A0A087XUS7_POEFO Loading...

Nerve growth factor receptor

AlphaFold DB , UniProt , Accession A0A087XUS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 364 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
1M53.7Low59.7Low235 Ų235114.7 Ų114.7100%1.15866%0.66SS**  074.60-69.3174.5160.100109
2T54.5Low60Low137 Ų137108.9 Ų108.984%0.8464%0.636SS**  trans-151.715.4-174.744.90000114.7
3A54.2Low60.3Low78 Ų78109 Ų10965%0.64563%0.632SS**SBendtrans-112.3-4.3-177.300000114.8
4T56.4Low60.4Low105 Ų105104.7 Ų104.764%0.64462%0.616SS**Hα-helixtrans-92.4-29.7-175.951.40000113.7V8T4-V8 WeakPolarHBondContact O-CG2 3.32Å; T4-V8 PolarHBondContact O-N 3.3Å
5L55.8Low60.4Low129 Ų129103.7 Ų103.768%0.67561%0.611SS**Hα-helixtrans-60.1-46.3174.2-108.487000114.5L7 V8 I9L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.81Å; L5-V8 PolarHBondContact O-N 2.81Å; L5-I9 WeakPolarHBondContact O-CG1 3.38Å; L5-I9 PolarHBondContact O-N 3.4Å
6P58.5Low60.2Low69 Ų69104.7 Ų104.745%0.44861%0.612SS.*Hα-helixtrans-68.9-31.7-176.425.3-33.3000112.4L10P6-L10 WeakPolarHBondContact O-CB 3.47Å; P6-L10 PolarHBondContact O-N 3.48Å
7L61.2Low60Low118 Ų118102.4 Ų102.462%0.61861%0.608SS**Hα-helixtrans-69.6-39.3-179.9-15790.7000111.9L5 L10 C11L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.81Å; L7-L10 PolarHBondContact O-N 2.96Å; L7-C11 WeakPolarHBondContact O-CB 3.2Å; L7-C11 PolarHBondContact O-N 3.45Å; L7-C11 PolarHBondContact O-SG 2.9Å; L7-C11 VanDerWaalsContact O-SG 3.36Å
8V67.7Low59.6Low102 Ų102105.2 Ų105.262%0.61862%0.618SS**Hα-helixtrans-69.7-37.2178.5176.90000111T4 L5 C11 A12T4-V8 WeakPolarHBondContact O-CG2 3.32Å; T4-V8 PolarHBondContact O-N 3.3Å; L5-V8 PolarHBondContact O-N 2.81Å; V8-C11 PolarHBondContact O-N 2.81Å; V8-A12 WeakPolarHBondContact O-CB 3.37Å; V8-A12 PolarHBondContact O-N 2.02Å
9I67.6Low59.1Low95 Ų95103.7 Ų103.749%0.48762%0.62SS.*Hα-helixtrans-67-42.4175.3-64.2166.9000110.6L5 C11 A12 L13L5-I9 WeakPolarHBondContact O-CG1 3.38Å; L5-I9 PolarHBondContact O-N 3.4Å; I9-C11 PolarHBondContact O-N 2.68Å; I9-A12 PolarHBondContact O-N 2.81Å; I9-L13 HydrophobicContact CG2-CD1 3.92Å; I9-L13 HydrophobicContact CG2-CG 4.37Å; I9-L13 WeakPolarHBondContact O-CB 3.49Å; I9-L13 VanDerWaalsContact O-CG 3.28Å; I9-L13 WeakPolarHBondContact O-CG 3.17Å; I9-L13 PolarHBondContact O-N 3.33Å
10L64.4Low58.8Low118 Ų118102.5 Ų102.562%0.61862%0.616SS**Hα-helixtrans-61.4-42.6174.3-100.2143.7000112.3P6 L7 A14P6-L10 WeakPolarHBondContact O-CB 3.47Å; P6-L10 PolarHBondContact O-N 3.48Å; L7-L10 PolarHBondContact O-N 2.96Å; L10-A14 VanDerWaalsContact O-CB 3.3Å; L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.32Å
11C63.1Low58.4Low76 Ų76106 Ų10651%0.51462%0.623SS.*Hα-helixtrans-66.5-39175.7-73.30000112.3L7 V8 I9 A14 T15L7-C11 WeakPolarHBondContact O-CB 3.2Å; L7-C11 PolarHBondContact O-N 3.45Å; L7-C11 PolarHBondContact O-SG 2.9Å; L7-C11 VanDerWaalsContact O-SG 3.36Å; V8-C11 PolarHBondContact O-N 2.81Å; I9-C11 PolarHBondContact O-N 2.68Å; C11-A14 PolarHBondContact O-N 3.28Å; C11-T15 WeakPolarHBondContact O-CG2 3.05Å; C11-T15 PolarHBondContact O-N 3.17Å; C11-T15 PolarHBondContact O-OG1 2.99Å
12A63.3Low58.3Low45 Ų45100.7 Ų100.737%0.37260%0.604SS.*Hα-helixtrans-68.8-37.4177.300000112.7V8 I9 T15 L16V8-A12 WeakPolarHBondContact O-CB 3.37Å; V8-A12 PolarHBondContact O-N 2.02Å; I9-A12 PolarHBondContact O-N 2.81Å; A12-T15 WeakPolarHBondContact CA-OG1 3.5Å; A12-T15 PolarHBondContact O-N 3.32Å; A12-T15 PolarHBondContact O-OG1 3.45Å; A12-L16 WeakPolarHBondContact O-CB 3.11Å; A12-L16 WeakPolarHBondContact O-CD1 3.5Å; A12-L16 WeakPolarHBondContact O-CG 3.46Å; A12-L16 PolarHBondContact O-N 2.9Å
13L63.8Low58.2Low110 Ų110102 Ų10258%0.57660%0.601SS**Hα-helixtrans-70.6-35.2174.3-68.8173.1000111.7I9 L16 A17I9-L13 HydrophobicContact CG2-CD1 3.92Å; I9-L13 HydrophobicContact CG2-CG 4.37Å; I9-L13 WeakPolarHBondContact O-CB 3.49Å; I9-L13 VanDerWaalsContact O-CG 3.28Å; I9-L13 WeakPolarHBondContact O-CG 3.17Å; I9-L13 PolarHBondContact O-N 3.33Å; L13-L16 PolarHBondContact O-N 2.93Å; L13-A17 WeakPolarHBondContact O-CB 2.95Å; L13-A17 PolarHBondContact O-N 3.42Å
14A60.9Low58Low49 Ų49109.6 Ų109.641%0.40561%0.613SS.*Hα-helixtrans-66.1-39.617400000112L10 C11 A17 L18L10-A14 VanDerWaalsContact O-CB 3.3Å; L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.32Å; C11-A14 PolarHBondContact O-N 3.28Å; A14-A17 PolarHBondContact O-N 2.86Å; A14-L18 WeakPolarHBondContact O-CD1 3.28Å; A14-L18 WeakPolarHBondContact O-CG 3.48Å; A14-L18 PolarHBondContact O-N 2.79Å; A14-L18 VanDerWaalsContact O-N 3.12Å
15T60.2Low57.9Low90 Ų90108.8 Ų108.855%0.55262%0.617SS**Hα-helixtrans-71.3-34.6175.755.60000112.6C11 A12 L18 A19C11-T15 WeakPolarHBondContact O-CG2 3.05Å; C11-T15 PolarHBondContact O-N 3.17Å; C11-T15 PolarHBondContact O-OG1 2.99Å; A12-T15 WeakPolarHBondContact CA-OG1 3.5Å; A12-T15 PolarHBondContact O-N 3.32Å; A12-T15 PolarHBondContact O-OG1 3.45Å; T15-L18 PolarHBondContact O-N 2.86Å; T15-A19 WeakPolarHBondContact O-CB 3.39Å; T15-A19 PolarHBondContact O-N 3.21Å; T15-A19 VanDerWaalsContact O-N 3.11Å
16L57.5Low57.7Low119 Ų119109.8 Ų109.862%0.62362%0.622SS**Hα-helixtrans-65.5-38.1171.3-85155.4000112.5A12 L13 A19A12-L16 WeakPolarHBondContact O-CB 3.11Å; A12-L16 WeakPolarHBondContact O-CD1 3.5Å; A12-L16 WeakPolarHBondContact O-CG 3.46Å; A12-L16 PolarHBondContact O-N 2.9Å; L13-L16 PolarHBondContact O-N 2.93Å; L16-A19 PolarHBondContact O-N 2.05Å
17A57Low57.8Low65 Ų65112.9 Ų112.954%0.53764%0.635SS.*Hα-helixtrans-66.7-37.617600000112.2L13 A14 S20L13-A17 WeakPolarHBondContact O-CB 2.95Å; L13-A17 PolarHBondContact O-N 3.42Å; A14-A17 PolarHBondContact O-N 2.86Å; A17-S20 PolarHBondContact O-OG 2.95Å
18L52.8Low58.2Low153 Ų153111.1 Ų111.180%0.80163%0.629SS**Hα-helixtrans-77-18.2178.6-73.1158000113.8A14 T15A14-L18 WeakPolarHBondContact O-CD1 3.28Å; A14-L18 WeakPolarHBondContact O-CG 3.48Å; A14-L18 PolarHBondContact O-N 2.79Å; A14-L18 VanDerWaalsContact O-N 3.12Å; T15-L18 PolarHBondContact O-N 2.86Å
19A51Low58.9Low78 Ų78114.1 Ų114.165%0.64564%0.636SS**THydrogen-bonded Turntrans-87.1-4.6176.300000113.7T15 L16 K21T15-A19 WeakPolarHBondContact O-CB 3.39Å; T15-A19 PolarHBondContact O-N 3.21Å; T15-A19 VanDerWaalsContact O-N 3.11Å; L16-A19 PolarHBondContact O-N 2.05Å; A19-K21 PolarHBondContact O-N 2.89Å
20S52.3Low59.9Low78 Ų78110.5 Ų110.555%0.54562%0.619SS.*  trans-7671.8173.267.70000110.6A17 T22A17-S20 PolarHBondContact O-OG 2.95Å; S20-T22 PolarHBondContact O-N 2.03Å
21K49.7Very low60.9Low177 Ų177111.7 Ų111.777%0.7763%0.626SS**  trans-65.882.8163.4-166.4178.6-176.8-1700107A19 E23A19-K21 PolarHBondContact O-N 2.89Å; K21-E23 PolarHBondContact O-N 2.93Å
22T51.6Low62Low123 Ų123108.7 Ų108.776%0.75561%0.606SS**  trans-67.892167.335.90000106.3S20 R24S20-T22 PolarHBondContact O-N 2.03Å; T22-R24 PolarHBondContact O-N 2.91Å
23E52.8Low63.2Low164 Ų164109.3 Ų109.377%0.76662%0.617SS**  trans-59.891.1158.1-76.8176.2144.200106.2K21 A25K21-E23 PolarHBondContact O-N 2.93Å; E23-A25 PolarHBondContact O-N 2.69Å
24R50.6Low64.4Low238 Ų238108.6 Ų108.690%0.89861%0.611SS**  trans-60.997.8158.5-101.7-179.9167.2151.9-3.9105T22 L26T22-R24 PolarHBondContact O-N 2.91Å; R24-L26 PolarHBondContact O-N 3.16Å; R24-L26 VanDerWaalsContact O-N 3.1Å
25A54Low65.9Low89 Ų89111 Ų11174%0.73661%0.612SS**  trans-48.4120.5156.600000105.8E23 N27E23-A25 PolarHBondContact O-N 2.69Å; A25-N27 PolarHBondContact O-N 3.19Å
26L51.8Low67.4Low149 Ų149107 Ų10778%0.7859%0.588SS**  trans-61.195.7172.5-179.5120.6000105.5R24 V28R24-L26 PolarHBondContact O-N 3.16Å; R24-L26 VanDerWaalsContact O-N 3.1Å; L26-V28 VanDerWaalsContact C-N 3.32Å; L26-V28 HydrophobicContact CD2-CG2 3.69Å; L26-V28 PolarHBondContact O-N 3.35Å
27N60.8Low68.9Low135 Ų135107 Ų10772%0.72259%0.593SS**  trans-65.7102172.7-164.421.5000105A25 E29A25-N27 PolarHBondContact O-N 3.19Å; N27-E29 PolarHBondContact O-N 2.79Å
28V70.2Confident70.4Confident81 Ų81107.6 Ų107.649%0.49159%0.593SS.*  trans-65.1105.8171.7178.90000104.8L26 C30L26-V28 VanDerWaalsContact C-N 3.32Å; L26-V28 HydrophobicContact CD2-CG2 3.69Å; L26-V28 PolarHBondContact O-N 3.35Å; V28-C30 PolarHBondContact O-N 3.43Å; V28-C30 VanDerWaalsContact O-N 3.14Å
29E82.6Confident72.1Confident164 Ų164102.9 Ų102.977%0.76658%0.582SS**  trans-55.1119.3171.3-159.782-129.200106.9N27N27-E29 PolarHBondContact O-N 2.79Å
30C87.1Confident74Confident19 Ų19104.5 Ų104.513%0.12858%0.576CS.*  trans-123.7107.2-175.8177.40000107.6V28 S32 G33 Q34 F35 C41V28-C30 PolarHBondContact O-N 3.43Å; V28-C30 VanDerWaalsContact O-N 3.14Å; C30-S32 PolarHBondContact O-N 3.17Å; C30-S32 PolarHBondContact SG-OG 3.35Å; C30-G33 PolarHBondContact O-N 3.42Å; C30-Q34 PolarHBondContact SG-O 2.93Å; C30-F35 HydrophobicContact CB-CE1 3.84Å; C30-F35 HydrophobicContact CB-CE2 4.22Å; C30-F35 HydrophobicContact CB-CZ 3.47Å; C30-F35 VanDerWaalsContact CB-CZ 3.47Å; C30-C41 WeakPolarHBondContact CA-SG 3.39Å; C30-C41 HydrophobicContact CB-CB 3.9Å; C30-C41 WeakPolarHBondContact CB-SG 3.43Å; C30-C41 WeakPolarHBondContact SG-CB 3.24Å; C30-C41 CovalentContact SG-SG 2.04Å; C30-C41 PolarHBondContact SG-SG 3.17Å
31D85.6Confident75.9Confident143 Ų143102.8 Ų102.877%0.76556%0.563SS**THydrogen-bonded Turntrans-60.5-33.6-173.6-64-41.5000112.1G33D31-G33 VanDerWaalsContact C-N 3.33Å; D31-G33 PolarHBondContact O-N 3.27Å
32S86.8Confident78Confident13 Ų1394.5 Ų94.59%0.09153%0.528CS..THydrogen-bonded Turntrans-77.4-13.2177.257.70000114.6C30 Q34 C41 C42 H77C30-S32 PolarHBondContact O-N 3.17Å; C30-S32 PolarHBondContact SG-OG 3.35Å; S32-Q34 PolarHBondContact O-N 3.29Å; S32-C41 PolarHBondContact OG-SG 3.18Å; S32-C41 VanDerWaalsContact OG-SG 3.42Å; S32-C42 WeakPolarHBondContact CB-O 3.05Å; S32-C42 WeakPolarHBondContact OG-CB 3.09Å; S32-C42 PolarHBondContact OG-O 2.79Å; S32-H77 PolarHBondContact O-CE1 3.01Å
33G88.4Confident80Confident59 Ų5993.7 Ų93.761%0.60852%0.517SS*.SBendtrans63.77.7-17900000115.5C30 D31C30-G33 PolarHBondContact O-N 3.42Å; D31-G33 VanDerWaalsContact C-N 3.33Å; D31-G33 PolarHBondContact O-N 3.27Å
34Q88.9Confident82.1Confident94 Ų9488.9 Ų88.944%0.43949%0.494SS..  trans-129.2153.4180-70-174.119.100111.4C30 S32 C42 H77C30-Q34 PolarHBondContact SG-O 2.93Å; S32-Q34 PolarHBondContact O-N 3.29Å; Q34-C42 HydrophobicContact CB-CB 4.32Å; Q34-C42 VanDerWaalsContact CB-SG 3.58Å; Q34-C42 PolarHBondContact O-N 3.44Å; Q34-C42 PolarHBondContact O-SG 2.02Å; Q34-H77 PolarHBondContact NE2-NE2 2.93Å; Q34-H77 PolarHBondContact OE1-NE2 3.26Å
35F91.7Very high84.3Confident100 Ų10077.6 Ų77.644%0.43945%0.452SS..BIsolated β-bridgetrans-129.3150.8-178.8-61.5-92.1000110.6C30 E40 C41C30-F35 HydrophobicContact CB-CE1 3.84Å; C30-F35 HydrophobicContact CB-CE2 4.22Å; C30-F35 HydrophobicContact CB-CZ 3.47Å; C30-F35 VanDerWaalsContact CB-CZ 3.47Å; F35-E40 CarbonylContact C-O 3.49Å; F35-E40 WeakPolarHBondContact CA-O 3.04Å; F35-C41 HydrophobicContact CD1-CB 4.29Å; F35-C41 HydrophobicContact CE1-CB 4.14Å
36T92.3Very high86.3Confident7 Ų775.5 Ų75.54%0.04343%0.431CS..  trans-67.516716959.40000111.1S38 G39 E40 G56 Q59T36-S38 WeakPolarHBondContact CB-OG 3.01Å; T36-S38 PolarHBondContact O-N 2.84Å; T36-S38 VanDerWaalsContact O-N 3.17Å; T36-S38 PolarHBondContact OG1-N 3.42Å; T36-S38 PolarHBondContact OG1-OG 3.37Å; T36-G39 PolarHBondContact O-N 2.86Å; T36-G39 PolarHBondContact OG1-N 2.76Å; T36-E40 HydrophobicContact CG2-CB 4.47Å; T36-E40 PolarHBondContact N-O 3.05Å; T36-E40 WeakPolarHBondContact OG1-CB 3.41Å; T36-E40 PolarHBondContact OG1-N 3.06Å; T36-E40 PolarHBondContact OG1-O 3.07Å; T36-G56 CarbonylContact C-O 3.48Å; T36-G56 WeakPolarHBondContact CA-O 3.38Å; T36-G56 WeakPolarHBondContact CB-O 3.33Å; T36-Q59 HydrophobicContact CG2-CG 4.07Å
37T89.9Confident88.5Confident117 Ų11770.7 Ų70.772%0.71841%0.408SS*.THydrogen-bonded Turntrans-62-19.4169.157.90000113.2G39 G56 A57T37-G39 VanDerWaalsContact C-N 3.32Å; T37-G56 PolarHBondContact N-O 3.07Å; T37-A57 WeakPolarHBondContact OG1-CA 3.42Å
38S87.4Confident90.3Very high78 Ų7864.5 Ų64.555%0.54538%0.376SS..THydrogen-bonded Turntrans-80.9-7.5172.246.90000113.6T36 E40T36-S38 WeakPolarHBondContact CB-OG 3.01Å; T36-S38 PolarHBondContact O-N 2.84Å; T36-S38 VanDerWaalsContact O-N 3.17Å; T36-S38 PolarHBondContact OG1-N 3.42Å; T36-S38 PolarHBondContact OG1-OG 3.37Å; S38-E40 PolarHBondContact OG-OE2 2.9Å
39G87.8Confident91.6Very high55 Ų5563.5 Ų63.557%0.56737%0.366SS*.SBendtrans8515.1-178.700000114.5T36 T37T36-G39 PolarHBondContact O-N 2.86Å; T36-G39 PolarHBondContact OG1-N 2.76Å; T37-G39 VanDerWaalsContact C-N 3.32Å
40E91.1Very high92.3Very high111 Ų11155.8 Ų55.852%0.51933%0.331SS..PPolyproline II helixtrans-90.6141.5176.8-62.9167.4131.300109.9F35 T36 S38F35-E40 CarbonylContact C-O 3.49Å; F35-E40 WeakPolarHBondContact CA-O 3.04Å; T36-E40 HydrophobicContact CG2-CB 4.47Å; T36-E40 PolarHBondContact N-O 3.05Å; T36-E40 WeakPolarHBondContact OG1-CB 3.41Å; T36-E40 PolarHBondContact OG1-N 3.06Å; T36-E40 PolarHBondContact OG1-O 3.07Å; S38-E40 PolarHBondContact OG-OE2 2.9Å
41C92.4Very high92.8Very high42 Ų4255.1 Ų55.128%0.28433%0.326SS..BIsolated β-bridgetrans-62.2140.2176.9-179.20000110.2C30 S32 F35 M43 Q59C30-C41 WeakPolarHBondContact CA-SG 3.39Å; C30-C41 HydrophobicContact CB-CB 3.9Å; C30-C41 WeakPolarHBondContact CB-SG 3.43Å; C30-C41 WeakPolarHBondContact SG-CB 3.24Å; C30-C41 CovalentContact SG-SG 2.04Å; C30-C41 PolarHBondContact SG-SG 3.17Å; S32-C41 PolarHBondContact OG-SG 3.18Å; S32-C41 VanDerWaalsContact OG-SG 3.42Å; F35-C41 HydrophobicContact CD1-CB 4.29Å; F35-C41 HydrophobicContact CE1-CB 4.14Å; C41-M43 PolarHBondContact O-N 3.41Å; C41-Q59 PolarHBondContact O-NE2 3.48Å; C41-Q59 PolarHBondContact O-OE1 3.46Å
42C94.4Very high93.3Very high4 Ų452.7 Ų52.73%0.02732%0.316CS..PPolyproline II helixtrans-67.2125.7178-64.30000110.7S32 Q34 C55 H77S32-C42 WeakPolarHBondContact CB-O 3.05Å; S32-C42 WeakPolarHBondContact OG-CB 3.09Å; S32-C42 PolarHBondContact OG-O 2.79Å; Q34-C42 HydrophobicContact CB-CB 4.32Å; Q34-C42 VanDerWaalsContact CB-SG 3.58Å; Q34-C42 PolarHBondContact O-N 3.44Å; Q34-C42 PolarHBondContact O-SG 2.02Å; C42-C55 VanDerWaalsContact CA-SG 3.59Å; C42-C55 HydrophobicContact CB-CB 3.58Å; C42-C55 WeakPolarHBondContact CB-SG 3.26Å; C42-C55 WeakPolarHBondContact SG-CB 3.29Å; C42-C55 CovalentContact SG-SG 2.02Å; C42-C55 PolarHBondContact SG-SG 2.78Å; C42-H77 HydrophobicContact CB-CB 4.21Å
43M94Very high93.7Very high105 Ų10557.2 Ų57.252%0.51733%0.334SS..PPolyproline II helixtrans-66.5136.9170.6-75.7-177.3-57.500110.7C41 Q59 T60 H77C41-M43 PolarHBondContact O-N 3.41Å; M43-Q59 HydrophobicContact CE-CB 3.68Å; M43-Q59 HydrophobicContact CE-CG 3.99Å; M43-Q59 VanDerWaalsContact CG-OE1 3.28Å; M43-T60 WeakPolarHBondContact O-CB 3.03Å; M43-T60 PolarHBondContact O-OG1 3.01Å; M43-H77 VanDerWaalsContact O-CB 3.27Å; M43-H77 WeakPolarHBondContact O-CB 3.15Å
44E95.6Very high94Very high64 Ų6459.8 Ų59.830%0.29933%0.331SS..PPolyproline II helixtrans-95.3136.6173-61.9-174.7128.800109.9H77E44-H77 HydrophobicContact CG-CB 4.26Å
45C97.2Very high94.2Very high1 Ų156.2 Ų56.21%0.00732%0.315CS..BIsolated β-bridgetrans-71.4132.3170.7-57.30000109.1E49 V51 C62 Y75 S76C45-E49 HydrophobicContact CB-CB 4.22Å; C45-V51 HydrophobicContact CB-CG2 4.46Å; C45-V51 VanDerWaalsContact SG-CG2 3.52Å; C45-C62 WeakPolarHBondContact CA-SG 3.15Å; C45-C62 HydrophobicContact CB-CB 3.79Å; C45-C62 WeakPolarHBondContact CB-SG 3.21Å; C45-C62 VanDerWaalsContact SG-CA 3.55Å; C45-C62 WeakPolarHBondContact SG-CB 3.41Å; C45-C62 CovalentContact SG-SG 2.03Å; C45-C62 PolarHBondContact SG-SG 2.75Å; C45-Y75 VanDerWaalsContact O-CA 3.27Å; C45-Y75 WeakPolarHBondContact O-CA 3.27Å; C45-S76 WeakPolarHBondContact CB-O 3.46Å; C45-S76 PolarHBondContact N-O 3.46Å; C45-S76 PolarHBondContact O-N 3.42Å
46P97.2Very high94.2Very high44 Ų4452.8 Ų52.829%0.28631%0.308SS..PPolyproline II helixtrans-72.4164.7177.431.8-36.5000111.7G48 E49 Y75P46-G48 PolarHBondContact O-N 2.9Å; P46-E49 HydrophobicContact CG-CB 4.29Å; P46-E49 HydrophobicContact CG-CG 4.18Å; P46-E49 PolarHBondContact O-N 2.89Å; P46-E49 VanDerWaalsContact O-O 3.09Å; P46-Y75 HydrophobicContact CB-CD1 4.28Å; P46-Y75 HydrophobicContact CB-CE1 3.77Å
47P97.9Very high94.2Very high48 Ų4856.2 Ų56.231%0.31234%0.337SS..THydrogen-bonded Turntrans-54138.1169.1-23.533.8000111.2E49 S72 E73 Y75P47-E49 VanDerWaalsContact C-N 3.34Å; P47-S72 CarbonylContact C-O 3.59Å; P47-S72 WeakPolarHBondContact CA-O 3.27Å; P47-S72 WeakPolarHBondContact CB-O 3.4Å; P47-E73 VanDerWaalsContact CG-O 3.28Å; P47-E73 WeakPolarHBondContact CG-O 3.07Å; P47-Y75 HydrophobicContact CG-CD2 4.24Å; P47-Y75 HydrophobicContact CG-CE2 4.03Å
48G97.3Very high94.3Very high5 Ų553.6 Ų53.65%0.05232%0.321CS..THydrogen-bonded Turntrans93.9-18.1-167.500000114.3P46 C65 S72 D99P46-G48 PolarHBondContact O-N 2.9Å; G48-C65 PolarHBondContact O-N 2.93Å; G48-S72 PolarHBondContact N-O 2.93Å; G48-D99 VanDerWaalsContact CA-O 3.27Å; G48-D99 WeakPolarHBondContact CA-O 3.25Å
49E98.2Very high94.6Very high61 Ų6152 Ų5229%0.28531%0.305SS..EExtended strand (participates in β ladder)trans-123.3143.6177.5-59.9-172.3178.100111.9C45 P46 P47 C62 A63 Q64 S72C45-E49 HydrophobicContact CB-CB 4.22Å; P46-E49 HydrophobicContact CG-CB 4.29Å; P46-E49 HydrophobicContact CG-CG 4.18Å; P46-E49 PolarHBondContact O-N 2.89Å; P46-E49 VanDerWaalsContact O-O 3.09Å; P47-E49 VanDerWaalsContact C-N 3.34Å; E49-C62 HydrophobicContact CB-CB 4.15Å; E49-C62 WeakPolarHBondContact OE2-CB 3.48Å; E49-A63 CarbonylContact C-O 3.38Å; E49-A63 VanDerWaalsContact CA-O 3.26Å; E49-A63 WeakPolarHBondContact CA-O 3.46Å; E49-Q64 HydrophobicContact CG-CG 4.28Å; E49-S72 VanDerWaalsContact O-CB 3.22Å; E49-S72 WeakPolarHBondContact O-CB 3.41Å; E49-S72 PolarHBondContact O-OG 3.45Å
50G96.9Very high95Very high2 Ų249.7 Ų49.72%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-121.7158176.500000112.4V52 C62 A63G50-V52 PolarHBondContact O-N 3.2Å; G50-C62 WeakPolarHBondContact O-CA 3.04Å; G50-A63 PolarHBondContact N-O 3.01Å; G50-A63 PolarHBondContact O-N 3.14Å
51V97.4Very high95.3Very high4 Ų447.9 Ų47.92%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-72.5122.2-178.3178.50000111.3C45 E54 T60 H77 E79 K80C45-V51 HydrophobicContact CB-CG2 4.46Å; C45-V51 VanDerWaalsContact SG-CG2 3.52Å; V51-E54 HydrophobicContact CG1-CG 3.97Å; V51-T60 HydrophobicContact CG1-CG2 4.01Å; V51-T60 HydrophobicContact CG2-CG2 3.87Å; V51-H77 VanDerWaalsContact CG2-C 3.42Å; V51-E79 WeakPolarHBondContact CB-O 3.36Å; V51-E79 VanDerWaalsContact CG2-O 3.24Å; V51-E79 WeakPolarHBondContact CG2-O 3.45Å; V51-E79 PolarHBondContact N-O 3.35Å; V51-K80 WeakPolarHBondContact O-CD 3.2Å; V51-K80 WeakPolarHBondContact O-CG 3.49Å
52V96.7Very high95.5Very high92 Ų9247.8 Ų47.856%0.55828%0.276SS*.EExtended strand (participates in β ladder)trans-92.8-42.6170.3-179.40000110.3G50 V61 A63G50-V52 PolarHBondContact O-N 3.2Å; V52-V61 PolarHBondContact N-O 2.59Å; V52-A63 HydrophobicContact CG2-CB 3.38Å
53K95.3Very high95.7Very high108 Ų10849.6 Ų49.647%0.4729%0.291SS..EExtended strand (participates in β ladder)trans-130.3123.3177.7-169.1-172.7-176.7-172.10109.4T58 T60 V61K53-T58 WeakPolarHBondContact CE-OG1 3.41Å; K53-T58 PolarHBondContact NZ-OG1 3.32Å; K53-T60 WeakPolarHBondContact O-CA 3.48Å; K53-V61 HydrophobicContact CB-CB 3.88Å; K53-V61 HydrophobicContact CB-CG2 3.98Å; K53-V61 HydrophobicContact CD-CG2 4.31Å; K53-V61 PolarHBondContact N-O 3.48Å; K53-V61 PolarHBondContact O-N 3.27Å
54E94.4Very high95.9Very high114 Ų11452 Ų5253%0.53330%0.301SS..  trans-69.2154.5178.3-67.2173.7-160.600111.9V51V51-E54 HydrophobicContact CG1-CG 3.97Å
55C94Very high96Very high18 Ų1849.3 Ų49.312%0.12229%0.29CS..SBendtrans-63.8140.2173.5-169.50000111.5C42C42-C55 VanDerWaalsContact CA-SG 3.59Å; C42-C55 HydrophobicContact CB-CB 3.58Å; C42-C55 WeakPolarHBondContact CB-SG 3.26Å; C42-C55 WeakPolarHBondContact SG-CB 3.29Å; C42-C55 CovalentContact SG-SG 2.02Å; C42-C55 PolarHBondContact SG-SG 2.78Å
56G91.2Very high96Very high28 Ų2854 Ų5429%0.28931%0.314SS..SBendtrans-178.8-105.9176.900000111.2T36 T37 T58T36-G56 CarbonylContact C-O 3.48Å; T36-G56 WeakPolarHBondContact CA-O 3.38Å; T36-G56 WeakPolarHBondContact CB-O 3.33Å; T37-G56 PolarHBondContact N-O 3.07Å; G56-T58 PolarHBondContact N-O 2.04Å; G56-T58 PolarHBondContact O-N 2.79Å
57A91.7Very high95.9Very high79 Ų7956.4 Ų56.465%0.65333%0.325SS*.SBendtrans-67.1-29171.700000112.8T37T37-A57 WeakPolarHBondContact OG1-CA 3.42Å
58T92.6Very high95.8Very high62 Ų6258.1 Ų58.138%0.3834%0.337SS..SBendtrans-123.2166.7175.660.70000109.5K53 G56K53-T58 WeakPolarHBondContact CE-OG1 3.41Å; K53-T58 PolarHBondContact NZ-OG1 3.32Å; G56-T58 PolarHBondContact N-O 2.04Å; G56-T58 PolarHBondContact O-N 2.79Å
59Q94.4Very high95.7Very high44 Ų4463.6 Ų63.621%0.20636%0.362CS..  trans-65161.5172.6-77.8-78.2-101.500113.3T36 C41 M43T36-Q59 HydrophobicContact CG2-CG 4.07Å; C41-Q59 PolarHBondContact O-NE2 3.48Å; C41-Q59 PolarHBondContact O-OE1 3.46Å; M43-Q59 HydrophobicContact CE-CB 3.68Å; M43-Q59 HydrophobicContact CE-CG 3.99Å; M43-Q59 VanDerWaalsContact CG-OE1 3.28Å
60T95.4Very high95.7Very high8 Ų862.2 Ų62.25%0.04936%0.358CS..  trans-56137.3171.3-41.60000110.1M43 V51 K53 H77M43-T60 WeakPolarHBondContact O-CB 3.03Å; M43-T60 PolarHBondContact O-OG1 3.01Å; V51-T60 HydrophobicContact CG1-CG2 4.01Å; V51-T60 HydrophobicContact CG2-CG2 3.87Å; K53-T60 WeakPolarHBondContact O-CA 3.48Å; T60-H77 HydrophobicContact CG2-CB 4.35Å
61V96.8Very high95.7Very high72 Ų7263.6 Ų63.644%0.43636%0.362SS..EExtended strand (participates in β ladder)trans-114.4122.3172.9-1780000108.3V52 K53V52-V61 PolarHBondContact N-O 2.59Å; K53-V61 HydrophobicContact CB-CB 3.88Å; K53-V61 HydrophobicContact CB-CG2 3.98Å; K53-V61 HydrophobicContact CD-CG2 4.31Å; K53-V61 PolarHBondContact N-O 3.48Å; K53-V61 PolarHBondContact O-N 3.27Å
62C97.7Very high95.8Very high40 Ų4063.5 Ų63.527%0.2736%0.362SS..EExtended strand (participates in β ladder)trans-102.3151-178.8-52.50000110.9C45 E49 G50C45-C62 WeakPolarHBondContact CA-SG 3.15Å; C45-C62 HydrophobicContact CB-CB 3.79Å; C45-C62 WeakPolarHBondContact CB-SG 3.21Å; C45-C62 VanDerWaalsContact SG-CA 3.55Å; C45-C62 WeakPolarHBondContact SG-CB 3.41Å; C45-C62 CovalentContact SG-SG 2.03Å; C45-C62 PolarHBondContact SG-SG 2.75Å; E49-C62 HydrophobicContact CB-CB 4.15Å; E49-C62 WeakPolarHBondContact OE2-CB 3.48Å; G50-C62 WeakPolarHBondContact O-CA 3.04Å
63A97.6Very high95.8Very high42 Ų4263 Ų6335%0.34735%0.353SS..EExtended strand (participates in β ladder)trans-139.7150.6168.600000110.2E49 G50 V52E49-A63 CarbonylContact C-O 3.38Å; E49-A63 VanDerWaalsContact CA-O 3.26Å; E49-A63 WeakPolarHBondContact CA-O 3.46Å; G50-A63 PolarHBondContact N-O 3.01Å; G50-A63 PolarHBondContact O-N 3.14Å; V52-A63 HydrophobicContact CG2-CB 3.38Å
64Q98.1Very high95.8Very high155 Ų15562.3 Ų62.372%0.72436%0.355SS*.EExtended strand (participates in β ladder)trans-61.5137.2177.2-73.7170.130.700111E49E49-Q64 HydrophobicContact CG-CG 4.28Å
65C98.1Very high95.9Very high9 Ų964 Ų646%0.06136%0.358CS..  trans-72.2147.1169.7-57.90000110G48 D67 T70 C81 D99G48-C65 PolarHBondContact O-N 2.93Å; C65-D67 PolarHBondContact O-N 2.81Å; C65-T70 WeakPolarHBondContact CB-O 3.31Å; C65-T70 WeakPolarHBondContact CB-OG1 3.41Å; C65-C81 WeakPolarHBondContact CA-SG 3.22Å; C65-C81 HydrophobicContact CB-CB 3.86Å; C65-C81 WeakPolarHBondContact CB-SG 3.46Å; C65-C81 WeakPolarHBondContact SG-CB 3.4Å; C65-C81 CovalentContact SG-SG 2.05Å; C65-C81 PolarHBondContact SG-SG 2.92Å; C65-D99 HydrophobicContact CB-CB 4.34Å
66L97.8Very high95.9Very high98 Ų9863.7 Ų63.751%0.51336%0.356SS..  trans-78.2115.6178.9-176.255.9000109.7E69 T70L66-E69 HydrophobicContact CB-CB 4.24Å; L66-E69 HydrophobicContact CD2-CB 4.14Å; L66-E69 HydrophobicContact CD2-CG 4.05Å; L66-E69 WeakPolarHBondContact CD2-OE2 3.03Å; L66-E69 HydrophobicContact CG-CB 4.06Å; L66-E69 HydrophobicContact CG-CG 4.17Å; L66-E69 PolarHBondContact O-N 2.89Å; L66-T70 PolarHBondContact N-OG1 2.86Å; L66-T70 PolarHBondContact O-N 2.79Å; L66-T70 PolarHBondContact O-OG1 3.11Å
67D95.3Very high96.1Very high96 Ų9663.1 Ų63.151%0.51335%0.346SS..THydrogen-bonded Turntrans-52.8139.6-179.6-169.844.5000111.5C65 E69 T98 D99C65-D67 PolarHBondContact O-N 2.81Å; D67-E69 PolarHBondContact O-N 3.1Å; D67-T98 WeakPolarHBondContact OD1-CA 3.22Å; D67-D99 PolarHBondContact OD1-N 3.35Å
68S94.3Very high96.2Very high83 Ų8362.1 Ų62.158%0.5833%0.331SS*.THydrogen-bonded Turntrans62.6-6.4-173.675.80000117.8
69E96.1Very high96.3Very high121 Ų12162.3 Ų62.357%0.56533%0.328SS*.THydrogen-bonded Turntrans-113.3-39.8178.1-64.8-166.9-171.100113.1L66 D67 P83 C84L66-E69 HydrophobicContact CB-CB 4.24Å; L66-E69 HydrophobicContact CD2-CB 4.14Å; L66-E69 HydrophobicContact CD2-CG 4.05Å; L66-E69 WeakPolarHBondContact CD2-OE2 3.03Å; L66-E69 HydrophobicContact CG-CB 4.06Å; L66-E69 HydrophobicContact CG-CG 4.17Å; L66-E69 PolarHBondContact O-N 2.89Å; D67-E69 PolarHBondContact O-N 3.1Å; E69-P83 WeakPolarHBondContact O-CA 3.18Å; E69-C84 PolarHBondContact O-N 2.82Å; E69-C84 PolarHBondContact O-SG 2.93Å
70T97.8Very high96.5Very high32 Ų3266 Ų6620%0.19634%0.343CS..EExtended strand (participates in β ladder)trans-141.9154.9-178.162.60000112.1C65 L66 K82 C84C65-T70 WeakPolarHBondContact CB-O 3.31Å; C65-T70 WeakPolarHBondContact CB-OG1 3.41Å; L66-T70 PolarHBondContact N-OG1 2.86Å; L66-T70 PolarHBondContact O-N 2.79Å; L66-T70 PolarHBondContact O-OG1 3.11Å; T70-K82 CarbonylContact C-O 3.49Å; T70-K82 WeakPolarHBondContact CA-O 3.37Å; T70-K82 VanDerWaalsContact CB-O 3.28Å; T70-K82 WeakPolarHBondContact CB-O 3.28Å; T70-C84 PolarHBondContact N-SG 2.84Å; T70-C84 VanDerWaalsContact N-SG 3.42Å
71Y98Very high96.6Very high30 Ų3067.5 Ų67.512%0.11835%0.354CS..EExtended strand (participates in β ladder)trans-142.9162.3-177.677.2-81000113.1E73 K82 P83 T98 D99 D102Y71-E73 HydrophobicContact CD2-CG 3.82Å; Y71-E73 HydrophobicContact CE2-CG 3.87Å; Y71-K82 HydrophobicContact CD1-CB 4.21Å; Y71-K82 WeakPolarHBondContact CD1-O 3.45Å; Y71-K82 HydrophobicContact CE1-CB 3.78Å; Y71-K82 PolarHBondContact N-O 3.39Å; Y71-K82 PolarHBondContact O-N 3.41Å; Y71-P83 WeakPolarHBondContact CE1-O 3.36Å; Y71-T98 WeakPolarHBondContact CB-O 3.46Å; Y71-D99 CarbonylContact C-O 3.56Å; Y71-D99 WeakPolarHBondContact CA-O 3.28Å; Y71-D102 HydrophobicContact CD1-CB 4.08Å; Y71-D102 HydrophobicContact CD2-CB 4.04Å; Y71-D102 HydrophobicContact CE1-CB 3.7Å; Y71-D102 VanDerWaalsContact CE1-CG 3.41Å; Y71-D102 HydrophobicContact CE2-CB 3.64Å; Y71-D102 HydrophobicContact CG-CB 4.24Å; Y71-D102 VanDerWaalsContact CZ-CB 3.45Å; Y71-D102 PolarHBondContact OH-OD2 2.83Å
72S98Very high96.6Very high3 Ų367.7 Ų67.72%0.02135%0.349CS..  trans-145.6116.8170.7-178.80000109.8P47 G48 E49 D99 S100P47-S72 CarbonylContact C-O 3.59Å; P47-S72 WeakPolarHBondContact CA-O 3.27Å; P47-S72 WeakPolarHBondContact CB-O 3.4Å; G48-S72 PolarHBondContact N-O 2.93Å; E49-S72 VanDerWaalsContact O-CB 3.22Å; E49-S72 WeakPolarHBondContact O-CB 3.41Å; E49-S72 PolarHBondContact O-OG 3.45Å; S72-D99 PolarHBondContact N-O 3.42Å; S72-S100 WeakPolarHBondContact O-CA 3.42Å
73E96.5Very high96.6Very high80 Ų8070.6 Ų70.637%0.37437%0.367SS..  trans-95.2-25.1-172-84167.5-176.300114.5P47 Y71 S100 D102P47-E73 VanDerWaalsContact CG-O 3.28Å; P47-E73 WeakPolarHBondContact CG-O 3.07Å; Y71-E73 HydrophobicContact CD2-CG 3.82Å; Y71-E73 HydrophobicContact CE2-CG 3.87Å; E73-S100 WeakPolarHBondContact CA-O 3.28Å; E73-S100 VanDerWaalsContact CG-O 3.25Å; E73-S100 WeakPolarHBondContact CG-O 3.49Å; E73-D102 PolarHBondContact OE1-N 3.42Å
74N95.6Very high96.6Very high95 Ų9569.9 Ų69.951%0.50836%0.359SS..SBendtrans-120.8154.6-168.6-66.3-33.7000111S76N74-S76 PolarHBondContact O-N 2.94Å
75Y96Very high96.6Very high149 Ų14965.8 Ų65.858%0.58435%0.345SS*.  trans-64.4124.4165.9-70.6-94.8000109.1C45 P46 P47C45-Y75 VanDerWaalsContact O-CA 3.27Å; C45-Y75 WeakPolarHBondContact O-CA 3.27Å; P46-Y75 HydrophobicContact CB-CD1 4.28Å; P46-Y75 HydrophobicContact CB-CE1 3.77Å; P47-Y75 HydrophobicContact CG-CD2 4.24Å; P47-Y75 HydrophobicContact CG-CE2 4.03Å
76S95.2Very high96.4Very high12 Ų1272.9 Ų72.98%0.08438%0.377CS..BIsolated β-bridgetrans-153.6138.3179.6-170.50000113.4C45 N74 T78 E79C45-S76 WeakPolarHBondContact CB-O 3.46Å; C45-S76 PolarHBondContact N-O 3.46Å; C45-S76 PolarHBondContact O-N 3.42Å; N74-S76 PolarHBondContact O-N 2.94Å; S76-T78 PolarHBondContact OG-N 3.25Å; S76-T78 VanDerWaalsContact OG-N 3.17Å; S76-T78 PolarHBondContact OG-OG1 2.99Å; S76-E79 WeakPolarHBondContact OG-CB 3.09Å; S76-E79 WeakPolarHBondContact OG-CG 3.42Å; S76-E79 PolarHBondContact OG-N 2.91Å
77H94.3Very high96.3Very high16 Ų1669.6 Ų69.67%0.07436%0.362CS..SBendtrans-94.30.7169.868.1-68.6000113.7S32 Q34 C42 M43 E44 V51 T60S32-H77 PolarHBondContact O-CE1 3.01Å; Q34-H77 PolarHBondContact NE2-NE2 2.93Å; Q34-H77 PolarHBondContact OE1-NE2 3.26Å; C42-H77 HydrophobicContact CB-CB 4.21Å; M43-H77 VanDerWaalsContact O-CB 3.27Å; M43-H77 WeakPolarHBondContact O-CB 3.15Å; E44-H77 HydrophobicContact CG-CB 4.26Å; V51-H77 VanDerWaalsContact CG2-C 3.42Å; T60-H77 HydrophobicContact CG2-CB 4.35Å
78T94.4Very high96.3Very high58 Ų5869 Ų6936%0.35636%0.362SS..SBendtrans-125.8-29.8179.558.20000114.6S76 K80S76-T78 PolarHBondContact OG-N 3.25Å; S76-T78 VanDerWaalsContact OG-N 3.17Å; S76-T78 PolarHBondContact OG-OG1 2.99Å; T78-K80 PolarHBondContact O-N 3.5Å
79E95.8Very high96.3Very high65 Ų6568 Ų6830%0.30436%0.364SS..PPolyproline II helixtrans-74.7127.8-176-66.3-161146.700112V51 S76 K82V51-E79 WeakPolarHBondContact CB-O 3.36Å; V51-E79 VanDerWaalsContact CG2-O 3.24Å; V51-E79 WeakPolarHBondContact CG2-O 3.45Å; V51-E79 PolarHBondContact N-O 3.35Å; S76-E79 WeakPolarHBondContact OG-CB 3.09Å; S76-E79 WeakPolarHBondContact OG-CG 3.42Å; S76-E79 PolarHBondContact OG-N 2.91Å; E79-K82 IonicContact OE1-NZ 2.79Å; E79-K82 PolarHBondContact OE1-NZ 3.31Å; E79-K82 IonicContact OE2-NZ 2.79Å; E79-K82 PolarHBondContact OE2-NZ 3.47Å
80K97.4Very high96.2Very high121 Ų12165.9 Ų65.953%0.52636%0.357SS..PPolyproline II helixtrans-85.5164.8171-46.8-160.1174.3176.70110.1V51 T78 K82V51-K80 WeakPolarHBondContact O-CD 3.2Å; V51-K80 WeakPolarHBondContact O-CG 3.49Å; T78-K80 PolarHBondContact O-N 3.5Å; K80-K82 PolarHBondContact O-N 3.26Å
81C97.8Very high96.1Very high40 Ų4067.6 Ų67.627%0.2736%0.363SS..PPolyproline II helixtrans-54.1124.9169.9-63.50000110.1C65C65-C81 WeakPolarHBondContact CA-SG 3.22Å; C65-C81 HydrophobicContact CB-CB 3.86Å; C65-C81 WeakPolarHBondContact CB-SG 3.46Å; C65-C81 WeakPolarHBondContact SG-CB 3.4Å; C65-C81 CovalentContact SG-SG 2.05Å; C65-C81 PolarHBondContact SG-SG 2.92Å
82K97.8Very high96Very high77 Ų7769 Ų6934%0.33537%0.368SS..EExtended strand (participates in β ladder)trans-91.7143.2-179.8-69.4168.1-179.5160.40109T70 Y71 E79 K80T70-K82 CarbonylContact C-O 3.49Å; T70-K82 WeakPolarHBondContact CA-O 3.37Å; T70-K82 VanDerWaalsContact CB-O 3.28Å; T70-K82 WeakPolarHBondContact CB-O 3.28Å; Y71-K82 HydrophobicContact CD1-CB 4.21Å; Y71-K82 WeakPolarHBondContact CD1-O 3.45Å; Y71-K82 HydrophobicContact CE1-CB 3.78Å; Y71-K82 PolarHBondContact N-O 3.39Å; Y71-K82 PolarHBondContact O-N 3.41Å; E79-K82 IonicContact OE1-NZ 2.79Å; E79-K82 PolarHBondContact OE1-NZ 3.31Å; E79-K82 IonicContact OE2-NZ 2.79Å; E79-K82 PolarHBondContact OE2-NZ 3.47Å; K80-K82 PolarHBondContact O-N 3.26Å
83P97.9Very high95.9Very high101 Ų10173.3 Ų73.366%0.65639%0.389SS*.EExtended strand (participates in β ladder)trans-65.1140.8174.528.8-34.1000110.5E69 Y71E69-P83 WeakPolarHBondContact O-CA 3.18Å; Y71-P83 WeakPolarHBondContact CE1-O 3.36Å
84C97.6Very high95.9Very high26 Ų2673.9 Ų73.918%0.17639%0.392CS..PPolyproline II helixtrans-62.2142.8176.9-63.60000111.9E69 T70 Q86 C97 D102E69-C84 PolarHBondContact O-N 2.82Å; E69-C84 PolarHBondContact O-SG 2.93Å; T70-C84 PolarHBondContact N-SG 2.84Å; T70-C84 VanDerWaalsContact N-SG 3.42Å; C84-Q86 PolarHBondContact O-N 2.73Å; C84-C97 HydrophobicContact CB-CB 3.62Å; C84-C97 WeakPolarHBondContact CB-SG 3.46Å; C84-C97 WeakPolarHBondContact SG-CB 3.39Å; C84-C97 CovalentContact SG-SG 2.02Å; C84-C97 PolarHBondContact SG-SG 2.91Å; C84-D102 WeakPolarHBondContact CA-OD1 3.33Å
85T96.9Very high95.9Very high69 Ų6971.8 Ų71.842%0.42338%0.382SS..PPolyproline II helixtrans-64.3129.3170.2-67.60000110.3D102 A103T85-D102 WeakPolarHBondContact CB-OD1 3.38Å; T85-D102 VanDerWaalsContact CB-OD2 3.28Å; T85-D102 WeakPolarHBondContact CB-OD2 3.39Å; T85-D102 PolarHBondContact N-OD1 3.41Å; T85-D102 PolarHBondContact OG1-OD2 3.44Å; T85-A103 WeakPolarHBondContact O-CB 3.35Å
86Q95.1Very high95.9Very high159 Ų15968.7 Ų68.774%0.74338%0.381SS*.PPolyproline II helixtrans-98118.5175.9-169.317671.100110.7C84 T88C84-Q86 PolarHBondContact O-N 2.73Å; Q86-T88 HydrophobicContact CB-CG2 4.46Å; Q86-T88 HydrophobicContact CG-CG2 4.03Å; Q86-T88 PolarHBondContact O-N 2.04Å; Q86-T88 VanDerWaalsContact O-N 3.17Å
87C95.4Very high96Very high28 Ų2868.6 Ų68.619%0.18938%0.38CS..  trans-73108175.4-49.40000110.4M91 C105C87-M91 HydrophobicContact CB-CB 4.23Å; C87-C105 WeakPolarHBondContact CA-SG 3.38Å; C87-C105 HydrophobicContact CB-CB 3.84Å; C87-C105 WeakPolarHBondContact CB-SG 3.07Å; C87-C105 WeakPolarHBondContact SG-CA 3.48Å; C87-C105 WeakPolarHBondContact SG-CB 3.07Å; C87-C105 CovalentContact SG-SG 2.04Å; C87-C105 PolarHBondContact SG-SG 2.88Å
88T93.9Very high96.1Very high85 Ų8569.8 Ų69.852%0.52139%0.389SS..  trans-115.5169.2-177.959.10000112Q86 L90 M91Q86-T88 HydrophobicContact CB-CG2 4.46Å; Q86-T88 HydrophobicContact CG-CG2 4.03Å; Q86-T88 PolarHBondContact O-N 2.04Å; Q86-T88 VanDerWaalsContact O-N 3.17Å; T88-L90 PolarHBondContact O-N 3.31Å; T88-M91 WeakPolarHBondContact O-CB 3.17Å; T88-M91 PolarHBondContact O-N 2.92Å
89G93.8Very high96.3Very high61 Ų6169.8 Ų69.863%0.62939%0.386SS*.THydrogen-bonded Turntrans66.8-123.7176.600000113.8M91 K108G89-M91 VanDerWaalsContact C-N 3.3Å; G89-K108 WeakPolarHBondContact O-CE 3.4Å; G89-K108 PolarHBondContact O-NZ 3.22Å
90L95.8Very high96.3Very high77 Ų7768.2 Ų68.240%0.40338%0.382SS..THydrogen-bonded Turntrans-91.111.8178.4-67.8177000113.4T88 K108 F111 C120T88-L90 PolarHBondContact O-N 3.31Å; L90-K108 WeakPolarHBondContact O-CB 3.37Å; L90-K108 WeakPolarHBondContact O-CG 3.33Å; L90-K108 PolarHBondContact O-N 3.48Å; L90-F111 HydrophobicContact CD1-CD1 3.93Å; L90-F111 HydrophobicContact CD1-CE1 3.69Å; L90-F111 HydrophobicContact CD1-CZ 4.44Å; L90-F111 HydrophobicContact CD2-CD1 4.49Å; L90-F111 HydrophobicContact CD2-CE1 3.99Å; L90-F111 HydrophobicContact CD2-CE2 4.33Å; L90-F111 HydrophobicContact CD2-CZ 3.91Å; L90-F111 HydrophobicContact CG-CE1 4.41Å; L90-C120 HydrophobicContact CB-CB 3.75Å; L90-C120 HydrophobicContact CD1-CB 4.33Å; L90-C120 WeakPolarHBondContact CD1-O 3.38Å
91M95.9Very high96.3Very high68 Ų6866.5 Ų66.534%0.33538%0.379SS..EExtended strand (participates in β ladder)trans-95.8154.5176.1-59.1174.3128.100111.2C87 T88 G89 C105 V106 K108C87-M91 HydrophobicContact CB-CB 4.23Å; T88-M91 WeakPolarHBondContact O-CB 3.17Å; T88-M91 PolarHBondContact O-N 2.92Å; G89-M91 VanDerWaalsContact C-N 3.3Å; M91-C105 HydrophobicContact CB-CB 4.28Å; M91-C105 HydrophobicContact SD-CB 4.29Å; M91-V106 CarbonylContact C-O 3.48Å; M91-V106 WeakPolarHBondContact CA-O 3.27Å; M91-K108 WeakPolarHBondContact O-CE 3.37Å
92R95.6Very high96.3Very high59 Ų5965.7 Ų65.722%0.22337%0.372CS..EExtended strand (participates in β ladder)trans-132.1159.8170.866173-179.284.1-0.1109.1C105 V106 C107 K108R92-C105 WeakPolarHBondContact O-CA 3.03Å; R92-V106 HydrophobicContact CG-CG2 3.93Å; R92-V106 PolarHBondContact N-O 2.98Å; R92-V106 PolarHBondContact O-N 3.46Å; R92-C107 PolarHBondContact NE-O 3.17Å; R92-K108 HydrophobicContact CB-CG 4.1Å
93M95.9Very high96.2Very high94 Ų9462.3 Ų62.346%0.46336%0.359SS..EExtended strand (participates in β ladder)trans-73.5126.9173.6-163.1171.5-81.600109.7T95 P96 A103M93-T95 WeakPolarHBondContact CG-O 3.47Å; M93-P96 VanDerWaalsContact SD-CA 3.52Å; M93-P96 HydrophobicContact SD-CB 4.06Å; M93-A103 HydrophobicContact CE-CB 3.92Å; M93-A103 HydrophobicContact CG-CB 4.47Å
94E95.9Very high96.2Very high92 Ų9263.7 Ų63.743%0.4335%0.354SS..EExtended strand (participates in β ladder)trans-93-49.4168.5-179.2170.6-135.300110.2K104 V106 Y139E94-K104 PolarHBondContact N-O 2.93Å; E94-V106 HydrophobicContact CB-CB 4.45Å; E94-V106 HydrophobicContact CB-CG1 3.83Å; E94-V106 HydrophobicContact CB-CG2 3.81Å; E94-V106 HydrophobicContact CG-CG1 4.42Å; E94-V106 WeakPolarHBondContact OE2-CG1 3.32Å; E94-Y139 PolarHBondContact OE2-OH 2.04Å
95T95.4Very high96.1Very high50 Ų5064 Ų6431%0.30736%0.357SS..EExtended strand (participates in β ladder)trans-117.2133.6170.963.30000109.7M93 A103 K104M93-T95 WeakPolarHBondContact CG-O 3.47Å; T95-A103 WeakPolarHBondContact O-CA 3.18Å; T95-K104 HydrophobicContact CG2-CD 4.33Å; T95-K104 PolarHBondContact O-N 2.85Å; T95-K104 VanDerWaalsContact O-N 3.15Å; T95-K104 WeakPolarHBondContact OG1-CB 3.46Å; T95-K104 VanDerWaalsContact OG1-CG 3.23Å; T95-K104 WeakPolarHBondContact OG1-CG 3.08Å; T95-K104 PolarHBondContact OG1-N 3.5Å
96P96.2Very high96.1Very high84 Ų8461 Ų6155%0.54534%0.338SS..  trans-65.7153.3176.230.1-34.6000111.5M93M93-P96 VanDerWaalsContact SD-CA 3.52Å; M93-P96 HydrophobicContact SD-CB 4.06Å
97C97.2Very high96.2Very high11 Ų1153.6 Ų53.67%0.07430%0.303CS..  trans-69.9134.1168-165.20000109.1C84 N101 A103C84-C97 HydrophobicContact CB-CB 3.62Å; C84-C97 WeakPolarHBondContact CB-SG 3.46Å; C84-C97 WeakPolarHBondContact SG-CB 3.39Å; C84-C97 CovalentContact SG-SG 2.02Å; C84-C97 PolarHBondContact SG-SG 2.91Å; C97-N101 PolarHBondContact SG-O 2.87Å; C97-N101 VanDerWaalsContact SG-O 3.41Å; C97-A103 HydrophobicContact CB-CB 3.94Å
98T97Very high96.2Very high41 Ų4156.5 Ų56.525%0.25231%0.313SS..BIsolated β-bridgetrans-121.3169.1170.467.20000109.2D67 Y71 S100 N101D67-T98 WeakPolarHBondContact OD1-CA 3.22Å; Y71-T98 WeakPolarHBondContact CB-O 3.46Å; T98-S100 PolarHBondContact O-N 2.63Å; T98-S100 PolarHBondContact OG1-N 3.31Å; T98-S100 PolarHBondContact OG1-OG 2.94Å; T98-N101 PolarHBondContact N-O 2.91Å; T98-N101 PolarHBondContact O-N 3.35Å; T98-N101 PolarHBondContact OG1-N 3.47Å; T98-N101 PolarHBondContact OG1-ND2 2.82Å
99D97.2Very high96.2Very high58 Ų5860.9 Ų60.931%0.3132%0.321SS..THydrogen-bonded Turntrans-49-26.817162.3-6.7000114.7G48 C65 D67 Y71 S72G48-D99 VanDerWaalsContact CA-O 3.27Å; G48-D99 WeakPolarHBondContact CA-O 3.25Å; C65-D99 HydrophobicContact CB-CB 4.34Å; D67-D99 PolarHBondContact OD1-N 3.35Å; Y71-D99 CarbonylContact C-O 3.56Å; Y71-D99 WeakPolarHBondContact CA-O 3.28Å; S72-D99 PolarHBondContact N-O 3.42Å
100S97.1Very high96.2Very high31 Ų3161.7 Ų61.722%0.21731%0.311CS..THydrogen-bonded Turntrans-112.7-10.4-170.440.80000114.4S72 E73 T98S72-S100 WeakPolarHBondContact O-CA 3.42Å; E73-S100 WeakPolarHBondContact CA-O 3.28Å; E73-S100 VanDerWaalsContact CG-O 3.25Å; E73-S100 WeakPolarHBondContact CG-O 3.49Å; T98-S100 PolarHBondContact O-N 2.63Å; T98-S100 PolarHBondContact OG1-N 3.31Å; T98-S100 PolarHBondContact OG1-OG 2.94Å
101N96.5Very high96.3Very high86 Ų8660.6 Ų60.646%0.4630%0.303SS..BIsolated β-bridgetrans-146.7141.4-177.5-60.3-81.2000111.1C97 T98C97-N101 PolarHBondContact SG-O 2.87Å; C97-N101 VanDerWaalsContact SG-O 3.41Å; T98-N101 PolarHBondContact N-O 2.91Å; T98-N101 PolarHBondContact O-N 3.35Å; T98-N101 PolarHBondContact OG1-N 3.47Å; T98-N101 PolarHBondContact OG1-ND2 2.82Å
102D97.7Very high96.3Very high23 Ų2358.9 Ų58.912%0.12329%0.293CS..PPolyproline II helixtrans-68.4158.7172.9-157.85.9000112.5Y71 E73 C84 T85 K104Y71-D102 HydrophobicContact CD1-CB 4.08Å; Y71-D102 HydrophobicContact CD2-CB 4.04Å; Y71-D102 HydrophobicContact CE1-CB 3.7Å; Y71-D102 VanDerWaalsContact CE1-CG 3.41Å; Y71-D102 HydrophobicContact CE2-CB 3.64Å; Y71-D102 HydrophobicContact CG-CB 4.24Å; Y71-D102 VanDerWaalsContact CZ-CB 3.45Å; Y71-D102 PolarHBondContact OH-OD2 2.83Å; E73-D102 PolarHBondContact OE1-N 3.42Å; C84-D102 WeakPolarHBondContact CA-OD1 3.33Å; T85-D102 WeakPolarHBondContact CB-OD1 3.38Å; T85-D102 VanDerWaalsContact CB-OD2 3.28Å; T85-D102 WeakPolarHBondContact CB-OD2 3.39Å; T85-D102 PolarHBondContact N-OD1 3.41Å; T85-D102 PolarHBondContact OG1-OD2 3.44Å; D102-K104 PolarHBondContact O-N 3.42Å
103A96.8Very high96.4Very high6 Ų659.9 Ų59.95%0.0530%0.299CS..PPolyproline II helixtrans-66.7131.5166.800000110.8T85 M93 T95 C97T85-A103 WeakPolarHBondContact O-CB 3.35Å; M93-A103 HydrophobicContact CE-CB 3.92Å; M93-A103 HydrophobicContact CG-CB 4.47Å; T95-A103 WeakPolarHBondContact O-CA 3.18Å; C97-A103 HydrophobicContact CB-CB 3.94Å
104K96.4Very high96.4Very high129 Ų12956.7 Ų56.756%0.56128%0.284SS*.EExtended strand (participates in β ladder)trans-95.4122.9171.1-63.9178.9-177.61790109.9E94 T95 D102E94-K104 PolarHBondContact N-O 2.93Å; T95-K104 HydrophobicContact CG2-CD 4.33Å; T95-K104 PolarHBondContact O-N 2.85Å; T95-K104 VanDerWaalsContact O-N 3.15Å; T95-K104 WeakPolarHBondContact OG1-CB 3.46Å; T95-K104 VanDerWaalsContact OG1-CG 3.23Å; T95-K104 WeakPolarHBondContact OG1-CG 3.08Å; T95-K104 PolarHBondContact OG1-N 3.5Å; D102-K104 PolarHBondContact O-N 3.42Å
105C96.2Very high96.3Very high34 Ų3457.2 Ų57.223%0.2330%0.298CS..EExtended strand (participates in β ladder)trans-101.7131.6180-58.20000111C87 M91 R92C87-C105 WeakPolarHBondContact CA-SG 3.38Å; C87-C105 HydrophobicContact CB-CB 3.84Å; C87-C105 WeakPolarHBondContact CB-SG 3.07Å; C87-C105 WeakPolarHBondContact SG-CA 3.48Å; C87-C105 WeakPolarHBondContact SG-CB 3.07Å; C87-C105 CovalentContact SG-SG 2.04Å; C87-C105 PolarHBondContact SG-SG 2.88Å; M91-C105 HydrophobicContact CB-CB 4.28Å; M91-C105 HydrophobicContact SD-CB 4.29Å; R92-C105 WeakPolarHBondContact O-CA 3.03Å
106V96.7Very high96.3Very high6 Ų662.5 Ų62.54%0.03632%0.323CS..EExtended strand (participates in β ladder)trans-130.2167.1175.4-60.30000110.2M91 R92 E94 P138 Y139M91-V106 CarbonylContact C-O 3.48Å; M91-V106 WeakPolarHBondContact CA-O 3.27Å; R92-V106 HydrophobicContact CG-CG2 3.93Å; R92-V106 PolarHBondContact N-O 2.98Å; R92-V106 PolarHBondContact O-N 3.46Å; E94-V106 HydrophobicContact CB-CB 4.45Å; E94-V106 HydrophobicContact CB-CG1 3.83Å; E94-V106 HydrophobicContact CB-CG2 3.81Å; E94-V106 HydrophobicContact CG-CG1 4.42Å; E94-V106 WeakPolarHBondContact OE2-CG1 3.32Å; V106-P138 HydrophobicContact CB-CB 3.85Å; V106-P138 HydrophobicContact CB-CG 4.47Å; V106-P138 HydrophobicContact CG1-CB 4.45Å; V106-P138 HydrophobicContact CG2-CB 4.25Å; V106-P138 HydrophobicContact CG2-CG 4.4Å; V106-Y139 WeakPolarHBondContact CG1-OH 3.26Å
107C97.4Very high96.2Very high2 Ų260.9 Ų60.91%0.01431%0.313CS..EExtended strand (participates in β ladder)trans-61.5146.9176.8-630000112.2R92 F111 F113 C120R92-C107 PolarHBondContact NE-O 3.17Å; C107-F111 HydrophobicContact CB-CB 3.88Å; C107-F111 WeakPolarHBondContact CB-O 3.4Å; C107-F113 VanDerWaalsContact SG-CA 3.57Å; C107-F113 PolarHBondContact SG-N 3.36Å; C107-F113 VanDerWaalsContact SG-N 3.39Å; C107-C120 WeakPolarHBondContact CA-SG 3.21Å; C107-C120 HydrophobicContact CB-CB 3.83Å; C107-C120 WeakPolarHBondContact CB-SG 3.44Å; C107-C120 VanDerWaalsContact SG-CA 3.53Å; C107-C120 WeakPolarHBondContact SG-CB 3.43Å; C107-C120 CovalentContact SG-SG 2.04Å; C107-C120 PolarHBondContact SG-SG 3.31Å
108K96.5Very high96.1Very high89 Ų8962.5 Ų62.539%0.38733%0.332SS..PPolyproline II helixtrans-57.6163.1174.3-81.3174.8179.6170.20110.9G89 L90 M91 R92 N110 F111G89-K108 WeakPolarHBondContact O-CE 3.4Å; G89-K108 PolarHBondContact O-NZ 3.22Å; L90-K108 WeakPolarHBondContact O-CB 3.37Å; L90-K108 WeakPolarHBondContact O-CG 3.33Å; L90-K108 PolarHBondContact O-N 3.48Å; M91-K108 WeakPolarHBondContact O-CE 3.37Å; R92-K108 HydrophobicContact CB-CG 4.1Å; K108-N110 PolarHBondContact O-N 3.27Å; K108-F111 HydrophobicContact CB-CD2 4.15Å; K108-F111 PolarHBondContact O-N 2.96Å
109Y94.1Very high96Very high177 Ų17766.9 Ų66.969%0.69435%0.35SS*.THydrogen-bonded Turntrans-54.3139.8172-60.2-69.4000110.7F111Y109-F111 WeakPolarHBondContact O-CD2 3.33Å; Y109-F111 PolarHBondContact O-N 3.12Å
110N93.8Very high96Very high79 Ų7964.9 Ų64.942%0.42234%0.34SS..THydrogen-bonded Turntrans6720.1-174.8-45.6-25.3000114.2K108 P122 C123 Y158K108-N110 PolarHBondContact O-N 3.27Å; N110-P122 WeakPolarHBondContact O-CA 3.38Å; N110-C123 WeakPolarHBondContact CA-SG 3.05Å; N110-C123 PolarHBondContact O-N 3.44Å; N110-C123 PolarHBondContact O-SG 2.95Å; N110-Y158 PolarHBondContact ND2-OH 3.32Å; N110-Y158 WeakPolarHBondContact OD1-CE2 3.3Å
111F96.6Very high96Very high53 Ų5366.1 Ų66.123%0.23234%0.342CS..EExtended strand (participates in β ladder)trans-131.8147.7168.5-66.6-102.1000110.6L90 C107 K108 Y109 C120 E121 P122 C123L90-F111 HydrophobicContact CD1-CD1 3.93Å; L90-F111 HydrophobicContact CD1-CE1 3.69Å; L90-F111 HydrophobicContact CD1-CZ 4.44Å; L90-F111 HydrophobicContact CD2-CD1 4.49Å; L90-F111 HydrophobicContact CD2-CE1 3.99Å; L90-F111 HydrophobicContact CD2-CE2 4.33Å; L90-F111 HydrophobicContact CD2-CZ 3.91Å; L90-F111 HydrophobicContact CG-CE1 4.41Å; C107-F111 HydrophobicContact CB-CB 3.88Å; C107-F111 WeakPolarHBondContact CB-O 3.4Å; K108-F111 HydrophobicContact CB-CD2 4.15Å; K108-F111 PolarHBondContact O-N 2.96Å; Y109-F111 WeakPolarHBondContact O-CD2 3.33Å; Y109-F111 PolarHBondContact O-N 3.12Å; F111-C120 HydrophobicContact CB-CB 4.26Å; F111-C120 HydrophobicContact CD1-CB 4.49Å; F111-E121 CarbonylContact C-O 3.58Å; F111-E121 WeakPolarHBondContact CA-O 3.49Å; F111-E121 WeakPolarHBondContact CB-O 3.43Å; F111-E121 VanDerWaalsContact CD1-C 3.42Å; F111-E121 WeakPolarHBondContact CD1-O 3.46Å; F111-P122 HydrophobicContact CD1-CB 4.29Å; F111-P122 HydrophobicContact CE1-CB 4.02Å; F111-C123 PolarHBondContact N-SG 3.5Å; F111-C123 VanDerWaalsContact N-SG 3.4Å
112Y96.6Very high96Very high33 Ų3366.1 Ų66.113%0.12935%0.347CS..EExtended strand (participates in β ladder)trans-122.1155.6172.374.7-80.8000110.4N114 C120 E121 D137 D141Y112-N114 HydrophobicContact CE2-CB 3.84Å; Y112-N114 PolarHBondContact O-N 3.42Å; Y112-C120 CarbonylContact O-C 3.46Å; Y112-C120 VanDerWaalsContact O-CA 3.32Å; Y112-C120 WeakPolarHBondContact O-CA 3.38Å; Y112-E121 HydrophobicContact CD1-CB 4.46Å; Y112-E121 WeakPolarHBondContact CD1-O 3.47Å; Y112-E121 HydrophobicContact CE1-CB 3.9Å; Y112-E121 PolarHBondContact N-O 3.43Å; Y112-E121 PolarHBondContact O-N 2.93Å; Y112-E121 PolarHBondContact OH-OE2 3.43Å; Y112-D137 VanDerWaalsContact CB-O 3.24Å; Y112-D137 WeakPolarHBondContact CB-O 3.23Å; Y112-D141 HydrophobicContact CD1-CB 3.78Å; Y112-D141 HydrophobicContact CD2-CB 4.11Å; Y112-D141 HydrophobicContact CE1-CB 3.57Å; Y112-D141 WeakPolarHBondContact CE1-OD1 3.22Å; Y112-D141 HydrophobicContact CE2-CB 3.92Å; Y112-D141 HydrophobicContact CG-CB 4.04Å
113F97.4Very high95.9Very high80 Ų8065.7 Ų65.735%0.35135%0.346SS..EExtended strand (participates in β ladder)trans-83.5110.6177-173.1-103.3000110.6C107 S115 P138C107-F113 VanDerWaalsContact SG-CA 3.57Å; C107-F113 PolarHBondContact SG-N 3.36Å; C107-F113 VanDerWaalsContact SG-N 3.39Å; F113-S115 PolarHBondContact O-N 3.46Å; F113-P138 WeakPolarHBondContact CB-O 3.04Å; F113-P138 PolarHBondContact N-O 3.07Å
114N96.6Very high95.9Very high27 Ų2768.4 Ų68.414%0.14436%0.362CS..EExtended strand (participates in β ladder)trans-84.3111.5174-175.9-27.3000109.5Y112 I116 S117 G118 Q119 E121Y112-N114 HydrophobicContact CE2-CB 3.84Å; Y112-N114 PolarHBondContact O-N 3.42Å; N114-I116 PolarHBondContact O-N 3.44Å; N114-I116 WeakPolarHBondContact OD1-CB 3.48Å; N114-I116 PolarHBondContact OD1-N 3Å; N114-S117 WeakPolarHBondContact CB-OG 3.38Å; N114-S117 PolarHBondContact O-N 3.26Å; N114-S117 PolarHBondContact OD1-N 3.15Å; N114-G118 WeakPolarHBondContact O-CA 3.11Å; N114-G118 PolarHBondContact O-N 3.32Å; N114-Q119 PolarHBondContact N-O 3.03Å; N114-Q119 PolarHBondContact O-N 3.4Å; N114-E121 HydrophobicContact CB-CB 4.5Å; N114-E121 HydrophobicContact CB-CG 4.17Å; N114-E121 VanDerWaalsContact ND2-CD 3.31Å; N114-E121 PolarHBondContact ND2-OE1 3.49Å; N114-E121 PolarHBondContact ND2-OE2 2.86Å
115S94Very high95.9Very high103 Ų10365.6 Ų65.672%0.7236%0.355SS*.THydrogen-bonded Turntrans-67.3-19.4-178.359.80000114.1F113F113-S115 PolarHBondContact O-N 3.46Å
116I94.7Very high96Very high160 Ų16064 Ų6482%0.82134%0.344SS*.THydrogen-bonded Turntrans-81.1-46179.2-55.6173.3000110.3N114N114-I116 PolarHBondContact O-N 3.44Å; N114-I116 WeakPolarHBondContact OD1-CB 3.48Å; N114-I116 PolarHBondContact OD1-N 3Å
117S94.6Very high96.1Very high50 Ų5066.3 Ų66.335%0.3536%0.359SS..THydrogen-bonded Turntrans-83.2-17.8177.465.10000113N114 Q119 E121N114-S117 WeakPolarHBondContact CB-OG 3.38Å; N114-S117 PolarHBondContact O-N 3.26Å; N114-S117 PolarHBondContact OD1-N 3.15Å; S117-Q119 VanDerWaalsContact C-N 3.25Å; S117-Q119 PolarHBondContact O-N 2.8Å; S117-E121 VanDerWaalsContact CB-OE1 3.26Å; S117-E121 WeakPolarHBondContact CB-OE1 3.24Å; S117-E121 PolarHBondContact OG-OE1 2.88Å
118G93.4Very high96.1Very high46 Ų4670.4 Ų70.447%0.47438%0.381SS..THydrogen-bonded Turntrans69.822-177.300000113.1N114N114-G118 WeakPolarHBondContact O-CA 3.11Å; N114-G118 PolarHBondContact O-N 3.32Å
119Q95.1Very high96.1Very high133 Ų13366.7 Ų66.762%0.62137%0.367SS*.EExtended strand (participates in β ladder)trans-136.3160.1-171.7-65.5-179.34200111.7N114 S117N114-Q119 PolarHBondContact N-O 3.03Å; N114-Q119 PolarHBondContact O-N 3.4Å; S117-Q119 VanDerWaalsContact C-N 3.25Å; S117-Q119 PolarHBondContact O-N 2.8Å
120C97.4Very high96.3Very high15 Ų1560.8 Ų60.810%0.10135%0.346CS..EExtended strand (participates in β ladder)trans-77.3120.5171.4-66.60000110L90 C107 F111 Y112L90-C120 HydrophobicContact CB-CB 3.75Å; L90-C120 HydrophobicContact CD1-CB 4.33Å; L90-C120 WeakPolarHBondContact CD1-O 3.38Å; C107-C120 WeakPolarHBondContact CA-SG 3.21Å; C107-C120 HydrophobicContact CB-CB 3.83Å; C107-C120 WeakPolarHBondContact CB-SG 3.44Å; C107-C120 VanDerWaalsContact SG-CA 3.53Å; C107-C120 WeakPolarHBondContact SG-CB 3.43Å; C107-C120 CovalentContact SG-SG 2.04Å; C107-C120 PolarHBondContact SG-SG 3.31Å; F111-C120 HydrophobicContact CB-CB 4.26Å; F111-C120 HydrophobicContact CD1-CB 4.49Å; Y112-C120 CarbonylContact O-C 3.46Å; Y112-C120 VanDerWaalsContact O-CA 3.32Å; Y112-C120 WeakPolarHBondContact O-CA 3.38Å
121E96.8Very high96.4Very high58 Ų5857 Ų5727%0.27133%0.326SS..EExtended strand (participates in β ladder)trans-110.8147.8178.7-74.2178-167.200110.3F111 Y112 N114 S117F111-E121 CarbonylContact C-O 3.58Å; F111-E121 WeakPolarHBondContact CA-O 3.49Å; F111-E121 WeakPolarHBondContact CB-O 3.43Å; F111-E121 VanDerWaalsContact CD1-C 3.42Å; F111-E121 WeakPolarHBondContact CD1-O 3.46Å; Y112-E121 HydrophobicContact CD1-CB 4.46Å; Y112-E121 WeakPolarHBondContact CD1-O 3.47Å; Y112-E121 HydrophobicContact CE1-CB 3.9Å; Y112-E121 PolarHBondContact N-O 3.43Å; Y112-E121 PolarHBondContact O-N 2.93Å; Y112-E121 PolarHBondContact OH-OE2 3.43Å; N114-E121 HydrophobicContact CB-CB 4.5Å; N114-E121 HydrophobicContact CB-CG 4.17Å; N114-E121 VanDerWaalsContact ND2-CD 3.31Å; N114-E121 PolarHBondContact ND2-OE1 3.49Å; N114-E121 PolarHBondContact ND2-OE2 2.86Å; S117-E121 VanDerWaalsContact CB-OE1 3.26Å; S117-E121 WeakPolarHBondContact CB-OE1 3.24Å; S117-E121 PolarHBondContact OG-OE1 2.88Å
122P96.4Very high96.5Very high85 Ų8554.7 Ų54.755%0.55232%0.316SS*.EExtended strand (participates in β ladder)trans-63.7141.9178.428.1-34.3000109.9N110 F111N110-P122 WeakPolarHBondContact O-CA 3.38Å; F111-P122 HydrophobicContact CD1-CB 4.29Å; F111-P122 HydrophobicContact CE1-CB 4.02Å
123C96.7Very high96.5Very high14 Ų1461 Ų6110%0.09534%0.341CS..PPolyproline II helixtrans-62.6141.7175.5-54.50000110.8N110 F111 V125 C136 D141N110-C123 WeakPolarHBondContact CA-SG 3.05Å; N110-C123 PolarHBondContact O-N 3.44Å; N110-C123 PolarHBondContact O-SG 2.95Å; F111-C123 PolarHBondContact N-SG 3.5Å; F111-C123 VanDerWaalsContact N-SG 3.4Å; C123-V125 PolarHBondContact O-N 2.01Å; C123-C136 HydrophobicContact CB-CB 3.52Å; C123-C136 WeakPolarHBondContact CB-SG 3.07Å; C123-C136 WeakPolarHBondContact SG-CB 3.48Å; C123-C136 CovalentContact SG-SG 2.01Å; C123-C136 PolarHBondContact SG-SG 3.39Å; C123-D141 VanDerWaalsContact CA-OD1 3.29Å; C123-D141 WeakPolarHBondContact CA-OD1 3.44Å
124T96.7Very high96.4Very high63 Ų6359.5 Ų59.539%0.38734%0.34SS..PPolyproline II helixtrans-61.8133.2174-68.10000109.9D141 T142T124-D141 WeakPolarHBondContact CB-OD2 2.94Å; T124-D141 PolarHBondContact N-OD1 3.34Å; T124-D141 PolarHBondContact OG1-OD2 3.39Å; T124-T142 WeakPolarHBondContact O-CB 3.48Å; T124-T142 PolarHBondContact O-OG1 3.44Å
125V97Very high96.4Very high70 Ų7063.2 Ų63.242%0.42436%0.357SS..PPolyproline II helixtrans-94126173-1790000107.4C123 E156C123-V125 PolarHBondContact O-N 2.01Å; V125-E156 HydrophobicContact CG1-CB 3.7Å
126C97.9Very high96.5Very high1 Ų159.8 Ų59.81%0.00733%0.332CS..BIsolated β-bridgetrans-72126.4176.3-57.60000109.3Q130 V132 C144 E156 S157C126-Q130 HydrophobicContact CB-CB 4.27Å; C126-V132 HydrophobicContact CB-CG2 4.47Å; C126-C144 WeakPolarHBondContact CA-SG 3.29Å; C126-C144 HydrophobicContact CB-CB 3.81Å; C126-C144 WeakPolarHBondContact CB-SG 3.12Å; C126-C144 VanDerWaalsContact SG-CA 3.54Å; C126-C144 WeakPolarHBondContact SG-CB 3.38Å; C126-C144 CovalentContact SG-SG 2.04Å; C126-C144 PolarHBondContact SG-SG 3.3Å; C126-E156 CarbonylContact O-C 3.48Å; C126-E156 WeakPolarHBondContact O-CA 3.07Å; C126-S157 WeakPolarHBondContact CB-O 3.33Å; C126-S157 PolarHBondContact N-O 3.41Å; C126-S157 PolarHBondContact O-N 3.41Å; C126-S157 VanDerWaalsContact O-N 3.07Å
127P97.8Very high96.4Very high54 Ų5454.9 Ų54.935%0.35131%0.308SS..PPolyproline II helixtrans-71.2171.5-18030.9-36.9000111.9G129 Q130P127-G129 PolarHBondContact O-N 3.47Å; P127-Q130 HydrophobicContact CG-CB 4.16Å; P127-Q130 HydrophobicContact CG-CG 4.1Å; P127-Q130 VanDerWaalsContact CG-OE1 3.25Å; P127-Q130 PolarHBondContact O-N 2.73Å; P127-Q130 VanDerWaalsContact O-O 3.09Å
128L97.3Very high96.5Very high89 Ų8953.9 Ų53.947%0.46630%0.3SS..THydrogen-bonded Turntrans-50.6135.9170.3-62174.6000111Q130 D154 R155 E156 I182L128-Q130 PolarHBondContact O-N 2.61Å; L128-D154 VanDerWaalsContact CD2-O 3.24Å; L128-D154 WeakPolarHBondContact CD2-O 3.26Å; L128-R155 VanDerWaalsContact CD2-CA 3.46Å; L128-E156 HydrophobicContact CG-CG 4.38Å; L128-I182 HydrophobicContact CB-CG2 4.07Å
129G96.6Very high96.5Very high10 Ų1057.7 Ų57.710%0.10330%0.301CS..THydrogen-bonded Turntrans84-4.9-177.400000114.3P127 C147 S153 P181P127-G129 PolarHBondContact O-N 3.47Å; G129-C147 PolarHBondContact O-N 2.79Å; G129-S153 PolarHBondContact N-O 3.28Å; G129-S153 VanDerWaalsContact N-O 3.15Å; G129-P181 VanDerWaalsContact CA-O 3.31Å; G129-P181 WeakPolarHBondContact CA-O 3.28Å
130Q98.2Very high96.6Very high53 Ų5356.9 Ų56.925%0.24830%0.297CS..EExtended strand (participates in β ladder)trans-121.3142.8172.6-63.5-171.4-22.500110.9C126 P127 L128 C144 E145 E146 S153C126-Q130 HydrophobicContact CB-CB 4.27Å; P127-Q130 HydrophobicContact CG-CB 4.16Å; P127-Q130 HydrophobicContact CG-CG 4.1Å; P127-Q130 VanDerWaalsContact CG-OE1 3.25Å; P127-Q130 PolarHBondContact O-N 2.73Å; P127-Q130 VanDerWaalsContact O-O 3.09Å; L128-Q130 PolarHBondContact O-N 2.61Å; Q130-C144 HydrophobicContact CB-CB 4.34Å; Q130-E145 CarbonylContact C-O 3.42Å; Q130-E145 WeakPolarHBondContact CA-O 3.38Å; Q130-E145 VanDerWaalsContact CB-O 3.26Å; Q130-E145 WeakPolarHBondContact CB-O 3.19Å; Q130-E146 HydrophobicContact CG-CG 4.28Å; Q130-S153 WeakPolarHBondContact O-CB 3.31Å; Q130-S153 PolarHBondContact O-OG 3.44Å
131G97.1Very high96.5Very high0 Ų058 Ų580%030%0.302CS..EExtended strand (participates in β ladder)trans-114.1160.7175.400000111.4Y133 C144 E145 C162G131-Y133 PolarHBondContact O-N 3.43Å; G131-C144 CarbonylContact O-C 3.55Å; G131-C144 WeakPolarHBondContact O-CA 3.33Å; G131-E145 PolarHBondContact N-O 3.49Å; G131-E145 PolarHBondContact O-N 2.78Å; G131-C162 PolarHBondContact N-SG 2.9Å; G131-C162 VanDerWaalsContact N-SG 3.41Å
132V97.8Very high96.5Very high5 Ų555.6 Ų55.63%0.0329%0.291CS..EExtended strand (participates in β ladder)trans-73.3114173.5179.30000110.3C126 S134 T142 Y158 E160 P161C126-V132 HydrophobicContact CB-CG2 4.47Å; V132-S134 WeakPolarHBondContact CG1-O 3.04Å; V132-T142 HydrophobicContact CG1-CG2 3.95Å; V132-T142 HydrophobicContact CG2-CG2 3.99Å; V132-Y158 VanDerWaalsContact CG2-C 3.4Å; V132-E160 WeakPolarHBondContact CG2-O 3.38Å; V132-E160 PolarHBondContact N-O 3.2Å; V132-P161 WeakPolarHBondContact O-CB 3.4Å
133Y96.8Very high96.6Very high164 Ų16456 Ų5664%0.64329%0.288SS*.EExtended strand (participates in β ladder)trans-82.2-45.3170.6177.4-103.2000111.5G131 I143 E145G131-Y133 PolarHBondContact O-N 3.43Å; Y133-I143 WeakPolarHBondContact CB-O 3.49Å; Y133-I143 HydrophobicContact CD1-CG2 4.16Å; Y133-I143 PolarHBondContact N-O 2.73Å; Y133-E145 VanDerWaalsContact CD2-OE2 3.29Å; Y133-E145 WeakPolarHBondContact CD2-OE2 3.07Å
134S96.3Very high96.6Very high49 Ų4957 Ų5734%0.34330%0.295SS..EExtended strand (participates in β ladder)trans-130.8128.4175.1-173.70000109.8V132 T142 I143V132-S134 WeakPolarHBondContact CG1-O 3.04Å; S134-T142 WeakPolarHBondContact O-CA 3.47Å; S134-I143 PolarHBondContact N-O 2.99Å; S134-I143 PolarHBondContact O-N 3.11Å
135H95.5Very high96.7Very high105 Ų10557.8 Ų57.849%0.48629%0.294SS..  trans-65.8148.5176.4-61.5-61.6000111.3L159H135-L159 PolarHBondContact CE1-O 2.87Å; H135-L159 VanDerWaalsContact CE1-O 3.28Å
136C95.7Very high96.7Very high31 Ų3161 Ų6121%0.20930%0.304CS..  trans-62.1136.4168.7-167.50000111.2C123 H140 T142C123-C136 HydrophobicContact CB-CB 3.52Å; C123-C136 WeakPolarHBondContact CB-SG 3.07Å; C123-C136 WeakPolarHBondContact SG-CB 3.48Å; C123-C136 CovalentContact SG-SG 2.01Å; C123-C136 PolarHBondContact SG-SG 3.39Å; C136-H140 PolarHBondContact SG-O 2.8Å; C136-T142 WeakPolarHBondContact CB-OG1 3.3Å
137D94.4Very high96.7Very high58 Ų5861.1 Ų61.131%0.3131%0.306SS..  trans-125.7172.817377.249.1000109.9Y112 Y139 H140Y112-D137 VanDerWaalsContact CB-O 3.24Å; Y112-D137 WeakPolarHBondContact CB-O 3.23Å; D137-Y139 PolarHBondContact O-N 3.09Å; D137-Y139 VanDerWaalsContact OD1-CA 3.28Å; D137-Y139 WeakPolarHBondContact OD1-CA 3.49Å; D137-Y139 WeakPolarHBondContact OD1-CB 3.27Å; D137-Y139 PolarHBondContact OD1-N 2.98Å; D137-H140 VanDerWaalsContact CG-ND1 3.34Å; D137-H140 PolarHBondContact N-O 2.91Å; D137-H140 PolarHBondContact O-N 2.04Å; D137-H140 IonicContact OD1-CG 3.74Å; D137-H140 PolarHBondContact OD1-N 2.98Å; D137-H140 IonicContact OD1-ND1 3.11Å; D137-H140 PolarHBondContact OD1-ND1 3.5Å; D137-H140 VanDerWaalsContact OD1-ND1 3.11Å; D137-H140 IonicContact OD2-CE1 3.9Å; D137-H140 IonicContact OD2-CG 3.56Å; D137-H140 IonicContact OD2-ND1 2.8Å; D137-H140 PolarHBondContact OD2-ND1 2.86Å
138P95.9Very high96.6Very high28 Ų2862.7 Ų62.718%0.18231%0.314CS..SBendtrans-63.1-11.5-176.1-19.831.6000115V106 F113V106-P138 HydrophobicContact CB-CB 3.85Å; V106-P138 HydrophobicContact CB-CG 4.47Å; V106-P138 HydrophobicContact CG1-CB 4.45Å; V106-P138 HydrophobicContact CG2-CB 4.25Å; V106-P138 HydrophobicContact CG2-CG 4.4Å; F113-P138 WeakPolarHBondContact CB-O 3.04Å; F113-P138 PolarHBondContact N-O 3.07Å
139Y94.3Very high96.3Very high126 Ų12665.6 Ų65.649%0.49433%0.33SS..SBendtrans-120-19.2-174.7-52.1-75.6000113.1E94 V106 D137E94-Y139 PolarHBondContact OE2-OH 2.04Å; V106-Y139 WeakPolarHBondContact CG1-OH 3.26Å; D137-Y139 PolarHBondContact O-N 3.09Å; D137-Y139 VanDerWaalsContact OD1-CA 3.28Å; D137-Y139 WeakPolarHBondContact OD1-CA 3.49Å; D137-Y139 WeakPolarHBondContact OD1-CB 3.27Å; D137-Y139 PolarHBondContact OD1-N 2.98Å
140H95.2Very high96.2Very high117 Ų11771.9 Ų71.954%0.54236%0.357SS..SBendtrans-134.2141.2-176.8-48.797.6000112.1C136 D137C136-H140 PolarHBondContact SG-O 2.8Å; D137-H140 VanDerWaalsContact CG-ND1 3.34Å; D137-H140 PolarHBondContact N-O 2.91Å; D137-H140 PolarHBondContact O-N 2.04Å; D137-H140 IonicContact OD1-CG 3.74Å; D137-H140 PolarHBondContact OD1-N 2.98Å; D137-H140 IonicContact OD1-ND1 3.11Å; D137-H140 PolarHBondContact OD1-ND1 3.5Å; D137-H140 VanDerWaalsContact OD1-ND1 3.11Å; D137-H140 IonicContact OD2-CE1 3.9Å; D137-H140 IonicContact OD2-CG 3.56Å; D137-H140 IonicContact OD2-ND1 2.8Å; D137-H140 PolarHBondContact OD2-ND1 2.86Å
141D96.8Very high96.1Very high37 Ų3771 Ų7120%0.19836%0.355CS..  trans-71.3163.5176.7-162.39.5000112.5Y112 C123 T124 I143Y112-D141 HydrophobicContact CD1-CB 3.78Å; Y112-D141 HydrophobicContact CD2-CB 4.11Å; Y112-D141 HydrophobicContact CE1-CB 3.57Å; Y112-D141 WeakPolarHBondContact CE1-OD1 3.22Å; Y112-D141 HydrophobicContact CE2-CB 3.92Å; Y112-D141 HydrophobicContact CG-CB 4.04Å; C123-D141 VanDerWaalsContact CA-OD1 3.29Å; C123-D141 WeakPolarHBondContact CA-OD1 3.44Å; T124-D141 WeakPolarHBondContact CB-OD2 2.94Å; T124-D141 PolarHBondContact N-OD1 3.34Å; T124-D141 PolarHBondContact OG1-OD2 3.39Å; D141-I143 PolarHBondContact O-N 3.08Å
142T96.7Very high96.2Very high8 Ų871.7 Ų71.75%0.04936%0.358CS..  trans-57.8135166.9-47.60000110.1T124 V132 S134 C136T124-T142 WeakPolarHBondContact O-CB 3.48Å; T124-T142 PolarHBondContact O-OG1 3.44Å; V132-T142 HydrophobicContact CG1-CG2 3.95Å; V132-T142 HydrophobicContact CG2-CG2 3.99Å; S134-T142 WeakPolarHBondContact O-CA 3.47Å; C136-T142 WeakPolarHBondContact CB-OG1 3.3Å
143I97.4Very high96.2Very high93 Ų9371.6 Ų71.648%0.47736%0.358SS..EExtended strand (participates in β ladder)trans-107.3123.1170.1-56.3177.5000108.1Y133 S134 D141Y133-I143 WeakPolarHBondContact CB-O 3.49Å; Y133-I143 HydrophobicContact CD1-CG2 4.16Å; Y133-I143 PolarHBondContact N-O 2.73Å; S134-I143 PolarHBondContact N-O 2.99Å; S134-I143 PolarHBondContact O-N 3.11Å; D141-I143 PolarHBondContact O-N 3.08Å
144C98.1Very high96.2Very high36 Ų3667.4 Ų67.424%0.24335%0.346CS..EExtended strand (participates in β ladder)trans-100.3144.5178.7-550000111.1C126 Q130 G131C126-C144 WeakPolarHBondContact CA-SG 3.29Å; C126-C144 HydrophobicContact CB-CB 3.81Å; C126-C144 WeakPolarHBondContact CB-SG 3.12Å; C126-C144 VanDerWaalsContact SG-CA 3.54Å; C126-C144 WeakPolarHBondContact SG-CB 3.38Å; C126-C144 CovalentContact SG-SG 2.04Å; C126-C144 PolarHBondContact SG-SG 3.3Å; Q130-C144 HydrophobicContact CB-CB 4.34Å; G131-C144 CarbonylContact O-C 3.55Å; G131-C144 WeakPolarHBondContact O-CA 3.33Å
145E97.1Very high96.1Very high80 Ų8070.7 Ų70.737%0.37435%0.351SS..EExtended strand (participates in β ladder)trans-124.1153.7172.167.8-176.9161.700110.9Q130 G131 Y133Q130-E145 CarbonylContact C-O 3.42Å; Q130-E145 WeakPolarHBondContact CA-O 3.38Å; Q130-E145 VanDerWaalsContact CB-O 3.26Å; Q130-E145 WeakPolarHBondContact CB-O 3.19Å; G131-E145 PolarHBondContact N-O 3.49Å; G131-E145 PolarHBondContact O-N 2.78Å; Y133-E145 VanDerWaalsContact CD2-OE2 3.29Å; Y133-E145 WeakPolarHBondContact CD2-OE2 3.07Å
146E98.1Very high96.2Very high136 Ų13672.1 Ų72.164%0.63636%0.358SS*.EExtended strand (participates in β ladder)trans-75.5137.8174.5-64.1-176.7164.200110.7Q130 V148Q130-E146 HydrophobicContact CG-CG 4.28Å; E146-V148 PolarHBondContact O-N 2.92Å
147C97.9Very high96.1Very high5 Ų571.4 Ų71.43%0.03435%0.353CS..  trans-75.2114.8175.8-57.40000110.2G129 T151 C162 P181G129-C147 PolarHBondContact O-N 2.79Å; C147-T151 WeakPolarHBondContact CB-OG1 3.43Å; C147-C162 WeakPolarHBondContact CA-SG 3.42Å; C147-C162 HydrophobicContact CB-CB 3.87Å; C147-C162 WeakPolarHBondContact CB-SG 3.31Å; C147-C162 WeakPolarHBondContact SG-CB 3.43Å; C147-C162 CovalentContact SG-SG 2.05Å; C147-C162 PolarHBondContact SG-SG 2.77Å; C147-P181 HydrophobicContact CB-CB 4.28Å
148V95.7Very high95.9Very high87 Ų8772.3 Ų72.353%0.52735%0.353SS..  trans-123.7172.9178.9-61.80000110.1E146 T151E146-V148 PolarHBondContact O-N 2.92Å; V148-T151 PolarHBondContact N-OG1 2.87Å; V148-T151 WeakPolarHBondContact O-CB 3.24Å; V148-T151 WeakPolarHBondContact O-CG2 3.47Å; V148-T151 PolarHBondContact O-N 3.15Å; V148-T151 PolarHBondContact O-OG1 2.9Å
149D91.2Very high95.8Very high149 Ų14975.4 Ų75.480%0.79737%0.367SS*.SBendtrans53.957171.3-59.2-35.6000115.1T151D149-T151 PolarHBondContact O-N 3.33Å
150E93.3Very high95.9Very high143 Ų14372 Ų7267%0.66836%0.356SS*.SBendtrans59.145-180-52.8-60.713400113C165E150-C165 PolarHBondContact O-N 2.96Å; E150-C165 PolarHBondContact O-SG 3.29Å
151T97.6Very high96Very high34 Ų3469.4 Ų69.421%0.20935%0.35CS..EExtended strand (participates in β ladder)trans-127156.717067.50000111.6C147 V148 D149 L163C147-T151 WeakPolarHBondContact CB-OG1 3.43Å; V148-T151 PolarHBondContact N-OG1 2.87Å; V148-T151 WeakPolarHBondContact O-CB 3.24Å; V148-T151 WeakPolarHBondContact O-CG2 3.47Å; V148-T151 PolarHBondContact O-N 3.15Å; V148-T151 PolarHBondContact O-OG1 2.9Å; D149-T151 PolarHBondContact O-N 3.33Å; T151-L163 CarbonylContact C-O 3.47Å; T151-L163 WeakPolarHBondContact CA-O 3.18Å; T151-L163 VanDerWaalsContact CB-O 3.3Å; T151-L163 WeakPolarHBondContact CB-O 3.35Å
152F97.8Very high96Very high14 Ų1468.7 Ų68.76%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-143.9159.3-179.777.9-79.7000112.9D154 L163 T180 P181 D184F152-D154 HydrophobicContact CD2-CB 4.07Å; F152-D154 HydrophobicContact CE2-CB 3.98Å; F152-L163 HydrophobicContact CD1-CB 4.42Å; F152-L163 WeakPolarHBondContact CD1-O 3.41Å; F152-L163 HydrophobicContact CE1-CB 4.06Å; F152-L163 HydrophobicContact CZ-CB 4.3Å; F152-L163 PolarHBondContact N-O 2.86Å; F152-L163 PolarHBondContact O-N 3.06Å; F152-T180 WeakPolarHBondContact CB-O 3.44Å; F152-P181 CarbonylContact C-O 3.57Å; F152-P181 WeakPolarHBondContact CA-O 3.26Å; F152-D184 HydrophobicContact CD1-CB 4.08Å; F152-D184 HydrophobicContact CD2-CB 4.33Å; F152-D184 HydrophobicContact CE1-CB 3.57Å; F152-D184 VanDerWaalsContact CE1-CG 3.45Å; F152-D184 HydrophobicContact CE2-CB 3.85Å; F152-D184 HydrophobicContact CG-CB 4.45Å; F152-D184 HydrophobicContact CZ-CB 3.45Å; F152-D184 VanDerWaalsContact CZ-CB 3.45Å
153S98.2Very high96Very high4 Ų471.4 Ų71.43%0.02836%0.361CS..  trans-137.6108.6170.9177.60000108.9G129 Q130 R155 P181G129-S153 PolarHBondContact N-O 3.28Å; G129-S153 VanDerWaalsContact N-O 3.15Å; Q130-S153 WeakPolarHBondContact O-CB 3.31Å; Q130-S153 PolarHBondContact O-OG 3.44Å; S153-R155 PolarHBondContact OG-O 2.97Å; S153-P181 PolarHBondContact N-O 3.19Å
154D96.7Very high96.1Very high75 Ų7571.8 Ų71.840%0.40137%0.369SS..  trans-91.80.8-17274.3-12.5000114.3L128 F152 I182L128-D154 VanDerWaalsContact CD2-O 3.24Å; L128-D154 WeakPolarHBondContact CD2-O 3.26Å; F152-D154 HydrophobicContact CD2-CB 4.07Å; F152-D154 HydrophobicContact CE2-CB 3.98Å; D154-I182 WeakPolarHBondContact CA-O 3.22Å
155R95.6Very high96Very high118 Ų11870.7 Ų70.745%0.44536%0.362SS..SBendtrans-147.8156.8-178.370.8-170.973.8166.1-8.1112.2L128 S153 E160L128-R155 VanDerWaalsContact CD2-CA 3.46Å; S153-R155 PolarHBondContact OG-O 2.97Å; R155-E160 WeakPolarHBondContact CD-OE2 3.4Å; R155-E160 WeakPolarHBondContact CG-OE2 3.17Å; R155-E160 IonicContact CZ-OE1 3.73Å; R155-E160 IonicContact CZ-OE2 3.62Å; R155-E160 IonicContact NE-OE1 3.94Å; R155-E160 IonicContact NE-OE2 3.3Å; R155-E160 PolarHBondContact NE-OE2 3.4Å; R155-E160 IonicContact NH1-OE1 2.92Å; R155-E160 PolarHBondContact NH1-OE1 2.97Å; R155-E160 IonicContact NH1-OE2 3.58Å
156E96.8Very high95.9Very high135 Ų13570.2 Ų70.263%0.63137%0.365SS*.  trans-77.2123.8171.7-56-175171.800109.8V125 C126 L128V125-E156 HydrophobicContact CG1-CB 3.7Å; C126-E156 CarbonylContact O-C 3.48Å; C126-E156 WeakPolarHBondContact O-CA 3.07Å; L128-E156 HydrophobicContact CG-CG 4.38Å
157S93.3Very high95.7Very high16 Ų1671 Ų7111%0.11237%0.372CS..BIsolated β-bridgetrans-149.5147.1-174.5-171.50000112.9C126 L159 E160C126-S157 WeakPolarHBondContact CB-O 3.33Å; C126-S157 PolarHBondContact N-O 3.41Å; C126-S157 PolarHBondContact O-N 3.41Å; C126-S157 VanDerWaalsContact O-N 3.07Å; S157-L159 PolarHBondContact OG-N 2.83Å; S157-L159 VanDerWaalsContact OG-N 3.09Å; S157-E160 PolarHBondContact OG-N 2.87Å
158Y91.1Very high95.5Very high77 Ų7771.7 Ų71.730%0.30238%0.376SS..SBendtrans-100.13.1169.362-89.7000112N110 V132N110-Y158 PolarHBondContact ND2-OH 3.32Å; N110-Y158 WeakPolarHBondContact OD1-CE2 3.3Å; V132-Y158 VanDerWaalsContact CG2-C 3.4Å
159L92.9Very high95.3Very high93 Ų9373.5 Ų73.549%0.48738%0.379SS..SBendtrans-126.5-25.5179.6-61.6176.1000115.2H135 S157 P161H135-L159 PolarHBondContact CE1-O 2.87Å; H135-L159 VanDerWaalsContact CE1-O 3.28Å; S157-L159 PolarHBondContact OG-N 2.83Å; S157-L159 VanDerWaalsContact OG-N 3.09Å; L159-P161 WeakPolarHBondContact O-CD 3.46Å
160E95.8Very high95Very high56 Ų5675.5 Ų75.526%0.26238%0.384SS..PPolyproline II helixtrans-88.2119.9-171.4-67.3-173.7-174.700110.7V132 R155 S157V132-E160 WeakPolarHBondContact CG2-O 3.38Å; V132-E160 PolarHBondContact N-O 3.2Å; R155-E160 WeakPolarHBondContact CD-OE2 3.4Å; R155-E160 WeakPolarHBondContact CG-OE2 3.17Å; R155-E160 IonicContact CZ-OE1 3.73Å; R155-E160 IonicContact CZ-OE2 3.62Å; R155-E160 IonicContact NE-OE1 3.94Å; R155-E160 IonicContact NE-OE2 3.3Å; R155-E160 PolarHBondContact NE-OE2 3.4Å; R155-E160 IonicContact NH1-OE1 2.92Å; R155-E160 PolarHBondContact NH1-OE1 2.97Å; R155-E160 IonicContact NH1-OE2 3.58Å; S157-E160 PolarHBondContact OG-N 2.87Å
161P97.2Very high94.5Very high62 Ų6276.4 Ų76.440%0.40339%0.393SS..PPolyproline II helixtrans-73.7172.2169.833.4-35.5000110.7V132 L159 L163V132-P161 WeakPolarHBondContact O-CB 3.4Å; L159-P161 WeakPolarHBondContact O-CD 3.46Å; P161-L163 PolarHBondContact O-N 3.35Å
162C97.9Very high94Very high22 Ų2278.8 Ų78.815%0.14940%0.404CS..PPolyproline II helixtrans-59.7127.6171.3-66.80000110.1G131 C147G131-C162 PolarHBondContact N-SG 2.9Å; G131-C162 VanDerWaalsContact N-SG 3.41Å; C147-C162 WeakPolarHBondContact CA-SG 3.42Å; C147-C162 HydrophobicContact CB-CB 3.87Å; C147-C162 WeakPolarHBondContact CB-SG 3.31Å; C147-C162 WeakPolarHBondContact SG-CB 3.43Å; C147-C162 CovalentContact SG-SG 2.05Å; C147-C162 PolarHBondContact SG-SG 2.77Å
163L97.5Very high93.7Very high65 Ų6581 Ų8134%0.3441%0.414SS..EExtended strand (participates in β ladder)trans-92.8140.6-178.4-61.2179.6000109.8T151 F152 P161T151-L163 CarbonylContact C-O 3.47Å; T151-L163 WeakPolarHBondContact CA-O 3.18Å; T151-L163 VanDerWaalsContact CB-O 3.3Å; T151-L163 WeakPolarHBondContact CB-O 3.35Å; F152-L163 HydrophobicContact CD1-CB 4.42Å; F152-L163 WeakPolarHBondContact CD1-O 3.41Å; F152-L163 HydrophobicContact CE1-CB 4.06Å; F152-L163 HydrophobicContact CZ-CB 4.3Å; F152-L163 PolarHBondContact N-O 2.86Å; F152-L163 PolarHBondContact O-N 3.06Å; P161-L163 PolarHBondContact O-N 3.35Å
164P97.8Very high93.3Very high100 Ų10083.6 Ų83.665%0.64943%0.43SS*.EExtended strand (participates in β ladder)trans-65.4139.2174.829-34.2000110.3
165C96.9Very high93Very high14 Ų1484.8 Ų84.810%0.09543%0.433CS..PPolyproline II helixtrans-65.7148.4174.2-53.40000111.1E150 C179 D184E150-C165 PolarHBondContact O-N 2.96Å; E150-C165 PolarHBondContact O-SG 3.29Å; C165-C179 HydrophobicContact CB-CB 3.6Å; C165-C179 WeakPolarHBondContact CB-SG 3.1Å; C165-C179 WeakPolarHBondContact SG-CB 3.09Å; C165-C179 CovalentContact SG-SG 2Å; C165-C179 PolarHBondContact SG-SG 2.81Å; C165-D184 VanDerWaalsContact CA-OD1 3.26Å; C165-D184 WeakPolarHBondContact CA-OD1 3.44Å
166T95.3Very high92.9Very high69 Ų6984.7 Ų84.742%0.42344%0.441SS..PPolyproline II helixtrans-61.8136.5167.3-61.90000109.2D184 S185T166-D184 WeakPolarHBondContact CB-OD2 3.29Å; T166-D184 PolarHBondContact N-OD1 3.28Å; T166-D184 PolarHBondContact OG1-OD2 3.28Å; T166-S185 PolarHBondContact O-OG 2.96Å
167I93.5Very high92.8Very high152 Ų15280.1 Ų80.178%0.77943%0.427SS*.  trans-105.2117.1176.4-58.2174.4000107.6
168C92.7Very high92.8Very high20 Ų2086.7 Ų86.714%0.13546%0.456CS..  trans-76.7132177.1-50.70000110.4E170 E173 Q175 C187C168-E170 PolarHBondContact O-N 3.25Å; C168-E173 HydrophobicContact CB-CB 4.28Å; C168-Q175 HydrophobicContact CB-CB 4.44Å; C168-C187 WeakPolarHBondContact CA-SG 3.38Å; C168-C187 HydrophobicContact CB-CB 3.85Å; C168-C187 WeakPolarHBondContact CB-SG 3.28Å; C168-C187 WeakPolarHBondContact SG-CA 3.43Å; C168-C187 WeakPolarHBondContact SG-CB 3.17Å; C168-C187 CovalentContact SG-SG 2.04Å; C168-C187 PolarHBondContact SG-SG 2.85Å
169E92.4Very high93.1Very high125 Ų12584.2 Ų84.258%0.58445%0.449SS*.  trans-76.1114.5175.6-72.2-176.6-158.900110.8D171 I172 E173E169-D171 PolarHBondContact O-N 3.46Å; E169-I172 HydrophobicContact CB-CD1 3.94Å; E169-I172 HydrophobicContact CB-CG1 3.47Å; E169-I172 VanDerWaalsContact CB-CG1 3.47Å; E169-I172 HydrophobicContact CG-CD1 4.37Å; E169-I172 HydrophobicContact CG-CG1 4.41Å; E169-I172 PolarHBondContact O-N 2.77Å; E169-I172 VanDerWaalsContact O-N 3.12Å; E169-I172 WeakPolarHBondContact OE2-CD1 3.24Å; E169-I172 WeakPolarHBondContact OE2-CG1 3.42Å; E169-E173 PolarHBondContact O-N 3.31Å
170E83.9Confident93.2Very high191 Ų19182.3 Ų82.389%0.89344%0.441SS*.THydrogen-bonded Turntrans-53.5-29.8-172.5-64.7-179.6-176.400114.6C168C168-E170 PolarHBondContact O-N 3.25Å
171D83.3Confident93.3Very high163 Ų16382.8 Ų82.887%0.87245%0.449SS*.THydrogen-bonded Turntrans-87.7-17.6-175.1-71-39.4000114.4E169E169-D171 PolarHBondContact O-N 3.46Å
172I87.1Confident93.3Very high83 Ų8384.3 Ų84.343%0.42645%0.453SS..THydrogen-bonded Turntrans-128.9-21.2-172.756.4158.7000114E169 M190E169-I172 HydrophobicContact CB-CD1 3.94Å; E169-I172 HydrophobicContact CB-CG1 3.47Å; E169-I172 VanDerWaalsContact CB-CG1 3.47Å; E169-I172 HydrophobicContact CG-CD1 4.37Å; E169-I172 HydrophobicContact CG-CG1 4.41Å; E169-I172 PolarHBondContact O-N 2.77Å; E169-I172 VanDerWaalsContact O-N 3.12Å; E169-I172 WeakPolarHBondContact OE2-CD1 3.24Å; E169-I172 WeakPolarHBondContact OE2-CG1 3.42Å; I172-M190 PolarHBondContact O-N 3.38Å
173E91.6Very high93.2Very high60 Ų6085.5 Ų85.528%0.2846%0.462SS..EExtended strand (participates in β ladder)trans-127.1141.6-175.7-69.5-179.1163.700111.1C168 E169 C187 H188C168-E173 HydrophobicContact CB-CB 4.28Å; E169-E173 PolarHBondContact O-N 3.31Å; E173-C187 HydrophobicContact CB-CB 4.21Å; E173-C187 HydrophobicContact CG-CB 4.49Å; E173-C187 VanDerWaalsContact OE2-CB 3.29Å; E173-C187 WeakPolarHBondContact OE2-CB 3.33Å; E173-H188 CarbonylContact C-O 3.44Å; E173-H188 WeakPolarHBondContact CA-O 3.35Å
174T89.9Confident93.2Very high60 Ų6084.7 Ų84.737%0.36846%0.458SS..EExtended strand (participates in β ladder)trans-104.7127.3172.1-52.80000108.9L176 H188 M190T174-L176 PolarHBondContact O-N 2.82Å; T174-H188 PolarHBondContact N-O 3.27Å; T174-H188 PolarHBondContact O-N 3.38Å; T174-M190 WeakPolarHBondContact OG1-CE 3.43Å
175Q91.2Very high93.1Very high100 Ų10080.2 Ų80.247%0.46743%0.429SS..EExtended strand (participates in β ladder)trans-71117.1173.8-171.3171.82100109.9C168 A177C168-Q175 HydrophobicContact CB-CB 4.44Å; Q175-A177 VanDerWaalsContact CG-O 3.22Å; Q175-A177 WeakPolarHBondContact CG-O 3.2Å; Q175-A177 PolarHBondContact NE2-O 3.05Å
176L92.3Very high93Very high115 Ų11583.1 Ų83.160%0.60245%0.446SS*.EExtended strand (participates in β ladder)trans-90.8-29176.8-64.1-176.3000112.5T174 V186 H188T174-L176 PolarHBondContact O-N 2.82Å; L176-V186 HydrophobicContact CB-CB 4.45Å; L176-V186 HydrophobicContact CB-CG1 4.32Å; L176-V186 HydrophobicContact CD1-CG1 4.46Å; L176-V186 PolarHBondContact N-O 3.25Å; L176-H188 HydrophobicContact CD1-CB 3.6Å; L176-H188 HydrophobicContact CD2-CB 4.15Å; L176-H188 HydrophobicContact CG-CB 3.68Å
177A94.4Very high93Very high40 Ų4081.5 Ų81.533%0.33144%0.437SS..EExtended strand (participates in β ladder)trans-140.5137176.300000110Q175 S185 V186Q175-A177 VanDerWaalsContact CG-O 3.22Å; Q175-A177 WeakPolarHBondContact CG-O 3.2Å; Q175-A177 PolarHBondContact NE2-O 3.05Å; A177-S185 WeakPolarHBondContact O-CA 3.14Å; A177-V186 HydrophobicContact CB-CB 3.97Å; A177-V186 HydrophobicContact CB-CG2 3.98Å; A177-V186 PolarHBondContact O-N 3.43Å; A177-V186 VanDerWaalsContact O-N 3.11Å
178E94.2Very high92.9Very high154 Ų15478.4 Ų78.472%0.7242%0.419SS*.  trans-73.4152.7173.8-67.3176-171.900110.8
179C96.6Very high92.7Very high25 Ų2580.2 Ų80.217%0.16943%0.432CS..  trans-70.4143.1173.6-158.90000110.5C165 S183C165-C179 HydrophobicContact CB-CB 3.6Å; C165-C179 WeakPolarHBondContact CB-SG 3.1Å; C165-C179 WeakPolarHBondContact SG-CB 3.09Å; C165-C179 CovalentContact SG-SG 2Å; C165-C179 PolarHBondContact SG-SG 2.81Å; C179-S183 PolarHBondContact SG-O 2.93Å
180T96.1Very high91.8Very high52 Ų5280.4 Ų80.432%0.31943%0.434SS..BIsolated β-bridgetrans-131.9163.5171.778.60000109F152 I182 S183F152-T180 WeakPolarHBondContact CB-O 3.44Å; T180-I182 PolarHBondContact O-N 3.08Å; T180-I182 VanDerWaalsContact OG1-CG1 3.24Å; T180-I182 WeakPolarHBondContact OG1-CG1 3.08Å; T180-I182 PolarHBondContact OG1-N 3.29Å; T180-S183 PolarHBondContact N-O 2.83Å; T180-S183 PolarHBondContact O-N 2.83Å; T180-S183 VanDerWaalsContact O-N 3.08Å; T180-S183 PolarHBondContact OG1-N 3.3Å; T180-S183 PolarHBondContact OG1-OG 2.05Å
181P96.9Very high91Very high66 Ų6676.5 Ų76.543%0.42942%0.424SS..THydrogen-bonded Turntrans-54.4-22.4175.7-28.536.6000114.1G129 C147 F152 S153G129-P181 VanDerWaalsContact CA-O 3.31Å; G129-P181 WeakPolarHBondContact CA-O 3.28Å; C147-P181 HydrophobicContact CB-CB 4.28Å; F152-P181 CarbonylContact C-O 3.57Å; F152-P181 WeakPolarHBondContact CA-O 3.26Å; S153-P181 PolarHBondContact N-O 3.19Å
182I97.3Very high89.4Confident95 Ų9572.5 Ų72.549%0.48741%0.413SS..THydrogen-bonded Turntrans-105.9-6.6-177.763.4169.6000114.2L128 D154 T180L128-I182 HydrophobicContact CB-CG2 4.07Å; D154-I182 WeakPolarHBondContact CA-O 3.22Å; T180-I182 PolarHBondContact O-N 3.08Å; T180-I182 VanDerWaalsContact OG1-CG1 3.24Å; T180-I182 WeakPolarHBondContact OG1-CG1 3.08Å; T180-I182 PolarHBondContact OG1-N 3.29Å
183S96.5Very high87.7Confident47 Ų4773.6 Ų73.633%0.32943%0.426SS..BIsolated β-bridgetrans-152.8137.8-172.7680000112.6C179 T180C179-S183 PolarHBondContact SG-O 2.93Å; T180-S183 PolarHBondContact N-O 2.83Å; T180-S183 PolarHBondContact O-N 2.83Å; T180-S183 VanDerWaalsContact O-N 3.08Å; T180-S183 PolarHBondContact OG1-N 3.3Å; T180-S183 PolarHBondContact OG1-OG 2.05Å
184D97.3Very high85.4Confident47 Ų4774.4 Ų74.425%0.25144%0.438SS..  trans-63.8159.2173.8-1572.7000112.6F152 C165 T166F152-D184 HydrophobicContact CD1-CB 4.08Å; F152-D184 HydrophobicContact CD2-CB 4.33Å; F152-D184 HydrophobicContact CE1-CB 3.57Å; F152-D184 VanDerWaalsContact CE1-CG 3.45Å; F152-D184 HydrophobicContact CE2-CB 3.85Å; F152-D184 HydrophobicContact CG-CB 4.45Å; F152-D184 HydrophobicContact CZ-CB 3.45Å; F152-D184 VanDerWaalsContact CZ-CB 3.45Å; C165-D184 VanDerWaalsContact CA-OD1 3.26Å; C165-D184 WeakPolarHBondContact CA-OD1 3.44Å; T166-D184 WeakPolarHBondContact CB-OD2 3.29Å; T166-D184 PolarHBondContact N-OD1 3.28Å; T166-D184 PolarHBondContact OG1-OD2 3.28Å
185S95.3Very high83.5Confident7 Ų777.5 Ų77.55%0.04946%0.459CS..  trans-67.4149.2164.888.30000110.5T166 A177T166-S185 PolarHBondContact O-OG 2.96Å; A177-S185 WeakPolarHBondContact O-CA 3.14Å
186V95.6Very high81.3Confident74 Ų7481.3 Ų81.345%0.44847%0.474SS..EExtended strand (participates in β ladder)trans-116.7113.4179.4-179.70000109.4L176 A177L176-V186 HydrophobicContact CB-CB 4.45Å; L176-V186 HydrophobicContact CB-CG1 4.32Å; L176-V186 HydrophobicContact CD1-CG1 4.46Å; L176-V186 PolarHBondContact N-O 3.25Å; A177-V186 HydrophobicContact CB-CB 3.97Å; A177-V186 HydrophobicContact CB-CG2 3.98Å; A177-V186 PolarHBondContact O-N 3.43Å; A177-V186 VanDerWaalsContact O-N 3.11Å
187C94.6Very high79.2Confident35 Ų3583.8 Ų83.824%0.23648%0.482CS..EExtended strand (participates in β ladder)trans-97140.2178.8-48.50000111.4C168 E173C168-C187 WeakPolarHBondContact CA-SG 3.38Å; C168-C187 HydrophobicContact CB-CB 3.85Å; C168-C187 WeakPolarHBondContact CB-SG 3.28Å; C168-C187 WeakPolarHBondContact SG-CA 3.43Å; C168-C187 WeakPolarHBondContact SG-CB 3.17Å; C168-C187 CovalentContact SG-SG 2.04Å; C168-C187 PolarHBondContact SG-SG 2.85Å; E173-C187 HydrophobicContact CB-CB 4.21Å; E173-C187 HydrophobicContact CG-CB 4.49Å; E173-C187 VanDerWaalsContact OE2-CB 3.29Å; E173-C187 WeakPolarHBondContact OE2-CB 3.33Å
188H92.7Very high76.9Confident87 Ų8788.5 Ų88.540%0.40351%0.507SS..EExtended strand (participates in β ladder)trans-122118.7175.8-178.271000111.2E173 T174 L176 M190E173-H188 CarbonylContact C-O 3.44Å; E173-H188 WeakPolarHBondContact CA-O 3.35Å; T174-H188 PolarHBondContact N-O 3.27Å; T174-H188 PolarHBondContact O-N 3.38Å; L176-H188 HydrophobicContact CD1-CB 3.6Å; L176-H188 HydrophobicContact CD2-CB 4.15Å; L176-H188 HydrophobicContact CG-CB 3.68Å; H188-M190 PolarHBondContact O-N 3.47Å
189S87.3Confident74.4Confident58 Ų5890.8 Ų90.841%0.40651%0.509SS..EExtended strand (participates in β ladder)trans-78.4118.617652.70000111.1T191S189-T191 PolarHBondContact O-N 2.93Å
190M73.1Confident72.1Confident130 Ų130100.1 Ų100.164%0.6454%0.541SS*.SBendtrans-70.9-7.1176.6-73.4-85.2164.900112.6I172 T174 H188I172-M190 PolarHBondContact O-N 3.38Å; T174-M190 WeakPolarHBondContact OG1-CE 3.43Å; H188-M190 PolarHBondContact O-N 3.47Å
191T66.9Low69.4Low109 Ų109106.1 Ų106.167%0.66956%0.563SS**  trans-123.662-174.4-34.80000112.4S189 P193S189-T191 PolarHBondContact O-N 2.93Å; T191-P193 WeakPolarHBondContact O-CD 3.46Å
192A49.8Very low66.7Low78 Ų78110.2 Ų110.265%0.64558%0.576SS**  trans-102.493.7152.600000108.6S194A192-S194 PolarHBondContact O-N 3.3Å
193P52.1Low64Low106 Ų106111.8 Ų111.869%0.68859%0.593SS**  trans-57.4112.215723.4-28.8000106.5T191T191-P193 WeakPolarHBondContact O-CD 3.46Å
194S44Very low61.3Low77 Ų77115.6 Ų115.654%0.53861%0.614SS.*  trans-40127.1161.455.30000107.5A192 K196A192-S194 PolarHBondContact O-N 3.3Å; S194-K196 PolarHBondContact O-N 2.91Å
195P48.6Very low58.6Low126 Ų126122.7 Ų122.782%0.81864%0.643SS**  trans-66.587.7172.924.5-29.3000107.6H197P195-H197 PolarHBondContact O-N 3.44Å
196K46.6Very low55.5Low179 Ų179128.1 Ų128.178%0.77868%0.679SS**  trans-73.161.2160.8-71-178-177.4177.30107.7S194S194-K196 PolarHBondContact O-N 2.91Å
197H46.8Very low52.7Low168 Ų168133.2 Ų133.278%0.77870%0.698SS**  trans-128.287.5154.7-94-62.7000107.4P195 R199P195-H197 PolarHBondContact O-N 3.44Å; H197-R199 PolarHBondContact O-N 2.9Å
198T46.8Very low50.1Low138 Ų138136.9 Ų136.985%0.84772%0.724SS**  trans-57.776.7154.6-33.20000108.4R200T198-R200 PolarHBondContact O-N 3.4Å
199R42.1Very low47.6Very low203 Ų203138.4 Ų138.477%0.76674%0.742SS**  trans-84.498.6149.5-93.2-156-92.3-124.9-0.5106.4H197 F201H197-R199 PolarHBondContact O-N 2.9Å; R199-F201 HydrophobicContact CB-CD2 4.13Å; R199-F201 HydrophobicContact CB-CE2 4.18Å; R199-F201 PolarHBondContact O-N 2.97Å
200R47.2Very low45.3Very low221 Ų221140.8 Ų140.883%0.83476%0.759SS**  trans-48.392.6159.4178.7-172.9-85.4-138-3.4108.2T198T198-R200 PolarHBondContact O-N 3.4Å
201F39.6Very low44.1Very low178 Ų178139.9 Ų139.978%0.78176%0.762SS**  trans-96.2112.1156-86.5-83.5000106.4R199R199-F201 HydrophobicContact CB-CD2 4.13Å; R199-F201 HydrophobicContact CB-CE2 4.18Å; R199-F201 PolarHBondContact O-N 2.97Å
202Q40.8Very low42.7Very low151 Ų151140.7 Ų140.771%0.70677%0.77SS**  trans-53.4146.7170.2-78.6166.4-19.100109.9T204Q202-T204 VanDerWaalsContact C-N 3.34Å; Q202-T204 PolarHBondContact O-N 3.5Å
203P39.9Very low42.4Very low129 Ų129143.7 Ų143.784%0.83878%0.779SS**  trans-71.595.216729.7-29.5000108K205P203-K205 PolarHBondContact O-N 3.28Å; P203-K205 VanDerWaalsContact O-N 3.11Å
204T39.3Very low41.4Very low126 Ų126144.4 Ų144.477%0.77379%0.787SS**  trans-66.8106.4158.72.80000106.8Q202 C206Q202-T204 VanDerWaalsContact C-N 3.34Å; Q202-T204 PolarHBondContact O-N 3.5Å; T204-C206 PolarHBondContact O-N 2.85Å
205K41.5Very low41.3Very low197 Ų197145.4 Ų145.486%0.85779%0.794SS**  trans-50.4110.4160.3-94.7176.7172.5176.40108P203P203-K205 PolarHBondContact O-N 3.28Å; P203-K205 VanDerWaalsContact O-N 3.11Å
206C30.3Very low40.6Very low121 Ų121149 Ų14982%0.81880%0.8SS**  trans-95.9106.8154.6-75.40000107.1T204 S208T204-C206 PolarHBondContact O-N 2.85Å; C206-S208 PolarHBondContact O-N 3.42Å
207Q35.6Very low40.2Very low180 Ų180146.6 Ų146.684%0.84181%0.805SS**  trans-55.6128.2162.4-72.3166.30.500108.3P209Q207-P209 WeakPolarHBondContact O-CD 3.36Å
208S40.4Very low39.7Very low112 Ų112141.9 Ų141.978%0.78380%0.802SS**  trans-73.6127.5162.938.50000109.2C206C206-S208 PolarHBondContact O-N 3.42Å
209P40.7Very low39.4Very low119 Ų119141.5 Ų141.577%0.77380%0.802SS**  trans-84.4115.1150.76.912.1000107.2Q207Q207-P209 WeakPolarHBondContact O-CD 3.36Å
210S39.8Very low39.1Very low109 Ų109143.7 Ų143.776%0.76281%0.81SS**PPolyproline II helixtrans-55.1134.4165.446.70000111.4
211P46.4Very low39.1Very low111 Ų111138.5 Ų138.572%0.72180%0.803SS**PPolyproline II helixtrans-88.3150156.633.3-27.2000110.2
212P38.7Very low39.3Very low126 Ų126136.4 Ų136.482%0.81880%0.799SS**PPolyproline II helixtrans-73.3143.9179.930.8-32.2000110.9
213V43.2Very low39.6Very low140 Ų140141.2 Ų141.285%0.84881%0.811SS**PPolyproline II helixtrans-66.2125.1163.5169.40000108.4
214S31.6Very low39.9Very low121 Ų121141.1 Ų141.185%0.84681%0.808SS**  trans-155.5124.8145.2-102.60000110.6
215S40.3Very low40.1Very low99 Ų99143 Ų14369%0.69281%0.805SS**  trans-65.7129.8-178.843.60000114.3
216H34.2Very low40.1Very low202 Ų202143.4 Ų143.494%0.93581%0.808SS**  trans-149.7122.8146.9-88.3-62.9000110.3
217S40Very low40.7Very low128 Ų128148.5 Ų148.590%0.89581%0.81SS**  trans-96.2124.5-178480000111.2
218G34.8Very low41.1Very low68 Ų68147 Ų14770%0.70180%0.803SS**  trans-171139.8168.500000110.1
219P41.3Very low41Very low130 Ų130151 Ų15184%0.84481%0.806SS**  trans-90.1145.7-154.734.6-33.2000113.1
220R35Very low40.9Very low250 Ų250153.3 Ų153.394%0.94381%0.806SS**  trans-120.2117.2166.9-165.2175.1-84.7-157.2-3.7109.8
221V48.1Very low41.2Very low112 Ų112157.9 Ų157.968%0.67981%0.807SS**  trans-68.6158.3174.4-159.10000109.8
222D43.8Very low40.9Very low133 Ų133160.4 Ų160.471%0.71181%0.809SS**  trans80.496164.1-59.7-40.3000119.6
223R46.4Very low40.9Very low252 Ų252162.1 Ų162.195%0.95181%0.806SS**  trans-159.859.4138.4-112.5179.1-160.4-153.15112.5
224V46.7Very low40.7Very low127 Ų127162.5 Ų162.577%0.7780%0.803SS**  trans-13069.7164.8-171.40000108
225F43.7Very low41.3Very low165 Ų165164.1 Ų164.172%0.72480%0.801SS**SBendtrans-142.814.6174.8-109-73.6000114.6
226F41.1Very low41.3Very low206 Ų206164.1 Ų164.190%0.90480%0.801SS**SBendtrans-122.22.6179.3-92.7-79.6000115.5
227R42.2Very low41.9Very low228 Ų228162.9 Ų162.986%0.8680%0.796SS**SBendtrans-103.82.8-177.3-140.4176.8-176.9171.4-0.5114.8
228E45.7Very low41.9Very low148 Ų148163.2 Ų163.269%0.69279%0.792SS**SBendtrans-95.9-22.7-172.4-141.4157.2-161.200113.2Q230E228-Q230 VanDerWaalsContact C-N 3.32Å; E228-Q230 PolarHBondContact O-N 3.48Å
229K36.8Very low42.2Very low197 Ų197167.1 Ų167.186%0.85780%0.797SS**THydrogen-bonded Turntrans-77.8-13.5-178.2-152.8175.8-178-177.70114.3
230Q38.7Very low42.2Very low167 Ų167170.1 Ų170.178%0.7880%0.799SS**THydrogen-bonded Turntrans-101.2-6.2-173.3-140.2173.9-5.900114.1E228E228-Q230 VanDerWaalsContact C-N 3.32Å; E228-Q230 PolarHBondContact O-N 3.48Å
231R46.3Very low42.1Very low206 Ų206166.5 Ų166.578%0.77779%0.79SS**SBendtrans-84.3-19.4179.6-166-177.6-77.5-173.4-5.1113.1
232Q40.5Very low41.4Very low163 Ų163168.1 Ų168.176%0.76280%0.8SS**THydrogen-bonded Turntrans-84.3-13-171.2-148.5152.43.200114.3
233E39.4Very low41.4Very low162 Ų162170 Ų17076%0.75780%0.802SS**THydrogen-bonded Turntrans-88.7-21.2175.7-78.2-169.7138.800114.1
234L38.2Very low41.3Very low149 Ų149166.1 Ų166.178%0.7880%0.8SS**G310 helixtrans-81.4-21.5-176.1-16568.8000113.6S236L234-S236 VanDerWaalsContact C-N 3.27Å; L234-S236 PolarHBondContact O-N 2.92Å
235L44Very low41.2Very low154 Ų154162.8 Ų162.881%0.80679%0.791SS**G310 helixtrans-82.5-0.1179.2-118.498.4000114.1
236S40.5Very low41.4Very low99 Ų99162.7 Ų162.769%0.69279%0.793SS**G310 helixtrans-99.7-0.6-172.8-57.80000114.6L234L234-S236 VanDerWaalsContact C-N 3.27Å; L234-S236 PolarHBondContact O-N 2.92Å
237Q47.2Very low41.6Very low177 Ų177159.9 Ų159.983%0.82779%0.788SS**SBendtrans-118.6-0.4-171.7-73.2-171.48.800117.1
238T39.3Very low41.9Very low134 Ų134155 Ų15582%0.82278%0.783SS**  trans-110.663174.523.10000112.2
239L42.3Very low42Very low151 Ų151154.2 Ų154.279%0.79178%0.783SS**  trans-142.371.5157.6-169.774000110.8
240H39.4Very low42.3Very low193 Ų193152.7 Ų152.789%0.89477%0.772SS**  trans-144.2104.3155.6-80.4-60.7000112.2
241K34.7Very low42.4Very low174 Ų174147.1 Ų147.176%0.75776%0.759SS**  trans92.988138.1-154.6179.1-172.2178.70118.3
242T31.6Very low42.7Very low145 Ų145145.2 Ų145.289%0.8976%0.757SS**  trans-122.9112.9145.3-15.50000108.5D244T242-D244 PolarHBondContact O-N 3.23Å
243K45.6Very low43.5Very low174 Ų174141.6 Ų141.676%0.75774%0.743SS**THydrogen-bonded Turntrans-79.484.7175.2-84-179.5168.3179.90108.7
244D42.9Very low44.5Very low169 Ų169139.3 Ų139.390%0.90473%0.732SS**THydrogen-bonded Turntrans-166.228.9147.5-130.8-8.6000115.3T242T242-D244 PolarHBondContact O-N 3.23Å
245G45Very low45.5Very low57 Ų57137 Ų13759%0.58872%0.72SS**  trans-126.76.9-179.200000115.5N247G245-N247 PolarHBondContact O-N 2.94Å
246Q48.1Very low47Very low163 Ų163133.8 Ų133.876%0.76270%0.704SS**THydrogen-bonded Turntrans-84.4-1.8-167.1-93-176.9-36.800116.2
247N44.3Very low48.5Very low148 Ų148135 Ų13579%0.79170%0.701SS**THydrogen-bonded Turntrans-103.5-8.8-174.1-74.9-11.1000115.5G245G245-N247 PolarHBondContact O-N 2.94Å
248V49Very low49.8Very low125 Ų125129.6 Ų129.676%0.75868%0.681SS**THydrogen-bonded Turntrans-102.1-30.8178.7-175.40000112.1R250V248-R250 VanDerWaalsContact C-N 3.33Å; V248-R250 PolarHBondContact O-N 3.45Å
249L48.5Very low51.7Low132 Ų132127.6 Ų127.669%0.69166%0.664SS**THydrogen-bonded Turntrans-87.96.1178.1-151.573.6000114.4N253L249-N253 PolarHBondContact O-ND2 2.79Å
250R41.6Very low53.6Low164 Ų164127.4 Ų127.462%0.61965%0.654SS**THydrogen-bonded Turntrans-90-20.3176.1-166.3171.1174-162.8-2.3113.1V248 E254V248-R250 VanDerWaalsContact C-N 3.33Å; V248-R250 PolarHBondContact O-N 3.45Å; R250-E254 IonicContact CZ-OE1 3.35Å; R250-E254 IonicContact NE-OE1 2.82Å; R250-E254 PolarHBondContact NE-OE1 2.76Å; R250-E254 IonicContact NH2-OE1 3.16Å; R250-E254 PolarHBondContact NH2-OE1 3.11Å; R250-E254 VanDerWaalsContact NH2-OE1 3.16Å
251G41.7Very low55.5Low50 Ų50121.9 Ų121.952%0.51564%0.637SS.*THydrogen-bonded Turntrans-77.4-26.5-174.700000116
252F52.6Low58Low167 Ų167117.4 Ų117.473%0.73263%0.627SS**THydrogen-bonded Turntrans-93-15.7-177.6-65.6-75.1000113.9
253N57.7Low60.6Low87 Ų87115.6 Ų115.647%0.46561%0.611SS.*THydrogen-bonded Turntrans-96.1-16.3-175.3-74-46000114.6L249 N255L249-N253 PolarHBondContact O-ND2 2.79Å; N253-N255 VanDerWaalsContact C-N 3.28Å; N253-N255 PolarHBondContact O-N 2.96Å
254E60.6Low62.7Low113 Ų113112.7 Ų112.753%0.52860%0.603SS.*THydrogen-bonded Turntrans-76.6-16.7178.2-66.5-176.9171.900112.7R250R250-E254 IonicContact CZ-OE1 3.35Å; R250-E254 IonicContact NE-OE1 2.82Å; R250-E254 PolarHBondContact NE-OE1 2.76Å; R250-E254 IonicContact NH2-OE1 3.16Å; R250-E254 PolarHBondContact NH2-OE1 3.11Å; R250-E254 VanDerWaalsContact NH2-OE1 3.16Å
255N59.6Low64.9Low101 Ų101107.2 Ų107.254%0.5458%0.581SS.*THydrogen-bonded Turntrans-111.9-9.6-179.6-63.3-41.2000113.9N253 P258 I259N253-N255 VanDerWaalsContact C-N 3.28Å; N253-N255 PolarHBondContact O-N 2.96Å; N255-P258 WeakPolarHBondContact O-CD 3.03Å; N255-P258 WeakPolarHBondContact O-CG 3.26Å; N255-I259 HydrophobicContact CB-CD1 4.37Å; N255-I259 WeakPolarHBondContact O-CB 3.45Å; N255-I259 WeakPolarHBondContact O-CD1 3.11Å; N255-I259 WeakPolarHBondContact O-CG1 3.3Å; N255-I259 PolarHBondContact O-N 3.38Å
256L73.8Confident67Low87 Ų87107.5 Ų107.546%0.45558%0.578SS.*Hα-helixtrans-72.1-41.7-176.7-165.667.6000112.3I259 Y260L256-I259 PolarHBondContact O-N 2.66Å; L256-Y260 HydrophobicContact CG-CD2 4.46Å; L256-Y260 PolarHBondContact O-N 2.91Å
257I72.1Confident69.2Low125 Ų125102 Ų10264%0.64157%0.565SS**Hα-helixtrans-63.5-49.7178.8-59.5171.7000112I259 Y260 C261I257-I259 VanDerWaalsContact C-N 3.34Å; I257-I259 PolarHBondContact O-N 3.26Å; I257-Y260 PolarHBondContact O-N 2.91Å; I257-C261 PolarHBondContact O-N 2.67Å; I257-C261 PolarHBondContact O-SG 3.48Å
258P75.3Confident71.5Confident62 Ų6299.3 Ų99.340%0.40355%0.554SS.*Hα-helixtrans-67.2-32178.124.1-33.4000113.3N255 S262N255-P258 WeakPolarHBondContact O-CD 3.03Å; N255-P258 WeakPolarHBondContact O-CG 3.26Å; P258-S262 WeakPolarHBondContact O-CB 3.48Å; P258-S262 PolarHBondContact O-N 3.39Å; P258-S262 PolarHBondContact O-OG 3.46Å
259I80.1Confident73.6Confident92 Ų9298.2 Ų98.247%0.47255%0.547SS..Hα-helixtrans-66-45.9175-69.1168.5000110.6N255 L256 I257 C261 S262 I263N255-I259 HydrophobicContact CB-CD1 4.37Å; N255-I259 WeakPolarHBondContact O-CB 3.45Å; N255-I259 WeakPolarHBondContact O-CD1 3.11Å; N255-I259 WeakPolarHBondContact O-CG1 3.3Å; N255-I259 PolarHBondContact O-N 3.38Å; L256-I259 PolarHBondContact O-N 2.66Å; I257-I259 VanDerWaalsContact C-N 3.34Å; I257-I259 PolarHBondContact O-N 3.26Å; I259-C261 PolarHBondContact O-N 3.29Å; I259-S262 PolarHBondContact O-N 2.72Å; I259-I263 HydrophobicContact CG2-CD1 3.78Å; I259-I263 WeakPolarHBondContact O-CG1 3.49Å; I259-I263 PolarHBondContact O-N 3Å
260Y82Confident75.8Confident148 Ų14893.9 Ų93.958%0.5853%0.534SS*.Hα-helixtrans-60.4-45.9175.6-110-87.9000112.2L256 I257 S262 I263 L264L256-Y260 HydrophobicContact CG-CD2 4.46Å; L256-Y260 PolarHBondContact O-N 2.91Å; I257-Y260 PolarHBondContact O-N 2.91Å; Y260-S262 VanDerWaalsContact C-N 3.28Å; Y260-S262 PolarHBondContact O-N 2.79Å; Y260-I263 PolarHBondContact O-N 2Å; Y260-L264 WeakPolarHBondContact O-CB 3.04Å; Y260-L264 VanDerWaalsContact O-CG 3.3Å; Y260-L264 WeakPolarHBondContact O-CG 3.3Å; Y260-L264 PolarHBondContact O-N 3.1Å
261C79.4Confident78.3Confident77 Ų7790.8 Ų90.852%0.5253%0.53SS..Hα-helixtrans-60.7-37.1176.3-73.40000112.7I257 I259 A265I257-C261 PolarHBondContact O-N 2.67Å; I257-C261 PolarHBondContact O-SG 3.48Å; I259-C261 PolarHBondContact O-N 3.29Å; C261-A265 VanDerWaalsContact O-CB 3.29Å; C261-A265 WeakPolarHBondContact O-CB 3.33Å; C261-A265 PolarHBondContact O-N 3.48Å
262S86.1Confident80.7Confident79 Ų7992.4 Ų92.455%0.55253%0.529SS*.Hα-helixtrans-69.1-40.8178-57.10000112.1P258 I259 Y260 A265 A266P258-S262 WeakPolarHBondContact O-CB 3.48Å; P258-S262 PolarHBondContact O-N 3.39Å; P258-S262 PolarHBondContact O-OG 3.46Å; I259-S262 PolarHBondContact O-N 2.72Å; Y260-S262 VanDerWaalsContact C-N 3.28Å; Y260-S262 PolarHBondContact O-N 2.79Å; S262-A265 PolarHBondContact O-N 3.35Å; S262-A266 WeakPolarHBondContact O-CB 3.29Å; S262-A266 PolarHBondContact O-N 2.94Å
263I87.5Confident82.6Confident108 Ų10886.4 Ų86.455%0.55451%0.511SS*.Hα-helixtrans-68.1-43.2177.7-66.1167.3000110.8I259 Y260 A266 G267I259-I263 HydrophobicContact CG2-CD1 3.78Å; I259-I263 WeakPolarHBondContact O-CG1 3.49Å; I259-I263 PolarHBondContact O-N 3Å; Y260-I263 PolarHBondContact O-N 2Å; I263-A266 PolarHBondContact O-N 3.03Å; I263-G267 PolarHBondContact O-N 3.49Å
264L89.1Confident84.3Confident112 Ų11288.4 Ų88.459%0.58651%0.512SS*.Hα-helixtrans-63.4-42.3176.4-70.4175.5000111.6Y260 A266 G267 V268Y260-L264 WeakPolarHBondContact O-CB 3.04Å; Y260-L264 VanDerWaalsContact O-CG 3.3Å; Y260-L264 WeakPolarHBondContact O-CG 3.3Å; Y260-L264 PolarHBondContact O-N 3.1Å; L264-A266 PolarHBondContact O-N 3.29Å; L264-G267 PolarHBondContact O-N 3.3Å; L264-V268 WeakPolarHBondContact O-CG2 3.31Å; L264-V268 PolarHBondContact O-N 2.98Å
265A88.1Confident85.9Confident54 Ų5488.5 Ų88.545%0.44651%0.512SS..Hα-helixtrans-61.9-43.5174.800000111.9C261 S262 G267 V268 V269C261-A265 VanDerWaalsContact O-CB 3.29Å; C261-A265 WeakPolarHBondContact O-CB 3.33Å; C261-A265 PolarHBondContact O-N 3.48Å; S262-A265 PolarHBondContact O-N 3.35Å; A265-G267 VanDerWaalsContact C-N 3.35Å; A265-G267 PolarHBondContact O-N 3.01Å; A265-V268 PolarHBondContact O-N 3.5Å; A265-V269 VanDerWaalsContact O-CG2 3.31Å; A265-V269 WeakPolarHBondContact O-CG2 3.45Å; A265-V269 PolarHBondContact O-N 2.98Å
266A89.5Confident87.4Confident63 Ų6387.9 Ų87.952%0.52151%0.511SS..Hα-helixtrans-62.4-40.7176.100000112.2S262 I263 L264 V269 G270S262-A266 WeakPolarHBondContact O-CB 3.29Å; S262-A266 PolarHBondContact O-N 2.94Å; I263-A266 PolarHBondContact O-N 3.03Å; L264-A266 PolarHBondContact O-N 3.29Å; A266-V269 PolarHBondContact O-N 3.39Å; A266-G270 PolarHBondContact O-N 2.97Å
267G94Very high88.2Confident48 Ų4890.9 Ų90.950%0.49552%0.521SS..Hα-helixtrans-61.8-44.3174.900000112.7I263 L264 A265 G270 L271I263-G267 PolarHBondContact O-N 3.49Å; L264-G267 PolarHBondContact O-N 3.3Å; A265-G267 VanDerWaalsContact C-N 3.35Å; A265-G267 PolarHBondContact O-N 3.01Å; G267-G270 PolarHBondContact O-N 2.95Å; G267-L271 WeakPolarHBondContact O-CB 3.34Å; G267-L271 PolarHBondContact O-N 3.32Å
268V93.6Very high88.9Confident91 Ų9190.2 Ų90.255%0.55251%0.513SS*.Hα-helixtrans-65.6-43.6177.61740000111.3L264 A265 G270 L271 V272L264-V268 WeakPolarHBondContact O-CG2 3.31Å; L264-V268 PolarHBondContact O-N 2.98Å; A265-V268 PolarHBondContact O-N 3.5Å; V268-G270 VanDerWaalsContact C-N 3.34Å; V268-G270 PolarHBondContact O-N 3.29Å; V268-L271 PolarHBondContact O-N 3Å; V268-V272 WeakPolarHBondContact O-CG2 3.42Å; V268-V272 PolarHBondContact O-N 3.11Å
269V93Very high89.5Confident102 Ų10296.6 Ų96.662%0.61853%0.529SS*.Hα-helixtrans-62.9-42176.4173.20000111A265 A266 L271 V272 A273A265-V269 VanDerWaalsContact O-CG2 3.31Å; A265-V269 WeakPolarHBondContact O-CG2 3.45Å; A265-V269 PolarHBondContact O-N 2.98Å; A266-V269 PolarHBondContact O-N 3.39Å; V269-L271 PolarHBondContact O-N 3.35Å; V269-V272 PolarHBondContact O-N 2.58Å; V269-A273 WeakPolarHBondContact O-CB 3.41Å; V269-A273 PolarHBondContact O-N 3.45Å
270G94.3Very high89.6Confident41 Ų41100.8 Ų100.842%0.42354%0.539SS..Hα-helixtrans-61.2-41.9174.800000112.8A266 G267 V268 A273 Y274A266-G270 PolarHBondContact O-N 2.97Å; G267-G270 PolarHBondContact O-N 2.95Å; V268-G270 VanDerWaalsContact C-N 3.34Å; V268-G270 PolarHBondContact O-N 3.29Å; G270-A273 PolarHBondContact O-N 2.76Å; G270-Y274 WeakPolarHBondContact O-CB 3.44Å; G270-Y274 PolarHBondContact O-N 3.22Å
271L93.7Very high89.4Confident100 Ų10098.2 Ų98.252%0.52454%0.536SS..Hα-helixtrans-64.9-44.6177.2-165.685000111.8G267 V268 V269 Y274 F275G267-L271 WeakPolarHBondContact O-CB 3.34Å; G267-L271 PolarHBondContact O-N 3.32Å; V268-L271 PolarHBondContact O-N 3Å; V269-L271 PolarHBondContact O-N 3.35Å; L271-Y274 WeakPolarHBondContact O-CB 3.06Å; L271-Y274 PolarHBondContact O-N 2.78Å; L271-F275 HydrophobicContact CD1-CE2 4.16Å; L271-F275 HydrophobicContact CD2-CD2 4.47Å; L271-F275 HydrophobicContact CD2-CE2 3.89Å; L271-F275 HydrophobicContact CG-CD2 4.02Å; L271-F275 HydrophobicContact CG-CE2 3.67Å; L271-F275 WeakPolarHBondContact O-CD2 3.19Å; L271-F275 PolarHBondContact O-N 2.04Å
272V93.6Very high89.3Confident83 Ų8398 Ų9850%0.50354%0.535SS..Hα-helixtrans-62.8-45176.4173.40000110.5V268 V269 Y274 F275 V276V268-V272 WeakPolarHBondContact O-CG2 3.42Å; V268-V272 PolarHBondContact O-N 3.11Å; V269-V272 PolarHBondContact O-N 2.58Å; V272-Y274 VanDerWaalsContact C-N 3.34Å; V272-Y274 PolarHBondContact O-N 3.4Å; V272-F275 PolarHBondContact O-N 3.43Å; V272-V276 WeakPolarHBondContact O-CG2 3.09Å; V272-V276 PolarHBondContact O-N 3.46Å
273A91.6Very high88.4Confident42 Ų4297.9 Ų97.935%0.34753%0.533SS..Hα-helixtrans-60.1-43.8175.100000111.3V269 G270 F275 V276 F277V269-A273 WeakPolarHBondContact O-CB 3.41Å; V269-A273 PolarHBondContact O-N 3.45Å; G270-A273 PolarHBondContact O-N 2.76Å; A273-F275 PolarHBondContact O-N 3.44Å; A273-V276 PolarHBondContact O-N 2.83Å; A273-F277 WeakPolarHBondContact O-CB 3.29Å; A273-F277 VanDerWaalsContact O-CD2 3.28Å; A273-F277 WeakPolarHBondContact O-CD2 3.38Å; A273-F277 PolarHBondContact O-N 3.33Å
274Y93.9Very high87.6Confident128 Ų12899.3 Ų99.350%0.50254%0.536SS..Hα-helixtrans-58.1-45.3175.2174-95.6000112.1G270 L271 V272 F277 K278G270-Y274 WeakPolarHBondContact O-CB 3.44Å; G270-Y274 PolarHBondContact O-N 3.22Å; L271-Y274 WeakPolarHBondContact O-CB 3.06Å; L271-Y274 PolarHBondContact O-N 2.78Å; V272-Y274 VanDerWaalsContact C-N 3.34Å; V272-Y274 PolarHBondContact O-N 3.4Å; Y274-F277 PolarHBondContact O-N 3.42Å; Y274-K278 HydrophobicContact CE1-CD 3.86Å; Y274-K278 WeakPolarHBondContact O-CB 3.34Å; Y274-K278 PolarHBondContact O-N 3.27Å
275F92.9Very high86.1Confident116 Ų116101.2 Ų101.251%0.50954%0.541SS..Hα-helixtrans-66.2-37.7176.8-78.4-64.9000112.9L271 V272 A273 R279L271-F275 HydrophobicContact CD1-CE2 4.16Å; L271-F275 HydrophobicContact CD2-CD2 4.47Å; L271-F275 HydrophobicContact CD2-CE2 3.89Å; L271-F275 HydrophobicContact CG-CD2 4.02Å; L271-F275 HydrophobicContact CG-CE2 3.67Å; L271-F275 WeakPolarHBondContact O-CD2 3.19Å; L271-F275 PolarHBondContact O-N 2.04Å; V272-F275 PolarHBondContact O-N 3.43Å; A273-F275 PolarHBondContact O-N 3.44Å; F275-R279 WeakPolarHBondContact O-CB 3.49Å; F275-R279 PolarHBondContact O-N 2.84Å
276V91.8Very high84.8Confident88 Ų88104.8 Ų104.853%0.53355%0.553SS.*Hα-helixtrans-66.8-44.7175173.50000110.7V272 A273 R279 W280V272-V276 WeakPolarHBondContact O-CG2 3.09Å; V272-V276 PolarHBondContact O-N 3.46Å; A273-V276 PolarHBondContact O-N 2.83Å; V276-R279 PolarHBondContact O-N 2.84Å; V276-W280 WeakPolarHBondContact O-CB 3.22Å; V276-W280 PolarHBondContact O-N 3.33Å
277F90Very high83.3Confident150 Ų150110.2 Ų110.266%0.65857%0.565SS**Hα-helixtrans-63.8-43.4175.2-90.6-74.8000111.6A273 Y274 W280 N281A273-F277 WeakPolarHBondContact O-CB 3.29Å; A273-F277 VanDerWaalsContact O-CD2 3.28Å; A273-F277 WeakPolarHBondContact O-CD2 3.38Å; A273-F277 PolarHBondContact O-N 3.33Å; Y274-F277 PolarHBondContact O-N 3.42Å; F277-W280 PolarHBondContact O-N 3.42Å; F277-N281 VanDerWaalsContact O-CB 3.31Å; F277-N281 WeakPolarHBondContact O-CB 3.49Å; F277-N281 PolarHBondContact O-N 3.35Å
278K88.4Confident81.5Confident111 Ų111116.7 Ų116.748%0.48358%0.582SS.*Hα-helixtrans-61.9-45.5176.2-170.9171.8-175168.20110.7Y274 N281 S282Y274-K278 HydrophobicContact CE1-CD 3.86Å; Y274-K278 WeakPolarHBondContact O-CB 3.34Å; Y274-K278 PolarHBondContact O-N 3.27Å; K278-N281 PolarHBondContact O-N 2.77Å; K278-S282 WeakPolarHBondContact O-CB 3.07Å; K278-S282 PolarHBondContact O-N 3.19Å; K278-S282 PolarHBondContact O-OG 3.16Å; K278-S282 VanDerWaalsContact O-OG 3.06Å
279R86.9Confident79.5Confident195 Ų195116.9 Ų116.974%0.73659%0.585SS**Hα-helixtrans-66.7-37.3176.7-165172-175170.41.1112.2F275 V276 C283F275-R279 WeakPolarHBondContact O-CB 3.49Å; F275-R279 PolarHBondContact O-N 2.84Å; V276-R279 PolarHBondContact O-N 2.84Å; R279-C283 WeakPolarHBondContact O-CB 3.36Å; R279-C283 PolarHBondContact O-N 2.82Å; R279-C283 PolarHBondContact O-SG 2.67Å
280W81.8Confident77.3Confident180 Ų180116.1 Ų116.168%0.68259%0.59SS**Hα-helixtrans-65.7-44.2173.8-177.6-83.8000111.5V276 F277 C283 K284V276-W280 WeakPolarHBondContact O-CB 3.22Å; V276-W280 PolarHBondContact O-N 3.33Å; F277-W280 PolarHBondContact O-N 3.42Å; W280-C283 PolarHBondContact O-N 2.88Å; W280-K284 WeakPolarHBondContact O-CB 3.08Å; W280-K284 PolarHBondContact O-N 2.94Å
281N77.8Confident75.4Confident95 Ų95121.4 Ų121.451%0.50861%0.609SS.*Hα-helixtrans-69.2-37.9178.8-131.818.6000111.3F277 K278 K284 Q285F277-N281 VanDerWaalsContact O-CB 3.31Å; F277-N281 WeakPolarHBondContact O-CB 3.49Å; F277-N281 PolarHBondContact O-N 3.35Å; K278-N281 PolarHBondContact O-N 2.77Å; N281-K284 PolarHBondContact O-N 3.18Å; N281-Q285 VanDerWaalsContact O-CG 3.3Å; N281-Q285 WeakPolarHBondContact O-CG 3.48Å; N281-Q285 PolarHBondContact O-N 3.43Å
282S77.9Confident73.4Confident73 Ų73124.3 Ų124.351%0.5163%0.625SS.*Hα-helixtrans-61.6-42.3170.5-66.60000112K278 K284 N286K278-S282 WeakPolarHBondContact O-CB 3.07Å; K278-S282 PolarHBondContact O-N 3.19Å; K278-S282 PolarHBondContact O-OG 3.16Å; K278-S282 VanDerWaalsContact O-OG 3.06Å; S282-K284 VanDerWaalsContact C-N 3.34Å; S282-N286 WeakPolarHBondContact O-CB 3.35Å; S282-N286 PolarHBondContact O-N 2.88Å; S282-N286 VanDerWaalsContact O-N 3.08Å
283C67.3Low71.3Confident75 Ų75131.6 Ų131.651%0.50764%0.643SS.*Hα-helixtrans-69-30.3174.6-73.50000113.2R279 W280R279-C283 WeakPolarHBondContact O-CB 3.36Å; R279-C283 PolarHBondContact O-N 2.82Å; R279-C283 PolarHBondContact O-SG 2.67Å; W280-C283 PolarHBondContact O-N 2.88Å
284K71.1Confident69.2Low139 Ų139134.4 Ų134.460%0.60467%0.666SS**Hα-helixtrans-71.6-41.6175.9-170179.6179-174.30111.4W280 N281 S282 N286 K287W280-K284 WeakPolarHBondContact O-CB 3.08Å; W280-K284 PolarHBondContact O-N 2.94Å; N281-K284 PolarHBondContact O-N 3.18Å; S282-K284 VanDerWaalsContact C-N 3.34Å; K284-N286 VanDerWaalsContact C-N 3.34Å; K284-K287 PolarHBondContact O-N 3.12Å
285Q56.1Low67Low151 Ų151132.5 Ų132.571%0.70668%0.677SS**Hα-helixtrans-66.6-34.5174.6-69.5-78.517.900111.9N281 K287N281-Q285 VanDerWaalsContact O-CG 3.3Å; N281-Q285 WeakPolarHBondContact O-CG 3.48Å; N281-Q285 PolarHBondContact O-N 3.43Å; Q285-K287 VanDerWaalsContact C-N 3.29Å; Q285-K287 PolarHBondContact O-N 3.49Å
286N61.8Low64.4Low129 Ų129133.5 Ų133.569%0.6969%0.693SS**THydrogen-bonded Turntrans-79-3.6-179.5-156.634.9000114.9S282 K284S282-N286 WeakPolarHBondContact O-CB 3.35Å; S282-N286 PolarHBondContact O-N 2.88Å; S282-N286 VanDerWaalsContact O-N 3.08Å; K284-N286 VanDerWaalsContact C-N 3.34Å
287K58.3Low61.8Low178 Ų178135.5 Ų135.577%0.77470%0.701SS**THydrogen-bonded Turntrans-95.20.9177.8-82.7-173.1177.4-174.80114.7K284 Q285K284-K287 PolarHBondContact O-N 3.12Å; Q285-K287 VanDerWaalsContact C-N 3.29Å; Q285-K287 PolarHBondContact O-N 3.49Å
288Q56.6Low59.2Low183 Ų183136 Ų13686%0.85571%0.71SS**SBendtrans-112.433.4176.2-68.8-150.5-15.600116.6
289P50.3Low56.8Low95 Ų95138.6 Ų138.662%0.61772%0.724SS**SBendtrans-140.640152.440.2-24.8000114.6
290A47.8Very low54.1Low87 Ų87137.1 Ų137.172%0.71973%0.727SS**SBendtrans-110.1-9.5176.800000115.4
291N53.6Low51.8Low152 Ų152135.5 Ų135.581%0.81374%0.737SS**SBendtrans-97.42.1-177-152.728.5000115.3
292N51.6Low49.7Very low161 Ų161136.3 Ų136.386%0.86175%0.746SS**SBendtrans-108.910.1-177.6-71-6.5000114.3
293R50Low48.7Very low235 Ų235138 Ų13889%0.88776%0.755SS**SBendtrans-109.16.5-176.4-119.6-177.5-176.7110-0.4115.8
294A46.3Very low47.3Very low101 Ų101143.8 Ų143.884%0.83577%0.774SS**SBendtrans-106.628.6-176.700000114.6
295A48.1Very low45.7Very low88 Ų88140.4 Ų140.473%0.72778%0.779SS**  trans-153.962.4176.800000113.5
296T38.1Very low45Very low137 Ų137140.9 Ų140.984%0.8478%0.781SS**  trans-159.289.7154.121.20000109.4
297N37.8Very low43.9Very low131 Ų131142.5 Ų142.570%0.70178%0.782SS**  trans10.3125.7132.1-148.410.9000116.6
298N36.3Very low43.2Very low161 Ų161140 Ų14086%0.86178%0.777SS**  trans-161.298.7140.5-91.4-28000111.5
299Q36.5Very low42.3Very low165 Ų165139.3 Ų139.377%0.77177%0.773SS**  20.4112.3129.8-141.893.313.100119
300M31.9Very low42Very low164 Ų164140 Ų14081%0.80878%0.78SS**  trans-10.2129.2142.3-175.5170.3-172.200119
301V32.9Very low41.6Very low145 Ų145142.9 Ų142.988%0.87978%0.783SS**  -160.2132.3126.4178.20000109.8
302T33.9Very low41.5Very low113 Ų113141.1 Ų141.169%0.69378%0.783SS**  trans-113179.4170.416.40000109.5
303P56.7Low40.9Very low109 Ų109136.9 Ų136.971%0.70878%0.777SS**  cis-139.1-162.5-1932.4-8.4000113.2
304E36.9Very low40.4Very low195 Ų195133.5 Ų133.591%0.91178%0.775SS**  trans130.7123.8154.1-58.6-133.7148.900110.2
305G38Very low39.9Very low69 Ų69133.2 Ų133.271%0.71177%0.767SS**  cis176.9138.3-0.900000109.6
306E41.8Very low39.4Very low160 Ų160135.3 Ų135.375%0.74877%0.771SS**  trans67.1116144.7-56.2-158.898.500122.2
307K38Very low39.3Very low163 Ų163135.3 Ų135.371%0.70977%0.765SS**  93.9139.698.5-87.6-175.3165.5130.50112.5
308L44.4Very low39.4Very low125 Ų125134 Ų13465%0.65476%0.762SS**  cis-164.4129.2-0-98.1147.8000103.7
309H37.2Very low39.5Very low169 Ų169134.9 Ų134.978%0.78276%0.761SS**  63119.795.3-78.7113.7000117.8
310S44Very low39.2Very low109 Ų109132 Ų13276%0.76276%0.759SS**  trans95.7147.1136.7-51.60000118.3
311D38.8Very low39.1Very low148 Ų148130.6 Ų130.679%0.79175%0.754SS**  cis179.7166.1-25.5-156.7-11.8000104.8
312S51.3Low39.2Very low115 Ų115130.9 Ų130.980%0.80475%0.746SS**  trans82.8123170.8-38.40000115.7
313G39.1Very low39Very low72 Ų72131.7 Ų131.774%0.74275%0.746SS**  cis143.91449.100000108.2
314I40.9Very low37.8Very low165 Ų165134 Ų13485%0.84675%0.747SS**  trans166124139-163.7137.6000112.5
315S36.1Very low37.6Very low94 Ų94130.7 Ų130.766%0.65773%0.732SS**  trans36.9123.5153.960.70000121.8
316V37.4Very low37.2Very low133 Ų133134.1 Ų134.181%0.80673%0.73SS**  68.6126.561.4-175.10000110.6
317D35.8Very low36.9Very low136 Ų136132.9 Ų132.973%0.72772%0.724SS**  cis-162.5159.89.5-135.7-56.2000109.9
318T39.1Very low36.8Very low103 Ų103132.3 Ų132.363%0.63272%0.724SS**  trans36.4130.9138.1-67.10000125.2
319Q38.4Very low36.2Very low180 Ų180135 Ų13584%0.84173%0.733SS**  trans58.6126.4150.8-75.2168.634.500120.9
320S30.2Very low36.1Very low105 Ų105130.4 Ų130.473%0.73472%0.723SS**  167.3164.791.6-163.30000111.8
321L31.1Very low35.5Very low134 Ų134133.1 Ų133.170%0.70272%0.724SS**  trans-39.8160.8177.1-83.5102.4000118.2
322Q33.8Very low35.1Very low152 Ų152130.5 Ų130.571%0.7172%0.723SS**  trans96113.9131.5-95.2167.6-45.500119.6
323D30.3Very low34Very low129 Ų129132.9 Ų132.969%0.6972%0.721SS**  75.5139.9122.2-94.2-41.7000119.8
324Q31.5Very low33.5Very low157 Ų157133.8 Ų133.873%0.73472%0.722SS**  trans71.3143.9155-71.7-167-30.800116.8
325Q31.9Very low33Very low127 Ų127134.2 Ų134.259%0.59372%0.721SS**  cis-165.1151.8-1.4-128.6170.6-44.200106.6
326Q31Very low32.8Very low140 Ų140135.6 Ų135.665%0.65473%0.727SS**  trans31.7131.9132.7-85.1170.7-47.500121.3
327Q34.9Very low32.4Very low135 Ų135137.4 Ų137.463%0.63173%0.727SS**  114.2115.7122.4-92.1170.2-42.600118.3
328Q34.8Very low32.7Very low151 Ų151136.1 Ų136.171%0.70673%0.726SS**  trans70.5130.7134.3-70.8164.2-24.400115.7
329H32.1Very low32Very low182 Ų182136.4 Ų136.484%0.84373%0.732SS**  -161.1161.568-90.9-127.2000107.7
330A36.7Very low31.4Very low71 Ų71139.3 Ų139.359%0.58774%0.735SS**  cis-175.7131.1-1100000107
331Q30.2Very low31.2Very low166 Ų166138.6 Ų138.678%0.77673%0.731SS**  42.5124.7127.3-73.7175.9-81.400121.9E333Q331-E333 PolarHBondContact NE2-OE2 3.02Å
332A30.9Very low31Very low93 Ų93140.8 Ų140.877%0.76974%0.737SS**  -175.9114.197.700000108.1
333E27.5Very low30.8Very low165 Ų165139.2 Ų139.277%0.77174%0.738SS**  53.7135.583.4-80.8177.494.900113.7Q331Q331-E333 PolarHBondContact NE2-OE2 3.02Å
334A28.9Very low30.8Very low91 Ų91142 Ų14275%0.75275%0.747SS**  cis-166.9158.2-10.200000107.4
335Q29.7Very low31Very low175 Ų175143.9 Ų143.982%0.81876%0.755SS**  trans-20163172.2-98.4166.4-100.700121.6
336P32.7Very low31Very low122 Ų122145.5 Ų145.579%0.79276%0.763SS**  cis-144.716543.333.3-8.9000119.5
337Q29.1Very low31.2Very low172 Ų172146.8 Ų146.880%0.80477%0.772SS**  trans-61.5178168.7-88.5-174.7-39.500113.8
338P41.3Very low31.2Very low109 Ų109144.8 Ų144.871%0.70877%0.769SS**  cis-140.3174.17.729.6-5.7000116.7
339S24.6Very low31.3Very low109 Ų109143.7 Ų143.776%0.76277%0.773SS**  150.1134120.258.70000117.7
340R27.1Very low31.3Very low240 Ų240145.1 Ų145.191%0.90677%0.771SS**  trans66.5146.3153.6-78-174.9171172.8-2.4119.1
341S24.3Very low31.2Very low91 Ų91148.3 Ų148.364%0.63678%0.783SS**  cis179.1166.41.740.90000108.7
342H28.6Very low31.6Very low179 Ų179147.5 Ų147.583%0.82978%0.783SS**  trans113.2133.6167.3-79.7-76.9000114.3
343T29.3Very low31.7Very low119 Ų119146.1 Ų146.173%0.7378%0.778SS**  cis-164.3141.1-19.1-37.50000104.2
344Q30.1Very low32Very low189 Ų189144 Ų14488%0.88378%0.782SS**  trans-116.6122.9168.6-167.9170.925.500108.1
345E35.7Very low32.9Very low196 Ų196145.8 Ų145.892%0.91679%0.786SS**  trans-84.8154.6174.5-122.3-177119.300111.2
346Q32.7Very low33.5Very low161 Ų161146.6 Ų146.675%0.75279%0.789SS**  trans-112.3138-152.6-170.3-177.8300109.8V348Q346-V348 HydrophobicContact CG-CG2 3.91Å
347I34.4Very low34.2Very low166 Ų166145.8 Ų145.885%0.85179%0.785SS**  trans-121.6111.8162.5-63.7174.1000108.1
348V34.6Very low34.6Very low94 Ų94145 Ų14557%0.5779%0.786SS**PPolyproline II helixtrans-92.1120.9178.1177.10000108.5Q346Q346-V348 HydrophobicContact CG-CG2 3.91Å
349V36.1Very low34.6Very low127 Ų127145.5 Ų145.577%0.7779%0.792SS**PPolyproline II helixtrans-99.2116.9163-179.30000107.8
350R32.4Very low36.1Very low212 Ų212146 Ų14680%0.879%0.792SS**PPolyproline II helixtrans-70.9131.5171.7-79.8-177.816787.3-1.2109.5
351V36Very low37.5Very low139 Ų139140.3 Ų140.384%0.84279%0.786SS**  trans-97.5110.3165.2169.90000106.6
352D38Very low38.8Very low148 Ų148141.7 Ų141.779%0.79179%0.794SS**  trans-105.7118.8163.7-90.8-63.7000108.2
353G33.5Very low40.1Very low64 Ų64142.8 Ų142.866%0.6680%0.799SS**  trans-94138.617000000110.5
354S33.8Very low41.4Very low121 Ų121147.4 Ų147.485%0.84683%0.826SS**  trans-154.2125.9160.6-72.10000108.8
355P46.9Very low42Very low129 Ų129145.3 Ų145.384%0.83882%0.823SS**  trans-101140.3171.833.7-25.3000111.5
356Q42.5Very low42.3Very low191 Ų191142.6 Ų142.689%0.89382%0.819SS**  trans-150.6161.8167.7-117-160.9-27.300110.4
357P47Very low42.9Very low106 Ų106141.6 Ų141.669%0.68882%0.822SS**  -121.5172.5-11131.5-11.9000114.8
358D38.5Very low43.4Very low155 Ų155140.2 Ų140.283%0.82982%0.821SS**  trans-33.5146.6170.6-73.1-70.1000118
359S40.7Very low43.9Very low119 Ų119143.1 Ų143.183%0.83284%0.836SS**  trans-179.6161.1138.5-73.30000110.6
360P55.6Low44.5Very low120 Ų120144.1 Ų144.178%0.77984%0.841SS**  -123.9-174.7-80.129.8-6.4000112.5
361P56.5Low45.3Very low120 Ų120139.3 Ų139.378%0.77984%0.844SS**  trans-106.1-169.2-165.147.9-38.6000112.9
362P52.8Low46Very low121 Ų121139.3 Ų139.379%0.78684%0.844SS**  -93.1160.1-123.426.8-4.7000114.7
363E55.3Low46.7Very low202 Ų202138.6 Ų138.694%0.94485%0.848SS**  trans-76.4150.6166.8-86.5-179.6124.100112.3
364V57.2Low47.9Very low215 Ų215145.4 Ų145.4100%1.30387%0.865SS**  trans-680-166.5173.50000114.4

Retrieved 364 of 364 residues in 106.1 ms (Link to these results)