A0A5K4F6W7_SCHMA Loading...

G-patch domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6W7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 197 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
1M51.7Low54.9Low193 Ų193115.5 Ų115.595%0.95159%0.592SS**  0-40.20-92-159.4-80.700113.1Q3 V4 I5M1-Q3 PolarHBondContact O-N 3.38Å; M1-V4 PolarHBondContact O-N 2.81Å; M1-I5 PolarHBondContact O-N 3.21Å
2E41.7Very low54.6Low167 Ų167115.9 Ų115.978%0.7859%0.587SS**Hα-helixtrans-62.9-37.8-177.6-63.8-153.7152.100114.6V4 I5 T6E2-V4 VanDerWaalsContact C-N 3.32Å; E2-V4 PolarHBondContact O-N 3.05Å; E2-I5 PolarHBondContact O-N 3.13Å; E2-T6 PolarHBondContact O-N 3.12Å; E2-T6 PolarHBondContact O-OG1 3.45Å; E2-T6 VanDerWaalsContact O-OG1 3.13Å
3Q50.2Low54Low163 Ų163120 Ų12076%0.76260%0.599SS**Hα-helixtrans-66.3-30.3179.7-64.7-166.416.200114M1 L7M1-Q3 PolarHBondContact O-N 3.38Å; Q3-L7 PolarHBondContact O-N 3.06Å
4V54.2Low53.9Low91 Ų91119.6 Ų119.655%0.55261%0.605SS**Hα-helixtrans-73.2-37.4179.4179.20000110.8M1 E2 T6 L7 I8M1-V4 PolarHBondContact O-N 2.81Å; E2-V4 VanDerWaalsContact C-N 3.32Å; E2-V4 PolarHBondContact O-N 3.05Å; V4-T6 VanDerWaalsContact C-N 3.33Å; V4-T6 PolarHBondContact O-N 3.33Å; V4-L7 PolarHBondContact O-N 3.22Å; V4-I8 HydrophobicContact CG1-CD1 4.12Å; V4-I8 WeakPolarHBondContact O-CG1 3.22Å; V4-I8 PolarHBondContact O-N 3.11Å; V4-I8 VanDerWaalsContact O-N 3.11Å
5I53.2Low53.3Low94 Ų94122.9 Ų122.948%0.48262%0.618SS.*Hα-helixtrans-65.3-39.5177-63.6170.1000110.3M1 E2 L7 I8 L9M1-I5 PolarHBondContact O-N 3.21Å; E2-I5 PolarHBondContact O-N 3.13Å; I5-L7 VanDerWaalsContact C-N 3.33Å; I5-L7 PolarHBondContact O-N 3.46Å; I5-I8 PolarHBondContact O-N 3.36Å; I5-L9 HydrophobicContact CG2-CD1 4.11Å; I5-L9 WeakPolarHBondContact O-CG 3.49Å; I5-L9 PolarHBondContact O-N 3.37Å; I5-L9 VanDerWaalsContact O-N 3.09Å
6T57.6Low52.9Low73 Ų73120.4 Ų120.445%0.44862%0.616SS.*Hα-helixtrans-65.7-34.5176.2-46.20000112.8E2 V4 K10E2-T6 PolarHBondContact O-N 3.12Å; E2-T6 PolarHBondContact O-OG1 3.45Å; E2-T6 VanDerWaalsContact O-OG1 3.13Å; V4-T6 VanDerWaalsContact C-N 3.33Å; V4-T6 PolarHBondContact O-N 3.33Å; T6-K10 WeakPolarHBondContact O-CG 3.23Å; T6-K10 PolarHBondContact O-N 3.06Å; T6-K10 VanDerWaalsContact O-N 3.13Å
7L55.5Low52.4Low122 Ų122124.6 Ų124.664%0.63963%0.628SS**Hα-helixtrans-68.9-42.2176.3-89.9157.8000112.3Q3 V4 I5 L9 K10 S11Q3-L7 PolarHBondContact O-N 3.06Å; V4-L7 PolarHBondContact O-N 3.22Å; I5-L7 VanDerWaalsContact C-N 3.33Å; I5-L7 PolarHBondContact O-N 3.46Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.42Å; L7-K10 PolarHBondContact O-N 3.38Å; L7-S11 PolarHBondContact O-N 3.13Å
8I61Low52.2Low91 Ų91123.7 Ų123.747%0.46763%0.63SS.*Hα-helixtrans-65.7-38.1177-65.2168.9000111.2V4 I5 K10 S11 F12V4-I8 HydrophobicContact CG1-CD1 4.12Å; V4-I8 WeakPolarHBondContact O-CG1 3.22Å; V4-I8 PolarHBondContact O-N 3.11Å; V4-I8 VanDerWaalsContact O-N 3.11Å; I5-I8 PolarHBondContact O-N 3.36Å; I8-K10 VanDerWaalsContact C-N 3.34Å; I8-K10 PolarHBondContact O-N 3.09Å; I8-S11 PolarHBondContact O-N 3.28Å; I8-S11 PolarHBondContact O-OG 3.33Å; I8-F12 HydrophobicContact CG2-CD2 4.11Å; I8-F12 HydrophobicContact CG2-CE2 4.38Å; I8-F12 PolarHBondContact O-N 3.12Å; I8-F12 VanDerWaalsContact O-N 3.17Å
9L59.1Low51.9Low67 Ų67128.8 Ų128.835%0.35165%0.648SS.*Hα-helixtrans-67.6-34.5176.1-72170.4000112.5I5 L7 F13 F29 L33I5-L9 HydrophobicContact CG2-CD1 4.11Å; I5-L9 WeakPolarHBondContact O-CG 3.49Å; I5-L9 PolarHBondContact O-N 3.37Å; I5-L9 VanDerWaalsContact O-N 3.09Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.42Å; L9-F13 WeakPolarHBondContact O-CB 3.47Å; L9-F13 PolarHBondContact O-N 3.24Å; L9-F29 HydrophobicContact CD2-CE1 3.79Å; L9-L33 HydrophobicContact CD2-CD1 4.48Å
10K61.6Low51.8Low143 Ų143128.3 Ų128.362%0.62265%0.646SS**Hα-helixtrans-72.2-36.1175.8-79.2-179.6176.1-179.10112.6T6 L7 I8 V14T6-K10 WeakPolarHBondContact O-CG 3.23Å; T6-K10 PolarHBondContact O-N 3.06Å; T6-K10 VanDerWaalsContact O-N 3.13Å; L7-K10 PolarHBondContact O-N 3.38Å; I8-K10 VanDerWaalsContact C-N 3.34Å; I8-K10 PolarHBondContact O-N 3.09Å; K10-V14 WeakPolarHBondContact O-CG2 3.39Å
11S57.7Low51.9Low66 Ų66128.8 Ų128.846%0.46265%0.65SS.*Hα-helixtrans-69.7-40.9177.963.90000112L7 I8 F13 V14L7-S11 PolarHBondContact O-N 3.13Å; I8-S11 PolarHBondContact O-N 3.28Å; I8-S11 PolarHBondContact O-OG 3.33Å; S11-F13 PolarHBondContact O-N 2.79Å; S11-V14 PolarHBondContact O-N 3.37Å
12F51.2Low52.1Low121 Ų121124.5 Ų124.553%0.53164%0.639SS.*Hα-helixtrans-67.9-33177.4-95-86.1000113.6I8 V14 E15 F29I8-F12 HydrophobicContact CG2-CD2 4.11Å; I8-F12 HydrophobicContact CG2-CE2 4.38Å; I8-F12 PolarHBondContact O-N 3.12Å; I8-F12 VanDerWaalsContact O-N 3.17Å; F12-V14 VanDerWaalsContact C-N 3.25Å; F12-V14 PolarHBondContact O-N 3.33Å; F12-E15 PolarHBondContact O-N 3.35Å; F12-F29 HydrophobicContact CB-CE2 4.49Å; F12-F29 HydrophobicContact CB-CZ 4.05Å; F12-F29 HydrophobicContact CG-CZ 4.49Å
13F47.7Very low52.8Low169 Ų169124 Ų12474%0.74164%0.637SS**Hα-helixtrans-69.9-22.5178.3-167.8-100.5000113.2L9 S11L9-F13 WeakPolarHBondContact O-CB 3.47Å; L9-F13 PolarHBondContact O-N 3.24Å; S11-F13 PolarHBondContact O-N 2.79Å
14V51.9Low53.3Low114 Ų114118.9 Ų118.969%0.69162%0.623SS**Hα-helixtrans-76.1-26178.31700000112K10 S11 F12K10-V14 WeakPolarHBondContact O-CG2 3.39Å; S11-V14 PolarHBondContact O-N 3.37Å; F12-V14 VanDerWaalsContact C-N 3.25Å; F12-V14 PolarHBondContact O-N 3.33Å
15E45.5Very low53.4Low170 Ų170117 Ų11779%0.79462%0.617SS**Hα-helixtrans-93.7-18.8-168.7-148.1146.4-155.200113.8F12 K17F12-E15 PolarHBondContact O-N 3.35Å; E15-K17 PolarHBondContact O-N 3.42Å
16S46.6Very low53.8Low83 Ų83116.3 Ų116.358%0.5862%0.62SS**  trans-94.756.8176.661.40000112.8
17K44.9Very low54.2Low191 Ų191118.4 Ų118.483%0.8363%0.628SS**  trans-96.167.5161.8-81.2-170.3178.4177.50110.1E15E15-K17 PolarHBondContact O-N 3.42Å
18T48.2Very low54.7Low108 Ų108121.3 Ų121.366%0.66363%0.632SS**SBendtrans-128.6144.2154.353.80000109.7I20T18-I20 VanDerWaalsContact C-N 3.26Å; T18-I20 PolarHBondContact O-N 3.46Å
19K45.9Very low55.1Low221 Ų221121.7 Ų121.796%0.96163%0.63SS**  trans-60.379.6-170.2-158.7176.9-171.1-1790110.5
20I51Low55.7Low118 Ų118121.2 Ų121.261%0.60563%0.633SS**  trans-122130173.8-49.8169.8000105.2T18 S22T18-I20 VanDerWaalsContact C-N 3.26Å; T18-I20 PolarHBondContact O-N 3.46Å; I20-S22 PolarHBondContact O-N 2.99Å; I20-S22 VanDerWaalsContact O-N 3.1Å
21N52.7Low56.2Low140 Ų140119 Ų11975%0.74963%0.625SS**  trans-45.4119.1-176.9-76.8-23.5000110.7E23 A24N21-E23 PolarHBondContact O-N 2.9Å; N21-A24 PolarHBondContact O-N 2.91Å
22S57.5Low56.9Low102 Ų102118.3 Ų118.371%0.71362%0.622SS**Hα-helixtrans-58.3-24.3-166.753.80000114.2I20 S26I20-S22 PolarHBondContact O-N 2.99Å; I20-S22 VanDerWaalsContact O-N 3.1Å; S22-S26 VanDerWaalsContact O-CB 3.31Å; S22-S26 WeakPolarHBondContact O-CB 3.12Å; S22-S26 PolarHBondContact O-N 3.21Å
23E56.3Low57.9Low157 Ų157115.9 Ų115.973%0.73461%0.614SS**Hα-helixtrans-72.6-42.1176.1-89.9-177.6145.800113.6N21 S26 L27N21-E23 PolarHBondContact O-N 2.9Å; E23-S26 PolarHBondContact O-N 3.3Å; E23-L27 PolarHBondContact O-N 3.32Å
24A59Low59.2Low56 Ų56112.2 Ų112.246%0.46361%0.606SS.*Hα-helixtrans-70.5-37.9-177.300000111.6N21 Y28N21-A24 PolarHBondContact O-N 2.91Å; A24-Y28 PolarHBondContact O-N 3.22Å; A24-Y28 VanDerWaalsContact O-N 3.14Å
25A57.4Low60Low52 Ų52114.3 Ų114.343%0.4360%0.602SS.*Hα-helixtrans-66.6-39.6174.900000111.8F29A25-F29 WeakPolarHBondContact O-CB 3.48Å; A25-F29 PolarHBondContact O-N 3.04Å; A25-F29 VanDerWaalsContact O-N 3.08Å
26S61.9Low60.9Low78 Ų78109.6 Ų109.655%0.54559%0.588SS.*Hα-helixtrans-61.4-47.3175.9175.40000112.2S22 E23 F29 S30S22-S26 VanDerWaalsContact O-CB 3.31Å; S22-S26 WeakPolarHBondContact O-CB 3.12Å; S22-S26 PolarHBondContact O-N 3.21Å; E23-S26 PolarHBondContact O-N 3.3Å; S26-F29 PolarHBondContact O-N 3.19Å; S26-S30 PolarHBondContact O-N 3.45Å
27L65.3Low62Low117 Ų117109.5 Ų109.561%0.61358%0.58SS**Hα-helixtrans-62.1-47.4178.6-85163.3000112E23 F29 S30 E31E23-L27 PolarHBondContact O-N 3.32Å; L27-F29 VanDerWaalsContact C-N 3.3Å; L27-F29 PolarHBondContact O-N 3.01Å; L27-S30 PolarHBondContact O-N 2.85Å; L27-S30 PolarHBondContact O-OG 3.16Å; L27-E31 PolarHBondContact O-N 3.27Å
28Y66.5Low63Low184 Ų184103 Ų10372%0.72256%0.561SS**Hα-helixtrans-59.9-40.3178.3-117.6-91.3000112.3A24 E31 A32A24-Y28 PolarHBondContact O-N 3.22Å; A24-Y28 VanDerWaalsContact O-N 3.14Å; Y28-E31 PolarHBondContact O-N 2.9Å; Y28-A32 WeakPolarHBondContact O-CB 3.12Å; Y28-A32 PolarHBondContact O-N 3.27Å
29F68.4Low63.6Low98 Ų98102.7 Ų102.743%0.4355%0.554SS.*Hα-helixtrans-69.8-38.7179.4-144.2-88.6000111.7L9 F12 A25 S26 L27 E31 A32 L33L9-F29 HydrophobicContact CD2-CE1 3.79Å; F12-F29 HydrophobicContact CB-CE2 4.49Å; F12-F29 HydrophobicContact CB-CZ 4.05Å; F12-F29 HydrophobicContact CG-CZ 4.49Å; A25-F29 WeakPolarHBondContact O-CB 3.48Å; A25-F29 PolarHBondContact O-N 3.04Å; A25-F29 VanDerWaalsContact O-N 3.08Å; S26-F29 PolarHBondContact O-N 3.19Å; L27-F29 VanDerWaalsContact C-N 3.3Å; L27-F29 PolarHBondContact O-N 3.01Å; F29-E31 VanDerWaalsContact C-N 3.32Å; F29-E31 PolarHBondContact O-N 2.95Å; F29-A32 PolarHBondContact O-N 2.87Å; F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.31Å; F29-L33 PolarHBondContact O-N 3.49Å
30S72.2Confident64Low58 Ų5895.1 Ų95.141%0.40653%0.533SS..Hα-helixtrans-63.5-38.8175.180.40000112S26 L27 T34S26-S30 PolarHBondContact O-N 3.45Å; L27-S30 PolarHBondContact O-N 2.85Å; L27-S30 PolarHBondContact O-OG 3.16Å; S30-T34 WeakPolarHBondContact O-CB 3.46Å; S30-T34 PolarHBondContact O-N 2.94Å; S30-T34 PolarHBondContact O-OG1 3.45Å
31E72.3Confident64.3Low97 Ų9798.6 Ų98.645%0.45354%0.539SS..Hα-helixtrans-71.9-43179.9-134.5-167.1143.100111.2L27 Y28 F29 T34 R35L27-E31 PolarHBondContact O-N 3.27Å; Y28-E31 PolarHBondContact O-N 2.9Å; F29-E31 VanDerWaalsContact C-N 3.32Å; F29-E31 PolarHBondContact O-N 2.95Å; E31-T34 PolarHBondContact O-N 3.29Å; E31-R35 WeakPolarHBondContact O-CG 3.24Å; E31-R35 PolarHBondContact O-N 3.43Å; E31-R35 IonicContact OE1-CZ 3.7Å; E31-R35 IonicContact OE1-NE 3.89Å; E31-R35 IonicContact OE1-NH2 2.84Å; E31-R35 PolarHBondContact OE1-NH2 3.33Å
32A71.4Confident64.3Low50 Ų5099.1 Ų99.141%0.41354%0.537SS..Hα-helixtrans-62.7-42175.500000112Y28 F29 R35 S36Y28-A32 WeakPolarHBondContact O-CB 3.12Å; Y28-A32 PolarHBondContact O-N 3.27Å; F29-A32 PolarHBondContact O-N 2.87Å; A32-R35 PolarHBondContact O-N 2.94Å; A32-S36 WeakPolarHBondContact O-CB 3.09Å; A32-S36 PolarHBondContact O-N 3.43Å; A32-S36 PolarHBondContact O-OG 2.72Å
33L73Confident63.7Low70 Ų70100.6 Ų100.637%0.36654%0.537SS..Hα-helixtrans-65-41.8176.2-170.570000111.1L9 F29 S36 I37L9-L33 HydrophobicContact CD2-CD1 4.48Å; F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.31Å; F29-L33 PolarHBondContact O-N 3.49Å; L33-S36 PolarHBondContact O-N 3.1Å; L33-I37 HydrophobicContact CG-CD1 3.98Å; L33-I37 VanDerWaalsContact O-CG1 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.03Å; L33-I37 PolarHBondContact O-N 2.88Å
34T75Confident63Low93 Ų93101.5 Ų101.557%0.57154%0.538SS*.Hα-helixtrans-64.4-42.4178-54.40000111.5S30 E31 I37 A38S30-T34 WeakPolarHBondContact O-CB 3.46Å; S30-T34 PolarHBondContact O-N 2.94Å; S30-T34 PolarHBondContact O-OG1 3.45Å; E31-T34 PolarHBondContact O-N 3.29Å; T34-I37 PolarHBondContact O-N 3.27Å; T34-A38 WeakPolarHBondContact O-CB 3.24Å; T34-A38 PolarHBondContact O-N 2.82Å
35R68.6Low62.1Low158 Ų158108.7 Ų108.760%0.59655%0.553SS**Hα-helixtrans-63.4-41.2173.7-72179.6-170.9-176.37.3112.1E31 A32 A38 I39E31-R35 WeakPolarHBondContact O-CG 3.24Å; E31-R35 PolarHBondContact O-N 3.43Å; E31-R35 IonicContact OE1-CZ 3.7Å; E31-R35 IonicContact OE1-NE 3.89Å; E31-R35 IonicContact OE1-NH2 2.84Å; E31-R35 PolarHBondContact OE1-NH2 3.33Å; A32-R35 PolarHBondContact O-N 2.94Å; R35-A38 PolarHBondContact O-N 3.04Å; R35-I39 WeakPolarHBondContact O-CG1 3.08Å; R35-I39 PolarHBondContact O-N 3.15Å
36S65.8Low61.4Low71 Ų71112.4 Ų112.450%0.49757%0.571SS.*Hα-helixtrans-64.5-42178.4-54.70000111.9A32 L33 A38 I39 A40A32-S36 WeakPolarHBondContact O-CB 3.09Å; A32-S36 PolarHBondContact O-N 3.43Å; A32-S36 PolarHBondContact O-OG 2.72Å; L33-S36 PolarHBondContact O-N 3.1Å; S36-A38 VanDerWaalsContact C-N 3.34Å; S36-I39 PolarHBondContact O-N 3.19Å; S36-A40 WeakPolarHBondContact O-CB 3.01Å; S36-A40 PolarHBondContact O-N 3.37Å
37I69.7Low60Low81 Ų81113 Ų11342%0.41558%0.575SS.*Hα-helixtrans-67.1-35.4175.6-67.8167000111.1L33 T34 A40 R41L33-I37 HydrophobicContact CG-CD1 3.98Å; L33-I37 VanDerWaalsContact O-CG1 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.03Å; L33-I37 PolarHBondContact O-N 2.88Å; T34-I37 PolarHBondContact O-N 3.27Å; I37-A40 PolarHBondContact O-N 3.29Å; I37-R41 WeakPolarHBondContact O-CB 3.46Å; I37-R41 PolarHBondContact O-N 3.01Å
38A64.4Low58.8Low53 Ų53115.8 Ų115.844%0.43859%0.589SS.*Hα-helixtrans-66-43175.700000112.3T34 R35 S36 R41 Q42T34-A38 WeakPolarHBondContact O-CB 3.24Å; T34-A38 PolarHBondContact O-N 2.82Å; R35-A38 PolarHBondContact O-N 3.04Å; S36-A38 VanDerWaalsContact C-N 3.34Å; A38-R41 PolarHBondContact O-N 3.15Å; A38-Q42 PolarHBondContact O-N 3.16Å; A38-Q42 VanDerWaalsContact O-N 3.07Å
39I60.5Low57.6Low102 Ų102111.4 Ų111.452%0.52359%0.586SS.*Hα-helixtrans-65.5-42.9175.1-65.3165.2000110.5R35 S36 R41 Q42 N43R35-I39 WeakPolarHBondContact O-CG1 3.08Å; R35-I39 PolarHBondContact O-N 3.15Å; S36-I39 PolarHBondContact O-N 3.19Å; I39-R41 VanDerWaalsContact C-N 3.29Å; I39-R41 PolarHBondContact O-N 3.07Å; I39-Q42 PolarHBondContact O-N 2.88Å; I39-N43 PolarHBondContact O-N 2.83Å; I39-N43 VanDerWaalsContact O-N 3.15Å
40A55.4Low56.7Low63 Ų63112.7 Ų112.752%0.52160%0.597SS.*Hα-helixtrans-64.9-31175.900000112.9S36 I37S36-A40 WeakPolarHBondContact O-CB 3.01Å; S36-A40 PolarHBondContact O-N 3.37Å; I37-A40 PolarHBondContact O-N 3.29Å
41R57.3Low56Low191 Ų191114 Ų11472%0.72161%0.605SS**Hα-helixtrans-73.4-30.4173.5-91.8-179.5159.5149.9-3.6113.3I37 A38 I39I37-R41 WeakPolarHBondContact O-CB 3.46Å; I37-R41 PolarHBondContact O-N 3.01Å; A38-R41 PolarHBondContact O-N 3.15Å; I39-R41 VanDerWaalsContact C-N 3.29Å; I39-R41 PolarHBondContact O-N 3.07Å
42Q52.3Low55.3Low150 Ų150112.5 Ų112.570%0.70160%0.599SS**Hα-helixtrans-71.1-37.8173.2-83.6-178.7-25.700112A38 I39 K44 R45A38-Q42 PolarHBondContact O-N 3.16Å; A38-Q42 VanDerWaalsContact O-N 3.07Å; I39-Q42 PolarHBondContact O-N 2.88Å; Q42-K44 PolarHBondContact O-N 3.06Å; Q42-K44 VanDerWaalsContact O-N 3.15Å; Q42-R45 PolarHBondContact O-N 2.65Å
43N45.9Very low55Low134 Ų134116.8 Ų116.872%0.71762%0.615SS**THydrogen-bonded Turntrans-72.5-4.4178.5-81.1-6.1000115I39I39-N43 PolarHBondContact O-N 2.83Å; I39-N43 VanDerWaalsContact O-N 3.15Å
44K41.6Very low55.3Low175 Ų175118.4 Ų118.476%0.76162%0.624SS**THydrogen-bonded Turntrans-1029.9175.2-152.9170.8-178.7177.90113.7Q42Q42-K44 PolarHBondContact O-N 3.06Å; Q42-K44 VanDerWaalsContact O-N 3.15Å
45R38.4Very low55.9Low208 Ų208119.2 Ų119.279%0.78563%0.629SS**  trans-129.858.9174.6-80.7-176176.8153.8-2.9111.6Q42Q42-R45 PolarHBondContact O-N 2.65Å
46T42.4Very low56.7Low129 Ų129114 Ų11479%0.79162%0.62SS**  trans-106.562.9148.3480000108.1
47S34.4Very low57.7Low90 Ų90112.9 Ų112.963%0.62961%0.605SS**  trans-86.9112.4160.650.40000107.5
48L40Very low58.6Low176 Ų176115.8 Ų115.892%0.92161%0.614SS**  trans60.160161.9-61.5159.5000115.1
49S40.5Very low59.9Low92 Ų92118.1 Ų118.164%0.64362%0.618SS**  trans-75.4139.2150.852.20000108
50D50Low61.2Low125 Ų125116.3 Ų116.367%0.66861%0.608SS**  trans-42.5132.8175.4-90.7-42.9000110L52 D53D50-L52 PolarHBondContact O-N 3.49Å; D50-D53 PolarHBondContact O-N 3.43Å
51P56.7Low62.7Low87 Ų87120.1 Ų120.157%0.56561%0.609SS**G310 helixtrans-57.5-12.3-175.919.6-29.6000112.9W57P51-W57 PolarHBondContact O-NE1 2.91Å
52L58.1Low64.3Low64 Ų64119.5 Ų119.534%0.33561%0.612SS.*G310 helixtrans-86.6-10.4-174.4-61.9174.3000115.9D50 D54 W57 R61D50-L52 PolarHBondContact O-N 3.49Å; L52-D54 VanDerWaalsContact C-N 3.32Å; L52-W57 HydrophobicContact CD2-CD2 3.78Å; L52-W57 HydrophobicContact CD2-CE3 3.71Å; L52-W57 HydrophobicContact CD2-CG 4.31Å; L52-W57 HydrophobicContact CD2-CH2 4.41Å; L52-W57 HydrophobicContact CD2-CZ2 4.44Å; L52-W57 HydrophobicContact CD2-CZ3 4.03Å; L52-W57 WeakPolarHBondContact O-CB 3.48Å; L52-R61 PolarHBondContact O-NH2 2.95Å; L52-R61 VanDerWaalsContact O-NH2 3.12Å
53D65.2Low66Low140 Ų140118.5 Ų118.575%0.74961%0.61SS**G310 helixtrans-88.8-0.6177.6-104.7-4.7000113.6D50D50-D53 PolarHBondContact O-N 3.43Å
54D79.5Confident68Low105 Ų105115.1 Ų115.156%0.56161%0.607SS**SBendtrans-68.2142.8177.4-135.4-17.8000111.2L52 A56 W57 K58L52-D54 VanDerWaalsContact C-N 3.32Å; D54-A56 PolarHBondContact O-N 3Å; D54-W57 PolarHBondContact O-N 3.45Å; D54-K58 PolarHBondContact O-N 2.89Å
55V87.3Confident70.1Confident109 Ų109108.4 Ų108.466%0.66158%0.577SS**Hα-helixtrans-53.7-35.6-177.9175.30000111K58 I59V55-K58 PolarHBondContact O-N 2.77Å; V55-I59 HydrophobicContact CG1-CD1 4.18Å; V55-I59 WeakPolarHBondContact O-CG1 3.44Å; V55-I59 PolarHBondContact O-N 3.38Å
56A86.2Confident72.3Confident50 Ų50104.7 Ų104.741%0.41357%0.569SS.*Hα-helixtrans-59.9-43.817600000113.1D54 K58 I59 M60D54-A56 PolarHBondContact O-N 3Å; A56-K58 VanDerWaalsContact C-N 3.31Å; A56-K58 PolarHBondContact O-N 3.48Å; A56-I59 PolarHBondContact O-N 3.25Å; A56-M60 WeakPolarHBondContact O-CG 3.45Å; A56-M60 PolarHBondContact O-N 2.98Å
57W86Confident74.2Confident47 Ų47104.9 Ų104.918%0.17856%0.56CS.*Hα-helixtrans-67.8-32179.6-8398.7000113P51 L52 D54 M60 R61 Y65 H67P51-W57 PolarHBondContact O-NE1 2.91Å; L52-W57 HydrophobicContact CD2-CD2 3.78Å; L52-W57 HydrophobicContact CD2-CE3 3.71Å; L52-W57 HydrophobicContact CD2-CG 4.31Å; L52-W57 HydrophobicContact CD2-CH2 4.41Å; L52-W57 HydrophobicContact CD2-CZ2 4.44Å; L52-W57 HydrophobicContact CD2-CZ3 4.03Å; L52-W57 WeakPolarHBondContact O-CB 3.48Å; D54-W57 PolarHBondContact O-N 3.45Å; W57-M60 HydrophobicContact CD2-CE 4.18Å; W57-M60 HydrophobicContact CE3-CE 4.43Å; W57-M60 PolarHBondContact O-N 3.13Å; W57-R61 PolarHBondContact O-N 3.03Å; W57-Y65 AromaticContact CH2-CE1 3.81Å; W57-Y65 HydrophobicContact CH2-CE1 3.81Å; W57-Y65 AromaticContact CZ3-CD1 3.87Å; W57-Y65 HydrophobicContact CZ3-CD1 3.87Å; W57-Y65 AromaticContact CZ3-CE1 3.51Å; W57-Y65 HydrophobicContact CZ3-CE1 3.51Å; W57-H67 AromaticContact CH2-CE1 3.82Å; W57-H67 AromaticContact CH2-ND1 3.08Å; W57-H67 WeakPolarHBondContact CH2-ND1 3.36Å; W57-H67 AromaticContact CZ2-ND1 3.8Å; W57-H67 HydrophobicContact CZ3-CB 4.22Å; W57-H67 AromaticContact CZ3-ND1 3.46Å; W57-H67 WeakPolarHBondContact CZ3-ND1 3.37Å
58K88.9Confident76.5Confident141 Ų141103 Ų10361%0.61355%0.554SS**Hα-helixtrans-67.6-37.8173.9-167.6172.7-174.7171.90111.8D54 V55 A56 K62D54-K58 PolarHBondContact O-N 2.89Å; V55-K58 PolarHBondContact O-N 2.77Å; A56-K58 VanDerWaalsContact C-N 3.31Å; A56-K58 PolarHBondContact O-N 3.48Å; K58-K62 PolarHBondContact O-N 3.3Å
59I90.6Very high78.6Confident103 Ų10399.1 Ų99.153%0.52853%0.532SS..Hα-helixtrans-67.7-45.3174.1-64.7167.7000110.1V55 A56 R61 K62 I63V55-I59 HydrophobicContact CG1-CD1 4.18Å; V55-I59 WeakPolarHBondContact O-CG1 3.44Å; V55-I59 PolarHBondContact O-N 3.38Å; A56-I59 PolarHBondContact O-N 3.25Å; I59-R61 PolarHBondContact O-N 3.44Å; I59-K62 WeakPolarHBondContact O-CB 3.4Å; I59-K62 PolarHBondContact O-N 2.99Å; I59-K62 VanDerWaalsContact O-N 3.09Å; I59-I63 PolarHBondContact O-N 2.78Å
60M88Confident80.6Confident63 Ų6395.1 Ų95.131%0.3151%0.505SS..Hα-helixtrans-60.1-42.6178.5-75-161.7-92.900112.6A56 W57 K62 I63 G64 Y65A56-M60 WeakPolarHBondContact O-CG 3.45Å; A56-M60 PolarHBondContact O-N 2.98Å; W57-M60 HydrophobicContact CD2-CE 4.18Å; W57-M60 HydrophobicContact CE3-CE 4.43Å; W57-M60 PolarHBondContact O-N 3.13Å; M60-K62 VanDerWaalsContact C-N 3.31Å; M60-K62 PolarHBondContact O-N 2.92Å; M60-I63 WeakPolarHBondContact O-CG1 3.11Å; M60-I63 PolarHBondContact O-N 3.27Å; M60-G64 PolarHBondContact O-N 2.92Å; M60-Y65 HydrophobicContact CB-CD1 4.05Å; M60-Y65 HydrophobicContact CB-CG 4.32Å; M60-Y65 VanDerWaalsContact O-CB 3.24Å; M60-Y65 WeakPolarHBondContact O-CB 3.18Å; M60-Y65 PolarHBondContact O-N 2.84Å; M60-Y65 HydrophobicContact SD-CD1 4.18Å; M60-Y65 HydrophobicContact SD-CE1 4.46Å
61R87.9Confident82.3Confident143 Ų14394 Ų9454%0.5450%0.499SS..Hα-helixtrans-62.7-36174-81-175.4-76.7-179.5-7.8113.2L52 W57 I59 I63 G64L52-R61 PolarHBondContact O-NH2 2.95Å; L52-R61 VanDerWaalsContact O-NH2 3.12Å; W57-R61 PolarHBondContact O-N 3.03Å; I59-R61 PolarHBondContact O-N 3.44Å; R61-I63 PolarHBondContact O-N 2.68Å; R61-G64 PolarHBondContact O-N 2.94Å; R61-G64 VanDerWaalsContact O-N 3.13Å
62K90.7Very high83.7Confident179 Ų17992.5 Ų92.578%0.77850%0.499SS*.Hα-helixtrans-64.3-27.2177.5-88.6-174.1172.5-172.70113.6K58 I59 M60 G64K58-K62 PolarHBondContact O-N 3.3Å; I59-K62 WeakPolarHBondContact O-CB 3.4Å; I59-K62 PolarHBondContact O-N 2.99Å; I59-K62 VanDerWaalsContact O-N 3.09Å; M60-K62 VanDerWaalsContact C-N 3.31Å; M60-K62 PolarHBondContact O-N 2.92Å; K62-G64 VanDerWaalsContact C-N 3.34Å
63I88.3Confident84.9Confident128 Ų12896.1 Ų96.166%0.65652%0.523SS*.THydrogen-bonded Turntrans-92.97.8177.159173.8000112.9I59 M60 R61I59-I63 PolarHBondContact O-N 2.78Å; M60-I63 WeakPolarHBondContact O-CG1 3.11Å; M60-I63 PolarHBondContact O-N 3.27Å; R61-I63 PolarHBondContact O-N 2.68Å
64G86.9Confident85.8Confident64 Ų6494.9 Ų94.966%0.6652%0.517SS*.THydrogen-bonded Turntrans87.11617600000114.9M60 R61 K62M60-G64 PolarHBondContact O-N 2.92Å; R61-G64 PolarHBondContact O-N 2.94Å; R61-G64 VanDerWaalsContact O-N 3.13Å; K62-G64 VanDerWaalsContact C-N 3.34Å
65Y85.9Confident86Confident33 Ų3391.4 Ų91.413%0.12950%0.502CS..PPolyproline II helixtrans-76.3127.9173.9-176.5-102.8000111.3W57 M60 Q69 L71W57-Y65 AromaticContact CH2-CE1 3.81Å; W57-Y65 HydrophobicContact CH2-CE1 3.81Å; W57-Y65 AromaticContact CZ3-CD1 3.87Å; W57-Y65 HydrophobicContact CZ3-CD1 3.87Å; W57-Y65 AromaticContact CZ3-CE1 3.51Å; W57-Y65 HydrophobicContact CZ3-CE1 3.51Å; M60-Y65 HydrophobicContact CB-CD1 4.05Å; M60-Y65 HydrophobicContact CB-CG 4.32Å; M60-Y65 VanDerWaalsContact O-CB 3.24Å; M60-Y65 WeakPolarHBondContact O-CB 3.18Å; M60-Y65 PolarHBondContact O-N 2.84Å; M60-Y65 HydrophobicContact SD-CD1 4.18Å; M60-Y65 HydrophobicContact SD-CE1 4.46Å; Y65-Q69 WeakPolarHBondContact CE2-O 3.34Å; Y65-Q69 PolarHBondContact OH-O 3.31Å; Y65-Q69 VanDerWaalsContact OH-O 3.06Å; Y65-L71 HydrophobicContact CD2-CD2 3.82Å; Y65-L71 HydrophobicContact CD2-CG 4.07Å; Y65-L71 HydrophobicContact CE2-CD2 4.33Å; Y65-L71 HydrophobicContact CE2-CG 4.06Å
66E84.3Confident85.9Confident130 Ų13092.7 Ų92.761%0.60750%0.501SS*.PPolyproline II helixtrans-102.4140.2171.9-66.3-162.7170.100111G68 Q69E66-G68 PolarHBondContact O-N 3.14Å; E66-Q69 HydrophobicContact CB-CB 4.24Å; E66-Q69 WeakPolarHBondContact O-CB 3.43Å; E66-Q69 PolarHBondContact O-N 3.1Å; E66-Q69 VanDerWaalsContact O-N 3.13Å
67H82.1Confident85.8Confident134 Ų13494 Ų9462%0.6250%0.504SS*.THydrogen-bonded Turntrans-64.2129.7-178.7-173.680.1000110.6W57 Q69W57-H67 AromaticContact CH2-CE1 3.82Å; W57-H67 AromaticContact CH2-ND1 3.08Å; W57-H67 WeakPolarHBondContact CH2-ND1 3.36Å; W57-H67 AromaticContact CZ2-ND1 3.8Å; W57-H67 HydrophobicContact CZ3-CB 4.22Å; W57-H67 AromaticContact CZ3-ND1 3.46Å; W57-H67 WeakPolarHBondContact CZ3-ND1 3.37Å; H67-Q69 VanDerWaalsContact C-N 3.3Å
68G83.2Confident85.7Confident49 Ų4996.8 Ų96.851%0.50553%0.525SS..THydrogen-bonded Turntrans86.2-4.2-177.700000114.4E66E66-G68 PolarHBondContact O-N 3.14Å
69Q84.4Confident85.6Confident96 Ų9693.5 Ų93.545%0.44952%0.517SS..PPolyproline II helixtrans-97.3140.1177-165160.5-40.900110.8Y65 E66 H67 A75Y65-Q69 WeakPolarHBondContact CE2-O 3.34Å; Y65-Q69 PolarHBondContact OH-O 3.31Å; Y65-Q69 VanDerWaalsContact OH-O 3.06Å; E66-Q69 HydrophobicContact CB-CB 4.24Å; E66-Q69 WeakPolarHBondContact O-CB 3.43Å; E66-Q69 PolarHBondContact O-N 3.1Å; E66-Q69 VanDerWaalsContact O-N 3.13Å; H67-Q69 VanDerWaalsContact C-N 3.3Å; Q69-A75 HydrophobicContact CG-CB 3.36Å
70G83Confident85.4Confident8 Ų895.9 Ų95.98%0.08253%0.526CS..PPolyproline II helixtrans-67.3152.6172.600000111.3A75 V77G70-A75 WeakPolarHBondContact CA-O 3.39Å; G70-A75 VanDerWaalsContact O-CA 3.24Å; G70-A75 WeakPolarHBondContact O-CA 3.28Å; G70-A75 WeakPolarHBondContact O-CB 3.38Å; G70-V77 WeakPolarHBondContact CA-O 3.11Å
71L85.6Confident85.2Confident101 Ų10198.9 Ų98.953%0.52955%0.55SS.*SBendtrans-70157.7170.9-77.2156.7000111.1Y65 V77Y65-L71 HydrophobicContact CD2-CD2 3.82Å; Y65-L71 HydrophobicContact CD2-CG 4.07Å; Y65-L71 HydrophobicContact CE2-CD2 4.33Å; Y65-L71 HydrophobicContact CE2-CG 4.06Å; L71-V77 HydrophobicContact CB-CB 4.11Å; L71-V77 HydrophobicContact CB-CG1 4.41Å; L71-V77 HydrophobicContact CB-CG2 4.36Å; L71-V77 VanDerWaalsContact O-CB 3.31Å; L71-V77 WeakPolarHBondContact O-CB 3.46Å; L71-V77 WeakPolarHBondContact O-CG2 3.19Å; L71-V77 PolarHBondContact O-N 3.37Å
72G84.8Confident85.2Confident55 Ų5597.5 Ų97.557%0.56756%0.558SS**SBendtrans98.4169.1177.100000114.7N74 A75G72-N74 VanDerWaalsContact C-N 3.31Å; G72-N74 PolarHBondContact O-N 3.33Å; G72-A75 PolarHBondContact O-N 3.47Å
73V83.5Confident85Confident141 Ų14193.6 Ų93.686%0.85556%0.559SS**THydrogen-bonded Turntrans-56.2-39.1-168175.80000113.5
74N85.6Confident84.7Confident114 Ų11494.7 Ų94.761%0.6157%0.565SS**THydrogen-bonded Turntrans-120.335.7173-20-85.7000113G72 H76G72-N74 VanDerWaalsContact C-N 3.31Å; G72-N74 PolarHBondContact O-N 3.33Å; N74-H76 VanDerWaalsContact C-N 3.26Å; N74-H76 WeakPolarHBondContact CA-NE2 3.35Å; N74-H76 WeakPolarHBondContact CB-CE1 3.48Å; N74-H76 WeakPolarHBondContact CB-NE2 3.39Å; N74-H76 PolarHBondContact N-NE2 2.93Å; N74-H76 PolarHBondContact ND2-CE1 2.69Å; N74-H76 PolarHBondContact ND2-NE2 2.98Å; N74-H76 PolarHBondContact O-N 3Å; N74-H76 VanDerWaalsContact O-N 3.11Å; N74-H76 PolarHBondContact O-ND1 2.91Å
75A82.5Confident84.3Confident31 Ų3197.5 Ų97.526%0.25657%0.574SS.*SBendtrans55.632.116900000116.4Q69 G70 G72Q69-A75 HydrophobicContact CG-CB 3.36Å; G70-A75 WeakPolarHBondContact CA-O 3.39Å; G70-A75 VanDerWaalsContact O-CA 3.24Å; G70-A75 WeakPolarHBondContact O-CA 3.28Å; G70-A75 WeakPolarHBondContact O-CB 3.38Å; G72-A75 PolarHBondContact O-N 3.47Å
76H84.8Confident83.9Confident136 Ų136105.6 Ų105.663%0.6361%0.61SS**  trans-80.6-16.7-172.8-35.2-92.4000114.3N74N74-H76 VanDerWaalsContact C-N 3.26Å; N74-H76 WeakPolarHBondContact CA-NE2 3.35Å; N74-H76 WeakPolarHBondContact CB-CE1 3.48Å; N74-H76 WeakPolarHBondContact CB-NE2 3.39Å; N74-H76 PolarHBondContact N-NE2 2.93Å; N74-H76 PolarHBondContact ND2-CE1 2.69Å; N74-H76 PolarHBondContact ND2-NE2 2.98Å; N74-H76 PolarHBondContact O-N 3Å; N74-H76 VanDerWaalsContact O-N 3.11Å; N74-H76 PolarHBondContact O-ND1 2.91Å
77V85.3Confident83.4Confident78 Ų78104.8 Ų104.847%0.47361%0.607SS.*SBendtrans-74145.1-174.3178.20000109.6G70 L71 V79G70-V77 WeakPolarHBondContact CA-O 3.11Å; L71-V77 HydrophobicContact CB-CB 4.11Å; L71-V77 HydrophobicContact CB-CG1 4.41Å; L71-V77 HydrophobicContact CB-CG2 4.36Å; L71-V77 VanDerWaalsContact O-CB 3.31Å; L71-V77 WeakPolarHBondContact O-CB 3.46Å; L71-V77 WeakPolarHBondContact O-CG2 3.19Å; L71-V77 PolarHBondContact O-N 3.37Å; V77-V79 PolarHBondContact O-N 2.72Å
78V83.6Confident83Confident105 Ų105106.1 Ų106.164%0.63661%0.61SS**  trans-55.2129.4179.8-172.90000110.3E80V78-E80 WeakPolarHBondContact CG1-O 3.08Å
79V87.1Confident82.7Confident72 Ų72104.8 Ų104.844%0.43660%0.597SS.*SBendtrans-78.5-34.1-176.9-1760000111.6V77V77-V79 PolarHBondContact O-N 2.72Å
80E85.5Confident82.1Confident153 Ų153110.4 Ų110.472%0.71561%0.614SS**SBendtrans-103.3146.9-180-64.4-164.1166.300112.1V78 V82V78-E80 WeakPolarHBondContact CG1-O 3.08Å; E80-V82 PolarHBondContact O-N 2.98Å
81P83.2Confident81.7Confident127 Ų127111.9 Ų111.983%0.82562%0.623SS**PPolyproline II helixtrans-56.7134.3174.1-20.831000111.3A83P81-A83 PolarHBondContact O-N 2.71Å
82V88.8Confident81.2Confident114 Ų114109.5 Ų109.569%0.69162%0.623SS**PPolyproline II helixtrans-67.6121.4175.6-179.30000109.1E80 L84E80-V82 PolarHBondContact O-N 2.98Å; V82-L84 PolarHBondContact O-N 3.24Å
83A85.8Confident80.7Confident97 Ų97114.9 Ų114.980%0.80264%0.638SS**PPolyproline II helixtrans-66123.6176.800000110.4P81P81-A83 PolarHBondContact O-N 2.71Å
84L82.3Confident80.6Confident151 Ų151111.7 Ų111.779%0.79163%0.633SS**PPolyproline II helixtrans-88.2137175.7-61.6177.3000110.5V82 K86V82-L84 PolarHBondContact O-N 3.24Å; L84-K86 PolarHBondContact O-N 3.35Å
85S79.4Confident79.8Confident122 Ų122109.7 Ų109.785%0.85363%0.629SS**PPolyproline II helixtrans-68118.8172.364.10000109.7Q87S85-Q87 PolarHBondContact O-N 3.35Å
86K76.7Confident79Confident203 Ų203113.9 Ų113.988%0.88365%0.651SS**  trans-86.5107.3174.1-63-172.6-179.4-175.90109.1L84L84-K86 PolarHBondContact O-N 3.35Å
87Q73.2Confident77.9Confident114 Ų114113.4 Ų113.453%0.53365%0.647SS.*  trans-73129.3164.5-171.6179.6-56.900107.9S85 G89 S91S85-Q87 PolarHBondContact O-N 3.35Å; Q87-G89 PolarHBondContact NE2-O 3.01Å; Q87-G89 VanDerWaalsContact NE2-O 3.16Å; Q87-S91 PolarHBondContact NE2-O 2.93Å; Q87-S91 PolarHBondContact OE1-O 3.06Å
88K75.2Confident76.4Confident161 Ų161113.3 Ų113.370%0.765%0.646SS**  trans-109.8113.7176.6176.3146.8-177.4165.30109.8K97K88-K97 PolarHBondContact O-NZ 3.35Å
89G75.9Confident75Confident22 Ų22115.8 Ų115.823%0.22766%0.662CS.*SBendtrans72.7-165.8-175.900000113.1Q87 S91Q87-G89 PolarHBondContact NE2-O 3.01Å; Q87-G89 VanDerWaalsContact NE2-O 3.16Å; G89-S91 PolarHBondContact O-N 3.06Å
90R73.4Confident73Confident214 Ų214117.3 Ų117.381%0.80868%0.676SS**SBendtrans-79.332.3-178.8-58.5178.665.9-179.32.1114.7G92R90-G92 PolarHBondContact O-N 3.32Å
91S72.6Confident70.9Confident38 Ų38112.5 Ų112.527%0.26666%0.659SS.*PPolyproline II helixtrans-70.3127.3173.2-70.90000110.1Q87 G89Q87-S91 PolarHBondContact NE2-O 2.93Å; Q87-S91 PolarHBondContact OE1-O 3.06Å; G89-S91 PolarHBondContact O-N 3.06Å
92G75.5Confident69Low52 Ų52111.3 Ų111.354%0.53665%0.654SS.*PPolyproline II helixtrans-56.9150.8179.200000113.3R90 G94 S95R90-G92 PolarHBondContact O-N 3.32Å; G92-G94 PolarHBondContact O-N 2.9Å; G92-S95 WeakPolarHBondContact O-CB 3.28Å; G92-S95 PolarHBondContact O-N 3.33Å
93L75.6Confident66.9Low168 Ų168113.1 Ų113.188%0.8866%0.66SS**THydrogen-bonded Turntrans-54.5128.9172.8-74.8163.5000109.8
94G79.9Confident64.7Low73 Ų73117.3 Ų117.375%0.75366%0.66SS**THydrogen-bonded Turntrans94-7.9-173.200000114.8G92 V96G92-G94 PolarHBondContact O-N 2.9Å; G94-V96 VanDerWaalsContact C-N 3.29Å; G94-V96 PolarHBondContact O-N 3.48Å
95S69Low62.8Low73 Ų73117.7 Ų117.751%0.5166%0.655SS.*  trans-74.483.4171.6-166.40000110.1G92 K97G92-S95 WeakPolarHBondContact O-CB 3.28Å; G92-S95 PolarHBondContact O-N 3.33Å; S95-K97 PolarHBondContact O-N 3.34Å
96V65.6Low61.3Low119 Ų119119.1 Ų119.172%0.72165%0.652SS**  trans-74.8111.9175.9-178.10000107.9G94 T98G94-V96 VanDerWaalsContact C-N 3.29Å; G94-V96 PolarHBondContact O-N 3.48Å; V96-T98 VanDerWaalsContact C-N 3.26Å; V96-T98 PolarHBondContact O-N 3.4Å
97K62.3Low59.7Low126 Ų126118.2 Ų118.255%0.54865%0.65SS.*  trans-67.590.1168.4-63.7-173.9-173.9-176.40107.6K88 S95 T99K88-K97 PolarHBondContact O-NZ 3.35Å; S95-K97 PolarHBondContact O-N 3.34Å; K97-T99 PolarHBondContact O-N 3.25Å; K97-T99 VanDerWaalsContact O-N 3.16Å
98T54.4Low58.5Low75 Ų75115.9 Ų115.946%0.4665%0.647SS.*  trans-60.8118.5170.446.80000107.4V96 S100 S101V96-T98 VanDerWaalsContact C-N 3.26Å; V96-T98 PolarHBondContact O-N 3.4Å; T98-S100 PolarHBondContact O-N 3.47Å; T98-S101 PolarHBondContact O-N 3.42Å; T98-S101 PolarHBondContact O-OG 2.97Å; T98-S101 PolarHBondContact OG1-OG 3.13Å
99T52.7Low57.1Low157 Ų157117.8 Ų117.896%0.96366%0.656SS**THydrogen-bonded Turntrans-60.5-0.217745.30000113.6K97K97-T99 PolarHBondContact O-N 3.25Å; K97-T99 VanDerWaalsContact O-N 3.16Å
100S45.3Very low56Low104 Ų104122.7 Ų122.773%0.72769%0.686SS**THydrogen-bonded Turntrans-101.5-2.3172.556.30000115T98 S102T98-S100 PolarHBondContact O-N 3.47Å; S100-S102 PolarHBondContact O-N 3.22Å
101S43.1Very low55Low53 Ų53114.4 Ų114.437%0.37167%0.668SS.*  trans-99.681.2167.269.80000108.9T98 D103T98-S101 PolarHBondContact O-N 3.42Å; T98-S101 PolarHBondContact O-OG 2.97Å; T98-S101 PolarHBondContact OG1-OG 3.13Å; S101-D103 PolarHBondContact O-N 3.01Å; S101-D103 VanDerWaalsContact O-N 3.1Å
102S41.9Very low54Low101 Ų101122 Ų12271%0.70670%0.699SS**  trans-41.7118.8147.152.10000107.1S100 K104S100-S102 PolarHBondContact O-N 3.22Å; S102-K104 VanDerWaalsContact C-N 3.34Å; S102-K104 PolarHBondContact O-N 3.5Å
103D45.2Very low53.3Low153 Ų153127.2 Ų127.282%0.81871%0.714SS**  trans22.772.6159.6-54.7-41.5000112.9S101 K105S101-D103 PolarHBondContact O-N 3.01Å; S101-D103 VanDerWaalsContact O-N 3.1Å; D103-K105 PolarHBondContact O-N 3.36Å
104K40.6Very low52.5Low185 Ų185129.1 Ų129.180%0.80471%0.711SS**  trans-68.574.8148.9-73.5-168.6-179.1-177.40104.2S102 I106S102-K104 VanDerWaalsContact C-N 3.34Å; S102-K104 PolarHBondContact O-N 3.5Å; K104-I106 PolarHBondContact O-N 2.76Å
105K42.1Very low51.8Low158 Ų158133.1 Ų133.169%0.68771%0.71SS**  trans-39.6102.9156.2-177.3-171.9-169.8-153.40102.1D103 E107 S108D103-K105 PolarHBondContact O-N 3.36Å; K105-E107 PolarHBondContact O-N 2.9Å; K105-S108 WeakPolarHBondContact CE-OG 3.36Å; K105-S108 WeakPolarHBondContact CG-OG 3.42Å
106I46.7Very low51.8Low153 Ų153131 Ų13179%0.78570%0.695SS**  trans-41116.1165.8-67166.3000102.7K104 S108K104-I106 PolarHBondContact O-N 2.76Å; I106-S108 WeakPolarHBondContact O-CA 3.28Å; I106-S108 PolarHBondContact O-N 3.37Å; I106-S108 PolarHBondContact O-OG 2.97Å; I106-S108 VanDerWaalsContact O-OG 3.06Å
107E43.7Very low52.2Low183 Ų183131 Ų13186%0.85570%0.701SS**  trans-45.8101-173.5-160168-150.800104.9K105 F109K105-E107 PolarHBondContact O-N 2.9Å; E107-F109 PolarHBondContact O-N 3.08Å
108S48.1Very low52.4Low66 Ų66128.9 Ų128.946%0.46270%0.695SS.*  trans-69.3110.4-160.9-580000102.9K105 I106 S110K105-S108 WeakPolarHBondContact CE-OG 3.36Å; K105-S108 WeakPolarHBondContact CG-OG 3.42Å; I106-S108 WeakPolarHBondContact O-CA 3.28Å; I106-S108 PolarHBondContact O-N 3.37Å; I106-S108 PolarHBondContact O-OG 2.97Å; I106-S108 VanDerWaalsContact O-OG 3.06Å; S108-S110 WeakPolarHBondContact O-CA 3.46Å; S108-S110 PolarHBondContact O-N 3.14Å
109F46.3Very low53.1Low201 Ų201135.9 Ų135.988%0.88271%0.713SS**  trans-40.2104.8-173.7-140.8-96.8000107E107 G111E107-F109 PolarHBondContact O-N 3.08Å; F109-G111 PolarHBondContact O-N 3.47Å
110S52.2Low53.8Low124 Ų124132 Ų13287%0.86769%0.687SS**  trans-84.76.1-170.5700000111.5S108S108-S110 WeakPolarHBondContact O-CA 3.46Å; S108-S110 PolarHBondContact O-N 3.14Å
111G52.2Low54.9Low41 Ų41130 Ų13042%0.42367%0.667SS.*SBendtrans-66.1140.5165.700000108.7F109 L113F109-G111 PolarHBondContact O-N 3.47Å; G111-L113 PolarHBondContact O-N 2.95Å
112E52.3Low56.1Low197 Ų197129.6 Ų129.692%0.92166%0.662SS**  trans-49112164.6-77.5-179.7148.900107.4Y114E112-Y114 PolarHBondContact O-N 3.45Å
113L60.1Low57.6Low162 Ų162132.7 Ų132.785%0.84866%0.659SS**  trans-55115.6172.9-121151.8000105.5G111 Q115G111-L113 PolarHBondContact O-N 2.95Å; L113-Q115 VanDerWaalsContact C-N 3.34Å; L113-Q115 PolarHBondContact O-N 2.96Å
114Y59.1Low58.7Low207 Ų207128 Ų12881%0.81263%0.632SS**  trans-60.6102.2-178.6-175.1-91.6000107.9E112E112-Y114 PolarHBondContact O-N 3.45Å
115Q65.4Low60Low158 Ų158124.1 Ų124.174%0.73862%0.617SS**  trans-96.9110.7178.7-166164.616.900106.6L113 S117L113-Q115 VanDerWaalsContact C-N 3.34Å; L113-Q115 PolarHBondContact O-N 2.96Å; Q115-S117 PolarHBondContact O-N 2.85Å
116S68.1Low61.1Low28 Ų28117.5 Ų117.520%0.19659%0.593CS.*  trans-54130.7178.2-174.40000109.7N118 L121S116-N118 PolarHBondContact O-N 3.34Å; S116-N118 VanDerWaalsContact O-N 3.15Å; S116-N118 PolarHBondContact OG-N 3.04Å; S116-L121 WeakPolarHBondContact OG-CB 3.26Å
117S73.6Confident61.8Low120 Ų120112.9 Ų112.984%0.83957%0.573SS**SBendtrans-62.4-19.7174.7-6.70000111.7Q115 R119Q115-S117 PolarHBondContact O-N 2.85Å; S117-R119 PolarHBondContact O-N 2.69Å
118N68.2Low62.6Low80 Ų80109.9 Ų109.943%0.42856%0.563SS.*SBendtrans-82114174.1-166.4-12.3000109.7S116 N120 L121S116-N118 PolarHBondContact O-N 3.34Å; S116-N118 VanDerWaalsContact O-N 3.15Å; S116-N118 PolarHBondContact OG-N 3.04Å; N118-N120 PolarHBondContact O-N 3.41Å; N118-N120 WeakPolarHBondContact OD1-CB 3.4Å; N118-N120 PolarHBondContact OD1-N 3.29Å; N118-L121 HydrophobicContact CB-CB 4.32Å; N118-L121 HydrophobicContact CB-CD1 3.92Å; N118-L121 HydrophobicContact CB-CG 4.1Å; N118-L121 PolarHBondContact O-N 3.3Å
119R67.8Low63.1Low222 Ų222113.5 Ų113.584%0.83858%0.577SS**THydrogen-bonded Turntrans-58.7-19.5179.3-71.6-171.3-175.6-1751.6113.8S117 L121 V122S117-R119 PolarHBondContact O-N 2.69Å; R119-L121 VanDerWaalsContact C-N 3.33Å; R119-V122 WeakPolarHBondContact O-CG2 3.31Å
120N68.3Low63.5Low77 Ų77108.8 Ų108.841%0.41256%0.562SS.*THydrogen-bonded Turntrans-86.8-1.6178.6-72.811.2000113.2N118 M144N118-N120 PolarHBondContact O-N 3.41Å; N118-N120 WeakPolarHBondContact OD1-CB 3.4Å; N118-N120 PolarHBondContact OD1-N 3.29Å; N120-M144 WeakPolarHBondContact CB-O 3.35Å; N120-M144 PolarHBondContact ND2-O 3.38Å; N120-M144 WeakPolarHBondContact O-CA 3.29Å
121L68.5Low63.6Low61 Ų61113.7 Ų113.732%0.31956%0.563SS.*SBendtrans-115.951.4179.2-67.2176.7000109.9S116 N118 R119 W142S116-L121 WeakPolarHBondContact OG-CB 3.26Å; N118-L121 HydrophobicContact CB-CB 4.32Å; N118-L121 HydrophobicContact CB-CD1 3.92Å; N118-L121 HydrophobicContact CB-CG 4.1Å; N118-L121 PolarHBondContact O-N 3.3Å; R119-L121 VanDerWaalsContact C-N 3.33Å; L121-W142 HydrophobicContact CD2-CZ2 3.54Å
122V68.8Low63.6Low45 Ų45116.1 Ų116.127%0.27357%0.569SS.*SBendtrans-121.8142.6-177.9-172.50000108.4R119 H124R119-V122 WeakPolarHBondContact O-CG2 3.31Å; V122-H124 PolarHBondContact O-CD2 3.08Å; V122-H124 VanDerWaalsContact O-CD2 3.22Å; V122-H124 PolarHBondContact O-N 3.19Å; V122-H124 PolarHBondContact O-NE2 2.88Å
123W72.8Confident63.8Low166 Ų166109.7 Ų109.763%0.62954%0.544SS*.EExtended strand (participates in β ladder)trans-67.8122.7170.3-70.390.4000109.1W140 W142W123-W140 HydrophobicContact CB-CE3 4.14Å; W123-W140 HydrophobicContact CE3-CB 4.35Å; W123-W142 HydrophobicContact CD2-CB 4.09Å; W123-W142 HydrophobicContact CE3-CB 3.78Å; W123-W142 HydrophobicContact CH2-CB 3.99Å; W123-W142 HydrophobicContact CZ2-CB 4.29Å; W123-W142 HydrophobicContact CZ3-CB 3.73Å
124H67.9Low63.6Low54 Ų54107.3 Ų107.325%0.2555%0.547CS..EExtended strand (participates in β ladder)trans-95146.7175.9-62.6-68.4000109.4V122 G126 W140 S141 S143V122-H124 PolarHBondContact O-CD2 3.08Å; V122-H124 VanDerWaalsContact O-CD2 3.22Å; V122-H124 PolarHBondContact O-N 3.19Å; V122-H124 PolarHBondContact O-NE2 2.88Å; H124-G126 PolarHBondContact O-N 3.08Å; H124-W140 CarbonylContact O-C 3.32Å; H124-W140 WeakPolarHBondContact O-CA 3.22Å; H124-S141 PolarHBondContact N-O 3.27Å; H124-S141 PolarHBondContact O-N 3.34Å; H124-S141 VanDerWaalsContact O-O 3.12Å; H124-S143 PolarHBondContact CD2-OG 3.05Å
125E68.9Low64Low104 Ų104100.8 Ų100.849%0.48653%0.526SS..EExtended strand (participates in β ladder)trans-61.7128167.9-168.1168.3-161.500107.3Y138 W140E125-Y138 HydrophobicContact CG-CD1 4.45Å; E125-Y138 WeakPolarHBondContact OE1-CD1 3.37Å; E125-Y138 VanDerWaalsContact OE1-CE1 3.25Å; E125-Y138 WeakPolarHBondContact OE1-CE1 3.48Å; E125-W140 HydrophobicContact CB-CZ3 4.44Å
126G63.9Low63.9Low18 Ų1896.2 Ų96.219%0.18652%0.521CS..PPolyproline II helixtrans-57.5139.3-17600000109.8H124 D128 T139H124-G126 PolarHBondContact O-N 3.08Å; G126-D128 VanDerWaalsContact C-N 3.25Å; G126-D128 PolarHBondContact O-N 3.46Å; G126-T139 WeakPolarHBondContact CA-O 3.19Å; G126-T139 PolarHBondContact N-O 3.05Å
127C62.5Low63.7Low56 Ų5697.1 Ų97.138%0.37852%0.524SS..  trans-94.116.4-17160000112.4D129 C148C127-D129 VanDerWaalsContact C-N 3.3Å; C127-D129 PolarHBondContact O-N 2.79Å; C127-C148 HydrophobicContact CB-CB 3.56Å; C127-C148 WeakPolarHBondContact CB-SG 3.45Å; C127-C148 VanDerWaalsContact SG-CA 3.52Å; C127-C148 WeakPolarHBondContact SG-CB 2.91Å; C127-C148 CovalentContact SG-SG 1.98Å; C127-C148 PolarHBondContact SG-SG 3.49Å
128D59.8Low63.3Low121 Ų12199.6 Ų99.665%0.64752%0.517SS*.  trans-63.498.4167.5-66.1-28.5000107.3G126 D130G126-D128 VanDerWaalsContact C-N 3.25Å; G126-D128 PolarHBondContact O-N 3.46Å; D128-D130 PolarHBondContact O-N 3.01Å
129D58.1Low63.2Low141 Ų14199.3 Ų99.375%0.75452%0.518SS*.  trans-73.4-0.8174.753.5-25.5000112.2C127 Y131C127-D129 VanDerWaalsContact C-N 3.3Å; C127-D129 PolarHBondContact O-N 2.79Å; D129-Y131 VanDerWaalsContact O-CD2 3.22Å; D129-Y131 WeakPolarHBondContact O-CD2 3.42Å; D129-Y131 PolarHBondContact O-N 3.26Å
130D55.7Low63.3Low103 Ų10395.8 Ų95.855%0.55151%0.505SS*.  trans-74.393.6172.1-140.723.9000108.5D128 T132D128-D130 PolarHBondContact O-N 3.01Å; D130-T132 HydrophobicContact CB-CG2 4.4Å; D130-T132 VanDerWaalsContact CG-CG2 3.43Å; D130-T132 PolarHBondContact O-N 3.27Å; D130-T132 VanDerWaalsContact OD1-CG2 3.28Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.37Å; D130-T132 WeakPolarHBondContact OD2-CG2 3.25Å; D130-T132 PolarHBondContact OD2-OG1 3.46Å
131Y53.5Low63.3Low227 Ų22793.8 Ų93.889%0.8950%0.496SS*.THydrogen-bonded Turntrans-58.622.6167.5-71.9-89.8000113.2D129D129-Y131 VanDerWaalsContact O-CD2 3.22Å; D129-Y131 WeakPolarHBondContact O-CD2 3.42Å; D129-Y131 PolarHBondContact O-N 3.26Å
132T53Low63.2Low92 Ų9296.7 Ų96.756%0.56450%0.503SS*.THydrogen-bonded Turntrans-93.9-3.9-174.360.70000113.1D130 A134D130-T132 HydrophobicContact CB-CG2 4.4Å; D130-T132 VanDerWaalsContact CG-CG2 3.43Å; D130-T132 PolarHBondContact O-N 3.27Å; D130-T132 VanDerWaalsContact OD1-CG2 3.28Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.37Å; D130-T132 WeakPolarHBondContact OD2-CG2 3.25Å; D130-T132 PolarHBondContact OD2-OG1 3.46Å; T132-A134 VanDerWaalsContact C-N 3.27Å; T132-A134 PolarHBondContact O-N 3.48Å
133T55.4Low63Low62 Ų6295.1 Ų95.138%0.3849%0.494SS..  trans-63.393.5166.114.20000109D135 G136 D137T133-D135 PolarHBondContact O-N 3.13Å; T133-G136 PolarHBondContact O-N 3.09Å; T133-D137 HydrophobicContact CG2-CB 4.26Å
134A57.2Low62.4Low111 Ų11192.6 Ų92.692%0.91749%0.491SS*.THydrogen-bonded Turntrans-58.2-9.8-176.500000113.5T132T132-A134 VanDerWaalsContact C-N 3.27Å; T132-A134 PolarHBondContact O-N 3.48Å
135D67.7Low62.1Low70 Ų7097.1 Ų97.137%0.37451%0.512SS..THydrogen-bonded Turntrans-108.4-0.918052.8-9000115.5T133 D137T133-D135 PolarHBondContact O-N 3.13Å; D135-D137 HydrophobicContact CB-CB 4.22Å; D135-D137 VanDerWaalsContact CG-CB 3.41Å; D135-D137 WeakPolarHBondContact OD1-CB 3.38Å
136G61.4Low61.6Low62 Ų6294.9 Ų94.964%0.63952%0.517SS*.  trans70.945.5173.300000113.1T133T133-G136 PolarHBondContact O-N 3.09Å
137D65.2Low61.3Low48 Ų48101.8 Ų101.826%0.25754%0.544SS..  trans-122.5102.1-151.6171.7-98.2000104.6T133 D135 T139T133-D137 HydrophobicContact CG2-CB 4.26Å; D135-D137 HydrophobicContact CB-CB 4.22Å; D135-D137 VanDerWaalsContact CG-CB 3.41Å; D135-D137 WeakPolarHBondContact OD1-CB 3.38Å; D137-T139 PolarHBondContact O-N 3.43Å
138Y64.7Low61Low172 Ų172102 Ų10268%0.67555%0.546SS*.  trans-78.3113.1-174.6-62.7-73.5000109.7E125 W140E125-Y138 HydrophobicContact CG-CD1 4.45Å; E125-Y138 WeakPolarHBondContact OE1-CD1 3.37Å; E125-Y138 VanDerWaalsContact OE1-CE1 3.25Å; E125-Y138 WeakPolarHBondContact OE1-CE1 3.48Å; Y138-W140 VanDerWaalsContact O-CD1 3.29Å
139T66.2Low60.8Low74 Ų7499.2 Ų99.245%0.45453%0.534SS..  trans-69.3138.8168.9-45.20000108.5G126 D137G126-T139 WeakPolarHBondContact CA-O 3.19Å; G126-T139 PolarHBondContact N-O 3.05Å; D137-T139 PolarHBondContact O-N 3.43Å
140W70.1Confident60.7Low148 Ų14898.9 Ų98.956%0.56154%0.537SS*.EExtended strand (participates in β ladder)trans-112.6138.1173.3-68.674.3000109W123 H124 E125 Y138W123-W140 HydrophobicContact CB-CE3 4.14Å; W123-W140 HydrophobicContact CE3-CB 4.35Å; H124-W140 CarbonylContact O-C 3.32Å; H124-W140 WeakPolarHBondContact O-CA 3.22Å; E125-W140 HydrophobicContact CB-CZ3 4.44Å; Y138-W140 VanDerWaalsContact O-CD1 3.29Å
141S68.4Low60.7Low34 Ų3498.2 Ų98.224%0.23853%0.534CS..EExtended strand (participates in β ladder)trans-120.2147.2177.4570000110.6H124H124-S141 PolarHBondContact N-O 3.27Å; H124-S141 PolarHBondContact O-N 3.34Å; H124-S141 VanDerWaalsContact O-O 3.12Å
142W66.3Low60.7Low123 Ų12390 Ų9047%0.46651%0.509SS..EExtended strand (participates in β ladder)trans-103.1130.6171.9176.292.1000108.3L121 W123 M144L121-W142 HydrophobicContact CD2-CZ2 3.54Å; W123-W142 HydrophobicContact CD2-CB 4.09Å; W123-W142 HydrophobicContact CE3-CB 3.78Å; W123-W142 HydrophobicContact CH2-CB 3.99Å; W123-W142 HydrophobicContact CZ2-CB 4.29Å; W123-W142 HydrophobicContact CZ3-CB 3.73Å; W142-M144 HydrophobicContact CH2-CB 4.48Å; W142-M144 HydrophobicContact CH2-CE 4.25Å
143S65.4Low61Low12 Ų1291.9 Ų91.98%0.08452%0.515CS..  trans-141.3146.9172.462.50000109.8H124 E145H124-S143 PolarHBondContact CD2-OG 3.05Å; S143-E145 VanDerWaalsContact C-N 3.28Å; S143-E145 VanDerWaalsContact CB-O 3.31Å; S143-E145 WeakPolarHBondContact CB-O 3.07Å; S143-E145 PolarHBondContact OG-O 3.07Å
144M59.5Low61.3Low113 Ų11393 Ų9356%0.55753%0.526SS*.SBendtrans-79.1-17.6174.4-163.8178.5-69.700111.9N120 W142N120-M144 WeakPolarHBondContact CB-O 3.35Å; N120-M144 PolarHBondContact ND2-O 3.38Å; N120-M144 WeakPolarHBondContact O-CA 3.29Å; W142-M144 HydrophobicContact CH2-CB 4.48Å; W142-M144 HydrophobicContact CH2-CE 4.25Å
145E61.3Low61.8Low148 Ų14893 Ų9369%0.69251%0.507SS*.SBendtrans-115.1126.1177.8-72.5156.4-175.500106.2S143 E147S143-E145 VanDerWaalsContact C-N 3.28Å; S143-E145 VanDerWaalsContact CB-O 3.31Å; S143-E145 WeakPolarHBondContact CB-O 3.07Å; S143-E145 PolarHBondContact OG-O 3.07Å; E145-E147 PolarHBondContact O-N 3.11Å
146G57.3Low61.6Low57 Ų5793.4 Ų93.459%0.58851%0.509SS*.SBendtrans-67.78.9-173.400000115
147E58.6Low61.8Low163 Ų16395.5 Ų95.576%0.76251%0.506SS*.SBendtrans-96.6143170.6-69.7-177.2176.300108.8E145 P149E145-E147 PolarHBondContact O-N 3.11Å; E147-P149 WeakPolarHBondContact O-CD 3.31Å; E147-P149 VanDerWaalsContact O-N 3.11Å
148C55.9Low62Low61 Ų6198.1 Ų98.141%0.41253%0.528SS..  trans-53.6122.4174.4-161.50000109C127 T150C127-C148 HydrophobicContact CB-CB 3.56Å; C127-C148 WeakPolarHBondContact CB-SG 3.45Å; C127-C148 VanDerWaalsContact SG-CA 3.52Å; C127-C148 WeakPolarHBondContact SG-CB 2.91Å; C127-C148 CovalentContact SG-SG 1.98Å; C127-C148 PolarHBondContact SG-SG 3.49Å; C148-T150 PolarHBondContact O-N 3.17Å
149P56.8Low62.2Low63 Ų6396.5 Ų96.541%0.40953%0.53SS..  trans-63.9105.2-178.622.7-29.7000108E147 N151E147-P149 WeakPolarHBondContact O-CD 3.31Å; E147-P149 VanDerWaalsContact O-N 3.11Å; P149-N151 HydrophobicContact CB-CB 4.49Å; P149-N151 PolarHBondContact O-N 3.45Å
150T55.4Low62.5Low133 Ų13398.3 Ų98.382%0.81654%0.536SS*.  trans-76.412.1170.251.40000111.5C148 S152C148-T150 PolarHBondContact O-N 3.17Å; T150-S152 VanDerWaalsContact C-N 3.33Å; T150-S152 PolarHBondContact O-N 3.5Å
151N55.1Low62.8Low89 Ų8995.4 Ų95.448%0.47653%0.53SS..  trans-52.9101176.6-63.8-5.3000107.4P149 L153P149-N151 HydrophobicContact CB-CB 4.49Å; P149-N151 PolarHBondContact O-N 3.45Å; N151-L153 PolarHBondContact O-N 3.26Å
152S54.8Low63.2Low54 Ų5496.5 Ų96.538%0.37854%0.538SS..  trans-59.8141.3179.476.90000106.7T150 S154 E155T150-S152 VanDerWaalsContact C-N 3.33Å; T150-S152 PolarHBondContact O-N 3.5Å; S152-S154 PolarHBondContact O-N 2.99Å; S152-S154 WeakPolarHBondContact OG-CB 3.29Å; S152-S154 PolarHBondContact OG-OG 3.05Å; S152-E155 PolarHBondContact O-N 3.02Å
153L58.3Low63.8Low132 Ų13295.2 Ų95.269%0.69155%0.545SS*.Hα-helixtrans-47.2-28.5178.5-140.9156000112N151 E155 L156 N157N151-L153 PolarHBondContact O-N 3.26Å; L153-E155 PolarHBondContact O-N 3.27Å; L153-L156 PolarHBondContact O-N 3.48Å; L153-N157 VanDerWaalsContact O-CG 3.31Å; L153-N157 PolarHBondContact O-N 3.41Å; L153-N157 VanDerWaalsContact O-N 3.08Å
154S62.4Low64.6Low87 Ų87101.3 Ų101.361%0.60858%0.577SS**Hα-helixtrans-57.1-38.3172.4-33.30000115S152S152-S154 PolarHBondContact O-N 2.99Å; S152-S154 WeakPolarHBondContact OG-CB 3.29Å; S152-S154 PolarHBondContact OG-OG 3.05Å
155E66.1Low65.7Low109 Ų109100.6 Ų100.651%0.50957%0.572SS.*Hα-helixtrans-73.8-37.8180-68.9178.1174.800111.3S152 L153 S158S152-E155 PolarHBondContact O-N 3.02Å; L153-E155 PolarHBondContact O-N 3.27Å; E155-S158 PolarHBondContact O-N 3.42Å; E155-S158 PolarHBondContact O-OG 3.09Å
156L64.4Low66.8Low79 Ų7998.1 Ų98.141%0.41457%0.569SS.*Hα-helixtrans-69.2-33.5175.5-76.1165.9000112.6L153 S158 L159 I160L153-L156 PolarHBondContact O-N 3.48Å; L156-S158 PolarHBondContact O-N 2.9Å; L156-S158 VanDerWaalsContact O-N 3.09Å; L156-L159 PolarHBondContact O-N 2.78Å; L156-I160 HydrophobicContact CB-CD1 4.44Å; L156-I160 PolarHBondContact O-N 3.37Å
157N66.1Low67.8Low107 Ų107103 Ų10357%0.57258%0.577SS**THydrogen-bonded Turntrans-60.3-19.9175.5-76.5-15.5000113.3L153L153-N157 VanDerWaalsContact O-CG 3.31Å; L153-N157 PolarHBondContact O-N 3.41Å; L153-N157 VanDerWaalsContact O-N 3.08Å
158S69.7Low68.9Low103 Ų10397.5 Ų97.572%0.7256%0.558SS**THydrogen-bonded Turntrans-82.2-21174.273.70000113.7E155 L156E155-S158 PolarHBondContact O-N 3.42Å; E155-S158 PolarHBondContact O-OG 3.09Å; L156-S158 PolarHBondContact O-N 2.9Å; L156-S158 VanDerWaalsContact O-N 3.09Å
159L68.1Low70.1Confident138 Ų138100.3 Ų100.372%0.72357%0.569SS**THydrogen-bonded Turntrans-97-26.4-178.8-73.1162.5000112.4L156L156-L159 PolarHBondContact O-N 2.78Å
160I72.3Confident71.3Confident112 Ų112100.1 Ų100.157%0.57458%0.578SS**SBendtrans-99.3111.8-177.6-57.3175.3000108.7L156L156-I160 HydrophobicContact CB-CD1 4.44Å; L156-I160 PolarHBondContact O-N 3.37Å
161I76Confident72.8Confident87 Ų8799.3 Ų99.345%0.44658%0.575SS.*  trans-68.4132.3171.4-56.1172.8000107.9E165 E167 A168I161-E165 HydrophobicContact CG2-CB 3.81Å; I161-E165 HydrophobicContact CG2-CG 4.34Å; I161-E167 HydrophobicContact CD1-CB 4.41Å; I161-E167 HydrophobicContact CG2-CB 4.38Å; I161-A168 HydrophobicContact CG2-CB 3.86Å
162S77.9Confident74.3Confident56 Ų56100.6 Ų100.639%0.39259%0.588SS.*  trans-62.5138.3175.8170.90000110D164 E165S162-D164 PolarHBondContact O-N 3.22Å; S162-E165 WeakPolarHBondContact O-CB 3.5Å; S162-E165 PolarHBondContact O-N 3.35Å
163P79Confident75.8Confident97 Ų97103.4 Ų103.463%0.6360%0.598SS**THydrogen-bonded Turntrans-62.2-19.6-174.325.2-35.6000113.9
164D81.6Confident77.2Confident139 Ų139105.9 Ų105.974%0.74361%0.606SS**THydrogen-bonded Turntrans-88.7-8.4179.5-60.7-41.5000113.2S162S162-D164 PolarHBondContact O-N 3.22Å
165E83.3Confident78.4Confident99 Ų99107.8 Ų107.846%0.46361%0.605SS.*SBendtrans-75142.6-179.7-67.4-70160.600110.7I161 S162 E167 A168 L169I161-E165 HydrophobicContact CG2-CB 3.81Å; I161-E165 HydrophobicContact CG2-CG 4.34Å; S162-E165 WeakPolarHBondContact O-CB 3.5Å; S162-E165 PolarHBondContact O-N 3.35Å; E165-E167 PolarHBondContact O-N 3.25Å; E165-A168 PolarHBondContact O-N 3.35Å; E165-L169 PolarHBondContact O-N 1.98Å
166P82.8Confident79.5Confident96 Ų96107.5 Ų107.562%0.62361%0.607SS**THydrogen-bonded Turntrans-61.6-23.6-176.226.6-35000112.9A168 L169P166-A168 VanDerWaalsContact C-N 3.33Å; P166-L169 PolarHBondContact O-N 3.16Å
167E79.5Confident80.6Confident160 Ų160107.3 Ų107.375%0.74861%0.606SS**THydrogen-bonded Turntrans-72.7-24.3176.6-65.5170.6-178.400112.8I161 E165I161-E167 HydrophobicContact CD1-CB 4.41Å; I161-E167 HydrophobicContact CG2-CB 4.38Å; E165-E167 PolarHBondContact O-N 3.25Å
168A81.2Confident81.6Confident46 Ų46107.2 Ų107.238%0.3861%0.605SS.*THydrogen-bonded Turntrans-87.4-16.917300000112.6I161 E165 P166 G170I161-A168 HydrophobicContact CG2-CB 3.86Å; E165-A168 PolarHBondContact O-N 3.35Å; P166-A168 VanDerWaalsContact C-N 3.33Å; A168-G170 PolarHBondContact O-N 3.19Å
169L80.6Confident82.5Confident121 Ų121106 Ų10663%0.63459%0.588SS**  trans-89.884.9-178.8-62.8178.4000110.8E165 P166E165-L169 PolarHBondContact O-N 1.98Å; P166-L169 PolarHBondContact O-N 3.16Å
170G83.6Confident83.4Confident58 Ų58102.9 Ų102.960%0.59857%0.573SS**PPolyproline II helixtrans-91.4166.5171.500000113.7A168A168-G170 PolarHBondContact O-N 3.19Å
171P85.7Confident84.1Confident117 Ų117103.7 Ų103.776%0.7658%0.577SS**PPolyproline II helixtrans-61.2151.8166.127.9-32.9000110.5I173P171-I173 PolarHBondContact O-N 3.4Å
172P87.4Confident84.5Confident115 Ų115109.2 Ų109.275%0.74760%0.598SS**PPolyproline II helixtrans-55.7133.5177-23.733.2000111.9E174P172-E174 PolarHBondContact O-N 3.41Å
173I86.6Confident84.9Confident114 Ų114109.4 Ų109.459%0.58560%0.598SS**  trans-84.6111.6173.8-57.4172.4000107.7P171 E175 E179P171-I173 PolarHBondContact O-N 3.4Å; I173-E175 WeakPolarHBondContact CG2-O 3.43Å; I173-E179 HydrophobicContact CG2-CG 4.21Å
174E87.4Confident85.4Confident184 Ų184107.7 Ų107.786%0.8659%0.589SS**  trans-94.5-25.1-179-63.2-171.8174.500113.1P172P172-E174 PolarHBondContact O-N 3.41Å
175E87.7Confident85.9Confident126 Ų126103.3 Ų103.359%0.58957%0.565SS**  trans-121.2124.5-176.5-65-179.2179.100110.1I173I173-E175 WeakPolarHBondContact CG2-O 3.43Å
176L89Confident86.2Confident104 Ų104105.2 Ų105.255%0.54557%0.574SS.*  trans-88.3-10.4179-156.177.5000112.8N178 E179 L192L176-N178 PolarHBondContact O-N 2.78Å; L176-N178 VanDerWaalsContact O-N 3.08Å; L176-E179 HydrophobicContact CD1-CB 4.32Å; L176-E179 HydrophobicContact CD1-CG 4.12Å; L176-E179 PolarHBondContact O-N 2.85Å; L176-L192 HydrophobicContact CB-CD1 4.17Å; L176-L192 HydrophobicContact CD2-CD1 4.5Å; L176-L192 HydrophobicContact CD2-CD2 4.05Å
177D86.9Confident86.6Confident75 Ų75105 Ų10540%0.40157%0.566SS.*THydrogen-bonded Turntrans-61.9-21.8-172.2-67.8-40.6000113.4I185 L192D177-I185 WeakPolarHBondContact O-CD1 3.44Å; D177-L192 WeakPolarHBondContact OD1-CD1 3.31Å
178N86.9Confident87.1Confident104 Ų10498.1 Ų98.156%0.55654%0.536SS*.THydrogen-bonded Turntrans-109.16.4-176-56.2-46.4000113.5L176 D180L176-N178 PolarHBondContact O-N 2.78Å; L176-N178 VanDerWaalsContact O-N 3.08Å; N178-D180 VanDerWaalsContact C-N 3.26Å; N178-D180 PolarHBondContact O-N 2.76Å
179E88.9Confident87.5Confident77 Ų7799.9 Ų99.936%0.3654%0.536SS..  trans-86.263.3-178.9-65.3-59.9145.300111.4I173 L176I173-E179 HydrophobicContact CG2-CG 4.21Å; L176-E179 HydrophobicContact CD1-CB 4.32Å; L176-E179 HydrophobicContact CD1-CG 4.12Å; L176-E179 PolarHBondContact O-N 2.85Å
180D88.3Confident87.9Confident74 Ų74100.5 Ų100.540%0.39654%0.535SS..  trans-104.49.7-171.773-24.3000114.1N178 F182 C183 I185N178-D180 VanDerWaalsContact C-N 3.26Å; N178-D180 PolarHBondContact O-N 2.76Å; D180-F182 PolarHBondContact O-N 3Å; D180-F182 VanDerWaalsContact O-N 3.16Å; D180-C183 CarbonylContact C-O 3.56Å; D180-C183 VanDerWaalsContact CA-O 3.26Å; D180-C183 WeakPolarHBondContact CA-O 3.35Å; D180-C183 WeakPolarHBondContact CB-O 3.5Å; D180-C183 PolarHBondContact O-N 2.94Å; D180-I185 HydrophobicContact CB-CB 4Å; D180-I185 HydrophobicContact CB-CD1 3.91Å
181I85.9Confident88.2Confident129 Ų129101.2 Ų101.266%0.66253%0.528SS*.SBendtrans-60.5-33-177.7-48.4169.4000111.4
182F85.1Confident88.4Confident203 Ų20397.5 Ų97.589%0.8950%0.502SS*.SBendtrans-1184.1-178.6-56.6-73.6000113.7D180D180-F182 PolarHBondContact O-N 3Å; D180-F182 VanDerWaalsContact O-N 3.16Å
183C84.6Confident88.5Confident59 Ų5997.6 Ų97.640%0.39950%0.496SS..SBendtrans-146145.2-177.6-165.70000110.2D180 I185 V188D180-C183 CarbonylContact C-O 3.56Å; D180-C183 VanDerWaalsContact CA-O 3.26Å; D180-C183 WeakPolarHBondContact CA-O 3.35Å; D180-C183 WeakPolarHBondContact CB-O 3.5Å; D180-C183 PolarHBondContact O-N 2.94Å; C183-I185 PolarHBondContact O-N 3.09Å; C183-V188 HydrophobicContact CB-CG2 3.8Å
184S89.6Confident88.7Confident61 Ų61101.3 Ų101.343%0.42750%0.504SS..  trans-59.3129.2173.5172.40000110.5H186 L187 V188S184-H186 PolarHBondContact O-N 2.69Å; S184-H186 VanDerWaalsContact O-N 3.09Å; S184-H186 PolarHBondContact OG-N 3.3Å; S184-L187 WeakPolarHBondContact O-CA 3.26Å; S184-L187 WeakPolarHBondContact O-CB 3.43Å; S184-L187 PolarHBondContact O-N 3.29Å; S184-V188 PolarHBondContact O-N 3.15Å
185I92.3Very high88.5Confident48 Ų48100.2 Ų100.225%0.24650%0.497CS..Hα-helixtrans-50.1-36.8175.5-170.364.2000112.6D177 D180 C183 L187 V188 Q189D177-I185 WeakPolarHBondContact O-CD1 3.44Å; D180-I185 HydrophobicContact CB-CB 4Å; D180-I185 HydrophobicContact CB-CD1 3.91Å; C183-I185 PolarHBondContact O-N 3.09Å; I185-L187 PolarHBondContact O-N 3.27Å; I185-V188 PolarHBondContact O-N 3.05Å; I185-Q189 WeakPolarHBondContact O-CG 2.84Å; I185-Q189 PolarHBondContact O-N 3.38Å
186H90.1Very high88.1Confident139 Ų139100.5 Ų100.564%0.64451%0.506SS*.Hα-helixtrans-64.6-40.1177.9-70.5-60.4000112.4S184 E190S184-H186 PolarHBondContact O-N 2.69Å; S184-H186 VanDerWaalsContact O-N 3.09Å; S184-H186 PolarHBondContact OG-N 3.3Å; H186-E190 VanDerWaalsContact O-CB 3.29Å; H186-E190 WeakPolarHBondContact O-CB 2.86Å; H186-E190 PolarHBondContact O-N 3.38Å
187L91.2Very high86.2Confident90 Ų90109.1 Ų109.147%0.47153%0.532SS..Hα-helixtrans-71.2-40.4178-89.1159.1000111.3S184 I185 E190 V191S184-L187 WeakPolarHBondContact O-CA 3.26Å; S184-L187 WeakPolarHBondContact O-CB 3.43Å; S184-L187 PolarHBondContact O-N 3.29Å; I185-L187 PolarHBondContact O-N 3.27Å; L187-E190 PolarHBondContact O-N 3.32Å; L187-V191 WeakPolarHBondContact O-CB 3.36Å; L187-V191 VanDerWaalsContact O-CG2 3.31Å; L187-V191 WeakPolarHBondContact O-CG2 3.46Å; L187-V191 PolarHBondContact O-N 3.1Å
188V88.9Confident86.2Confident17 Ų17110.8 Ų110.810%0.10354%0.538CS..Hα-helixtrans-57.3-52.2175.6175.30000109.9C183 S184 I185 E190 V191 L192C183-V188 HydrophobicContact CB-CG2 3.8Å; S184-V188 PolarHBondContact O-N 3.15Å; I185-V188 PolarHBondContact O-N 3.05Å; V188-E190 PolarHBondContact O-N 3.46Å; V188-V191 PolarHBondContact O-N 3.36Å; V188-L192 HydrophobicContact CG1-CD1 3.74Å; V188-L192 HydrophobicContact CG1-CG 4.45Å; V188-L192 WeakPolarHBondContact O-CB 3.43Å; V188-L192 VanDerWaalsContact O-CG 3.28Å; V188-L192 WeakPolarHBondContact O-CG 3.33Å; V188-L192 PolarHBondContact O-N 3.37Å
189Q89.9Confident86.2Confident83 Ų83111.2 Ų111.239%0.38854%0.537SS..Hα-helixtrans-63.7-40.6179-71180-11.300112.7I185 L192 N193I185-Q189 WeakPolarHBondContact O-CG 2.84Å; I185-Q189 PolarHBondContact O-N 3.38Å; Q189-L192 PolarHBondContact O-N 3.28Å; Q189-N193 VanDerWaalsContact O-CB 3.26Å; Q189-N193 WeakPolarHBondContact O-CB 3.42Å; Q189-N193 PolarHBondContact O-N 2.76Å; Q189-N193 PolarHBondContact O-ND2 2.65Å
190E89.9Confident86Confident133 Ų133113.1 Ų113.162%0.62155%0.547SS*.Hα-helixtrans-60.7-47.1177.6-175.8175.6-175.900111.5H186 L187 V188 N193 Y194H186-E190 VanDerWaalsContact O-CB 3.29Å; H186-E190 WeakPolarHBondContact O-CB 2.86Å; H186-E190 PolarHBondContact O-N 3.38Å; L187-E190 PolarHBondContact O-N 3.32Å; V188-E190 PolarHBondContact O-N 3.46Å; E190-N193 PolarHBondContact O-N 2.87Å; E190-Y194 WeakPolarHBondContact O-CB 3.21Å; E190-Y194 PolarHBondContact O-N 2.82Å
191V90Very high85.9Confident74 Ų74115.4 Ų115.445%0.44856%0.556SS.*Hα-helixtrans-66.9-41.4179.7172.70000111.5L187 V188 Y194 K195L187-V191 WeakPolarHBondContact O-CB 3.36Å; L187-V191 VanDerWaalsContact O-CG2 3.31Å; L187-V191 WeakPolarHBondContact O-CG2 3.46Å; L187-V191 PolarHBondContact O-N 3.1Å; V188-V191 PolarHBondContact O-N 3.36Å; V191-Y194 PolarHBondContact O-N 3.5Å; V191-K195 PolarHBondContact O-N 2.94Å; V191-K195 VanDerWaalsContact O-N 3.1Å
192L90.2Very high85.9Confident38 Ų38114.5 Ų114.520%0.19955%0.549CS..Hα-helixtrans-64.7-45.5177.6-72.1174.5000111.3L176 D177 V188 Q189 Y194 K195 V196L176-L192 HydrophobicContact CB-CD1 4.17Å; L176-L192 HydrophobicContact CD2-CD1 4.5Å; L176-L192 HydrophobicContact CD2-CD2 4.05Å; D177-L192 WeakPolarHBondContact OD1-CD1 3.31Å; V188-L192 HydrophobicContact CG1-CD1 3.74Å; V188-L192 HydrophobicContact CG1-CG 4.45Å; V188-L192 WeakPolarHBondContact O-CB 3.43Å; V188-L192 VanDerWaalsContact O-CG 3.28Å; V188-L192 WeakPolarHBondContact O-CG 3.33Å; V188-L192 PolarHBondContact O-N 3.37Å; Q189-L192 PolarHBondContact O-N 3.28Å; L192-Y194 VanDerWaalsContact C-N 3.26Å; L192-Y194 PolarHBondContact O-N 3.25Å; L192-K195 PolarHBondContact O-N 3.03Å; L192-K195 VanDerWaalsContact O-N 3.14Å; L192-V196 WeakPolarHBondContact O-CG2 3.41Å; L192-V196 PolarHBondContact O-N 3.49Å; L192-V196 VanDerWaalsContact O-N 3.13Å
193N89.5Confident85.9Confident117 Ų117108.6 Ų108.663%0.62653%0.527SS*.Hα-helixtrans-61.1-35.2175.4-76.5-42.6000112.8Q189 E190Q189-N193 VanDerWaalsContact O-CB 3.26Å; Q189-N193 WeakPolarHBondContact O-CB 3.42Å; Q189-N193 PolarHBondContact O-N 2.76Å; Q189-N193 PolarHBondContact O-ND2 2.65Å; E190-N193 PolarHBondContact O-N 2.87Å
194Y89.5Confident86Confident192 Ų192112.1 Ų112.175%0.75354%0.536SS*.Hα-helixtrans-67.9-38.5176.4-168.5-91.2000112.2E190 V191 L192E190-Y194 WeakPolarHBondContact O-CB 3.21Å; E190-Y194 PolarHBondContact O-N 2.82Å; V191-Y194 PolarHBondContact O-N 3.5Å; L192-Y194 VanDerWaalsContact C-N 3.26Å; L192-Y194 PolarHBondContact O-N 3.25Å
195K84.5Confident85.7Confident162 Ų162116.1 Ų116.170%0.70454%0.544SS*.Hα-helixtrans-78-22.4-178.2-78.5-174.8176.8179.60115V191 L192 R197V191-K195 PolarHBondContact O-N 2.94Å; V191-K195 VanDerWaalsContact O-N 3.1Å; L192-K195 PolarHBondContact O-N 3.03Å; L192-K195 VanDerWaalsContact O-N 3.14Å; K195-R197 VanDerWaalsContact C-N 3.26Å
196V78Confident85.2Confident131 Ų131121.8 Ų121.879%0.79457%0.569SS**THydrogen-bonded Turntrans-78.6-10.9179.1174.40000112.1L192L192-V196 WeakPolarHBondContact O-CG2 3.41Å; L192-V196 PolarHBondContact O-N 3.49Å; L192-V196 VanDerWaalsContact O-N 3.13Å
197R50.6Low84.8Confident285 Ų285120.2 Ų120.2100%1.07556%0.562SS**  trans-90.70170-85.9-174.5175.6173.51.3112.5K195K195-R197 VanDerWaalsContact C-N 3.26Å

Retrieved 197 of 197 residues in 60.7 ms (Link to these results)