A0A096N4S7_PAPAN Loading...

TNF receptor superfamily member 9

AlphaFold DB , UniProt , Accession A0A096N4S7, Species PAPAN (Papio anubis, Olive baboon), Gene TNFRSF9, Length 254 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.3Low68.3Low215 Ų215114.5 Ų114.5100%1.05959%0.589SS**  0-40.30-69.2174.8-17400113.5N3 S4M1-N3 PolarHBondContact O-N 2.89Å; M1-S4 PolarHBondContact O-N 3.43Å
2R51.9Low69.3Low233 Ų233113.3 Ų113.388%0.87958%0.583SS**Hα-helixtrans-58.4-33.3-178.1-162.7166.672.3-163.94.6116.2
3N56.5Low69.9Low125 Ų125111.9 Ų111.967%0.66858%0.577SS**Hα-helixtrans-76.8-23.3-178.7-133.620.4000113.4M1 N7M1-N3 PolarHBondContact O-N 2.89Å; N3-N7 PolarHBondContact O-N 3.22Å; N3-N7 PolarHBondContact O-ND2 3.14Å
4S59.4Low70.4Confident73 Ų73112.6 Ų112.651%0.5158%0.581SS.*Hα-helixtrans-76.1-44.1-179.7-165.80000111M1 Y6 N7 I8M1-S4 PolarHBondContact O-N 3.43Å; S4-Y6 VanDerWaalsContact C-N 3.33Å; S4-Y6 PolarHBondContact O-N 3.38Å; S4-N7 PolarHBondContact O-N 3.4Å; S4-I8 WeakPolarHBondContact O-CG1 3.25Å; S4-I8 PolarHBondContact O-N 3.26Å; S4-I8 VanDerWaalsContact O-N 3.07Å
5C66.1Low70.7Confident80 Ų80109.8 Ų109.854%0.54157%0.571SS.*Hα-helixtrans-63.5-37.1177.1-59.10000112.4I8 V9C5-I8 PolarHBondContact O-N 3.27Å; C5-V9 WeakPolarHBondContact O-CB 3.4Å; C5-V9 VanDerWaalsContact O-CG2 3.22Å; C5-V9 WeakPolarHBondContact O-CG2 3.49Å; C5-V9 PolarHBondContact O-N 3.02Å
6Y76.6Confident70.6Confident161 Ų161109.3 Ų109.363%0.63157%0.568SS**Hα-helixtrans-61.7-45.6176.4178.5-97.8000112.2S4 V9 A10S4-Y6 VanDerWaalsContact C-N 3.33Å; S4-Y6 PolarHBondContact O-N 3.38Å; Y6-V9 PolarHBondContact O-N 2.72Å; Y6-A10 VanDerWaalsContact O-CB 3.26Å; Y6-A10 WeakPolarHBondContact O-CB 3.24Å; Y6-A10 PolarHBondContact O-N 3.02Å
7N68.9Low70.2Confident86 Ų86108.1 Ų108.146%0.4656%0.563SS.*Hα-helixtrans-65.6-40.3178.1-74.6-66.6000111.5N3 S4 A10 T11N3-N7 PolarHBondContact O-N 3.22Å; N3-N7 PolarHBondContact O-ND2 3.14Å; S4-N7 PolarHBondContact O-N 3.4Å; N7-A10 PolarHBondContact O-N 2.91Å; N7-T11 WeakPolarHBondContact O-CB 3.05Å; N7-T11 PolarHBondContact O-N 2.86Å; N7-T11 PolarHBondContact O-OG1 2.99Å
8I79.3Confident69.7Low95 Ų95109.7 Ų109.749%0.48757%0.565SS.*Hα-helixtrans-63.4-45.9176.1-66.1165000111.2S4 C5 T11 L12S4-I8 WeakPolarHBondContact O-CG1 3.25Å; S4-I8 PolarHBondContact O-N 3.26Å; S4-I8 VanDerWaalsContact O-N 3.07Å; C5-I8 PolarHBondContact O-N 3.27Å; I8-T11 PolarHBondContact O-N 3.23Å; I8-L12 HydrophobicContact CG2-CD1 4.02Å; I8-L12 WeakPolarHBondContact O-CB 3.35Å; I8-L12 PolarHBondContact O-N 3.27Å
9V81.4Confident68.9Low79 Ų79110.4 Ų110.448%0.47957%0.566SS.*Hα-helixtrans-64.7-43.5177.9172.10000111C5 Y6 T11 L12 L13C5-V9 WeakPolarHBondContact O-CB 3.4Å; C5-V9 VanDerWaalsContact O-CG2 3.22Å; C5-V9 WeakPolarHBondContact O-CG2 3.49Å; C5-V9 PolarHBondContact O-N 3.02Å; Y6-V9 PolarHBondContact O-N 2.72Å; V9-T11 VanDerWaalsContact C-N 3.3Å; V9-T11 PolarHBondContact O-N 2.04Å; V9-L12 PolarHBondContact O-N 2.68Å; V9-L13 HydrophobicContact CG1-CD1 3.93Å; V9-L13 HydrophobicContact CG1-CG 4.36Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 VanDerWaalsContact O-CG 3.24Å; V9-L13 WeakPolarHBondContact O-CG 3.44Å; V9-L13 PolarHBondContact O-N 3.13Å
10A79.2Confident68.2Low31 Ų31114.6 Ų114.626%0.25657%0.574SS.*Hα-helixtrans-60.9-39.7175.400000111.9Y6 N7 L13 L14Y6-A10 VanDerWaalsContact O-CB 3.26Å; Y6-A10 WeakPolarHBondContact O-CB 3.24Å; Y6-A10 PolarHBondContact O-N 3.02Å; N7-A10 PolarHBondContact O-N 2.91Å; A10-L13 PolarHBondContact O-N 3.2Å; A10-L14 WeakPolarHBondContact O-CB 3.26Å; A10-L14 VanDerWaalsContact O-CG 3.23Å; A10-L14 WeakPolarHBondContact O-CG 3.44Å; A10-L14 PolarHBondContact O-N 3.43Å
11T81Confident67.3Low82 Ų82113.5 Ų113.550%0.50357%0.573SS.*Hα-helixtrans-70.2-41.8179.2-44.40000111.2N7 I8 V9 L14 V15N7-T11 WeakPolarHBondContact O-CB 3.05Å; N7-T11 PolarHBondContact O-N 2.86Å; N7-T11 PolarHBondContact O-OG1 2.99Å; I8-T11 PolarHBondContact O-N 3.23Å; V9-T11 VanDerWaalsContact C-N 3.3Å; V9-T11 PolarHBondContact O-N 2.04Å; T11-L14 PolarHBondContact O-N 2.85Å; T11-V15 VanDerWaalsContact O-CG2 3.29Å; T11-V15 WeakPolarHBondContact O-CG2 3.08Å; T11-V15 PolarHBondContact O-N 3.35Å
12L80.3Confident67.3Low99 Ų99111.9 Ų111.952%0.51856%0.555SS.*Hα-helixtrans-60.6-44.1172.8-83.2162.5000111.7I8 V9 L14 V15 L16I8-L12 HydrophobicContact CG2-CD1 4.02Å; I8-L12 WeakPolarHBondContact O-CB 3.35Å; I8-L12 PolarHBondContact O-N 3.27Å; V9-L12 PolarHBondContact O-N 2.68Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 2.83Å; L12-V15 PolarHBondContact O-N 3.37Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 WeakPolarHBondContact O-CG 3.17Å; L12-L16 PolarHBondContact O-N 2.77Å
13L77.4Confident67.4Low96 Ų96104.4 Ų104.450%0.50354%0.539SS..Hα-helixtrans-64.8-37.2176.7-70172.4000112.1V9 A10 N17V9-L13 HydrophobicContact CG1-CD1 3.93Å; V9-L13 HydrophobicContact CG1-CG 4.36Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 VanDerWaalsContact O-CG 3.24Å; V9-L13 WeakPolarHBondContact O-CG 3.44Å; V9-L13 PolarHBondContact O-N 3.13Å; A10-L13 PolarHBondContact O-N 3.2Å; L13-N17 VanDerWaalsContact O-CB 3.28Å; L13-N17 WeakPolarHBondContact O-CB 3.35Å; L13-N17 PolarHBondContact O-N 3.18Å; L13-N17 PolarHBondContact O-ND2 2.79Å
14L77.1Confident67.2Low121 Ų121104.2 Ų104.263%0.63454%0.537SS*.Hα-helixtrans-68.6-41175.2-72.5170.4000112.1A10 T11 L12 N17 F18A10-L14 WeakPolarHBondContact O-CB 3.26Å; A10-L14 VanDerWaalsContact O-CG 3.23Å; A10-L14 WeakPolarHBondContact O-CG 3.44Å; A10-L14 PolarHBondContact O-N 3.43Å; T11-L14 PolarHBondContact O-N 2.85Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 2.83Å; L14-N17 PolarHBondContact O-N 3.26Å; L14-F18 VanDerWaalsContact O-CB 3.26Å; L14-F18 WeakPolarHBondContact O-CB 3.07Å; L14-F18 PolarHBondContact O-N 2.83Å
15V74.3Confident66.9Low71 Ų71108.2 Ų108.243%0.4355%0.548SS..Hα-helixtrans-66.4-44.6176.31720000111.1T11 L12 N17 F18 E19T11-V15 VanDerWaalsContact O-CG2 3.29Å; T11-V15 WeakPolarHBondContact O-CG2 3.08Å; T11-V15 PolarHBondContact O-N 3.35Å; L12-V15 PolarHBondContact O-N 3.37Å; V15-N17 VanDerWaalsContact C-N 3.34Å; V15-N17 PolarHBondContact O-N 2.57Å; V15-F18 WeakPolarHBondContact O-CB 3.44Å; V15-F18 PolarHBondContact O-N 3.02Å; V15-F18 VanDerWaalsContact O-N 3.16Å; V15-E19 WeakPolarHBondContact O-CG 3.42Å; V15-E19 PolarHBondContact O-N 2.89Å
16L69.4Low66.7Low101 Ų101109.2 Ų109.253%0.52955%0.548SS..Hα-helixtrans-65.2-36.7176.9-69.1170.2000112L12 R20L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 WeakPolarHBondContact O-CG 3.17Å; L12-L16 PolarHBondContact O-N 2.77Å; L16-R20 VanDerWaalsContact O-CB 3.26Å; L16-R20 WeakPolarHBondContact O-CB 3.27Å; L16-R20 PolarHBondContact O-N 2.9Å
17N63.9Low66.4Low90 Ų90104 Ų10448%0.48153%0.531SS..Hα-helixtrans-68.7-37.2172-81.9-56.1000112L13 L14 V15 R20 T21L13-N17 VanDerWaalsContact O-CB 3.28Å; L13-N17 WeakPolarHBondContact O-CB 3.35Å; L13-N17 PolarHBondContact O-N 3.18Å; L13-N17 PolarHBondContact O-ND2 2.79Å; L14-N17 PolarHBondContact O-N 3.26Å; V15-N17 VanDerWaalsContact C-N 3.34Å; V15-N17 PolarHBondContact O-N 2.57Å; N17-R20 PolarHBondContact O-N 2.92Å; N17-T21 PolarHBondContact O-N 2.88Å; N17-T21 PolarHBondContact O-OG1 3.42Å; N17-T21 VanDerWaalsContact O-OG1 3.05Å
18F59.9Low66.8Low137 Ų137100.6 Ų100.660%0.60151%0.513SS*.Hα-helixtrans-66-43.7176.9-173.7-103.4000112.3L14 V15 R20 T21 R22L14-F18 VanDerWaalsContact O-CB 3.26Å; L14-F18 WeakPolarHBondContact O-CB 3.07Å; L14-F18 PolarHBondContact O-N 2.83Å; V15-F18 WeakPolarHBondContact O-CB 3.44Å; V15-F18 PolarHBondContact O-N 3.02Å; V15-F18 VanDerWaalsContact O-N 3.16Å; F18-R20 VanDerWaalsContact C-N 3.34Å; F18-T21 WeakPolarHBondContact CA-OG1 3.49Å; F18-T21 PolarHBondContact O-N 3.34Å; F18-T21 PolarHBondContact O-OG1 2.78Å; F18-R22 PolarHBondContact O-N 3.39Å
19E55.4Low66.9Low123 Ų12399 Ų9958%0.57551%0.51SS*.Hα-helixtrans-64.4-38.1173.6-72.3-174.6168.900112V15 T21 R22 S23V15-E19 WeakPolarHBondContact O-CG 3.42Å; V15-E19 PolarHBondContact O-N 2.89Å; E19-T21 PolarHBondContact O-N 3.25Å; E19-R22 PolarHBondContact O-N 3.41Å; E19-S23 PolarHBondContact O-N 2.83Å
20R54.2Low67.1Low194 Ų194101.6 Ų101.673%0.73252%0.522SS*.Hα-helixtrans-65.2-37.1175.2-164.8175.3-153.2151.26113L16 N17 F18L16-R20 VanDerWaalsContact O-CB 3.26Å; L16-R20 WeakPolarHBondContact O-CB 3.27Å; L16-R20 PolarHBondContact O-N 2.9Å; N17-R20 PolarHBondContact O-N 2.92Å; F18-R20 VanDerWaalsContact C-N 3.34Å
21T49Very low67.6Low92 Ų92100.2 Ų100.256%0.56451%0.51SS*.Hα-helixtrans-72.8-30.7174.5440000113.2N17 F18 E19N17-T21 PolarHBondContact O-N 2.88Å; N17-T21 PolarHBondContact O-OG1 3.42Å; N17-T21 VanDerWaalsContact O-OG1 3.05Å; F18-T21 WeakPolarHBondContact CA-OG1 3.49Å; F18-T21 PolarHBondContact O-N 3.34Å; F18-T21 PolarHBondContact O-OG1 2.78Å; E19-T21 PolarHBondContact O-N 3.25Å
22R52.3Low68.3Low181 Ų181100.1 Ų100.168%0.68351%0.511SS*.Hα-helixtrans-71-37.1178.5-161.9178.4-164.21714.2112.4F18 E19 L24 Q25F18-R22 PolarHBondContact O-N 3.39Å; E19-R22 PolarHBondContact O-N 3.41Å; R22-L24 VanDerWaalsContact C-N 3.27Å; R22-L24 PolarHBondContact O-N 2.99Å; R22-Q25 PolarHBondContact O-N 2.78Å
23S53.5Low69Low76 Ų7697.2 Ų97.253%0.53150%0.501SS..Hα-helixtrans-58.5-36.1177.9168.70000112.9E19 Q25 D26 L27E19-S23 PolarHBondContact O-N 2.83Å; S23-Q25 VanDerWaalsContact C-N 3.3Å; S23-Q25 PolarHBondContact O-N 2.04Å; S23-D26 PolarHBondContact O-N 3.27Å; S23-L27 WeakPolarHBondContact O-CD1 3.04Å
24L51.7Low69.9Low121 Ų12192.9 Ų92.963%0.63448%0.48SS*.Hα-helixtrans-74.5-20.5-176.8-138.1143.8000113.1R22R22-L24 VanDerWaalsContact C-N 3.27Å; R22-L24 PolarHBondContact O-N 2.99Å
25Q53.5Low70.7Confident157 Ų15788.1 Ų88.173%0.73446%0.456SS*.Hα-helixtrans-82.3-16.4174.3-155.6108.831.600112.3R22 S23R22-Q25 PolarHBondContact O-N 2.78Å; S23-Q25 VanDerWaalsContact C-N 3.3Å; S23-Q25 PolarHBondContact O-N 2.04Å
26D61.9Low71.6Confident101 Ų10187.3 Ų87.354%0.5445%0.446SS..Hα-helixtrans-102.5-10.4-164.4-151.820.1000115.2S23 C28 S29S23-D26 PolarHBondContact O-N 3.27Å; D26-C28 VanDerWaalsContact C-N 3.28Å; D26-C28 PolarHBondContact O-N 2.86Å; D26-S29 WeakPolarHBondContact CA-OG 3.47Å; D26-S29 PolarHBondContact O-N 2.87Å; D26-S29 PolarHBondContact O-OG 3.38Å; D26-S29 WeakPolarHBondContact OD1-CB 3.36Å; D26-S29 PolarHBondContact OD1-OG 2.89Å
27L69.9Low72.5Confident52 Ų5282.5 Ų82.527%0.27242%0.421SS..SBendtrans-68.4-25.8-173.8-70.8112.2000114.3S23 Q43S23-L27 WeakPolarHBondContact O-CD1 3.04Å; L27-Q43 HydrophobicContact CD2-CG 4.39Å
28C77.1Confident73.3Confident13 Ų1381.8 Ų81.89%0.08842%0.418CS..SBendtrans-102.5-12.1-178.5-57.50000112.6D26 N30 C31 C37 G58D26-C28 VanDerWaalsContact C-N 3.28Å; D26-C28 PolarHBondContact O-N 2.86Å; C28-N30 PolarHBondContact O-N 2.81Å; C28-C31 WeakPolarHBondContact O-CB 3.39Å; C28-C31 PolarHBondContact O-N 2.94Å; C28-C37 VanDerWaalsContact CA-SG 3.59Å; C28-C37 HydrophobicContact CB-CB 3.48Å; C28-C37 VanDerWaalsContact CB-CB 3.48Å; C28-C37 WeakPolarHBondContact CB-SG 3.19Å; C28-C37 WeakPolarHBondContact SG-CB 3.3Å; C28-C37 CovalentContact SG-SG 2.05Å; C28-C37 PolarHBondContact SG-SG 2.81Å; C28-G58 WeakPolarHBondContact O-CA 3.07Å
29S81.5Confident73.7Confident62 Ų6280.6 Ų80.643%0.43442%0.418SS..THydrogen-bonded Turntrans-51.4-30-175.1-51.70000114.1D26D26-S29 WeakPolarHBondContact CA-OG 3.47Å; D26-S29 PolarHBondContact O-N 2.87Å; D26-S29 PolarHBondContact O-OG 3.38Å; D26-S29 WeakPolarHBondContact OD1-CB 3.36Å; D26-S29 PolarHBondContact OD1-OG 2.89Å
30N86.4Confident74.1Confident133 Ų13381.7 Ų81.771%0.71143%0.427SS*.THydrogen-bonded Turntrans-83.5-7.3-178-64.7-35.7000114.3C28C28-N30 PolarHBondContact O-N 2.81Å
31C90.5Very high74.3Confident3 Ų380 Ų802%0.0242%0.421CS..PPolyproline II helixtrans-73.7127.7178.9-69.10000110.9C28 C45 G57 G58C28-C31 WeakPolarHBondContact O-CB 3.39Å; C28-C31 PolarHBondContact O-N 2.94Å; C31-C45 WeakPolarHBondContact CA-SG 3.2Å; C31-C45 HydrophobicContact CB-CB 3.81Å; C31-C45 WeakPolarHBondContact CB-SG 3.33Å; C31-C45 VanDerWaalsContact SG-CA 3.57Å; C31-C45 WeakPolarHBondContact SG-CB 3.48Å; C31-C45 CovalentContact SG-SG 2.04Å; C31-C45 PolarHBondContact SG-SG 3.24Å; C31-G57 CarbonylContact O-C 3.55Å; C31-G57 WeakPolarHBondContact O-CA 3.03Å; C31-G58 PolarHBondContact O-N 3.49Å
32P94.2Very high74.9Confident79 Ų7979.5 Ų79.551%0.51342%0.421SS..PPolyproline II helixtrans-72.8166.6178.931.4-35.8000111.8T35P32-T35 WeakPolarHBondContact CD-OG1 3.44Å; P32-T35 HydrophobicContact CG-CG2 4.17Å; P32-T35 PolarHBondContact O-N 3.49Å; P32-T35 PolarHBondContact O-OG1 2.04Å
33A96.1Very high75.6Confident38 Ų3877 Ų7731%0.31442%0.418SS..THydrogen-bonded Turntrans-53.3148.1169.200000111.1T35 S54 T81A33-T35 VanDerWaalsContact C-N 3.26Å; A33-T35 PolarHBondContact O-N 3.24Å; A33-S54 WeakPolarHBondContact CB-O 3.4Å; A33-T81 HydrophobicContact CB-CG2 4.05Å
34G96Very high77Confident5 Ų577.9 Ų77.95%0.05242%0.415CS..THydrogen-bonded Turntrans75.49.5-174.200000116C48 S54 S80G34-C48 VanDerWaalsContact C-SG 3.57Å; G34-C48 PolarHBondContact O-N 3.38Å; G34-C48 PolarHBondContact O-SG 3.36Å; G34-S54 PolarHBondContact N-O 2.8Å; G34-S80 WeakPolarHBondContact CA-O 3.5Å
35T94.1Very high78.9Confident21 Ų2174.3 Ų74.313%0.12940%0.4CS..EExtended strand (participates in β ladder)trans-126.7160.4169.468.90000111P32 A33 C45 S46P32-T35 WeakPolarHBondContact CD-OG1 3.44Å; P32-T35 HydrophobicContact CG-CG2 4.17Å; P32-T35 PolarHBondContact O-N 3.49Å; P32-T35 PolarHBondContact O-OG1 2.04Å; A33-T35 VanDerWaalsContact C-N 3.26Å; A33-T35 PolarHBondContact O-N 3.24Å; T35-C45 HydrophobicContact CG2-CB 4.37Å; T35-S46 CarbonylContact C-O 3.47Å; T35-S46 WeakPolarHBondContact CA-O 3.04Å; T35-S46 VanDerWaalsContact CB-O 3.26Å; T35-S46 WeakPolarHBondContact CB-O 3.43Å
36F92.3Very high80.7Confident54 Ų5468.9 Ų68.924%0.23738%0.379CS..EExtended strand (participates in β ladder)trans-131.5161.5172.175-76.9000111.4S46 P47 Q59 R60F36-S46 WeakPolarHBondContact CD1-O 3.45Å; F36-S46 PolarHBondContact N-O 3.09Å; F36-S46 PolarHBondContact O-N 3.46Å; F36-P47 WeakPolarHBondContact CE1-O 3.05Å; F36-Q59 VanDerWaalsContact CA-O 3.28Å; F36-Q59 WeakPolarHBondContact CA-O 3.43Å; F36-R60 WeakPolarHBondContact CD2-O 3.19Å
37C88.6Confident82.3Confident0 Ų069 Ų690%039%0.385CS..  trans-130.8115.1-175170.80000110.1C28 Q59 R60C28-C37 VanDerWaalsContact CA-SG 3.59Å; C28-C37 HydrophobicContact CB-CB 3.48Å; C28-C37 VanDerWaalsContact CB-CB 3.48Å; C28-C37 WeakPolarHBondContact CB-SG 3.19Å; C28-C37 WeakPolarHBondContact SG-CB 3.3Å; C28-C37 CovalentContact SG-SG 2.05Å; C28-C37 PolarHBondContact SG-SG 2.81Å; C37-Q59 PolarHBondContact N-O 3.2Å; C37-R60 VanDerWaalsContact O-CA 3.31Å; C37-R60 WeakPolarHBondContact O-CA 3.03Å
38D80.3Confident83.6Confident76 Ų7667.3 Ų67.341%0.40638%0.378SS..  trans-82.9142.8179.9-17712.9000111.3N40 R41D38-N40 PolarHBondContact O-N 2.78Å; D38-N40 VanDerWaalsContact O-N 3.09Å; D38-R41 CarbonylContact O-C 3.46Å; D38-R41 PolarHBondContact O-N 3.35Å
39N68.6Low84.5Confident112 Ų11270 Ų7060%0.59940%0.395SS*.THydrogen-bonded Turntrans-58.6-24.5-178.5-69.6-31.6000113.1R60N39-R60 PolarHBondContact OD1-NH1 3.39Å
40N64.9Low85.3Confident146 Ų14672.9 Ų72.978%0.78141%0.412SS*.THydrogen-bonded Turntrans-83.3-10.8179.3-79.7-20.2000114.1D38D38-N40 PolarHBondContact O-N 2.78Å; D38-N40 VanDerWaalsContact O-N 3.09Å
41R58.4Low85.8Confident157 Ų15772.3 Ų72.359%0.59241%0.409SS*.SBendtrans-129.681.5179.8-63.6-178.4-167.4-107.71.2109.3D38 Q43 I44D38-R41 CarbonylContact O-C 3.46Å; D38-R41 PolarHBondContact O-N 3.35Å; R41-Q43 PolarHBondContact O-N 2.62Å; R41-I44 HydrophobicContact CB-CB 4.39Å; R41-I44 PolarHBondContact O-N 2.84Å
42S60.6Low86.1Confident82 Ų8272.7 Ų72.757%0.57341%0.412SS*.THydrogen-bonded Turntrans-47.6103.4169.744.50000111.2
43Q67.3Low86.3Confident130 Ų13069.7 Ų69.761%0.60739%0.391SS*.THydrogen-bonded Turntrans90.22.1172.9-55.3-179-37.900120.1L27 R41 C45L27-Q43 HydrophobicContact CD2-CG 4.39Å; R41-Q43 PolarHBondContact O-N 2.62Å; Q43-C45 PolarHBondContact O-N 3.35Å
44I83.5Confident86.3Confident93 Ų9367.9 Ų67.948%0.47738%0.376SS..  trans-91.4109.9176.7-59.6176.7000110.5R41 S46R41-I44 HydrophobicContact CB-CB 4.39Å; R41-I44 PolarHBondContact O-N 2.84Å; I44-S46 PolarHBondContact O-N 3.34Å
45C90.4Very high86.4Confident47 Ų4771.4 Ų71.432%0.31840%0.4SS..  trans-80.5111.2174.8-47.20000109.9C31 T35 Q43C31-C45 WeakPolarHBondContact CA-SG 3.2Å; C31-C45 HydrophobicContact CB-CB 3.81Å; C31-C45 WeakPolarHBondContact CB-SG 3.33Å; C31-C45 VanDerWaalsContact SG-CA 3.57Å; C31-C45 WeakPolarHBondContact SG-CB 3.48Å; C31-C45 CovalentContact SG-SG 2.04Å; C31-C45 PolarHBondContact SG-SG 3.24Å; T35-C45 HydrophobicContact CG2-CB 4.37Å; Q43-C45 PolarHBondContact O-N 3.35Å
46S92.6Very high86.3Confident43 Ų4372.7 Ų72.730%0.30141%0.413SS..EExtended strand (participates in β ladder)trans-96.9140.8177.2-62.30000110.1T35 F36 I44T35-S46 CarbonylContact C-O 3.47Å; T35-S46 WeakPolarHBondContact CA-O 3.04Å; T35-S46 VanDerWaalsContact CB-O 3.26Å; T35-S46 WeakPolarHBondContact CB-O 3.43Å; F36-S46 WeakPolarHBondContact CD1-O 3.45Å; F36-S46 PolarHBondContact N-O 3.09Å; F36-S46 PolarHBondContact O-N 3.46Å; I44-S46 PolarHBondContact O-N 3.34Å
47P95.8Very high86.3Confident102 Ų10272.2 Ų72.266%0.66242%0.423SS*.EExtended strand (participates in β ladder)trans-63.2148177.927.7-34.7000110.9F36F36-P47 WeakPolarHBondContact CE1-O 3.05Å
48C96.8Very high86.3Confident18 Ų1873.4 Ų73.412%0.12244%0.435CS..PPolyproline II helixtrans-58.9134.6174.5-71.80000111.4G34 S52 C62G34-C48 VanDerWaalsContact C-SG 3.57Å; G34-C48 PolarHBondContact O-N 3.38Å; G34-C48 PolarHBondContact O-SG 3.36Å; C48-S52 WeakPolarHBondContact CB-OG 3.05Å; C48-C62 WeakPolarHBondContact CA-SG 3.46Å; C48-C62 HydrophobicContact CB-CB 3.77Å; C48-C62 WeakPolarHBondContact CB-SG 3.48Å; C48-C62 WeakPolarHBondContact SG-CB 3.29Å; C48-C62 CovalentContact SG-SG 2.04Å; C48-C62 PolarHBondContact SG-SG 3.13Å
49P96.4Very high86.8Confident70 Ų7072.1 Ų72.146%0.45543%0.426SS..PPolyproline II helixtrans-64164.7176.225.3-33.1000112.1N51 S52P49-N51 PolarHBondContact O-N 3.11Å; P49-S52 WeakPolarHBondContact CD-OG 3.04Å; P49-S52 VanDerWaalsContact CG-OG 3.3Å; P49-S52 WeakPolarHBondContact CG-OG 3.37Å; P49-S52 PolarHBondContact O-N 3.47Å; P49-S52 VanDerWaalsContact O-N 3.14Å; P49-S52 PolarHBondContact O-OG 3.23Å
50P97.1Very high87.7Confident121 Ų12172 Ų7279%0.78642%0.417SS*.THydrogen-bonded Turntrans-52.8141.8177-25.634.5000112.4S52P50-S52 VanDerWaalsContact C-N 3.27Å; P50-S52 PolarHBondContact O-N 2.82Å
51N96.4Very high89Confident122 Ų12269.2 Ų69.265%0.65241%0.406SS*.THydrogen-bonded Turntrans60.930.1-174.9-53-54000114.5P49 C65P49-N51 PolarHBondContact O-N 3.11Å; N51-C65 WeakPolarHBondContact O-CB 3.47Å; N51-C65 PolarHBondContact O-N 2.03Å; N51-C65 PolarHBondContact O-SG 2.84Å; N51-C65 VanDerWaalsContact O-SG 3.41Å
52S97.9Very high90.7Very high11 Ų1162.8 Ų62.88%0.07739%0.385CS..EExtended strand (participates in β ladder)trans-139.3160169.973.10000112.1C48 P49 P50 C62 D63 C65C48-S52 WeakPolarHBondContact CB-OG 3.05Å; P49-S52 WeakPolarHBondContact CD-OG 3.04Å; P49-S52 VanDerWaalsContact CG-OG 3.3Å; P49-S52 WeakPolarHBondContact CG-OG 3.37Å; P49-S52 PolarHBondContact O-N 3.47Å; P49-S52 VanDerWaalsContact O-N 3.14Å; P49-S52 PolarHBondContact O-OG 3.23Å; P50-S52 VanDerWaalsContact C-N 3.27Å; P50-S52 PolarHBondContact O-N 2.82Å; S52-C62 WeakPolarHBondContact OG-CB 3.44Å; S52-D63 CarbonylContact C-O 3.57Å; S52-D63 WeakPolarHBondContact CA-O 3.23Å; S52-D63 VanDerWaalsContact CB-O 3.26Å; S52-D63 WeakPolarHBondContact CB-O 3.46Å; S52-C65 PolarHBondContact N-SG 2.9Å; S52-C65 VanDerWaalsContact N-SG 3.37Å
53F98.1Very high92.5Very high15 Ų1562.3 Ų62.37%0.06638%0.376CS..EExtended strand (participates in β ladder)trans-144.5163-177.878.4-78.4000111.7C62 D63 S79 S80 N83F53-C62 CarbonylContact O-C 3.35Å; F53-C62 WeakPolarHBondContact O-CA 3.22Å; F53-C62 WeakPolarHBondContact O-CB 3.43Å; F53-D63 HydrophobicContact CD1-CB 4.07Å; F53-D63 WeakPolarHBondContact CD1-O 3.3Å; F53-D63 HydrophobicContact CE1-CB 3.54Å; F53-D63 HydrophobicContact CE2-CB 4.46Å; F53-D63 HydrophobicContact CZ-CB 3.74Å; F53-D63 PolarHBondContact N-O 3.48Å; F53-D63 PolarHBondContact O-N 2.84Å; F53-S79 WeakPolarHBondContact CB-O 3.35Å; F53-S80 CarbonylContact C-O 3.4Å; F53-S80 WeakPolarHBondContact CA-O 3.07Å; F53-S80 WeakPolarHBondContact CB-O 3Å; F53-N83 HydrophobicContact CD1-CB 4.07Å; F53-N83 HydrophobicContact CD2-CB 4.32Å; F53-N83 HydrophobicContact CE1-CB 3.53Å; F53-N83 WeakPolarHBondContact CE1-OD1 3.37Å; F53-N83 HydrophobicContact CE2-CB 3.81Å; F53-N83 HydrophobicContact CG-CB 4.45Å; F53-N83 HydrophobicContact CZ-CB 3.4Å; F53-N83 VanDerWaalsContact CZ-CB 3.4Å
54S97.1Very high94Very high0 Ų062.5 Ų62.50%038%0.38CS..  trans-140.9111.6169.2173.90000108.6A33 G34 A56 Q59 S80A33-S54 WeakPolarHBondContact CB-O 3.4Å; G34-S54 PolarHBondContact N-O 2.8Å; S54-A56 PolarHBondContact OG-O 3.01Å; S54-Q59 WeakPolarHBondContact OG-CB 3.45Å; S54-Q59 VanDerWaalsContact OG-CG 3.25Å; S54-Q59 WeakPolarHBondContact OG-CG 3.5Å; S54-S80 PolarHBondContact N-O 2.66Å
55S96.3Very high94.7Very high79 Ų7958.7 Ų58.755%0.55236%0.361SS*.SBendtrans-76.8-24-176.2560000113.9T81S55-T81 WeakPolarHBondContact CA-O 3.26Å
56A93.6Very high95Very high49 Ų4959.4 Ų59.441%0.40536%0.357SS..SBendtrans-117.8155.9-179.700000111.1S54S54-A56 PolarHBondContact OG-O 3.01Å
57G91.4Very high95.2Very high43 Ų4363 Ų6344%0.44337%0.369SS..THydrogen-bonded Turntrans-70.8164.5169.600000112.6C31 Q59C31-G57 CarbonylContact O-C 3.55Å; C31-G57 WeakPolarHBondContact O-CA 3.03Å; G57-Q59 PolarHBondContact O-N 2.91Å
58G88.8Confident95.3Very high25 Ų2559.1 Ų59.126%0.25834%0.344SS..THydrogen-bonded Turntrans68.216.3174.200000116.8C28 C31C28-G58 WeakPolarHBondContact O-CA 3.07Å; C31-G58 PolarHBondContact O-N 3.49Å
59Q89.6Confident95.2Very high49 Ų4965 Ų6523%0.22937%0.368CS..  trans-70.3140.3174.8-71-119.25200111.5F36 C37 S54 G57F36-Q59 VanDerWaalsContact CA-O 3.28Å; F36-Q59 WeakPolarHBondContact CA-O 3.43Å; C37-Q59 PolarHBondContact N-O 3.2Å; S54-Q59 WeakPolarHBondContact OG-CB 3.45Å; S54-Q59 VanDerWaalsContact OG-CG 3.25Å; S54-Q59 WeakPolarHBondContact OG-CG 3.5Å; G57-Q59 PolarHBondContact O-N 2.91Å
60R88.5Confident95.2Very high109 Ų10965.3 Ų65.341%0.41138%0.383SS..SBendtrans-84.7-21.1177-65.2-174.6179.7-169.8-3.7112.6F36 C37 N39F36-R60 WeakPolarHBondContact CD2-O 3.19Å; C37-R60 VanDerWaalsContact O-CA 3.31Å; C37-R60 WeakPolarHBondContact O-CA 3.03Å; N39-R60 PolarHBondContact OD1-NH1 3.39Å
61T91.7Very high95.2Very high89 Ų8962.1 Ų62.155%0.54636%0.361SS..SBendtrans-143.3152.1-178.753.10000108.9
62C95.5Very high95.3Very high22 Ų2258.4 Ų58.415%0.14934%0.34CS..PPolyproline II helixtrans-89.4141.1169.2-58.60000109.9C48 S52 F53C48-C62 WeakPolarHBondContact CA-SG 3.46Å; C48-C62 HydrophobicContact CB-CB 3.77Å; C48-C62 WeakPolarHBondContact CB-SG 3.48Å; C48-C62 WeakPolarHBondContact SG-CB 3.29Å; C48-C62 CovalentContact SG-SG 2.04Å; C48-C62 PolarHBondContact SG-SG 3.13Å; S52-C62 WeakPolarHBondContact OG-CB 3.44Å; F53-C62 CarbonylContact O-C 3.35Å; F53-C62 WeakPolarHBondContact O-CA 3.22Å; F53-C62 WeakPolarHBondContact O-CB 3.43Å
63D97.4Very high95.3Very high71 Ų7162 Ų6238%0.3836%0.356SS..EExtended strand (participates in β ladder)trans-75.1142173.5-66.2-45.4000109.8S52 F53S52-D63 CarbonylContact C-O 3.57Å; S52-D63 WeakPolarHBondContact CA-O 3.23Å; S52-D63 VanDerWaalsContact CB-O 3.26Å; S52-D63 WeakPolarHBondContact CB-O 3.46Å; F53-D63 HydrophobicContact CD1-CB 4.07Å; F53-D63 WeakPolarHBondContact CD1-O 3.3Å; F53-D63 HydrophobicContact CE1-CB 3.54Å; F53-D63 HydrophobicContact CE2-CB 4.46Å; F53-D63 HydrophobicContact CZ-CB 3.74Å; F53-D63 PolarHBondContact N-O 3.48Å; F53-D63 PolarHBondContact O-N 2.84Å
64I98.1Very high95.2Very high135 Ų13564 Ų6469%0.69237%0.37SS*.EExtended strand (participates in β ladder)trans-73135.3178.7-59.1175.6000108.9R66I64-R66 PolarHBondContact O-N 2.87Å
65C98.1Very high95.2Very high12 Ų1271.7 Ų71.78%0.08140%0.399CS..PPolyproline II helixtrans-59.2132.8175.3-650000110.9N51 S52 Q67 C78 N83N51-C65 WeakPolarHBondContact O-CB 3.47Å; N51-C65 PolarHBondContact O-N 2.03Å; N51-C65 PolarHBondContact O-SG 2.84Å; N51-C65 VanDerWaalsContact O-SG 3.41Å; S52-C65 PolarHBondContact N-SG 2.9Å; S52-C65 VanDerWaalsContact N-SG 3.37Å; C65-Q67 PolarHBondContact O-N 3.43Å; C65-C78 HydrophobicContact CB-CB 3.58Å; C65-C78 WeakPolarHBondContact CB-SG 3.43Å; C65-C78 WeakPolarHBondContact SG-CB 2.98Å; C65-C78 CovalentContact SG-SG 2.01Å; C65-C78 PolarHBondContact SG-SG 3.36Å; C65-N83 WeakPolarHBondContact CA-OD1 3.02Å
66R97.4Very high95.3Very high63 Ų6371.8 Ų71.824%0.23839%0.389CS..PPolyproline II helixtrans-58.2138.3168.3-178.1177.1177.2-175.8-4.8109.7I64 N83 A84 C86 E98 C99I64-R66 PolarHBondContact O-N 2.87Å; R66-N83 PolarHBondContact N-OD1 2.85Å; R66-A84 VanDerWaalsContact O-CB 3.31Å; R66-A84 WeakPolarHBondContact O-CB 3.45Å; R66-C86 PolarHBondContact NE-SG 2.97Å; R66-E98 PolarHBondContact NH1-O 3.44Å; R66-C99 PolarHBondContact NH2-O 3.5Å
67Q96.9Very high95.5Very high117 Ų11776 Ų7655%0.54740%0.401SS..  trans-104.1121.4174.8-62.1-176.516.300109.8C65 K69C65-Q67 PolarHBondContact O-N 3.43Å; Q67-K69 HydrophobicContact CB-CD 4.41Å; Q67-K69 HydrophobicContact CB-CG 4.44Å; Q67-K69 PolarHBondContact O-N 3.33Å
68C97.4Very high95.8Very high21 Ų2175.8 Ų75.814%0.14239%0.392CS..  trans-86.8103.8173.3-45.60000108.5F72 C86C68-F72 HydrophobicContact CB-CB 4.1Å; C68-C86 WeakPolarHBondContact CA-SG 3.47Å; C68-C86 HydrophobicContact CB-CB 3.87Å; C68-C86 WeakPolarHBondContact CB-SG 3.36Å; C68-C86 WeakPolarHBondContact SG-CA 3.43Å; C68-C86 WeakPolarHBondContact SG-CB 3.37Å; C68-C86 CovalentContact SG-SG 2.03Å; C68-C86 PolarHBondContact SG-SG 2.84Å
69K96.1Very high96.2Very high143 Ų14376.8 Ų76.862%0.62240%0.395SS*.  trans-134.1157.8-178.3-71.4179.2170.9171.70110.6Q67 V71 F72Q67-K69 HydrophobicContact CB-CD 4.41Å; Q67-K69 HydrophobicContact CB-CG 4.44Å; Q67-K69 PolarHBondContact O-N 3.33Å; K69-V71 PolarHBondContact O-N 3.39Å; K69-F72 PolarHBondContact O-N 3Å
70G96.4Very high96.6Very high75 Ų7577.3 Ų77.377%0.77340%0.404SS*.THydrogen-bonded Turntrans70.2-117177.800000112F72G70-F72 PolarHBondContact O-N 3.09Å
71V96.9Very high97Very high54 Ų5475.3 Ų75.333%0.32740%0.404SS..THydrogen-bonded Turntrans-75.5-8.3178.7-63.80000113.7K69 I89 C102K69-V71 PolarHBondContact O-N 3.39Å; V71-I89 PolarHBondContact O-N 3.08Å; V71-C102 HydrophobicContact CB-CB 4.26Å; V71-C102 HydrophobicContact CG2-CB 3.86Å
72F98.2Very high97.3Very high45 Ų4572.3 Ų72.320%0.19739%0.387CS..EExtended strand (participates in β ladder)trans-96.5138.1177-61.3-78.4000111.1C68 K69 G70 C86 D87 C99 S100 C102C68-F72 HydrophobicContact CB-CB 4.1Å; K69-F72 PolarHBondContact O-N 3Å; G70-F72 PolarHBondContact O-N 3.09Å; F72-C86 HydrophobicContact CB-CB 4.19Å; F72-C86 HydrophobicContact CD1-CB 4.19Å; F72-D87 CarbonylContact C-O 3.44Å; F72-D87 VanDerWaalsContact CA-O 3.24Å; F72-D87 WeakPolarHBondContact CA-O 3.36Å; F72-C99 VanDerWaalsContact CE1-O 3.23Å; F72-C99 WeakPolarHBondContact CE1-O 3.43Å; F72-S100 WeakPolarHBondContact CZ-O 3.11Å; F72-C102 WeakPolarHBondContact CD1-SG 3.13Å; F72-C102 HydrophobicContact CE1-CB 4.44Å; F72-C102 WeakPolarHBondContact CE1-SG 3.4Å
73M97.3Very high97.4Very high85 Ų8573.3 Ų73.342%0.41939%0.39SS..EExtended strand (participates in β ladder)trans-112.4147.5169.767.3174.4-161.600110.6R75 C86 D87 I89M73-R75 PolarHBondContact O-N 3.44Å; M73-C86 CarbonylContact O-C 3.44Å; M73-C86 WeakPolarHBondContact O-CA 3.24Å; M73-D87 HydrophobicContact CE-CB 3.79Å; M73-D87 HydrophobicContact CG-CB 4.07Å; M73-D87 PolarHBondContact N-O 3.36Å; M73-D87 PolarHBondContact O-N 3.23Å; M73-I89 HydrophobicContact CB-CG2 4.34Å
74T97.2Very high97.4Very high57 Ų5770.3 Ų70.335%0.3538%0.375SS..EExtended strand (participates in β ladder)trans-73.6117.6176.7-51.30000110K76 E77T74-K76 WeakPolarHBondContact CG2-O 3.48Å; T74-E77 HydrophobicContact CG2-CG 4.38Å; T74-E77 WeakPolarHBondContact CG2-OE1 3.09Å
75R96.7Very high97.4Very high163 Ų16367.1 Ų67.162%0.61536%0.358SS*.EExtended strand (participates in β ladder)trans-88.1-39.9172.6-173.4-178.576.3162.70.2111.2M73 E85 D87M73-R75 PolarHBondContact O-N 3.44Å; R75-E85 WeakPolarHBondContact CA-O 3.46Å; R75-E85 WeakPolarHBondContact CB-O 3.02Å; R75-E85 IonicContact CZ-OE2 3.83Å; R75-E85 PolarHBondContact N-O 3.49Å; R75-E85 IonicContact NE-OE2 3.58Å; R75-E85 IonicContact NH2-OE2 2.64Å; R75-E85 PolarHBondContact NH2-OE2 2.81Å; R75-D87 HydrophobicContact CB-CB 4.13Å
76K97.1Very high97.4Very high81 Ų8166.9 Ų66.935%0.35236%0.356SS..EExtended strand (participates in β ladder)trans-137126.9176.7-174.8-168.8169.5-1720108.8T74 S82 A84 E85T74-K76 WeakPolarHBondContact CG2-O 3.48Å; K76-S82 WeakPolarHBondContact CE-OG 2.99Å; K76-S82 PolarHBondContact NZ-OG 3.43Å; K76-A84 VanDerWaalsContact O-CA 3.31Å; K76-A84 WeakPolarHBondContact O-CA 3.47Å; K76-E85 HydrophobicContact CB-CB 3.88Å; K76-E85 HydrophobicContact CB-CG 4.19Å; K76-E85 VanDerWaalsContact CD-CD 3.47Å; K76-E85 HydrophobicContact CD-CG 4.07Å; K76-E85 WeakPolarHBondContact CD-OE1 3.31Å; K76-E85 PolarHBondContact N-O 2.89Å; K76-E85 VanDerWaalsContact N-O 3.08Å; K76-E85 IonicContact NZ-OE1 3.04Å; K76-E85 PolarHBondContact NZ-OE1 3.4Å; K76-E85 PolarHBondContact O-N 2.77Å
77E97.9Very high97.4Very high137 Ų13766.5 Ų66.564%0.6436%0.359SS*.  trans-65.6150.9176.4-64.1-59.4156.400111.6T74T74-E77 HydrophobicContact CG2-CG 4.38Å; T74-E77 WeakPolarHBondContact CG2-OE1 3.09Å
78C97.9Very high97.4Very high38 Ų3861.2 Ų61.226%0.25734%0.335SS..  trans-68.5143.8174.1-159.70000110.9C65 S82 A84C65-C78 HydrophobicContact CB-CB 3.58Å; C65-C78 WeakPolarHBondContact CB-SG 3.43Å; C65-C78 WeakPolarHBondContact SG-CB 2.98Å; C65-C78 CovalentContact SG-SG 2.01Å; C65-C78 PolarHBondContact SG-SG 3.36Å; C78-S82 PolarHBondContact SG-O 2.03Å; C78-S82 VanDerWaalsContact SG-O 3.4Å; C78-A84 HydrophobicContact CB-CB 3.99Å
79S98Very high97.4Very high47 Ų4763.4 Ų63.433%0.32934%0.344SS..  trans-127.9173.6170.973.80000109.7F53 T81 S82F53-S79 WeakPolarHBondContact CB-O 3.35Å; S79-T81 PolarHBondContact O-N 3.08Å; S79-T81 VanDerWaalsContact O-N 3.16Å; S79-T81 PolarHBondContact OG-N 3.46Å; S79-T81 PolarHBondContact OG-OG1 2.74Å; S79-S82 PolarHBondContact N-O 3.2Å; S79-S82 PolarHBondContact O-N 3.28Å; S79-S82 VanDerWaalsContact O-O 3.08Å; S79-S82 PolarHBondContact OG-N 2.03Å; S79-S82 VanDerWaalsContact OG-N 3.11Å; S79-S82 PolarHBondContact OG-OG 3.31Å
80S97.6Very high97.4Very high60 Ų6062.5 Ų62.542%0.4236%0.356SS..SBendtrans-61-24.2175.355.80000113G34 F53 S54G34-S80 WeakPolarHBondContact CA-O 3.5Å; F53-S80 CarbonylContact C-O 3.4Å; F53-S80 WeakPolarHBondContact CA-O 3.07Å; F53-S80 WeakPolarHBondContact CB-O 3Å; S54-S80 PolarHBondContact N-O 2.66Å
81T97.6Very high97.3Very high66 Ų6660.9 Ų60.941%0.40534%0.339SS..SBendtrans-109-8.3-175.6560000114.4A33 S55 S79A33-T81 HydrophobicContact CB-CG2 4.05Å; S55-T81 WeakPolarHBondContact CA-O 3.26Å; S79-T81 PolarHBondContact O-N 3.08Å; S79-T81 VanDerWaalsContact O-N 3.16Å; S79-T81 PolarHBondContact OG-N 3.46Å; S79-T81 PolarHBondContact OG-OG1 2.74Å
82S97.3Very high97.2Very high27 Ų2761.9 Ų61.919%0.18934%0.338CS..SBendtrans-145.6140.9-178.964.40000112K76 C78 S79K76-S82 WeakPolarHBondContact CE-OG 2.99Å; K76-S82 PolarHBondContact NZ-OG 3.43Å; C78-S82 PolarHBondContact SG-O 2.03Å; C78-S82 VanDerWaalsContact SG-O 3.4Å; S79-S82 PolarHBondContact N-O 3.2Å; S79-S82 PolarHBondContact O-N 3.28Å; S79-S82 VanDerWaalsContact O-O 3.08Å; S79-S82 PolarHBondContact OG-N 2.03Å; S79-S82 VanDerWaalsContact OG-N 3.11Å; S79-S82 PolarHBondContact OG-OG 3.31Å
83N97.9Very high97Very high42 Ų4260.8 Ų60.823%0.22533%0.333CS..  trans-61.8158.7174.7-153.1-5.1000111.3F53 C65 R66F53-N83 HydrophobicContact CD1-CB 4.07Å; F53-N83 HydrophobicContact CD2-CB 4.32Å; F53-N83 HydrophobicContact CE1-CB 3.53Å; F53-N83 WeakPolarHBondContact CE1-OD1 3.37Å; F53-N83 HydrophobicContact CE2-CB 3.81Å; F53-N83 HydrophobicContact CG-CB 4.45Å; F53-N83 HydrophobicContact CZ-CB 3.4Å; F53-N83 VanDerWaalsContact CZ-CB 3.4Å; C65-N83 WeakPolarHBondContact CA-OD1 3.02Å; R66-N83 PolarHBondContact N-OD1 2.85Å
84A97.6Very high97Very high8 Ų859.1 Ų59.17%0.06633%0.33CS..  trans-65.6141.3164.400000110R66 K76 C78R66-A84 VanDerWaalsContact O-CB 3.31Å; R66-A84 WeakPolarHBondContact O-CB 3.45Å; K76-A84 VanDerWaalsContact O-CA 3.31Å; K76-A84 WeakPolarHBondContact O-CA 3.47Å; C78-A84 HydrophobicContact CB-CB 3.99Å
85E97.6Very high96.9Very high68 Ų6859.5 Ų59.532%0.31833%0.329SS..EExtended strand (participates in β ladder)trans-109.8125.5174.2-58.4168.1-155.200108.4R75 K76R75-E85 WeakPolarHBondContact CA-O 3.46Å; R75-E85 WeakPolarHBondContact CB-O 3.02Å; R75-E85 IonicContact CZ-OE2 3.83Å; R75-E85 PolarHBondContact N-O 3.49Å; R75-E85 IonicContact NE-OE2 3.58Å; R75-E85 IonicContact NH2-OE2 2.64Å; R75-E85 PolarHBondContact NH2-OE2 2.81Å; K76-E85 HydrophobicContact CB-CB 3.88Å; K76-E85 HydrophobicContact CB-CG 4.19Å; K76-E85 VanDerWaalsContact CD-CD 3.47Å; K76-E85 HydrophobicContact CD-CG 4.07Å; K76-E85 WeakPolarHBondContact CD-OE1 3.31Å; K76-E85 PolarHBondContact N-O 2.89Å; K76-E85 VanDerWaalsContact N-O 3.08Å; K76-E85 IonicContact NZ-OE1 3.04Å; K76-E85 PolarHBondContact NZ-OE1 3.4Å; K76-E85 PolarHBondContact O-N 2.77Å
86C98.1Very high96.7Very high8 Ų854.3 Ų54.35%0.05433%0.326CS..EExtended strand (participates in β ladder)trans-101.1150.3179.8-53.20000111.1R66 C68 F72 M73R66-C86 PolarHBondContact NE-SG 2.97Å; C68-C86 WeakPolarHBondContact CA-SG 3.47Å; C68-C86 HydrophobicContact CB-CB 3.87Å; C68-C86 WeakPolarHBondContact CB-SG 3.36Å; C68-C86 WeakPolarHBondContact SG-CA 3.43Å; C68-C86 WeakPolarHBondContact SG-CB 3.37Å; C68-C86 CovalentContact SG-SG 2.03Å; C68-C86 PolarHBondContact SG-SG 2.84Å; F72-C86 HydrophobicContact CB-CB 4.19Å; F72-C86 HydrophobicContact CD1-CB 4.19Å; M73-C86 CarbonylContact O-C 3.44Å; M73-C86 WeakPolarHBondContact O-CA 3.24Å
87D97.6Very high96.6Very high54 Ų5454.5 Ų54.529%0.28934%0.343SS..EExtended strand (participates in β ladder)trans-125.5173.8167.7-160.1-5000108.9F72 M73 R75 C94F72-D87 CarbonylContact C-O 3.44Å; F72-D87 VanDerWaalsContact CA-O 3.24Å; F72-D87 WeakPolarHBondContact CA-O 3.36Å; M73-D87 HydrophobicContact CE-CB 3.79Å; M73-D87 HydrophobicContact CG-CB 4.07Å; M73-D87 PolarHBondContact N-O 3.36Å; M73-D87 PolarHBondContact O-N 3.23Å; R75-D87 HydrophobicContact CB-CB 4.13Å; D87-C94 PolarHBondContact OD1-SG 3.4Å
88C97.8Very high96.4Very high7 Ų755.7 Ų55.75%0.04735%0.348CS..EExtended strand (participates in β ladder)trans-90.4148.9176.5-610000111.7C102C88-C102 WeakPolarHBondContact CA-SG 3.1Å; C88-C102 HydrophobicContact CB-CB 3.89Å; C88-C102 WeakPolarHBondContact CB-SG 3Å; C88-C102 WeakPolarHBondContact SG-CA 3.47Å; C88-C102 WeakPolarHBondContact SG-CB 3.35Å; C88-C102 CovalentContact SG-SG 2.03Å; C88-C102 PolarHBondContact SG-SG 3.41Å
89I97.3Very high96.3Very high66 Ų6654.3 Ų54.334%0.33834%0.339SS..PPolyproline II helixtrans-63.2160.9170.861.7174.2000111.6V71 M73 G91 Y92V71-I89 PolarHBondContact O-N 3.08Å; M73-I89 HydrophobicContact CB-CG2 4.34Å; I89-G91 PolarHBondContact O-N 2.77Å; I89-Y92 HydrophobicContact CD1-CD2 4.18Å; I89-Y92 HydrophobicContact CD1-CE2 4.13Å; I89-Y92 HydrophobicContact CG1-CD2 3.71Å; I89-Y92 HydrophobicContact CG1-CE2 4.17Å; I89-Y92 HydrophobicContact CG1-CG 4.47Å; I89-Y92 WeakPolarHBondContact O-CB 3.37Å; I89-Y92 PolarHBondContact O-N 2.66Å; I89-Y92 VanDerWaalsContact O-N 3.09Å
90S95.5Very high96.2Very high124 Ų12455.8 Ų55.887%0.86735%0.35SS*.THydrogen-bonded Turntrans-52.2132.3177.5-630000112.7
91G93.7Very high96.1Very high41 Ų4157.6 Ų57.642%0.42335%0.353SS..THydrogen-bonded Turntrans90.26.9-175.500000114I89 D105I89-G91 PolarHBondContact O-N 2.77Å; G91-D105 PolarHBondContact O-N 3Å
92Y95.5Very high96Very high75 Ų7555.3 Ų55.329%0.29434%0.339SS..EExtended strand (participates in β ladder)trans-132.7163.5172.5-68.5-102.5000110.1I89 C102 E103 Q104I89-Y92 HydrophobicContact CD1-CD2 4.18Å; I89-Y92 HydrophobicContact CD1-CE2 4.13Å; I89-Y92 HydrophobicContact CG1-CD2 3.71Å; I89-Y92 HydrophobicContact CG1-CE2 4.17Å; I89-Y92 HydrophobicContact CG1-CG 4.47Å; I89-Y92 WeakPolarHBondContact O-CB 3.37Å; I89-Y92 PolarHBondContact O-N 2.66Å; I89-Y92 VanDerWaalsContact O-N 3.09Å; Y92-C102 HydrophobicContact CD1-CB 4.13Å; Y92-C102 HydrophobicContact CG-CB 4.47Å; Y92-E103 CarbonylContact C-O 3.47Å; Y92-E103 WeakPolarHBondContact CA-O 3.31Å; Y92-Q104 HydrophobicContact CD1-CB 4.08Å; Y92-Q104 HydrophobicContact CE1-CB 3.83Å; Y92-Q104 HydrophobicContact CE1-CG 4.22Å
93H94.6Very high95.9Very high22 Ų2257.3 Ų57.310%0.10235%0.345CS..EExtended strand (participates in β ladder)trans-137.8150.8175.772.3-91.8000112.9L95 C102 E103 D105 R130H93-L95 PolarHBondContact O-N 3.04Å; H93-C102 WeakPolarHBondContact O-CA 3.26Å; H93-E103 IonicContact CE1-OE2 3.49Å; H93-E103 PolarHBondContact CE1-OE2 2.04Å; H93-E103 VanDerWaalsContact CE1-OE2 3.24Å; H93-E103 PolarHBondContact N-O 2.84Å; H93-E103 PolarHBondContact ND1-O 2.86Å; H93-E103 IonicContact NE2-OE2 2.9Å; H93-E103 PolarHBondContact NE2-OE2 3.48Å; H93-E103 PolarHBondContact O-N 3.41Å; H93-D105 IonicContact CE1-OD1 2.84Å; H93-D105 IonicContact CG-OD1 3.24Å; H93-D105 IonicContact ND1-OD1 3.35Å; H93-D105 PolarHBondContact ND1-OD1 2.79Å; H93-R130 VanDerWaalsContact CG-CZ 3.48Å; H93-R130 VanDerWaalsContact CG-NE 3.32Å; H93-R130 PolarHBondContact ND1-NE 2.98Å
94C96.5Very high95.8Very high51 Ų5159.3 Ų59.335%0.34535%0.353SS..EExtended strand (participates in β ladder)trans-67.4130.9178.5-69.30000111.8D87 C99D87-C94 PolarHBondContact OD1-SG 3.4Å; C94-C99 VanDerWaalsContact CA-SG 3.53Å; C94-C99 HydrophobicContact CB-CB 3.6Å; C94-C99 WeakPolarHBondContact CB-SG 3.45Å; C94-C99 WeakPolarHBondContact SG-CB 3.3Å; C94-C99 CovalentContact SG-SG 2.03Å; C94-C99 PolarHBondContact SG-SG 3.37Å
95L94.4Very high95.6Very high65 Ų6560.5 Ų60.534%0.3436%0.359SS..EExtended strand (participates in β ladder)trans-125.5134.1172-153.5150.3000108.8H93 M101 E103H93-L95 PolarHBondContact O-N 3.04Å; L95-M101 HydrophobicContact CB-CE 4.22Å; L95-M101 HydrophobicContact CD1-CE 4.36Å; L95-M101 HydrophobicContact CD2-CE 3.83Å; L95-M101 HydrophobicContact CG-CE 4.35Å; L95-M101 PolarHBondContact N-O 3Å; L95-M101 PolarHBondContact O-N 3.43Å; L95-M101 VanDerWaalsContact O-N 3.13Å; L95-E103 HydrophobicContact CB-CB 4.46Å; L95-E103 HydrophobicContact CD1-CB 4Å; L95-E103 HydrophobicContact CD1-CG 4.42Å; L95-E103 WeakPolarHBondContact CD1-OE2 3.17Å
96G94.1Very high95.6Very high53 Ų5357.7 Ų57.755%0.54635%0.346SS..SBendtrans88.8173.4-177.500000114.7C99G96-C99 PolarHBondContact O-N 3.14Å
97A93.9Very high95.5Very high86 Ų8664.6 Ų64.671%0.71138%0.376SS*.G310 helixtrans-64.6140.7177.700000110.6C99 S100A97-C99 PolarHBondContact O-N 2.64Å; A97-C99 VanDerWaalsContact O-N 3.08Å; A97-S100 PolarHBondContact O-N 3.41Å
98E93.4Very high95.5Very high161 Ų16167.1 Ų67.175%0.75239%0.386SS*.G310 helixtrans52.828.3-178.7-57.5-176.6-176.700114.1R66 S100R66-E98 PolarHBondContact NH1-O 3.44Å; E98-S100 PolarHBondContact O-N 2.01Å
99C96.4Very high95.4Very high10 Ų1066.9 Ų66.97%0.06838%0.384CS..G310 helixtrans54.451.2-177.6-164.70000112.1R66 F72 C94 G96 A97 M101R66-C99 PolarHBondContact NH2-O 3.5Å; F72-C99 VanDerWaalsContact CE1-O 3.23Å; F72-C99 WeakPolarHBondContact CE1-O 3.43Å; C94-C99 VanDerWaalsContact CA-SG 3.53Å; C94-C99 HydrophobicContact CB-CB 3.6Å; C94-C99 WeakPolarHBondContact CB-SG 3.45Å; C94-C99 WeakPolarHBondContact SG-CB 3.3Å; C94-C99 CovalentContact SG-SG 2.03Å; C94-C99 PolarHBondContact SG-SG 3.37Å; G96-C99 PolarHBondContact O-N 3.14Å; A97-C99 PolarHBondContact O-N 2.64Å; A97-C99 VanDerWaalsContact O-N 3.08Å; C99-M101 PolarHBondContact O-N 3.35Å
100S95.5Very high95.5Very high78 Ų7865.5 Ų65.555%0.54538%0.376SS..  trans-67.9-23.6-179.759.40000113.2F72 A97 E98F72-S100 WeakPolarHBondContact CZ-O 3.11Å; A97-S100 PolarHBondContact O-N 3.41Å; E98-S100 PolarHBondContact O-N 2.01Å
101M95.6Very high95.5Very high98 Ų9861.4 Ų61.448%0.48334%0.344SS..EExtended strand (participates in β ladder)trans-135.7148178.2-169.5168.565.600111.4L95 C99L95-M101 HydrophobicContact CB-CE 4.22Å; L95-M101 HydrophobicContact CD1-CE 4.36Å; L95-M101 HydrophobicContact CD2-CE 3.83Å; L95-M101 HydrophobicContact CG-CE 4.35Å; L95-M101 PolarHBondContact N-O 3Å; L95-M101 PolarHBondContact O-N 3.43Å; L95-M101 VanDerWaalsContact O-N 3.13Å; C99-M101 PolarHBondContact O-N 3.35Å
102C96Very high95.6Very high18 Ų1862.1 Ų62.112%0.12234%0.337CS..EExtended strand (participates in β ladder)trans-107.6120170.7-70.30000110V71 F72 C88 Y92 H93V71-C102 HydrophobicContact CB-CB 4.26Å; V71-C102 HydrophobicContact CG2-CB 3.86Å; F72-C102 WeakPolarHBondContact CD1-SG 3.13Å; F72-C102 HydrophobicContact CE1-CB 4.44Å; F72-C102 WeakPolarHBondContact CE1-SG 3.4Å; C88-C102 WeakPolarHBondContact CA-SG 3.1Å; C88-C102 HydrophobicContact CB-CB 3.89Å; C88-C102 WeakPolarHBondContact CB-SG 3Å; C88-C102 WeakPolarHBondContact SG-CA 3.47Å; C88-C102 WeakPolarHBondContact SG-CB 3.35Å; C88-C102 CovalentContact SG-SG 2.03Å; C88-C102 PolarHBondContact SG-SG 3.41Å; Y92-C102 HydrophobicContact CD1-CB 4.13Å; Y92-C102 HydrophobicContact CG-CB 4.47Å; H93-C102 WeakPolarHBondContact O-CA 3.26Å
103E94.6Very high95.5Very high68 Ų6860.8 Ų60.832%0.31834%0.337SS..EExtended strand (participates in β ladder)trans-101.9137.2175.7-176.3169.9-103.400110.1Y92 H93 L95 D105 L112Y92-E103 CarbonylContact C-O 3.47Å; Y92-E103 WeakPolarHBondContact CA-O 3.31Å; H93-E103 IonicContact CE1-OE2 3.49Å; H93-E103 PolarHBondContact CE1-OE2 2.04Å; H93-E103 VanDerWaalsContact CE1-OE2 3.24Å; H93-E103 PolarHBondContact N-O 2.84Å; H93-E103 PolarHBondContact ND1-O 2.86Å; H93-E103 IonicContact NE2-OE2 2.9Å; H93-E103 PolarHBondContact NE2-OE2 3.48Å; H93-E103 PolarHBondContact O-N 3.41Å; L95-E103 HydrophobicContact CB-CB 4.46Å; L95-E103 HydrophobicContact CD1-CB 4Å; L95-E103 HydrophobicContact CD1-CG 4.42Å; L95-E103 WeakPolarHBondContact CD1-OE2 3.17Å; E103-D105 PolarHBondContact O-N 2.81Å; E103-L112 HydrophobicContact CG-CD2 3.25Å; E103-L112 WeakPolarHBondContact OE1-CD2 3.25Å
104Q95.3Very high95.3Very high84 Ų8470.4 Ų70.439%0.39338%0.379SS..EExtended strand (participates in β ladder)trans-68.4130.9-176.5-170.5-174.7-58.700110.7Y92 L112 C117Y92-Q104 HydrophobicContact CD1-CB 4.08Å; Y92-Q104 HydrophobicContact CE1-CB 3.83Å; Y92-Q104 HydrophobicContact CE1-CG 4.22Å; Q104-L112 HydrophobicContact CB-CD1 4.42Å; Q104-C117 PolarHBondContact NE2-SG 3.37Å
105D95.4Very high95.1Very high33 Ų3377.8 Ų77.818%0.17641%0.405CS..PPolyproline II helixtrans-76.4138.1168.7-72.8-31.4000109.9G91 H93 E103 R130G91-D105 PolarHBondContact O-N 3Å; H93-D105 IonicContact CE1-OD1 2.84Å; H93-D105 IonicContact CG-OD1 3.24Å; H93-D105 IonicContact ND1-OD1 3.35Å; H93-D105 PolarHBondContact ND1-OD1 2.79Å; E103-D105 PolarHBondContact O-N 2.81Å; D105-R130 WeakPolarHBondContact OD1-CG 3.31Å; D105-R130 IonicContact OD1-CZ 3.83Å; D105-R130 IonicContact OD1-NE 3.78Å; D105-R130 PolarHBondContact OD1-NE 3.48Å; D105-R130 IonicContact OD1-NH2 2.84Å; D105-R130 IonicContact OD2-NH2 3.54Å
106C95.9Very high95Very high9 Ų975.7 Ų75.76%0.06140%0.399CS..PPolyproline II helixtrans-96.9171.9173.1-62.90000111.3Q110 C117 K129C106-Q110 HydrophobicContact CB-CB 3.89Å; C106-C117 WeakPolarHBondContact CA-SG 3.44Å; C106-C117 HydrophobicContact CB-CB 3.85Å; C106-C117 WeakPolarHBondContact CB-SG 3.33Å; C106-C117 VanDerWaalsContact SG-CA 3.52Å; C106-C117 WeakPolarHBondContact SG-CB 3.38Å; C106-C117 CovalentContact SG-SG 2.04Å; C106-C117 PolarHBondContact SG-SG 2.82Å; C106-K129 PolarHBondContact N-O 2.96Å; C106-K129 VanDerWaalsContact O-CA 3.29Å; C106-K129 WeakPolarHBondContact O-CA 3.03Å; C106-K129 VanDerWaalsContact O-CB 3.22Å; C106-K129 WeakPolarHBondContact O-CB 3.46Å; C106-K129 WeakPolarHBondContact O-CG 3.38Å
107K96.4Very high95.2Very high154 Ų15475 Ų7567%0.6739%0.385SS*.PPolyproline II helixtrans-80.2163171.5-60.8179.4-177.8178.10110Q110K107-Q110 HydrophobicContact CB-CG 4.24Å; K107-Q110 WeakPolarHBondContact O-CB 3.42Å; K107-Q110 PolarHBondContact O-N 3.11Å; K107-Q110 VanDerWaalsContact O-N 3.09Å
108Q97.1Very high95.3Very high107 Ų10775.5 Ų75.550%0.537%0.372SS..THydrogen-bonded Turntrans-57.2143.6165.2-68.5179.8-21.900109.4Q110 D127 E153Q108-Q110 PolarHBondContact O-N 3.49Å; Q108-D127 WeakPolarHBondContact CG-O 3.07Å; Q108-D127 PolarHBondContact NE2-O 3.48Å; Q108-E153 HydrophobicContact CB-CB 4.12Å; Q108-E153 HydrophobicContact CB-CG 3.98Å
109G97.2Very high95.5Very high2 Ų271.4 Ų71.42%0.02136%0.355CS..THydrogen-bonded Turntrans71.416.2-171.500000115.4C120 N126 K152G109-C120 VanDerWaalsContact C-SG 3.52Å; G109-C120 PolarHBondContact O-N 3.49Å; G109-C120 PolarHBondContact O-SG 3.21Å; G109-C120 VanDerWaalsContact O-SG 3.41Å; G109-N126 PolarHBondContact N-O 3.4Å; G109-K152 WeakPolarHBondContact CA-O 2.97Å
110Q97.9Very high95.6Very high36 Ų3671.1 Ų71.117%0.16835%0.353CS..EExtended strand (participates in β ladder)trans-126.7156.7170.2-55.4-171.2-48.200110.8C106 K107 Q108 K118 D119 N126C106-Q110 HydrophobicContact CB-CB 3.89Å; K107-Q110 HydrophobicContact CB-CG 4.24Å; K107-Q110 WeakPolarHBondContact O-CB 3.42Å; K107-Q110 PolarHBondContact O-N 3.11Å; K107-Q110 VanDerWaalsContact O-N 3.09Å; Q108-Q110 PolarHBondContact O-N 3.49Å; Q110-K118 CarbonylContact C-O 3.39Å; Q110-K118 WeakPolarHBondContact CA-O 3.43Å; Q110-K118 WeakPolarHBondContact CB-O 3.02Å; Q110-D119 WeakPolarHBondContact CG-OD1 3.31Å; Q110-D119 PolarHBondContact NE2-OD1 3.33Å; Q110-N126 PolarHBondContact O-ND2 3.44Å
111E96.3Very high95.7Very high39 Ų3970.9 Ų70.918%0.18235%0.35CS..EExtended strand (participates in β ladder)trans-122.9151.5169.163.1-178.1-174.500110.2T113 C117 K118 C133E111-T113 HydrophobicContact CG-CG2 4.17Å; E111-C117 WeakPolarHBondContact O-CA 3.37Å; E111-K118 PolarHBondContact N-O 2.72Å; E111-K118 PolarHBondContact O-N 3.35Å; E111-C133 WeakPolarHBondContact OE2-CB 3.24Å; E111-C133 PolarHBondContact OE2-N 3.34Å
112L95.7Very high95.8Very high55 Ų5575.3 Ų75.329%0.28837%0.367SS..EExtended strand (participates in β ladder)trans-81126.3175.1-170.869.2000109.9E103 Q104E103-L112 HydrophobicContact CG-CD2 3.25Å; E103-L112 WeakPolarHBondContact OE1-CD2 3.25Å; Q104-L112 HydrophobicContact CB-CD1 4.42Å
113T93.3Very high95.8Very high48 Ų4875.6 Ų75.629%0.29437%0.373SS..EExtended strand (participates in β ladder)trans-119.5171.9174.875.40000110.7E111 K115 G116 K118E111-T113 HydrophobicContact CG-CG2 4.17Å; T113-K115 PolarHBondContact O-N 3.46Å; T113-K115 PolarHBondContact OG1-N 2.91Å; T113-G116 WeakPolarHBondContact CB-O 3.47Å; T113-G116 PolarHBondContact N-O 3.16Å; T113-G116 PolarHBondContact O-N 3.28Å; T113-G116 PolarHBondContact OG1-O 2.95Å; T113-K118 HydrophobicContact CG2-CB 3.68Å; T113-K118 HydrophobicContact CG2-CD 4.1Å
114K90.9Very high96Very high224 Ų22473.7 Ų73.797%0.97437%0.366SS*.THydrogen-bonded Turntrans-56.5-21.4173.7-64-175-179.9-178.70113.8
115K92.6Very high96.1Very high206 Ų20670.8 Ų70.890%0.89635%0.352SS*.THydrogen-bonded Turntrans-99.48.8178.2-62.9-174.6179.2-177.90112.9T113T113-K115 PolarHBondContact O-N 3.46Å; T113-K115 PolarHBondContact OG1-N 2.91Å
116G92.2Very high96.2Very high21 Ų2169.5 Ų69.522%0.21635%0.345CS..EExtended strand (participates in β ladder)trans99.4-166.6-173.400000112.8T113 K118T113-G116 WeakPolarHBondContact CB-O 3.47Å; T113-G116 PolarHBondContact N-O 3.16Å; T113-G116 PolarHBondContact O-N 3.28Å; T113-G116 PolarHBondContact OG1-O 2.95Å; G116-K118 PolarHBondContact O-N 2.82Å
117C96.8Very high96.3Very high37 Ų3772.9 Ų72.925%0.2536%0.363CS..EExtended strand (participates in β ladder)trans-65.9129.7-178.1-62.30000111.5Q104 C106 E111Q104-C117 PolarHBondContact NE2-SG 3.37Å; C106-C117 WeakPolarHBondContact CA-SG 3.44Å; C106-C117 HydrophobicContact CB-CB 3.85Å; C106-C117 WeakPolarHBondContact CB-SG 3.33Å; C106-C117 VanDerWaalsContact SG-CA 3.52Å; C106-C117 WeakPolarHBondContact SG-CB 3.38Å; C106-C117 CovalentContact SG-SG 2.04Å; C106-C117 PolarHBondContact SG-SG 2.82Å; E111-C117 WeakPolarHBondContact O-CA 3.37Å
118K96.7Very high96.2Very high98 Ų9870.5 Ų70.543%0.42635%0.354SS..EExtended strand (participates in β ladder)trans-122.3135.1177.5-176-167.1166.5-1610109.1Q110 E111 T113 G116Q110-K118 CarbonylContact C-O 3.39Å; Q110-K118 WeakPolarHBondContact CA-O 3.43Å; Q110-K118 WeakPolarHBondContact CB-O 3.02Å; E111-K118 PolarHBondContact N-O 2.72Å; E111-K118 PolarHBondContact O-N 3.35Å; T113-K118 HydrophobicContact CG2-CB 3.68Å; T113-K118 HydrophobicContact CG2-CD 4.1Å; G116-K118 PolarHBondContact O-N 2.82Å
119D97.9Very high96Very high75 Ų7571.9 Ų71.940%0.40136%0.358SS..EExtended strand (participates in β ladder)trans-60.9142.8172.3-7715000112.3Q110 K152Q110-D119 WeakPolarHBondContact CG-OD1 3.31Å; Q110-D119 PolarHBondContact NE2-OD1 3.33Å; D119-K152 HydrophobicContact CB-CD 4.42Å; D119-K152 IonicContact OD2-NZ 2.89Å; D119-K152 PolarHBondContact OD2-NZ 3Å
120C98Very high95.8Very high4 Ų478 Ų783%0.02738%0.381CS..PPolyproline II helixtrans-59.5138.4170.2-64.90000111G109 T124 C133 K152G109-C120 VanDerWaalsContact C-SG 3.52Å; G109-C120 PolarHBondContact O-N 3.49Å; G109-C120 PolarHBondContact O-SG 3.21Å; G109-C120 VanDerWaalsContact O-SG 3.41Å; C120-T124 WeakPolarHBondContact CB-OG1 3.41Å; C120-C133 WeakPolarHBondContact CA-SG 3.34Å; C120-C133 HydrophobicContact CB-CB 3.8Å; C120-C133 WeakPolarHBondContact CB-SG 3.41Å; C120-C133 WeakPolarHBondContact SG-CB 3.3Å; C120-C133 CovalentContact SG-SG 2.04Å; C120-C133 PolarHBondContact SG-SG 2.95Å; C120-K152 HydrophobicContact CB-CB 4.18Å; C120-K152 HydrophobicContact CB-CG 4.28Å; C120-K152 VanDerWaalsContact O-CE 3.25Å; C120-K152 WeakPolarHBondContact O-CE 3.12Å
121C97.3Very high95.5Very high72 Ų7278.1 Ų78.149%0.48639%0.391SS..PPolyproline II helixtrans-72.5160175.2-65.90000110.5G123 T124C121-G123 PolarHBondContact O-N 3.45Å; C121-T124 PolarHBondContact N-OG1 2.91Å; C121-T124 VanDerWaalsContact N-OG1 3.13Å; C121-T124 PolarHBondContact O-N 3.36Å; C121-T124 PolarHBondContact O-OG1 2.82Å
122F97.4Very high95.5Very high192 Ų19280.2 Ų80.284%0.84241%0.407SS*.THydrogen-bonded Turntrans-56.5138.5174.2-175.9-92.8000110.7T124 W136F122-T124 VanDerWaalsContact C-N 3.32Å; F122-W136 HydrophobicContact CD2-CH2 4.02Å; F122-W136 HydrophobicContact CE1-CZ3 4.15Å; F122-W136 AromaticContact CE2-CH2 3.74Å; F122-W136 HydrophobicContact CE2-CH2 3.74Å; F122-W136 HydrophobicContact CE2-CZ3 4.05Å; F122-W136 HydrophobicContact CZ-CH2 4.03Å; F122-W136 AromaticContact CZ-CZ3 3.84Å; F122-W136 HydrophobicContact CZ-CZ3 3.84Å
123G96.8Very high95.6Very high23 Ų2378.7 Ų78.724%0.23740%0.4CS..THydrogen-bonded Turntrans84.62.1-173.100000114.4C121 P135 W136C121-G123 PolarHBondContact O-N 3.45Å; G123-P135 CarbonylContact O-C 3.48Å; G123-P135 WeakPolarHBondContact O-CA 3.07Å; G123-W136 PolarHBondContact O-N 3.26Å
124T98.3Very high95.8Very high29 Ų2983.8 Ų83.818%0.17841%0.414CS..EExtended strand (participates in β ladder)trans-130.8156.7177.467.60000112C120 C121 F122 R134C120-T124 WeakPolarHBondContact CB-OG1 3.41Å; C121-T124 PolarHBondContact N-OG1 2.91Å; C121-T124 VanDerWaalsContact N-OG1 3.13Å; C121-T124 PolarHBondContact O-N 3.36Å; C121-T124 PolarHBondContact O-OG1 2.82Å; F122-T124 VanDerWaalsContact C-N 3.32Å; T124-R134 CarbonylContact C-O 3.59Å; T124-R134 WeakPolarHBondContact CA-O 3.33Å; T124-R134 VanDerWaalsContact CB-O 3.26Å; T124-R134 WeakPolarHBondContact CB-O 3.08Å
125F98.3Very high96.2Very high23 Ų2377.8 Ų77.810%0.10140%0.398CS..EExtended strand (participates in β ladder)trans-142.6158.4177.180.8-72.8000113D127 C133 R134 W136 T151 K152 D155F125-D127 HydrophobicContact CD2-CB 4.41Å; F125-D127 HydrophobicContact CE2-CB 4.33Å; F125-C133 WeakPolarHBondContact O-CA 3.17Å; F125-R134 WeakPolarHBondContact CD1-O 3.5Å; F125-R134 HydrophobicContact CE1-CB 4.39Å; F125-R134 PolarHBondContact N-O 3.49Å; F125-R134 PolarHBondContact O-N 3.43Å; F125-W136 AromaticContact CD1-CD1 3.69Å; F125-T151 WeakPolarHBondContact CB-O 3.46Å; F125-K152 CarbonylContact C-O 3.48Å; F125-K152 WeakPolarHBondContact CA-O 3.32Å; F125-K152 WeakPolarHBondContact CB-O 3.15Å; F125-D155 HydrophobicContact CD1-CB 4.09Å; F125-D155 HydrophobicContact CD2-CB 4.26Å; F125-D155 HydrophobicContact CE1-CB 3.6Å; F125-D155 HydrophobicContact CE2-CB 3.8Å; F125-D155 HydrophobicContact CG-CB 4.39Å; F125-D155 HydrophobicContact CZ-CB 3.44Å; F125-D155 VanDerWaalsContact CZ-CB 3.44Å
126N98.1Very high96.4Very high5 Ų570.7 Ų70.73%0.02737%0.366CS..  trans-141.2114.2166.1-175.29.3000109.1G109 Q110 Q128 K152G109-N126 PolarHBondContact N-O 3.4Å; Q110-N126 PolarHBondContact O-ND2 3.44Å; N126-Q128 VanDerWaalsContact C-N 3.31Å; N126-Q128 PolarHBondContact ND2-O 2.93Å; N126-Q128 PolarHBondContact OD1-N 3.32Å; N126-Q128 VanDerWaalsContact OD1-N 3.11Å; N126-Q128 PolarHBondContact OD1-O 3.26Å; N126-K152 PolarHBondContact N-O 3.44Å
127D97.1Very high96.7Very high81 Ų8173.1 Ų73.143%0.43338%0.377SS..  trans-84.9-6.4-178.962.1-17.4000113.3Q108 F125 E153Q108-D127 WeakPolarHBondContact CG-O 3.07Å; Q108-D127 PolarHBondContact NE2-O 3.48Å; F125-D127 HydrophobicContact CD2-CB 4.41Å; F125-D127 HydrophobicContact CE2-CB 4.33Å; D127-E153 VanDerWaalsContact CA-O 3.26Å; D127-E153 WeakPolarHBondContact CA-O 2.96Å; D127-E153 WeakPolarHBondContact CB-O 3.08Å
128Q95.5Very high96.7Very high103 Ų10375.6 Ų75.648%0.48139%0.388SS..SBendtrans-110.4155.6-177.7-67.4165.653.700111.4N126 R130N126-Q128 VanDerWaalsContact C-N 3.31Å; N126-Q128 PolarHBondContact ND2-O 2.93Å; N126-Q128 PolarHBondContact OD1-N 3.32Å; N126-Q128 VanDerWaalsContact OD1-N 3.11Å; N126-Q128 PolarHBondContact OD1-O 3.26Å; Q128-R130 WeakPolarHBondContact CB-O 3.4Å; Q128-R130 PolarHBondContact O-N 3.28Å; Q128-R130 PolarHBondContact OE1-O 2.96Å
129K92.6Very high96.6Very high137 Ų13771.1 Ų71.160%0.59637%0.368SS*.SBendtrans-72.9-18.6169.6-65.6-176.1-178.3178.50112.8C106C106-K129 PolarHBondContact N-O 2.96Å; C106-K129 VanDerWaalsContact O-CA 3.29Å; C106-K129 WeakPolarHBondContact O-CA 3.03Å; C106-K129 VanDerWaalsContact O-CB 3.22Å; C106-K129 WeakPolarHBondContact O-CB 3.46Å; C106-K129 WeakPolarHBondContact O-CG 3.38Å
130R91.6Very high96.4Very high130 Ų13072 Ų7249%0.49138%0.38SS..SBendtrans-125.1127.9178.4-57.8-178.6-167.1163.310.6107.3H93 D105 Q128H93-R130 VanDerWaalsContact CG-CZ 3.48Å; H93-R130 VanDerWaalsContact CG-NE 3.32Å; H93-R130 PolarHBondContact ND1-NE 2.98Å; D105-R130 WeakPolarHBondContact OD1-CG 3.31Å; D105-R130 IonicContact OD1-CZ 3.83Å; D105-R130 IonicContact OD1-NE 3.78Å; D105-R130 PolarHBondContact OD1-NE 3.48Å; D105-R130 IonicContact OD1-NH2 2.84Å; D105-R130 IonicContact OD2-NH2 3.54Å; Q128-R130 WeakPolarHBondContact CB-O 3.4Å; Q128-R130 PolarHBondContact O-N 3.28Å; Q128-R130 PolarHBondContact OE1-O 2.96Å
131G92.1Very high96.2Very high38 Ų3878.6 Ų78.639%0.39242%0.415SS..SBendtrans145.9-176.5-176.200000111.8
132V96.2Very high95.9Very high83 Ų8380.4 Ų80.450%0.50342%0.419SS..  trans-121.6149.4179.8-91.10000108.8R134V132-R134 WeakPolarHBondContact O-CG 3.42Å; V132-R134 PolarHBondContact O-N 3.47Å
133C97.9Very high95.5Very high23 Ų2374.2 Ų74.216%0.15541%0.41CS..  trans-67.2123.6178.4-62.80000109.8E111 C120 F125E111-C133 WeakPolarHBondContact OE2-CB 3.24Å; E111-C133 PolarHBondContact OE2-N 3.34Å; C120-C133 WeakPolarHBondContact CA-SG 3.34Å; C120-C133 HydrophobicContact CB-CB 3.8Å; C120-C133 WeakPolarHBondContact CB-SG 3.41Å; C120-C133 WeakPolarHBondContact SG-CB 3.3Å; C120-C133 CovalentContact SG-SG 2.04Å; C120-C133 PolarHBondContact SG-SG 2.95Å; F125-C133 WeakPolarHBondContact O-CA 3.17Å
134R98Very high95.4Very high155 Ų15577.3 Ų77.359%0.58542%0.417SS*.EExtended strand (participates in β ladder)trans-107.8147-179.3-58.4-175.9-174-1520.4110T124 F125 V132T124-R134 CarbonylContact C-O 3.59Å; T124-R134 WeakPolarHBondContact CA-O 3.33Å; T124-R134 VanDerWaalsContact CB-O 3.26Å; T124-R134 WeakPolarHBondContact CB-O 3.08Å; F125-R134 WeakPolarHBondContact CD1-O 3.5Å; F125-R134 HydrophobicContact CE1-CB 4.39Å; F125-R134 PolarHBondContact N-O 3.49Å; F125-R134 PolarHBondContact O-N 3.43Å; V132-R134 WeakPolarHBondContact O-CG 3.42Å; V132-R134 PolarHBondContact O-N 3.47Å
135P98.1Very high95.2Very high99 Ų9977.4 Ų77.464%0.64342%0.419SS*.EExtended strand (participates in β ladder)trans-62148.5176.627.4-34.2000111.3G123G123-P135 CarbonylContact O-C 3.48Å; G123-P135 WeakPolarHBondContact O-CA 3.07Å
136W98.3Very high95.1Very high57 Ų5779.7 Ų79.722%0.21643%0.434CS..PPolyproline II helixtrans-61.5147.7172.4-69.3-29.4000111.8F122 G123 F125 N138 G150 T151 D155 V156F122-W136 HydrophobicContact CD2-CH2 4.02Å; F122-W136 HydrophobicContact CE1-CZ3 4.15Å; F122-W136 AromaticContact CE2-CH2 3.74Å; F122-W136 HydrophobicContact CE2-CH2 3.74Å; F122-W136 HydrophobicContact CE2-CZ3 4.05Å; F122-W136 HydrophobicContact CZ-CH2 4.03Å; F122-W136 AromaticContact CZ-CZ3 3.84Å; F122-W136 HydrophobicContact CZ-CZ3 3.84Å; G123-W136 PolarHBondContact O-N 3.26Å; F125-W136 AromaticContact CD1-CD1 3.69Å; W136-N138 PolarHBondContact O-N 2.99Å; W136-G150 VanDerWaalsContact CZ2-C 3.42Å; W136-G150 WeakPolarHBondContact CZ2-O 3.49Å; W136-T151 PolarHBondContact NE1-O 3.35Å; W136-D155 WeakPolarHBondContact CA-OD1 2.93Å; W136-V156 HydrophobicContact CB-CB 4.47Å; W136-V156 HydrophobicContact CB-CG2 3.65Å; W136-V156 HydrophobicContact CD2-CG2 3.96Å; W136-V156 HydrophobicContact CE3-CG2 4.12Å; W136-V156 HydrophobicContact CG-CG2 3.76Å
137T97.3Very high95Very high72 Ų7284.5 Ų84.544%0.44246%0.459SS..PPolyproline II helixtrans-59.9130172.7-69.30000110.6C139 D155T137-C139 PolarHBondContact O-N 3.44Å; T137-D155 WeakPolarHBondContact CB-OD2 3.31Å; T137-D155 PolarHBondContact N-OD1 3.5Å; T137-D155 PolarHBondContact OG1-OD2 3.01Å
138N96.7Very high95Very high89 Ų8983.6 Ų83.648%0.47646%0.457SS..  trans-90.697.4177-173.7-16.3000110.7W136 S140 L141W136-N138 PolarHBondContact O-N 2.99Å; N138-S140 PolarHBondContact O-N 3.07Å; N138-S140 WeakPolarHBondContact OD1-CB 3.29Å; N138-S140 PolarHBondContact OD1-N 2.88Å; N138-S140 VanDerWaalsContact OD1-N 3.14Å; N138-L141 HydrophobicContact CB-CD1 3.98Å; N138-L141 HydrophobicContact CB-CG 4.07Å; N138-L141 PolarHBondContact O-N 3.03Å
139C95.6Very high95Very high3 Ų384.5 Ų84.52%0.0247%0.465CS..G310 helixtrans-61.9-27.7-178.1-55.70000114T137 L141 D142 K144 V146 V156 C158T137-C139 PolarHBondContact O-N 3.44Å; C139-L141 PolarHBondContact O-N 3.45Å; C139-D142 PolarHBondContact O-N 3.09Å; C139-K144 CarbonylContact C-O 3.38Å; C139-K144 HydrophobicContact CB-CB 4.16Å; C139-K144 PolarHBondContact O-N 3.45Å; C139-V146 HydrophobicContact CB-CG2 4.24Å; C139-V156 VanDerWaalsContact SG-CG1 3.53Å; C139-C158 WeakPolarHBondContact CA-SG 3.35Å; C139-C158 HydrophobicContact CB-CB 3.73Å; C139-C158 WeakPolarHBondContact CB-SG 3.31Å; C139-C158 WeakPolarHBondContact SG-CA 3.26Å; C139-C158 WeakPolarHBondContact SG-CB 3.18Å; C139-C158 CovalentContact SG-SG 2.04Å; C139-C158 PolarHBondContact SG-SG 2.92Å
140S94.3Very high95.2Very high94 Ų9478.4 Ų78.466%0.65744%0.441SS*.G310 helixtrans-66.8-22.8-177.9-55.50000112.9N138 D142 G143N138-S140 PolarHBondContact O-N 3.07Å; N138-S140 WeakPolarHBondContact OD1-CB 3.29Å; N138-S140 PolarHBondContact OD1-N 2.88Å; N138-S140 VanDerWaalsContact OD1-N 3.14Å; S140-D142 PolarHBondContact O-N 3.2Å; S140-G143 PolarHBondContact O-N 3.43Å
141L93.6Very high95.5Very high143 Ų14373.9 Ų73.975%0.74943%0.428SS*.G310 helixtrans-64.1-30.9175.9-65.5178.3000112.6N138 C139N138-L141 HydrophobicContact CB-CD1 3.98Å; N138-L141 HydrophobicContact CB-CG 4.07Å; N138-L141 PolarHBondContact O-N 3.03Å; C139-L141 PolarHBondContact O-N 3.45Å
142D90Very high95.8Very high109 Ų10975.8 Ų75.858%0.58343%0.425SS*.G310 helixtrans-97.48.5179-75.6-6000112.7C139 S140 K144C139-D142 PolarHBondContact O-N 3.09Å; S140-D142 PolarHBondContact O-N 3.2Å; D142-K144 HydrophobicContact CB-CB 4.49Å; D142-K144 HydrophobicContact CB-CD 3.83Å; D142-K144 HydrophobicContact CB-CG 4Å; D142-K144 PolarHBondContact O-N 2.97Å; D142-K144 IonicContact OD2-NZ 3.85Å; D142-K144 PolarHBondContact OD2-NZ 3.48Å
143G90.4Very high95.9Very high62 Ų6275.8 Ų75.864%0.63942%0.42SS*.THydrogen-bonded Turntrans65.518.4-171.600000113.8S140S140-G143 PolarHBondContact O-N 3.43Å
144K94.6Very high95.9Very high89 Ų8981.5 Ų81.539%0.38744%0.438SS..  trans-94.4157.3-179.9-68.4169.9-168154.20111C139 D142 C158 G159C139-K144 CarbonylContact C-O 3.38Å; C139-K144 HydrophobicContact CB-CB 4.16Å; C139-K144 PolarHBondContact O-N 3.45Å; D142-K144 HydrophobicContact CB-CB 4.49Å; D142-K144 HydrophobicContact CB-CD 3.83Å; D142-K144 HydrophobicContact CB-CG 4Å; D142-K144 PolarHBondContact O-N 2.97Å; D142-K144 IonicContact OD2-NZ 3.85Å; D142-K144 PolarHBondContact OD2-NZ 3.48Å; K144-C158 HydrophobicContact CB-CB 4.06Å; K144-C158 HydrophobicContact CD-CB 3.95Å; K144-G159 WeakPolarHBondContact CA-O 3.42Å; K144-G159 VanDerWaalsContact CB-O 3.3Å; K144-G159 WeakPolarHBondContact CB-O 3.29Å
145S93.9Very high95.9Very high31 Ų3176.1 Ų76.122%0.21742%0.421CS..EExtended strand (participates in β ladder)trans-96.3156.1170.872.70000110.9L147 C158 G159 P160S145-L147 PolarHBondContact O-N 2.92Å; S145-C158 WeakPolarHBondContact O-CA 3.14Å; S145-G159 PolarHBondContact N-O 3.43Å; S145-G159 PolarHBondContact O-N 2.99Å; S145-P160 PolarHBondContact OG-O 3.37Å
146V95.9Very high95.9Very high71 Ų7172.1 Ų72.143%0.4340%0.395SS..EExtended strand (participates in β ladder)trans-75.5114.6172.5175.40000108.6C139 N149 V156C139-V146 HydrophobicContact CB-CG2 4.24Å; V146-N149 WeakPolarHBondContact CG1-OD1 3.45Å; V146-V156 HydrophobicContact CB-CG1 4.23Å; V146-V156 HydrophobicContact CG1-CG1 3.64Å; V146-V156 HydrophobicContact CG2-CG1 3.83Å
147L95.2Very high95.8Very high105 Ų10573.1 Ų73.155%0.5541%0.407SS..EExtended strand (participates in β ladder)trans-84.1-42.5174.3-66.8-176.5000111.7S145 V157S145-L147 PolarHBondContact O-N 2.92Å; L147-V157 PolarHBondContact N-O 3.01Å
148V96.6Very high95.8Very high62 Ų6271.3 Ų71.338%0.37640%0.397SS..EExtended strand (participates in β ladder)trans-132.8125.9178.4-173.40000108.5V157V148-V157 HydrophobicContact CB-CB 3.95Å; V148-V157 HydrophobicContact CB-CG2 4.11Å; V148-V157 HydrophobicContact CG2-CB 4.24Å; V148-V157 HydrophobicContact CG2-CG2 4.5Å; V148-V157 PolarHBondContact N-O 3.31Å; V148-V157 PolarHBondContact O-N 3.39Å
149N96.9Very high95.6Very high122 Ų12267.3 Ų67.365%0.65238%0.377SS*.  trans-64.2142.4175.9-87.2-19.2000111.6V146V146-N149 WeakPolarHBondContact CG1-OD1 3.45Å
150G96.6Very high95.4Very high9 Ų970.7 Ų70.79%0.09340%0.398CS..  trans-66.8158.717200000111.6W136 R154W136-G150 VanDerWaalsContact CZ2-C 3.42Å; W136-G150 WeakPolarHBondContact CZ2-O 3.49Å; G150-R154 WeakPolarHBondContact CA-O 3.33Å
151T98Very high94.6Very high36 Ų3668 Ų6822%0.22138%0.379CS..  trans-127-173.7170.2720000108.9F125 W136 E153 R154F125-T151 WeakPolarHBondContact CB-O 3.46Å; W136-T151 PolarHBondContact NE1-O 3.35Å; T151-E153 VanDerWaalsContact CB-OE2 3.27Å; T151-E153 WeakPolarHBondContact CB-OE2 3.34Å; T151-E153 PolarHBondContact O-N 3.02Å; T151-E153 PolarHBondContact OG1-N 2.84Å; T151-E153 PolarHBondContact OG1-OE2 3.5Å; T151-R154 HydrophobicContact CG2-CG 4.12Å; T151-R154 PolarHBondContact N-O 2.98Å; T151-R154 WeakPolarHBondContact OG1-CG 3.28Å; T151-R154 PolarHBondContact OG1-N 3.47Å
152K98.1Very high93.4Very high78 Ų7865.8 Ų65.834%0.33937%0.374SS..SBendtrans-66.5-25.5172.7-64.3-179.9178.7176.30111G109 D119 C120 F125 N126G109-K152 WeakPolarHBondContact CA-O 2.97Å; D119-K152 HydrophobicContact CB-CD 4.42Å; D119-K152 IonicContact OD2-NZ 2.89Å; D119-K152 PolarHBondContact OD2-NZ 3Å; C120-K152 HydrophobicContact CB-CB 4.18Å; C120-K152 HydrophobicContact CB-CG 4.28Å; C120-K152 VanDerWaalsContact O-CE 3.25Å; C120-K152 WeakPolarHBondContact O-CE 3.12Å; F125-K152 CarbonylContact C-O 3.48Å; F125-K152 WeakPolarHBondContact CA-O 3.32Å; F125-K152 WeakPolarHBondContact CB-O 3.15Å; N126-K152 PolarHBondContact N-O 3.44Å
153E98Very high92Very high82 Ų8264.1 Ų64.138%0.38338%0.375SS..SBendtrans-99.4-19.2-173.5-50.774.9-159.200113.6Q108 D127 T151Q108-E153 HydrophobicContact CB-CB 4.12Å; Q108-E153 HydrophobicContact CB-CG 3.98Å; D127-E153 VanDerWaalsContact CA-O 3.26Å; D127-E153 WeakPolarHBondContact CA-O 2.96Å; D127-E153 WeakPolarHBondContact CB-O 3.08Å; T151-E153 VanDerWaalsContact CB-OE2 3.27Å; T151-E153 WeakPolarHBondContact CB-OE2 3.34Å; T151-E153 PolarHBondContact O-N 3.02Å; T151-E153 PolarHBondContact OG1-N 2.84Å; T151-E153 PolarHBondContact OG1-OE2 3.5Å
154R97.6Very high90.4Very high143 Ų14366.9 Ų66.954%0.5438%0.375SS..SBendtrans-140.4148.7-175.449.3168.7-175.5-175.16.3111.8G150 T151G150-R154 WeakPolarHBondContact CA-O 3.33Å; T151-R154 HydrophobicContact CG2-CG 4.12Å; T151-R154 PolarHBondContact N-O 2.98Å; T151-R154 WeakPolarHBondContact OG1-CG 3.28Å; T151-R154 PolarHBondContact OG1-N 3.47Å
155D98.3Very high88.6Confident42 Ų4268.7 Ų68.723%0.22539%0.389CS..PPolyproline II helixtrans-71.7165175.7-153.2-1.5000112.4F125 W136 T137F125-D155 HydrophobicContact CD1-CB 4.09Å; F125-D155 HydrophobicContact CD2-CB 4.26Å; F125-D155 HydrophobicContact CE1-CB 3.6Å; F125-D155 HydrophobicContact CE2-CB 3.8Å; F125-D155 HydrophobicContact CG-CB 4.39Å; F125-D155 HydrophobicContact CZ-CB 3.44Å; F125-D155 VanDerWaalsContact CZ-CB 3.44Å; W136-D155 WeakPolarHBondContact CA-OD1 2.93Å; T137-D155 WeakPolarHBondContact CB-OD2 3.31Å; T137-D155 PolarHBondContact N-OD1 3.5Å; T137-D155 PolarHBondContact OG1-OD2 3.01Å
156V97.7Very high86.5Confident16 Ų1671.6 Ų71.610%0.09741%0.409CS..PPolyproline II helixtrans-64137.1166.6175.10000109.9W136 C139 V146W136-V156 HydrophobicContact CB-CB 4.47Å; W136-V156 HydrophobicContact CB-CG2 3.65Å; W136-V156 HydrophobicContact CD2-CG2 3.96Å; W136-V156 HydrophobicContact CE3-CG2 4.12Å; W136-V156 HydrophobicContact CG-CG2 3.76Å; C139-V156 VanDerWaalsContact SG-CG1 3.53Å; V146-V156 HydrophobicContact CB-CG1 4.23Å; V146-V156 HydrophobicContact CG1-CG1 3.64Å; V146-V156 HydrophobicContact CG2-CG1 3.83Å
157V97.2Very high84.6Confident77 Ų7774.4 Ų74.447%0.46743%0.429SS..EExtended strand (participates in β ladder)trans-100118.7172.2-175.80000109.2L147 V148L147-V157 PolarHBondContact N-O 3.01Å; V148-V157 HydrophobicContact CB-CB 3.95Å; V148-V157 HydrophobicContact CB-CG2 4.11Å; V148-V157 HydrophobicContact CG2-CB 4.24Å; V148-V157 HydrophobicContact CG2-CG2 4.5Å; V148-V157 PolarHBondContact N-O 3.31Å; V148-V157 PolarHBondContact O-N 3.39Å
158C96.4Very high82.3Confident35 Ų3572.7 Ų72.724%0.23644%0.436CS..EExtended strand (participates in β ladder)trans-91152.4178.2-53.60000112C139 K144 S145C139-C158 WeakPolarHBondContact CA-SG 3.35Å; C139-C158 HydrophobicContact CB-CB 3.73Å; C139-C158 WeakPolarHBondContact CB-SG 3.31Å; C139-C158 WeakPolarHBondContact SG-CA 3.26Å; C139-C158 WeakPolarHBondContact SG-CB 3.18Å; C139-C158 CovalentContact SG-SG 2.04Å; C139-C158 PolarHBondContact SG-SG 2.92Å; K144-C158 HydrophobicContact CB-CB 4.06Å; K144-C158 HydrophobicContact CD-CB 3.95Å; S145-C158 WeakPolarHBondContact O-CA 3.14Å
159G93.1Very high80Confident5 Ų574.4 Ų74.45%0.05246%0.457CS..EExtended strand (participates in β ladder)trans-161.3177.7171.600000113.9K144 S145K144-G159 WeakPolarHBondContact CA-O 3.42Å; K144-G159 VanDerWaalsContact CB-O 3.3Å; K144-G159 WeakPolarHBondContact CB-O 3.29Å; S145-G159 PolarHBondContact N-O 3.43Å; S145-G159 PolarHBondContact O-N 2.99Å
160P90Very high77.4Confident73 Ų7374.4 Ų74.447%0.47447%0.467SS..  trans-57.6148.9-178.822.6-30.8000110.9S145S145-P160 PolarHBondContact OG-O 3.37Å
161S79.1Confident75.1Confident37 Ų3779.7 Ų79.726%0.25950%0.502SS..  trans-64.9142.3177.9-179.90000109.4A163 D164S161-A163 PolarHBondContact O-N 3.25Å; S161-A163 PolarHBondContact OG-N 2.05Å; S161-D164 WeakPolarHBondContact CB-OD2 3.49Å; S161-D164 PolarHBondContact N-OD2 2.84Å; S161-D164 PolarHBondContact O-N 3.09Å
162P67.1Low72.2Confident97 Ų9782.6 Ų82.663%0.6353%0.53SS*.THydrogen-bonded Turntrans-53.3-21.2169.7-25.433.8000113.5
163A61.2Low69.5Low75 Ų7585 Ų8562%0.6255%0.551SS**THydrogen-bonded Turntrans-70.9-26.7174.100000113.9S161S161-A163 PolarHBondContact O-N 3.25Å; S161-A163 PolarHBondContact OG-N 2.05Å
164D57.4Low67.1Low119 Ų11986.6 Ų86.664%0.63657%0.569SS**THydrogen-bonded Turntrans-84.3-13.5178.4-58.1-42.1000112.5S161 S166S161-D164 WeakPolarHBondContact CB-OD2 3.49Å; S161-D164 PolarHBondContact N-OD2 2.84Å; S161-D164 PolarHBondContact O-N 3.09Å; D164-S166 VanDerWaalsContact C-N 3.3Å
165L56.2Low64.5Low127 Ų12785.5 Ų85.567%0.66558%0.58SS**THydrogen-bonded Turntrans-89.76.9178.7-65.8174.1000113.1P167L165-P167 WeakPolarHBondContact O-CD 3.4Å
166S48.9Very low61.9Low92 Ų9288.2 Ų88.264%0.64361%0.609SS**SBendtrans-72.6122.8171.9-151.40000109.3D164 G168D164-S166 VanDerWaalsContact C-N 3.3Å; S166-G168 PolarHBondContact O-N 3.03Å
167P57.4Low59.4Low130 Ų13093.3 Ų93.384%0.84464%0.642SS**  trans-7677.9177.830.1-30.3000109.5L165 A169L165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-A169 PolarHBondContact O-N 3.02Å
168G45.4Very low56.5Low69 Ų6994.3 Ų94.371%0.71166%0.658SS**  trans-84.2102.5165.300000109.3S166 S170S166-G168 PolarHBondContact O-N 3.03Å; G168-S170 PolarHBondContact O-N 2.9Å
169A50.1Low53.9Low98 Ų98104.7 Ų104.781%0.8169%0.693SS**  trans-53.8126.6173.900000111.7P167P167-A169 PolarHBondContact O-N 3.02Å
170S42.3Very low51.3Low123 Ų123113 Ų11386%0.8673%0.73SS**  trans-155.4100.8146.2-81.60000109.5G168G168-S170 PolarHBondContact O-N 2.9Å
171S47.3Very low49.4Very low119 Ų119115.2 Ų115.283%0.83275%0.745SS**  trans-62.2130.7157.953.10000110.3
172A37.7Very low47.9Very low98 Ų98116.8 Ų116.881%0.8177%0.766SS**  trans-156.7114.5146.800000110.3
173T41.8Very low47.4Very low128 Ų128119.5 Ų119.579%0.78577%0.77SS**  trans-32.8140.5168.3-43.10000115.4
174P47.4Very low47.5Very low116 Ų116118.5 Ų118.575%0.75376%0.758SS**PPolyproline II helixtrans-81.1132.1163.630-28.3000111
175P41.9Very low47.6Very low119 Ų119118 Ų11877%0.77376%0.762SS**PPolyproline II helixtrans-81.2133.9165.730.6-27.1000110
176A45.2Very low48Very low100 Ų100118.3 Ų118.383%0.82676%0.76SS**PPolyproline II helixtrans-70.3143.316400000110.5
177P44.3Very low48.7Very low122 Ų122117.9 Ų117.979%0.79275%0.749SS**  trans-121.3131.515022.2-4.1000112.5
178A35.5Very low49.3Very low98 Ų98117 Ų11781%0.8174%0.736SS**  trans25.6124.9143.700000120.5
179R42.8Very low50.6Low254 Ų254120.1 Ų120.196%0.95873%0.731SS**  trans-66.9127.6157.6-73.5-179.7172.1137.1-2.2110.3
180E38.9Very low51.9Low178 Ų178121.4 Ų121.483%0.83272%0.718SS**  trans-127.1144.2156-97.8-91.5138.300107.2G182E180-G182 PolarHBondContact O-N 2.84Å
181P49.9Very low53.6Low121 Ų121120.9 Ų120.979%0.78671%0.705SS**  trans-82.485.2-164.632.3-32.5000112.2
182G47.8Very low55.3Low69 Ų69117.8 Ų117.871%0.71169%0.687SS**PPolyproline II helixtrans-92.9129.4170.400000112E180 S184E180-G182 PolarHBondContact O-N 2.84Å; G182-S184 PolarHBondContact O-N 3.29Å
183H56.8Low57.7Low155 Ų155117.1 Ų117.172%0.71867%0.669SS**PPolyproline II helixtrans-50.3131.1-177.4-81.661.5000113
184S62.1Low59.8Low53 Ų53114.9 Ų114.937%0.37166%0.655SS.*PPolyproline II helixtrans-46128.9-177.5179.40000112.7G182 Q186 I187G182-S184 PolarHBondContact O-N 3.29Å; S184-Q186 PolarHBondContact O-N 3.47Å; S184-I187 PolarHBondContact O-N 3.45Å
185P59.8Low61.8Low108 Ų108112.4 Ų112.470%0.70164%0.641SS**Hα-helixtrans-60.5-16.2-178.923.5-33.1000113.5F189P185-F189 PolarHBondContact O-N 2.7Å
186Q64.3Low64.2Low134 Ų134109.8 Ų109.863%0.62662%0.623SS**Hα-helixtrans-68-38.1172.3-64.1-169.2-600112.1S184 I188 F189 F190S184-Q186 PolarHBondContact O-N 3.47Å; Q186-I188 PolarHBondContact O-N 3.41Å; Q186-F189 PolarHBondContact O-N 3.43Å; Q186-F190 HydrophobicContact CB-CD2 4.39Å; Q186-F190 HydrophobicContact CB-CE2 4.19Å; Q186-F190 WeakPolarHBondContact O-CD2 3.46Å; Q186-F190 PolarHBondContact O-N 2.97Å
187I63.8Low66.4Low83 Ų83108.7 Ų108.743%0.42661%0.606SS.*Hα-helixtrans-67.9-40.7-176.3-60.8174.2000110.8S184 F189 F190 L191S184-I187 PolarHBondContact O-N 3.45Å; I187-F189 VanDerWaalsContact C-N 3.33Å; I187-F189 PolarHBondContact O-N 3.2Å; I187-F190 PolarHBondContact O-N 3.3Å; I187-L191 HydrophobicContact CG2-CD1 4Å; I187-L191 HydrophobicContact CG2-CG 4.47Å; I187-L191 WeakPolarHBondContact O-CB 3.27Å; I187-L191 WeakPolarHBondContact O-CG 3.38Å; I187-L191 PolarHBondContact O-N 3Å
188I69.4Low68.8Low112 Ų112106.7 Ų106.757%0.57459%0.591SS**Hα-helixtrans-64.1-40.8177.3-60.3174.7000110.4Q186 L191 A192Q186-I188 PolarHBondContact O-N 3.41Å; I188-L191 PolarHBondContact O-N 3.39Å; I188-A192 WeakPolarHBondContact O-CB 3.17Å; I188-A192 PolarHBondContact O-N 2.93Å
189F74.4Confident71.6Confident135 Ų135107.1 Ų107.159%0.59258%0.579SS**Hα-helixtrans-65.3-43.6177.4-173.7-98.8000112.4P185 Q186 I187 A192 L193P185-F189 PolarHBondContact O-N 2.7Å; Q186-F189 PolarHBondContact O-N 3.43Å; I187-F189 VanDerWaalsContact C-N 3.33Å; I187-F189 PolarHBondContact O-N 3.2Å; F189-A192 PolarHBondContact O-N 3.43Å; F189-L193 WeakPolarHBondContact O-CB 3.26Å; F189-L193 PolarHBondContact O-N 2.9Å
190F77Confident74Confident125 Ų125101 Ų10155%0.54856%0.56SS.*Hα-helixtrans-65.5-38.1176.5-74.9-65.1000112.7Q186 I187 L193 T194Q186-F190 HydrophobicContact CB-CD2 4.39Å; Q186-F190 HydrophobicContact CB-CE2 4.19Å; Q186-F190 WeakPolarHBondContact O-CD2 3.46Å; Q186-F190 PolarHBondContact O-N 2.97Å; I187-F190 PolarHBondContact O-N 3.3Å; F190-L193 PolarHBondContact O-N 3.42Å; F190-T194 WeakPolarHBondContact O-CB 3.38Å; F190-T194 VanDerWaalsContact O-CG2 3.29Å; F190-T194 WeakPolarHBondContact O-CG2 3.25Å; F190-T194 PolarHBondContact O-N 2.84Å; F190-T194 PolarHBondContact O-OG1 3.3Å
191L77.9Confident76.6Confident112 Ų11297.5 Ų97.559%0.58655%0.546SS*.Hα-helixtrans-67.6-38.8175.4-71.6172.3000112.4I187 I188 T194 S195I187-L191 HydrophobicContact CG2-CD1 4Å; I187-L191 HydrophobicContact CG2-CG 4.47Å; I187-L191 WeakPolarHBondContact O-CB 3.27Å; I187-L191 WeakPolarHBondContact O-CG 3.38Å; I187-L191 PolarHBondContact O-N 3Å; I188-L191 PolarHBondContact O-N 3.39Å; L191-T194 WeakPolarHBondContact CA-OG1 3.32Å; L191-T194 PolarHBondContact O-OG1 3.35Å; L191-S195 WeakPolarHBondContact O-CB 3.27Å; L191-S195 PolarHBondContact O-N 3.34Å; L191-S195 VanDerWaalsContact O-N 3.09Å
192A83.4Confident78.6Confident54 Ų5496.3 Ų96.345%0.44653%0.533SS..Hα-helixtrans-67.7-41.1174.900000112.1I188 F189 S195 T196I188-A192 WeakPolarHBondContact O-CB 3.17Å; I188-A192 PolarHBondContact O-N 2.93Å; F189-A192 PolarHBondContact O-N 3.43Å; A192-S195 PolarHBondContact O-N 2.9Å; A192-T196 WeakPolarHBondContact O-CG2 3.48Å; A192-T196 PolarHBondContact O-N 2.83Å; A192-T196 PolarHBondContact O-OG1 3.35Å
193L87.6Confident80.8Confident84 Ų8498.7 Ų98.744%0.4452%0.524SS..Hα-helixtrans-66.6-42.8178.8-171.369.2000111.8F189 F190 T196 V197F189-L193 WeakPolarHBondContact O-CB 3.26Å; F189-L193 PolarHBondContact O-N 2.9Å; F190-L193 PolarHBondContact O-N 3.42Å; L193-T196 PolarHBondContact O-N 2.98Å; L193-T196 PolarHBondContact O-OG1 2.77Å; L193-V197 VanDerWaalsContact O-CG2 3.29Å; L193-V197 WeakPolarHBondContact O-CG2 3.34Å; L193-V197 PolarHBondContact O-N 3.46Å; L193-V197 VanDerWaalsContact O-N 3.07Å
194T86.1Confident82.4Confident80 Ų8097 Ų9749%0.49152%0.515SS..Hα-helixtrans-65.8-40.1177490000111.8F190 L191 V197 V198F190-T194 WeakPolarHBondContact O-CB 3.38Å; F190-T194 VanDerWaalsContact O-CG2 3.29Å; F190-T194 WeakPolarHBondContact O-CG2 3.25Å; F190-T194 PolarHBondContact O-N 2.84Å; F190-T194 PolarHBondContact O-OG1 3.3Å; L191-T194 WeakPolarHBondContact CA-OG1 3.32Å; L191-T194 PolarHBondContact O-OG1 3.35Å; T194-V197 PolarHBondContact O-N 2.82Å; T194-V198 VanDerWaalsContact O-CG2 3.26Å; T194-V198 WeakPolarHBondContact O-CG2 3.32Å; T194-V198 PolarHBondContact O-N 3.46Å
195S88.6Confident83.8Confident64 Ų64100 Ų10045%0.44853%0.525SS..Hα-helixtrans-61-46.2174.9-178.20000112.4L191 A192 V197 V198 L199L191-S195 WeakPolarHBondContact O-CB 3.27Å; L191-S195 PolarHBondContact O-N 3.34Å; L191-S195 VanDerWaalsContact O-N 3.09Å; A192-S195 PolarHBondContact O-N 2.9Å; S195-V197 PolarHBondContact O-N 3.26Å; S195-V198 PolarHBondContact O-N 2.8Å; S195-L199 VanDerWaalsContact O-CG 3.31Å; S195-L199 WeakPolarHBondContact O-CG 3.44Å; S195-L199 PolarHBondContact O-N 3.46Å
196T91.8Very high85.3Confident65 Ų6599 Ų9940%0.39952%0.518SS..Hα-helixtrans-63.8-44.5178.952.70000111.8A192 L193 V198 L199 F200A192-T196 WeakPolarHBondContact O-CG2 3.48Å; A192-T196 PolarHBondContact O-N 2.83Å; A192-T196 PolarHBondContact O-OG1 3.35Å; L193-T196 PolarHBondContact O-N 2.98Å; L193-T196 PolarHBondContact O-OG1 2.77Å; T196-V198 PolarHBondContact O-N 2.88Å; T196-L199 PolarHBondContact O-N 2.87Å; T196-F200 WeakPolarHBondContact O-CD2 3.45Å; T196-F200 PolarHBondContact O-N 3.35Å
197V92.8Very high86.5Confident76 Ų7696.2 Ų96.246%0.46151%0.506SS..Hα-helixtrans-60.4-44.1177173.20000111.5L193 T194 S195 L199 F200 L201L193-V197 VanDerWaalsContact O-CG2 3.29Å; L193-V197 WeakPolarHBondContact O-CG2 3.34Å; L193-V197 PolarHBondContact O-N 3.46Å; L193-V197 VanDerWaalsContact O-N 3.07Å; T194-V197 PolarHBondContact O-N 2.82Å; S195-V197 PolarHBondContact O-N 3.26Å; V197-L199 PolarHBondContact O-N 3.26Å; V197-F200 PolarHBondContact O-N 3.27Å; V197-L201 HydrophobicContact CG1-CD1 4.11Å; V197-L201 HydrophobicContact CG1-CG 4.45Å; V197-L201 VanDerWaalsContact O-CG 3.31Å; V197-L201 WeakPolarHBondContact O-CG 3.39Å; V197-L201 PolarHBondContact O-N 3.47Å
198V93.8Very high87.7Confident80 Ų80101.3 Ų101.349%0.48552%0.52SS..Hα-helixtrans-62.7-43.5177.4171.80000111.2T194 S195 T196 F200 L201 L202T194-V198 VanDerWaalsContact O-CG2 3.26Å; T194-V198 WeakPolarHBondContact O-CG2 3.32Å; T194-V198 PolarHBondContact O-N 3.46Å; S195-V198 PolarHBondContact O-N 2.8Å; T196-V198 PolarHBondContact O-N 2.88Å; V198-F200 PolarHBondContact O-N 2.94Å; V198-L201 PolarHBondContact O-N 3.44Å; V198-L202 HydrophobicContact CG1-CD1 4.09Å; V198-L202 HydrophobicContact CG1-CG 4.41Å; V198-L202 WeakPolarHBondContact O-CG 3.28Å; V198-L202 PolarHBondContact O-N 2.9Å
199L93.5Very high88.4Confident108 Ų108103.1 Ų103.157%0.56552%0.524SS*.Hα-helixtrans-62.4-41.8177-71172.1000112.3S195 T196 V197 L202 F203S195-L199 VanDerWaalsContact O-CG 3.31Å; S195-L199 WeakPolarHBondContact O-CG 3.44Å; S195-L199 PolarHBondContact O-N 3.46Å; T196-L199 PolarHBondContact O-N 2.87Å; V197-L199 PolarHBondContact O-N 3.26Å; L199-L202 PolarHBondContact O-N 2.95Å; L199-F203 WeakPolarHBondContact O-CB 3.48Å; L199-F203 PolarHBondContact O-N 2.95Å
200F93.8Very high88.8Confident126 Ų12699.6 Ų99.655%0.55352%0.516SS*.Hα-helixtrans-62.6-44.7174.7-86-70.4000111.8T196 V197 V198 L202 F203 F204T196-F200 WeakPolarHBondContact O-CD2 3.45Å; T196-F200 PolarHBondContact O-N 3.35Å; V197-F200 PolarHBondContact O-N 3.27Å; V198-F200 PolarHBondContact O-N 2.94Å; F200-L202 PolarHBondContact O-N 3.29Å; F200-F203 WeakPolarHBondContact O-CB 3.33Å; F200-F203 PolarHBondContact O-N 2.82Å; F200-F204 HydrophobicContact CD1-CE2 4.46Å; F200-F204 WeakPolarHBondContact O-CD2 3.23Å; F200-F204 PolarHBondContact O-N 3.46Å
201L93.1Very high89.2Confident104 Ų10497.7 Ų97.755%0.54552%0.515SS..Hα-helixtrans-61.8-43.7177.6-70.3174.8000112V197 V198 F203 F204 L205V197-L201 HydrophobicContact CG1-CD1 4.11Å; V197-L201 HydrophobicContact CG1-CG 4.45Å; V197-L201 VanDerWaalsContact O-CG 3.31Å; V197-L201 WeakPolarHBondContact O-CG 3.39Å; V197-L201 PolarHBondContact O-N 3.47Å; V198-L201 PolarHBondContact O-N 3.44Å; L201-F203 VanDerWaalsContact C-N 3.35Å; L201-F203 PolarHBondContact O-N 3.46Å; L201-F204 PolarHBondContact O-N 2.87Å; L201-L205 WeakPolarHBondContact O-CG 3.26Å; L201-L205 PolarHBondContact O-N 3.16Å
202L93.6Very high89.4Confident96 Ų9695.9 Ų95.950%0.50351%0.508SS..Hα-helixtrans-62.2-42.1175.6-69175.5000111.6V198 L199 F200 L205 V206V198-L202 HydrophobicContact CG1-CD1 4.09Å; V198-L202 HydrophobicContact CG1-CG 4.41Å; V198-L202 WeakPolarHBondContact O-CG 3.28Å; V198-L202 PolarHBondContact O-N 2.9Å; L199-L202 PolarHBondContact O-N 2.95Å; F200-L202 PolarHBondContact O-N 3.29Å; L202-L205 PolarHBondContact O-N 2.96Å; L202-V206 WeakPolarHBondContact O-CG2 3.28Å; L202-V206 PolarHBondContact O-N 3.5Å
203F93.5Very high89.1Confident119 Ų11998.9 Ų98.952%0.52251%0.511SS..Hα-helixtrans-61.2-45.2175.5-179.3-106.5000112L199 F200 L201 L205 V206 L207L199-F203 WeakPolarHBondContact O-CB 3.48Å; L199-F203 PolarHBondContact O-N 2.95Å; F200-F203 WeakPolarHBondContact O-CB 3.33Å; F200-F203 PolarHBondContact O-N 2.82Å; L201-F203 VanDerWaalsContact C-N 3.35Å; L201-F203 PolarHBondContact O-N 3.46Å; F203-L205 VanDerWaalsContact C-N 3.35Å; F203-L205 PolarHBondContact O-N 2.95Å; F203-V206 PolarHBondContact O-N 3.34Å; F203-L207 HydrophobicContact CD1-CD1 3.84Å; F203-L207 HydrophobicContact CD1-CG 4.35Å; F203-L207 HydrophobicContact CE1-CD1 3.36Å; F203-L207 HydrophobicContact CE1-CG 4.03Å; F203-L207 HydrophobicContact CE2-CG 4.44Å; F203-L207 HydrophobicContact CZ-CD1 3.79Å; F203-L207 HydrophobicContact CZ-CD2 4.19Å; F203-L207 HydrophobicContact CZ-CG 4.08Å; F203-L207 WeakPolarHBondContact O-CG 3.47Å; F203-L207 PolarHBondContact O-N 3.05Å
204F91Very high88.6Confident120 Ų120104.3 Ų104.353%0.52653%0.526SS..Hα-helixtrans-62.1-39.8175.4-79.9-65.7000112.6F200 L201 L207 R208F200-F204 HydrophobicContact CD1-CE2 4.46Å; F200-F204 WeakPolarHBondContact O-CD2 3.23Å; F200-F204 PolarHBondContact O-N 3.46Å; L201-F204 PolarHBondContact O-N 2.87Å; F204-L207 PolarHBondContact O-N 2.8Å; F204-R208 WeakPolarHBondContact O-CB 3.26Å; F204-R208 VanDerWaalsContact O-CG 3.28Å; F204-R208 WeakPolarHBondContact O-CG 3.37Å; F204-R208 PolarHBondContact O-N 3.17Å
205L91Very high87.9Confident114 Ų114103.8 Ų103.860%0.59753%0.525SS*.Hα-helixtrans-63.5-42.9175.3-70.9174.4000111.6L201 L202 F203 R208 F209L201-L205 WeakPolarHBondContact O-CG 3.26Å; L201-L205 PolarHBondContact O-N 3.16Å; L202-L205 PolarHBondContact O-N 2.96Å; F203-L205 VanDerWaalsContact C-N 3.35Å; F203-L205 PolarHBondContact O-N 2.95Å; L205-R208 PolarHBondContact O-N 2.97Å; L205-F209 WeakPolarHBondContact O-CB 3.05Å; L205-F209 PolarHBondContact O-N 3.23Å
206V91.5Very high87.2Confident89 Ų89109.1 Ų109.154%0.53954%0.536SS..Hα-helixtrans-63.2-41.8175.6172.60000111.2L202 F203 F209 S210L202-V206 WeakPolarHBondContact O-CG2 3.28Å; L202-V206 PolarHBondContact O-N 3.5Å; F203-V206 PolarHBondContact O-N 3.34Å; V206-F209 PolarHBondContact O-N 3.37Å; V206-S210 VanDerWaalsContact O-CB 3.24Å; V206-S210 WeakPolarHBondContact O-CB 3.39Å; V206-S210 PolarHBondContact O-N 3.05Å; V206-S210 PolarHBondContact O-OG 3.42Å
207L89.5Confident86.2Confident74 Ų74112.5 Ų112.539%0.38755%0.545SS..Hα-helixtrans-62.8-46.6175.2-73.6-179.8000111.7F203 F204 F209 S210 V211F203-L207 HydrophobicContact CD1-CD1 3.84Å; F203-L207 HydrophobicContact CD1-CG 4.35Å; F203-L207 HydrophobicContact CE1-CD1 3.36Å; F203-L207 HydrophobicContact CE1-CG 4.03Å; F203-L207 HydrophobicContact CE2-CG 4.44Å; F203-L207 HydrophobicContact CZ-CD1 3.79Å; F203-L207 HydrophobicContact CZ-CD2 4.19Å; F203-L207 HydrophobicContact CZ-CG 4.08Å; F203-L207 WeakPolarHBondContact O-CG 3.47Å; F203-L207 PolarHBondContact O-N 3.05Å; F204-L207 PolarHBondContact O-N 2.8Å; L207-F209 VanDerWaalsContact C-N 3.34Å; L207-F209 PolarHBondContact O-N 3.06Å; L207-S210 PolarHBondContact O-N 3.31Å; L207-V211 VanDerWaalsContact O-CG2 3.3Å; L207-V211 WeakPolarHBondContact O-CG2 3.26Å; L207-V211 PolarHBondContact O-N 2.85Å
208R87.6Confident85.4Confident190 Ų190115.9 Ų115.972%0.71755%0.553SS**Hα-helixtrans-59.8-45176.2-71.9-67.7-167179.33.5111.1F204 L205 S210 V211 V212F204-R208 WeakPolarHBondContact O-CB 3.26Å; F204-R208 VanDerWaalsContact O-CG 3.28Å; F204-R208 WeakPolarHBondContact O-CG 3.37Å; F204-R208 PolarHBondContact O-N 3.17Å; L205-R208 PolarHBondContact O-N 2.97Å; R208-S210 VanDerWaalsContact C-N 3.33Å; R208-S210 PolarHBondContact O-N 3.29Å; R208-V211 PolarHBondContact O-N 3.3Å; R208-V212 WeakPolarHBondContact O-CB 3.49Å; R208-V212 VanDerWaalsContact O-CG2 3.27Å; R208-V212 WeakPolarHBondContact O-CG2 3.41Å; R208-V212 PolarHBondContact O-N 3.43Å
209F85.8Confident84Confident150 Ų150117.7 Ų117.766%0.65856%0.56SS**Hα-helixtrans-65-38.2177.3-153.6-90.9000111.9L205 V206 L207 V212 K213L205-F209 WeakPolarHBondContact O-CB 3.05Å; L205-F209 PolarHBondContact O-N 3.23Å; V206-F209 PolarHBondContact O-N 3.37Å; L207-F209 VanDerWaalsContact C-N 3.34Å; L207-F209 PolarHBondContact O-N 3.06Å; F209-V212 PolarHBondContact O-N 3.29Å; F209-K213 WeakPolarHBondContact O-CB 3.04Å; F209-K213 PolarHBondContact O-N 2.94Å
210S81.1Confident82.4Confident61 Ų61117.9 Ų117.943%0.42756%0.561SS.*Hα-helixtrans-66.5-41.6176.2-61.60000111.9V206 L207 R208 K213 R214V206-S210 VanDerWaalsContact O-CB 3.24Å; V206-S210 WeakPolarHBondContact O-CB 3.39Å; V206-S210 PolarHBondContact O-N 3.05Å; V206-S210 PolarHBondContact O-OG 3.42Å; L207-S210 PolarHBondContact O-N 3.31Å; R208-S210 VanDerWaalsContact C-N 3.33Å; R208-S210 PolarHBondContact O-N 3.29Å; S210-K213 PolarHBondContact O-N 3.23Å; S210-R214 WeakPolarHBondContact O-CB 3.27Å; S210-R214 PolarHBondContact O-N 3.37Å
211V85.8Confident81Confident85 Ų85119.4 Ų119.452%0.51556%0.564SS.*Hα-helixtrans-65.4-46.2174.4171.80000110.4L207 R208 K213 R214 S215L207-V211 VanDerWaalsContact O-CG2 3.3Å; L207-V211 WeakPolarHBondContact O-CG2 3.26Å; L207-V211 PolarHBondContact O-N 2.85Å; R208-V211 PolarHBondContact O-N 3.3Å; V211-K213 PolarHBondContact O-N 2.9Å; V211-R214 PolarHBondContact O-N 2.91Å; V211-S215 WeakPolarHBondContact O-CB 3.49Å; V211-S215 PolarHBondContact O-N 2.04Å; V211-S215 PolarHBondContact O-OG 3.4Å
212V82.8Confident79.5Confident75 Ų75119.4 Ų119.446%0.45556%0.563SS.*Hα-helixtrans-62.7-43176.91720000111.2R208 F209 S215 R216R208-V212 WeakPolarHBondContact O-CB 3.49Å; R208-V212 VanDerWaalsContact O-CG2 3.27Å; R208-V212 WeakPolarHBondContact O-CG2 3.41Å; R208-V212 PolarHBondContact O-N 3.43Å; F209-V212 PolarHBondContact O-N 3.29Å; V212-S215 PolarHBondContact O-N 3.28Å; V212-R216 WeakPolarHBondContact O-CB 3.36Å; V212-R216 WeakPolarHBondContact O-CG 3.43Å; V212-R216 PolarHBondContact O-N 2.75Å
213K78.1Confident77.8Confident116 Ų116123.8 Ų123.850%0.50458%0.579SS.*Hα-helixtrans-65.7-39.1176.4-167.5174.8-173.8176.40111.3F209 S210 V211 K217F209-K213 WeakPolarHBondContact O-CB 3.04Å; F209-K213 PolarHBondContact O-N 2.94Å; S210-K213 PolarHBondContact O-N 3.23Å; V211-K213 PolarHBondContact O-N 2.9Å; K213-K217 WeakPolarHBondContact O-CB 3.22Å; K213-K217 VanDerWaalsContact O-CG 3.27Å; K213-K217 WeakPolarHBondContact O-CG 3.41Å; K213-K217 PolarHBondContact O-N 3.47Å
214R75.4Confident75.9Confident199 Ų199126.2 Ų126.275%0.75159%0.589SS**Hα-helixtrans-66.3-42174.3-172.1176.3-174.9179.21.3111.3S210 V211 K217 K218S210-R214 WeakPolarHBondContact O-CB 3.27Å; S210-R214 PolarHBondContact O-N 3.37Å; V211-R214 PolarHBondContact O-N 2.91Å; R214-K217 PolarHBondContact O-N 3.47Å; R214-K218 VanDerWaalsContact O-CB 3.31Å; R214-K218 WeakPolarHBondContact O-CB 3.08Å; R214-K218 PolarHBondContact O-N 3.41Å
215S72.2Confident73.9Confident68 Ų68127 Ų12748%0.47659%0.594SS.*Hα-helixtrans-65.2-42.3175.5-64.50000111.8V211 V212 K218 L219V211-S215 WeakPolarHBondContact O-CB 3.49Å; V211-S215 PolarHBondContact O-N 2.04Å; V211-S215 PolarHBondContact O-OG 3.4Å; V212-S215 PolarHBondContact O-N 3.28Å; S215-K218 PolarHBondContact O-N 3.3Å; S215-L219 WeakPolarHBondContact O-CB 3.49Å; S215-L219 PolarHBondContact O-N 2.84Å
216R74.3Confident71.8Confident176 Ų176126.7 Ų126.766%0.66460%0.599SS**Hα-helixtrans-64.2-41.6173.3-74.8-176.1179.7-167.91112.2V212 L219 L220V212-R216 WeakPolarHBondContact O-CB 3.36Å; V212-R216 WeakPolarHBondContact O-CG 3.43Å; V212-R216 PolarHBondContact O-N 2.75Å; R216-L219 PolarHBondContact O-N 3.45Å; R216-L220 WeakPolarHBondContact O-CB 3.24Å; R216-L220 PolarHBondContact O-N 3.4Å
217K70.9Confident69.7Low136 Ų136131.4 Ų131.459%0.59161%0.613SS**Hα-helixtrans-63.4-42.4173.5-76.7179.2177.1-169.40111.8K213 R214 L220 Y221K213-K217 WeakPolarHBondContact O-CB 3.22Å; K213-K217 VanDerWaalsContact O-CG 3.27Å; K213-K217 WeakPolarHBondContact O-CG 3.41Å; K213-K217 PolarHBondContact O-N 3.47Å; R214-K217 PolarHBondContact O-N 3.47Å; K217-L220 PolarHBondContact O-N 2.9Å; K217-Y221 WeakPolarHBondContact O-CB 3.29Å; K217-Y221 PolarHBondContact O-N 3.37Å
218K74.8Confident67.5Low147 Ų147134.3 Ų134.364%0.63963%0.633SS**Hα-helixtrans-64.8-40.8176.5-167.7177.7-178.4-176.60111.3R214 S215 Y221 I222R214-K218 VanDerWaalsContact O-CB 3.31Å; R214-K218 WeakPolarHBondContact O-CB 3.08Å; R214-K218 PolarHBondContact O-N 3.41Å; S215-K218 PolarHBondContact O-N 3.3Å; K218-Y221 PolarHBondContact O-N 2.59Å; K218-I222 HydrophobicContact CG-CD1 4.19Å; K218-I222 WeakPolarHBondContact O-CD1 3.4Å; K218-I222 VanDerWaalsContact O-CG1 3.25Å; K218-I222 WeakPolarHBondContact O-CG1 3.18Å; K218-I222 PolarHBondContact O-N 2.92Å
219L64.1Low65.1Low118 Ų118134.4 Ų134.462%0.61863%0.634SS**Hα-helixtrans-64.8-45.5175.1-166.881.2000111.8S215 R216 Y221 I222 F223S215-L219 WeakPolarHBondContact O-CB 3.49Å; S215-L219 PolarHBondContact O-N 2.84Å; R216-L219 PolarHBondContact O-N 3.45Å; L219-Y221 VanDerWaalsContact C-N 3.27Å; L219-Y221 PolarHBondContact O-N 2.91Å; L219-I222 PolarHBondContact O-N 2.9Å; L219-F223 PolarHBondContact O-N 3.35Å
220L61.9Low62.8Low112 Ų112133.3 Ų133.359%0.58664%0.641SS**Hα-helixtrans-63.6-31.8175.2-89.4158.2000112.8R216 K217 K224R216-L220 WeakPolarHBondContact O-CB 3.24Å; R216-L220 PolarHBondContact O-N 3.4Å; K217-L220 PolarHBondContact O-N 2.9Å; L220-K224 WeakPolarHBondContact O-CB 3.33Å; L220-K224 WeakPolarHBondContact O-CG 3.48Å; L220-K224 PolarHBondContact O-N 3.4Å
221Y63.4Low60.5Low159 Ų159136.1 Ų136.162%0.62466%0.656SS**Hα-helixtrans-70.6-44.8174.5-172.6-94.9000111.7K217 K218 L219 F223 K224K217-Y221 WeakPolarHBondContact O-CB 3.29Å; K217-Y221 PolarHBondContact O-N 3.37Å; K218-Y221 PolarHBondContact O-N 2.59Å; L219-Y221 VanDerWaalsContact C-N 3.27Å; L219-Y221 PolarHBondContact O-N 2.91Å; Y221-F223 VanDerWaalsContact C-N 3.32Å; Y221-F223 PolarHBondContact O-N 3.28Å; Y221-K224 PolarHBondContact O-N 2.91Å
222I61.7Low58.4Low104 Ų104141.3 Ų141.353%0.53367%0.674SS.*Hα-helixtrans-63.2-38.5177.1-67163.2000111.1K218 L219 K224K218-I222 HydrophobicContact CG-CD1 4.19Å; K218-I222 WeakPolarHBondContact O-CD1 3.4Å; K218-I222 VanDerWaalsContact O-CG1 3.25Å; K218-I222 WeakPolarHBondContact O-CG1 3.18Å; K218-I222 PolarHBondContact O-N 2.92Å; L219-I222 PolarHBondContact O-N 2.9Å; I222-K224 VanDerWaalsContact C-N 3.28Å; I222-K224 PolarHBondContact O-N 2.87Å
223F58.6Low56Low187 Ų187144 Ų14482%0.8269%0.692SS**Hα-helixtrans-74.8-15.9179.1-138.7-89.9000113.8L219 Y221L219-F223 PolarHBondContact O-N 3.35Å; Y221-F223 VanDerWaalsContact C-N 3.32Å; Y221-F223 PolarHBondContact O-N 3.28Å
224K53.4Low53.8Low171 Ų171144.6 Ų144.674%0.74371%0.705SS**THydrogen-bonded Turntrans-95.9-4-179.8-88.3-167.8175.8-170.40114.8L220 Y221 I222 P226L220-K224 WeakPolarHBondContact O-CB 3.33Å; L220-K224 WeakPolarHBondContact O-CG 3.48Å; L220-K224 PolarHBondContact O-N 3.4Å; Y221-K224 PolarHBondContact O-N 2.91Å; I222-K224 VanDerWaalsContact C-N 3.28Å; I222-K224 PolarHBondContact O-N 2.87Å; K224-P226 WeakPolarHBondContact O-CD 3.33Å
225Q48.8Very low51.9Low135 Ų135144 Ų14463%0.63171%0.71SS**  trans-79.3110.4171.2-86.9-174.4-47.300109.8
226P46.2Very low49.8Very low109 Ų109149.4 Ų149.471%0.70873%0.728SS**  trans-73144.9169.3-2.923.2000108.8K224 V228K224-P226 WeakPolarHBondContact O-CD 3.33Å; P226-V228 PolarHBondContact O-N 3.35Å
227F48.4Very low48.3Very low187 Ų187149.7 Ų149.782%0.8274%0.737SS**  trans-58.690.2178.1-158.2-92.9000111.4R229F227-R229 HydrophobicContact CD1-CG 3.99Å; F227-R229 HydrophobicContact CE1-CG 3.81Å; F227-R229 PolarHBondContact O-N 2.87Å
228V42Very low46.5Very low135 Ų135151.4 Ų151.482%0.81875%0.753SS**  trans-84.1106.9167.7-177.60000107.5P226P226-V228 PolarHBondContact O-N 3.35Å
229R38.4Very low44.7Very low193 Ų193147.6 Ų147.673%0.72876%0.756SS**PPolyproline II helixtrans-66132.8170.1-77.5-178.5-179.1176.7-0.3109.3F227 V231F227-R229 HydrophobicContact CD1-CG 3.99Å; F227-R229 HydrophobicContact CE1-CG 3.81Å; F227-R229 PolarHBondContact O-N 2.87Å; R229-V231 PolarHBondContact O-N 3.24Å
230P37.4Very low43.5Very low126 Ų126148.4 Ų148.482%0.81877%0.77SS**PPolyproline II helixtrans-74.5119.3167.129.3-28.2000108.7
231V32.1Very low42.5Very low121 Ų121148.4 Ų148.473%0.73378%0.779SS**PPolyproline II helixtrans-79.5117.3164.3171.70000106.6R229 T233R229-V231 PolarHBondContact O-N 3.24Å; V231-T233 PolarHBondContact O-N 3.07Å
232Q40.9Very low41.2Very low193 Ų193147 Ų14790%0.90279%0.791SS**PPolyproline II helixtrans-66.3123.3164.4-92.7173-28.300108.5
233T33.1Very low40Very low133 Ų133153.5 Ų153.582%0.81681%0.809SS**  trans-119.8120.3161.515.60000107.8V231V231-T233 PolarHBondContact O-N 3.07Å
234T32.8Very low39.2Very low127 Ų127153.7 Ų153.778%0.77981%0.809SS**  trans-79.2151.6170.833.40000111.1
235Q33.8Very low38.7Very low186 Ų186151.4 Ų151.487%0.86981%0.812SS**  trans70.5134.2172.5-95.8167.2-5000115.1
236E29.2Very low38.3Very low183 Ų183154 Ų15486%0.85582%0.824SS**  -164.3154.653.9-161.9161.6-170.900111.1
237E41.6Very low38Very low182 Ų182158 Ų15885%0.8583%0.834SS**  trans-66.6144.3178.4-63.6179.4135.900112.4
238D34.6Very low37.7Very low171 Ų171158.6 Ų158.691%0.91484%0.839SS**  174.4147.8121-113.6-25.6000112.9
239G36.8Very low37.6Very low68 Ų68161.7 Ų161.770%0.70185%0.845SS**  trans102.582.9143.100000119.8
240C39Very low37.4Very low135 Ų135156.4 Ų156.491%0.91285%0.85SS**  trans38.5131.4133.5-88.40000123
241S40.1Very low37.3Very low111 Ų111154.4 Ų154.478%0.77685%0.852SS**  120.890.3126.8-169.40000115.9
242C37.3Very low37.5Very low130 Ų130154.7 Ų154.788%0.87886%0.858SS**  trans-128.4111.5151-71.40000109.2
243R36.8Very low37.4Very low240 Ų240154.3 Ų154.391%0.90686%0.856SS**PPolyproline II helixtrans-76.7133.5173.1-162.3-179.4-176.3152.1-0.1108.4
244F40.7Very low37.8Very low191 Ų191159.4 Ų159.484%0.83888%0.877SS**PPolyproline II helixtrans-72.9143170.2-74.2-93.2000110.1
245P42.9Very low38.1Very low124 Ų124161 Ų16181%0.80588%0.882SS**PPolyproline II helixtrans-81.9132.2160.80.118000110.2
246E40.3Very low38.3Very low188 Ų188159.7 Ų159.788%0.87988%0.883SS**PPolyproline II helixtrans-65146.1172.4-80.1161.1128.600112.2
247E39.8Very low38.8Very low194 Ų194158.4 Ų158.491%0.90788%0.884SS**PPolyproline II helixtrans-70.1129.5164.3-67.2172.5154.500109
248E41.4Very low38.7Very low200 Ų200157 Ų15794%0.93589%0.886SS**PPolyproline II helixtrans-101.4116.3163-74.1-140.6167.500109.9
249E41.3Very low38.9Very low200 Ų200156.1 Ų156.194%0.93589%0.885SS**  trans-104.9133.7169.7-154.7177.2-151.500108.1
250G33.7Very low39.1Very low82 Ų82162 Ų16285%0.84590%0.897SS**  trans120.8129151.400000117.9
251G35.6Very low39.1Very low83 Ų83163.9 Ų163.986%0.85690%0.896SS**  trans150.293.2153.700000115.9
252C35.8Very low39Very low128 Ų128168 Ų16887%0.86591%0.905SS**  trans-78173.3161.6-71.40000111.6
253E39.5Very low39.1Very low184 Ų184171.2 Ų171.286%0.8691%0.907SS**  trans106.5125.8173-63.3-165.4164.700113.3
254L42Very low39.4Very low240 Ų240164.9 Ų164.9100%1.25791%0.907SS**  cis-141.8019.7-95.3145.3000111.1

Retrieved 254 of 254 residues in 328.4 ms (Link to these results)