A0A087XHW6_POEFO Loading...

Interleukin 17d

AlphaFold DB , UniProt , Accession A0A087XHW6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 210 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
1M58.8Low68.5Low209 Ų209125.6 Ų125.6100%1.0362%0.622SS**  0-34.70-60.2-172.2-163.900113.8C3M1-C3 PolarHBondContact O-N 3.07Å
2R58.8Low68.7Low223 Ų223124.3 Ų124.384%0.84262%0.618SS**Hα-helixtrans-60.9-35.1178.4-72.5177.6172.7177.7-3.6115.4I5 C6R2-I5 PolarHBondContact O-N 2.97Å; R2-C6 PolarHBondContact O-N 3.2Å; R2-C6 VanDerWaalsContact O-N 3.14Å; R2-C6 PolarHBondContact O-SG 3.15Å; R2-C6 VanDerWaalsContact O-SG 3.36Å
3C60.9Low68.6Low99 Ų99121.7 Ų121.767%0.66961%0.606SS**Hα-helixtrans-69.5-37-177.9-160.90000113.4M1 I5 C6 V7M1-C3 PolarHBondContact O-N 3.07Å; C3-I5 VanDerWaalsContact C-N 3.33Å; C3-I5 PolarHBondContact O-N 2.63Å; C3-C6 PolarHBondContact O-N 3.35Å; C3-V7 WeakPolarHBondContact O-CG2 3.25Å; C3-V7 PolarHBondContact O-N 2.92Å; C3-V7 VanDerWaalsContact O-N 3.13Å
4R64.5Low68.3Low212 Ų212120.9 Ų120.980%0.861%0.605SS**Hα-helixtrans-69-33.1177.3-70-169.9171-174.2-2.9112.4L8R4-L8 WeakPolarHBondContact O-CG 3.19Å; R4-L8 PolarHBondContact O-N 2.93Å; R4-L8 VanDerWaalsContact O-N 3.13Å
5I70.9Confident67.8Low96 Ų96121.9 Ų121.949%0.49261%0.611SS.*Hα-helixtrans-70.7-41.5176.7-64.2166.8000110.2R2 C3 V7 L8 I9R2-I5 PolarHBondContact O-N 2.97Å; C3-I5 VanDerWaalsContact C-N 3.33Å; C3-I5 PolarHBondContact O-N 2.63Å; I5-V7 VanDerWaalsContact C-N 3.35Å; I5-V7 PolarHBondContact O-N 3.27Å; I5-L8 PolarHBondContact O-N 2.86Å; I5-I9 HydrophobicContact CG2-CD1 3.66Å; I5-I9 HydrophobicContact CG2-CG1 4.37Å; I5-I9 WeakPolarHBondContact O-CB 3.39Å; I5-I9 VanDerWaalsContact O-CG1 3.24Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.13Å
6C70.1Confident67.4Low71 Ų71121.6 Ų121.648%0.4862%0.618SS.*Hα-helixtrans-62.6-39.5175-67.20000112.8R2 C3 I9 L10R2-C6 PolarHBondContact O-N 3.2Å; R2-C6 VanDerWaalsContact O-N 3.14Å; R2-C6 PolarHBondContact O-SG 3.15Å; R2-C6 VanDerWaalsContact O-SG 3.36Å; C3-C6 PolarHBondContact O-N 3.35Å; C6-I9 PolarHBondContact O-N 3.05Å; C6-L10 WeakPolarHBondContact O-CB 3.44Å; C6-L10 PolarHBondContact O-N 3.15Å
7V76.7Confident66.7Low77 Ų77122.1 Ų122.147%0.46762%0.621SS.*Hα-helixtrans-67.1-39.8177.9173.90000111.5C3 I5 L10 L11C3-V7 WeakPolarHBondContact O-CG2 3.25Å; C3-V7 PolarHBondContact O-N 2.92Å; C3-V7 VanDerWaalsContact O-N 3.13Å; I5-V7 VanDerWaalsContact C-N 3.35Å; I5-V7 PolarHBondContact O-N 3.27Å; V7-L10 PolarHBondContact O-N 3.37Å; V7-L11 HydrophobicContact CG1-CD1 3.98Å; V7-L11 WeakPolarHBondContact O-CB 3.36Å; V7-L11 WeakPolarHBondContact O-CG 3.06Å; V7-L11 PolarHBondContact O-N 2.84Å
8L73.9Confident66.2Low107 Ų107121.2 Ų121.256%0.5662%0.623SS**Hα-helixtrans-67.2-39.5175.4-72.3168.7000112.1R4 I5 L11 L12R4-L8 WeakPolarHBondContact O-CG 3.19Å; R4-L8 PolarHBondContact O-N 2.93Å; R4-L8 VanDerWaalsContact O-N 3.13Å; I5-L8 PolarHBondContact O-N 2.86Å; L8-L11 PolarHBondContact O-N 3.43Å; L8-L12 WeakPolarHBondContact O-CB 3.31Å; L8-L12 PolarHBondContact O-N 2.84Å
9I74.4Confident65.5Low91 Ų91118.8 Ų118.847%0.46762%0.616SS.*Hα-helixtrans-66.9-39.3175.9-69.2168.5000110.9I5 C6 L12 L13I5-I9 HydrophobicContact CG2-CD1 3.66Å; I5-I9 HydrophobicContact CG2-CG1 4.37Å; I5-I9 WeakPolarHBondContact O-CB 3.39Å; I5-I9 VanDerWaalsContact O-CG1 3.24Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.13Å; C6-I9 PolarHBondContact O-N 3.05Å; I9-L12 PolarHBondContact O-N 3.47Å; I9-L13 HydrophobicContact CG2-CD1 3.74Å; I9-L13 VanDerWaalsContact O-CB 3.31Å; I9-L13 WeakPolarHBondContact O-CB 3.38Å; I9-L13 WeakPolarHBondContact O-CD1 2.97Å; I9-L13 WeakPolarHBondContact O-CG 3.27Å; I9-L13 PolarHBondContact O-N 2.86Å
10L72.2Confident65Low103 Ų103118 Ų11854%0.53963%0.627SS.*Hα-helixtrans-66-40.9174.5-90.7153.3000112.4C6 V7 L13 L14C6-L10 WeakPolarHBondContact O-CB 3.44Å; C6-L10 PolarHBondContact O-N 3.15Å; V7-L10 PolarHBondContact O-N 3.37Å; L10-L13 PolarHBondContact O-N 2.71Å; L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 WeakPolarHBondContact O-CD1 3.11Å; L10-L14 WeakPolarHBondContact O-CG 3.1Å; L10-L14 PolarHBondContact O-N 3.49Å
11L72Confident64.3Low94 Ų94122.9 Ų122.949%0.49264%0.637SS.*Hα-helixtrans-65.9-40.5174.7-82160.2000112V7 L8 L14 L15V7-L11 HydrophobicContact CG1-CD1 3.98Å; V7-L11 WeakPolarHBondContact O-CB 3.36Å; V7-L11 WeakPolarHBondContact O-CG 3.06Å; V7-L11 PolarHBondContact O-N 2.84Å; L8-L11 PolarHBondContact O-N 3.43Å; L11-L14 PolarHBondContact O-N 2.04Å; L11-L15 WeakPolarHBondContact O-CB 3.16Å; L11-L15 WeakPolarHBondContact O-CD1 3.21Å; L11-L15 PolarHBondContact O-N 2.85Å
12L70.8Confident63.8Low110 Ų110121.5 Ų121.558%0.57663%0.633SS**Hα-helixtrans-65.7-42.1173.4-91151.6000111.9L8 I9 L15 V16L8-L12 WeakPolarHBondContact O-CB 3.31Å; L8-L12 PolarHBondContact O-N 2.84Å; I9-L12 PolarHBondContact O-N 3.47Å; L12-L15 PolarHBondContact O-N 3.48Å; L12-V16 WeakPolarHBondContact O-CB 3.09Å; L12-V16 WeakPolarHBondContact O-CG2 3.12Å; L12-V16 PolarHBondContact O-N 2.86Å
13L67.5Low63.5Low90 Ų90115 Ų11547%0.47163%0.626SS.*Hα-helixtrans-64.1-39.5174.2-84.4158.3000111.7I9 L10 V16 L17I9-L13 HydrophobicContact CG2-CD1 3.74Å; I9-L13 VanDerWaalsContact O-CB 3.31Å; I9-L13 WeakPolarHBondContact O-CB 3.38Å; I9-L13 WeakPolarHBondContact O-CD1 2.97Å; I9-L13 WeakPolarHBondContact O-CG 3.27Å; I9-L13 PolarHBondContact O-N 2.86Å; L10-L13 PolarHBondContact O-N 2.71Å; L13-V16 PolarHBondContact O-N 2.93Å; L13-L17 VanDerWaalsContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 WeakPolarHBondContact O-CG 3.18Å; L13-L17 PolarHBondContact O-N 3.21Å
14L64Low62.8Low111 Ų111119.5 Ų119.558%0.58164%0.638SS**Hα-helixtrans-64.3-39.5173.7-84.7156.5000111.8L10 L11 V18L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 WeakPolarHBondContact O-CD1 3.11Å; L10-L14 WeakPolarHBondContact O-CG 3.1Å; L10-L14 PolarHBondContact O-N 3.49Å; L11-L14 PolarHBondContact O-N 2.04Å; L14-V18 WeakPolarHBondContact O-CG2 3.35Å; L14-V18 PolarHBondContact O-N 3.25Å
15L61.5Low62.1Low135 Ų135115 Ų11571%0.70763%0.634SS**Hα-helixtrans-68.4-30.5174.5-87.6152.2000113.3L11 L12L11-L15 WeakPolarHBondContact O-CB 3.16Å; L11-L15 WeakPolarHBondContact O-CD1 3.21Å; L11-L15 PolarHBondContact O-N 2.85Å; L12-L15 PolarHBondContact O-N 3.48Å
16V60.7Low61.1Low117 Ų117114.3 Ų114.371%0.70964%0.643SS**Hα-helixtrans-83.9-25.8177.9174.20000112.2L12 L13L12-V16 WeakPolarHBondContact O-CB 3.09Å; L12-V16 WeakPolarHBondContact O-CG2 3.12Å; L12-V16 PolarHBondContact O-N 2.86Å; L13-V16 PolarHBondContact O-N 2.93Å
17L56.7Low60.3Low130 Ų130122 Ų12268%0.68166%0.662SS**Hα-helixtrans-89.3-5.9-179.6-79.7162.3000114.6L13 P19L13-L17 VanDerWaalsContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 WeakPolarHBondContact O-CG 3.18Å; L13-L17 PolarHBondContact O-N 3.21Å; L17-P19 WeakPolarHBondContact O-CD 3.47Å
18V57.8Low58.9Low107 Ų107124 Ų12465%0.64867%0.674SS**SBendtrans-72.5108.8166.7-177.30000107.2L14 A20L14-V18 WeakPolarHBondContact O-CG2 3.35Å; L14-V18 PolarHBondContact O-N 3.25Å; V18-A20 PolarHBondContact O-N 3.13Å
19P53.2Low57.9Low76 Ų76129.6 Ų129.649%0.49469%0.688SS.*  trans-63.2128.5175.2-10.227.2000106.9L17 W21L17-P19 WeakPolarHBondContact O-CD 3.47Å; P19-W21 HydrophobicContact CB-CD2 3.91Å; P19-W21 HydrophobicContact CB-CE3 4.38Å; P19-W21 HydrophobicContact CB-CG 3.94Å; P19-W21 PolarHBondContact O-N 2.6Å
20A54.9Low56.8Low101 Ų101134.1 Ų134.184%0.83570%0.704SS**  trans-63.974.4163.900000108.9V18V18-A20 PolarHBondContact O-N 3.13Å
21W49.8Very low55.7Low221 Ų221137.8 Ų137.884%0.83772%0.715SS**  trans-113.364.1174.1-76.3-7.6000109.1P19P19-W21 HydrophobicContact CB-CD2 3.91Å; P19-W21 HydrophobicContact CB-CE3 4.38Å; P19-W21 HydrophobicContact CB-CG 3.94Å; P19-W21 PolarHBondContact O-N 2.6Å
22L49.6Very low54.9Low181 Ų181139.3 Ų139.395%0.94873%0.729SS**  trans-144.360.5160.9-94.8169.2000108.7
23A50.5Low54.3Low85 Ų85139.9 Ų139.970%0.70274%0.737SS**  trans-155.140.8159.700000111.4T25A23-T25 PolarHBondContact O-N 3.09Å
24E46.5Very low54Low194 Ų194146.7 Ų146.791%0.90776%0.756SS**  trans-71.885.8145.9-103.7177152.700106.1A26E24-A26 PolarHBondContact O-N 3.23Å
25T50.6Low54.2Low117 Ų117147.3 Ų147.372%0.71877%0.765SS**  trans-56.298.2149.149.20000104.3A23 R27A23-T25 PolarHBondContact O-N 3.09Å; T25-R27 PolarHBondContact O-N 3.17Å
26A49.4Very low55.1Low83 Ų83151.8 Ų151.869%0.68677%0.772SS**  trans-54.195.8160.700000104E24 V28E24-A26 PolarHBondContact O-N 3.23Å; A26-V28 PolarHBondContact O-N 3.29Å
27R53.8Low56.3Low233 Ų233151.2 Ų151.288%0.87977%0.772SS**  trans-6188.7156.5-79.4-165.1-89.3-162.2-5.7102.3T25 R29T25-R27 PolarHBondContact O-N 3.17Å; R27-R29 PolarHBondContact O-N 2.92Å
28V47.4Very low58Low118 Ų118146.9 Ų146.972%0.71575%0.752SS**  trans-55.189.9154.11750000101.9A26 K30A26-V28 PolarHBondContact O-N 3.29Å; V28-K30 PolarHBondContact O-N 3.05Å
29R51.8Low59.7Low225 Ų225146.3 Ų146.385%0.84974%0.744SS**  trans-54.5100.6158.5-176.9170.4-172.3166.82.3100.6R27 K31R27-R29 PolarHBondContact O-N 2.92Å; R29-K31 PolarHBondContact O-N 3.02Å
30K51.4Low61.6Low186 Ų186144 Ų14481%0.80973%0.728SS**  trans-57.585.1163.9-78.5-178.4177.9177.40102.9V28 T32V28-K30 PolarHBondContact O-N 3.05Å; K30-T32 PolarHBondContact O-N 2.84Å
31K49.3Very low63.5Low179 Ų179141 Ų14178%0.77870%0.698SS**  trans-62.995.2159.5-163.9171.7-171.5177.3099R29 T33R29-K31 PolarHBondContact O-N 3.02Å; K31-T33 PolarHBondContact O-N 3.22Å; K31-T33 PolarHBondContact O-OG1 3.03Å
32T55.7Low65.6Low126 Ų126132.8 Ų132.877%0.77367%0.673SS**  trans-46.3102.2166.510.70000103K30 R34K30-T32 PolarHBondContact O-N 2.84Å; T32-R34 PolarHBondContact O-N 2.89Å
33T57.6Low67.5Low123 Ų123128 Ų12876%0.75565%0.646SS**  trans-63.896.9176.9-29.80000101.3K31 T35K31-T33 PolarHBondContact O-N 3.22Å; K31-T33 PolarHBondContact O-OG1 3.03Å; T33-T35 PolarHBondContact O-N 3Å
34R61.6Low69.4Low232 Ų232130.3 Ų130.388%0.87564%0.642SS**  trans-67.384.1175.5-169.6179-176.6172.31.2103.1T32 R36T32-R34 PolarHBondContact O-N 2.89Å; R34-R36 PolarHBondContact O-N 3.16Å
35T68.8Low71.6Confident124 Ų124124.6 Ų124.676%0.76162%0.617SS**  trans-54.2108.8173.817.20000104T33T33-T35 PolarHBondContact O-N 3Å
36R80Confident73.6Confident229 Ų229119.1 Ų119.186%0.86458%0.583SS**PPolyproline II helixtrans-58.4129.8179.6-75.3-176.4178.4-174.8-0.8106.3R34 C38R34-R36 PolarHBondContact O-N 3.16Å; R36-C38 PolarHBondContact O-N 3.22Å
37P86.3Confident75.6Confident106 Ų106120.1 Ų120.169%0.68857%0.574SS**PPolyproline II helixtrans-61.2140.9175.827-33.2000108.2L39P37-L39 PolarHBondContact O-N 2.75Å
38C91.8Very high77.3Confident39 Ų39115.1 Ų115.126%0.26456%0.56SS.*PPolyproline II helixtrans-65.2136.2173.8-63.50000109R36 C156 H161R36-C38 PolarHBondContact O-N 3.22Å; C38-C156 HydrophobicContact CB-CB 3.96Å; C38-C156 WeakPolarHBondContact CB-SG 3.27Å; C38-C156 WeakPolarHBondContact SG-CB 3.32Å; C38-C156 CovalentContact SG-SG 2.02Å; C38-C156 PolarHBondContact SG-SG 3.29Å; C38-H161 VanDerWaalsContact CB-CE1 3.43Å; C38-H161 WeakPolarHBondContact CB-CE1 3.27Å; C38-H161 WeakPolarHBondContact CB-NE2 3.24Å; C38-H161 PolarHBondContact O-CD2 2.79Å; C38-H161 PolarHBondContact O-NE2 3.29Å
39L93.4Very high79.4Confident94 Ų94113 Ų11349%0.49254%0.543SS..BIsolated β-bridgetrans-93.4153.6-179.7-60.3177.3000109.5P37 G159 R160 H161P37-L39 PolarHBondContact O-N 2.75Å; L39-G159 PolarHBondContact N-O 3.31Å; L39-R160 CarbonylContact O-C 3.51Å; L39-R160 WeakPolarHBondContact O-CA 3.43Å; L39-H161 PolarHBondContact O-N 2.02Å
40D93.3Very high81.2Confident27 Ų27103.1 Ų103.114%0.14451%0.506CS..PPolyproline II helixtrans-65.5159.3170.5-71.5-41.3000111R114 R152 R160 H161 Y163D40-R114 IonicContact OD2-CZ 3.44Å; D40-R114 VanDerWaalsContact OD2-CZ 3.31Å; D40-R114 IonicContact OD2-NH1 3.78Å; D40-R114 PolarHBondContact OD2-NH1 2.86Å; D40-R114 IonicContact OD2-NH2 3.46Å; D40-R114 PolarHBondContact OD2-NH2 2.72Å; D40-R152 IonicContact OD1-CZ 3.23Å; D40-R152 IonicContact OD1-NE 3.05Å; D40-R152 PolarHBondContact OD1-NE 2.9Å; D40-R152 IonicContact OD1-NH2 2.7Å; D40-R152 PolarHBondContact OD1-NH2 3Å; D40-R152 IonicContact OD2-NH2 3.31Å; D40-R152 PolarHBondContact OD2-NH2 3.15Å; D40-R160 WeakPolarHBondContact O-CD 3.4Å; D40-R160 PolarHBondContact O-NH1 2.8Å; D40-H161 IonicContact OD1-CD2 3.12Å; D40-Y163 WeakPolarHBondContact CB-OH 3.47Å; D40-Y163 VanDerWaalsContact CG-OH 3.28Å; D40-Y163 PolarHBondContact OD1-OH 2.83Å
41L93.9Very high82.9Confident39 Ų3995.8 Ų95.820%0.20448%0.484CS..PPolyproline II helixtrans-59.9153.1167.2-100.770.6000109.7E43 I45 L46 M49 R160 H161 Y163L41-E43 PolarHBondContact O-N 3Å; L41-I45 HydrophobicContact CD2-CB 4.33Å; L41-I45 HydrophobicContact CD2-CG2 3.75Å; L41-L46 HydrophobicContact CB-CD1 4.32Å; L41-L46 HydrophobicContact CB-CD2 4.01Å; L41-L46 HydrophobicContact CB-CG 3.89Å; L41-M49 HydrophobicContact CD2-SD 4.32Å; L41-R160 HydrophobicContact CD1-CB 4.03Å; L41-H161 WeakPolarHBondContact CD1-O 3.24Å; L41-Y163 HydrophobicContact CB-CE2 4.26Å; L41-Y163 HydrophobicContact CD1-CD2 4.1Å; L41-Y163 HydrophobicContact CD1-CE2 3.97Å
42P93.9Very high84.7Confident49 Ų4996.6 Ų96.632%0.31848%0.482SS..PPolyproline II helixtrans-48.8138.2166.3-23.632.7000110.7E44 I45 L46P42-E44 WeakPolarHBondContact CB-OE2 3.37Å; P42-E44 PolarHBondContact O-N 2.85Å; P42-I45 HydrophobicContact CB-CD1 4.27Å; P42-I45 HydrophobicContact CB-CG1 4.23Å; P42-I45 HydrophobicContact CG-CD1 3.94Å; P42-I45 HydrophobicContact CG-CG1 4.45Å; P42-I45 PolarHBondContact O-N 3.43Å; P42-I45 VanDerWaalsContact O-N 3.09Å; P42-L46 PolarHBondContact O-N 3.28Å
43E90.5Very high86Confident81 Ų8193.1 Ų93.138%0.37946%0.459SS..Hα-helixtrans-57.6-41.7-172.9-163.677.8174.600109.9L41 I45 L46 E47 Y112L41-E43 PolarHBondContact O-N 3Å; E43-I45 PolarHBondContact O-N 2.86Å; E43-L46 CarbonylContact O-C 3.6Å; E43-L46 WeakPolarHBondContact O-CA 3.28Å; E43-L46 WeakPolarHBondContact O-CB 3.06Å; E43-L46 PolarHBondContact O-N 2.81Å; E43-E47 HydrophobicContact CG-CG 4.24Å; E43-E47 WeakPolarHBondContact O-CG 3.24Å; E43-E47 PolarHBondContact O-N 3.41Å; E43-Y112 HydrophobicContact CG-CE2 4.24Å; E43-Y112 VanDerWaalsContact OE1-CE2 3.22Å; E43-Y112 WeakPolarHBondContact OE1-CE2 3.41Å
44E91.3Very high86.7Confident132 Ų13287.7 Ų87.762%0.61743%0.425SS*.Hα-helixtrans-56.2-37.6-179.3-56.777.4-168.500112.4P42 Q48P42-E44 WeakPolarHBondContact CB-OE2 3.37Å; P42-E44 PolarHBondContact O-N 2.85Å; E44-Q48 WeakPolarHBondContact O-CB 3.31Å; E44-Q48 PolarHBondContact O-N 2.97Å
45I92.4Very high86.7Confident75 Ų7582.6 Ų82.639%0.38542%0.42SS..Hα-helixtrans-73-39.8178.3-56.8-178.5000110.1L41 P42 E43 Q48 M49L41-I45 HydrophobicContact CD2-CB 4.33Å; L41-I45 HydrophobicContact CD2-CG2 3.75Å; P42-I45 HydrophobicContact CB-CD1 4.27Å; P42-I45 HydrophobicContact CB-CG1 4.23Å; P42-I45 HydrophobicContact CG-CD1 3.94Å; P42-I45 HydrophobicContact CG-CG1 4.45Å; P42-I45 PolarHBondContact O-N 3.43Å; P42-I45 VanDerWaalsContact O-N 3.09Å; E43-I45 PolarHBondContact O-N 2.86Å; I45-Q48 PolarHBondContact O-N 3.42Å; I45-M49 HydrophobicContact CG2-CG 4.47Å; I45-M49 HydrophobicContact CG2-SD 4.3Å; I45-M49 WeakPolarHBondContact O-CB 2.93Å; I45-M49 VanDerWaalsContact O-CG 3.3Å; I45-M49 WeakPolarHBondContact O-CG 2.97Å; I45-M49 PolarHBondContact O-N 2.91Å
46L92.4Very high86.1Confident1 Ų180.5 Ų80.51%0.00542%0.423CS..Hα-helixtrans-64.8-42.2175.5-66.5172.5000111.2L41 P42 E43 Q48 M49 F50 Y112 L150 Y163L41-L46 HydrophobicContact CB-CD1 4.32Å; L41-L46 HydrophobicContact CB-CD2 4.01Å; L41-L46 HydrophobicContact CB-CG 3.89Å; P42-L46 PolarHBondContact O-N 3.28Å; E43-L46 CarbonylContact O-C 3.6Å; E43-L46 WeakPolarHBondContact O-CA 3.28Å; E43-L46 WeakPolarHBondContact O-CB 3.06Å; E43-L46 PolarHBondContact O-N 2.81Å; L46-Q48 VanDerWaalsContact C-N 3.32Å; L46-Q48 PolarHBondContact O-N 2.94Å; L46-M49 PolarHBondContact O-N 2.94Å; L46-F50 WeakPolarHBondContact O-CB 3.44Å; L46-F50 PolarHBondContact O-N 3.44Å; L46-Y112 HydrophobicContact CB-CD1 4.07Å; L46-Y112 HydrophobicContact CB-CD2 3.55Å; L46-Y112 HydrophobicContact CB-CE1 4.29Å; L46-Y112 HydrophobicContact CB-CE2 3.75Å; L46-Y112 HydrophobicContact CB-CG 3.73Å; L46-Y112 HydrophobicContact CD1-CD2 3.79Å; L46-Y112 HydrophobicContact CD1-CG 4.24Å; L46-Y112 HydrophobicContact CG-CD2 4.26Å; L46-Y112 HydrophobicContact CG-CG 4.43Å; L46-L150 HydrophobicContact CD2-CD1 4.09Å; L46-Y163 HydrophobicContact CD2-CD1 4.08Å; L46-Y163 HydrophobicContact CD2-CD2 3.87Å; L46-Y163 HydrophobicContact CD2-CE1 4Å; L46-Y163 HydrophobicContact CD2-CE2 3.82Å; L46-Y163 HydrophobicContact CD2-CG 4Å
47E90.6Very high85Confident105 Ų10572.6 Ų72.649%0.49140%0.4SS..Hα-helixtrans-62.9-41.8176-35-150.3122.100110.7E43 F50 G51 Y112E43-E47 HydrophobicContact CG-CG 4.24Å; E43-E47 WeakPolarHBondContact O-CG 3.24Å; E43-E47 PolarHBondContact O-N 3.41Å; E47-F50 PolarHBondContact O-N 3.25Å; E47-G51 WeakPolarHBondContact O-CA 3.48Å; E47-G51 PolarHBondContact O-N 3.49Å; E47-Y112 WeakPolarHBondContact CA-OH 3.44Å; E47-Y112 WeakPolarHBondContact CB-OH 3.38Å; E47-Y112 HydrophobicContact CG-CE2 4.47Å; E47-Y112 WeakPolarHBondContact CG-OH 3.42Å; E47-Y112 PolarHBondContact OE1-OH 3.49Å
48Q90.6Very high83.4Confident127 Ų12769.3 Ų69.359%0.59338%0.376SS*.Hα-helixtrans-65.2-45.1177.3-173.9-178.6-7.700111.9E44 I45 L46 R52E44-Q48 WeakPolarHBondContact O-CB 3.31Å; E44-Q48 PolarHBondContact O-N 2.97Å; I45-Q48 PolarHBondContact O-N 3.42Å; L46-Q48 VanDerWaalsContact C-N 3.32Å; L46-Q48 PolarHBondContact O-N 2.94Å; Q48-R52 WeakPolarHBondContact O-CG 3.26Å; Q48-R52 PolarHBondContact O-N 2.83Å
49M91.3Very high81.5Confident73 Ų7372.3 Ų72.336%0.3640%0.397SS..Hα-helixtrans-59.9-49.9175.3-74.7177.171.600110.6L41 I45 L46 R52 L53 L150L41-M49 HydrophobicContact CD2-SD 4.32Å; I45-M49 HydrophobicContact CG2-CG 4.47Å; I45-M49 HydrophobicContact CG2-SD 4.3Å; I45-M49 WeakPolarHBondContact O-CB 2.93Å; I45-M49 VanDerWaalsContact O-CG 3.3Å; I45-M49 WeakPolarHBondContact O-CG 2.97Å; I45-M49 PolarHBondContact O-N 2.91Å; L46-M49 PolarHBondContact O-N 2.94Å; M49-R52 PolarHBondContact O-N 2.83Å; M49-L53 WeakPolarHBondContact O-CG 3.24Å; M49-L150 HydrophobicContact CB-CD1 3.61Å; M49-L150 HydrophobicContact CB-CD2 4.45Å; M49-L150 HydrophobicContact CE-CD1 4.49Å; M49-L150 HydrophobicContact CE-CD2 4.28Å
50F89.8Confident79.4Confident18 Ų1871.4 Ų71.48%0.07940%0.403CS..Hα-helixtrans-64.5-42.3-179.9177.3-104.5000112.5L46 E47 R52 L53 S54 M58 Y112 P113 V148 L150L46-F50 WeakPolarHBondContact O-CB 3.44Å; L46-F50 PolarHBondContact O-N 3.44Å; E47-F50 PolarHBondContact O-N 3.25Å; F50-R52 VanDerWaalsContact C-N 3.28Å; F50-R52 PolarHBondContact O-N 3.31Å; F50-L53 PolarHBondContact O-N 2.81Å; F50-S54 VanDerWaalsContact O-CB 3.26Å; F50-S54 WeakPolarHBondContact O-CB 3.39Å; F50-S54 PolarHBondContact O-N 2.89Å; F50-S54 PolarHBondContact O-OG 3.22Å; F50-M58 HydrophobicContact CE1-CG 3.58Å; F50-M58 HydrophobicContact CE1-SD 3.79Å; F50-M58 HydrophobicContact CZ-CE 4.04Å; F50-M58 HydrophobicContact CZ-CG 3.61Å; F50-M58 HydrophobicContact CZ-SD 3.56Å; F50-M58 VanDerWaalsContact CZ-SD 3.56Å; F50-Y112 HydrophobicContact CB-CD1 3.78Å; F50-Y112 HydrophobicContact CB-CE1 3.5Å; F50-Y112 AromaticContact CD1-CE1 4Å; F50-Y112 HydrophobicContact CD1-CE1 4Å; F50-Y112 HydrophobicContact CD2-CD1 4.38Å; F50-Y112 HydrophobicContact CD2-CE1 4.46Å; F50-Y112 HydrophobicContact CG-CD1 4.05Å; F50-Y112 AromaticContact CG-CE1 3.75Å; F50-Y112 HydrophobicContact CG-CE1 3.75Å; F50-P113 HydrophobicContact CE2-CG 4.39Å; F50-P113 HydrophobicContact CZ-CG 4.23Å; F50-V148 HydrophobicContact CD2-CG1 4.39Å; F50-V148 HydrophobicContact CE2-CG1 4.04Å; F50-V148 WeakPolarHBondContact CE2-O 3.48Å; F50-L150 HydrophobicContact CB-CD1 4.12Å
51G86.4Confident77.5Confident33 Ų3371 Ų7134%0.3440%0.4SS..Hα-helixtrans-59.3-37.9179.600000112.3E47 L53 S54 V55E47-G51 WeakPolarHBondContact O-CA 3.48Å; E47-G51 PolarHBondContact O-N 3.49Å; G51-L53 VanDerWaalsContact C-N 3.32Å; G51-L53 PolarHBondContact O-N 2.83Å; G51-S54 WeakPolarHBondContact CA-OG 3.42Å; G51-S54 PolarHBondContact O-N 3.43Å; G51-V55 WeakPolarHBondContact O-CG2 3.41Å; G51-V55 PolarHBondContact O-N 2.04Å
52R86.3Confident75.7Confident195 Ų19574.7 Ų74.774%0.73642%0.416SS*.Hα-helixtrans-66.1-32.6175.1-67.8175.590.1167.57.4113.2Q48 M49 F50Q48-R52 WeakPolarHBondContact O-CG 3.26Å; Q48-R52 PolarHBondContact O-N 2.83Å; M49-R52 PolarHBondContact O-N 2.83Å; F50-R52 VanDerWaalsContact C-N 3.28Å; F50-R52 PolarHBondContact O-N 3.31Å
53L83.3Confident74Confident54 Ų5478.5 Ų78.528%0.28343%0.43SS..Hα-helixtrans-85.8-25-178.8-58.8175.9000112.9M49 F50 G51 V148 L150 E165M49-L53 WeakPolarHBondContact O-CG 3.24Å; F50-L53 PolarHBondContact O-N 2.81Å; G51-L53 VanDerWaalsContact C-N 3.32Å; G51-L53 PolarHBondContact O-N 2.83Å; L53-V148 HydrophobicContact CB-CB 4.45Å; L53-V148 HydrophobicContact CB-CG1 3.86Å; L53-V148 HydrophobicContact CB-CG2 3.96Å; L53-V148 HydrophobicContact CD1-CG2 3.9Å; L53-L150 HydrophobicContact CD1-CD2 3.73Å; L53-E165 HydrophobicContact CD1-CB 3.7Å; L53-E165 WeakPolarHBondContact CD1-OE2 3.34Å; L53-E165 WeakPolarHBondContact CD2-OE2 3.19Å
54S72.7Confident72.3Confident8 Ų875.1 Ų75.16%0.05642%0.415CS..  trans-101.56.3-170.962.20000114.6F50 G51 G56 V57 M58F50-S54 VanDerWaalsContact O-CB 3.26Å; F50-S54 WeakPolarHBondContact O-CB 3.39Å; F50-S54 PolarHBondContact O-N 2.89Å; F50-S54 PolarHBondContact O-OG 3.22Å; G51-S54 WeakPolarHBondContact CA-OG 3.42Å; G51-S54 PolarHBondContact O-N 3.43Å; S54-G56 PolarHBondContact O-N 3.44Å; S54-V57 PolarHBondContact O-N 3.5Å; S54-M58 PolarHBondContact O-N 2.75Å
55V62.3Low70.6Confident126 Ų12673.3 Ų73.376%0.76441%0.409SS*.THydrogen-bonded Turntrans-54.8108.8174.1-172.20000108.9G51G51-V55 WeakPolarHBondContact O-CG2 3.41Å; G51-V55 PolarHBondContact O-N 2.04Å
56G56.3Low68.9Low79 Ų7975.9 Ų75.981%0.81442%0.42SS*.THydrogen-bonded Turntrans110.1-15.6-178.200000116S54S54-G56 PolarHBondContact O-N 3.44Å
57V56.6Low67.1Low64 Ų6479.9 Ų79.939%0.38844%0.44SS..THydrogen-bonded Turntrans-118.2-19.8-175-171.40000113S54 F61S54-V57 PolarHBondContact O-N 3.5Å; V57-F61 HydrophobicContact CG1-CE2 4.25Å; V57-F61 WeakPolarHBondContact O-CD2 3.47Å
58M52.7Low65Low36 Ų3682.7 Ų82.718%0.17745%0.454CS..THydrogen-bonded Turntrans-96.810.6-172.9-77.5-68125.300117.1F50 S54 F61 H62F50-M58 HydrophobicContact CE1-CG 3.58Å; F50-M58 HydrophobicContact CE1-SD 3.79Å; F50-M58 HydrophobicContact CZ-CE 4.04Å; F50-M58 HydrophobicContact CZ-CG 3.61Å; F50-M58 HydrophobicContact CZ-SD 3.56Å; F50-M58 VanDerWaalsContact CZ-SD 3.56Å; S54-M58 PolarHBondContact O-N 2.75Å; M58-F61 HydrophobicContact CE-CB 4.44Å; M58-F61 HydrophobicContact CE-CD2 3.13Å; M58-F61 HydrophobicContact CE-CE2 3.45Å; M58-F61 VanDerWaalsContact CE-CE2 3.45Å; M58-F61 HydrophobicContact CE-CG 3.96Å; M58-F61 HydrophobicContact CE-CZ 4.48Å; M58-F61 HydrophobicContact SD-CB 4.19Å; M58-F61 HydrophobicContact SD-CD2 3.87Å; M58-F61 HydrophobicContact SD-CG 4.35Å; M58-H62 PolarHBondContact O-ND1 3.11Å
59S50.9Low62.9Low102 Ų10281.5 Ų81.571%0.71346%0.457SS*.Hα-helixtrans-78.6-29166-168.10000111.8F61S59-F61 PolarHBondContact O-N 2.83Å
60A49.8Very low61.1Low75 Ų7585.7 Ų85.762%0.6247%0.469SS*.Hα-helixtrans-74-27.5-175.700000114.3
61F53.7Low59Low19 Ų1991.5 Ų91.58%0.08350%0.501CS..Hα-helixtrans-91.9-20.3-172.8-66.6-81.4000114.4V57 M58 S59 H63 A64 L65 P117 V170 V172V57-F61 HydrophobicContact CG1-CE2 4.25Å; V57-F61 WeakPolarHBondContact O-CD2 3.47Å; M58-F61 HydrophobicContact CE-CB 4.44Å; M58-F61 HydrophobicContact CE-CD2 3.13Å; M58-F61 HydrophobicContact CE-CE2 3.45Å; M58-F61 VanDerWaalsContact CE-CE2 3.45Å; M58-F61 HydrophobicContact CE-CG 3.96Å; M58-F61 HydrophobicContact CE-CZ 4.48Å; M58-F61 HydrophobicContact SD-CB 4.19Å; M58-F61 HydrophobicContact SD-CD2 3.87Å; M58-F61 HydrophobicContact SD-CG 4.35Å; S59-F61 PolarHBondContact O-N 2.83Å; F61-H63 PolarHBondContact O-N 3.44Å; F61-A64 PolarHBondContact O-N 2.83Å; F61-L65 WeakPolarHBondContact O-CG 3.3Å; F61-L65 PolarHBondContact O-N 3.46Å; F61-P117 HydrophobicContact CD1-CG 3.87Å; F61-V170 HydrophobicContact CE1-CG1 4.34Å; F61-V172 HydrophobicContact CE1-CG1 4.11Å; F61-V172 HydrophobicContact CZ-CG1 3.79Å
62H56.3Low57.1Low116 Ų11699.2 Ų99.254%0.53753%0.525SS..Hα-helixtrans-58.1-40.4176.9-87.381.4000111.4M58 A64 L65 Q66M58-H62 PolarHBondContact O-ND1 3.11Å; H62-A64 PolarHBondContact O-N 2.99Å; H62-L65 PolarHBondContact O-N 3.18Å; H62-Q66 WeakPolarHBondContact O-CB 3.42Å; H62-Q66 WeakPolarHBondContact O-CG 3.27Å; H62-Q66 PolarHBondContact O-N 3.01Å
63H57Low55.7Low130 Ų13093.6 Ų93.660%0.60251%0.509SS*.Hα-helixtrans-68.6-32.9176.2-68.6-58.8000113.5F61 Q66 L67F61-H63 PolarHBondContact O-N 3.44Å; H63-Q66 PolarHBondContact ND1-OE1 3.5Å; H63-Q66 PolarHBondContact O-N 3.19Å; H63-L67 WeakPolarHBondContact O-CG 3.41Å; H63-L67 PolarHBondContact O-N 3.06Å
64A56.6Low54.6Low9 Ų998.6 Ų98.67%0.07454%0.536CS..Hα-helixtrans-73.7-32.4177.200000112.3F61 H62 L67 P117F61-A64 PolarHBondContact O-N 2.83Å; H62-A64 PolarHBondContact O-N 2.99Å; A64-L67 WeakPolarHBondContact O-CB 3.34Å; A64-L67 PolarHBondContact O-N 3.41Å; A64-P117 HydrophobicContact CB-CB 4.27Å; A64-P117 HydrophobicContact CB-CG 3.99Å
65L55.7Low54.7Low94 Ų94100.6 Ų100.649%0.49255%0.546SS..Hα-helixtrans-78.1-23.9173.9-67.6172.4000112.8F61 H62 L67 P117F61-L65 WeakPolarHBondContact O-CG 3.3Å; F61-L65 PolarHBondContact O-N 3.46Å; H62-L65 PolarHBondContact O-N 3.18Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L65-P117 HydrophobicContact CD2-CG 4.14Å; L65-P117 HydrophobicContact CG-CG 4.38Å
66Q55.2Low55.7Low129 Ų12999.9 Ų99.960%0.60354%0.542SS*.SBendtrans-79.4-10.8169.9-76.2170.41.600113.4H62 H63 E68H62-Q66 WeakPolarHBondContact O-CB 3.42Å; H62-Q66 WeakPolarHBondContact O-CG 3.27Å; H62-Q66 PolarHBondContact O-N 3.01Å; H63-Q66 PolarHBondContact ND1-OE1 3.5Å; H63-Q66 PolarHBondContact O-N 3.19Å; Q66-E68 PolarHBondContact O-N 3.31Å
67L54.5Low57.1Low85 Ų8597.8 Ų97.845%0.44551%0.514SS..SBendtrans-64100.8164.1-57.9174.6000104.7H63 A64 L65 Y103H63-L67 WeakPolarHBondContact O-CG 3.41Å; H63-L67 PolarHBondContact O-N 3.06Å; A64-L67 WeakPolarHBondContact O-CB 3.34Å; A64-L67 PolarHBondContact O-N 3.41Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L67-Y103 HydrophobicContact CD1-CD2 3.65Å; L67-Y103 HydrophobicContact CD1-CE2 3.97Å
68E47.3Very low58.4Low164 Ų16497.3 Ų97.377%0.76651%0.513SS*.  trans-39.7147.3166.9-78-170.8132.500108.7Q66 R70Q66-E68 PolarHBondContact O-N 3.31Å; E68-R70 PolarHBondContact O-N 2.99Å
69P47.3Very low59.1Low102 Ų102101.4 Ų101.466%0.66254%0.54SS*.  trans-57.892.7173.7-12.424.4000108.2D71P69-D71 HydrophobicContact CB-CB 4.24Å; P69-D71 VanDerWaalsContact CB-CG 3.45Å; P69-D71 WeakPolarHBondContact CB-OD2 3.08Å; P69-D71 PolarHBondContact O-N 2.92Å
70R51.6Low59.6Low161 Ų16198.2 Ų98.261%0.60852%0.519SS*.  trans-7549.7161.7-104.8-164.6167-177.2-0107.5E68 K72 L73E68-R70 PolarHBondContact O-N 2.99Å; R70-K72 PolarHBondContact O-N 2.88Å; R70-L73 HydrophobicContact CG-CD1 4.24Å; R70-L73 PolarHBondContact O-N 2.94Å
71D45.9Very low59.8Low140 Ų140100.1 Ų100.175%0.74952%0.524SS*.THydrogen-bonded Turntrans-62.68.9171.3-73.6-18.6000111.8P69P69-D71 HydrophobicContact CB-CB 4.24Å; P69-D71 VanDerWaalsContact CB-CG 3.45Å; P69-D71 WeakPolarHBondContact CB-OD2 3.08Å; P69-D71 PolarHBondContact O-N 2.92Å
72K47Very low59.9Low195 Ų195104 Ų10485%0.84855%0.551SS**THydrogen-bonded Turntrans-141.315.6-175.8-62.9-167.1-178.6-176.10115.2R70R70-K72 PolarHBondContact O-N 2.88Å
73L57.9Low59.8Low78 Ų78101.5 Ų101.541%0.40855%0.546SS..  trans-98.4118.3153.3-91.177.4000106.9R70 L75R70-L73 HydrophobicContact CG-CD1 4.24Å; R70-L73 PolarHBondContact O-N 2.94Å; L73-L75 HydrophobicContact CB-CD1 4.44Å; L73-L75 HydrophobicContact CB-CD2 3.82Å; L73-L75 HydrophobicContact CB-CG 3.7Å; L73-L75 HydrophobicContact CD2-CD2 3.97Å; L73-L75 PolarHBondContact O-N 3.33Å
74N59.7Low59.5Low159 Ų159101.1 Ų101.185%0.8556%0.556SS**  trans-63.379.9160.1-68.6-30.2000106.6T76N74-T76 VanDerWaalsContact C-N 3.29Å; N74-T76 PolarHBondContact O-N 2.87Å; N74-T76 PolarHBondContact O-OG1 3.23Å
75L74.7Confident59.3Low50 Ų50104.1 Ų104.126%0.26258%0.58SS.*  trans-73.890.5-177.2-70.8164.5000106.8L73 L95 A102 L122L73-L75 HydrophobicContact CB-CD1 4.44Å; L73-L75 HydrophobicContact CB-CD2 3.82Å; L73-L75 HydrophobicContact CB-CG 3.7Å; L73-L75 HydrophobicContact CD2-CD2 3.97Å; L73-L75 PolarHBondContact O-N 3.33Å; L75-L95 HydrophobicContact CD2-CD2 4.44Å; L75-A102 HydrophobicContact CB-CB 4.46Å; L75-A102 HydrophobicContact CD1-CB 3.69Å; L75-L122 HydrophobicContact CB-CD1 4.26Å; L75-L122 HydrophobicContact CB-CD2 3.97Å; L75-L122 WeakPolarHBondContact O-CD2 2.88Å
76T82.3Confident59.2Low111 Ų111102.9 Ų102.968%0.68157%0.574SS**PPolyproline II helixtrans-92.5165.1171-40000109.7N74 P78N74-T76 VanDerWaalsContact C-N 3.29Å; N74-T76 PolarHBondContact O-N 2.87Å; N74-T76 PolarHBondContact O-OG1 3.23Å; T76-P78 WeakPolarHBondContact O-CD 3.41Å; T76-P78 VanDerWaalsContact O-N 3.13Å
77C86.9Confident59.1Low34 Ų34102.7 Ų102.723%0.2358%0.582CS.*PPolyproline II helixtrans-51.5121170.7-173.90000109.8T79 L122 C123C77-T79 PolarHBondContact O-N 3.18Å; C77-L122 WeakPolarHBondContact CB-O 3.4Å; C77-L122 PolarHBondContact N-O 2.7Å; C77-C123 VanDerWaalsContact CA-SG 3.51Å; C77-C123 HydrophobicContact CB-CB 4.05Å; C77-C123 WeakPolarHBondContact CB-SG 3.43Å; C77-C123 WeakPolarHBondContact SG-CB 3.03Å; C77-C123 CovalentContact SG-SG 2.04Å; C77-C123 PolarHBondContact SG-SG 2.91Å
78P82.4Confident59.1Low55 Ų55108 Ų10836%0.35760%0.601SS.*PPolyproline II helixtrans-58.9127.6179.7-23.232.9000110.2T76 P100 L127T76-P78 WeakPolarHBondContact O-CD 3.41Å; T76-P78 VanDerWaalsContact O-N 3.13Å; P78-P100 HydrophobicContact CG-CG 4.21Å; P78-L127 HydrophobicContact CB-CD1 4.44Å; P78-L127 HydrophobicContact CG-CD1 4.5Å
79T69.2Low59.9Low121 Ų121104.6 Ų104.674%0.74259%0.592SS**  trans-91.4105.7172.1-54.90000107.5C77 T81C77-T79 PolarHBondContact O-N 3.18Å; T79-T81 PolarHBondContact O-N 3.24Å
80A60.5Low61.1Low35 Ų35110.6 Ų110.629%0.28960%0.602SS.*SBendtrans29.619146.200000121.7H131A80-H131 CarbonylContact C-O 3.54Å; A80-H131 VanDerWaalsContact CA-O 3.25Å; A80-H131 WeakPolarHBondContact CA-O 3.33Å; A80-H131 WeakPolarHBondContact CB-O 3.14Å
81T54.5Low62.3Low116 Ų116105 Ų10571%0.71258%0.584SS**  trans-145.795.8176.9-29.20000108.3T79 S83T79-T81 PolarHBondContact O-N 3.24Å; T81-S83 PolarHBondContact O-N 2.91Å; T81-S83 VanDerWaalsContact O-N 3.07Å
82P56.4Low64Low101 Ų101101.3 Ų101.366%0.65657%0.567SS**  trans-55.6116.8165.2-18.330.6000107.3
83S53.7Low65.9Low62 Ų6297.2 Ų97.243%0.43456%0.558SS.*  trans-65.6150.9171.176.90000108.6T81 A85 D86T81-S83 PolarHBondContact O-N 2.91Å; T81-S83 VanDerWaalsContact O-N 3.07Å; S83-A85 PolarHBondContact O-N 2.7Å; S83-D86 WeakPolarHBondContact O-CB 3.35Å; S83-D86 PolarHBondContact O-N 2.99Å
84P51.2Low67.4Low123 Ų12394.3 Ų94.380%0.79954%0.543SS*.THydrogen-bonded Turntrans-57-17.4175.2-23.232.2000114D86 T87P84-D86 VanDerWaalsContact C-N 3.31Å; P84-T87 PolarHBondContact O-OG1 3.47Å
85A50.9Low68.6Low72 Ų7288.6 Ų88.660%0.59551%0.512SS*.THydrogen-bonded Turntrans-75.7-18.1174.400000113.4S83 T87S83-A85 PolarHBondContact O-N 2.7Å; A85-T87 VanDerWaalsContact C-N 3.34Å
86D53.9Low69.2Low67 Ų6794 Ų9436%0.35853%0.529SS..THydrogen-bonded Turntrans-80.5-17-176.4-137.411.9000112.5S83 P84 L91S83-D86 WeakPolarHBondContact O-CB 3.35Å; S83-D86 PolarHBondContact O-N 2.99Å; P84-D86 VanDerWaalsContact C-N 3.31Å; D86-L91 WeakPolarHBondContact OD1-CD1 3.37Å
87T53.7Low69.6Low126 Ų12690 Ų9077%0.77351%0.506SS*.THydrogen-bonded Turntrans-78.7-19.7-179.9-9.50000112.9P84 A85P84-T87 PolarHBondContact O-OG1 3.47Å; A85-T87 VanDerWaalsContact C-N 3.34Å
88K54.4Low69.9Low195 Ų19592.3 Ų92.385%0.84852%0.515SS*.SBendtrans-89.3-14.8-176.5-163.2164.9-175.71680113.6
89T63.2Low70.4Confident94 Ų9489.9 Ų89.958%0.57750%0.499SS*.SBendtrans-123.3115.7-176.8-39.10000109.2L91T89-L91 PolarHBondContact O-N 2.6Å
90R74.1Confident71.6Confident228 Ų22884.1 Ų84.186%0.8646%0.464SS*.  trans-6596.3177.3-171.3-178-174.3-144.23.1109.1
91L75.7Confident73.1Confident44 Ų4483.7 Ų83.723%0.2346%0.455CS..  trans-57.5146.9178.5-69-178.2000111.5D86 T89 L95 R96D86-L91 WeakPolarHBondContact OD1-CD1 3.37Å; T89-L91 PolarHBondContact O-N 2.6Å; L91-L95 HydrophobicContact CB-CB 4.44Å; L91-L95 HydrophobicContact CD1-CB 4.33Å; L91-L95 HydrophobicContact CD2-CD1 4.31Å; L91-R96 HydrophobicContact CB-CG 3.73Å; L91-R96 WeakPolarHBondContact O-CD 3.14Å
92P82.8Confident74.9Confident62 Ų6278.3 Ų78.340%0.40342%0.422SS..  trans-67.5161175.731.4-37.7000111.6N94 L95 R96P92-N94 WeakPolarHBondContact CB-OD1 3.46Å; P92-N94 WeakPolarHBondContact CG-OD1 3.28Å; P92-N94 PolarHBondContact O-N 3.02Å; P92-N94 VanDerWaalsContact O-N 3.17Å; P92-L95 HydrophobicContact CG-CD1 4.13Å; P92-L95 HydrophobicContact CG-CG 4.17Å; P92-L95 PolarHBondContact O-N 3.27Å; P92-L95 VanDerWaalsContact O-N 3.09Å; P92-R96 PolarHBondContact O-N 2.8Å
93V86.2Confident76.4Confident108 Ų10876.7 Ų76.766%0.65540%0.403SS*.Hα-helixtrans-55.9-36.2-174.464.90000113.1L95 R96 S97 W101V93-L95 VanDerWaalsContact C-N 3.26Å; V93-L95 PolarHBondContact O-N 3.45Å; V93-R96 PolarHBondContact O-N 2.96Å; V93-S97 PolarHBondContact O-N 2.72Å; V93-W101 HydrophobicContact CG1-CH2 4.45Å; V93-W101 HydrophobicContact CG1-CZ2 4.33Å
94N88.4Confident78.1Confident18 Ų1879.6 Ų79.610%0.09641%0.405CS..Hα-helixtrans-65.2-27.4-178.466.1-65.6000113.4P92 P100 W101P92-N94 WeakPolarHBondContact CB-OD1 3.46Å; P92-N94 WeakPolarHBondContact CG-OD1 3.28Å; P92-N94 PolarHBondContact O-N 3.02Å; P92-N94 VanDerWaalsContact O-N 3.17Å; N94-P100 WeakPolarHBondContact O-CA 3.29Å; N94-P100 WeakPolarHBondContact O-CB 3.5Å; N94-W101 HydrophobicContact CB-CD2 3.63Å; N94-W101 HydrophobicContact CB-CE3 4.28Å; N94-W101 HydrophobicContact CB-CG 3.99Å; N94-W101 HydrophobicContact CB-CH2 4.25Å; N94-W101 HydrophobicContact CB-CZ2 3.59Å; N94-W101 WeakPolarHBondContact CB-O 3.36Å; N94-W101 PolarHBondContact ND2-O 2.89Å; N94-W101 PolarHBondContact O-N 3.25Å
95L86.3Confident79.9Confident39 Ų3978.2 Ų78.220%0.20439%0.39CS..Hα-helixtrans-93.9-20.3176.7-60.7-177.2000112.9L75 L91 P92 V93 L122L75-L95 HydrophobicContact CD2-CD2 4.44Å; L91-L95 HydrophobicContact CB-CB 4.44Å; L91-L95 HydrophobicContact CD1-CB 4.33Å; L91-L95 HydrophobicContact CD2-CD1 4.31Å; P92-L95 HydrophobicContact CG-CD1 4.13Å; P92-L95 HydrophobicContact CG-CG 4.17Å; P92-L95 PolarHBondContact O-N 3.27Å; P92-L95 VanDerWaalsContact O-N 3.09Å; V93-L95 VanDerWaalsContact C-N 3.26Å; V93-L95 PolarHBondContact O-N 3.45Å; L95-L122 HydrophobicContact CD2-CD1 4.31Å
96R86.1Confident81.8Confident164 Ų16476.1 Ų76.162%0.61937%0.37SS*.Hα-helixtrans-89-11.7176.7-67-179.661.8-161.9-2.3114L91 P92 V93L91-R96 HydrophobicContact CB-CG 3.73Å; L91-R96 WeakPolarHBondContact O-CD 3.14Å; P92-R96 PolarHBondContact O-N 2.8Å; V93-R96 PolarHBondContact O-N 2.96Å
97S90.8Very high83.6Confident26 Ų2678.8 Ų78.818%0.18238%0.376CS..SBendtrans-63.9146.2177.3176.50000111.6V93 S99 P100V93-S97 PolarHBondContact O-N 2.72Å; S97-S99 PolarHBondContact O-N 2.87Å; S97-S99 PolarHBondContact OG-N 2.82Å; S97-S99 PolarHBondContact OG-O 3.26Å; S97-S99 PolarHBondContact OG-OG 3.03Å; S97-P100 WeakPolarHBondContact O-CD 3.26Å
98I93Very high85.5Confident83 Ų8374.3 Ų74.343%0.42635%0.348SS..SBendtrans-64.5-15.616860.9168000112.8C126 L127 V128 C176I98-C126 CarbonylContact O-C 3.57Å; I98-C126 WeakPolarHBondContact O-CA 3.44Å; I98-L127 PolarHBondContact O-N 3.44Å; I98-V128 HydrophobicContact CB-CG1 4.22Å; I98-V128 HydrophobicContact CD1-CG1 3.92Å; I98-V128 HydrophobicContact CG2-CG1 4.31Å; I98-C176 HydrophobicContact CD1-CB 3.66Å; I98-C176 HydrophobicContact CG1-CB 4.13Å
99S94.4Very high87.4Confident3 Ų367.4 Ų67.42%0.02132%0.323CS..SBendtrans-125.674.1173.3490000107.7S97 S140 C174 T175 C176S97-S99 PolarHBondContact O-N 2.87Å; S97-S99 PolarHBondContact OG-N 2.82Å; S97-S99 PolarHBondContact OG-O 3.26Å; S97-S99 PolarHBondContact OG-OG 3.03Å; S99-S140 VanDerWaalsContact CB-OG 3.24Å; S99-S140 WeakPolarHBondContact CB-OG 3.4Å; S99-C174 WeakPolarHBondContact O-CB 3.22Å; S99-C174 PolarHBondContact OG-O 2.93Å; S99-T175 VanDerWaalsContact OG-CA 3.27Å; S99-T175 WeakPolarHBondContact OG-CA 3.49Å; S99-T175 PolarHBondContact OG-N 3.17Å; S99-C176 PolarHBondContact OG-N 2.83Å
100P92.9Very high88.9Confident0 Ų066.3 Ų66.30%031%0.313CS..  trans-68.1148.7-169.427.9-34.5000111.8P78 N94 S97 L122 L127P78-P100 HydrophobicContact CG-CG 4.21Å; N94-P100 WeakPolarHBondContact O-CA 3.29Å; N94-P100 WeakPolarHBondContact O-CB 3.5Å; S97-P100 WeakPolarHBondContact O-CD 3.26Å; P100-L122 HydrophobicContact CB-CD1 4.27Å; P100-L122 HydrophobicContact CG-CB 4.35Å; P100-L122 PolarHBondContact O-N 2.94Å; P100-L127 HydrophobicContact CG-CD1 3.96Å
101W93.3Very high89.9Confident27 Ų2756.8 Ų56.810%0.10228%0.277CS..EExtended strand (participates in β ladder)trans-136.5157.7-179.870.193.3000112.4V93 N94 Y103 A119 Y120 C174V93-W101 HydrophobicContact CG1-CH2 4.45Å; V93-W101 HydrophobicContact CG1-CZ2 4.33Å; N94-W101 HydrophobicContact CB-CD2 3.63Å; N94-W101 HydrophobicContact CB-CE3 4.28Å; N94-W101 HydrophobicContact CB-CG 3.99Å; N94-W101 HydrophobicContact CB-CH2 4.25Å; N94-W101 HydrophobicContact CB-CZ2 3.59Å; N94-W101 WeakPolarHBondContact CB-O 3.36Å; N94-W101 PolarHBondContact ND2-O 2.89Å; N94-W101 PolarHBondContact O-N 3.25Å; W101-Y103 AromaticContact CD1-CE2 3.94Å; W101-Y103 AromaticContact CD1-CZ 3.77Å; W101-Y103 AromaticContact NE1-CE2 3.63Å; W101-Y103 AromaticContact NE1-CZ 3.31Å; W101-Y103 VanDerWaalsContact NE1-CZ 3.31Å; W101-Y103 PolarHBondContact NE1-OH 3.09Å; W101-A119 HydrophobicContact CG-CB 4.33Å; W101-Y120 VanDerWaalsContact CA-O 3.24Å; W101-Y120 WeakPolarHBondContact CA-O 3.19Å; W101-Y120 VanDerWaalsContact CB-O 3.27Å; W101-Y120 WeakPolarHBondContact CB-O 3.36Å; W101-C174 HydrophobicContact CB-CB 4.1Å; W101-C174 HydrophobicContact CE3-CB 4.16Å
102A91Very high90.7Very high3 Ų355.6 Ų55.63%0.02527%0.27CS..EExtended strand (participates in β ladder)trans-124.6169.3168.300000109.4L75 A119 Y120 L122L75-A102 HydrophobicContact CB-CB 4.46Å; L75-A102 HydrophobicContact CD1-CB 3.69Å; A102-A119 CarbonylContact O-C 3.58Å; A102-A119 WeakPolarHBondContact O-CA 3.16Å; A102-Y120 HydrophobicContact CB-CD1 4.49Å; A102-Y120 HydrophobicContact CB-CE1 3.75Å; A102-Y120 HydrophobicContact CB-CE2 4.11Å; A102-Y120 WeakPolarHBondContact CB-OH 3.43Å; A102-Y120 PolarHBondContact N-O 2.83Å; A102-Y120 VanDerWaalsContact O-CD1 3.27Å; A102-Y120 WeakPolarHBondContact O-CD1 3.47Å; A102-Y120 PolarHBondContact O-N 3.44Å; A102-L122 HydrophobicContact CB-CD2 3.74Å; A102-L122 HydrophobicContact CB-CG 4.48Å
103Y89.4Confident91.2Very high66 Ų6654.1 Ų54.126%0.25926%0.261SS..EExtended strand (participates in β ladder)trans-107.9139.7178.6-65.7-80.5000109.9L67 W101 P117 E118 A119 V172L67-Y103 HydrophobicContact CD1-CD2 3.65Å; L67-Y103 HydrophobicContact CD1-CE2 3.97Å; W101-Y103 AromaticContact CD1-CE2 3.94Å; W101-Y103 AromaticContact CD1-CZ 3.77Å; W101-Y103 AromaticContact NE1-CE2 3.63Å; W101-Y103 AromaticContact NE1-CZ 3.31Å; W101-Y103 VanDerWaalsContact NE1-CZ 3.31Å; W101-Y103 PolarHBondContact NE1-OH 3.09Å; Y103-P117 HydrophobicContact CD1-CB 4.12Å; Y103-P117 HydrophobicContact CG-CB 4.47Å; Y103-E118 WeakPolarHBondContact CA-O 3.46Å; Y103-A119 HydrophobicContact CD1-CB 4.09Å; Y103-A119 HydrophobicContact CE1-CB 3.83Å; Y103-V172 PolarHBondContact OH-O 3.3Å
104R89.5Confident91.5Very high123 Ų12351.7 Ų51.746%0.46424%0.239SC..EExtended strand (participates in β ladder)trans-111.2146.5163.263.1175.2-176.7-97.4-7.8108.4E118 Y120R104-E118 HydrophobicContact CG-CB 4.1Å; R104-E118 WeakPolarHBondContact CG-O 3.19Å; R104-E118 IonicContact CZ-OE2 3.39Å; R104-E118 PolarHBondContact N-O 2.96Å; R104-E118 IonicContact NE-OE2 3.22Å; R104-E118 PolarHBondContact NE-OE2 2.73Å; R104-E118 IonicContact NH2-OE2 2.75Å; R104-E118 PolarHBondContact NH2-OE2 3.47Å; R104-E118 PolarHBondContact O-N 2.77Å; R104-Y120 HydrophobicContact CB-CD1 4.15Å; R104-Y120 HydrophobicContact CB-CE1 4.11Å; R104-Y120 HydrophobicContact CG-CD1 4.19Å
105I88.3Confident91.5Very high95 Ų9556.9 Ų56.949%0.48726%0.259SS..EExtended strand (participates in β ladder)trans-90.6116.4177.7-55.8-56.6000109.6Y115 P117I105-Y115 HydrophobicContact CG2-CD1 3.62Å; I105-Y115 HydrophobicContact CG2-CG 4.22Å; I105-P117 HydrophobicContact CD1-CB 3.92Å
106S89.6Confident91.7Very high27 Ų2755.6 Ų55.619%0.18925%0.252CS..EExtended strand (participates in β ladder)trans-85.3113.8172-178.80000109R111 Y115 I116 E118S106-R111 VanDerWaalsContact C-NH2 3.34Å; S106-R111 PolarHBondContact O-NH2 2.95Å; S106-R111 PolarHBondContact OG-NH2 3.49Å; S106-Y115 WeakPolarHBondContact O-CA 3.44Å; S106-I116 WeakPolarHBondContact CB-O 3.1Å; S106-I116 PolarHBondContact N-O 2.74Å; S106-I116 PolarHBondContact O-N 2.84Å; S106-E118 VanDerWaalsContact CB-OE1 3.28Å; S106-E118 WeakPolarHBondContact CB-OE1 3.38Å; S106-E118 PolarHBondContact OG-OE1 2.97Å
107Y92.5Very high91.9Very high124 Ų12448 Ų4849%0.48622%0.223SC..EExtended strand (participates in β ladder)trans-101.8133.2176.1174.9-103.1000111.3P109 R114 Y115Y107-P109 HydrophobicContact CE1-CB 4.28Å; Y107-P109 HydrophobicContact CE1-CG 4.29Å; Y107-R114 WeakPolarHBondContact CA-O 3Å; Y107-R114 HydrophobicContact CD2-CB 4.2Å; Y107-R114 HydrophobicContact CE2-CB 4.03Å; Y107-Y115 AromaticContact CD2-CD1 3.75Å; Y107-Y115 HydrophobicContact CD2-CD1 3.75Å; Y107-Y115 AromaticContact CD2-CE1 3.29Å; Y107-Y115 HydrophobicContact CD2-CE1 3.29Å; Y107-Y115 HydrophobicContact CD2-CE2 4.17Å; Y107-Y115 HydrophobicContact CD2-CG 4.38Å; Y107-Y115 AromaticContact CD2-CZ 3.53Å; Y107-Y115 AromaticContact CE2-CE1 3.97Å; Y107-Y115 HydrophobicContact CE2-CE1 3.97Å; Y107-Y115 HydrophobicContact CE2-CE2 4.24Å; Y107-Y115 AromaticContact CE2-CZ 3.7Å; Y107-Y115 HydrophobicContact CG-CD1 4.45Å; Y107-Y115 HydrophobicContact CG-CE1 4.08Å
108D94.6Very high91.9Very high32 Ų3248.8 Ų48.817%0.17122%0.224CC..  trans-146.7119.9169.1176-1.3000109.9N110 R111 R114D108-N110 PolarHBondContact O-N 2.93Å; D108-N110 WeakPolarHBondContact OD1-CB 3.36Å; D108-N110 PolarHBondContact OD1-N 3.35Å; D108-N110 PolarHBondContact OD1-ND2 2.69Å; D108-R111 HydrophobicContact CB-CG 3.88Å; D108-R111 IonicContact OD2-NH1 3.11Å; D108-R111 PolarHBondContact OD2-NH1 2.85Å; D108-R114 PolarHBondContact N-O 3.46Å
109P93.6Very high92Very high49 Ų4944.9 Ų44.932%0.31821%0.205SC..THydrogen-bonded Turntrans-70.1-14.8-177.929.2-34.8000113.3Y107 R114Y107-P109 HydrophobicContact CE1-CB 4.28Å; Y107-P109 HydrophobicContact CE1-CG 4.29Å; P109-R114 PolarHBondContact O-NH1 3.23Å
110N94.7Very high91.9Very high71 Ų7148.7 Ų48.738%0.3822%0.219SC..THydrogen-bonded Turntrans-95.913.1-175.4-56.2-59.2000113.2D108 R152D108-N110 PolarHBondContact O-N 2.93Å; D108-N110 WeakPolarHBondContact OD1-CB 3.36Å; D108-N110 PolarHBondContact OD1-N 3.35Å; D108-N110 PolarHBondContact OD1-ND2 2.69Å; N110-R152 HydrophobicContact CB-CB 4.26Å; N110-R152 WeakPolarHBondContact O-CB 3.24Å; N110-R152 PolarHBondContact O-N 2.92Å
111R94.3Very high92Very high28 Ų2850.2 Ų50.211%0.10623%0.23CC..EExtended strand (participates in β ladder)trans-139162.8175.469.4178.2-177.6-120.63111.9S106 D108 R114 I149 L150S106-R111 VanDerWaalsContact C-NH2 3.34Å; S106-R111 PolarHBondContact O-NH2 2.95Å; S106-R111 PolarHBondContact OG-NH2 3.49Å; D108-R111 HydrophobicContact CB-CG 3.88Å; D108-R111 IonicContact OD2-NH1 3.11Å; D108-R111 PolarHBondContact OD2-NH1 2.85Å; R111-R114 VanDerWaalsContact O-CG 3.26Å; R111-R114 WeakPolarHBondContact O-CG 3.43Å; R111-I149 HydrophobicContact CB-CD1 4.06Å; R111-L150 CarbonylContact C-O 3.55Å; R111-L150 WeakPolarHBondContact CA-O 3.3Å
112Y93.6Very high92Very high19 Ų1950 Ų508%0.07523%0.231CC..EExtended strand (participates in β ladder)trans-125.2132167-179.4-77.9000109.6E43 L46 E47 F50 L150E43-Y112 HydrophobicContact CG-CE2 4.24Å; E43-Y112 VanDerWaalsContact OE1-CE2 3.22Å; E43-Y112 WeakPolarHBondContact OE1-CE2 3.41Å; L46-Y112 HydrophobicContact CB-CD1 4.07Å; L46-Y112 HydrophobicContact CB-CD2 3.55Å; L46-Y112 HydrophobicContact CB-CE1 4.29Å; L46-Y112 HydrophobicContact CB-CE2 3.75Å; L46-Y112 HydrophobicContact CB-CG 3.73Å; L46-Y112 HydrophobicContact CD1-CD2 3.79Å; L46-Y112 HydrophobicContact CD1-CG 4.24Å; L46-Y112 HydrophobicContact CG-CD2 4.26Å; L46-Y112 HydrophobicContact CG-CG 4.43Å; E47-Y112 WeakPolarHBondContact CA-OH 3.44Å; E47-Y112 WeakPolarHBondContact CB-OH 3.38Å; E47-Y112 HydrophobicContact CG-CE2 4.47Å; E47-Y112 WeakPolarHBondContact CG-OH 3.42Å; E47-Y112 PolarHBondContact OE1-OH 3.49Å; F50-Y112 HydrophobicContact CB-CD1 3.78Å; F50-Y112 HydrophobicContact CB-CE1 3.5Å; F50-Y112 AromaticContact CD1-CE1 4Å; F50-Y112 HydrophobicContact CD1-CE1 4Å; F50-Y112 HydrophobicContact CD2-CD1 4.38Å; F50-Y112 HydrophobicContact CD2-CE1 4.46Å; F50-Y112 HydrophobicContact CG-CD1 4.05Å; F50-Y112 AromaticContact CG-CE1 3.75Å; F50-Y112 HydrophobicContact CG-CE1 3.75Å; Y112-L150 HydrophobicContact CD1-CD1 4.2Å; Y112-L150 PolarHBondContact N-O 3.22Å; Y112-L150 PolarHBondContact O-N 3.44Å
113P92.6Very high92.1Very high32 Ų3250.2 Ų50.221%0.20823%0.231CC..SBendcis-67.3143.8-628.8-35.1000111.6F50 Y115 I116F50-P113 HydrophobicContact CE2-CG 4.39Å; F50-P113 HydrophobicContact CZ-CG 4.23Å; P113-Y115 VanDerWaalsContact C-N 3.27Å; P113-Y115 PolarHBondContact O-N 3.05Å; P113-I116 HydrophobicContact CG-CG1 4.25Å
114R92.1Very high92.2Very high56 Ų5655.3 Ų55.321%0.21126%0.255CS..SBendtrans-66.4-33.1-178.1-64.6-180-158.7-106.95.4112.1D40 Y107 D108 P109 R111D40-R114 IonicContact OD2-CZ 3.44Å; D40-R114 VanDerWaalsContact OD2-CZ 3.31Å; D40-R114 IonicContact OD2-NH1 3.78Å; D40-R114 PolarHBondContact OD2-NH1 2.86Å; D40-R114 IonicContact OD2-NH2 3.46Å; D40-R114 PolarHBondContact OD2-NH2 2.72Å; Y107-R114 WeakPolarHBondContact CA-O 3Å; Y107-R114 HydrophobicContact CD2-CB 4.2Å; Y107-R114 HydrophobicContact CE2-CB 4.03Å; D108-R114 PolarHBondContact N-O 3.46Å; P109-R114 PolarHBondContact O-NH1 3.23Å; R111-R114 VanDerWaalsContact O-CG 3.26Å; R111-R114 WeakPolarHBondContact O-CG 3.43Å
115Y89.4Confident92.4Very high128 Ų12849.5 Ų49.550%0.50223%0.234SC..EExtended strand (participates in β ladder)trans-107125-178.7-58.1-84000109.6I105 S106 Y107 P113I105-Y115 HydrophobicContact CG2-CD1 3.62Å; I105-Y115 HydrophobicContact CG2-CG 4.22Å; S106-Y115 WeakPolarHBondContact O-CA 3.44Å; Y107-Y115 AromaticContact CD2-CD1 3.75Å; Y107-Y115 HydrophobicContact CD2-CD1 3.75Å; Y107-Y115 AromaticContact CD2-CE1 3.29Å; Y107-Y115 HydrophobicContact CD2-CE1 3.29Å; Y107-Y115 HydrophobicContact CD2-CE2 4.17Å; Y107-Y115 HydrophobicContact CD2-CG 4.38Å; Y107-Y115 AromaticContact CD2-CZ 3.53Å; Y107-Y115 AromaticContact CE2-CE1 3.97Å; Y107-Y115 HydrophobicContact CE2-CE1 3.97Å; Y107-Y115 HydrophobicContact CE2-CE2 4.24Å; Y107-Y115 AromaticContact CE2-CZ 3.7Å; Y107-Y115 HydrophobicContact CG-CD1 4.45Å; Y107-Y115 HydrophobicContact CG-CE1 4.08Å; P113-Y115 VanDerWaalsContact C-N 3.27Å; P113-Y115 PolarHBondContact O-N 3.05Å
116I90.2Very high92.6Very high11 Ų1145 Ų456%0.05621%0.211CC..EExtended strand (participates in β ladder)trans-127.6123.4176.1-63.1177.9000108.2S106 P113 E118 I149 V170S106-I116 WeakPolarHBondContact CB-O 3.1Å; S106-I116 PolarHBondContact N-O 2.74Å; S106-I116 PolarHBondContact O-N 2.84Å; P113-I116 HydrophobicContact CG-CG1 4.25Å; I116-E118 PolarHBondContact O-N 2.86Å; I116-I149 HydrophobicContact CD1-CG2 3.69Å; I116-V170 HydrophobicContact CG2-CG1 3.75Å; I116-V170 HydrophobicContact CG2-CG2 3.92Å
117P89.8Confident92.7Very high4 Ų445.3 Ų45.33%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-76.8120.1174.831-32.1000109.9F61 A64 L65 Y103 I105F61-P117 HydrophobicContact CD1-CG 3.87Å; A64-P117 HydrophobicContact CB-CB 4.27Å; A64-P117 HydrophobicContact CB-CG 3.99Å; L65-P117 HydrophobicContact CD2-CG 4.14Å; L65-P117 HydrophobicContact CG-CG 4.38Å; Y103-P117 HydrophobicContact CD1-CB 4.12Å; Y103-P117 HydrophobicContact CG-CB 4.47Å; I105-P117 HydrophobicContact CD1-CB 3.92Å
118E91.8Very high92.6Very high43 Ų4342.8 Ų42.820%0.20121%0.207CC..EExtended strand (participates in β ladder)trans-109124.7177.1-70.8176.9-170.900110.1Y103 R104 S106 I116 V170Y103-E118 WeakPolarHBondContact CA-O 3.46Å; R104-E118 HydrophobicContact CG-CB 4.1Å; R104-E118 WeakPolarHBondContact CG-O 3.19Å; R104-E118 IonicContact CZ-OE2 3.39Å; R104-E118 PolarHBondContact N-O 2.96Å; R104-E118 IonicContact NE-OE2 3.22Å; R104-E118 PolarHBondContact NE-OE2 2.73Å; R104-E118 IonicContact NH2-OE2 2.75Å; R104-E118 PolarHBondContact NH2-OE2 3.47Å; R104-E118 PolarHBondContact O-N 2.77Å; S106-E118 VanDerWaalsContact CB-OE1 3.28Å; S106-E118 WeakPolarHBondContact CB-OE1 3.38Å; S106-E118 PolarHBondContact OG-OE1 2.97Å; I116-E118 PolarHBondContact O-N 2.86Å; E118-V170 HydrophobicContact CG-CG1 4.28Å
119A93.4Very high92Very high2 Ų242 Ų422%0.01721%0.207CC..EExtended strand (participates in β ladder)trans-70.1143.9175.400000111.8W101 A102 Y103 A171W101-A119 HydrophobicContact CG-CB 4.33Å; A102-A119 CarbonylContact O-C 3.58Å; A102-A119 WeakPolarHBondContact O-CA 3.16Å; Y103-A119 HydrophobicContact CD1-CB 4.09Å; Y103-A119 HydrophobicContact CE1-CB 3.83Å; A119-A171 HydrophobicContact CB-CB 4.22Å; A119-A171 WeakPolarHBondContact CB-O 3.39Å; A119-A171 PolarHBondContact N-O 2.87Å; A119-A171 WeakPolarHBondContact O-CB 3.26Å
120Y94.2Very high91.2Very high82 Ų8245.1 Ų45.132%0.32223%0.227SC..EExtended strand (participates in β ladder)trans-137.1140.616867.3-87.2000110.8W101 A102 R104 L122W101-Y120 VanDerWaalsContact CA-O 3.24Å; W101-Y120 WeakPolarHBondContact CA-O 3.19Å; W101-Y120 VanDerWaalsContact CB-O 3.27Å; W101-Y120 WeakPolarHBondContact CB-O 3.36Å; A102-Y120 HydrophobicContact CB-CD1 4.49Å; A102-Y120 HydrophobicContact CB-CE1 3.75Å; A102-Y120 HydrophobicContact CB-CE2 4.11Å; A102-Y120 WeakPolarHBondContact CB-OH 3.43Å; A102-Y120 PolarHBondContact N-O 2.83Å; A102-Y120 VanDerWaalsContact O-CD1 3.27Å; A102-Y120 WeakPolarHBondContact O-CD1 3.47Å; A102-Y120 PolarHBondContact O-N 3.44Å; R104-Y120 HydrophobicContact CB-CD1 4.15Å; R104-Y120 HydrophobicContact CB-CE1 4.11Å; R104-Y120 HydrophobicContact CG-CD1 4.19Å; Y120-L122 HydrophobicContact CD2-CD2 4.27Å; Y120-L122 HydrophobicContact CE2-CD2 3.67Å
121C95.1Very high90.3Very high33 Ų3350 Ų5022%0.22325%0.247CC..EExtended strand (participates in β ladder)trans-75.7133.3-176.9-45.60000110.1C123 C174C121-C123 VanDerWaalsContact C-N 3.35Å; C121-C174 WeakPolarHBondContact CA-SG 3.45Å; C121-C174 HydrophobicContact CB-CB 4Å; C121-C174 WeakPolarHBondContact CB-SG 3.46Å; C121-C174 PolarHBondContact N-SG 2.83Å; C121-C174 WeakPolarHBondContact SG-CB 3.44Å; C121-C174 CovalentContact SG-SG 2.04Å; C121-C174 PolarHBondContact SG-SG 3.42Å
122L93.3Very high89.5Confident23 Ų2350.1 Ų50.112%0.1226%0.257CS..SBendtrans-76.6-28.1178.5-60.1-174.7000111.9L75 C77 L95 P100 A102 Y120L75-L122 HydrophobicContact CB-CD1 4.26Å; L75-L122 HydrophobicContact CB-CD2 3.97Å; L75-L122 WeakPolarHBondContact O-CD2 2.88Å; C77-L122 WeakPolarHBondContact CB-O 3.4Å; C77-L122 PolarHBondContact N-O 2.7Å; L95-L122 HydrophobicContact CD2-CD1 4.31Å; P100-L122 HydrophobicContact CB-CD1 4.27Å; P100-L122 HydrophobicContact CG-CB 4.35Å; P100-L122 PolarHBondContact O-N 2.94Å; A102-L122 HydrophobicContact CB-CD2 3.74Å; A102-L122 HydrophobicContact CB-CG 4.48Å; Y120-L122 HydrophobicContact CD2-CD2 4.27Å; Y120-L122 HydrophobicContact CE2-CD2 3.67Å
123C92.2Very high89.1Confident6 Ų650.2 Ų50.24%0.04126%0.264CS..  trans-113.3148.7-173.8-65.90000111C77 C121 G125 Q134 S140C77-C123 VanDerWaalsContact CA-SG 3.51Å; C77-C123 HydrophobicContact CB-CB 4.05Å; C77-C123 WeakPolarHBondContact CB-SG 3.43Å; C77-C123 WeakPolarHBondContact SG-CB 3.03Å; C77-C123 CovalentContact SG-SG 2.04Å; C77-C123 PolarHBondContact SG-SG 2.91Å; C121-C123 VanDerWaalsContact C-N 3.35Å; C123-G125 VanDerWaalsContact CB-O 3.31Å; C123-G125 WeakPolarHBondContact CB-O 3.41Å; C123-Q134 VanDerWaalsContact CB-NE2 3.34Å; C123-S140 VanDerWaalsContact O-CB 3.28Å; C123-S140 WeakPolarHBondContact O-CB 3.43Å
124K92.3Very high88.9Confident173 Ų17351.9 Ų51.975%0.75227%0.269SS*.SBendtrans-78.3-49.3171-69.1-175.8178.9-179.40111.3R139 S140K124-R139 CarbonylContact O-C 3.56Å; K124-R139 VanDerWaalsContact O-CA 3.31Å; K124-R139 WeakPolarHBondContact O-CA 3.32Å; K124-S140 PolarHBondContact O-N 2.95Å
125G92.1Very high88.7Confident2 Ų250.1 Ų50.12%0.02127%0.265CS..SBendtrans-92.7-169.4171.600000112.6C123 Q134 Y138 S140C123-G125 VanDerWaalsContact CB-O 3.31Å; C123-G125 WeakPolarHBondContact CB-O 3.41Å; G125-Q134 VanDerWaalsContact CA-CG 3.45Å; G125-Q134 VanDerWaalsContact N-NE2 3.16Å; G125-Y138 VanDerWaalsContact CA-O 3.26Å; G125-Y138 WeakPolarHBondContact CA-O 3.46Å; G125-S140 PolarHBondContact O-OG 2.89Å
126C93.7Very high88.4Confident0 Ų051.1 Ų51.10%028%0.275CS..BIsolated β-bridgetrans-107.9149.2175-49.30000111.8I98 V128 Q134 S135 Y138 C176I98-C126 CarbonylContact O-C 3.57Å; I98-C126 WeakPolarHBondContact O-CA 3.44Å; C126-V128 HydrophobicContact CB-CG1 4.26Å; C126-V128 HydrophobicContact CB-CG2 4.36Å; C126-V128 PolarHBondContact O-N 2.02Å; C126-Q134 CarbonylContact O-C 3.59Å; C126-Q134 WeakPolarHBondContact O-CA 3.02Å; C126-S135 PolarHBondContact O-N 2.72Å; C126-Y138 WeakPolarHBondContact SG-CB 3.2Å; C126-C176 HydrophobicContact CB-CB 3.96Å; C126-C176 WeakPolarHBondContact CB-SG 3.33Å; C126-C176 WeakPolarHBondContact SG-CA 3.34Å; C126-C176 WeakPolarHBondContact SG-CB 3.3Å; C126-C176 CovalentContact SG-SG 2.02Å; C126-C176 PolarHBondContact SG-SG 2.91Å
127L91.6Very high88.3Confident34 Ų3457.1 Ų57.118%0.17830%0.302CS..SBendtrans-79.655.6179.8-55.1-179.4000111.9P78 I98 P100 G133P78-L127 HydrophobicContact CB-CD1 4.44Å; P78-L127 HydrophobicContact CG-CD1 4.5Å; I98-L127 PolarHBondContact O-N 3.44Å; P100-L127 HydrophobicContact CG-CD1 3.96Å; L127-G133 CarbonylContact C-O 3.55Å; L127-G133 WeakPolarHBondContact CA-O 3.46Å
128V89.3Confident88.5Confident70 Ų7061.1 Ų61.142%0.42432%0.317SS..  trans-110.8-0.1178.3-60.60000112.5I98 C126 G133 Y138I98-V128 HydrophobicContact CB-CG1 4.22Å; I98-V128 HydrophobicContact CD1-CG1 3.92Å; I98-V128 HydrophobicContact CG2-CG1 4.31Å; C126-V128 HydrophobicContact CB-CG1 4.26Å; C126-V128 HydrophobicContact CB-CG2 4.36Å; C126-V128 PolarHBondContact O-N 2.02Å; V128-G133 PolarHBondContact N-O 2.67Å; V128-Y138 HydrophobicContact CG2-CD2 3.77Å; V128-Y138 HydrophobicContact CG2-CE2 4.02Å
129G82.8Confident88.6Confident16 Ų1663.1 Ų63.117%0.16532%0.323CS..SBendtrans-77.4172.3177.400000113H131 G132 G133G129-H131 PolarHBondContact O-N 3.3Å; G129-G132 PolarHBondContact O-N 2.81Å; G129-G133 VanDerWaalsContact CA-O 3.27Å; G129-G133 WeakPolarHBondContact CA-O 2.86Å; G129-G133 PolarHBondContact N-O 3.5Å; G129-G133 PolarHBondContact O-N 2.61Å
130P77.4Confident88.8Confident115 Ų11563.7 Ų63.775%0.74733%0.327SS*.G310 helixtrans-51.6139.3177.1-25.334.1000111.9G132 G133P130-G132 PolarHBondContact O-N 3.39Å; P130-G132 VanDerWaalsContact O-N 3.13Å; P130-G133 PolarHBondContact O-N 2.74Å
131H76.1Confident88.9Confident173 Ų17360.3 Ų60.380%0.80132%0.316SS*.G310 helixtrans58.119.2-177.2-51.4-72.1000115A80 G129 G133A80-H131 CarbonylContact C-O 3.54Å; A80-H131 VanDerWaalsContact CA-O 3.25Å; A80-H131 WeakPolarHBondContact CA-O 3.33Å; A80-H131 WeakPolarHBondContact CB-O 3.14Å; G129-H131 PolarHBondContact O-N 3.3Å; H131-G133 VanDerWaalsContact C-N 3.32Å
132G76.3Confident89Confident30 Ų3061.6 Ų61.631%0.30932%0.324SS..G310 helixtrans78.520-173.600000112.8G129 P130G129-G132 PolarHBondContact O-N 2.81Å; P130-G132 PolarHBondContact O-N 3.39Å; P130-G132 VanDerWaalsContact O-N 3.13Å
133G84.7Confident89.1Confident21 Ų2163.3 Ų63.322%0.21634%0.335CS..PPolyproline II helixtrans-67.4162.9171.200000112.5L127 V128 G129 P130 H131L127-G133 CarbonylContact C-O 3.55Å; L127-G133 WeakPolarHBondContact CA-O 3.46Å; V128-G133 PolarHBondContact N-O 2.67Å; G129-G133 VanDerWaalsContact CA-O 3.27Å; G129-G133 WeakPolarHBondContact CA-O 2.86Å; G129-G133 PolarHBondContact N-O 3.5Å; G129-G133 PolarHBondContact O-N 2.61Å; P130-G133 PolarHBondContact O-N 2.74Å; H131-G133 VanDerWaalsContact C-N 3.32Å
134Q89.4Confident89.3Confident68 Ų6868.8 Ų68.832%0.31836%0.358SS..PPolyproline II helixtrans-78.7127.8178.1-171.7172.887.300111.1C123 G125 C126C123-Q134 VanDerWaalsContact CB-NE2 3.34Å; G125-Q134 VanDerWaalsContact CA-CG 3.45Å; G125-Q134 VanDerWaalsContact N-NE2 3.16Å; C126-Q134 CarbonylContact O-C 3.59Å; C126-Q134 WeakPolarHBondContact O-CA 3.02Å
135S87.6Confident89.2Confident19 Ų1961.9 Ų61.913%0.13333%0.334CS..BIsolated β-bridgetrans-85.4139.6171.4178.20000111.5C126 Q137C126-S135 PolarHBondContact O-N 2.72Å; S135-Q137 VanDerWaalsContact C-N 3.33Å; S135-Q137 PolarHBondContact OG-N 2.8Å
136Q82.6Confident89.1Confident149 Ų14966.3 Ų66.370%0.69636%0.362SS*.THydrogen-bonded Turntrans-906175.1-58.8-64-1300113.1L179Q136-L179 WeakPolarHBondContact O-CD1 3.32Å
137Q89.8Confident88.9Confident137 Ų13766.6 Ų66.664%0.6436%0.364SS*.THydrogen-bonded Turntrans-95.3-10174.6-67176.3-1900112.6S135 L179S135-Q137 VanDerWaalsContact C-N 3.33Å; S135-Q137 PolarHBondContact OG-N 2.8Å; Q137-L179 PolarHBondContact O-N 2.68Å
138Y93.1Very high88.9Confident87 Ų8765.3 Ų65.334%0.34136%0.358SS..EExtended strand (participates in β ladder)trans-130156.4-178.1-59.1-90.4000110.3G125 C126 V128 C176 V177 P178G125-Y138 VanDerWaalsContact CA-O 3.26Å; G125-Y138 WeakPolarHBondContact CA-O 3.46Å; C126-Y138 WeakPolarHBondContact SG-CB 3.2Å; V128-Y138 HydrophobicContact CG2-CD2 3.77Å; V128-Y138 HydrophobicContact CG2-CE2 4.02Å; Y138-C176 VanDerWaalsContact CB-SG 3.56Å; Y138-V177 CarbonylContact C-O 3.42Å; Y138-V177 VanDerWaalsContact CA-O 3.24Å; Y138-V177 WeakPolarHBondContact CA-O 3.41Å; Y138-V177 WeakPolarHBondContact CB-O 3.41Å; Y138-P178 HydrophobicContact CD1-CG 4.42Å; Y138-P178 HydrophobicContact CE1-CG 4.27Å
139R94.9Very high89.1Confident86 Ų8662.2 Ų62.233%0.32534%0.339SS..EExtended strand (participates in β ladder)trans-123.6143.5169.964177.9-179.288.7-5.1111.5K124 V177 L179 E183K124-R139 CarbonylContact O-C 3.56Å; K124-R139 VanDerWaalsContact O-CA 3.31Å; K124-R139 WeakPolarHBondContact O-CA 3.32Å; R139-V177 HydrophobicContact CG-CG2 3.5Å; R139-V177 PolarHBondContact N-O 2.69Å; R139-V177 PolarHBondContact O-N 3.4Å; R139-L179 HydrophobicContact CB-CD2 3.94Å; R139-L179 HydrophobicContact CB-CG 4.2Å; R139-L179 HydrophobicContact CG-CD2 4.07Å; R139-L179 HydrophobicContact CG-CG 4.43Å; R139-E183 IonicContact CZ-OE1 3.77Å; R139-E183 IonicContact NE-OE1 3.02Å; R139-E183 PolarHBondContact NE-OE1 2.89Å; R139-E183 IonicContact NE-OE2 2.99Å; R139-E183 PolarHBondContact NE-OE2 3.42Å; R139-E183 VanDerWaalsContact NE-OE2 3.11Å; R139-E183 IonicContact NH2-OE1 2.6Å; R139-E183 PolarHBondContact NH2-OE1 3.36Å
140S95.8Very high89.7Confident14 Ų1461.5 Ų61.510%0.09833%0.331CS..EExtended strand (participates in β ladder)trans-77.2124.3166.1-68.80000108.5S99 C123 K124 G125 T175S99-S140 VanDerWaalsContact CB-OG 3.24Å; S99-S140 WeakPolarHBondContact CB-OG 3.4Å; C123-S140 VanDerWaalsContact O-CB 3.28Å; C123-S140 WeakPolarHBondContact O-CB 3.43Å; K124-S140 PolarHBondContact O-N 2.95Å; G125-S140 PolarHBondContact O-OG 2.89Å; S140-T175 CarbonylContact C-O 3.54Å; S140-T175 WeakPolarHBondContact CA-O 3.28Å
141A96.5Very high90.6Very high11 Ų1161.9 Ų61.99%0.09132%0.318CS..EExtended strand (participates in β ladder)trans-122.8136.4-178.400000110.4C174 T175 V177A141-C174 CarbonylContact O-C 3.56Å; A141-C174 VanDerWaalsContact O-CA 3.3Å; A141-C174 WeakPolarHBondContact O-CA 3.47Å; A141-T175 PolarHBondContact N-O 2.85Å; A141-T175 PolarHBondContact O-N 3.37Å; A141-V177 HydrophobicContact CB-CG2 4.04Å
142P97Very high91.5Very high59 Ų5956.5 Ų56.538%0.38329%0.29SS..EExtended strand (participates in β ladder)trans-66.8139.3175.327.8-33.5000110.9F144 A171 G173P142-F144 HydrophobicContact CB-CE2 4.07Å; P142-F144 HydrophobicContact CB-CZ 4.18Å; P142-F144 HydrophobicContact CG-CE2 3.74Å; P142-F144 HydrophobicContact CG-CZ 3.95Å; P142-A171 HydrophobicContact CB-CB 4.26Å; P142-G173 CarbonylContact C-O 3.53Å; P142-G173 WeakPolarHBondContact CA-O 3.37Å
143V96.7Very high92.2Very high60 Ų6056.8 Ų56.836%0.36429%0.287SS..EExtended strand (participates in β ladder)trans-98.1125.8172.6-179.80000108.3A171 V172 G173 T175V143-A171 CarbonylContact O-C 3.47Å; V143-A171 WeakPolarHBondContact O-CA 3.4Å; V143-V172 HydrophobicContact CB-CG2 4.48Å; V143-V172 HydrophobicContact CG1-CG2 4.3Å; V143-V172 WeakPolarHBondContact O-CG2 3.33Å; V143-V172 PolarHBondContact O-N 3.31Å; V143-G173 PolarHBondContact N-O 3.28Å; V143-T175 HydrophobicContact CG2-CG2 3.53Å
144F94.8Very high92.4Very high120 Ų12060.1 Ų60.153%0.52632%0.321SS..EExtended strand (participates in β ladder)trans-102.8140.4-178.5-67.2-85.1000111.5P142 S169 V170 A171P142-F144 HydrophobicContact CB-CE2 4.07Å; P142-F144 HydrophobicContact CB-CZ 4.18Å; P142-F144 HydrophobicContact CG-CE2 3.74Å; P142-F144 HydrophobicContact CG-CZ 3.95Å; F144-S169 VanDerWaalsContact CB-OG 3.3Å; F144-S169 WeakPolarHBondContact CB-OG 3.45Å; F144-S169 VanDerWaalsContact CD1-OG 3.29Å; F144-S169 WeakPolarHBondContact CD1-OG 3.5Å; F144-S169 WeakPolarHBondContact CG-OG 3.36Å; F144-V170 WeakPolarHBondContact CA-O 3.44Å; F144-A171 HydrophobicContact CD1-CB 4.12Å; F144-A171 HydrophobicContact CE1-CB 3.91Å
145A90.9Very high92.4Very high29 Ų2959.8 Ų59.824%0.2433%0.326CS..EExtended strand (participates in β ladder)trans-124144.7171.100000110.2S147 V170 V172A145-S147 PolarHBondContact O-N 3.38Å; A145-V170 PolarHBondContact N-O 3.44Å; A145-V170 PolarHBondContact O-N 2.99Å; A145-V172 HydrophobicContact CB-CG1 3.72Å; A145-V172 HydrophobicContact CB-CG2 4.2Å
146P91Very high92.5Very high95 Ų9561.6 Ų61.662%0.61734%0.338SS*.EExtended strand (participates in β ladder)trans-68.8128.1171.329.2-32.8000109.8Y167P146-Y167 HydrophobicContact CB-CD1 4.42Å
147S88.3Confident92.8Very high6 Ų659.6 Ų59.64%0.04234%0.335CS..EExtended strand (participates in β ladder)trans-123133.5172.4-173.70000109.3A145 Y167 V168A145-S147 PolarHBondContact O-N 3.38Å; S147-Y167 WeakPolarHBondContact O-CA 3.48Å; S147-V168 PolarHBondContact N-O 3.47Å; S147-V168 WeakPolarHBondContact O-CG2 3.2Å; S147-V168 PolarHBondContact O-N 3.25Å
148V91.2Very high92.8Very high7 Ų757 Ų574%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-73.9145.9169.465.80000109.8F50 L53 E165 I166 Y167F50-V148 HydrophobicContact CD2-CG1 4.39Å; F50-V148 HydrophobicContact CE2-CG1 4.04Å; F50-V148 WeakPolarHBondContact CE2-O 3.48Å; L53-V148 HydrophobicContact CB-CB 4.45Å; L53-V148 HydrophobicContact CB-CG1 3.86Å; L53-V148 HydrophobicContact CB-CG2 3.96Å; L53-V148 HydrophobicContact CD1-CG2 3.9Å; V148-E165 HydrophobicContact CG2-CB 4.29Å; V148-I166 CarbonylContact C-O 3.53Å; V148-I166 WeakPolarHBondContact CA-O 3.47Å; V148-Y167 HydrophobicContact CB-CD1 4.37Å; V148-Y167 HydrophobicContact CB-CE1 4.09Å
149I93.7Very high92.7Very high4 Ų454.9 Ų54.92%0.02135%0.35CS..EExtended strand (participates in β ladder)trans-139.4155167.561.8168.5000109.5R111 I116 E165 I166 V168R111-I149 HydrophobicContact CB-CD1 4.06Å; I116-I149 HydrophobicContact CD1-CG2 3.69Å; I149-E165 WeakPolarHBondContact O-CA 3.46Å; I149-I166 HydrophobicContact CD1-CD1 3.91Å; I149-I166 HydrophobicContact CD1-CG1 3.9Å; I149-I166 HydrophobicContact CG1-CD1 4.08Å; I149-I166 HydrophobicContact CG1-CG1 3.48Å; I149-I166 VanDerWaalsContact CG1-CG1 3.48Å; I149-I166 PolarHBondContact N-O 3.33Å; I149-I166 PolarHBondContact O-N 3.43Å; I149-V168 HydrophobicContact CD1-CG1 3.6Å; I149-V168 HydrophobicContact CD1-CG2 4.22Å; I149-V168 HydrophobicContact CG1-CG1 4Å; I149-V168 HydrophobicContact CG1-CG2 4.24Å; I149-V168 HydrophobicContact CG2-CG2 3.82Å
150L95.5Very high92.6Very high2 Ų255.8 Ų55.81%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-94.4112.4168.9-59.5174.8000108.5L46 M49 F50 L53 R111 Y112 Y163 T164 E165L46-L150 HydrophobicContact CD2-CD1 4.09Å; M49-L150 HydrophobicContact CB-CD1 3.61Å; M49-L150 HydrophobicContact CB-CD2 4.45Å; M49-L150 HydrophobicContact CE-CD1 4.49Å; M49-L150 HydrophobicContact CE-CD2 4.28Å; F50-L150 HydrophobicContact CB-CD1 4.12Å; L53-L150 HydrophobicContact CD1-CD2 3.73Å; R111-L150 CarbonylContact C-O 3.55Å; R111-L150 WeakPolarHBondContact CA-O 3.3Å; Y112-L150 HydrophobicContact CD1-CD1 4.2Å; Y112-L150 PolarHBondContact N-O 3.22Å; Y112-L150 PolarHBondContact O-N 3.44Å; L150-Y163 HydrophobicContact CB-CD1 4.01Å; L150-T164 CarbonylContact C-O 3.58Å; L150-T164 WeakPolarHBondContact CA-O 3.35Å; L150-E165 HydrophobicContact CD2-CB 4.43Å
151R96.4Very high92.6Very high123 Ų12356.4 Ų56.446%0.46436%0.355SS..EExtended strand (participates in β ladder)trans-94.5132178.3-172.7165.1-173.4135.82.1110.8T153 Y163 T164 I166R151-T153 PolarHBondContact O-N 3.46Å; R151-Y163 CarbonylContact O-C 3.58Å; R151-Y163 VanDerWaalsContact O-CA 3.28Å; R151-Y163 WeakPolarHBondContact O-CA 3.37Å; R151-T164 HydrophobicContact CB-CG2 4.4Å; R151-T164 PolarHBondContact N-O 3.49Å; R151-T164 PolarHBondContact O-N 3.42Å; R151-I166 HydrophobicContact CB-CD1 3.99Å; R151-I166 HydrophobicContact CB-CG1 4.17Å; R151-I166 HydrophobicContact CG-CD1 4.43Å
152R95.5Very high92.5Very high59 Ų5957.5 Ų57.522%0.22336%0.362CS..EExtended strand (participates in β ladder)trans-60.4129.1172.8-164.9-168.8-88.2-177.111.2109.3D40 N110 H161 Y163D40-R152 IonicContact OD1-CZ 3.23Å; D40-R152 IonicContact OD1-NE 3.05Å; D40-R152 PolarHBondContact OD1-NE 2.9Å; D40-R152 IonicContact OD1-NH2 2.7Å; D40-R152 PolarHBondContact OD1-NH2 3Å; D40-R152 IonicContact OD2-NH2 3.31Å; D40-R152 PolarHBondContact OD2-NH2 3.15Å; N110-R152 HydrophobicContact CB-CB 4.26Å; N110-R152 WeakPolarHBondContact O-CB 3.24Å; N110-R152 PolarHBondContact O-N 2.92Å; R152-H161 VanDerWaalsContact CD-CG 3.43Å; R152-H161 WeakPolarHBondContact CD-ND1 3.41Å; R152-H161 HydrophobicContact CG-CB 3.62Å; R152-H161 PolarHBondContact NE-CD2 3.21Å; R152-H161 PolarHBondContact NH1-NE2 3.06Å; R152-Y163 HydrophobicContact CB-CD1 4.45Å; R152-Y163 HydrophobicContact CB-CE1 4.14Å
153T91.3Very high92.4Very high37 Ų3756.1 Ų56.123%0.22735%0.349CS..EExtended strand (participates in β ladder)trans-88.9162.3172.863.30000110.1R151 S155 S162 T164R151-T153 PolarHBondContact O-N 3.46Å; T153-S155 PolarHBondContact O-N 3.24Å; T153-S155 PolarHBondContact OG1-OG 2.92Å; T153-S155 VanDerWaalsContact OG1-OG 3.05Å; T153-S162 WeakPolarHBondContact CB-O 3.45Å; T153-S162 PolarHBondContact N-O 2.88Å; T153-S162 WeakPolarHBondContact OG1-CB 3.24Å; T153-S162 PolarHBondContact OG1-O 3.39Å; T153-S162 PolarHBondContact OG1-OG 2.82Å; T153-T164 HydrophobicContact CG2-CG2 4.02Å
154G87.5Confident92.3Very high91 Ų9156.5 Ų56.594%0.93835%0.352SS*.EExtended strand (participates in β ladder)trans-71.2-9.4175.400000114.3
155S89.4Confident92.2Very high61 Ų6155.6 Ų55.643%0.42735%0.349SS..EExtended strand (participates in β ladder)trans-84.6147-179.739.90000112.6T153 S162T153-S155 PolarHBondContact O-N 3.24Å; T153-S155 PolarHBondContact OG1-OG 2.92Å; T153-S155 VanDerWaalsContact OG1-OG 3.05Å; S155-S162 WeakPolarHBondContact CB-OG 3.13Å; S155-S162 PolarHBondContact O-N 2.72Å; S155-S162 PolarHBondContact O-OG 2.87Å; S155-S162 PolarHBondContact OG-OG 2.62Å
156C90.8Very high92.3Very high56 Ų5656.6 Ų56.638%0.37835%0.35SS..EExtended strand (participates in β ladder)trans-130.2110.5-179.1-174.70000109.4C38 R160C38-C156 HydrophobicContact CB-CB 3.96Å; C38-C156 WeakPolarHBondContact CB-SG 3.27Å; C38-C156 WeakPolarHBondContact SG-CB 3.32Å; C38-C156 CovalentContact SG-SG 2.02Å; C38-C156 PolarHBondContact SG-SG 3.29Å; C156-R160 CarbonylContact C-O 3.6Å; C156-R160 WeakPolarHBondContact CA-O 3.48Å
157V89.3Confident92.4Very high107 Ų10759.4 Ų59.465%0.64835%0.35SS*.EExtended strand (participates in β ladder)trans-114.3122.8-174.8-175.70000107.7G159 R160V157-G159 PolarHBondContact O-N 3.05Å; V157-G159 VanDerWaalsContact O-N 3.15Å; V157-R160 PolarHBondContact N-O 2.69Å; V157-R160 PolarHBondContact O-N 2.59Å
158G88.9Confident92.6Very high84 Ų8461.2 Ų61.287%0.86636%0.36SS*.THydrogen-bonded Turntrans59.526.8-178.400000114.3R160G158-R160 VanDerWaalsContact C-N 3.31Å
159G90.7Very high92.7Very high41 Ų4164.8 Ų64.842%0.42339%0.385SS..THydrogen-bonded Turntrans79.87.7-176.600000114.9L39 V157L39-G159 PolarHBondContact N-O 3.31Å; V157-G159 PolarHBondContact O-N 3.05Å; V157-G159 VanDerWaalsContact O-N 3.15Å
160R94.4Very high92.7Very high105 Ų10564.7 Ų64.740%0.39639%0.385SS..EExtended strand (participates in β ladder)trans-115.7144.7177.7-62.9-76.4-178.7177.43.1111L39 D40 L41 C156 V157 G158L39-R160 CarbonylContact O-C 3.51Å; L39-R160 WeakPolarHBondContact O-CA 3.43Å; D40-R160 WeakPolarHBondContact O-CD 3.4Å; D40-R160 PolarHBondContact O-NH1 2.8Å; L41-R160 HydrophobicContact CD1-CB 4.03Å; C156-R160 CarbonylContact C-O 3.6Å; C156-R160 WeakPolarHBondContact CA-O 3.48Å; V157-R160 PolarHBondContact N-O 2.69Å; V157-R160 PolarHBondContact O-N 2.59Å; G158-R160 VanDerWaalsContact C-N 3.31Å
161H94.7Very high92.6Very high27 Ų2764.9 Ų64.913%0.12539%0.387CS..EExtended strand (participates in β ladder)trans-68.2137.2172.4-76.1-66.5000111.3C38 L39 D40 L41 R152 Y163C38-H161 VanDerWaalsContact CB-CE1 3.43Å; C38-H161 WeakPolarHBondContact CB-CE1 3.27Å; C38-H161 WeakPolarHBondContact CB-NE2 3.24Å; C38-H161 PolarHBondContact O-CD2 2.79Å; C38-H161 PolarHBondContact O-NE2 3.29Å; L39-H161 PolarHBondContact O-N 2.02Å; D40-H161 IonicContact OD1-CD2 3.12Å; L41-H161 WeakPolarHBondContact CD1-O 3.24Å; R152-H161 VanDerWaalsContact CD-CG 3.43Å; R152-H161 WeakPolarHBondContact CD-ND1 3.41Å; R152-H161 HydrophobicContact CG-CB 3.62Å; R152-H161 PolarHBondContact NE-CD2 3.21Å; R152-H161 PolarHBondContact NH1-NE2 3.06Å; H161-Y163 HydrophobicContact CB-CE2 4.07Å; H161-Y163 WeakPolarHBondContact O-CD2 3.31Å; H161-Y163 WeakPolarHBondContact O-CE2 3.48Å
162S94.1Very high92.5Very high34 Ų3461.2 Ų61.224%0.23838%0.378CS..EExtended strand (participates in β ladder)trans-85158166.841.40000111.4T153 S155T153-S162 WeakPolarHBondContact CB-O 3.45Å; T153-S162 PolarHBondContact N-O 2.88Å; T153-S162 WeakPolarHBondContact OG1-CB 3.24Å; T153-S162 PolarHBondContact OG1-O 3.39Å; T153-S162 PolarHBondContact OG1-OG 2.82Å; S155-S162 WeakPolarHBondContact CB-OG 3.13Å; S155-S162 PolarHBondContact O-N 2.72Å; S155-S162 PolarHBondContact O-OG 2.87Å; S155-S162 PolarHBondContact OG-OG 2.62Å
163Y95Very high92.4Very high30 Ų3058.7 Ų58.712%0.11837%0.37CS..EExtended strand (participates in β ladder)trans-128.4149.9-177.5-69-104000111.1D40 L41 L46 L150 R151 R152 H161D40-Y163 WeakPolarHBondContact CB-OH 3.47Å; D40-Y163 VanDerWaalsContact CG-OH 3.28Å; D40-Y163 PolarHBondContact OD1-OH 2.83Å; L41-Y163 HydrophobicContact CB-CE2 4.26Å; L41-Y163 HydrophobicContact CD1-CD2 4.1Å; L41-Y163 HydrophobicContact CD1-CE2 3.97Å; L46-Y163 HydrophobicContact CD2-CD1 4.08Å; L46-Y163 HydrophobicContact CD2-CD2 3.87Å; L46-Y163 HydrophobicContact CD2-CE1 4Å; L46-Y163 HydrophobicContact CD2-CE2 3.82Å; L46-Y163 HydrophobicContact CD2-CG 4Å; L150-Y163 HydrophobicContact CB-CD1 4.01Å; R151-Y163 CarbonylContact O-C 3.58Å; R151-Y163 VanDerWaalsContact O-CA 3.28Å; R151-Y163 WeakPolarHBondContact O-CA 3.37Å; R152-Y163 HydrophobicContact CB-CD1 4.45Å; R152-Y163 HydrophobicContact CB-CE1 4.14Å; H161-Y163 HydrophobicContact CB-CE2 4.07Å; H161-Y163 WeakPolarHBondContact O-CD2 3.31Å; H161-Y163 WeakPolarHBondContact O-CE2 3.48Å
164T94.8Very high92.7Very high69 Ų6957.4 Ų57.442%0.42336%0.363SS..EExtended strand (participates in β ladder)trans-126145.8171.7-171.60000109.6L150 R151 T153 I166L150-T164 CarbonylContact C-O 3.58Å; L150-T164 WeakPolarHBondContact CA-O 3.35Å; R151-T164 HydrophobicContact CB-CG2 4.4Å; R151-T164 PolarHBondContact N-O 3.49Å; R151-T164 PolarHBondContact O-N 3.42Å; T153-T164 HydrophobicContact CG2-CG2 4.02Å; T164-I166 HydrophobicContact CG2-CG2 4.37Å
165E93.4Very high93.1Very high100 Ų10056 Ų5647%0.46734%0.336SS..EExtended strand (participates in β ladder)trans-74.7139.4171.464-172.9-147.600110.9L53 V148 I149 L150L53-E165 HydrophobicContact CD1-CB 3.7Å; L53-E165 WeakPolarHBondContact CD1-OE2 3.34Å; L53-E165 WeakPolarHBondContact CD2-OE2 3.19Å; V148-E165 HydrophobicContact CG2-CB 4.29Å; I149-E165 WeakPolarHBondContact O-CA 3.46Å; L150-E165 HydrophobicContact CD2-CB 4.43Å
166I93.4Very high93.5Very high51 Ų5154.5 Ų54.526%0.26233%0.325SS..EExtended strand (participates in β ladder)trans-142.9155.9167.862.4170.2000109.9V148 I149 R151 T164 V168V148-I166 CarbonylContact C-O 3.53Å; V148-I166 WeakPolarHBondContact CA-O 3.47Å; I149-I166 HydrophobicContact CD1-CD1 3.91Å; I149-I166 HydrophobicContact CD1-CG1 3.9Å; I149-I166 HydrophobicContact CG1-CD1 4.08Å; I149-I166 HydrophobicContact CG1-CG1 3.48Å; I149-I166 VanDerWaalsContact CG1-CG1 3.48Å; I149-I166 PolarHBondContact N-O 3.33Å; I149-I166 PolarHBondContact O-N 3.43Å; R151-I166 HydrophobicContact CB-CD1 3.99Å; R151-I166 HydrophobicContact CB-CG1 4.17Å; R151-I166 HydrophobicContact CG-CD1 4.43Å; T164-I166 HydrophobicContact CG2-CG2 4.37Å; I166-V168 HydrophobicContact CD1-CG1 4.23Å; I166-V168 HydrophobicContact CG1-CG1 4.46Å
167Y92.4Very high93.7Very high154 Ų15453.8 Ų53.860%0.60432%0.319SS*.EExtended strand (participates in β ladder)trans-97.3133.6172-71.5-92.3000110.6P146 S147 V148P146-Y167 HydrophobicContact CB-CD1 4.42Å; S147-Y167 WeakPolarHBondContact O-CA 3.48Å; V148-Y167 HydrophobicContact CB-CD1 4.37Å; V148-Y167 HydrophobicContact CB-CE1 4.09Å
168V92.3Very high93.9Very high44 Ų4452.9 Ų52.927%0.26732%0.316SS..EExtended strand (participates in β ladder)trans-122.5150.9175.1-64.70000110.2S147 I149 I166 V170S147-V168 PolarHBondContact N-O 3.47Å; S147-V168 WeakPolarHBondContact O-CG2 3.2Å; S147-V168 PolarHBondContact O-N 3.25Å; I149-V168 HydrophobicContact CD1-CG1 3.6Å; I149-V168 HydrophobicContact CD1-CG2 4.22Å; I149-V168 HydrophobicContact CG1-CG1 4Å; I149-V168 HydrophobicContact CG1-CG2 4.24Å; I149-V168 HydrophobicContact CG2-CG2 3.82Å; I166-V168 HydrophobicContact CD1-CG1 4.23Å; I166-V168 HydrophobicContact CG1-CG1 4.46Å; V168-V170 HydrophobicContact CG2-CG2 4Å
169S93.2Very high93.9Very high81 Ų8151 Ų5157%0.56629%0.286SS*.EExtended strand (participates in β ladder)trans-89.3116.1176.6-173.20000109.4F144F144-S169 VanDerWaalsContact CB-OG 3.3Å; F144-S169 WeakPolarHBondContact CB-OG 3.45Å; F144-S169 VanDerWaalsContact CD1-OG 3.29Å; F144-S169 WeakPolarHBondContact CD1-OG 3.5Å; F144-S169 WeakPolarHBondContact CG-OG 3.36Å
170V92.8Very high93.5Very high3 Ų355.4 Ų55.42%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-114.5129.6-178.4-1800000109.2F61 I116 E118 F144 A145 V168 V172F61-V170 HydrophobicContact CE1-CG1 4.34Å; I116-V170 HydrophobicContact CG2-CG1 3.75Å; I116-V170 HydrophobicContact CG2-CG2 3.92Å; E118-V170 HydrophobicContact CG-CG1 4.28Å; F144-V170 WeakPolarHBondContact CA-O 3.44Å; A145-V170 PolarHBondContact N-O 3.44Å; A145-V170 PolarHBondContact O-N 2.99Å; V168-V170 HydrophobicContact CG2-CG2 4Å; V170-V172 PolarHBondContact O-N 2.93Å
171A95.3Very high92.1Very high6 Ų657.1 Ų57.15%0.0531%0.309CS..EExtended strand (participates in β ladder)trans-70.6119.217300000109.6A119 P142 V143 F144A119-A171 HydrophobicContact CB-CB 4.22Å; A119-A171 WeakPolarHBondContact CB-O 3.39Å; A119-A171 PolarHBondContact N-O 2.87Å; A119-A171 WeakPolarHBondContact O-CB 3.26Å; P142-A171 HydrophobicContact CB-CB 4.26Å; V143-A171 CarbonylContact O-C 3.47Å; V143-A171 WeakPolarHBondContact O-CA 3.4Å; F144-A171 HydrophobicContact CD1-CB 4.12Å; F144-A171 HydrophobicContact CE1-CB 3.91Å
172V93.3Very high90.6Very high45 Ų4564.9 Ų64.927%0.27334%0.342SS..EExtended strand (participates in β ladder)trans-101.6-20.1-176.1-66.90000113.4F61 Y103 V143 A145 V170F61-V172 HydrophobicContact CE1-CG1 4.11Å; F61-V172 HydrophobicContact CZ-CG1 3.79Å; Y103-V172 PolarHBondContact OH-O 3.3Å; V143-V172 HydrophobicContact CB-CG2 4.48Å; V143-V172 HydrophobicContact CG1-CG2 4.3Å; V143-V172 WeakPolarHBondContact O-CG2 3.33Å; V143-V172 PolarHBondContact O-N 3.31Å; A145-V172 HydrophobicContact CB-CG1 3.72Å; A145-V172 HydrophobicContact CB-CG2 4.2Å; V170-V172 PolarHBondContact O-N 2.93Å
173G94.5Very high88.8Confident6 Ų666.9 Ų66.96%0.06235%0.348CS..EExtended strand (participates in β ladder)trans-174.4-167.9177.400000111.6P142 V143P142-G173 CarbonylContact C-O 3.53Å; P142-G173 WeakPolarHBondContact CA-O 3.37Å; V143-G173 PolarHBondContact N-O 3.28Å
174C96.4Very high87Confident10 Ų1071.7 Ų71.77%0.06837%0.366CS..EExtended strand (participates in β ladder)trans-123.3151.6172.7-66.60000111S99 W101 C121 A141S99-C174 WeakPolarHBondContact O-CB 3.22Å; S99-C174 PolarHBondContact OG-O 2.93Å; W101-C174 HydrophobicContact CB-CB 4.1Å; W101-C174 HydrophobicContact CE3-CB 4.16Å; C121-C174 WeakPolarHBondContact CA-SG 3.45Å; C121-C174 HydrophobicContact CB-CB 4Å; C121-C174 WeakPolarHBondContact CB-SG 3.46Å; C121-C174 PolarHBondContact N-SG 2.83Å; C121-C174 WeakPolarHBondContact SG-CB 3.44Å; C121-C174 CovalentContact SG-SG 2.04Å; C121-C174 PolarHBondContact SG-SG 3.42Å; A141-C174 CarbonylContact O-C 3.56Å; A141-C174 VanDerWaalsContact O-CA 3.3Å; A141-C174 WeakPolarHBondContact O-CA 3.47Å
175T97.1Very high85.3Confident62 Ų6273.8 Ų73.838%0.3838%0.375SS..EExtended strand (participates in β ladder)trans-129.1162.8174.8-168.60000110.5S99 S140 A141 V143 V177S99-T175 VanDerWaalsContact OG-CA 3.27Å; S99-T175 WeakPolarHBondContact OG-CA 3.49Å; S99-T175 PolarHBondContact OG-N 3.17Å; S140-T175 CarbonylContact C-O 3.54Å; S140-T175 WeakPolarHBondContact CA-O 3.28Å; A141-T175 PolarHBondContact N-O 2.85Å; A141-T175 PolarHBondContact O-N 3.37Å; V143-T175 HydrophobicContact CG2-CG2 3.53Å; T175-V177 HydrophobicContact CG2-CG1 4.1Å
176C95.9Very high83.6Confident29 Ų2971 Ų7120%0.19637%0.372CS..EExtended strand (participates in β ladder)trans-100.4124.4178.1-173.10000110.4I98 S99 C126 Y138I98-C176 HydrophobicContact CD1-CB 3.66Å; I98-C176 HydrophobicContact CG1-CB 4.13Å; S99-C176 PolarHBondContact OG-N 2.83Å; C126-C176 HydrophobicContact CB-CB 3.96Å; C126-C176 WeakPolarHBondContact CB-SG 3.33Å; C126-C176 WeakPolarHBondContact SG-CA 3.34Å; C126-C176 WeakPolarHBondContact SG-CB 3.3Å; C126-C176 CovalentContact SG-SG 2.02Å; C126-C176 PolarHBondContact SG-SG 2.91Å; Y138-C176 VanDerWaalsContact CB-SG 3.56Å
177V95.8Very high81.9Confident42 Ų4274.6 Ų74.626%0.25539%0.388SS..EExtended strand (participates in β ladder)trans-126.5148.9177.8-59.60000111.1Y138 R139 A141 T175Y138-V177 CarbonylContact C-O 3.42Å; Y138-V177 VanDerWaalsContact CA-O 3.24Å; Y138-V177 WeakPolarHBondContact CA-O 3.41Å; Y138-V177 WeakPolarHBondContact CB-O 3.41Å; R139-V177 HydrophobicContact CG-CG2 3.5Å; R139-V177 PolarHBondContact N-O 2.69Å; R139-V177 PolarHBondContact O-N 3.4Å; A141-V177 HydrophobicContact CB-CG2 4.04Å; T175-V177 HydrophobicContact CG2-CG1 4.1Å
178P94.2Very high80.1Confident88 Ų8870.9 Ų70.957%0.57138%0.384SS*.EExtended strand (participates in β ladder)trans-60143.7172.5-21.433000111.8Y138Y138-P178 HydrophobicContact CD1-CG 4.42Å; Y138-P178 HydrophobicContact CE1-CG 4.27Å
179L88.8Confident78.2Confident45 Ų4572.4 Ų72.424%0.23640%0.397CS..PPolyproline II helixtrans-74.3123.4170.7-82.4161.2000109.8Q136 Q137 R139 E183Q136-L179 WeakPolarHBondContact O-CD1 3.32Å; Q137-L179 PolarHBondContact O-N 2.68Å; R139-L179 HydrophobicContact CB-CD2 3.94Å; R139-L179 HydrophobicContact CB-CG 4.2Å; R139-L179 HydrophobicContact CG-CD2 4.07Å; R139-L179 HydrophobicContact CG-CG 4.43Å; L179-E183 HydrophobicContact CD2-CB 4.49Å
180M80.9Confident76.2Confident133 Ų13375 Ų7566%0.65541%0.405SS*.PPolyproline II helixtrans-78.7148.9177-61.9-176.672.400110.5K182 E183M180-K182 VanDerWaalsContact C-N 3.29Å; M180-K182 PolarHBondContact O-N 2.93Å; M180-E183 PolarHBondContact O-N 3.43Å
181E66.9Low74.1Confident140 Ų14083.6 Ų83.665%0.65444%0.442SS*.Hα-helixtrans-51.1-43.2-177.2-94.1171.3177.200114.6E183 R184E181-E183 PolarHBondContact O-N 3.43Å; E181-R184 WeakPolarHBondContact O-CB 3.34Å; E181-R184 PolarHBondContact O-N 3.14Å; E181-R184 IonicContact OE1-NH2 2.86Å; E181-R184 PolarHBondContact OE1-NH2 3.13Å
182K61.5Low71.9Confident191 Ų19187.8 Ų87.883%0.8347%0.471SS*.Hα-helixtrans-61.2-25.8-179.8-169.7175.9178.51790113.9M180M180-K182 VanDerWaalsContact C-N 3.29Å; M180-K182 PolarHBondContact O-N 2.93Å
183E57.8Low69.8Low75 Ų7592 Ų9235%0.3550%0.496SS..Hα-helixtrans-81.2-22.1177.6-66.9173.716500111.8R139 L179 M180 E181 Q187R139-E183 IonicContact CZ-OE1 3.77Å; R139-E183 IonicContact NE-OE1 3.02Å; R139-E183 PolarHBondContact NE-OE1 2.89Å; R139-E183 IonicContact NE-OE2 2.99Å; R139-E183 PolarHBondContact NE-OE2 3.42Å; R139-E183 VanDerWaalsContact NE-OE2 3.11Å; R139-E183 IonicContact NH2-OE1 2.6Å; R139-E183 PolarHBondContact NH2-OE1 3.36Å; L179-E183 HydrophobicContact CD2-CB 4.49Å; M180-E183 PolarHBondContact O-N 3.43Å; E181-E183 PolarHBondContact O-N 3.43Å; E183-Q187 PolarHBondContact O-N 3.4Å
184R57.3Low67.4Low132 Ų132101 Ų10150%0.49854%0.537SS..Hα-helixtrans-69.4-38.6179.9-58.2-163.7-81.2-147.89.9112.1E181 S188E181-R184 WeakPolarHBondContact O-CB 3.34Å; E181-R184 PolarHBondContact O-N 3.14Å; E181-R184 IonicContact OE1-NH2 2.86Å; E181-R184 PolarHBondContact OE1-NH2 3.13Å; R184-S188 PolarHBondContact O-N 3.44Å
185D58.2Low64.6Low113 Ų113104.7 Ų104.760%0.60458%0.576SS**Hα-helixtrans-74.7-34.2-176.6-61.4-24.1000112.8S189D185-S189 PolarHBondContact O-N 3.34Å; D185-S189 VanDerWaalsContact O-N 3.13Å; D185-S189 PolarHBondContact O-OG 2.94Å
186G58.6Low61.4Low40 Ų40105.4 Ų105.441%0.41260%0.596SS.*Hα-helixtrans-70.2-33.517600000113.4
187Q56.8Low58.6Low127 Ų127113.8 Ų113.859%0.59363%0.629SS**Hα-helixtrans-75-30.8177.1-160.878.144.200112.2E183E183-Q187 PolarHBondContact O-N 3.4Å
188S54.1Low55.6Low76 Ų76117.8 Ų117.853%0.53166%0.656SS.*Hα-helixtrans-70.6-42.8174.9-172.30000111.7R184 N190 K191 S192R184-S188 PolarHBondContact O-N 3.44Å; S188-N190 VanDerWaalsContact C-N 3.27Å; S188-N190 PolarHBondContact O-N 3.13Å; S188-K191 PolarHBondContact O-N 3.4Å; S188-K191 VanDerWaalsContact O-N 3.15Å; S188-S192 PolarHBondContact O-OG 3.48Å
189S53.3Low52.8Low76 Ų76123.5 Ų123.553%0.53167%0.672SS.*Hα-helixtrans-63.9-28.7-177.9-580000113.8D185D185-S189 PolarHBondContact O-N 3.34Å; D185-S189 VanDerWaalsContact O-N 3.13Å; D185-S189 PolarHBondContact O-OG 2.94Å
190N50.7Low50.1Low136 Ų136128.1 Ų128.173%0.72770%0.702SS**THydrogen-bonded Turntrans-83-10.2178.6-73.4-17.6000114.4S188S188-N190 VanDerWaalsContact C-N 3.27Å; S188-N190 PolarHBondContact O-N 3.13Å
191K49.7Very low47.9Very low183 Ų183133.2 Ų133.280%0.79671%0.714SS**THydrogen-bonded Turntrans-88.8-6176.2-81-170.5174.1-176.60113.7S188S188-K191 PolarHBondContact O-N 3.4Å; S188-K191 VanDerWaalsContact O-N 3.15Å
192S48.8Very low46.3Very low95 Ų95135.7 Ų135.766%0.66473%0.725SS**SBendtrans-104.24.7-167.4-51.50000114.7S188S188-S192 PolarHBondContact O-OG 3.48Å
193V47.7Very low45Very low133 Ų133135.4 Ų135.481%0.80673%0.729SS**  trans-119.860.7-179.5-1660000110.6
194E44.7Very low43.8Very low196 Ų196141.2 Ų141.292%0.91675%0.754SS**SBendtrans-152.496.8157.7-133174.3-171.800109.5
195G38.2Very low42.8Very low86 Ų86138.9 Ų138.989%0.88776%0.758SS**  trans146.791.3168.100000115.2
196G30.1Very low41.6Very low77 Ų77140.5 Ų140.579%0.79477%0.772SS**  trans173.372.7165.200000115.2
197K36.7Very low40.5Very low206 Ų206142.1 Ų142.190%0.89679%0.788SS**PPolyproline II helixtrans-71.1135161.1-97.9178.1177.2174.80109.3
198P33.4Very low39.5Very low126 Ų126146.2 Ų146.282%0.81880%0.804SS**PPolyproline II helixtrans-76.8126.217828.9-31.1000111.3
199K33.9Very low38.7Very low208 Ų208152.6 Ų152.690%0.90482%0.822SS**PPolyproline II helixtrans-85.5122.7169.1-92.4-178.1175.6176.30110.1
200T33.9Very low37.7Very low141 Ų141158 Ų15887%0.86586%0.861SS**PPolyproline II helixtrans-56.8129.3169.2-43.60000111.3
201R33Very low37.1Very low240 Ų240159.2 Ų159.291%0.90687%0.867SS**  trans-89.9112.2173.4-115.8179.1178.7-178.7-0.2109.4
202Q34.5Very low36.4Very low193 Ų193157.9 Ų157.990%0.90287%0.871SS**  trans-81.3127.5159.7-90.4174.6-27.700108.6
203M33.9Very low35.7Very low185 Ų185161.4 Ų161.491%0.91188%0.882SS**  trans-99.5126.9164.1-81.9-170.972.500108.5
204F32.6Very low35Very low197 Ų197163.1 Ų163.186%0.86489%0.887SS**  trans-111.3147.5166.1-156.1-98000110.2
205S35.5Very low34.4Very low83 Ų83161 Ų16158%0.5889%0.885SS**  trans-63.5154.9-166.358.30000116.5
206T34.5Very low34.1Very low147 Ų147166 Ų16690%0.90289%0.885SS**  trans-133.9112.2147.849.60000110
207G33.8Very low34.4Very low74 Ų74172.4 Ų172.476%0.76389%0.892SS**  trans-100.6135.4159.400000109.5
208K36.8Very low34.3Very low213 Ų213169.8 Ų169.893%0.92689%0.891SS**  trans-155.3123.4154.4-139.3163.3-175.1174.20110.6
209K37.2Very low34.3Very low209 Ų209173.4 Ų173.491%0.90990%0.897SS**  trans-68142.7173-68.9171.8171.91790110.7
210S32.5Very low34.4Very low191 Ų191170.3 Ų170.3100%1.33690%0.897SS**  -1630120.9-167.60000109.6

Retrieved 210 of 210 residues in 152 ms (Link to these results)