194 Ų194108.5 Ų108.573%0.73254%0.539SS*.Hα-helixtrans-60.4-41.4174.2-89.9-175.8155.4-170.4-6.4112.7G38 R40 E46G38-R42 PolarHBondContact O-N 3.16Å; R40-R42 VanDerWaalsContact C-N 3.31Å; R40-R42 PolarHBondContact O-N 2.91Å; R42-E46 WeakPolarHBondContact O-CG 3.46Å; R42-E46 PolarHBondContact O-N 3.48Å
43R57.7Low62.1Low128 Ų128104.6 Ų104.648%0.48353%0.534SS..Hα-helixtrans-70.8-37178.6-74.5178.5-83.4131.6-10.5112S39 R40 L41 T47S39-R43 PolarHBondContact O-NE 3.07Å; S39-R43 PolarHBondContact O-NH2 3.03Å; S39-R43 PolarHBondContact OG-NH2 2.91Å; S39-R43 VanDerWaalsContact OG-NH2 3.14Å; R40-R43 PolarHBondContact O-N 2.86Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 PolarHBondContact O-N 2.73Å; R43-T47 WeakPolarHBondContact O-CB 3.29Å; R43-T47 WeakPolarHBondContact O-CG2 3.35Å; R43-T47 PolarHBondContact O-N 3.39Å; R43-T47 PolarHBondContact O-OG1 3.02Å
44D56.7Low60.8Low81 Ų81103.5 Ų103.543%0.43354%0.539SS..Hα-helixtrans-73.5-34.8-178.9-62.4-21.7000111.5R40 L41 T47 V48R40-D44 PolarHBondContact O-N 3.08Å; L41-D44 PolarHBondContact O-N 3.48Å; D44-T47 VanDerWaalsContact CA-OG1 3.31Å; D44-T47 WeakPolarHBondContact CA-OG1 3.29Å; D44-T47 PolarHBondContact O-OG1 3.37Å; D44-V48 WeakPolarHBondContact O-CB 3.49Å; D44-V48 WeakPolarHBondContact O-CG2 3.31Å; D44-V48 PolarHBondContact O-N 3.44Å
45L57.9Low59.3Low126 Ų126109.7 Ų109.766%0.6656%0.557SS**Hα-helixtrans-68.3-41.1173.8-170.667.3000112.4L41 A49L41-L45 PolarHBondContact O-N 3.13Å; L45-A49 VanDerWaalsContact O-CB 3.29Å; L45-A49 WeakPolarHBondContact O-CB 3.37Å; L45-A49 PolarHBondContact O-N 3.09Å
46E55.4Low58.1Low135 Ų135108.3 Ų108.363%0.63156%0.558SS**Hα-helixtrans-66.5-40175.7-75.9-178.3179.600111.8R42 A49 V50R42-E46 WeakPolarHBondContact O-CG 3.46Å; R42-E46 PolarHBondContact O-N 3.48Å; E46-A49 PolarHBondContact O-N 2.94Å; E46-V50 WeakPolarHBondContact O-CB 3.36Å; E46-V50 WeakPolarHBondContact O-CG2 3.34Å; E46-V50 PolarHBondContact O-N 2.85Å
47T55.8Low56.7Low71 Ų71110 Ų11044%0.43657%0.572SS.*Hα-helixtrans-70.5-36.5177.752.30000112.9R43 D44 V50 Q51R43-T47 WeakPolarHBondContact O-CB 3.29Å; R43-T47 WeakPolarHBondContact O-CG2 3.35Å; R43-T47 PolarHBondContact O-N 3.39Å; R43-T47 PolarHBondContact O-OG1 3.02Å; D44-T47 VanDerWaalsContact CA-OG1 3.31Å; D44-T47 WeakPolarHBondContact CA-OG1 3.29Å; D44-T47 PolarHBondContact O-OG1 3.37Å; T47-V50 PolarHBondContact O-N 3.05Å; T47-Q51 WeakPolarHBondContact O-CB 3.23Å; T47-Q51 WeakPolarHBondContact O-CG 3.33Å; T47-Q51 PolarHBondContact O-N 3.3Å
48V56.8Low55.8Low71 Ų71112.5 Ų112.543%0.4359%0.585SS.*Hα-helixtrans-70.7-35.2174.2172.60000111.5D44 Q51 K52D44-V48 WeakPolarHBondContact O-CB 3.49Å; D44-V48 WeakPolarHBondContact O-CG2 3.31Å; D44-V48 PolarHBondContact O-N 3.44Å; V48-Q51 PolarHBondContact O-N 2.94Å; V48-K52 WeakPolarHBondContact O-CG 3.29Å; V48-K52 PolarHBondContact O-N 3.44Å; V48-K52 VanDerWaalsContact O-N 3.12Å
49A54.7Low54.9Low55 Ų55121 Ų12146%0.45561%0.612SS.*Hα-helixtrans-65.1-43.1171.900000111.8L45 E46 K52 T53L45-A49 VanDerWaalsContact O-CB 3.29Å; L45-A49 WeakPolarHBondContact O-CB 3.37Å; L45-A49 PolarHBondContact O-N 3.09Å; E46-A49 PolarHBondContact O-N 2.94Å; A49-K52 PolarHBondContact O-N 3.42Å; A49-T53 PolarHBondContact O-N 2.92Å
50V52.9Low54Low94 Ų94123.6 Ų123.657%0.5763%0.626SS**Hα-helixtrans-68.1-32.8175.7169.80000112.3E46 T47 T53 A54E46-V50 WeakPolarHBondContact O-CB 3.36Å; E46-V50 WeakPolarHBondContact O-CG2 3.34Å; E46-V50 PolarHBondContact O-N 2.85Å; T47-V50 PolarHBondContact O-N 3.05Å; V50-T53 PolarHBondContact O-N 3.5Å; V50-T53 PolarHBondContact O-OG1 3.47Å; V50-A54 WeakPolarHBondContact O-CB 3.19Å; V50-A54 PolarHBondContact O-N 3.09Å; V50-A54 VanDerWaalsContact O-N 3.13Å
51Q50.4Low53.4Low132 Ų132125 Ų12562%0.61763%0.631SS**Hα-helixtrans-72.6-31175.8-83.1-178.611.200113.4T47 V48 T53 A54T47-Q51 WeakPolarHBondContact O-CB 3.23Å; T47-Q51 WeakPolarHBondContact O-CG 3.33Å; T47-Q51 PolarHBondContact O-N 3.3Å; V48-Q51 PolarHBondContact O-N 2.94Å; Q51-T53 VanDerWaalsContact C-N 3.3Å; Q51-A54 PolarHBondContact O-N 3.07Å
52K51.5Low53.1Low167 Ų167123.5 Ų123.573%0.72663%0.629SS**Hα-helixtrans-68.9-29.2174.7-77.4-178.2179.1-178.20112.2V48 A49V48-K52 WeakPolarHBondContact O-CG 3.29Å; V48-K52 PolarHBondContact O-N 3.44Å; V48-K52 VanDerWaalsContact O-N 3.12Å; A49-K52 PolarHBondContact O-N 3.42Å
53T46.2Very low52.9Low91 Ų91118.4 Ų118.456%0.55861%0.614SS**Hα-helixtrans-83.5-22.9174.455.40000113.2A49 V50 Q51A49-T53 PolarHBondContact O-N 2.92Å; V50-T53 PolarHBondContact O-N 3.5Å; V50-T53 PolarHBondContact O-OG1 3.47Å; Q51-T53 VanDerWaalsContact C-N 3.3Å
54A46.8Very low52.7Low71 Ų71118.1 Ų118.159%0.58762%0.621SS**Hα-helixtrans-81.4-11-176.400000115.3V50 Q51V50-A54 WeakPolarHBondContact O-CB 3.19Å; V50-A54 PolarHBondContact O-N 3.09Å; V50-A54 VanDerWaalsContact O-N 3.13Å; Q51-A54 PolarHBondContact O-N 3.07Å
55K44.5Very low52.7Low201 Ų201119.5 Ų119.587%0.87463%0.628SS**THydrogen-bonded Turntrans-86.6-3.7-178.5-88.6-176.1176.21790114.9
56S52.3Low52.4Low96 Ų96124.3 Ų124.367%0.67164%0.637SS**SBendtrans-1259-172.560.90000116.2
57E47.8Very low51.9Low159 Ų159124 Ų12474%0.74364%0.64SS**SBendtrans-126.3130.9179.3-72.5-174.716600112.2
58N53.1Low51.6Low152 Ų152127.9 Ų127.981%0.81366%0.656SS**  trans-48145.2-175.2-68.6-50.2000112.5V60N58-V60 CarbonylContact O-C 3.39Å; N58-V60 PolarHBondContact O-N 3.47Å
59F55.1Low51.3Low217 Ų217131.8 Ų131.895%0.95267%0.674SS**SBendtrans-63.47.8-174.8-139.3-96.2000115.3
60V49.4Very low51.1Low102 Ų102135.9 Ų135.962%0.61869%0.687SS**SBendtrans-130.9109.7171.9-177.70000106.9N58N58-V60 CarbonylContact O-C 3.39Å; N58-V60 PolarHBondContact O-N 3.47Å
61R54.4Low50.7Low149 Ų149137.4 Ų137.456%0.56270%0.7SS**  trans-72.3136.1174.7-115.1-171.4123.8-166.2-3.3108.4E63 D64R61-E63 HydrophobicContact CB-CB 4.5Å; R61-E63 WeakPolarHBondContact CB-OE2 3.33Å; R61-E63 WeakPolarHBondContact CD-OE2 3.48Å; R61-E63 WeakPolarHBondContact CG-OE2 3.22Å; R61-E63 IonicContact CZ-OE1 3.82Å; R61-E63 IonicContact CZ-OE2 2.72Å; R61-E63 IonicContact NE-OE1 3.6Å; R61-E63 PolarHBondContact NE-OE1 3.31Å; R61-E63 VanDerWaalsContact NE-OE1 3.09Å; R61-E63 IonicContact NE-OE2 3.64Å; R61-E63 PolarHBondContact NE-OE2 2.69Å; R61-E63 VanDerWaalsContact NH2-CD 3.34Å; R61-E63 IonicContact NH2-OE1 2.85Å; R61-E63 PolarHBondContact NH2-OE1 2.8Å; R61-E63 IonicContact NH2-OE2 3.92Å; R61-E63 PolarHBondContact O-N 2.9Å; R61-D64 PolarHBondContact O-N 3.01Å
62P55.7Low50.6Low102 Ų102138.6 Ų138.666%0.66271%0.705SS**G310 helixtrans-57.5-17.1173.222.7-31.5000113.1D64 I65P62-D64 VanDerWaalsContact C-N 3.32Å; P62-D64 PolarHBondContact O-N 2.99Å; P62-I65 PolarHBondContact O-N 2.93Å
63E55.2Low50.8Low87 Ų87136.7 Ų136.741%0.40771%0.712SS.*G310 helixtrans-72.9-15174.1-59.485.9160.800114.8R61 I65R61-E63 HydrophobicContact CB-CB 4.5Å; R61-E63 WeakPolarHBondContact CB-OE2 3.33Å; R61-E63 WeakPolarHBondContact CD-OE2 3.48Å; R61-E63 WeakPolarHBondContact CG-OE2 3.22Å; R61-E63 IonicContact CZ-OE1 3.82Å; R61-E63 IonicContact CZ-OE2 2.72Å; R61-E63 IonicContact NE-OE1 3.6Å; R61-E63 PolarHBondContact NE-OE1 3.31Å; R61-E63 VanDerWaalsContact NE-OE1 3.09Å; R61-E63 IonicContact NE-OE2 3.64Å; R61-E63 PolarHBondContact NE-OE2 2.69Å; R61-E63 VanDerWaalsContact NH2-CD 3.34Å; R61-E63 IonicContact NH2-OE1 2.85Å; R61-E63 PolarHBondContact NH2-OE1 2.8Å; R61-E63 IonicContact NH2-OE2 3.92Å; R61-E63 PolarHBondContact O-N 2.9Å; E63-I65 VanDerWaalsContact C-N 3.28Å
64D54.5Low51Low121 Ų121137 Ų13765%0.64772%0.719SS**G310 helixtrans-81.6-11.2175.7-69.5-34.7000112.4R61 P62 R66R61-D64 PolarHBondContact O-N 3.01Å; P62-D64 VanDerWaalsContact C-N 3.32Å; P62-D64 PolarHBondContact O-N 2.99Å; D64-R66 PolarHBondContact O-N 2.68Å
65I56.5Low51.2Low110 Ų110140 Ų14056%0.56473%0.73SS**SBendtrans-85.8105.7169.3-53.8173.4000106.6P62 E63 D67P62-I65 PolarHBondContact O-N 2.93Å; E63-I65 VanDerWaalsContact C-N 3.28Å; I65-D67 VanDerWaalsContact C-N 3.3Å; I65-D67 PolarHBondContact O-N 3.03Å
66R52.3Low51.5Low228 Ų228138.1 Ų138.186%0.8673%0.729SS**  trans-6887.9177.8-68.2-175.4-143.4-147.32.3110.6D64 I68D64-R66 PolarHBondContact O-N 2.68Å; R66-I68 PolarHBondContact O-N 2.83Å
67D43.3Very low51.4Low129 Ų129140 Ų14069%0.6973%0.73SS**  trans-77.2105.4162.3-79.7-18.3000108.9I65 L69I65-D67 VanDerWaalsContact C-N 3.3Å; I65-D67 PolarHBondContact O-N 3.03Å; D67-L69 PolarHBondContact O-N 3.14Å
68I50.3Low51.7Low152 Ų152142 Ų14278%0.77974%0.736SS**THydrogen-bonded Turntrans-65.7-2.1-173.1-70.5170.2000113.1R66R66-I68 PolarHBondContact O-N 2.83Å
69L51.4Low51.5Low152 Ų152140.6 Ų140.680%0.79673%0.728SS**THydrogen-bonded Turntrans-130.45.8-159.4-64177.3000118D67D67-L69 PolarHBondContact O-N 3.14Å
70L48.5Very low51.3Low141 Ų141140.4 Ų140.474%0.73872%0.721SS**  trans-136132.4176.5-68.5171.8000113.9H72L70-H72 PolarHBondContact O-N 2.74Å
71P46.3Very low51.4Low127 Ų127140.4 Ų140.483%0.82572%0.721SS**  trans-79.5109.6176.730.5-29.7000110.3S73P71-S73 PolarHBondContact O-N 2.78Å
72H46.8Very low51.1Low157 Ų157143.1 Ų143.173%0.72774%0.737SS**  trans-67.3129.2172.2-76.6-56.4000112.2L70 S74L70-H72 PolarHBondContact O-N 2.74Å; H72-S74 PolarHBondContact O-N 3.29Å
73S57.3Low51Low126 Ų126147.8 Ų147.888%0.88174%0.741SS**  trans-77.290.2166.2164.80000109.3P71P71-S73 PolarHBondContact O-N 2.78Å
74S50.2Low51.2Low99 Ų99148.8 Ų148.869%0.69276%0.758SS**  trans-93.6134.1173.363.80000111.9H72H72-S74 PolarHBondContact O-N 3.29Å
75T50.6Low51.4Low134 Ų134148.2 Ų148.282%0.82277%0.77SS**  trans-58.5131.2-178.643.30000115.1I77T75-I77 PolarHBondContact O-N 3.33Å; T75-I77 VanDerWaalsContact O-N 3.1Å
76D50.1Low52Low161 Ų161145.1 Ų145.186%0.86177%0.765SS**SBendtrans54.822.5143.2-116.68.8000122.9
77I50.8Low53.2Low136 Ų136137.5 Ų137.570%0.69775%0.746SS**  trans-105.5117147.1-58.3172.3000105.2T75 I79T75-I77 PolarHBondContact O-N 3.33Å; T75-I77 VanDerWaalsContact O-N 3.1Å; I77-I79 HydrophobicContact CB-CG1 4.29Å; I77-I79 HydrophobicContact CG2-CG1 3.82Å; I77-I79 PolarHBondContact O-N 2.94Å
78K52.9Low54.6Low199 Ų199136.3 Ų136.387%0.86575%0.754SS**  trans-67.262.1170.7-69.3-179.1-176.8174.50109.8R80K78-R80 VanDerWaalsContact C-N 3.26Å; K78-R80 PolarHBondContact O-N 3.05Å
79I50.6Low56.1Low124 Ų124134.8 Ų134.864%0.63675%0.747SS**  trans-58.6104.1153.6-58.1176.1000102.7I77 T81I77-I79 HydrophobicContact CB-CG1 4.29Å; I77-I79 HydrophobicContact CG2-CG1 3.82Å; I77-I79 PolarHBondContact O-N 2.94Å; I79-T81 PolarHBondContact O-N 2.86Å
80R50.8Low57.3Low212 Ų212130.7 Ų130.780%0.874%0.742SS**  trans-59.689.4166.3179.8-177.6178.692.4-2.8105K78 K82K78-R80 VanDerWaalsContact C-N 3.26Å; K78-R80 PolarHBondContact O-N 3.05Å; R80-K82 PolarHBondContact O-N 2.84Å
81T50.4Low59Low103 Ų103129.4 Ų129.463%0.63274%0.74SS**  trans-50.9120.9164.745.20000103.9I79 R83I79-T81 PolarHBondContact O-N 2.86Å; T81-R83 PolarHBondContact O-N 3.29Å
82K48.2Very low60.8Low205 Ų205124 Ų12489%0.89171%0.705SS**  trans-62.792175.4-155.3-173.2-171.2-172.70103.2R80 S84R80-K82 PolarHBondContact O-N 2.84Å; K82-S84 PolarHBondContact O-N 3.46Å
83R54.2Low62.5Low201 Ų201119.9 Ų119.976%0.75869%0.693SS**  trans-51.4115.9175.1-62.6-177.4-165.3133.8-0.5103.4T81 A85T81-R83 PolarHBondContact O-N 3.29Å; R83-A85 PolarHBondContact O-N 3.44Å
84S58.7Low64Low108 Ų108118.6 Ų118.676%0.75568%0.68SS**  trans-55101.5155.145.80000103.3K82 G86K82-S84 PolarHBondContact O-N 3.46Å; S84-G86 PolarHBondContact O-N 2.92Å
85A59.2Low65.7Low109 Ų109120.8 Ų120.890%0.90168%0.679SS**  trans-73.663.4-178.400000107.5R83R83-A85 PolarHBondContact O-N 3.44Å
86G69.9Low67.4Low44 Ų44116.4 Ų116.445%0.45465%0.652SS.*SBendtrans-152.2140.2-169.700000109.3S84S84-G86 PolarHBondContact O-N 2.92Å
87C76Confident69.1Low69 Ų69114 Ų11447%0.46664%0.639SS.*  trans-64.2137.4177161.60000110.3C92C87-C92 HydrophobicContact CB-CB 3.6Å; C87-C92 WeakPolarHBondContact CB-SG 3.16Å; C87-C92 PolarHBondContact O-SG 3.2Å; C87-C92 WeakPolarHBondContact SG-CB 3.35Å; C87-C92 CovalentContact SG-SG 2.02Å; C87-C92 PolarHBondContact SG-SG 2.94Å
88A74.3Confident70.9Confident104 Ų104110.1 Ų110.186%0.8663%0.627SS**  trans-101.75.3-177.100000113.5
89L80.8Confident72.5Confident119 Ų119106.1 Ų106.162%0.62361%0.611SS**SBendtrans-80144.4177.5-58.5173.4000110.1T91 C92L89-T91 WeakPolarHBondContact CB-OG1 3.49Å; L89-T91 PolarHBondContact O-N 3.24Å; L89-T91 VanDerWaalsContact O-N 3.09Å; L89-C92 PolarHBondContact N-SG 3.37Å; L89-C92 VanDerWaalsContact N-SG 3.42Å; L89-C92 PolarHBondContact O-N 3.28Å; L89-C92 VanDerWaalsContact O-N 3.12Å; L89-C92 PolarHBondContact O-SG 2.86Å
90G76.9Confident74.1Confident67 Ų67107.4 Ų107.469%0.69161%0.608SS**G310 helixtrans-56.9-28.5175.500000113.2C92 S93G90-C92 VanDerWaalsContact C-N 3.32Å; G90-C92 PolarHBondContact O-N 2.86Å; G90-S93 VanDerWaalsContact O-CB 3.29Å; G90-S93 WeakPolarHBondContact O-CB 3.06Å; G90-S93 PolarHBondContact O-N 3.35Å; G90-S93 PolarHBondContact O-OG 2.89Å
91T84.7Confident75.9Confident113 Ų113100.9 Ų100.969%0.69359%0.592SS**G310 helixtrans-67.5-25.6179.854.70000114.2L89L89-T91 WeakPolarHBondContact CB-OG1 3.49Å; L89-T91 PolarHBondContact O-N 3.24Å; L89-T91 VanDerWaalsContact O-N 3.09Å
92C83Confident77.4Confident14 Ų14100.4 Ų100.410%0.09558%0.582CS.*G310 helixtrans-95.21.9179.955.20000113.5C87 L89 G90 V94 H95 V96C87-C92 HydrophobicContact CB-CB 3.6Å; C87-C92 WeakPolarHBondContact CB-SG 3.16Å; C87-C92 PolarHBondContact O-SG 3.2Å; C87-C92 WeakPolarHBondContact SG-CB 3.35Å; C87-C92 CovalentContact SG-SG 2.02Å; C87-C92 PolarHBondContact SG-SG 2.94Å; L89-C92 PolarHBondContact N-SG 3.37Å; L89-C92 VanDerWaalsContact N-SG 3.42Å; L89-C92 PolarHBondContact O-N 3.28Å; L89-C92 VanDerWaalsContact O-N 3.12Å; L89-C92 PolarHBondContact O-SG 2.86Å; G90-C92 VanDerWaalsContact C-N 3.32Å; G90-C92 PolarHBondContact O-N 2.86Å; C92-V94 VanDerWaalsContact C-N 3.3Å; C92-V94 PolarHBondContact O-N 3.04Å; C92-H95 PolarHBondContact O-N 3.11Å; C92-H95 VanDerWaalsContact O-N 3.16Å; C92-V96 WeakPolarHBondContact O-CG2 3.34Å; C92-V96 PolarHBondContact O-N 3.44Å
93S82.6Confident79Confident70 Ų7094.8 Ų94.849%0.4956%0.559SS.*Hα-helixtrans-53.3-44.7176.257.80000112.7G90 V96 L97G90-S93 VanDerWaalsContact O-CB 3.29Å; G90-S93 WeakPolarHBondContact O-CB 3.06Å; G90-S93 PolarHBondContact O-N 3.35Å; G90-S93 PolarHBondContact O-OG 2.89Å; S93-V96 PolarHBondContact O-N 3.12Å; S93-L97 VanDerWaalsContact O-CB 3.28Å; S93-L97 WeakPolarHBondContact O-CB 3.42Å; S93-L97 PolarHBondContact O-N 3.38Å
94V87.9Confident80.2Confident99 Ų9991.8 Ų91.860%0.655%0.552SS**Hα-helixtrans-64.6-42.5178.8179.90000111.5C92 L97 A98C92-V94 VanDerWaalsContact C-N 3.3Å; C92-V94 PolarHBondContact O-N 3.04Å; V94-L97 PolarHBondContact O-N 3.08Å; V94-A98 WeakPolarHBondContact O-CB 3.35Å; V94-A98 PolarHBondContact O-N 3.03Å
95H87Confident81.1Confident145 Ų14593 Ų9367%0.67154%0.544SS*.Hα-helixtrans-68.2-39.9179.2-69.485.7000111.8C92 L97 H99C92-H95 PolarHBondContact O-N 3.11Å; C92-H95 VanDerWaalsContact O-N 3.16Å; H95-L97 VanDerWaalsContact C-N 3.34Å; H95-H99 WeakPolarHBondContact O-CB 3.29Å; H95-H99 PolarHBondContact O-N 3.43Å
96V85.3Confident81.6Confident42 Ų4290.9 Ų90.926%0.25552%0.517SS..Hα-helixtrans-64.5-41173.7172.30000110.8C92 S93 R100C92-V96 WeakPolarHBondContact O-CG2 3.34Å; C92-V96 PolarHBondContact O-N 3.44Å; S93-V96 PolarHBondContact O-N 3.12Å; V96-R100 WeakPolarHBondContact O-CB 3.34Å; V96-R100 VanDerWaalsContact O-CG 3.31Å; V96-R100 WeakPolarHBondContact O-CG 3.26Å; V96-R100 PolarHBondContact O-N 3.15Å
97L87.5Confident81.2Confident110 Ų11092.7 Ų92.758%0.57652%0.516SS*.Hα-helixtrans-65.6-48.1177.4-175.5139.2000111.4S93 V94 H95 H99 R100 V101S93-L97 VanDerWaalsContact O-CB 3.28Å; S93-L97 WeakPolarHBondContact O-CB 3.42Å; S93-L97 PolarHBondContact O-N 3.38Å; V94-L97 PolarHBondContact O-N 3.08Å; H95-L97 VanDerWaalsContact C-N 3.34Å; L97-H99 VanDerWaalsContact C-N 3.32Å; L97-H99 PolarHBondContact O-N 2.96Å; L97-R100 PolarHBondContact O-N 3.43Å; L97-R100 VanDerWaalsContact O-N 3.12Å; L97-V101 HydrophobicContact CD2-CG2 4.09Å; L97-V101 HydrophobicContact CG-CG2 4.45Å; L97-V101 WeakPolarHBondContact O-CG2 3.35Å; L97-V101 PolarHBondContact O-N 3.3Å
98A88.4Confident80.4Confident56 Ų5698.1 Ų98.146%0.46353%0.532SS..Hα-helixtrans-57-46.2177.200000111.6V94 R100 V101 Q102V94-A98 WeakPolarHBondContact O-CB 3.35Å; V94-A98 PolarHBondContact O-N 3.03Å; A98-R100 PolarHBondContact O-N 3Å; A98-V101 PolarHBondContact O-N 3.11Å; A98-Q102 PolarHBondContact O-N 3.16Å
99H86.1Confident79.6Confident114 Ų114100.1 Ų100.153%0.52853%0.528SS..Hα-helixtrans-61.5-42.7175.8176.7-104.8000112.4H95 L97 Q102 Q103H95-H99 WeakPolarHBondContact O-CB 3.29Å; H95-H99 PolarHBondContact O-N 3.43Å; L97-H99 VanDerWaalsContact C-N 3.32Å; L97-H99 PolarHBondContact O-N 2.96Å; H99-Q102 PolarHBondContact O-N 3Å; H99-Q103 PolarHBondContact CE1-NE2 2.99Å; H99-Q103 PolarHBondContact NE2-NE2 3.17Å; H99-Q103 WeakPolarHBondContact O-CG 3.38Å; H99-Q103 PolarHBondContact O-N 3.46Å
100R83.7Confident78.5Confident151 Ų151101.3 Ų101.357%0.5753%0.528SS*.Hα-helixtrans-65.1-42.8176.8-76.1177.4-177.1-178.33.4112.2V96 L97 A98 Q102 Q103 F104V96-R100 WeakPolarHBondContact O-CB 3.34Å; V96-R100 VanDerWaalsContact O-CG 3.31Å; V96-R100 WeakPolarHBondContact O-CG 3.26Å; V96-R100 PolarHBondContact O-N 3.15Å; L97-R100 PolarHBondContact O-N 3.43Å; L97-R100 VanDerWaalsContact O-N 3.12Å; A98-R100 PolarHBondContact O-N 3Å; R100-Q102 VanDerWaalsContact C-N 3.3Å; R100-Q102 PolarHBondContact O-N 3.33Å; R100-Q103 WeakPolarHBondContact O-CB 3.48Å; R100-Q103 PolarHBondContact O-N 2.92Å; R100-F104 HydrophobicContact CB-CE2 4.39Å; R100-F104 WeakPolarHBondContact O-CD2 3.5Å; R100-F104 PolarHBondContact O-N 3.44Å
101V88.1Confident77.5Confident75 Ų75104 Ų10446%0.45553%0.531SS..Hα-helixtrans-60.3-43.9177.8170.70000110.4L97 A98 F104 K105L97-V101 HydrophobicContact CD2-CG2 4.09Å; L97-V101 HydrophobicContact CG-CG2 4.45Å; L97-V101 WeakPolarHBondContact O-CG2 3.35Å; L97-V101 PolarHBondContact O-N 3.3Å; A98-V101 PolarHBondContact O-N 3.11Å; V101-F104 PolarHBondContact O-N 2.85Å; V101-K105 HydrophobicContact CG1-CD 4.43Å; V101-K105 WeakPolarHBondContact O-CG 3.46Å; V101-K105 PolarHBondContact O-N 2.81Å
102Q82.9Confident76.3Confident94 Ų94102.9 Ų102.944%0.43953%0.528SS..Hα-helixtrans-62.6-45176-174.758.525.900111.7A98 H99 R100 F104 K105 D106A98-Q102 PolarHBondContact O-N 3.16Å; H99-Q102 PolarHBondContact O-N 3Å; R100-Q102 VanDerWaalsContact C-N 3.3Å; R100-Q102 PolarHBondContact O-N 3.33Å; Q102-F104 VanDerWaalsContact C-N 3.31Å; Q102-F104 PolarHBondContact O-N 2.99Å; Q102-K105 PolarHBondContact O-N 3.39Å; Q102-K105 VanDerWaalsContact O-N 3.16Å; Q102-D106 PolarHBondContact NE2-OD1 3.01Å; Q102-D106 PolarHBondContact NE2-OD2 3.43Å; Q102-D106 VanDerWaalsContact O-CG 3.31Å; Q102-D106 PolarHBondContact O-N 3.36Å
103Q81.2Confident75.2Confident86 Ų86106.5 Ų106.540%0.40255%0.549SS..Hα-helixtrans-58.4-42.1174.4-74.3-173.5-12.800112.5H99 R100 K105 D106 N107H99-Q103 PolarHBondContact CE1-NE2 2.99Å; H99-Q103 PolarHBondContact NE2-NE2 3.17Å; H99-Q103 WeakPolarHBondContact O-CG 3.38Å; H99-Q103 PolarHBondContact O-N 3.46Å; R100-Q103 WeakPolarHBondContact O-CB 3.48Å; R100-Q103 PolarHBondContact O-N 2.92Å; Q103-K105 VanDerWaalsContact C-N 3.35Å; Q103-D106 PolarHBondContact O-N 3.26Å; Q103-N107 WeakPolarHBondContact O-CB 3.12Å; Q103-N107 PolarHBondContact O-N 3.03Å; Q103-N107 PolarHBondContact O-ND2 2.99Å
104F79.8Confident74.3Confident139 Ų139106.5 Ų106.561%0.6155%0.548SS*.Hα-helixtrans-65.4-37.6177.1-77.3-63.2000112.3R100 V101 Q102 K108R100-F104 HydrophobicContact CB-CE2 4.39Å; R100-F104 WeakPolarHBondContact O-CD2 3.5Å; R100-F104 PolarHBondContact O-N 3.44Å; V101-F104 PolarHBondContact O-N 2.85Å; Q102-F104 VanDerWaalsContact C-N 3.31Å; Q102-F104 PolarHBondContact O-N 2.99Å; F104-K108 WeakPolarHBondContact O-CG 3.46Å; F104-K108 PolarHBondContact O-N 3.29Å
105K78.1Confident73Confident133 Ų133108.2 Ų108.258%0.57855%0.552SS**Hα-helixtrans-64-46.5173.8-71.3179.274-176.20111.5V101 Q102 Q103 N107 K108V101-K105 HydrophobicContact CG1-CD 4.43Å; V101-K105 WeakPolarHBondContact O-CG 3.46Å; V101-K105 PolarHBondContact O-N 2.81Å; Q102-K105 PolarHBondContact O-N 3.39Å; Q102-K105 VanDerWaalsContact O-N 3.16Å; Q103-K105 VanDerWaalsContact C-N 3.35Å; K105-N107 VanDerWaalsContact C-N 3.35Å; K105-N107 PolarHBondContact O-N 3.06Å; K105-K108 PolarHBondContact O-N 3.37Å
106D68.3Low71.7Confident64 Ų64107.9 Ų107.934%0.34256%0.555SS.*Hα-helixtrans-69.5-33-180-64.8-21.6000112.3Q102 Q103 L109 K110Q102-D106 PolarHBondContact NE2-OD1 3.01Å; Q102-D106 PolarHBondContact NE2-OD2 3.43Å; Q102-D106 VanDerWaalsContact O-CG 3.31Å; Q102-D106 PolarHBondContact O-N 3.36Å; Q103-D106 PolarHBondContact O-N 3.26Å; D106-L109 PolarHBondContact O-N 2.9Å; D106-K110 WeakPolarHBondContact O-CG 3.33Å; D106-K110 PolarHBondContact O-N 3.19Å
107N63Low70.6Confident82 Ų82111.7 Ų111.744%0.43957%0.568SS.*Hα-helixtrans-78.9-26.7179.4-67.9-24.4000112.6Q103 K105 L109 K110Q103-N107 WeakPolarHBondContact O-CB 3.12Å; Q103-N107 PolarHBondContact O-N 3.03Å; Q103-N107 PolarHBondContact O-ND2 2.99Å; K105-N107 VanDerWaalsContact C-N 3.35Å; K105-N107 PolarHBondContact O-N 3.06Å; N107-L109 PolarHBondContact O-N 3.35Å; N107-K110 CarbonylContact O-C 3.59Å; N107-K110 PolarHBondContact O-N 3.48Å
108K59Low69.2Low183 Ų183113.4 Ų113.480%0.79658%0.575SS**Hα-helixtrans-62.2-28168.8-80.8-175.7179.6-166.90112.2F104 K105F104-K108 WeakPolarHBondContact O-CG 3.46Å; F104-K108 PolarHBondContact O-N 3.29Å; K105-K108 PolarHBondContact O-N 3.37Å
109L56.7Low68Low146 Ų146113 Ų11376%0.76457%0.568SS**Hα-helixtrans-82.4-20.6172.7-70.6163.7000112.9D106 N107 T111D106-L109 PolarHBondContact O-N 2.9Å; N107-L109 PolarHBondContact O-N 3.35Å; L109-T111 PolarHBondContact O-N 2.87Å
110K58Low66.8Low145 Ų145112.6 Ų112.663%0.6358%0.576SS**SBendtrans-94.172.2175.4-64.8171-172.9171.40109.2D106 N107 S112D106-K110 WeakPolarHBondContact O-CG 3.33Å; D106-K110 PolarHBondContact O-N 3.19Å; N107-K110 CarbonylContact O-C 3.59Å; N107-K110 PolarHBondContact O-N 3.48Å; K110-S112 PolarHBondContact O-N 2.81Å
111T55.4Low65.8Low123 Ų123113.6 Ų113.676%0.75559%0.587SS**  trans-43.8126.5165.5-480000108.7L109L109-T111 PolarHBondContact O-N 2.87Å
112S59.2Low64.8Low89 Ų89110.5 Ų110.562%0.62257%0.57SS**  trans-12.9131.7-179.3620000115.8K110 P114K110-S112 PolarHBondContact O-N 2.81Å; S112-P114 VanDerWaalsContact O-N 3.08Å
113V59.9Low63.9Low90 Ų90116.1 Ų116.155%0.54559%0.589SS.*  trans-37.9121.9163.8174.50000108.8I115 K117V113-I115 PolarHBondContact O-N 3.19Å; V113-K117 HydrophobicContact CG1-CB 3.68Å
114P63.8Low63Low71 Ų71115.6 Ų115.646%0.46161%0.607SS.*  trans-54.5136.8-174.614.8-26.9000109.2S112 N116 K117S112-P114 VanDerWaalsContact O-N 3.08Å; P114-N116 PolarHBondContact O-N 3.18Å; P114-K117 HydrophobicContact CG-CB 4.48Å; P114-K117 HydrophobicContact CG-CD 4.1Å; P114-K117 HydrophobicContact CG-CG 4.06Å; P114-K117 WeakPolarHBondContact O-CA 3.33Å; P114-K117 WeakPolarHBondContact O-CB 3.49Å; P114-K117 PolarHBondContact O-N 3.33Å
115I62.2Low61.8Low135 Ų135119 Ų11969%0.69262%0.615SS**Hα-helixtrans-50.8-33.5-176.9-66.1163.3000111.2V113 K117 M118 S119V113-I115 PolarHBondContact O-N 3.19Å; I115-K117 PolarHBondContact O-N 3.29Å; I115-K117 VanDerWaalsContact O-N 3.13Å; I115-M118 WeakPolarHBondContact O-CA 3.3Å; I115-M118 WeakPolarHBondContact O-CB 3.46Å; I115-M118 PolarHBondContact O-N 3.17Å; I115-S119 PolarHBondContact O-N 2.6Å
116N59Low60.4Low137 Ų137123.2 Ų123.273%0.73363%0.628SS**Hα-helixtrans-59-24.7175.6-61.9-13.3000113.6P114P114-N116 PolarHBondContact O-N 3.18Å
117K61.5Low59.7Low122 Ų122131.6 Ų131.653%0.5366%0.655SS.*Hα-helixtrans-91.4-11172.9-66.6-167.1-176.8-172.50113.9V113 P114 I115V113-K117 HydrophobicContact CG1-CB 3.68Å; P114-K117 HydrophobicContact CG-CB 4.48Å; P114-K117 HydrophobicContact CG-CD 4.1Å; P114-K117 HydrophobicContact CG-CG 4.06Å; P114-K117 WeakPolarHBondContact O-CA 3.33Å; P114-K117 WeakPolarHBondContact O-CB 3.49Å; P114-K117 PolarHBondContact O-N 3.33Å; I115-K117 PolarHBondContact O-N 3.29Å; I115-K117 VanDerWaalsContact O-N 3.13Å
118M59.8Low59.2Low147 Ų147137.7 Ų137.772%0.72467%0.671SS**Hα-helixtrans-86-19.1169-73.8-172.2146.400113I115I115-M118 WeakPolarHBondContact O-CA 3.3Å; I115-M118 WeakPolarHBondContact O-CB 3.46Å; I115-M118 PolarHBondContact O-N 3.17Å
119S62.6Low59.2Low46 Ų46134.1 Ų134.132%0.32267%0.669SS.*SBendtrans-55.3151.5172.9174.70000111.6I115 H121 G122I115-S119 PolarHBondContact O-N 2.6Å; S119-H121 PolarHBondContact O-N 3.26Å; S119-H121 PolarHBondContact OG-N 3.15Å; S119-G122 WeakPolarHBondContact O-CA 3.19Å; S119-G122 PolarHBondContact O-N 2.93Å
120P61Low59.3Low106 Ų106130.6 Ų130.669%0.68865%0.654SS**THydrogen-bonded Turntrans-51.9-21.1170-27.635.3000114.6
121H62.9Low59.4Low173 Ų173127.7 Ų127.780%0.80165%0.65SS**THydrogen-bonded Turntrans-951.6177-57.687000113.5S119S119-H121 PolarHBondContact O-N 3.26Å; S119-H121 PolarHBondContact OG-N 3.15Å
122G66.5Low59.8Low10 Ų10127.7 Ų127.710%0.10364%0.641CS.*SBendtrans-73.2142.2-177.300000113.6S119 G124S119-G122 WeakPolarHBondContact O-CA 3.19Å; S119-G122 PolarHBondContact O-N 2.93Å; G122-G124 PolarHBondContact O-N 2.98Å
123Y63.8Low60Low211 Ų211131.3 Ų131.383%0.82764%0.641SS**THydrogen-bonded Turntrans-70.7119.9-179.7-137.1-90.6000111
124G62.4Low60.4Low75 Ų75130.9 Ų130.977%0.77363%0.633SS**THydrogen-bonded Turntrans125.2-20.3172.600000115G122 R126G122-G124 PolarHBondContact O-N 2.98Å; G124-R126 PolarHBondContact O-N 3.37Å
125R55Low61Low211 Ų211132.1 Ų132.180%0.79664%0.635SS**SBendtrans-84.495.7165.3-137.1174.5-171.2-110.35106.8R127R125-R127 PolarHBondContact O-N 2.85Å
126R48.9Very low61.7Low222 Ų222127.6 Ų127.684%0.83862%0.615SS**  trans-22.8119.4172.7-126.4176.1-173.9156.6-0.5110G124 R128G124-R126 PolarHBondContact O-N 3.37Å; R126-R128 PolarHBondContact O-N 3.42Å
127R52.3Low62.9Low240 Ų240126.5 Ų126.591%0.90661%0.609SS**  trans-43.165.5176.3-59.8177.3176.2-148.60.2113.2R125 S129R125-R127 PolarHBondContact O-N 2.85Å; R127-S129 PolarHBondContact O-N 2.91Å
128R53.1Low63.8Low209 Ų209128 Ų12879%0.78961%0.611SS**  trans-76.8112.8164.1-67-175.7-173.3-1741.1102.6R126 V130R126-R128 PolarHBondContact O-N 3.42Å; R128-V130 PolarHBondContact O-N 3.35Å; R128-V130 VanDerWaalsContact O-N 3.09Å
129S59.4Low64.9Low108 Ų108128.3 Ų128.376%0.75561%0.613SS**  trans-42.6123.5165.337.70000106.8R127 P131R127-S129 PolarHBondContact O-N 2.91Å; S129-P131 VanDerWaalsContact O-N 3.14Å
130V59.1Low65.7Low73 Ų73130.6 Ų130.644%0.44262%0.618SS.*  trans-57.3124.9172.5-177.90000105R128 E132 N151R128-V130 PolarHBondContact O-N 3.35Å; R128-V130 VanDerWaalsContact O-N 3.09Å; V130-E132 PolarHBondContact O-N 3.06Å; V130-N151 WeakPolarHBondContact CG1-ND2 3.43Å
131P60.2Low66.6Low84 Ų84134.1 Ų134.155%0.54563%0.625SS.*  trans-55.1132.6-177.220.4-30.9000108.7S129 R133 N151S129-P131 VanDerWaalsContact O-N 3.14Å; P131-R133 PolarHBondContact O-N 3.44Å; P131-R133 VanDerWaalsContact O-N 3.12Å; P131-N151 PolarHBondContact O-ND2 2.91Å
132E62.8Low67.6Low122 Ų122129.3 Ų129.357%0.5762%0.623SS**SBendtrans-59.8-25-176.6-165.3177.8-174.200111.3V130 L150 N151V130-E132 PolarHBondContact O-N 3.06Å; E132-L150 HydrophobicContact CG-CD2 4.08Å; E132-L150 CarbonylContact O-C 3.51Å; E132-L150 VanDerWaalsContact O-CA 3.3Å; E132-L150 WeakPolarHBondContact O-CA 3.42Å; E132-N151 PolarHBondContact O-N 3.44Å
133R63.1Low68.1Low165 Ų165138 Ų13862%0.62365%0.652SS**EExtended strand (participates in β ladder)trans-111.2122.4172.7-60.2-179.9-173.3-178.10.3109.7P131 W148 S149 L150P131-R133 PolarHBondContact O-N 3.44Å; P131-R133 VanDerWaalsContact O-N 3.12Å; R133-W148 HydrophobicContact CB-CE3 4.12Å; R133-S149 WeakPolarHBondContact CA-O 3.48Å; R133-L150 HydrophobicContact CG-CD2 4.03Å; R133-L150 HydrophobicContact CG-CG 4.28Å
134Q68.7Low69.1Low81 Ų81133.6 Ų133.638%0.37964%0.643SS.*EExtended strand (participates in β ladder)trans-110.4140.2171.1-66.7-170.3-3.700109.6S136 S149 N151Q134-S136 PolarHBondContact O-N 2.89Å; Q134-S149 PolarHBondContact N-O 2.73Å; Q134-S149 PolarHBondContact O-N 3.09Å; Q134-S149 VanDerWaalsContact O-O 3.09Å; Q134-S149 PolarHBondContact O-OG 2.99Å; Q134-N151 PolarHBondContact NE2-ND2 2.73Å
135I77.4Confident70Confident98 Ų98136 Ų13650%0.50363%0.628SS.*EExtended strand (participates in β ladder)trans-80.2115.8170.7-56.6170.8000106.7P146 W148I135-P146 HydrophobicContact CG2-CB 3.79Å; I135-W148 HydrophobicContact CD1-CE3 4.42Å; I135-W148 HydrophobicContact CD1-CH2 3.44Å; I135-W148 VanDerWaalsContact CD1-CH2 3.44Å; I135-W148 HydrophobicContact CD1-CZ2 3.63Å; I135-W148 HydrophobicContact CD1-CZ3 3.86Å; I135-W148 HydrophobicContact CG1-CD2 3.83Å; I135-W148 HydrophobicContact CG1-CE3 3.53Å; I135-W148 HydrophobicContact CG1-CH2 3.49Å; I135-W148 VanDerWaalsContact CG1-CH2 3.49Å; I135-W148 HydrophobicContact CG1-CZ2 3.75Å; I135-W148 HydrophobicContact CG1-CZ3 3.36Å
136S77.3Confident71.2Confident39 Ų39130 Ų13027%0.27362%0.617SS.*EExtended strand (participates in β ladder)trans-106.6142.8168.753.40000109.2Q134 V147 S149Q134-S136 PolarHBondContact O-N 2.89Å; S136-V147 PolarHBondContact N-O 3.3Å; S136-V147 PolarHBondContact O-N 2.81Å; S136-V147 PolarHBondContact OG-O 3.02Å; S136-S149 PolarHBondContact OG-OG 2.82Å; S136-S149 VanDerWaalsContact OG-OG 3.06Å
137L82.4Confident72.7Confident114 Ų114121.9 Ų121.960%0.59759%0.592SS**EExtended strand (participates in β ladder)trans-87.5117.1172.3-62.9176.9000107.6R145 P146L137-R145 WeakPolarHBondContact CA-O 3.42Å; L137-P146 HydrophobicContact CD2-CB 4.07Å
138R81.6Confident73.6Confident155 Ų155118.7 Ų118.759%0.58558%0.58SS**EExtended strand (participates in β ladder)trans-102.9133.9172.1-71.3-168.6175.8-166.4-2.4109.1E140 R145 V147R138-E140 PolarHBondContact O-N 2.84Å; R138-R145 PolarHBondContact N-O 2.87Å; R138-R145 PolarHBondContact O-N 3.31Å; R138-V147 HydrophobicContact CB-CG2 4.04Å; R138-V147 HydrophobicContact CG-CB 4.35Å; R138-V147 HydrophobicContact CG-CG2 4.17Å
139M81.9Confident74.3Confident152 Ų152110.3 Ų110.375%0.74955%0.553SS**EExtended strand (participates in β ladder)trans-82.5110172.7-168.5172.369.400107.6L144M139-L144 HydrophobicContact CB-CD2 4.04Å; M139-L144 HydrophobicContact CG-CD2 4.38Å
140E80.6Confident74.6Confident95 Ų95109.7 Ų109.744%0.44454%0.541SS..EExtended strand (participates in β ladder)trans-123.2121177-169.1174.5-138.600106.6R138 G142 R143 R145R138-E140 PolarHBondContact O-N 2.84Å; E140-G142 VanDerWaalsContact C-N 3.26Å; E140-G142 PolarHBondContact O-N 3.09Å; E140-G142 VanDerWaalsContact O-N 3.15Å; E140-R143 PolarHBondContact N-O 2.81Å; E140-R143 PolarHBondContact O-N 3.44Å; E140-R143 VanDerWaalsContact O-O 3.07Å; E140-R145 WeakPolarHBondContact OE2-CD 3.45Å; E140-R145 IonicContact OE2-CZ 3.93Å; E140-R145 IonicContact OE2-NE 2.89Å; E140-R145 IonicContact OE2-NH1 3.09Å; E140-R145 PolarHBondContact OE2-NH1 3.17Å
141E78.9Confident74.8Confident179 Ų179108.9 Ų108.984%0.83653%0.534SS*.THydrogen-bonded Turntrans52.640.5177-58.7174.6169.900113.8R143E141-R143 PolarHBondContact O-N 3.12Å
142G84.4Confident74.7Confident72 Ų72109.4 Ų109.474%0.74253%0.533SS*.THydrogen-bonded Turntrans74.35.7179.600000115E140E140-G142 VanDerWaalsContact C-N 3.26Å; E140-G142 PolarHBondContact O-N 3.09Å; E140-G142 VanDerWaalsContact O-N 3.15Å
143R77.5Confident74.5Confident192 Ų192107.3 Ų107.373%0.72553%0.531SS*.EExtended strand (participates in β ladder)trans-114.8137.5173.8-63.3-175.4-179.2-162.61.1110.6E140 E141 R145E140-R143 PolarHBondContact N-O 2.81Å; E140-R143 PolarHBondContact O-N 3.44Å; E140-R143 VanDerWaalsContact O-O 3.07Å; E141-R143 PolarHBondContact O-N 3.12Å; R143-R145 PolarHBondContact O-N 3.23Å
144L84.9Confident74.2Confident120 Ų120105.2 Ų105.263%0.62853%0.528SS*.EExtended strand (participates in β ladder)trans-80.8110.2173.6-67.5175.6000109.1M139M139-L144 HydrophobicContact CB-CD2 4.04Å; M139-L144 HydrophobicContact CG-CD2 4.38Å
145R81.2Confident73.7Confident125 Ų125104.2 Ų104.247%0.47253%0.528SS..EExtended strand (participates in β ladder)trans-103132.8175.2-73.9-175.9173.8178.8-2.1110.8L137 R138 E140 R143 V147L137-R145 WeakPolarHBondContact CA-O 3.42Å; R138-R145 PolarHBondContact N-O 2.87Å; R138-R145 PolarHBondContact O-N 3.31Å; E140-R145 WeakPolarHBondContact OE2-CD 3.45Å; E140-R145 IonicContact OE2-CZ 3.93Å; E140-R145 IonicContact OE2-NE 2.89Å; E140-R145 IonicContact OE2-NH1 3.09Å; E140-R145 PolarHBondContact OE2-NH1 3.17Å; R143-R145 PolarHBondContact O-N 3.23Å; R145-V147 PolarHBondContact O-N 3.13Å
146P80.3Confident72.8Confident86 Ų86105.8 Ų105.856%0.55853%0.533SS*.EExtended strand (participates in β ladder)trans-73.1117.6170.829-31000109.7I135 L137I135-P146 HydrophobicContact CG2-CB 3.79Å; L137-P146 HydrophobicContact CD2-CB 4.07Å
147V79.4Confident71.9Confident50 Ų50111 Ų11130%0.30355%0.55SS.*EExtended strand (participates in β ladder)trans-114.4130.4177.1-179.50000108.7S136 R138 R145 S149S136-V147 PolarHBondContact N-O 3.3Å; S136-V147 PolarHBondContact O-N 2.81Å; S136-V147 PolarHBondContact OG-O 3.02Å; R138-V147 HydrophobicContact CB-CG2 4.04Å; R138-V147 HydrophobicContact CG-CB 4.35Å; R138-V147 HydrophobicContact CG-CG2 4.17Å; R145-V147 PolarHBondContact O-N 3.13Å; V147-S149 PolarHBondContact O-N 2.98Å
148W71.9Confident71.1Confident173 Ų173110.3 Ų110.366%0.65555%0.547SS*.EExtended strand (participates in β ladder)trans-77.2111172.9-67.693.9000109.3R133 I135R133-W148 HydrophobicContact CB-CE3 4.12Å; I135-W148 HydrophobicContact CD1-CE3 4.42Å; I135-W148 HydrophobicContact CD1-CH2 3.44Å; I135-W148 VanDerWaalsContact CD1-CH2 3.44Å; I135-W148 HydrophobicContact CD1-CZ2 3.63Å; I135-W148 HydrophobicContact CD1-CZ3 3.86Å; I135-W148 HydrophobicContact CG1-CD2 3.83Å; I135-W148 HydrophobicContact CG1-CE3 3.53Å; I135-W148 HydrophobicContact CG1-CH2 3.49Å; I135-W148 VanDerWaalsContact CG1-CH2 3.49Å; I135-W148 HydrophobicContact CG1-CZ2 3.75Å; I135-W148 HydrophobicContact CG1-CZ3 3.36Å
149S67.4Low70.6Confident34 Ų34107.1 Ų107.124%0.23854%0.538CS..EExtended strand (participates in β ladder)trans-106.3133.6174.747.80000110.5R133 Q134 S136 V147R133-S149 WeakPolarHBondContact CA-O 3.48Å; Q134-S149 PolarHBondContact N-O 2.73Å; Q134-S149 PolarHBondContact O-N 3.09Å; Q134-S149 VanDerWaalsContact O-O 3.09Å; Q134-S149 PolarHBondContact O-OG 2.99Å; S136-S149 PolarHBondContact OG-OG 2.82Å; S136-S149 VanDerWaalsContact OG-OG 3.06Å; V147-S149 PolarHBondContact O-N 2.98Å
150L66.6Low70Confident94 Ų94102.4 Ų102.449%0.49252%0.524SS..EExtended strand (participates in β ladder)trans-71141.9167.6-74.4134.8000109.3E132 R133 N152E132-L150 HydrophobicContact CG-CD2 4.08Å; E132-L150 CarbonylContact O-C 3.51Å; E132-L150 VanDerWaalsContact O-CA 3.3Å; E132-L150 WeakPolarHBondContact O-CA 3.42Å; R133-L150 HydrophobicContact CG-CD2 4.03Å; R133-L150 HydrophobicContact CG-CG 4.28Å; L150-N152 PolarHBondContact O-N 3.33Å; L150-N152 PolarHBondContact O-OD1 3.41Å
151N61.4Low69.5Low57 Ų57102.9 Ų102.931%0.30553%0.529SS..  trans-68.694.9174.5-109.7-22.4000108.8V130 P131 E132 Q134 S153V130-N151 WeakPolarHBondContact CG1-ND2 3.43Å; P131-N151 PolarHBondContact O-ND2 2.91Å; E132-N151 PolarHBondContact O-N 3.44Å; Q134-N151 PolarHBondContact NE2-ND2 2.73Å; N151-S153 PolarHBondContact O-N 3.38Å; N151-S153 PolarHBondContact O-OG 3.42Å
152N58.4Low69.4Low95 Ų95100.3 Ų100.351%0.50852%0.52SS..THydrogen-bonded Turntrans-63.722.3-176.2-80.5-8000115.4L150 Q154 V155 H156L150-N152 PolarHBondContact O-N 3.33Å; L150-N152 PolarHBondContact O-OD1 3.41Å; N152-Q154 PolarHBondContact O-N 3.23Å; N152-Q154 VanDerWaalsContact O-N 3.12Å; N152-V155 HydrophobicContact CB-CB 3.98Å; N152-V155 HydrophobicContact CB-CG2 3.87Å; N152-V155 PolarHBondContact O-N 3.17Å; N152-V155 WeakPolarHBondContact OD1-CG2 3.4Å; N152-H156 PolarHBondContact O-N 2.81Å
153S59.5Low68.8Low77 Ų77106.9 Ų106.954%0.53852%0.523SS..Hα-helixtrans-56.1-23.6168.467.90000113N151 K157N151-S153 PolarHBondContact O-N 3.38Å; N151-S153 PolarHBondContact O-OG 3.42Å; S153-K157 WeakPolarHBondContact O-CG 3.48Å
154Q56.1Low68.3Low121 Ų121108.1 Ų108.157%0.56553%0.527SS*.Hα-helixtrans-82.3-32.9172.4-64.7-175.7-7.700112.8N152 K157 L158N152-Q154 PolarHBondContact O-N 3.23Å; N152-Q154 VanDerWaalsContact O-N 3.12Å; Q154-K157 WeakPolarHBondContact O-CB 3.47Å; Q154-K157 PolarHBondContact O-N 2.97Å; Q154-L158 VanDerWaalsContact O-CG 3.31Å; Q154-L158 WeakPolarHBondContact O-CG 3.31Å; Q154-L158 PolarHBondContact O-N 2.86Å
155V59.1Low66.9Low60 Ų60110.3 Ų110.336%0.36455%0.546SS..Hα-helixtrans-65.4-44178.8-179.50000110.5N152 K157 L158 E159N152-V155 HydrophobicContact CB-CB 3.98Å; N152-V155 HydrophobicContact CB-CG2 3.87Å; N152-V155 PolarHBondContact O-N 3.17Å; N152-V155 WeakPolarHBondContact OD1-CG2 3.4Å; V155-K157 VanDerWaalsContact C-N 3.28Å; V155-K157 PolarHBondContact O-N 3.12Å; V155-L158 PolarHBondContact O-N 3.36Å; V155-E159 WeakPolarHBondContact O-CB 3.46Å; V155-E159 WeakPolarHBondContact O-CG 3.31Å; V155-E159 PolarHBondContact O-N 3.05Å
156H57.2Low66.2Low132 Ų132109.6 Ų109.661%0.61155%0.55SS*.Hα-helixtrans-64.6-31.3173.9-70.5-50.2000113.2N152 E159 A160N152-H156 PolarHBondContact O-N 2.81Å; H156-E159 IonicContact ND1-OE2 3.17Å; H156-E159 PolarHBondContact ND1-OE2 3.19Å; H156-A160 VanDerWaalsContact O-CB 3.27Å; H156-A160 WeakPolarHBondContact O-CB 3.4Å; H156-A160 PolarHBondContact O-N 3.03Å
157K59.8Low65.5Low148 Ų148110.8 Ų110.864%0.64355%0.549SS*.Hα-helixtrans-70-40.5173.1-76.1178.7179.9-177.30111.7S153 Q154 V155 A160 L161S153-K157 WeakPolarHBondContact O-CG 3.48Å; Q154-K157 WeakPolarHBondContact O-CB 3.47Å; Q154-K157 PolarHBondContact O-N 2.97Å; V155-K157 VanDerWaalsContact C-N 3.28Å; V155-K157 PolarHBondContact O-N 3.12Å; K157-A160 PolarHBondContact O-N 3.43Å; K157-L161 VanDerWaalsContact O-CG 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.47Å; K157-L161 PolarHBondContact O-N 3.35Å
158L65.3Low64.7Low100 Ų100114.2 Ų114.252%0.52456%0.563SS.*Hα-helixtrans-69-42.5177.3-70.6170.5000111.4Q154 V155 A160 L161 L162Q154-L158 VanDerWaalsContact O-CG 3.31Å; Q154-L158 WeakPolarHBondContact O-CG 3.31Å; Q154-L158 PolarHBondContact O-N 2.86Å; V155-L158 PolarHBondContact O-N 3.36Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 2.87Å; L158-L161 PolarHBondContact O-N 3.44Å; L158-L162 WeakPolarHBondContact O-CB 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 3.19Å
159E69.8Low64.2Low87 Ų87110.8 Ų110.841%0.40756%0.557SS.*Hα-helixtrans-59.9-41.7171.9-78-178.214900111.9V155 H156 L161 L162 R163V155-E159 WeakPolarHBondContact O-CB 3.46Å; V155-E159 WeakPolarHBondContact O-CG 3.31Å; V155-E159 PolarHBondContact O-N 3.05Å; H156-E159 IonicContact ND1-OE2 3.17Å; H156-E159 PolarHBondContact ND1-OE2 3.19Å; E159-L161 VanDerWaalsContact C-N 3.3Å; E159-L161 PolarHBondContact O-N 2.97Å; E159-L162 PolarHBondContact O-N 3.42Å; E159-R163 WeakPolarHBondContact O-CB 3.31Å; E159-R163 VanDerWaalsContact O-CG 3.31Å; E159-R163 WeakPolarHBondContact O-CG 3.46Å; E159-R163 PolarHBondContact O-N 3.1Å
160A69.8Low64.1Low54 Ų54115.6 Ų115.645%0.44658%0.577SS.*Hα-helixtrans-66.7-30.7177.100000113H156 K157 L158H156-A160 VanDerWaalsContact O-CB 3.27Å; H156-A160 WeakPolarHBondContact O-CB 3.4Å; H156-A160 PolarHBondContact O-N 3.03Å; K157-A160 PolarHBondContact O-N 3.43Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 2.87Å
161L70.8Confident63.9Low105 Ų105117 Ų11755%0.5558%0.583SS.*Hα-helixtrans-75.5-42174.2-72.5172.1000111.8K157 L158 E159 R163 R164K157-L161 VanDerWaalsContact O-CG 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.47Å; K157-L161 PolarHBondContact O-N 3.35Å; L158-L161 PolarHBondContact O-N 3.44Å; E159-L161 VanDerWaalsContact C-N 3.3Å; E159-L161 PolarHBondContact O-N 2.97Å; L161-R163 VanDerWaalsContact C-N 3.29Å; L161-R163 PolarHBondContact O-N 2.97Å; L161-R164 PolarHBondContact O-N 3.44Å; L161-R164 VanDerWaalsContact O-N 3.1Å
162L76.6Confident64.1Low124 Ų124121.3 Ų121.365%0.64960%0.603SS**Hα-helixtrans-67.7-26.8177-71.8170.7000113L158 E159 R164 T165L158-L162 WeakPolarHBondContact O-CB 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 3.19Å; E159-L162 PolarHBondContact O-N 3.42Å; L162-R164 VanDerWaalsContact C-N 3.27Å; L162-T165 PolarHBondContact O-OG1 3.41Å
163R72.8Confident64.5Low210 Ų210123.3 Ų123.379%0.79261%0.61SS**THydrogen-bonded Turntrans-76.8-10.4172.1-74.1-178.8-175.6-166.83.2114E159 L161E159-R163 WeakPolarHBondContact O-CB 3.31Å; E159-R163 VanDerWaalsContact O-CG 3.31Å; E159-R163 WeakPolarHBondContact O-CG 3.46Å; E159-R163 PolarHBondContact O-N 3.1Å; L161-R163 VanDerWaalsContact C-N 3.29Å; L161-R163 PolarHBondContact O-N 2.97Å
164R66.6Low64.9Low219 Ų219127.2 Ų127.283%0.82662%0.616SS**  trans-96.1-12.7177.7-84.7-177.1178.2174.1-0.4113.5L161 L162L161-R164 PolarHBondContact O-N 3.44Å; L161-R164 VanDerWaalsContact O-N 3.1Å; L162-R164 VanDerWaalsContact C-N 3.27Å
165T55.2Low65.7Low166 Ų166127.7 Ų127.7100%1.01862%0.621SS**  trans-95.30170.651.70000109.7L162L162-T165 PolarHBondContact O-OG1 3.41Å

Retrieved 165 of 165 residues in 164.1 ms (Link to these results)