A0A087Y9V3_POEFO Loading...

Activating signal cointegrator 1

Transcription coactivator which associates with nuclear receptors, transcriptional coactivators including EP300, CREBBP and NCOA1, and basal transcription factors like TBP and TFIIA to facilitate nuclear receptors-mediated transcription. May thereby play an important role in establishing distinct coactivator complexes under different cellular conditions. Plays a role in thyroid hormone receptor and estrogen receptor transactivation. Also involved in androgen receptor transactivation. Plays a pivotal role in the transactivation of NF-kappa-B, SRF and AP1. Acts as a mediator of transrepression between nuclear receptor and either AP1 or NF-kappa-B. May play a role in the development of neuromuscular junction. May play a role in late myogenic differentiation. Also functions as part of the RQC trigger (RQT) complex that activates the ribosome quality control (RQC) pathway, a pathway that degrades nascent peptide chains during problematic translation.

AlphaFold DB , UniProt , Accession A0A087Y9V3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 573 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
1M52.3Low75.3Confident153 Ų15367.6 Ų67.675%0.75437%0.373SS*.  0-19.80-84-164.2-79.400113D3 L5M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.23Å; M1-L5 PolarHBondContact O-N 3.48Å
2S61.3Low75.7Confident69 Ų6965.1 Ų65.148%0.48336%0.357SS..Hα-helixtrans-43.8-52.6162.237.80000113.1A4 L5 L6S2-A4 PolarHBondContact O-N 3.21Å; S2-L5 WeakPolarHBondContact O-CA 3.36Å; S2-L5 WeakPolarHBondContact O-CB 3.36Å; S2-L5 PolarHBondContact O-N 3.11Å; S2-L6 PolarHBondContact O-N 3.44Å
3D69.8Low75.8Confident117 Ų11760.4 Ų60.463%0.62633%0.331SS*.Hα-helixtrans-71.2-34.7-164.9-37-16.3000111.3M1 L5 L6 Q7M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.23Å; D3-L5 VanDerWaalsContact C-N 3.25Å; D3-L5 PolarHBondContact O-N 2.81Å; D3-L6 PolarHBondContact O-N 2.76Å; D3-Q7 VanDerWaalsContact O-CB 3.32Å; D3-Q7 WeakPolarHBondContact O-CB 3.4Å; D3-Q7 PolarHBondContact O-N 3Å
4A76.7Confident75.9Confident69 Ų6964 Ų6457%0.5734%0.344SS*.Hα-helixtrans-68.6-21.7172.500000113.3S2 W8S2-A4 PolarHBondContact O-N 3.21Å; A4-W8 WeakPolarHBondContact O-CB 3.02Å
5L80.4Confident75.8Confident14 Ų1470.7 Ų70.77%0.07337%0.372CS..Hα-helixtrans-82.4-44.3169.9-177.958.1000110.5M1 S2 D3 W8 C9 L30 R63 W64M1-L5 PolarHBondContact O-N 3.48Å; S2-L5 WeakPolarHBondContact O-CA 3.36Å; S2-L5 WeakPolarHBondContact O-CB 3.36Å; S2-L5 PolarHBondContact O-N 3.11Å; D3-L5 VanDerWaalsContact C-N 3.25Å; D3-L5 PolarHBondContact O-N 2.81Å; L5-W8 HydrophobicContact CD1-CE3 4.04Å; L5-W8 PolarHBondContact O-N 3.12Å; L5-C9 WeakPolarHBondContact O-CB 3.32Å; L5-C9 PolarHBondContact O-N 3.37Å; L5-C9 PolarHBondContact O-SG 3.17Å; L5-L30 HydrophobicContact CD2-CD2 3.66Å; L5-L30 HydrophobicContact CG-CD1 4.37Å; L5-L30 HydrophobicContact CG-CD2 3.94Å; L5-R63 HydrophobicContact CD1-CB 3.66Å; L5-R63 HydrophobicContact CD1-CG 4.49Å; L5-W64 HydrophobicContact CD2-CB 4.4Å
6L80.4Confident75.4Confident38 Ų3873.1 Ų73.120%0.19938%0.378CS..Hα-helixtrans-58.9-51.8177.2-175.1150.8000111.4S2 D3 W8 C9 V10 V26 Q27 L30S2-L6 PolarHBondContact O-N 3.44Å; D3-L6 PolarHBondContact O-N 2.76Å; L6-W8 VanDerWaalsContact C-N 3.35Å; L6-W8 PolarHBondContact O-N 3.03Å; L6-C9 WeakPolarHBondContact O-CB 3.41Å; L6-C9 PolarHBondContact O-N 2.95Å; L6-C9 VanDerWaalsContact O-N 3.12Å; L6-V10 HydrophobicContact CD2-CG2 4.25Å; L6-V10 WeakPolarHBondContact O-CG2 3.24Å; L6-V10 PolarHBondContact O-N 3.4Å; L6-V26 HydrophobicContact CB-CG1 4.45Å; L6-V26 HydrophobicContact CG-CG1 3.93Å; L6-Q27 HydrophobicContact CD1-CB 4.1Å; L6-L30 HydrophobicContact CB-CD1 3.87Å; L6-L30 HydrophobicContact CG-CD1 4.43Å
7Q80.9Confident75Confident127 Ų12772 Ų7259%0.59337%0.37SS*.Hα-helixtrans-60.5-43.5178.1-170.6173.71900111.5D3 C9 V10 D11D3-Q7 VanDerWaalsContact O-CB 3.32Å; D3-Q7 WeakPolarHBondContact O-CB 3.4Å; D3-Q7 PolarHBondContact O-N 3Å; Q7-C9 VanDerWaalsContact C-N 3.34Å; Q7-C9 PolarHBondContact O-N 2.77Å; Q7-V10 PolarHBondContact O-N 3.07Å; Q7-D11 WeakPolarHBondContact O-CB 3.48Å; Q7-D11 VanDerWaalsContact O-CG 3.3Å; Q7-D11 PolarHBondContact O-N 3.49Å
8W85.4Confident74.3Confident38 Ų3871.6 Ų71.614%0.14439%0.387CS..Hα-helixtrans-60.6-41.1174.2177.181.3000112.3A4 L5 L6 Q12 F56 E59 L60A4-W8 WeakPolarHBondContact O-CB 3.02Å; L5-W8 HydrophobicContact CD1-CE3 4.04Å; L5-W8 PolarHBondContact O-N 3.12Å; L6-W8 VanDerWaalsContact C-N 3.35Å; L6-W8 PolarHBondContact O-N 3.03Å; W8-Q12 HydrophobicContact CD2-CG 3.97Å; W8-Q12 VanDerWaalsContact CE2-CG 3.5Å; W8-Q12 HydrophobicContact CG-CG 4.37Å; W8-Q12 HydrophobicContact CH2-CG 4.31Å; W8-Q12 HydrophobicContact CZ2-CG 3.71Å; W8-Q12 WeakPolarHBondContact O-CB 3.3Å; W8-Q12 VanDerWaalsContact O-CG 3.23Å; W8-Q12 WeakPolarHBondContact O-CG 3.47Å; W8-Q12 PolarHBondContact O-N 3.49Å; W8-F56 HydrophobicContact CH2-CD2 4.09Å; W8-F56 AromaticContact CH2-CE2 3.95Å; W8-F56 HydrophobicContact CH2-CE2 3.95Å; W8-F56 HydrophobicContact CZ3-CE2 4.02Å; W8-E59 HydrophobicContact CH2-CB 4.18Å; W8-E59 HydrophobicContact CH2-CG 3.91Å; W8-E59 VanDerWaalsContact CZ2-CD 3.46Å; W8-E59 HydrophobicContact CZ2-CG 4.06Å; W8-L60 HydrophobicContact CZ3-CD1 4.47Å
9C80.6Confident74Confident4 Ų471.3 Ų71.33%0.02738%0.384CS..Hα-helixtrans-64.2-45.4176.9-69.70000112.1L5 L6 Q7 Q12 L13 V26 L60L5-C9 WeakPolarHBondContact O-CB 3.32Å; L5-C9 PolarHBondContact O-N 3.37Å; L5-C9 PolarHBondContact O-SG 3.17Å; L6-C9 WeakPolarHBondContact O-CB 3.41Å; L6-C9 PolarHBondContact O-N 2.95Å; L6-C9 VanDerWaalsContact O-N 3.12Å; Q7-C9 VanDerWaalsContact C-N 3.34Å; Q7-C9 PolarHBondContact O-N 2.77Å; C9-Q12 PolarHBondContact O-N 3.09Å; C9-L13 WeakPolarHBondContact O-CB 3.46Å; C9-L13 VanDerWaalsContact O-CG 3.29Å; C9-L13 WeakPolarHBondContact O-CG 3.48Å; C9-L13 PolarHBondContact O-N 3.48Å; C9-V26 HydrophobicContact CB-CG1 3.42Å; C9-V26 VanDerWaalsContact CB-CG1 3.42Å; C9-V26 HydrophobicContact CB-CG2 4.4Å; C9-L60 WeakPolarHBondContact SG-CD1 3.3Å
10V80.9Confident73.3Confident30 Ų3076.6 Ų76.618%0.18241%0.406CS..Hα-helixtrans-59.7-50.9175.1175.20000110.2L6 Q7 Q12 L13 H14 E23 V26L6-V10 HydrophobicContact CD2-CG2 4.25Å; L6-V10 WeakPolarHBondContact O-CG2 3.24Å; L6-V10 PolarHBondContact O-N 3.4Å; Q7-V10 PolarHBondContact O-N 3.07Å; V10-Q12 VanDerWaalsContact C-N 3.31Å; V10-Q12 PolarHBondContact O-N 2.75Å; V10-L13 PolarHBondContact O-N 3.23Å; V10-H14 VanDerWaalsContact O-CB 3.31Å; V10-H14 WeakPolarHBondContact O-CB 3.47Å; V10-H14 PolarHBondContact O-N 2.72Å; V10-E23 HydrophobicContact CG2-CG 4.38Å; V10-V26 HydrophobicContact CG2-CB 4.11Å; V10-V26 HydrophobicContact CG2-CG1 4.32Å; V10-V26 HydrophobicContact CG2-CG2 3.72Å
11D79.8Confident72.7Confident85 Ų8573.6 Ų73.646%0.45539%0.393SS..Hα-helixtrans-57.2-41.5178-75.9-25.1000112.2Q7 H15Q7-D11 WeakPolarHBondContact O-CB 3.48Å; Q7-D11 VanDerWaalsContact O-CG 3.3Å; Q7-D11 PolarHBondContact O-N 3.49Å; D11-H15 WeakPolarHBondContact O-CB 3.5Å; D11-H15 PolarHBondContact O-N 3.08Å
12Q80Confident73.2Confident37 Ų3769.7 Ų69.717%0.17338%0.38CS..Hα-helixtrans-72.4-41.4178.5-68.8-50.9-9100113W8 C9 V10 K16 F56W8-Q12 HydrophobicContact CD2-CG 3.97Å; W8-Q12 VanDerWaalsContact CE2-CG 3.5Å; W8-Q12 HydrophobicContact CG-CG 4.37Å; W8-Q12 HydrophobicContact CH2-CG 4.31Å; W8-Q12 HydrophobicContact CZ2-CG 3.71Å; W8-Q12 WeakPolarHBondContact O-CB 3.3Å; W8-Q12 VanDerWaalsContact O-CG 3.23Å; W8-Q12 WeakPolarHBondContact O-CG 3.47Å; W8-Q12 PolarHBondContact O-N 3.49Å; C9-Q12 PolarHBondContact O-N 3.09Å; V10-Q12 VanDerWaalsContact C-N 3.31Å; V10-Q12 PolarHBondContact O-N 2.75Å; Q12-K16 VanDerWaalsContact O-CB 3.27Å; Q12-K16 WeakPolarHBondContact O-CB 3.45Å; Q12-K16 PolarHBondContact O-N 2.98Å; Q12-F56 HydrophobicContact CB-CD2 4.09Å; Q12-F56 HydrophobicContact CB-CE2 3.58Å; Q12-F56 HydrophobicContact CB-CZ 4.42Å; Q12-F56 HydrophobicContact CG-CE2 4.22Å
13L77.2Confident73.7Confident4 Ų472.6 Ų72.62%0.02139%0.386CS..Hα-helixtrans-63.4-44.7177.4-72.2170.9000111.1C9 V10 F17 G18 L19 A21 V26 L46 F56C9-L13 WeakPolarHBondContact O-CB 3.46Å; C9-L13 VanDerWaalsContact O-CG 3.29Å; C9-L13 WeakPolarHBondContact O-CG 3.48Å; C9-L13 PolarHBondContact O-N 3.48Å; V10-L13 PolarHBondContact O-N 3.23Å; L13-F17 HydrophobicContact CD2-CD2 4.35Å; L13-F17 WeakPolarHBondContact O-CB 3.39Å; L13-F17 PolarHBondContact O-N 3.11Å; L13-G18 PolarHBondContact O-N 3.45Å; L13-L19 PolarHBondContact O-N 3.03Å; L13-A21 HydrophobicContact CB-CB 4.08Å; L13-A21 HydrophobicContact CD1-CB 3.78Å; L13-V26 HydrophobicContact CD1-CG2 3.79Å; L13-L46 HydrophobicContact CD2-CD2 3.91Å; L13-F56 HydrophobicContact CD2-CE1 3.75Å; L13-F56 HydrophobicContact CD2-CZ 3.95Å; L13-F56 HydrophobicContact CG-CE1 4.38Å; L13-F56 HydrophobicContact CG-CZ 4.07Å
14H76.7Confident73.9Confident111 Ų11172.6 Ų72.651%0.51439%0.385SS..Hα-helixtrans-65.9-53.9176.5-174.4-133.6000111.7V10 G18 L19V10-H14 VanDerWaalsContact O-CB 3.31Å; V10-H14 WeakPolarHBondContact O-CB 3.47Å; V10-H14 PolarHBondContact O-N 2.72Å; H14-G18 WeakPolarHBondContact O-CA 3.44Å; H14-G18 PolarHBondContact O-N 3.36Å; H14-L19 WeakPolarHBondContact CA-O 3.47Å
15H74.6Confident73.9Confident165 Ų16571.8 Ų71.876%0.76437%0.371SS*.Hα-helixtrans-77-33.1-172.6-166.9-39.2000114.3D11D11-H15 WeakPolarHBondContact O-CB 3.5Å; D11-H15 PolarHBondContact O-N 3.08Å
16K69.1Low73.9Confident108 Ų10871.2 Ų71.247%0.4737%0.368SS..Hα-helixtrans-91.7-28.7-179.1-72.7175.3166.7162.60113.9Q12Q12-K16 VanDerWaalsContact O-CB 3.27Å; Q12-K16 WeakPolarHBondContact O-CB 3.45Å; Q12-K16 PolarHBondContact O-N 2.98Å
17F69.7Low73.8Confident55 Ų5575.2 Ų75.224%0.24139%0.386CS..Hα-helixtrans-123.1-6.2-171.1-56.1-69.1000114.2L13 L19 L46 K53 F56L13-F17 HydrophobicContact CD2-CD2 4.35Å; L13-F17 WeakPolarHBondContact O-CB 3.39Å; L13-F17 PolarHBondContact O-N 3.11Å; F17-L19 HydrophobicContact CB-CD1 4.36Å; F17-L19 HydrophobicContact CB-CG 4.38Å; F17-L19 PolarHBondContact O-N 2.87Å; F17-L46 HydrophobicContact CB-CD2 4.16Å; F17-L46 HydrophobicContact CD1-CD2 4.32Å; F17-L46 HydrophobicContact CD2-CD2 3.81Å; F17-L46 HydrophobicContact CE2-CD1 4.21Å; F17-L46 HydrophobicContact CE2-CD2 4.28Å; F17-L46 HydrophobicContact CG-CD2 3.82Å; F17-L46 HydrophobicContact CZ-CD1 4.34Å; F17-K53 HydrophobicContact CE1-CG 3.75Å; F17-K53 HydrophobicContact CZ-CG 4.26Å; F17-F56 HydrophobicContact CE2-CB 4.19Å; F17-F56 HydrophobicContact CE2-CD1 4.03Å; F17-F56 HydrophobicContact CE2-CG 4.03Å; F17-F56 HydrophobicContact CZ-CB 4.25Å
18G62.1Low73.8Confident65 Ų6575.1 Ų75.167%0.6738%0.381SS*.  trans69.719.4176.300000113.9L13 H14L13-G18 PolarHBondContact O-N 3.45Å; H14-G18 WeakPolarHBondContact O-CA 3.44Å; H14-G18 PolarHBondContact O-N 3.36Å
19L67.3Low73.6Confident65 Ų6573.7 Ų73.734%0.3438%0.376SS..  trans-93.2121.9178.3-64.8173.3000109.4L13 H14 F17 A21 L46L13-L19 PolarHBondContact O-N 3.03Å; H14-L19 WeakPolarHBondContact CA-O 3.47Å; F17-L19 HydrophobicContact CB-CD1 4.36Å; F17-L19 HydrophobicContact CB-CG 4.38Å; F17-L19 PolarHBondContact O-N 2.87Å; L19-A21 PolarHBondContact O-N 3.18Å; L19-L46 HydrophobicContact CD1-CD2 3.89Å
20E60.3Low73.7Confident177 Ų17775 Ų7583%0.82738%0.383SS*.  trans-71.771163.4-68.8-175.4161.200109.2C22E20-C22 PolarHBondContact O-N 3.46Å
21A62Low73.7Confident15 Ų1577.3 Ų77.312%0.12440%0.4CS..  trans-73106.5175.500000109.3L13 L19 V26L13-A21 HydrophobicContact CB-CB 4.08Å; L13-A21 HydrophobicContact CD1-CB 3.78Å; L19-A21 PolarHBondContact O-N 3.18Å; A21-V26 HydrophobicContact CB-CG2 4.49Å
22C62.9Low73.9Confident71 Ų7174.2 Ų74.248%0.4838%0.383SS..  trans-51.8144.1172.2-58.60000110.8E20 D24 I25 V26E20-C22 PolarHBondContact O-N 3.46Å; C22-D24 PolarHBondContact O-N 2.79Å; C22-D24 VanDerWaalsContact O-N 3.1Å; C22-I25 HydrophobicContact CB-CD1 4.28Å; C22-I25 HydrophobicContact CB-CG1 4.32Å; C22-I25 WeakPolarHBondContact O-CB 3.49Å; C22-I25 PolarHBondContact O-N 3.16Å; C22-V26 PolarHBondContact O-N 2.91Å
23E71.7Confident73.7Confident130 Ų13080.7 Ų80.761%0.60741%0.413SS*.Hα-helixtrans-54.9-33.7-179.9-60.4-172.915400111.6V10 I25 V26 Q27V10-E23 HydrophobicContact CG2-CG 4.38Å; E23-I25 VanDerWaalsContact C-N 3.31Å; E23-I25 PolarHBondContact O-N 2.87Å; E23-V26 PolarHBondContact O-N 3.33Å; E23-Q27 WeakPolarHBondContact O-CB 3.3Å; E23-Q27 PolarHBondContact O-N 3.24Å
24D72.6Confident74.1Confident116 Ų11685.1 Ų85.162%0.6243%0.433SS*.Hα-helixtrans-55.6-39.3174.2-50.2-63.6000113.6C22 Q27 Y28C22-D24 PolarHBondContact O-N 2.79Å; C22-D24 VanDerWaalsContact O-N 3.1Å; D24-Q27 PolarHBondContact O-N 2.85Å; D24-Y28 WeakPolarHBondContact O-CB 2.94Å; D24-Y28 PolarHBondContact O-N 2.63Å
25I77.1Confident74.3Confident52 Ų5281.2 Ų81.227%0.26742%0.417SS..Hα-helixtrans-70.9-41.2-178.8-58.8171.9000109.4C22 E23 Y28 I29 Y41 L45C22-I25 HydrophobicContact CB-CD1 4.28Å; C22-I25 HydrophobicContact CB-CG1 4.32Å; C22-I25 WeakPolarHBondContact O-CB 3.49Å; C22-I25 PolarHBondContact O-N 3.16Å; E23-I25 VanDerWaalsContact C-N 3.31Å; E23-I25 PolarHBondContact O-N 2.87Å; I25-Y28 PolarHBondContact O-N 2.74Å; I25-I29 HydrophobicContact CG2-CD1 4.16Å; I25-I29 WeakPolarHBondContact O-CD1 3.47Å; I25-I29 VanDerWaalsContact O-CG1 3.28Å; I25-I29 WeakPolarHBondContact O-CG1 3.27Å; I25-I29 PolarHBondContact O-N 2.83Å; I25-Y41 HydrophobicContact CG2-CE1 4.46Å; I25-L45 HydrophobicContact CG2-CD2 4.05Å
26V79.8Confident74.7Confident2 Ų279.2 Ų79.21%0.01241%0.408CS..Hα-helixtrans-69.2-38.8175.7177.50000111L6 C9 V10 L13 A21 C22 E23 Y28 I29 L30L6-V26 HydrophobicContact CB-CG1 4.45Å; L6-V26 HydrophobicContact CG-CG1 3.93Å; C9-V26 HydrophobicContact CB-CG1 3.42Å; C9-V26 VanDerWaalsContact CB-CG1 3.42Å; C9-V26 HydrophobicContact CB-CG2 4.4Å; V10-V26 HydrophobicContact CG2-CB 4.11Å; V10-V26 HydrophobicContact CG2-CG1 4.32Å; V10-V26 HydrophobicContact CG2-CG2 3.72Å; L13-V26 HydrophobicContact CD1-CG2 3.79Å; A21-V26 HydrophobicContact CB-CG2 4.49Å; C22-V26 PolarHBondContact O-N 2.91Å; E23-V26 PolarHBondContact O-N 3.33Å; V26-Y28 VanDerWaalsContact C-N 3.33Å; V26-I29 PolarHBondContact O-N 2.86Å; V26-L30 HydrophobicContact CG1-CD1 4.11Å; V26-L30 HydrophobicContact CG1-CG 4.49Å; V26-L30 VanDerWaalsContact O-CG 3.32Å; V26-L30 WeakPolarHBondContact O-CG 3.36Å; V26-L30 PolarHBondContact O-N 3.31Å
27Q79.8Confident75.3Confident122 Ų12277.9 Ų77.957%0.5740%0.404SS*.Hα-helixtrans-63.5-39.3174-169.3173.99.800111.6L6 E23 D24 L30 S31L6-Q27 HydrophobicContact CD1-CB 4.1Å; E23-Q27 WeakPolarHBondContact O-CB 3.3Å; E23-Q27 PolarHBondContact O-N 3.24Å; D24-Q27 PolarHBondContact O-N 2.85Å; Q27-L30 PolarHBondContact O-N 3.29Å; Q27-S31 WeakPolarHBondContact O-CB 3.31Å; Q27-S31 PolarHBondContact O-N 3.26Å; Q27-S31 VanDerWaalsContact O-N 3.13Å
28Y80.4Confident76Confident125 Ų12575.4 Ų75.449%0.4939%0.393SS..Hα-helixtrans-61.3-51.3171.9-179.6-105.4000111.6D24 I25 V26 L30 S31 I32 Y41D24-Y28 WeakPolarHBondContact O-CB 2.94Å; D24-Y28 PolarHBondContact O-N 2.63Å; I25-Y28 PolarHBondContact O-N 2.74Å; V26-Y28 VanDerWaalsContact C-N 3.33Å; Y28-L30 VanDerWaalsContact C-N 3.29Å; Y28-L30 PolarHBondContact O-N 2.89Å; Y28-S31 WeakPolarHBondContact O-CB 3.39Å; Y28-S31 PolarHBondContact O-N 3.24Å; Y28-S31 PolarHBondContact O-OG 3.16Å; Y28-I32 HydrophobicContact CE1-CD1 4.31Å; Y28-I32 PolarHBondContact O-N 2.98Å; Y28-Y41 HydrophobicContact CD1-CE1 4.06Å; Y28-Y41 HydrophobicContact CD1-CE2 4.16Å; Y28-Y41 AromaticContact CD1-CZ 3.75Å; Y28-Y41 HydrophobicContact CE1-CD2 4.15Å; Y28-Y41 HydrophobicContact CE1-CE1 4.32Å; Y28-Y41 AromaticContact CE1-CE2 3.68Å; Y28-Y41 HydrophobicContact CE1-CE2 3.68Å; Y28-Y41 AromaticContact CE1-CZ 3.77Å
29I81.9Confident77Confident8 Ų877 Ų774%0.04138%0.383CS..Hα-helixtrans-53.9-44.2176.8-70.2161000111.8I25 V26 S31 I32 I38 Y41 V42 L45 L60I25-I29 HydrophobicContact CG2-CD1 4.16Å; I25-I29 WeakPolarHBondContact O-CD1 3.47Å; I25-I29 VanDerWaalsContact O-CG1 3.28Å; I25-I29 WeakPolarHBondContact O-CG1 3.27Å; I25-I29 PolarHBondContact O-N 2.83Å; V26-I29 PolarHBondContact O-N 2.86Å; I29-S31 PolarHBondContact O-N 2.98Å; I29-I32 PolarHBondContact O-N 3.32Å; I29-I38 HydrophobicContact CG2-CG2 4.24Å; I29-Y41 HydrophobicContact CD1-CD1 4.21Å; I29-Y41 HydrophobicContact CD1-CE1 4.05Å; I29-Y41 HydrophobicContact CG1-CD1 3.66Å; I29-Y41 HydrophobicContact CG1-CE1 3.64Å; I29-V42 HydrophobicContact CD1-CG2 3.98Å; I29-V42 HydrophobicContact CG1-CG2 4.21Å; I29-V42 HydrophobicContact CG2-CG2 3.94Å; I29-L45 HydrophobicContact CD1-CD2 4.06Å; I29-L60 HydrophobicContact CG2-CD2 4.29Å
30L81.6Confident77.7Confident33 Ų3380.4 Ų80.417%0.17340%0.397CS..Hα-helixtrans-72.5-16.2179.8-67.3175.8000113.6L5 L6 V26 Q27 Y28 L60 W64L5-L30 HydrophobicContact CD2-CD2 3.66Å; L5-L30 HydrophobicContact CG-CD1 4.37Å; L5-L30 HydrophobicContact CG-CD2 3.94Å; L6-L30 HydrophobicContact CB-CD1 3.87Å; L6-L30 HydrophobicContact CG-CD1 4.43Å; V26-L30 HydrophobicContact CG1-CD1 4.11Å; V26-L30 HydrophobicContact CG1-CG 4.49Å; V26-L30 VanDerWaalsContact O-CG 3.32Å; V26-L30 WeakPolarHBondContact O-CG 3.36Å; V26-L30 PolarHBondContact O-N 3.31Å; Q27-L30 PolarHBondContact O-N 3.29Å; Y28-L30 VanDerWaalsContact C-N 3.29Å; Y28-L30 PolarHBondContact O-N 2.89Å; L30-L60 HydrophobicContact CD2-CD1 4.49Å; L30-W64 PolarHBondContact O-NE1 2.83Å
31S80.9Confident78.8Confident78 Ų7876.1 Ų76.155%0.54537%0.374SS..Hα-helixtrans-85-12177.177.90000114.5Q27 Y28 I29Q27-S31 WeakPolarHBondContact O-CB 3.31Å; Q27-S31 PolarHBondContact O-N 3.26Å; Q27-S31 VanDerWaalsContact O-N 3.13Å; Y28-S31 WeakPolarHBondContact O-CB 3.39Å; Y28-S31 PolarHBondContact O-N 3.24Å; Y28-S31 PolarHBondContact O-OG 3.16Å; I29-S31 PolarHBondContact O-N 2.98Å
32I83.2Confident79.7Confident19 Ų1975.5 Ų75.510%0.09737%0.369CS..  trans-69.7131.8179.1-60.8171.4000110Y28 I29 E37 I38 W64Y28-I32 HydrophobicContact CE1-CD1 4.31Å; Y28-I32 PolarHBondContact O-N 2.98Å; I29-I32 PolarHBondContact O-N 3.32Å; I32-E37 HydrophobicContact CG2-CB 3.63Å; I32-I38 HydrophobicContact CB-CD1 4.26Å; I32-I38 HydrophobicContact CB-CG1 3.71Å; I32-I38 HydrophobicContact CD1-CG1 4.19Å; I32-I38 HydrophobicContact CG2-CD1 4.48Å; I32-I38 HydrophobicContact CG2-CG1 3.77Å; I32-W64 WeakPolarHBondContact O-CZ2 3.32Å
33E76.7Confident80.6Confident173 Ų17372.5 Ų72.581%0.80835%0.349SS*.SBendtrans-83.2-19.9-175.8-65.6-173.5159.900114.4W64E33-W64 WeakPolarHBondContact O-CH2 3.5Å
34K84.5Confident81.1Confident97 Ų9772.3 Ų72.342%0.42235%0.352SS..  trans-110134.5-176.5-58-168.7-150.573.60112.2E36 E37 I38K34-E36 VanDerWaalsContact C-N 3.29Å; K34-E36 PolarHBondContact O-N 3.37Å; K34-E37 HydrophobicContact CB-CB 4.23Å; K34-E37 HydrophobicContact CB-CG 4.11Å; K34-E37 WeakPolarHBondContact CB-OE2 3.32Å; K34-E37 HydrophobicContact CD-CG 4.42Å; K34-E37 WeakPolarHBondContact CG-OE2 3.34Å; K34-E37 IonicContact NZ-OE1 3.83Å; K34-E37 PolarHBondContact NZ-OE1 3.41Å; K34-E37 IonicContact NZ-OE2 3.82Å; K34-E37 PolarHBondContact NZ-OE2 3.45Å; K34-E37 PolarHBondContact O-N 2.91Å; K34-I38 PolarHBondContact O-N 2.99Å
35P82.6Confident81.5Confident29 Ų2969.5 Ų69.519%0.18834%0.337CS..Hα-helixtrans-67.1-29177.828.2-34.3000113.1I38 E39 L61 W64P35-I38 PolarHBondContact O-N 3.37Å; P35-E39 PolarHBondContact O-N 2.66Å; P35-E39 VanDerWaalsContact O-N 3.1Å; P35-L61 HydrophobicContact CB-CD2 3.77Å; P35-W64 HydrophobicContact CB-CZ3 4.39Å
36E81.5Confident81.5Confident123 Ų12367.6 Ų67.658%0.57533%0.327SS*.Hα-helixtrans-67.9-40.7178.5-56.277-166.900111.3K34 I38 E39 E40K34-E36 VanDerWaalsContact C-N 3.29Å; K34-E36 PolarHBondContact O-N 3.37Å; E36-I38 VanDerWaalsContact C-N 3.3Å; E36-I38 PolarHBondContact O-N 3.13Å; E36-E39 PolarHBondContact O-N 3.01Å; E36-E40 PolarHBondContact O-N 3.27Å
37E83.4Confident81.4Confident81 Ų8175.5 Ų75.538%0.37936%0.364SS..Hα-helixtrans-70.9-26.7178.5-68171.1164.900111.9I32 K34 Y41I32-E37 HydrophobicContact CG2-CB 3.63Å; K34-E37 HydrophobicContact CB-CB 4.23Å; K34-E37 HydrophobicContact CB-CG 4.11Å; K34-E37 WeakPolarHBondContact CB-OE2 3.32Å; K34-E37 HydrophobicContact CD-CG 4.42Å; K34-E37 WeakPolarHBondContact CG-OE2 3.34Å; K34-E37 IonicContact NZ-OE1 3.83Å; K34-E37 PolarHBondContact NZ-OE1 3.41Å; K34-E37 IonicContact NZ-OE2 3.82Å; K34-E37 PolarHBondContact NZ-OE2 3.45Å; K34-E37 PolarHBondContact O-N 2.91Å; E37-Y41 VanDerWaalsContact O-CB 3.25Å; E37-Y41 WeakPolarHBondContact O-CB 3.24Å; E37-Y41 PolarHBondContact O-N 3.44Å; E37-Y41 VanDerWaalsContact O-N 3.11Å
38I83.4Confident81.1Confident2 Ų271.2 Ų71.21%0.0135%0.353CS..Hα-helixtrans-70.8-42.7170.1-66.9169.5000110.8I29 I32 K34 P35 E36 V42 L60 L61 W64I29-I38 HydrophobicContact CG2-CG2 4.24Å; I32-I38 HydrophobicContact CB-CD1 4.26Å; I32-I38 HydrophobicContact CB-CG1 3.71Å; I32-I38 HydrophobicContact CD1-CG1 4.19Å; I32-I38 HydrophobicContact CG2-CD1 4.48Å; I32-I38 HydrophobicContact CG2-CG1 3.77Å; K34-I38 PolarHBondContact O-N 2.99Å; P35-I38 PolarHBondContact O-N 3.37Å; E36-I38 VanDerWaalsContact C-N 3.3Å; E36-I38 PolarHBondContact O-N 3.13Å; I38-V42 HydrophobicContact CG2-CG2 4.26Å; I38-V42 VanDerWaalsContact O-CB 3.28Å; I38-V42 WeakPolarHBondContact O-CB 3.2Å; I38-V42 VanDerWaalsContact O-CG2 3.26Å; I38-V42 WeakPolarHBondContact O-CG2 3.49Å; I38-V42 PolarHBondContact O-N 2.87Å; I38-L60 HydrophobicContact CG2-CD2 4.06Å; I38-L61 HydrophobicContact CB-CD2 3.99Å; I38-L61 HydrophobicContact CD1-CD2 4.33Å; I38-L61 HydrophobicContact CG2-CD2 3.81Å; I38-W64 HydrophobicContact CD1-CD2 3.95Å; I38-W64 HydrophobicContact CD1-CE3 4.31Å; I38-W64 HydrophobicContact CD1-CG 4.37Å; I38-W64 HydrophobicContact CD1-CZ2 4.13Å
39E82.5Confident80.6Confident99 Ų9968.6 Ų68.646%0.46335%0.35SS..Hα-helixtrans-64.7-43.7178.4178.3168.2-17400111.9P35 E36 G43 I57P35-E39 PolarHBondContact O-N 2.66Å; P35-E39 VanDerWaalsContact O-N 3.1Å; E36-E39 PolarHBondContact O-N 3.01Å; E39-G43 WeakPolarHBondContact O-CA 3.39Å; E39-G43 PolarHBondContact O-N 3.41Å; E39-I57 HydrophobicContact CB-CG2 4.15Å; E39-I57 HydrophobicContact CG-CG2 4.1Å
40E83.1Confident79.9Confident137 Ų13774.7 Ų74.764%0.6438%0.383SS*.Hα-helixtrans-62.3-54.2175.1-172172.5-162.300111.3E36 V42 G43 D44E36-E40 PolarHBondContact O-N 3.27Å; E40-V42 PolarHBondContact O-N 3.38Å; E40-G43 PolarHBondContact O-N 3.08Å; E40-D44 PolarHBondContact O-N 3.27Å
41Y83.5Confident79.7Confident87 Ų8775.7 Ų75.734%0.34140%0.401SS..Hα-helixtrans-64.5-40.2-176.9-173.4-89.2000113.3I25 Y28 I29 E37 L45I25-Y41 HydrophobicContact CG2-CE1 4.46Å; Y28-Y41 HydrophobicContact CD1-CE1 4.06Å; Y28-Y41 HydrophobicContact CD1-CE2 4.16Å; Y28-Y41 AromaticContact CD1-CZ 3.75Å; Y28-Y41 HydrophobicContact CE1-CD2 4.15Å; Y28-Y41 HydrophobicContact CE1-CE1 4.32Å; Y28-Y41 AromaticContact CE1-CE2 3.68Å; Y28-Y41 HydrophobicContact CE1-CE2 3.68Å; Y28-Y41 AromaticContact CE1-CZ 3.77Å; I29-Y41 HydrophobicContact CD1-CD1 4.21Å; I29-Y41 HydrophobicContact CD1-CE1 4.05Å; I29-Y41 HydrophobicContact CG1-CD1 3.66Å; I29-Y41 HydrophobicContact CG1-CE1 3.64Å; E37-Y41 VanDerWaalsContact O-CB 3.25Å; E37-Y41 WeakPolarHBondContact O-CB 3.24Å; E37-Y41 PolarHBondContact O-N 3.44Å; E37-Y41 VanDerWaalsContact O-N 3.11Å; Y41-L45 VanDerWaalsContact O-CB 3.27Å; Y41-L45 WeakPolarHBondContact O-CB 3.42Å; Y41-L45 PolarHBondContact O-N 3.06Å
42V81.3Confident79.3Confident2 Ų280.1 Ų80.11%0.01241%0.41CS..Hα-helixtrans-75.9-30.8176.8179.60000111.3I29 I38 E40 L46 F56 I57 L60I29-V42 HydrophobicContact CD1-CG2 3.98Å; I29-V42 HydrophobicContact CG1-CG2 4.21Å; I29-V42 HydrophobicContact CG2-CG2 3.94Å; I38-V42 HydrophobicContact CG2-CG2 4.26Å; I38-V42 VanDerWaalsContact O-CB 3.28Å; I38-V42 WeakPolarHBondContact O-CB 3.2Å; I38-V42 VanDerWaalsContact O-CG2 3.26Å; I38-V42 WeakPolarHBondContact O-CG2 3.49Å; I38-V42 PolarHBondContact O-N 2.87Å; E40-V42 PolarHBondContact O-N 3.38Å; V42-L46 HydrophobicContact CG1-CD1 3.8Å; V42-L46 HydrophobicContact CG1-CG 4.16Å; V42-L46 VanDerWaalsContact O-CB 3.3Å; V42-L46 WeakPolarHBondContact O-CB 3.32Å; V42-L46 VanDerWaalsContact O-CG 3.32Å; V42-L46 WeakPolarHBondContact O-CG 3.44Å; V42-L46 PolarHBondContact O-N 3.42Å; V42-F56 HydrophobicContact CG1-CD1 4.46Å; V42-F56 HydrophobicContact CG1-CE1 4.12Å; V42-I57 HydrophobicContact CB-CG1 4.24Å; V42-I57 HydrophobicContact CG1-CD1 4.21Å; V42-I57 HydrophobicContact CG1-CG1 3.71Å; V42-L60 HydrophobicContact CG2-CD2 4.08Å
43G81.3Confident79.1Confident7 Ų782 Ų827%0.07242%0.418CS..Hα-helixtrans-62.9-43.1171.500000112.7E39 E40 Q47 G48E39-G43 WeakPolarHBondContact O-CA 3.39Å; E39-G43 PolarHBondContact O-N 3.41Å; E40-G43 PolarHBondContact O-N 3.08Å; G43-Q47 CarbonylContact O-C 3.48Å; G43-Q47 WeakPolarHBondContact O-CA 3.21Å; G43-Q47 PolarHBondContact O-N 2.81Å; G43-G48 PolarHBondContact O-N 3.26Å
44D82.2Confident79.1Confident126 Ų12674.5 Ų74.567%0.67439%0.387SS*.Hα-helixtrans-67.7-47.3173.7-85.9-6.5000111.8E40 L46 Q47E40-D44 PolarHBondContact O-N 3.27Å; D44-L46 VanDerWaalsContact C-N 3.29Å; D44-L46 PolarHBondContact O-N 2.94Å; D44-Q47 PolarHBondContact O-N 2.95Å
45L81.8Confident78.9Confident58 Ų5876.3 Ų76.330%0.30440%0.397SS..Hα-helixtrans-59.9-37.6179.1-178.363.4000112.6I25 I29 Y41I25-L45 HydrophobicContact CG2-CD2 4.05Å; I29-L45 HydrophobicContact CD1-CD2 4.06Å; Y41-L45 VanDerWaalsContact O-CB 3.27Å; Y41-L45 WeakPolarHBondContact O-CB 3.42Å; Y41-L45 PolarHBondContact O-N 3.06Å
46L76.9Confident78.9Confident11 Ų1175.1 Ų75.16%0.05839%0.389CS..THydrogen-bonded Turntrans-86.8-4175.4-65.1179.3000113.5L13 F17 L19 V42 D44 K53 F56L13-L46 HydrophobicContact CD2-CD2 3.91Å; F17-L46 HydrophobicContact CB-CD2 4.16Å; F17-L46 HydrophobicContact CD1-CD2 4.32Å; F17-L46 HydrophobicContact CD2-CD2 3.81Å; F17-L46 HydrophobicContact CE2-CD1 4.21Å; F17-L46 HydrophobicContact CE2-CD2 4.28Å; F17-L46 HydrophobicContact CG-CD2 3.82Å; F17-L46 HydrophobicContact CZ-CD1 4.34Å; L19-L46 HydrophobicContact CD1-CD2 3.89Å; V42-L46 HydrophobicContact CG1-CD1 3.8Å; V42-L46 HydrophobicContact CG1-CG 4.16Å; V42-L46 VanDerWaalsContact O-CB 3.3Å; V42-L46 WeakPolarHBondContact O-CB 3.32Å; V42-L46 VanDerWaalsContact O-CG 3.32Å; V42-L46 WeakPolarHBondContact O-CG 3.44Å; V42-L46 PolarHBondContact O-N 3.42Å; D44-L46 VanDerWaalsContact C-N 3.29Å; D44-L46 PolarHBondContact O-N 2.94Å; L46-K53 HydrophobicContact CB-CD 4.11Å; L46-K53 HydrophobicContact CB-CG 4.46Å; L46-K53 HydrophobicContact CD1-CB 4.25Å; L46-K53 HydrophobicContact CD1-CG 4.49Å; L46-K53 VanDerWaalsContact O-CE 3.32Å; L46-K53 WeakPolarHBondContact O-CE 3.4Å; L46-K53 PolarHBondContact O-NZ 3.03Å; L46-F56 HydrophobicContact CD1-CD1 3.87Å; L46-F56 HydrophobicContact CD1-CE1 4.28Å
47Q76.8Confident78.9Confident168 Ų16869.5 Ų69.579%0.78536%0.363SS*.THydrogen-bonded Turntrans55.772.9-174.9-58.4179.53.600112.8G43 D44 K53G43-Q47 CarbonylContact O-C 3.48Å; G43-Q47 WeakPolarHBondContact O-CA 3.21Å; G43-Q47 PolarHBondContact O-N 2.81Å; D44-Q47 PolarHBondContact O-N 2.95Å; Q47-K53 PolarHBondContact O-NZ 3.32Å
48G72.8Confident78.9Confident33 Ų3371 Ų7134%0.3437%0.373SS..SBendtrans96.8155.3177.100000113.8G43 K53G43-G48 PolarHBondContact O-N 3.26Å; G48-K53 WeakPolarHBondContact O-CD 3.25Å
49T70Confident79Confident70 Ų7074 Ų7443%0.42939%0.387SS..  trans-95.66-171.951.50000114.7G51 G54 I57T49-G51 PolarHBondContact O-N 3.44Å; T49-G54 VanDerWaalsContact O-CA 3.24Å; T49-G54 WeakPolarHBondContact O-CA 3.45Å; T49-G54 PolarHBondContact O-N 3Å; T49-I57 HydrophobicContact CG2-CD1 4.05Å
50D67.9Low79.2Confident136 Ų13669.4 Ų69.473%0.72737%0.366SS*.THydrogen-bonded Turntrans-61130.6-169.1-73.4-54.4000115.8K52 K53D50-K52 PolarHBondContact O-N 3.02Å; D50-K53 PolarHBondContact O-N 2.92Å
51G77.3Confident79.2Confident53 Ų5363.4 Ų63.455%0.54634%0.339SS..THydrogen-bonded Turntrans56.3-104.5165.200000114.4T49 K53 G54 Q55T49-G51 PolarHBondContact O-N 3.44Å; G51-K53 PolarHBondContact O-N 3.46Å; G51-G54 PolarHBondContact O-N 3.08Å; G51-Q55 WeakPolarHBondContact O-CG 3.39Å; G51-Q55 PolarHBondContact O-N 3.5Å; G51-Q55 VanDerWaalsContact O-N 3.11Å
52K73.8Confident79.3Confident171 Ų17163.9 Ų63.974%0.74335%0.347SS*.Hα-helixtrans-65.5-22.5-179-65.5-176.5-178.3178.10113D50 F56D50-K52 PolarHBondContact O-N 3.02Å; K52-F56 PolarHBondContact O-N 3.13Å
53K77.7Confident79.4Confident58 Ų5867.9 Ų67.925%0.25236%0.361SS..Hα-helixtrans-75.5-51.7177.8-60.3178.8-175.4-175.90110.3F17 L46 Q47 G48 D50 G51 Q55 F56 I57F17-K53 HydrophobicContact CE1-CG 3.75Å; F17-K53 HydrophobicContact CZ-CG 4.26Å; L46-K53 HydrophobicContact CB-CD 4.11Å; L46-K53 HydrophobicContact CB-CG 4.46Å; L46-K53 HydrophobicContact CD1-CB 4.25Å; L46-K53 HydrophobicContact CD1-CG 4.49Å; L46-K53 VanDerWaalsContact O-CE 3.32Å; L46-K53 WeakPolarHBondContact O-CE 3.4Å; L46-K53 PolarHBondContact O-NZ 3.03Å; Q47-K53 PolarHBondContact O-NZ 3.32Å; G48-K53 WeakPolarHBondContact O-CD 3.25Å; D50-K53 PolarHBondContact O-N 2.92Å; G51-K53 PolarHBondContact O-N 3.46Å; K53-Q55 PolarHBondContact O-N 3.06Å; K53-F56 WeakPolarHBondContact O-CB 3.42Å; K53-F56 PolarHBondContact O-N 2.91Å; K53-I57 PolarHBondContact O-N 3.02Å
54G76.3Confident79.5Confident17 Ų1768.6 Ų68.618%0.17536%0.362CS..Hα-helixtrans-56.5-45.8173.900000112.9T49 G51 F56 I57 D58T49-G54 VanDerWaalsContact O-CA 3.24Å; T49-G54 WeakPolarHBondContact O-CA 3.45Å; T49-G54 PolarHBondContact O-N 3Å; G51-G54 PolarHBondContact O-N 3.08Å; G54-F56 PolarHBondContact O-N 2.84Å; G54-I57 PolarHBondContact O-N 2.8Å; G54-D58 PolarHBondContact O-N 2.84Å
55Q80.1Confident79.5Confident135 Ų13567.2 Ų67.263%0.63135%0.35SS*.Hα-helixtrans-58.1-31.2175.3-72.9175.9-4.200113.8G51 K53 E59G51-Q55 WeakPolarHBondContact O-CG 3.39Å; G51-Q55 PolarHBondContact O-N 3.5Å; G51-Q55 VanDerWaalsContact O-N 3.11Å; K53-Q55 PolarHBondContact O-N 3.06Å; Q55-E59 WeakPolarHBondContact O-CB 3.33Å; Q55-E59 PolarHBondContact O-N 3.06Å
56F82.8Confident79.5Confident4 Ų470.4 Ų70.42%0.01836%0.361CS..Hα-helixtrans-75.6-40173.9167.2-104.6000111.8W8 Q12 L13 F17 V42 L46 K52 K53 G54 E59 L60W8-F56 HydrophobicContact CH2-CD2 4.09Å; W8-F56 AromaticContact CH2-CE2 3.95Å; W8-F56 HydrophobicContact CH2-CE2 3.95Å; W8-F56 HydrophobicContact CZ3-CE2 4.02Å; Q12-F56 HydrophobicContact CB-CD2 4.09Å; Q12-F56 HydrophobicContact CB-CE2 3.58Å; Q12-F56 HydrophobicContact CB-CZ 4.42Å; Q12-F56 HydrophobicContact CG-CE2 4.22Å; L13-F56 HydrophobicContact CD2-CE1 3.75Å; L13-F56 HydrophobicContact CD2-CZ 3.95Å; L13-F56 HydrophobicContact CG-CE1 4.38Å; L13-F56 HydrophobicContact CG-CZ 4.07Å; F17-F56 HydrophobicContact CE2-CB 4.19Å; F17-F56 HydrophobicContact CE2-CD1 4.03Å; F17-F56 HydrophobicContact CE2-CG 4.03Å; F17-F56 HydrophobicContact CZ-CB 4.25Å; V42-F56 HydrophobicContact CG1-CD1 4.46Å; V42-F56 HydrophobicContact CG1-CE1 4.12Å; L46-F56 HydrophobicContact CD1-CD1 3.87Å; L46-F56 HydrophobicContact CD1-CE1 4.28Å; K52-F56 PolarHBondContact O-N 3.13Å; K53-F56 WeakPolarHBondContact O-CB 3.42Å; K53-F56 PolarHBondContact O-N 2.91Å; G54-F56 PolarHBondContact O-N 2.84Å; F56-E59 PolarHBondContact O-N 3.33Å; F56-L60 HydrophobicContact CE1-CD2 4.5Å; F56-L60 WeakPolarHBondContact O-CB 3.47Å; F56-L60 PolarHBondContact O-N 3.33Å
57I82.6Confident79.4Confident4 Ų472 Ų722%0.02137%0.371CS..Hα-helixtrans-63.6-43.8175.2-65.6161.2000110.7E39 V42 T49 K53 G54 E59 L60 L61E39-I57 HydrophobicContact CB-CG2 4.15Å; E39-I57 HydrophobicContact CG-CG2 4.1Å; V42-I57 HydrophobicContact CB-CG1 4.24Å; V42-I57 HydrophobicContact CG1-CD1 4.21Å; V42-I57 HydrophobicContact CG1-CG1 3.71Å; T49-I57 HydrophobicContact CG2-CD1 4.05Å; K53-I57 PolarHBondContact O-N 3.02Å; G54-I57 PolarHBondContact O-N 2.8Å; I57-E59 PolarHBondContact O-N 3.13Å; I57-L60 WeakPolarHBondContact O-CB 3.25Å; I57-L60 PolarHBondContact O-N 3.41Å; I57-L61 HydrophobicContact CG2-CD1 3.92Å; I57-L61 HydrophobicContact CG2-CG 4.31Å; I57-L61 WeakPolarHBondContact O-CB 3.34Å; I57-L61 VanDerWaalsContact O-CG 3.3Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3.34Å
58D83.2Confident79.1Confident112 Ų11268.8 Ų68.860%0.59936%0.356SS*.Hα-helixtrans-56.9-47.8173.3-80.7-42.1000111.9G54 L62G54-D58 PolarHBondContact O-N 2.84Å; D58-L62 VanDerWaalsContact O-CB 3.26Å; D58-L62 WeakPolarHBondContact O-CB 3.38Å; D58-L62 PolarHBondContact O-N 3.34Å
59E86Confident78.8Confident65 Ų6577 Ų7730%0.30438%0.377SS..Hα-helixtrans-67.9-39.7-180-166.2-178.6177.300111.8W8 Q55 F56 I57 L62 R63W8-E59 HydrophobicContact CH2-CB 4.18Å; W8-E59 HydrophobicContact CH2-CG 3.91Å; W8-E59 VanDerWaalsContact CZ2-CD 3.46Å; W8-E59 HydrophobicContact CZ2-CG 4.06Å; Q55-E59 WeakPolarHBondContact O-CB 3.33Å; Q55-E59 PolarHBondContact O-N 3.06Å; F56-E59 PolarHBondContact O-N 3.33Å; I57-E59 PolarHBondContact O-N 3.13Å; E59-L62 PolarHBondContact O-N 3.36Å; E59-R63 WeakPolarHBondContact O-CB 3.49Å; E59-R63 VanDerWaalsContact O-CG 3.24Å; E59-R63 WeakPolarHBondContact O-CG 3.24Å; E59-R63 PolarHBondContact O-N 2.89Å; E59-R63 IonicContact OE1-CZ 3.99Å; E59-R63 VanDerWaalsContact OE1-CZ 3.22Å; E59-R63 IonicContact OE1-NE 2.86Å; E59-R63 PolarHBondContact OE1-NE 2.98Å; E59-R63 IonicContact OE1-NH2 3.45Å; E59-R63 PolarHBondContact OE1-NH2 2.9Å
60L85.2Confident78.1Confident4 Ų478.4 Ų78.42%0.02138%0.379CS..Hα-helixtrans-58.8-53.2173.5174.563.8000111W8 C9 I29 L30 I38 V42 F56 I57 L62 R63 W64W8-L60 HydrophobicContact CZ3-CD1 4.47Å; C9-L60 WeakPolarHBondContact SG-CD1 3.3Å; I29-L60 HydrophobicContact CG2-CD2 4.29Å; L30-L60 HydrophobicContact CD2-CD1 4.49Å; I38-L60 HydrophobicContact CG2-CD2 4.06Å; V42-L60 HydrophobicContact CG2-CD2 4.08Å; F56-L60 HydrophobicContact CE1-CD2 4.5Å; F56-L60 WeakPolarHBondContact O-CB 3.47Å; F56-L60 PolarHBondContact O-N 3.33Å; I57-L60 WeakPolarHBondContact O-CB 3.25Å; I57-L60 PolarHBondContact O-N 3.41Å; L60-L62 VanDerWaalsContact C-N 3.32Å; L60-L62 PolarHBondContact O-N 2.92Å; L60-R63 PolarHBondContact O-N 2.89Å; L60-W64 VanDerWaalsContact O-CB 3.31Å; L60-W64 WeakPolarHBondContact O-CB 3.4Å; L60-W64 PolarHBondContact O-N 3.49Å
61L84.8Confident77.3Confident11 Ų1174.8 Ų74.86%0.05836%0.364CS..Hα-helixtrans-62.2-38.2178.5-72.2175.6000111.9P35 I38 I57 K65P35-L61 HydrophobicContact CB-CD2 3.77Å; I38-L61 HydrophobicContact CB-CD2 3.99Å; I38-L61 HydrophobicContact CD1-CD2 4.33Å; I38-L61 HydrophobicContact CG2-CD2 3.81Å; I57-L61 HydrophobicContact CG2-CD1 3.92Å; I57-L61 HydrophobicContact CG2-CG 4.31Å; I57-L61 WeakPolarHBondContact O-CB 3.34Å; I57-L61 VanDerWaalsContact O-CG 3.3Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3.34Å; L61-K65 VanDerWaalsContact O-CB 3.23Å; L61-K65 WeakPolarHBondContact O-CB 3.27Å; L61-K65 WeakPolarHBondContact O-CD 3.12Å; L61-K65 WeakPolarHBondContact O-CG 3.46Å; L61-K65 PolarHBondContact O-N 3.26Å
62L85.3Confident75.8Confident97 Ų9774.5 Ų74.551%0.50836%0.361SS..Hα-helixtrans-66.8-39.1176.3-176.467.3000112.2D58 E59 L60 K66D58-L62 VanDerWaalsContact O-CB 3.26Å; D58-L62 WeakPolarHBondContact O-CB 3.38Å; D58-L62 PolarHBondContact O-N 3.34Å; E59-L62 PolarHBondContact O-N 3.36Å; L60-L62 VanDerWaalsContact C-N 3.32Å; L60-L62 PolarHBondContact O-N 2.92Å; L62-K66 WeakPolarHBondContact O-CG 3.29Å; L62-K66 PolarHBondContact O-N 2.92Å
63R82.4Confident74.1Confident86 Ų8673.9 Ų73.933%0.32537%0.366SS..Hα-helixtrans-70.8-48176.5-72167.9175.9-115.35.2111L5 E59 L60 K65 K66 T67L5-R63 HydrophobicContact CD1-CB 3.66Å; L5-R63 HydrophobicContact CD1-CG 4.49Å; E59-R63 WeakPolarHBondContact O-CB 3.49Å; E59-R63 VanDerWaalsContact O-CG 3.24Å; E59-R63 WeakPolarHBondContact O-CG 3.24Å; E59-R63 PolarHBondContact O-N 2.89Å; E59-R63 IonicContact OE1-CZ 3.99Å; E59-R63 VanDerWaalsContact OE1-CZ 3.22Å; E59-R63 IonicContact OE1-NE 2.86Å; E59-R63 PolarHBondContact OE1-NE 2.98Å; E59-R63 IonicContact OE1-NH2 3.45Å; E59-R63 PolarHBondContact OE1-NH2 2.9Å; L60-R63 PolarHBondContact O-N 2.89Å; R63-K65 PolarHBondContact O-N 3.07Å; R63-K66 WeakPolarHBondContact O-CB 3.48Å; R63-K66 PolarHBondContact O-N 2.81Å; R63-T67 PolarHBondContact O-N 3.16Å; R63-T67 VanDerWaalsContact O-N 3.08Å; R63-T67 PolarHBondContact O-OG1 3.37Å
64W83.6Confident72.2Confident22 Ų2276 Ų768%0.08338%0.384CS..Hα-helixtrans-58.4-46176.2179.291.1000112L5 L30 I32 E33 P35 I38 L60 K66 T67 Q68L5-W64 HydrophobicContact CD2-CB 4.4Å; L30-W64 PolarHBondContact O-NE1 2.83Å; I32-W64 WeakPolarHBondContact O-CZ2 3.32Å; E33-W64 WeakPolarHBondContact O-CH2 3.5Å; P35-W64 HydrophobicContact CB-CZ3 4.39Å; I38-W64 HydrophobicContact CD1-CD2 3.95Å; I38-W64 HydrophobicContact CD1-CE3 4.31Å; I38-W64 HydrophobicContact CD1-CG 4.37Å; I38-W64 HydrophobicContact CD1-CZ2 4.13Å; L60-W64 VanDerWaalsContact O-CB 3.31Å; L60-W64 WeakPolarHBondContact O-CB 3.4Å; L60-W64 PolarHBondContact O-N 3.49Å; W64-K66 PolarHBondContact O-N 2.76Å; W64-T67 PolarHBondContact O-N 2.82Å; W64-T67 VanDerWaalsContact O-N 3.13Å; W64-Q68 HydrophobicContact CD2-CG 4.12Å; W64-Q68 HydrophobicContact CE3-CG 4.45Å; W64-Q68 HydrophobicContact CH2-CG 4.25Å; W64-Q68 HydrophobicContact CZ2-CG 3.94Å; W64-Q68 WeakPolarHBondContact O-CG 3.47Å; W64-Q68 PolarHBondContact O-N 3.5Å
65K83.3Confident70.2Confident97 Ų9779.3 Ų79.342%0.42241%0.41SS..Hα-helixtrans-61.6-25.7174.8-74.6166.5-174.3167.10113.5L61 R63 R69L61-K65 VanDerWaalsContact O-CB 3.23Å; L61-K65 WeakPolarHBondContact O-CB 3.27Å; L61-K65 WeakPolarHBondContact O-CD 3.12Å; L61-K65 WeakPolarHBondContact O-CG 3.46Å; L61-K65 PolarHBondContact O-N 3.26Å; R63-K65 PolarHBondContact O-N 3.07Å; K65-R69 WeakPolarHBondContact O-CG 2.95Å; K65-R69 PolarHBondContact O-N 3.12Å
66K81.3Confident68Low124 Ų12476.1 Ų76.154%0.53941%0.413SS..Hα-helixtrans-76.4-44.1172.5-74.3171.1-178.1177.30111.6L62 R63 W64 Q68 R69 Q70L62-K66 WeakPolarHBondContact O-CG 3.29Å; L62-K66 PolarHBondContact O-N 2.92Å; R63-K66 WeakPolarHBondContact O-CB 3.48Å; R63-K66 PolarHBondContact O-N 2.81Å; W64-K66 PolarHBondContact O-N 2.76Å; K66-Q68 VanDerWaalsContact C-N 3.33Å; K66-Q68 PolarHBondContact O-N 3.03Å; K66-R69 PolarHBondContact O-N 3.39Å; K66-R69 VanDerWaalsContact O-N 3.15Å; K66-Q70 PolarHBondContact O-N 3.16Å; K66-Q70 VanDerWaalsContact O-N 3.14Å
67T75.3Confident65.5Low44 Ų4482.7 Ų82.727%0.2745%0.447SS..Hα-helixtrans-58.8-44.2175.6-51.70000111.3R63 W64 R69 Q70 S71R63-T67 PolarHBondContact O-N 3.16Å; R63-T67 VanDerWaalsContact O-N 3.08Å; R63-T67 PolarHBondContact O-OG1 3.37Å; W64-T67 PolarHBondContact O-N 2.82Å; W64-T67 VanDerWaalsContact O-N 3.13Å; T67-R69 VanDerWaalsContact C-N 3.27Å; T67-R69 PolarHBondContact O-N 2.9Å; T67-Q70 PolarHBondContact O-N 3.48Å; T67-S71 PolarHBondContact O-N 2.71Å; T67-S71 PolarHBondContact O-OG 3.38Å
68Q70.8Confident62.8Low101 Ų10191.1 Ų91.147%0.47248%0.484SS..Hα-helixtrans-67.9-18.8177.4-66.8-66.84.500114.6W64 K66 S71W64-Q68 HydrophobicContact CD2-CG 4.12Å; W64-Q68 HydrophobicContact CE3-CG 4.45Å; W64-Q68 HydrophobicContact CH2-CG 4.25Å; W64-Q68 HydrophobicContact CZ2-CG 3.94Å; W64-Q68 WeakPolarHBondContact O-CG 3.47Å; W64-Q68 PolarHBondContact O-N 3.5Å; K66-Q68 VanDerWaalsContact C-N 3.33Å; K66-Q68 PolarHBondContact O-N 3.03Å; Q68-S71 PolarHBondContact O-OG 3.1Å; Q68-S71 VanDerWaalsContact O-OG 3.07Å
69R64.6Low60Low207 Ų20792.3 Ų92.378%0.78149%0.49SS*.Hα-helixtrans-83-37.7171-79.3-178.6173.3-176-1.7112.1K65 K66 T67 S71 G72K65-R69 WeakPolarHBondContact O-CG 2.95Å; K65-R69 PolarHBondContact O-N 3.12Å; K66-R69 PolarHBondContact O-N 3.39Å; K66-R69 VanDerWaalsContact O-N 3.15Å; T67-R69 VanDerWaalsContact C-N 3.27Å; T67-R69 PolarHBondContact O-N 2.9Å; R69-S71 VanDerWaalsContact C-N 3.31Å; R69-S71 PolarHBondContact O-N 3.38Å; R69-G72 PolarHBondContact O-N 2.94Å; R69-G72 VanDerWaalsContact O-N 3.08Å
70Q57.1Low57.1Low99 Ų9995.7 Ų95.746%0.46351%0.509SS..Hα-helixtrans-70.2-25.6-178.7-72.1177.5-30.400113.4K66 T67 G72 T74K66-Q70 PolarHBondContact O-N 3.16Å; K66-Q70 VanDerWaalsContact O-N 3.14Å; T67-Q70 PolarHBondContact O-N 3.48Å; Q70-G72 VanDerWaalsContact C-N 3.27Å; Q70-G72 PolarHBondContact O-N 2.86Å; Q70-T74 PolarHBondContact O-OG1 3.42Å
71S50.2Low54.1Low60 Ų60100 Ų10042%0.4253%0.528SS..Hα-helixtrans-68.8-22.4169.344.90000113.5T67 Q68 R69 T74T67-S71 PolarHBondContact O-N 2.71Å; T67-S71 PolarHBondContact O-OG 3.38Å; Q68-S71 PolarHBondContact O-OG 3.1Å; Q68-S71 VanDerWaalsContact O-OG 3.07Å; R69-S71 VanDerWaalsContact C-N 3.31Å; R69-S71 PolarHBondContact O-N 3.38Å; S71-T74 PolarHBondContact O-OG1 3.48Å; S71-T74 VanDerWaalsContact O-OG1 3.11Å
72G44.8Very low51.4Low47 Ų47106.1 Ų106.149%0.48556%0.556SS.*Hα-helixtrans-70.6-54.2178.500000113.2R69 Q70 T74 A75R69-G72 PolarHBondContact O-N 2.94Å; R69-G72 VanDerWaalsContact O-N 3.08Å; Q70-G72 VanDerWaalsContact C-N 3.27Å; Q70-G72 PolarHBondContact O-N 2.86Å; G72-T74 PolarHBondContact O-N 3.37Å; G72-A75 WeakPolarHBondContact O-CB 3.36Å; G72-A75 PolarHBondContact O-N 3.28Å; G72-A75 VanDerWaalsContact O-N 3.1Å
73D39Very low48.6Very low158 Ų158105.2 Ų105.285%0.84556%0.558SS**Hα-helixtrans-67.1-22.2-177.2-72.6-37.4000113.2A75D73-A75 VanDerWaalsContact C-N 3.32Å
74T37.5Very low46Very low102 Ų102105.3 Ų105.363%0.62658%0.577SS**G310 helixtrans-78.4-9.6174.447.10000114.4Q70 S71 G72 G76Q70-T74 PolarHBondContact O-OG1 3.42Å; S71-T74 PolarHBondContact O-OG1 3.48Å; S71-T74 VanDerWaalsContact O-OG1 3.11Å; G72-T74 PolarHBondContact O-N 3.37Å; T74-G76 PolarHBondContact O-N 3.22Å; T74-G76 VanDerWaalsContact O-N 3.14Å
75A34.3Very low43.4Very low87 Ų87109.6 Ų109.672%0.71961%0.611SS**G310 helixtrans-73.3-0.5-178.400000114.5G72 D73G72-A75 WeakPolarHBondContact O-CB 3.36Å; G72-A75 PolarHBondContact O-N 3.28Å; G72-A75 VanDerWaalsContact O-N 3.1Å; D73-A75 VanDerWaalsContact C-N 3.32Å
76G33.9Very low40.9Very low67 Ų67110.6 Ų110.669%0.69163%0.627SS**G310 helixtrans-79.1-13.317900000115.9T74T74-G76 PolarHBondContact O-N 3.22Å; T74-G76 VanDerWaalsContact O-N 3.14Å
77L29.7Very low38.3Very low143 Ų143109.1 Ų109.175%0.74964%0.638SS**SBendtrans-140.4118.5-172.9-73.7172.9000113.9
78F25.8Very low35.9Very low181 Ų181114.1 Ų114.179%0.79466%0.663SS**  trans68103.1157.5-78.1-97000121.4
79L25.8Very low33.8Very low137 Ų137116 Ų11672%0.71767%0.673SS**  54.8125.1128.2-63.5-177.6000122.9
80L24Very low31.9Very low135 Ų135113.7 Ų113.771%0.70767%0.672SS**  trans72.8102.8131.1-67.6170.1000121.6
81K23.1Very low30.4Very low95 Ų95115.2 Ų115.241%0.41368%0.683SS.*  82.9115.5103.3-177177.8164.7-1780121.1V573K81-V573 VanDerWaalsContact CE-C 3.46Å; K81-V573 VanDerWaalsContact CE-CG1 3.44Å; K81-V573 VanDerWaalsContact CE-OXT 3.24Å; K81-V573 WeakPolarHBondContact CE-OXT 3.47Å; K81-V573 PolarHBondContact NZ-O 3.12Å; K81-V573 PolarHBondContact NZ-OXT 3.42Å
82E27.9Very low29.2Very low139 Ų139120.4 Ų120.465%0.6570%0.698SS**  trans30.4135.9136.3-53-179.311600121.3
83S26.6Very low28.3Very low79 Ų79125.3 Ų125.355%0.55272%0.719SS**  178.8135.683.129.80000116R487S83-R487 PolarHBondContact OG-NH2 3.11Å
84A27.3Very low27.7Very low88 Ų88126.4 Ų126.473%0.72772%0.716SS**  trans29.1118.7140.500000121.1
85S28.5Very low27Very low112 Ų112128.1 Ų128.178%0.78372%0.722SS**  89.1149.57885.60000114.7
86P32.5Very low26.7Very low118 Ų118128.7 Ų128.777%0.76672%0.716SS**  -160.3166.888.242.7-22.6000119.9
87A26.1Very low26.4Very low93 Ų93132.2 Ų132.277%0.76972%0.715SS**  trans57.2162.3147.300000121.8
88D24.8Very low26.3Very low148 Ų148133.6 Ų133.679%0.79171%0.714SS**  cis-159.8-178-0-142.6-39.6000113.5
89M25.7Very low26.3Very low141 Ų141134.5 Ų134.570%0.69572%0.718SS**  trans79.3119.5167.6-58.4-163.174.500119.7
90Q26.3Very low26.3Very low159 Ų159133 Ų13374%0.74372%0.719SS**  76.7145.687.5-66.2176.726.600115.2
91D24.4Very low26.5Very low131 Ų131136 Ų13670%0.70173%0.727SS**  cis-151.2-160.220.6-160.331000116.3
92F25.5Very low26.9Very low169 Ų169143.2 Ų143.274%0.74175%0.751SS**  trans-74.7156.3-161-70.5-76.6000121.1
93T25.3Very low26.9Very low150 Ų150146.9 Ų146.992%0.9277%0.765SS**  -163.6179.4118.316.30000113.8
94K25.9Very low26.9Very low180 Ų180146.6 Ų146.678%0.78378%0.775SS**  -165.1124.2-129.8168.2-165179.5-175.10115.4
95D24.6Very low27Very low139 Ų139154.4 Ų154.474%0.74379%0.785SS**  trans-163123.3147-116.8-40.5000110.4
96T26.3Very low26.9Very low98 Ų98156.3 Ų156.360%0.60179%0.787SS**  44.513298.396.20000115.6
97Q29.2Very low26.8Very low142 Ų142158.4 Ų158.466%0.66478%0.784SS**  cis-155.9-174.120.6-124.1154.5104.900108.9
98K27.1Very low26.9Very low171 Ų171159.4 Ų159.474%0.74377%0.772SS**  cis-143.6-112.511.7-149.2136.3-175.5151.80112.7
99K25.2Very low27.1Very low200 Ų200159.6 Ų159.687%0.8777%0.769SS**  trans-152.2171.7-172.5-63.6-179.4178162.90108.7
100S26.7Very low27.2Very low105 Ų105158.9 Ų158.973%0.73477%0.772SS**  cis-168.1146.93256.90000118.6
101K28Very low27.2Very low200 Ų200156.9 Ų156.987%0.8777%0.771SS**  trans54.9101.6138.7-69.7-177.1174.8178.20124.1
102R32.2Very low27.2Very low245 Ų245156.7 Ų156.793%0.92577%0.774SS**  34.3147.5113.1-83.9-175.6170.1179.7-2.7124
103K26.2Very low27.3Very low216 Ų216152.4 Ų152.494%0.93977%0.77SS**  trans90.1142.2168.9-65.3-175.8174.2-177.50115.3
104G26.5Very low27.3Very low74 Ų74150.4 Ų150.476%0.76376%0.762SS**  cis147.9138.8-15.900000116
105R30.1Very low27.4Very low252 Ų252150.5 Ų150.595%0.95177%0.765SS**  trans89.292.9173.8-64.9-178166.6173.6-5.4120.2
106N26.1Very low27.4Very low152 Ų152149.2 Ų149.281%0.81376%0.763SS**  32.4117.8111.7-171.731000122.3
107K30.7Very low27.5Very low161 Ų161153 Ų15370%0.777%0.774SS**  -178.6145.1121.1-115.5-150.1173.7-159.80113.7
108Q29.1Very low27.9Very low114 Ų114151.4 Ų151.453%0.53378%0.776SS.*  trans39.6129.9141-61.4-156-88.400121.3
109E28.3Very low28Very low152 Ų152151 Ų15171%0.7178%0.776SS**  79.7135.258-65.4145.4-130.300113
110V27.4Very low28.3Very low127 Ų127147 Ų14777%0.7777%0.771SS**  cis-167.8157.93.297.40000114.2
111V26.6Very low28.6Very low117 Ų117148.2 Ų148.271%0.70977%0.765SS**  trans66.9110.8152.2168.20000124
112T24.7Very low29.2Very low126 Ų126144.2 Ų144.277%0.77376%0.759SS**  65124.5114.2-41.80000126.7
113A27Very low29.2Very low80 Ų80138.6 Ų138.666%0.66175%0.752SS**  trans65.9114.7139.800000127
114S25.9Very low29.7Very low107 Ų107136.8 Ų136.875%0.74874%0.744SS**  50128.2110.7-45.80000126.2
115Q27.4Very low30.3Very low183 Ų183140 Ų14086%0.85575%0.749SS**  trans-177.5126.4132.6-95.8160.174.200108
116T25.8Very low30.6Very low112 Ų112133.5 Ų133.569%0.68774%0.74SS**  59.4139.181.754.30000115.1
117E27.6Very low31.1Very low177 Ų177134.7 Ų134.783%0.82774%0.743SS**  cis-148.7-146.815.2-135.8169.9-103.200114.5
118P37.6Very low31.3Very low109 Ų109134.4 Ų134.471%0.70875%0.749SS**  trans-134.1176.2-139.946.9-27.3000121
119E29.1Very low32.1Very low161 Ų161137 Ų13775%0.75277%0.765SS**  trans67.2159.5150-117.9-164.1-115.800122.3E121E119-E121 PolarHBondContact OE2-N 2.83Å; E119-E121 VanDerWaalsContact OE2-N 3.13Å
120P31.3Very low32.8Very low118 Ų118138.5 Ų138.577%0.76678%0.775SS**  -142.3164.266.840.4-22.1000119.1
121E33.6Very low33.4Very low129 Ų129144 Ų14460%0.60378%0.781SS**  trans-67.1173.9161.3-71.1-157.6154.600114.1E119E119-E121 PolarHBondContact OE2-N 2.83Å; E119-E121 VanDerWaalsContact OE2-N 3.13Å
122P41Very low33.8Very low116 Ų116143.3 Ų143.375%0.75379%0.788SS**  -148.4134.398.536.2-18.6000118.6
123V30.6Very low34.3Very low128 Ų128146.5 Ų146.578%0.77679%0.794SS**  trans75147.9131.5-179.80000120.3
124K38.5Very low34.4Very low178 Ų178152 Ų15277%0.77481%0.806SS**  trans-118.6166.1-172.7-57.8153.5-172.9160.80111
125T37.9Very low34.5Very low140 Ų140154.4 Ų154.486%0.85981%0.811SS**  trans-130.2149.715751.60000111.7
126P37.4Very low34.4Very low116 Ų116151.3 Ų151.375%0.75381%0.809SS**  trans-122.3108.1-171.733.5-14.2000113.7
127M35.8Very low34.4Very low178 Ų178153.1 Ų153.188%0.87782%0.815SS**  trans-135.2172.8161.2-72.9-174.668.400109.4L129M127-L129 PolarHBondContact O-N 3.28Å
128D34.8Very low34.3Very low155 Ų155151 Ų15183%0.82981%0.814SS**  trans65.825.4-178.7-64.4-9.7000117.5M130D128-M130 PolarHBondContact O-N 2.9Å; D128-M130 VanDerWaalsContact O-N 3.11Å
129L46.1Very low34.2Very low167 Ų167151.1 Ų151.187%0.87482%0.818SS**  trans-73.312.4168.1-111175.3000114.7M127M127-L129 PolarHBondContact O-N 3.28Å
130M43Very low34.1Very low185 Ų185148.9 Ų148.991%0.91182%0.82SS**SBendtrans-137.153.8-176-72.6-170.268.600114D128D128-M130 PolarHBondContact O-N 2.9Å; D128-M130 VanDerWaalsContact O-N 3.11Å
131R40Very low34.7Very low242 Ų242150.2 Ų150.291%0.91383%0.826SS**SBendtrans-148.832.8165.6-145176.6-174.3166.23.6115.9
132A33.8Very low35.1Very low103 Ų103153.7 Ų153.785%0.85184%0.839SS**  trans-135.745-17300000114.1
133Q35.5Very low35.5Very low193 Ų193157.7 Ų157.790%0.90285%0.845SS**  trans-146.770.5171.3-163.4173.14.200113.1
134E30.1Very low36.5Very low195 Ų195161.6 Ų161.691%0.91185%0.851SS**  trans-155.1159.6147.9-124.3169-156.500111.1
135N27.2Very low37.5Very low157 Ų157158 Ų15884%0.8484%0.844SS**  trans-78.6145.1-162.4-68-45.8000114.1
136S24.9Very low38.6Very low118 Ų118162 Ų16283%0.82585%0.85SS**  177.2158.7107.545.30000113.4
137N26.5Very low39.5Very low150 Ų150164.9 Ų164.980%0.80285%0.851SS**  trans-85.9143.4179.2-60.7-58.8000111.3
138T26.6Very low40.9Very low132 Ų132158.9 Ų158.981%0.8182%0.824SS**  172153.1104.635.60000113.9
139S33.8Very low42.6Very low113 Ų113156.1 Ų156.179%0.7981%0.809SS**  trans13.5116.9158.157.20000120.9
140S26.9Very low43.2Very low113 Ų113153.2 Ų153.279%0.7979%0.794SS**  trans-153.3149.7134.850.50000112.1
141T44.7Very low44Very low146 Ų146153.9 Ų153.990%0.89679%0.788SS**PPolyproline II helixtrans-71.9122.4-173.140.50000112.5
142K41.8Very low45.4Very low203 Ų203144.3 Ų144.388%0.88376%0.761SS**PPolyproline II helixtrans-92.9137.3171.1-70.9-173.2177.8178.80111.3
143K49.3Very low46.8Very low200 Ų200147.5 Ų147.587%0.8776%0.755SS**PPolyproline II helixtrans-67.6138.8-175.1-61.7173.8-178.1174.60110.2T145K143-T145 PolarHBondContact O-N 2.74Å
144K52.1Low48Very low209 Ų209144.2 Ų144.291%0.90974%0.74SS**PPolyproline II helixtrans-56.5120.5176.9-66.3-177.1178.8-179.20110.3
145T60.2Low49.4Very low104 Ų104135.1 Ų135.164%0.63870%0.698SS**PPolyproline II helixtrans-70.1141.6170.250.40000109.6K143 F147K143-T145 PolarHBondContact O-N 2.74Å; T145-F147 WeakPolarHBondContact CB-O 3.35Å; T145-F147 PolarHBondContact O-N 2.7Å; T145-F147 PolarHBondContact OG1-O 2.75Å
146K60.8Low51.1Low224 Ų224132.9 Ų132.997%0.97468%0.683SS**SBendtrans-70-8.7176.1-85.6-172.5173.5-177.70113.8
147F56.6Low52.7Low175 Ų175132.5 Ų132.577%0.76867%0.672SS**  trans-132140.6176.8-153.7-107.1000108.9T145T145-F147 WeakPolarHBondContact CB-O 3.35Å; T145-F147 PolarHBondContact O-N 2.7Å; T145-F147 PolarHBondContact OG1-O 2.75Å
148V63.9Low54.2Low53 Ų53131.2 Ų131.232%0.32166%0.659SS.*  trans-126.7126.4177177.20000106.5L150 E154V148-L150 PolarHBondContact O-N 2.84Å; V148-E154 HydrophobicContact CG1-CB 4.22Å
149N70.5Confident55.8Low96 Ų96130.5 Ų130.551%0.51365%0.649SS.*  trans-68.5124.7-179-176-9.2000110Y151 A152N149-Y151 PolarHBondContact O-N 2.98Å; N149-Y151 VanDerWaalsContact O-N 3.13Å; N149-Y151 PolarHBondContact OD1-N 2.99Å; N149-A152 HydrophobicContact CB-CB 4.3Å; N149-A152 WeakPolarHBondContact O-CB 3.35Å; N149-A152 PolarHBondContact O-N 3.03Å
150L58.6Low57.2Low107 Ų107126.6 Ų126.656%0.5662%0.624SS**THydrogen-bonded Turntrans-58.5-24.5179.8-65171.1000113.3V148 Q156 L159V148-L150 PolarHBondContact O-N 2.84Å; L150-Q156 WeakPolarHBondContact O-CG 3.33Å; L150-L159 HydrophobicContact CD2-CD1 4.39Å; L150-L159 HydrophobicContact CD2-CD2 4.49Å
151Y61Low59.2Low198 Ų198126.8 Ų126.878%0.77662%0.62SS**THydrogen-bonded Turntrans-93.1-4.1178.7-60-82000114N149N149-Y151 PolarHBondContact O-N 2.98Å; N149-Y151 VanDerWaalsContact O-N 3.13Å; N149-Y151 PolarHBondContact OD1-N 2.99Å
152A69.7Low60.6Low42 Ų42123.8 Ų123.835%0.34760%0.599SS.*SBendtrans-77.3154.9166.700000109.8N149 E154 G155 Q156N149-A152 HydrophobicContact CB-CB 4.3Å; N149-A152 WeakPolarHBondContact O-CB 3.35Å; N149-A152 PolarHBondContact O-N 3.03Å; A152-E154 VanDerWaalsContact C-N 3.28Å; A152-E154 PolarHBondContact O-N 3.41Å; A152-G155 WeakPolarHBondContact O-CA 3.34Å; A152-G155 PolarHBondContact O-N 2.91Å; A152-Q156 PolarHBondContact O-N 3.45Å
153K62.4Low62.4Low169 Ų169118.8 Ų118.874%0.73558%0.581SS**Hα-helixtrans-51.9-50.1175.3-65.8-169.9175.2-172.70111.2G155 Q156 D157K153-G155 PolarHBondContact O-N 3.01Å; K153-Q156 PolarHBondContact O-N 2.91Å; K153-D157 VanDerWaalsContact C-OD2 3.24Å; K153-D157 WeakPolarHBondContact O-CB 3.48Å; K153-D157 PolarHBondContact O-N 3.4Å
154E60.1Low63.7Low124 Ų124115 Ų11558%0.57958%0.576SS**Hα-helixtrans-54.6-19.8172.5-83-157.8-130.400116.2V148 A152 K158V148-E154 HydrophobicContact CG1-CB 4.22Å; A152-E154 VanDerWaalsContact C-N 3.28Å; A152-E154 PolarHBondContact O-N 3.41Å; E154-K158 VanDerWaalsContact O-CD 3.24Å; E154-K158 WeakPolarHBondContact O-CD 3.32Å; E154-K158 WeakPolarHBondContact O-CE 3.3Å; E154-K158 WeakPolarHBondContact O-CG 3.38Å; E154-K158 PolarHBondContact O-NZ 3.12Å; E154-K158 IonicContact OE2-NZ 3.08Å; E154-K158 PolarHBondContact OE2-NZ 3.31Å; E154-K158 VanDerWaalsContact OE2-NZ 3.08Å
155G60.1Low65Low4 Ų4107.8 Ų107.84%0.04156%0.562CS.*Hα-helixtrans-87.2-43.7172.800000111.7A152 K153 K158 L159A152-G155 WeakPolarHBondContact O-CA 3.34Å; A152-G155 PolarHBondContact O-N 2.91Å; K153-G155 PolarHBondContact O-N 3.01Å; G155-K158 PolarHBondContact O-N 3.01Å; G155-L159 PolarHBondContact O-N 3.35Å
156Q61.7Low66.1Low111 Ų111108.6 Ų108.652%0.51955%0.553SS.*Hα-helixtrans-64-44.7176.6-64.7179-21.200111.8L150 A152 K153 K158 L159L150-Q156 WeakPolarHBondContact O-CG 3.33Å; A152-Q156 PolarHBondContact O-N 3.45Å; K153-Q156 PolarHBondContact O-N 2.91Å; Q156-K158 PolarHBondContact O-N 2.81Å; Q156-K158 VanDerWaalsContact O-N 3.16Å; Q156-L159 PolarHBondContact O-N 3.47Å
157D58.4Low67.1Low110 Ų110101.7 Ų101.759%0.58852%0.524SS*.THydrogen-bonded Turntrans-59.3-27.3176-58.3-33.1000112.2K153K153-D157 VanDerWaalsContact C-OD2 3.24Å; K153-D157 WeakPolarHBondContact O-CB 3.48Å; K153-D157 PolarHBondContact O-N 3.4Å
158K59.8Low68.5Low123 Ų12397.1 Ų97.154%0.53552%0.519SS..THydrogen-bonded Turntrans-88.8-7.9178.2-66.9-179.6-170.992.90113.8E154 G155 Q156E154-K158 VanDerWaalsContact O-CD 3.24Å; E154-K158 WeakPolarHBondContact O-CD 3.32Å; E154-K158 WeakPolarHBondContact O-CE 3.3Å; E154-K158 WeakPolarHBondContact O-CG 3.38Å; E154-K158 PolarHBondContact O-NZ 3.12Å; E154-K158 IonicContact OE2-NZ 3.08Å; E154-K158 PolarHBondContact OE2-NZ 3.31Å; E154-K158 VanDerWaalsContact OE2-NZ 3.08Å; G155-K158 PolarHBondContact O-N 3.01Å; Q156-K158 PolarHBondContact O-N 2.81Å; Q156-K158 VanDerWaalsContact O-N 3.16Å
159L59.2Low69.6Low116 Ų11695.6 Ų95.661%0.60751%0.51SS*.THydrogen-bonded Turntrans-88.8-12.9171.2-68.7168.8000112.4L150 G155 Q156 V161L150-L159 HydrophobicContact CD2-CD1 4.39Å; L150-L159 HydrophobicContact CD2-CD2 4.49Å; G155-L159 PolarHBondContact O-N 3.35Å; Q156-L159 PolarHBondContact O-N 3.47Å; L159-V161 VanDerWaalsContact C-N 3.35Å; L159-V161 PolarHBondContact O-N 3.05Å
160A63.1Low70.3Confident31 Ų3199.1 Ų99.126%0.25652%0.523SS..  trans-77.279.7173.800000111.2L162 K175A160-L162 PolarHBondContact O-N 3.32Å; A160-K175 WeakPolarHBondContact CB-O 3.25Å
161V68.6Low71.5Confident118 Ų11894.7 Ų94.772%0.71550%0.502SS*.  trans-70.797.8176.7-1780000110.1L159 L163L159-V161 VanDerWaalsContact C-N 3.35Å; L159-V161 PolarHBondContact O-N 3.05Å; V161-L163 PolarHBondContact O-N 3.06Å
162L75.1Confident72.7Confident83 Ų8390.3 Ų90.344%0.43549%0.491SS..PPolyproline II helixtrans-66.3125.8173.2-67.8172000110.9A160 Q192A160-L162 PolarHBondContact O-N 3.32Å; L162-Q192 HydrophobicContact CD2-CB 3.94Å
163L79.3Confident73.3Confident98 Ų9889.8 Ų89.851%0.51349%0.487SS..PPolyproline II helixtrans-74.4141.6171.3-64.1173.2000110.2V161 G165 Q192V161-L163 PolarHBondContact O-N 3.06Å; L163-G165 PolarHBondContact O-N 3.11Å; L163-Q192 PolarHBondContact O-NE2 3.29Å
164P76.7Confident74.3Confident119 Ų11989.5 Ų89.577%0.77349%0.488SS*.SBendtrans-67.813017728-34.1000111.3H167P164-H167 PolarHBondContact O-NE2 3.02Å
165G79.1Confident75.3Confident59 Ų5991.2 Ų91.261%0.60849%0.493SS*.SBendtrans94.1-176.3-176.100000113.2L163 H167 Q192L163-G165 PolarHBondContact O-N 3.11Å; G165-H167 PolarHBondContact O-CD2 3.48Å; G165-Q192 PolarHBondContact O-NE2 3.42Å
166R82.8Confident76.5Confident121 Ų12192.5 Ų92.546%0.45750%0.498SS..  trans-93.1120.8-178.4-63.1175.3176.3-88.7-5109.6E193 G194 S195R166-E193 WeakPolarHBondContact CG-O 3.24Å; R166-E193 PolarHBondContact NH1-O 2.94Å; R166-G194 PolarHBondContact NH1-O 2.85Å; R166-G194 VanDerWaalsContact NH1-O 3.08Å; R166-S195 VanDerWaalsContact CZ-O 3.3Å; R166-S195 PolarHBondContact NH1-O 2.83Å; R166-S195 PolarHBondContact NH2-O 3.33Å
167H83Confident77.6Confident79 Ų7990.2 Ų90.237%0.36650%0.499SS..  trans-131.8138-179.5-61.5-80.4000109.5P164 G165 C169 Q192 E193P164-H167 PolarHBondContact O-NE2 3.02Å; G165-H167 PolarHBondContact O-CD2 3.48Å; H167-C169 PolarHBondContact O-N 2.82Å; H167-Q192 HydrophobicContact CB-CG 4.34Å; H167-Q192 PolarHBondContact N-O 3.05Å; H167-Q192 VanDerWaalsContact N-O 3.13Å; H167-E193 WeakPolarHBondContact O-CG 3.27Å
168A86.1Confident79.1Confident79 Ų7990.3 Ų90.365%0.65350%0.499SS*.  trans-58.7131177.900000110.5L199A168-L199 HydrophobicContact CB-CD1 3.95Å
169C85.5Confident80.4Confident20 Ų2085.6 Ų85.614%0.13548%0.479CS..  trans-137.6109.3-172.7-164.80000111.9H167 C171 H176 Q192 E193H167-C169 PolarHBondContact O-N 2.82Å; C169-C171 PolarHBondContact O-N 3.42Å; C169-C171 VanDerWaalsContact O-N 3.1Å; C169-H176 PolarHBondContact SG-CE1 3.23Å; C169-H176 PolarHBondContact SG-ND1 3.42Å; C169-Q192 HydrophobicContact CB-CB 3.98Å; C169-Q192 HydrophobicContact CB-CG 4.02Å; C169-E193 HydrophobicContact CB-CG 3.91Å; C169-E193 PolarHBondContact N-OE1 2.97Å
170E86.3Confident81.9Confident170 Ų17082.1 Ų82.179%0.79446%0.461SS*.THydrogen-bonded Turntrans-81.819.7-177.3-54.4-172.7141.100113.2L172E170-L172 PolarHBondContact O-N 3.22Å
171C84.1Confident83.2Confident15 Ų1584 Ų8410%0.10147%0.467CS..THydrogen-bonded Turntrans-76.7-5.8-174.481.80000114.5C169 A173 Q174 K175C169-C171 PolarHBondContact O-N 3.42Å; C169-C171 VanDerWaalsContact O-N 3.1Å; C171-A173 PolarHBondContact O-N 2.87Å; C171-Q174 VanDerWaalsContact O-CB 3.27Å; C171-Q174 WeakPolarHBondContact O-CB 3.28Å; C171-Q174 WeakPolarHBondContact O-CG 3.43Å; C171-Q174 PolarHBondContact O-N 3.11Å; C171-K175 HydrophobicContact CB-CB 3.97Å; C171-K175 HydrophobicContact CB-CD 4.37Å; C171-K175 HydrophobicContact CB-CG 4.24Å
172L85Confident84.1Confident105 Ų10578.4 Ų78.455%0.5543%0.433SS..THydrogen-bonded Turntrans46.940.2-179.3-58176.7000113.5E170 Q174E170-L172 PolarHBondContact O-N 3.22Å; L172-Q174 PolarHBondContact O-N 2.98Å; L172-Q174 VanDerWaalsContact O-N 3.16Å
173A82.2Confident84.6Confident31 Ų3182 Ų8226%0.25645%0.452SS..THydrogen-bonded Turntrans55.318.9-172.500000116.9C171 H176 L178 I188 C190C171-A173 PolarHBondContact O-N 2.87Å; A173-H176 CarbonylContact C-O 3.25Å; A173-H176 WeakPolarHBondContact CA-O 3.33Å; A173-L178 HydrophobicContact CB-CB 3.81Å; A173-L178 HydrophobicContact CB-CD1 3.94Å; A173-L178 HydrophobicContact CB-CG 4.47Å; A173-I188 HydrophobicContact CB-CG2 3.88Å; A173-C190 HydrophobicContact CB-CB 4.46Å
174Q83.3Confident84.9Confident164 Ų16480.9 Ų80.977%0.76645%0.452SS*.SBendtrans-81.2-19.3174.2-60.3-177.6-14.800114.1C171 L172C171-Q174 VanDerWaalsContact O-CB 3.27Å; C171-Q174 WeakPolarHBondContact O-CB 3.28Å; C171-Q174 WeakPolarHBondContact O-CG 3.43Å; C171-Q174 PolarHBondContact O-N 3.11Å; L172-Q174 PolarHBondContact O-N 2.98Å; L172-Q174 VanDerWaalsContact O-N 3.16Å
175K81.8Confident85.4Confident159 Ų15977.4 Ų77.469%0.69143%0.43SS*.SBendtrans-123.6-23.4-176.9-61.1-176.6179.9178.40114.5A160 C171A160-K175 WeakPolarHBondContact CB-O 3.25Å; C171-K175 HydrophobicContact CB-CB 3.97Å; C171-K175 HydrophobicContact CB-CD 4.37Å; C171-K175 HydrophobicContact CB-CG 4.24Å
176H85.2Confident85.7Confident31 Ų3176.9 Ų76.914%0.14442%0.424CS..SBendtrans-125.7151177.1-57.1130.6000107.7C169 A173 C190 D191C169-H176 PolarHBondContact SG-CE1 3.23Å; C169-H176 PolarHBondContact SG-ND1 3.42Å; A173-H176 CarbonylContact C-O 3.25Å; A173-H176 WeakPolarHBondContact CA-O 3.33Å; H176-C190 HydrophobicContact CB-CB 3.96Å; H176-D191 HydrophobicContact CB-CB 4.25Å
177A85.9Confident86Confident64 Ų6474.2 Ų74.253%0.52941%0.414SS..  trans-56.1145.5-179.600000112C190 D191A177-C190 CarbonylContact O-C 3.57Å; A177-C190 VanDerWaalsContact O-CA 3.24Å; A177-C190 WeakPolarHBondContact O-CA 3.31Å; A177-C190 WeakPolarHBondContact O-CB 3.48Å; A177-D191 HydrophobicContact CB-CB 4.33Å; A177-D191 PolarHBondContact O-N 3.27Å
178L89.4Confident86.3Confident112 Ų11273.2 Ų73.259%0.58641%0.411SS*.EExtended strand (participates in β ladder)trans-71.3125.8173.9176.761.8000109.7A173 I188A173-L178 HydrophobicContact CB-CB 3.81Å; A173-L178 HydrophobicContact CB-CD1 3.94Å; A173-L178 HydrophobicContact CB-CG 4.47Å; L178-I188 HydrophobicContact CD1-CG2 3.48Å; L178-I188 VanDerWaalsContact CD1-CG2 3.48Å
179I87.3Confident86.4Confident23 Ų2369.7 Ų69.712%0.11838%0.381CS..EExtended strand (participates in β ladder)trans-86.9-63.1167.4-72.5-177.6000109.2V189 T207I179-V189 PolarHBondContact N-O 2.94Å; I179-T207 HydrophobicContact CG2-CG2 4Å
180N90.3Very high86.7Confident44 Ų4468.8 Ų68.824%0.23538%0.375CS..EExtended strand (participates in β ladder)trans-169.8174179.8-146.7-25.1000111V189 V205 C206 Q211N180-V189 PolarHBondContact N-O 3.45Å; N180-V189 PolarHBondContact O-N 3.2Å; N180-V205 HydrophobicContact CB-CG1 3.68Å; N180-C206 WeakPolarHBondContact CB-O 3.46Å; N180-C206 PolarHBondContact ND2-O 3.1Å; N180-Q211 PolarHBondContact ND2-OE1 3.12Å
181N89.9Confident86.8Confident70 Ų7064.5 Ų64.537%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-95.9138.2167.9-168.6-6.2000110.6L183 G186 R187N181-L183 PolarHBondContact O-N 3.06Å; N181-L183 VanDerWaalsContact O-N 3.16Å; N181-G186 VanDerWaalsContact OD1-CA 3.29Å; N181-G186 WeakPolarHBondContact OD1-CA 3.4Å; N181-G186 PolarHBondContact OD1-O 3.41Å; N181-G186 VanDerWaalsContact OD1-O 3.11Å; N181-R187 PolarHBondContact OD1-N 2.86Å; N181-R187 PolarHBondContact OD1-O 2.9Å
182C87.8Confident86.9Confident1 Ų164.4 Ų64.41%0.00736%0.356CS..  trans-74.9100.6174.5-168.10000111.1S184 C185 G186 R187 C198 C201 V205C182-S184 PolarHBondContact O-N 2.91Å; C182-S184 PolarHBondContact SG-OG 3.44Å; C182-S184 VanDerWaalsContact SG-OG 3.39Å; C182-C185 PolarHBondContact O-N 2.9Å; C182-C185 VanDerWaalsContact SG-SG 3.63Å; C182-G186 PolarHBondContact O-N 3.27Å; C182-R187 HydrophobicContact CB-CB 4.38Å; C182-R187 WeakPolarHBondContact CB-O 3.5Å; C182-R187 PolarHBondContact N-O 2.64Å; C182-C198 HydrophobicContact CB-CB 4.29Å; C182-C198 WeakPolarHBondContact SG-CB 3.42Å; C182-C201 PolarHBondContact SG-SG 2.86Å; C182-V205 HydrophobicContact CB-CG2 3.63Å; C182-V205 VanDerWaalsContact SG-CG2 3.55Å
183L86.1Confident87Confident158 Ų15859.7 Ų59.783%0.82733%0.331SS*.THydrogen-bonded Turntrans-56.9-17.7-171.7-58.9179.5000115.7N181N181-L183 PolarHBondContact O-N 3.06Å; N181-L183 VanDerWaalsContact O-N 3.16Å
184S84.4Confident87.3Confident75 Ų7558.9 Ų58.952%0.52433%0.326SS..THydrogen-bonded Turntrans-92.8-20.2178.751.80000115.1C182 C201 S203C182-S184 PolarHBondContact O-N 2.91Å; C182-S184 PolarHBondContact SG-OG 3.44Å; C182-S184 VanDerWaalsContact SG-OG 3.39Å; S184-C201 PolarHBondContact OG-SG 3.46Å; S184-C201 VanDerWaalsContact OG-SG 3.38Å; S184-S203 WeakPolarHBondContact OG-CB 3.29Å; S184-S203 PolarHBondContact OG-OG 3.48Å
185C87.3Confident87.5Confident45 Ų4551.9 Ų51.930%0.30430%0.295SS..THydrogen-bonded Turntrans-139.2-2.9-174.373.70000115.1C182 R187 F200 C201C182-C185 PolarHBondContact O-N 2.9Å; C182-C185 VanDerWaalsContact SG-SG 3.63Å; C185-R187 PolarHBondContact O-N 3.18Å; C185-F200 HydrophobicContact CB-CD1 3.84Å; C185-F200 HydrophobicContact CB-CE1 4.13Å; C185-C201 HydrophobicContact CB-CB 4.21Å; C185-C201 PolarHBondContact SG-SG 2.97Å
186G86.9Confident87.8Confident48 Ų4844.4 Ų44.450%0.49526%0.263SS..  trans72.95.4179.500000115.6N181 C182 I188N181-G186 VanDerWaalsContact OD1-CA 3.29Å; N181-G186 WeakPolarHBondContact OD1-CA 3.4Å; N181-G186 PolarHBondContact OD1-O 3.41Å; N181-G186 VanDerWaalsContact OD1-O 3.11Å; C182-G186 PolarHBondContact O-N 3.27Å; G186-I188 PolarHBondContact O-N 2.86Å
187R87.4Confident87.9Confident65 Ų6545.4 Ų45.425%0.24527%0.272CS..  trans-71.1122.5177.2-173.3179.8179.896.6-1.1110.8N181 C182 C185 V189 E193N181-R187 PolarHBondContact OD1-N 2.86Å; N181-R187 PolarHBondContact OD1-O 2.9Å; C182-R187 HydrophobicContact CB-CB 4.38Å; C182-R187 WeakPolarHBondContact CB-O 3.5Å; C182-R187 PolarHBondContact N-O 2.64Å; C185-R187 PolarHBondContact O-N 3.18Å; R187-V189 PolarHBondContact O-N 2.9Å; R187-E193 IonicContact CZ-OE1 2.65Å; R187-E193 IonicContact NE-OE1 3.06Å; R187-E193 PolarHBondContact NE-OE1 3.17Å; R187-E193 IonicContact NE-OE2 2.65Å; R187-E193 PolarHBondContact NE-OE2 3.41Å; R187-E193 IonicContact NH2-OE1 3.66Å; R187-E193 PolarHBondContact NH2-OE1 3.24Å
188I90.4Very high88Confident59 Ų5942.7 Ų42.730%0.30325%0.249SC..EExtended strand (participates in β ladder)trans-73.4115.4171.7-57.7177.8000109.1A173 L178 G186A173-I188 HydrophobicContact CB-CG2 3.88Å; L178-I188 HydrophobicContact CD1-CG2 3.48Å; L178-I188 VanDerWaalsContact CD1-CG2 3.48Å; G186-I188 PolarHBondContact O-N 2.86Å
189V88.6Confident87.8Confident4 Ų442 Ų422%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-96.4132179.6-179.40000109.6I179 N180 R187 E193 V205I179-V189 PolarHBondContact N-O 2.94Å; N180-V189 PolarHBondContact N-O 3.45Å; N180-V189 PolarHBondContact O-N 3.2Å; R187-V189 PolarHBondContact O-N 2.9Å; V189-E193 HydrophobicContact CG1-CB 3.79Å; V189-V205 HydrophobicContact CB-CG1 4.03Å; V189-V205 HydrophobicContact CG1-CG1 4.49Å; V189-V205 HydrophobicContact CG2-CB 4.17Å; V189-V205 HydrophobicContact CG2-CG1 3.88Å; V189-V205 HydrophobicContact CG2-CG2 4.07Å
190C90.3Very high87.7Confident1 Ų148.1 Ų48.11%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-116.9172-178.375.20000112.6A173 H176 A177 Q192 E193 G194A173-C190 HydrophobicContact CB-CB 4.46Å; H176-C190 HydrophobicContact CB-CB 3.96Å; A177-C190 CarbonylContact O-C 3.57Å; A177-C190 VanDerWaalsContact O-CA 3.24Å; A177-C190 WeakPolarHBondContact O-CA 3.31Å; A177-C190 WeakPolarHBondContact O-CB 3.48Å; C190-Q192 PolarHBondContact O-N 3.43Å; C190-Q192 VanDerWaalsContact O-N 3.08Å; C190-E193 PolarHBondContact O-N 3.05Å; C190-G194 PolarHBondContact O-N 3.21Å
191D88.3Confident87.4Confident81 Ų8148.4 Ų48.443%0.43328%0.277SS..THydrogen-bonded Turntrans-54.1-32.1-173.6-153.531.3000114.4H176 A177 E193 G194H176-D191 HydrophobicContact CB-CB 4.25Å; A177-D191 HydrophobicContact CB-CB 4.33Å; A177-D191 PolarHBondContact O-N 3.27Å; D191-E193 PolarHBondContact O-N 2.92Å; D191-G194 PolarHBondContact O-N 3.01Å
192Q87.3Confident87Confident12 Ų1247.1 Ų47.16%0.05628%0.28CS..THydrogen-bonded Turntrans-71.1-26.6176.2-176.862.495.500114.2L162 L163 G165 H167 C169 C190L162-Q192 HydrophobicContact CD2-CB 3.94Å; L163-Q192 PolarHBondContact O-NE2 3.29Å; G165-Q192 PolarHBondContact O-NE2 3.42Å; H167-Q192 HydrophobicContact CB-CG 4.34Å; H167-Q192 PolarHBondContact N-O 3.05Å; H167-Q192 VanDerWaalsContact N-O 3.13Å; C169-Q192 HydrophobicContact CB-CB 3.98Å; C169-Q192 HydrophobicContact CB-CG 4.02Å; C190-Q192 PolarHBondContact O-N 3.43Å; C190-Q192 VanDerWaalsContact O-N 3.08Å
193E87.9Confident86.9Confident6 Ų649.1 Ų49.13%0.02829%0.294CS..THydrogen-bonded Turntrans-85.6-32.1173.6-61-164.5152.100111.3R166 H167 C169 R187 V189 C190 D191 L199R166-E193 WeakPolarHBondContact CG-O 3.24Å; R166-E193 PolarHBondContact NH1-O 2.94Å; H167-E193 WeakPolarHBondContact O-CG 3.27Å; C169-E193 HydrophobicContact CB-CG 3.91Å; C169-E193 PolarHBondContact N-OE1 2.97Å; R187-E193 IonicContact CZ-OE1 2.65Å; R187-E193 IonicContact NE-OE1 3.06Å; R187-E193 PolarHBondContact NE-OE1 3.17Å; R187-E193 IonicContact NE-OE2 2.65Å; R187-E193 PolarHBondContact NE-OE2 3.41Å; R187-E193 IonicContact NH2-OE1 3.66Å; R187-E193 PolarHBondContact NH2-OE1 3.24Å; V189-E193 HydrophobicContact CG1-CB 3.79Å; C190-E193 PolarHBondContact O-N 3.05Å; D191-E193 PolarHBondContact O-N 2.92Å; E193-L199 HydrophobicContact CB-CD1 4.26Å; E193-L199 HydrophobicContact CG-CD1 4.04Å
194G87.5Confident87Confident14 Ų1444.3 Ų44.314%0.14427%0.268CS..  trans75.7173.8175.100000114.8R166 C190 D191 G196R166-G194 PolarHBondContact NH1-O 2.85Å; R166-G194 VanDerWaalsContact NH1-O 3.08Å; C190-G194 PolarHBondContact O-N 3.21Å; D191-G194 PolarHBondContact O-N 3.01Å; G194-G196 PolarHBondContact O-N 3.35Å
195S87.9Confident87.2Confident17 Ų1741 Ų4112%0.11925%0.245CC..SBendtrans-77.4100.7177.5500000113.3R166 V205 E210R166-S195 VanDerWaalsContact CZ-O 3.3Å; R166-S195 PolarHBondContact NH1-O 2.83Å; R166-S195 PolarHBondContact NH2-O 3.33Å; S195-V205 CarbonylContact C-O 3.57Å; S195-V205 VanDerWaalsContact C-O 3.25Å; S195-V205 VanDerWaalsContact CA-O 3.25Å; S195-V205 WeakPolarHBondContact CA-O 3.22Å; S195-E210 WeakPolarHBondContact CB-OE1 3.3Å; S195-E210 WeakPolarHBondContact CB-OE2 3.37Å; S195-E210 PolarHBondContact OG-OE1 3.45Å; S195-E210 PolarHBondContact OG-OE2 3.46Å
196G87Confident87.2Confident2 Ų239.2 Ų39.22%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-172.4-168.8-174.100000113.7G194 C198 V205G194-G196 PolarHBondContact O-N 3.35Å; G196-C198 PolarHBondContact O-N 3.1Å; G196-V205 PolarHBondContact N-O 3.39Å; G196-V205 PolarHBondContact O-N 2.92Å
197P88.9Confident87.3Confident52 Ų5239 Ų3934%0.33822%0.223SC..EExtended strand (participates in β ladder)trans-59127.6171.725.6-34.5000110.3L199 G202 L228P197-L199 PolarHBondContact O-N 3.34Å; P197-G202 VanDerWaalsContact CB-O 3.25Å; P197-G202 WeakPolarHBondContact CB-O 3.27Å; P197-L228 WeakPolarHBondContact CD-O 3.4Å
198C87.8Confident87.2Confident7 Ų744.7 Ų44.75%0.04724%0.244CC..  trans-59.4127.1-179.2178.20000110.9C182 G196 F200 C201 G202 S203 V205C182-C198 HydrophobicContact CB-CB 4.29Å; C182-C198 WeakPolarHBondContact SG-CB 3.42Å; G196-C198 PolarHBondContact O-N 3.1Å; C198-F200 PolarHBondContact O-N 3.22Å; C198-C201 PolarHBondContact O-N 2.85Å; C198-C201 VanDerWaalsContact O-N 3.12Å; C198-G202 WeakPolarHBondContact O-CA 3.47Å; C198-G202 PolarHBondContact O-N 2.65Å; C198-S203 WeakPolarHBondContact CB-O 3.44Å; C198-S203 PolarHBondContact N-O 3.5Å; C198-V205 HydrophobicContact CB-CG2 3.96Å
199L85Confident86.8Confident97 Ų9748.7 Ų48.751%0.50826%0.261SS..THydrogen-bonded Turntrans-62.1-7.2-177.6-64.8171.3000114.8A168 E193 P197A168-L199 HydrophobicContact CB-CD1 3.95Å; E193-L199 HydrophobicContact CB-CD1 4.26Å; E193-L199 HydrophobicContact CG-CD1 4.04Å; P197-L199 PolarHBondContact O-N 3.34Å
200F84.1Confident86.6Confident153 Ų15349.9 Ų49.967%0.67127%0.267SS*.THydrogen-bonded Turntrans-102.1-35.4174.1-179.5-103.8000114.2C185 C198C185-F200 HydrophobicContact CB-CD1 3.84Å; C185-F200 HydrophobicContact CB-CE1 4.13Å; C198-F200 PolarHBondContact O-N 3.22Å
201C85.1Confident86.3Confident50 Ų5052.9 Ų52.934%0.33828%0.28SS..THydrogen-bonded Turntrans-138.58-168.669.80000115.3C182 S184 C185 C198 S203C182-C201 PolarHBondContact SG-SG 2.86Å; S184-C201 PolarHBondContact OG-SG 3.46Å; S184-C201 VanDerWaalsContact OG-SG 3.38Å; C185-C201 HydrophobicContact CB-CB 4.21Å; C185-C201 PolarHBondContact SG-SG 2.97Å; C198-C201 PolarHBondContact O-N 2.85Å; C198-C201 VanDerWaalsContact O-N 3.12Å; C201-S203 PolarHBondContact O-N 2.96Å
202G81.9Confident86.2Confident42 Ų4252.2 Ų52.243%0.43328%0.275SS..  trans67.7-10.5178.700000116.4P197 C198P197-G202 VanDerWaalsContact CB-O 3.25Å; P197-G202 WeakPolarHBondContact CB-O 3.27Å; C198-G202 WeakPolarHBondContact O-CA 3.47Å; C198-G202 PolarHBondContact O-N 2.65Å
203S84.8Confident86Confident43 Ų4354.8 Ų54.830%0.30129%0.288SS..  trans-65.2135-178.3-60.90000111.3S184 C198 C201 V205S184-S203 WeakPolarHBondContact OG-CB 3.29Å; S184-S203 PolarHBondContact OG-OG 3.48Å; C198-S203 WeakPolarHBondContact CB-O 3.44Å; C198-S203 PolarHBondContact N-O 3.5Å; C201-S203 PolarHBondContact O-N 2.96Å; S203-V205 PolarHBondContact O-N 3.28Å
204L87.5Confident85.7Confident57 Ų5756 Ų5630%0.29830%0.295SS..EExtended strand (participates in β ladder)trans-68.8120.9-175.7179.758.3000112L214 L228 M229L204-L214 HydrophobicContact CD2-CD1 4.07Å; L204-L228 HydrophobicContact CD1-CB 4.07Å; L204-M229 HydrophobicContact CB-SD 3.84Å; L204-M229 HydrophobicContact CD1-SD 3.96Å; L204-M229 HydrophobicContact CD2-SD 4.03Å; L204-M229 HydrophobicContact CG-SD 4.15Å
205V88.9Confident85.5Confident6 Ų661.9 Ų61.94%0.03632%0.318CS..EExtended strand (participates in β ladder)trans-115.7119.8176.7-171.80000109.3N180 C182 V189 S195 G196 C198 S203N180-V205 HydrophobicContact CB-CG1 3.68Å; C182-V205 HydrophobicContact CB-CG2 3.63Å; C182-V205 VanDerWaalsContact SG-CG2 3.55Å; V189-V205 HydrophobicContact CB-CG1 4.03Å; V189-V205 HydrophobicContact CG1-CG1 4.49Å; V189-V205 HydrophobicContact CG2-CB 4.17Å; V189-V205 HydrophobicContact CG2-CG1 3.88Å; V189-V205 HydrophobicContact CG2-CG2 4.07Å; S195-V205 CarbonylContact C-O 3.57Å; S195-V205 VanDerWaalsContact C-O 3.25Å; S195-V205 VanDerWaalsContact CA-O 3.25Å; S195-V205 WeakPolarHBondContact CA-O 3.22Å; G196-V205 PolarHBondContact N-O 3.39Å; G196-V205 PolarHBondContact O-N 2.92Å; C198-V205 HydrophobicContact CB-CG2 3.96Å; S203-V205 PolarHBondContact O-N 3.28Å
206C87.7Confident85.3Confident8 Ų868.7 Ų68.75%0.05434%0.342CS..  trans-120.6157.8-175.9-67.40000111.6N180 E210 Q211 L214N180-C206 WeakPolarHBondContact CB-O 3.46Å; N180-C206 PolarHBondContact ND2-O 3.1Å; C206-E210 HydrophobicContact CB-CB 3.85Å; C206-Q211 HydrophobicContact CB-CB 4.38Å; C206-L214 HydrophobicContact CB-CD1 4.34Å; C206-L214 WeakPolarHBondContact SG-CD1 3.43Å
207T88.9Confident84.8Confident44 Ų4474.3 Ų74.327%0.2737%0.371SS..  trans-60.9159.7162.962.80000110.1I179 E209 E210 Q211I179-T207 HydrophobicContact CG2-CG2 4Å; T207-E209 PolarHBondContact O-N 3.33Å; T207-E210 VanDerWaalsContact CB-OE2 3.31Å; T207-E210 WeakPolarHBondContact CB-OE2 3.48Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.39Å; T207-E210 PolarHBondContact N-OE2 3.29Å; T207-E210 PolarHBondContact O-N 3.14Å; T207-E210 WeakPolarHBondContact OG1-CB 3.46Å; T207-E210 VanDerWaalsContact OG1-CD 3.25Å; T207-E210 VanDerWaalsContact OG1-CG 3.27Å; T207-E210 WeakPolarHBondContact OG1-CG 3.28Å; T207-E210 PolarHBondContact OG1-N 3.42Å; T207-E210 PolarHBondContact OG1-OE2 3.38Å; T207-Q211 VanDerWaalsContact O-CB 3.32Å; T207-Q211 WeakPolarHBondContact O-CB 3.26Å; T207-Q211 PolarHBondContact O-N 2.89Å
208R84.6Confident84.8Confident183 Ų18374.6 Ų74.669%0.69137%0.374SS*.Hα-helixtrans-57.3-38.4179.4-167.3179.372.6-165.8-2.2112.5Q211 E212R208-Q211 PolarHBondContact O-N 3.18Å; R208-E212 WeakPolarHBondContact O-CG 3.43Å; R208-E212 PolarHBondContact O-N 2.9Å
209E83.4Confident84.4Confident143 Ų14380.1 Ų80.167%0.66840%0.403SS*.Hα-helixtrans-68.6-44.3-179.4-65170.1-155.400111.9T207 Q211 E212 I213T207-E209 PolarHBondContact O-N 3.33Å; E209-Q211 VanDerWaalsContact C-N 3.32Å; E209-E212 PolarHBondContact O-N 3.4Å; E209-I213 WeakPolarHBondContact O-CD1 3.31Å; E209-I213 VanDerWaalsContact O-CG1 3.3Å; E209-I213 WeakPolarHBondContact O-CG1 3.45Å; E209-I213 PolarHBondContact O-N 2.7Å; E209-I213 VanDerWaalsContact O-N 3.09Å
210E84.5Confident84.3Confident30 Ų3083.5 Ų83.514%0.1441%0.414CS..Hα-helixtrans-63.9-37.8171.4-70.1164.5131.500111.6S195 C206 T207 I213 L214 L224 L228S195-E210 WeakPolarHBondContact CB-OE1 3.3Å; S195-E210 WeakPolarHBondContact CB-OE2 3.37Å; S195-E210 PolarHBondContact OG-OE1 3.45Å; S195-E210 PolarHBondContact OG-OE2 3.46Å; C206-E210 HydrophobicContact CB-CB 3.85Å; T207-E210 VanDerWaalsContact CB-OE2 3.31Å; T207-E210 WeakPolarHBondContact CB-OE2 3.48Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.39Å; T207-E210 PolarHBondContact N-OE2 3.29Å; T207-E210 PolarHBondContact O-N 3.14Å; T207-E210 WeakPolarHBondContact OG1-CB 3.46Å; T207-E210 VanDerWaalsContact OG1-CD 3.25Å; T207-E210 VanDerWaalsContact OG1-CG 3.27Å; T207-E210 WeakPolarHBondContact OG1-CG 3.28Å; T207-E210 PolarHBondContact OG1-N 3.42Å; T207-E210 PolarHBondContact OG1-OE2 3.38Å; E210-I213 PolarHBondContact O-N 3.06Å; E210-L214 VanDerWaalsContact O-CG 3.3Å; E210-L214 WeakPolarHBondContact O-CG 3.34Å; E210-L214 PolarHBondContact O-N 2.95Å; E210-L224 HydrophobicContact CB-CD2 4.07Å; E210-L224 HydrophobicContact CG-CD2 4.17Å; E210-L228 HydrophobicContact CG-CD1 4.46Å
211Q84.1Confident84.2Confident63 Ų6376.3 Ų76.329%0.29438%0.383SS..Hα-helixtrans-66.5-41.4178.6-172.5174.43.300111.9N180 C206 T207 R208 E209 I213 L214 Q215N180-Q211 PolarHBondContact ND2-OE1 3.12Å; C206-Q211 HydrophobicContact CB-CB 4.38Å; T207-Q211 VanDerWaalsContact O-CB 3.32Å; T207-Q211 WeakPolarHBondContact O-CB 3.26Å; T207-Q211 PolarHBondContact O-N 2.89Å; R208-Q211 PolarHBondContact O-N 3.18Å; E209-Q211 VanDerWaalsContact C-N 3.32Å; Q211-I213 VanDerWaalsContact C-N 3.31Å; Q211-I213 PolarHBondContact O-N 3.49Å; Q211-L214 PolarHBondContact O-N 3.01Å; Q211-Q215 WeakPolarHBondContact O-CG 3.42Å; Q211-Q215 PolarHBondContact O-N 3.32Å
212E84.7Confident83.8Confident67 Ų6779.2 Ų79.231%0.31339%0.391SS..Hα-helixtrans-62.3-36.6170.4-78.5-178.5-135.200112.5R208 E209 R216R208-E212 WeakPolarHBondContact O-CG 3.43Å; R208-E212 PolarHBondContact O-N 2.9Å; E209-E212 PolarHBondContact O-N 3.4Å; E212-R216 VanDerWaalsContact O-CD 3.3Å; E212-R216 WeakPolarHBondContact O-CD 3.3Å; E212-R216 VanDerWaalsContact O-CG 3.24Å; E212-R216 WeakPolarHBondContact O-CG 3.42Å; E212-R216 PolarHBondContact O-N 3.37Å; E212-R216 IonicContact OE2-CZ 3.64Å; E212-R216 IonicContact OE2-NH1 3.71Å; E212-R216 IonicContact OE2-NH2 2.75Å; E212-R216 PolarHBondContact OE2-NH2 2.95Å
213I83.6Confident83.9Confident67 Ų6785 Ų8534%0.34440%0.404SS..Hα-helixtrans-68.1-39.3174.6-68.5163.4000110.5E209 E210 Q211 R216 S221 L224E209-I213 WeakPolarHBondContact O-CD1 3.31Å; E209-I213 VanDerWaalsContact O-CG1 3.3Å; E209-I213 WeakPolarHBondContact O-CG1 3.45Å; E209-I213 PolarHBondContact O-N 2.7Å; E209-I213 VanDerWaalsContact O-N 3.09Å; E210-I213 PolarHBondContact O-N 3.06Å; Q211-I213 VanDerWaalsContact C-N 3.31Å; Q211-I213 PolarHBondContact O-N 3.49Å; I213-R216 PolarHBondContact O-N 2.91Å; I213-S221 WeakPolarHBondContact O-CB 3.45Å; I213-L224 HydrophobicContact CB-CD2 4.08Å; I213-L224 HydrophobicContact CG2-CD2 3.73Å
214L82.1Confident83.7Confident31 Ų3184.6 Ų84.616%0.16240%0.399CS..Hα-helixtrans-63.1-47.5175.5-72.5169.2000112L204 C206 E210 Q211 R216 D217 R225L204-L214 HydrophobicContact CD2-CD1 4.07Å; C206-L214 HydrophobicContact CB-CD1 4.34Å; C206-L214 WeakPolarHBondContact SG-CD1 3.43Å; E210-L214 VanDerWaalsContact O-CG 3.3Å; E210-L214 WeakPolarHBondContact O-CG 3.34Å; E210-L214 PolarHBondContact O-N 2.95Å; Q211-L214 PolarHBondContact O-N 3.01Å; L214-R216 PolarHBondContact O-N 2.88Å; L214-R216 VanDerWaalsContact O-N 3.07Å; L214-D217 PolarHBondContact O-N 3.33Å; L214-R225 HydrophobicContact CD2-CB 3.77Å; L214-R225 HydrophobicContact CD2-CG 4.39Å
215Q81.9Confident83.4Confident137 Ų13789.1 Ų89.164%0.6441%0.412SS*.THydrogen-bonded Turntrans-61.5-14.3177.9-74.5172.7-13.800114.9Q211Q211-Q215 WeakPolarHBondContact O-CG 3.42Å; Q211-Q215 PolarHBondContact O-N 3.32Å
216R85.1Confident82.9Confident161 Ų16196.9 Ų96.961%0.60845%0.445SS*.THydrogen-bonded Turntrans-91-0.2179.5-70.6166.4-173.4141.210.2113.7E212 I213 L214 S218E212-R216 VanDerWaalsContact O-CD 3.3Å; E212-R216 WeakPolarHBondContact O-CD 3.3Å; E212-R216 VanDerWaalsContact O-CG 3.24Å; E212-R216 WeakPolarHBondContact O-CG 3.42Å; E212-R216 PolarHBondContact O-N 3.37Å; E212-R216 IonicContact OE2-CZ 3.64Å; E212-R216 IonicContact OE2-NH1 3.71Å; E212-R216 IonicContact OE2-NH2 2.75Å; E212-R216 PolarHBondContact OE2-NH2 2.95Å; I213-R216 PolarHBondContact O-N 2.91Å; L214-R216 PolarHBondContact O-N 2.88Å; L214-R216 VanDerWaalsContact O-N 3.07Å; R216-S218 PolarHBondContact O-N 3.43Å
217D75.6Confident82.6Confident120 Ų120104.8 Ų104.864%0.64248%0.479SS*.  trans43.420.5174.6-83.4-40.8000118.4L214 S221L214-D217 PolarHBondContact O-N 3.33Å; D217-S221 VanDerWaalsContact CA-OG 3.32Å; D217-S221 WeakPolarHBondContact CA-OG 3.45Å
218S88.8Confident82.2Confident57 Ų57103.5 Ų103.540%0.39947%0.47SS..  trans-71.3162179.8-176.60000112.5R216 K220 S221 Q222R216-S218 PolarHBondContact O-N 3.43Å; S218-K220 PolarHBondContact O-N 3.42Å; S218-S221 PolarHBondContact N-OG 3.12Å; S218-S221 WeakPolarHBondContact O-CA 3.33Å; S218-S221 WeakPolarHBondContact O-CB 3.08Å; S218-S221 PolarHBondContact O-N 2.94Å; S218-S221 PolarHBondContact O-OG 3.15Å; S218-Q222 PolarHBondContact O-N 2.89Å; S218-Q222 VanDerWaalsContact O-N 3.12Å
219N80.4Confident81.7Confident123 Ų12398.6 Ų98.666%0.65846%0.456SS*.Hα-helixtrans-52.3-22166.6-74.9-35.9000113.8K223N219-K223 WeakPolarHBondContact O-CG 3.23Å
220K81.9Confident80.5Confident168 Ų16893.7 Ų93.773%0.7344%0.444SS*.Hα-helixtrans-73.5-39.2169.4-67.9-179.2178.9178.20112.7S218 L224S218-K220 PolarHBondContact O-N 3.42Å; K220-L224 PolarHBondContact O-N 3.34Å
221S82Confident78.8Confident3 Ų3100.1 Ų100.12%0.02148%0.479CS..Hα-helixtrans-68.3-42179.691.20000111.7I213 D217 S218 K223 L224 R225I213-S221 WeakPolarHBondContact O-CB 3.45Å; D217-S221 VanDerWaalsContact CA-OG 3.32Å; D217-S221 WeakPolarHBondContact CA-OG 3.45Å; S218-S221 PolarHBondContact N-OG 3.12Å; S218-S221 WeakPolarHBondContact O-CA 3.33Å; S218-S221 WeakPolarHBondContact O-CB 3.08Å; S218-S221 PolarHBondContact O-N 2.94Å; S218-S221 PolarHBondContact O-OG 3.15Å; S221-K223 VanDerWaalsContact C-N 3.34Å; S221-K223 PolarHBondContact O-N 3.41Å; S221-L224 WeakPolarHBondContact O-CB 3.38Å; S221-L224 PolarHBondContact O-N 3.46Å; S221-R225 WeakPolarHBondContact O-CB 3.44Å; S221-R225 PolarHBondContact O-N 2.8Å
222Q77.9Confident76.8Confident110 Ų110101.2 Ų101.251%0.51450%0.499SS..Hα-helixtrans-64.2-39.7178.2-61.9-173.58.700111.8S218 R225 K226S218-Q222 PolarHBondContact O-N 2.89Å; S218-Q222 VanDerWaalsContact O-N 3.12Å; Q222-R225 PolarHBondContact O-N 3.34Å; Q222-K226 WeakPolarHBondContact O-CG 3.44Å; Q222-K226 PolarHBondContact O-N 2.97Å
223K82.9Confident74.7Confident163 Ų163100.2 Ų100.271%0.70951%0.507SS*.Hα-helixtrans-65.2-39.8173.2-73.2180179.3-173.60112.1N219 S221 K227N219-K223 WeakPolarHBondContact O-CG 3.23Å; S221-K223 VanDerWaalsContact C-N 3.34Å; S221-K223 PolarHBondContact O-N 3.41Å; K223-K227 WeakPolarHBondContact O-CB 3.48Å; K223-K227 PolarHBondContact O-N 3.23Å; K223-K227 VanDerWaalsContact O-N 3.11Å
224L81.9Confident72.8Confident36 Ų36105.9 Ų105.919%0.18853%0.532CS..Hα-helixtrans-63.8-48.9173.7-177.762.6000111.3E210 I213 K220 S221 K226 K227 L228E210-L224 HydrophobicContact CB-CD2 4.07Å; E210-L224 HydrophobicContact CG-CD2 4.17Å; I213-L224 HydrophobicContact CB-CD2 4.08Å; I213-L224 HydrophobicContact CG2-CD2 3.73Å; K220-L224 PolarHBondContact O-N 3.34Å; S221-L224 WeakPolarHBondContact O-CB 3.38Å; S221-L224 PolarHBondContact O-N 3.46Å; L224-K226 PolarHBondContact O-N 2.84Å; L224-K227 CarbonylContact O-C 3.45Å; L224-K227 WeakPolarHBondContact O-CA 3.38Å; L224-K227 WeakPolarHBondContact O-CB 3.24Å; L224-K227 PolarHBondContact O-N 3.41Å; L224-L228 HydrophobicContact CD1-CD1 3.86Å; L224-L228 HydrophobicContact CD1-CD2 4.2Å; L224-L228 HydrophobicContact CD1-CG 3.87Å; L224-L228 HydrophobicContact CD2-CD1 4.41Å; L224-L228 HydrophobicContact CG-CD1 3.82Å; L224-L228 HydrophobicContact CG-CG 4.16Å; L224-L228 WeakPolarHBondContact O-CG 3.4Å; L224-L228 PolarHBondContact O-N 2.91Å
225R80.3Confident71.1Confident151 Ų151115.3 Ų115.357%0.5757%0.565SS**Hα-helixtrans-55.7-46.1177.9-172.2172.9173.1174.6-3.5112L214 S221 Q222 K227 L228 M229L214-R225 HydrophobicContact CD2-CB 3.77Å; L214-R225 HydrophobicContact CD2-CG 4.39Å; S221-R225 WeakPolarHBondContact O-CB 3.44Å; S221-R225 PolarHBondContact O-N 2.8Å; Q222-R225 PolarHBondContact O-N 3.34Å; R225-K227 VanDerWaalsContact C-N 3.32Å; R225-K227 PolarHBondContact O-N 2.92Å; R225-L228 PolarHBondContact O-N 3.13Å; R225-M229 HydrophobicContact CG-CG 4.38Å; R225-M229 WeakPolarHBondContact O-CB 3.26Å; R225-M229 VanDerWaalsContact O-CG 3.32Å; R225-M229 WeakPolarHBondContact O-CG 3.37Å; R225-M229 PolarHBondContact O-N 3.47Å
226K79Confident69.4Low169 Ų169117.2 Ų117.274%0.73557%0.574SS**Hα-helixtrans-62.2-36.6174.1-73.4-173.2174.6-167.20112.6Q222 L224 G230Q222-K226 WeakPolarHBondContact O-CG 3.44Å; Q222-K226 PolarHBondContact O-N 2.97Å; L224-K226 PolarHBondContact O-N 2.84Å; K226-G230 PolarHBondContact O-N 3.36Å
227K81.8Confident68.1Low174 Ų174112.9 Ų112.976%0.75756%0.563SS**Hα-helixtrans-72.3-35.3176.7-169.9178179.1-174.70113.4K223 L224 R225K223-K227 WeakPolarHBondContact O-CB 3.48Å; K223-K227 PolarHBondContact O-N 3.23Å; K223-K227 VanDerWaalsContact O-N 3.11Å; L224-K227 CarbonylContact O-C 3.45Å; L224-K227 WeakPolarHBondContact O-CA 3.38Å; L224-K227 WeakPolarHBondContact O-CB 3.24Å; L224-K227 PolarHBondContact O-N 3.41Å; R225-K227 VanDerWaalsContact C-N 3.32Å; R225-K227 PolarHBondContact O-N 2.92Å
228L78.9Confident67.4Low17 Ų17113.3 Ų113.39%0.08956%0.564CS.*Hα-helixtrans-84.6-32.9-176.7-61.8-177.5000113.6P197 L204 E210 L224 R225 G230P197-L228 WeakPolarHBondContact CD-O 3.4Å; L204-L228 HydrophobicContact CD1-CB 4.07Å; E210-L228 HydrophobicContact CG-CD1 4.46Å; L224-L228 HydrophobicContact CD1-CD1 3.86Å; L224-L228 HydrophobicContact CD1-CD2 4.2Å; L224-L228 HydrophobicContact CD1-CG 3.87Å; L224-L228 HydrophobicContact CD2-CD1 4.41Å; L224-L228 HydrophobicContact CG-CD1 3.82Å; L224-L228 HydrophobicContact CG-CG 4.16Å; L224-L228 WeakPolarHBondContact O-CG 3.4Å; L224-L228 PolarHBondContact O-N 2.91Å; R225-L228 PolarHBondContact O-N 3.13Å; L228-G230 PolarHBondContact O-N 3.46Å
229M74.1Confident66.3Low81 Ų81115.7 Ų115.740%0.39958%0.578SS.*SBendtrans-72.4-12.9169.8-63.9-61.5-68.900112.6L204 R225L204-M229 HydrophobicContact CB-SD 3.84Å; L204-M229 HydrophobicContact CD1-SD 3.96Å; L204-M229 HydrophobicContact CD2-SD 4.03Å; L204-M229 HydrophobicContact CG-SD 4.15Å; R225-M229 HydrophobicContact CG-CG 4.38Å; R225-M229 WeakPolarHBondContact O-CB 3.26Å; R225-M229 VanDerWaalsContact O-CG 3.32Å; R225-M229 WeakPolarHBondContact O-CG 3.37Å; R225-M229 PolarHBondContact O-N 3.47Å
230G58.8Low65.4Low40 Ų40117 Ų11741%0.41258%0.58SS.*  trans76.8173.8-174.300000112.8K226 L228 A232K226-G230 PolarHBondContact O-N 3.36Å; L228-G230 PolarHBondContact O-N 3.46Å; G230-A232 PolarHBondContact O-N 3.41Å
231D48.1Very low64.6Low164 Ų164113.9 Ų113.988%0.87757%0.568SS**  trans-77.270.9166.4-166.314000109.4G233D231-G233 PolarHBondContact O-N 3.24Å
232A42.2Very low64.1Low87 Ų87119 Ų11972%0.71959%0.592SS**  trans-85.334.4169.100000110.8G230G230-A232 PolarHBondContact O-N 3.41Å
233G40.6Very low63.9Low46 Ų46116.6 Ų116.647%0.47459%0.59SS.*SBendtrans-57.9153.9158.200000109.9D231 R235D231-G233 PolarHBondContact O-N 3.24Å; G233-R235 PolarHBondContact O-N 3Å
234E44.8Very low63.7Low186 Ų186115.9 Ų115.987%0.86959%0.587SS**  trans-60.8100.2-173.6-70.2138.3138.300111E236E234-E236 PolarHBondContact O-N 2.88Å
235R45.6Very low63.3Low229 Ų229119.3 Ų119.386%0.86461%0.605SS**  trans-75.679.7165-170.1178.7-167.1168.86.1107.2G233 L237G233-R235 PolarHBondContact O-N 3Å; R235-L237 PolarHBondContact O-N 3.04Å
236E47.8Very low63.5Low177 Ų177119.8 Ų119.883%0.82761%0.611SS**  trans-41.6104.9-179.2-67.5-177.1130.200110.3E234 L238E234-E236 PolarHBondContact O-N 2.88Å; E236-L238 PolarHBondContact O-N 3.03Å
237L57.3Low63.9Low69 Ų69113.7 Ų113.736%0.36159%0.593SS.*  trans-76.2118.4172.9-73.4173.2000106.1R235 Q241 E242 L245R235-L237 PolarHBondContact O-N 3.04Å; L237-Q241 HydrophobicContact CD2-CG 4.41Å; L237-E242 HydrophobicContact CB-CG 3.67Å; L237-E242 HydrophobicContact CD1-CG 4.48Å; L237-L245 HydrophobicContact CD1-CD1 4.13Å
238L60.9Low64.3Low130 Ų130107.4 Ų107.468%0.68158%0.577SS**  trans-47.3132.8177.2-62.7173.3000109.1E236 H240 Q241E236-L238 PolarHBondContact O-N 3.03Å; L238-H240 PolarHBondContact O-N 3.31Å; L238-Q241 WeakPolarHBondContact O-CA 3.32Å; L238-Q241 WeakPolarHBondContact O-CB 3.31Å; L238-Q241 PolarHBondContact O-N 3.27Å
239P64.4Low64.9Low106 Ų106112.1 Ų112.169%0.68860%0.602SS**Hα-helixtrans-52.3-29.9-166.5-33.136.1000115.7Q241 E242 A243P239-Q241 VanDerWaalsContact C-N 3.32Å; P239-Q241 PolarHBondContact O-N 2.93Å; P239-E242 PolarHBondContact O-N 3.19Å; P239-A243 WeakPolarHBondContact O-CB 3.23Å; P239-A243 PolarHBondContact O-N 3.1Å
240H62.8Low65.7Low151 Ų151113.6 Ų113.670%0.69961%0.608SS**Hα-helixtrans-57.9-39.2171.8-178.491.8000113.6L238 K244L238-H240 PolarHBondContact O-N 3.31Å; H240-K244 WeakPolarHBondContact O-CB 3.42Å; H240-K244 PolarHBondContact O-N 3.23Å
241Q65.7Low67.3Low102 Ų102118.6 Ų118.648%0.47762%0.618SS.*Hα-helixtrans-74.4-37-179.4-166.1163.913.200111.7L237 L238 P239 K244 L245L237-Q241 HydrophobicContact CD2-CG 4.41Å; L238-Q241 WeakPolarHBondContact O-CA 3.32Å; L238-Q241 WeakPolarHBondContact O-CB 3.31Å; L238-Q241 PolarHBondContact O-N 3.27Å; P239-Q241 VanDerWaalsContact C-N 3.32Å; P239-Q241 PolarHBondContact O-N 2.93Å; Q241-K244 PolarHBondContact O-N 3.46Å; Q241-L245 WeakPolarHBondContact O-CG 3.18Å; Q241-L245 PolarHBondContact O-N 3Å
242E71.3Confident69.3Low112 Ų112113.6 Ų113.652%0.52360%0.6SS.*Hα-helixtrans-65.2-45.8170-63-156.2138.200111.9L237 P239 K244 L245 K246L237-E242 HydrophobicContact CB-CG 3.67Å; L237-E242 HydrophobicContact CD1-CG 4.48Å; P239-E242 PolarHBondContact O-N 3.19Å; E242-K244 VanDerWaalsContact C-N 3.26Å; E242-K244 PolarHBondContact O-N 3.19Å; E242-L245 PolarHBondContact O-N 3.05Å; E242-L245 VanDerWaalsContact O-N 3.12Å; E242-K246 WeakPolarHBondContact O-CB 3.49Å; E242-K246 PolarHBondContact O-N 2.96Å
243A73.4Confident71.8Confident58 Ų58112.4 Ų112.448%0.47958%0.583SS.*Hα-helixtrans-57-41175.700000111.6P239 K246 A247P239-A243 WeakPolarHBondContact O-CB 3.23Å; P239-A243 PolarHBondContact O-N 3.1Å; A243-K246 PolarHBondContact O-N 3.48Å; A243-A247 WeakPolarHBondContact O-CB 3.18Å; A243-A247 PolarHBondContact O-N 2.82Å
244K78.3Confident74.2Confident149 Ų149115.4 Ų115.465%0.64859%0.585SS**Hα-helixtrans-66.6-38.7176-168.1171.4-172.5169.10113H240 Q241 E242 G248H240-K244 WeakPolarHBondContact O-CB 3.42Å; H240-K244 PolarHBondContact O-N 3.23Å; Q241-K244 PolarHBondContact O-N 3.46Å; E242-K244 VanDerWaalsContact C-N 3.26Å; E242-K244 PolarHBondContact O-N 3.19Å; K244-G248 PolarHBondContact O-N 3.39Å
245L74.5Confident76.4Confident108 Ų108112.2 Ų112.257%0.56557%0.57SS**Hα-helixtrans-68.1-43173.9-73.6168.1000111.6L237 Q241 E242 G248 L249L237-L245 HydrophobicContact CD1-CD1 4.13Å; Q241-L245 WeakPolarHBondContact O-CG 3.18Å; Q241-L245 PolarHBondContact O-N 3Å; E242-L245 PolarHBondContact O-N 3.05Å; E242-L245 VanDerWaalsContact O-N 3.12Å; L245-G248 PolarHBondContact O-N 3.03Å; L245-L249 WeakPolarHBondContact O-CB 3.35Å; L245-L249 PolarHBondContact O-N 3.06Å
246K84.4Confident78.7Confident160 Ų160106 Ų10670%0.69655%0.549SS*.Hα-helixtrans-62.8-46.2177.8-169.9174.5-178.91790111.8E242 A243 G248 L249 E250E242-K246 WeakPolarHBondContact O-CB 3.49Å; E242-K246 PolarHBondContact O-N 2.96Å; A243-K246 PolarHBondContact O-N 3.48Å; K246-G248 VanDerWaalsContact C-N 3.29Å; K246-G248 PolarHBondContact O-N 2.99Å; K246-L249 PolarHBondContact O-N 2.93Å; K246-E250 WeakPolarHBondContact O-CB 3.47Å; K246-E250 PolarHBondContact O-N 3.43Å
247A86.9Confident80.9Confident42 Ų42100.8 Ų100.835%0.34753%0.527SS..Hα-helixtrans-66.5-28.5173.900000113.1A243 K251A243-A247 WeakPolarHBondContact O-CB 3.18Å; A243-A247 PolarHBondContact O-N 2.82Å; A247-K251 VanDerWaalsContact O-CG 3.31Å; A247-K251 WeakPolarHBondContact O-CG 3.29Å; A247-K251 PolarHBondContact O-N 2.9Å
248G89.4Confident82.6Confident41 Ų41103.2 Ų103.242%0.42353%0.534SS..Hα-helixtrans-69.3-45170.900000112.6K244 L245 K246 K251 A252K244-G248 PolarHBondContact O-N 3.39Å; L245-G248 PolarHBondContact O-N 3.03Å; K246-G248 VanDerWaalsContact C-N 3.29Å; K246-G248 PolarHBondContact O-N 2.99Å; G248-K251 PolarHBondContact O-N 3.38Å; G248-A252 PolarHBondContact O-N 3.06Å
249L91.4Very high83.9Confident117 Ų117101.6 Ų101.661%0.61353%0.526SS*.Hα-helixtrans-62.1-45.1175.8178.362.4000111.5L245 K246 K251 A252 V253L245-L249 WeakPolarHBondContact O-CB 3.35Å; L245-L249 PolarHBondContact O-N 3.06Å; K246-L249 PolarHBondContact O-N 2.93Å; L249-K251 PolarHBondContact O-N 3.37Å; L249-A252 WeakPolarHBondContact O-CB 3.49Å; L249-A252 PolarHBondContact O-N 3.47Å; L249-A252 VanDerWaalsContact O-N 3.12Å; L249-V253 HydrophobicContact CD1-CG2 4.48Å; L249-V253 WeakPolarHBondContact O-CG2 3.37Å; L249-V253 PolarHBondContact O-N 2.68Å
250E92.2Very high85.1Confident111 Ų111101.1 Ų101.152%0.51952%0.517SS..Hα-helixtrans-59.7-45.7178.4-167.1-173.6156.800111.7K246 A252 V253 Q254K246-E250 WeakPolarHBondContact O-CB 3.47Å; K246-E250 PolarHBondContact O-N 3.43Å; E250-A252 VanDerWaalsContact C-N 3.3Å; E250-A252 PolarHBondContact O-N 2.96Å; E250-V253 PolarHBondContact O-N 3.36Å; E250-Q254 WeakPolarHBondContact O-CG 3.42Å; E250-Q254 PolarHBondContact O-N 2.83Å; E250-Q254 PolarHBondContact OE1-NE2 3.3Å; E250-Q254 VanDerWaalsContact OE1-NE2 3.14Å
251K91.4Very high86.2Confident145 Ų14599.9 Ų99.963%0.6351%0.512SS*.Hα-helixtrans-62.5-35.3174.6-72.5172.8-177.5179.80112.6A247 G248 L249 H255A247-K251 VanDerWaalsContact O-CG 3.31Å; A247-K251 WeakPolarHBondContact O-CG 3.29Å; A247-K251 PolarHBondContact O-N 2.9Å; G248-K251 PolarHBondContact O-N 3.38Å; L249-K251 PolarHBondContact O-N 3.37Å; K251-H255 WeakPolarHBondContact O-CB 3.47Å; K251-H255 PolarHBondContact O-N 2.95Å
252A90.1Very high87Confident59 Ų59100.5 Ų100.549%0.48851%0.513SS..Hα-helixtrans-68.6-38.2174.600000112.4G248 L249 E250 H255 K256G248-A252 PolarHBondContact O-N 3.06Å; L249-A252 WeakPolarHBondContact O-CB 3.49Å; L249-A252 PolarHBondContact O-N 3.47Å; L249-A252 VanDerWaalsContact O-N 3.12Å; E250-A252 VanDerWaalsContact C-N 3.3Å; E250-A252 PolarHBondContact O-N 2.96Å; A252-H255 PolarHBondContact O-N 3.49Å; A252-K256 WeakPolarHBondContact O-CB 3.36Å; A252-K256 PolarHBondContact O-N 3.27Å
253V94.1Very high87.4Confident62 Ų62101 Ų10138%0.37652%0.519SS..Hα-helixtrans-65.3-51.3174172.30000110.6L249 E250 H255 K256 D257L249-V253 HydrophobicContact CD1-CG2 4.48Å; L249-V253 WeakPolarHBondContact O-CG2 3.37Å; L249-V253 PolarHBondContact O-N 2.68Å; E250-V253 PolarHBondContact O-N 3.36Å; V253-H255 VanDerWaalsContact C-N 3.26Å; V253-H255 PolarHBondContact O-N 3.08Å; V253-K256 WeakPolarHBondContact O-CA 3.18Å; V253-K256 WeakPolarHBondContact O-CB 3.39Å; V253-K256 PolarHBondContact O-N 3.06Å; V253-D257 VanDerWaalsContact CG1-OD2 3.3Å; V253-D257 WeakPolarHBondContact CG1-OD2 3.49Å; V253-D257 PolarHBondContact O-N 3.22Å
254Q91.6Very high87.9Confident109 Ų109108.2 Ų108.251%0.50953%0.534SS..Hα-helixtrans-55.1-40.4175.7-69.1171.76.400112.1E250 K258E250-Q254 WeakPolarHBondContact O-CG 3.42Å; E250-Q254 PolarHBondContact O-N 2.83Å; E250-Q254 PolarHBondContact OE1-NE2 3.3Å; E250-Q254 VanDerWaalsContact OE1-NE2 3.14Å; Q254-K258 WeakPolarHBondContact O-CB 3.41Å; Q254-K258 PolarHBondContact O-N 3.44Å
255H90.1Very high87.7Confident119 Ų119103.8 Ų103.855%0.55152%0.517SS*.Hα-helixtrans-68.3-40175.8-171-90.7000112.8K251 A252 V253 L259K251-H255 WeakPolarHBondContact O-CB 3.47Å; K251-H255 PolarHBondContact O-N 2.95Å; A252-H255 PolarHBondContact O-N 3.49Å; V253-H255 VanDerWaalsContact C-N 3.26Å; V253-H255 PolarHBondContact O-N 3.08Å; H255-L259 WeakPolarHBondContact O-CG 3.27Å; H255-L259 PolarHBondContact O-N 3.46Å
256K94.8Very high87.3Confident98 Ų98100.8 Ų100.843%0.42651%0.505SS..Hα-helixtrans-60.6-47.1173.2177.8-163.665.164.60111.1A252 V253 L259 L260A252-K256 WeakPolarHBondContact O-CB 3.36Å; A252-K256 PolarHBondContact O-N 3.27Å; V253-K256 WeakPolarHBondContact O-CA 3.18Å; V253-K256 WeakPolarHBondContact O-CB 3.39Å; V253-K256 PolarHBondContact O-N 3.06Å; K256-L259 WeakPolarHBondContact O-CB 3.49Å; K256-L259 PolarHBondContact O-N 3.34Å; K256-L260 HydrophobicContact CG-CD1 4.24Å; K256-L260 WeakPolarHBondContact O-CG 3.39Å; K256-L260 PolarHBondContact O-N 2.65Å
257D94Very high86Confident68 Ų6898 Ų9836%0.36450%0.502SS..Hα-helixtrans-66-40.5-179-67.2-41.1000111.5V253 L259 L260 E261V253-D257 VanDerWaalsContact CG1-OD2 3.3Å; V253-D257 WeakPolarHBondContact CG1-OD2 3.49Å; V253-D257 PolarHBondContact O-N 3.22Å; D257-L259 VanDerWaalsContact C-N 3.31Å; D257-L259 PolarHBondContact O-N 2.96Å; D257-L260 PolarHBondContact O-N 3.44Å; D257-L260 VanDerWaalsContact O-N 3.13Å; D257-E261 PolarHBondContact O-N 3.13Å
258K92.3Very high84.7Confident120 Ų120105.6 Ų105.652%0.52252%0.522SS..Hα-helixtrans-58.9-38171-173.4171.2-174.7171.90113.1Q254 E261 F262Q254-K258 WeakPolarHBondContact O-CB 3.41Å; Q254-K258 PolarHBondContact O-N 3.44Å; K258-E261 PolarHBondContact O-N 2.65Å; K258-F262 HydrophobicContact CD-CE2 4.31Å; K258-F262 HydrophobicContact CG-CD2 4.09Å; K258-F262 HydrophobicContact CG-CE2 3.81Å; K258-F262 WeakPolarHBondContact O-CD2 3.43Å; K258-F262 PolarHBondContact O-N 3.35Å
259L89.1Confident83.2Confident97 Ų97112.8 Ų112.851%0.50854%0.536SS..Hα-helixtrans-68-39.1174.2-72.9174.1000112.3H255 K256 D257 E261 F262 D263H255-L259 WeakPolarHBondContact O-CG 3.27Å; H255-L259 PolarHBondContact O-N 3.46Å; K256-L259 WeakPolarHBondContact O-CB 3.49Å; K256-L259 PolarHBondContact O-N 3.34Å; D257-L259 VanDerWaalsContact C-N 3.31Å; D257-L259 PolarHBondContact O-N 2.96Å; L259-E261 VanDerWaalsContact C-N 3.35Å; L259-F262 PolarHBondContact O-N 3.13Å; L259-D263 PolarHBondContact O-N 3.44Å
260L89.3Confident81.7Confident95 Ų95112.1 Ų112.150%0.49754%0.537SS..Hα-helixtrans-67-34.9175.2-67.1168.3000112K256 D257 R264K256-L260 HydrophobicContact CG-CD1 4.24Å; K256-L260 WeakPolarHBondContact O-CG 3.39Å; K256-L260 PolarHBondContact O-N 2.65Å; D257-L260 PolarHBondContact O-N 3.44Å; D257-L260 VanDerWaalsContact O-N 3.13Å; L260-R264 WeakPolarHBondContact O-CB 3.32Å; L260-R264 PolarHBondContact O-N 3.15Å
261E85.8Confident79.9Confident126 Ų126113.1 Ų113.159%0.58954%0.541SS*.Hα-helixtrans-67.2-38.1170.7-73.3-171.3156.300112.7D257 K258 L259 N265D257-E261 PolarHBondContact O-N 3.13Å; K258-E261 PolarHBondContact O-N 2.65Å; L259-E261 VanDerWaalsContact C-N 3.35Å; E261-N265 VanDerWaalsContact O-CB 3.23Å; E261-N265 WeakPolarHBondContact O-CB 3.32Å; E261-N265 PolarHBondContact O-N 3.44Å; E261-N265 PolarHBondContact O-ND2 2.82Å
262F82.4Confident78.6Confident115 Ų115112.4 Ų112.450%0.50455%0.549SS..Hα-helixtrans-63.9-46.2172.6-82.8-58.3000111.5K258 L259 N265 S266K258-F262 HydrophobicContact CD-CE2 4.31Å; K258-F262 HydrophobicContact CG-CD2 4.09Å; K258-F262 HydrophobicContact CG-CE2 3.81Å; K258-F262 WeakPolarHBondContact O-CD2 3.43Å; K258-F262 PolarHBondContact O-N 3.35Å; L259-F262 PolarHBondContact O-N 3.13Å; F262-N265 PolarHBondContact O-N 2.88Å; F262-S266 WeakPolarHBondContact O-CA 3.34Å; F262-S266 WeakPolarHBondContact O-CB 3.42Å; F262-S266 PolarHBondContact O-N 2.87Å
263D81.1Confident76.8Confident121 Ų121114.5 Ų114.565%0.64755%0.551SS**Hα-helixtrans-59.6-50.9178.2-162.842.4000110.6L259 N265 S266L259-D263 PolarHBondContact O-N 3.44Å; D263-N265 VanDerWaalsContact C-N 3.35Å; D263-N265 PolarHBondContact O-N 3.26Å; D263-S266 PolarHBondContact O-N 3Å; D263-S266 PolarHBondContact O-OG 2.92Å
264R82Confident74.9Confident210 Ų210115.9 Ų115.979%0.79256%0.556SS**Hα-helixtrans-61.2-34.3178.2-171.3178.7-172.1-175.83.4114.6L260L260-R264 WeakPolarHBondContact O-CB 3.32Å; L260-R264 PolarHBondContact O-N 3.15Å
265N74.5Confident73.1Confident56 Ų56116.8 Ų116.830%0.29957%0.565SS.*Hα-helixtrans-101-7-177.9-65.7-52.9000113.9E261 F262 D263 R268 R269E261-N265 VanDerWaalsContact O-CB 3.23Å; E261-N265 WeakPolarHBondContact O-CB 3.32Å; E261-N265 PolarHBondContact O-N 3.44Å; E261-N265 PolarHBondContact O-ND2 2.82Å; F262-N265 PolarHBondContact O-N 2.88Å; D263-N265 VanDerWaalsContact C-N 3.35Å; D263-N265 PolarHBondContact O-N 3.26Å; N265-R268 PolarHBondContact O-N 3.49Å; N265-R269 PolarHBondContact O-N 2.97Å; N265-R269 VanDerWaalsContact O-N 3.14Å
266S66.6Low71.4Confident45 Ų45119.8 Ų119.832%0.31558%0.579SS.*Hα-helixtrans-56.7-56.9-179.660.90000110.5F262 D263 R268 R269 T270F262-S266 WeakPolarHBondContact O-CA 3.34Å; F262-S266 WeakPolarHBondContact O-CB 3.42Å; F262-S266 PolarHBondContact O-N 2.87Å; D263-S266 PolarHBondContact O-N 3Å; D263-S266 PolarHBondContact O-OG 2.92Å; S266-R268 PolarHBondContact O-N 2.86Å; S266-R268 VanDerWaalsContact O-N 3.12Å; S266-R269 CarbonylContact O-C 3.58Å; S266-R269 WeakPolarHBondContact O-CA 3.36Å; S266-R269 PolarHBondContact O-N 2.95Å; S266-T270 PolarHBondContact O-N 3.42Å; S266-T270 PolarHBondContact O-OG1 2.9Å; S266-T270 VanDerWaalsContact O-OG1 3.09Å
267V57.1Low69.4Low102 Ų102118.2 Ų118.262%0.61858%0.581SS**Hα-helixtrans-53.2-36.7-179.8-175.60000112.3Q271V267-Q271 WeakPolarHBondContact O-CB 3.41Å; V267-Q271 PolarHBondContact O-N 3.06Å
268R59.6Low67.3Low202 Ų202119.5 Ų119.576%0.76259%0.587SS**Hα-helixtrans-78-20.6177.8-70.4-177.6172.5-172.4-4.8114.3N265 S266N265-R268 PolarHBondContact O-N 3.49Å; S266-R268 PolarHBondContact O-N 2.86Å; S266-R268 VanDerWaalsContact O-N 3.12Å
269R57.5Low65.3Low192 Ų192122.9 Ų122.973%0.72560%0.598SS**Hα-helixtrans-96.6-20.6174.6-75.8-178.2167.7135.6-4.8113.1N265 S266N265-R269 PolarHBondContact O-N 2.97Å; N265-R269 VanDerWaalsContact O-N 3.14Å; S266-R269 CarbonylContact O-C 3.58Å; S266-R269 WeakPolarHBondContact O-CA 3.36Å; S266-R269 PolarHBondContact O-N 2.95Å
270T59.8Low63.4Low102 Ų102124 Ų12463%0.62660%0.599SS**SBendtrans-101.13.1175.463.50000113.1S266 V272S266-T270 PolarHBondContact O-N 3.42Å; S266-T270 PolarHBondContact O-OG1 2.9Å; S266-T270 VanDerWaalsContact O-OG1 3.09Å; T270-V272 PolarHBondContact O-N 3.32Å
271Q54Low61.6Low132 Ų132121.8 Ų121.862%0.61760%0.595SS**  trans-69.887.2163.2-176.31722.400108V267 L273V267-Q271 WeakPolarHBondContact O-CB 3.41Å; V267-Q271 PolarHBondContact O-N 3.06Å; Q271-L273 HydrophobicContact CG-CD2 4.06Å; Q271-L273 PolarHBondContact O-N 3.14Å; Q271-L273 VanDerWaalsContact O-N 3.08Å
272V64.3Low60.1Low131 Ų131116.6 Ų116.679%0.79457%0.571SS**  trans-67.4103.4167.2-179.10000106.6T270T270-V272 PolarHBondContact O-N 3.32Å
273L53.6Low58.6Low102 Ų102116.6 Ų116.653%0.53457%0.573SS.*  trans-71.9131.3162-60.4175.5000106.9Q271Q271-L273 HydrophobicContact CG-CD2 4.06Å; Q271-L273 PolarHBondContact O-N 3.14Å; Q271-L273 VanDerWaalsContact O-N 3.08Å
274D53.9Low57.5Low91 Ų91115.1 Ų115.149%0.48757%0.572SS.*  trans-101.189.5-179.6-178.40.4000107.6E276 S277 D278D274-E276 PolarHBondContact O-N 3.32Å; D274-E276 VanDerWaalsContact O-N 3.1Å; D274-E276 PolarHBondContact OD1-N 3.37Å; D274-S277 WeakPolarHBondContact O-CA 3.44Å; D274-S277 WeakPolarHBondContact O-CB 3.49Å; D274-S277 PolarHBondContact O-N 2.93Å; D274-S277 PolarHBondContact O-OG 3.05Å; D274-D278 PolarHBondContact O-N 2.72Å; D274-D278 VanDerWaalsContact O-N 3.1Å
275D53.5Low56.7Low129 Ų129108.7 Ų108.769%0.6955%0.554SS**Hα-helixtrans-56.8-23.3-176-65.8-23.5000113S277D275-S277 PolarHBondContact O-N 3.15Å
276E54.3Low56.2Low182 Ų182113.7 Ų113.785%0.8558%0.575SS**Hα-helixtrans-74.4-13.5173.7-64.4-167.9172.400112.9D274D274-E276 PolarHBondContact O-N 3.32Å; D274-E276 VanDerWaalsContact O-N 3.1Å; D274-E276 PolarHBondContact OD1-N 3.37Å
277S53.4Low56.1Low65 Ų65123.1 Ų123.146%0.45560%0.604SS.*Hα-helixtrans-106.2-42.5178.573.90000113.4D274 D275 Y279 F280D274-S277 WeakPolarHBondContact O-CA 3.44Å; D274-S277 WeakPolarHBondContact O-CB 3.49Å; D274-S277 PolarHBondContact O-N 2.93Å; D274-S277 PolarHBondContact O-OG 3.05Å; D275-S277 PolarHBondContact O-N 3.15Å; S277-Y279 PolarHBondContact O-N 3.16Å; S277-F280 PolarHBondContact O-N 2.98Å
278D49.6Very low56.7Low94 Ų94120.7 Ų120.750%0.50359%0.587SS.*Hα-helixtrans-68.9-17-177.5-82.9-28.7000113.4D274 F280 A281D274-D278 PolarHBondContact O-N 2.72Å; D274-D278 VanDerWaalsContact O-N 3.1Å; D278-F280 PolarHBondContact O-N 3.27Å; D278-F280 VanDerWaalsContact O-N 3.15Å; D278-A281 PolarHBondContact O-N 3.26Å
279Y49.4Very low57.6Low191 Ų191113.4 Ų113.475%0.74957%0.567SS**THydrogen-bonded Turntrans-63.9-16.9175.1-158.5-92.2000113.5S277S277-Y279 PolarHBondContact O-N 3.16Å
280F49.8Very low58.5Low121 Ų121109 Ų10953%0.53156%0.563SS.*THydrogen-bonded Turntrans-118.548.9178.3-63.9-80.8000112.2S277 D278 T282S277-F280 PolarHBondContact O-N 2.98Å; D278-F280 PolarHBondContact O-N 3.27Å; D278-F280 VanDerWaalsContact O-N 3.15Å; F280-T282 PolarHBondContact O-N 3.4Å; F280-T282 PolarHBondContact O-OG1 3.42Å; F280-T282 VanDerWaalsContact O-OG1 3.14Å
281A51.8Low59.4Low49 Ų49110.1 Ų110.141%0.40557%0.566SS.*  trans-68.959.3166.100000111.8D278 E283 S284D278-A281 PolarHBondContact O-N 3.26Å; A281-E283 PolarHBondContact O-N 3.27Å; A281-E283 VanDerWaalsContact O-N 3.13Å; A281-S284 PolarHBondContact O-N 3.43Å; A281-S284 PolarHBondContact O-OG 3.07Å
282T54.1Low60.5Low16 Ų16108.3 Ų108.310%0.09856%0.557CS.*G310 helixtrans-60.6-31.6-167.8-370000112.7F280 S284 N285 M296 E300F280-T282 PolarHBondContact O-N 3.4Å; F280-T282 PolarHBondContact O-OG1 3.42Å; F280-T282 VanDerWaalsContact O-OG1 3.14Å; T282-S284 VanDerWaalsContact C-N 3.34Å; T282-S284 PolarHBondContact O-N 3.08Å; T282-N285 PolarHBondContact O-N 2.86Å; T282-M296 HydrophobicContact CG2-CB 3.71Å; T282-M296 HydrophobicContact CG2-CE 3.53Å; T282-M296 HydrophobicContact CG2-CG 4.34Å; T282-E300 VanDerWaalsContact CB-OE2 3.29Å; T282-E300 WeakPolarHBondContact CB-OE2 3.27Å; T282-E300 PolarHBondContact OG1-OE2 3.36Å
283E51.6Low61Low116 Ų116105.8 Ų105.854%0.54253%0.534SS..G310 helixtrans-65.7-30.6177.1-54.4-154.1105.900113.8A281 N285 R297A281-E283 PolarHBondContact O-N 3.27Å; A281-E283 VanDerWaalsContact O-N 3.13Å; E283-N285 VanDerWaalsContact C-N 3.32Å; E283-N285 PolarHBondContact O-N 3.23Å; E283-R297 IonicContact OE1-CZ 2.71Å; E283-R297 IonicContact OE1-NE 3.19Å; E283-R297 PolarHBondContact OE1-NE 3.32Å; E283-R297 IonicContact OE1-NH2 2.89Å; E283-R297 PolarHBondContact OE1-NH2 3.14Å
284S57.2Low62.2Low89 Ų89106.4 Ų106.462%0.62253%0.534SS*.G310 helixtrans-82.7-7.5-176.469.30000113.8A281 T282 Q286A281-S284 PolarHBondContact O-N 3.43Å; A281-S284 PolarHBondContact O-OG 3.07Å; T282-S284 VanDerWaalsContact C-N 3.34Å; T282-S284 PolarHBondContact O-N 3.08Å; S284-Q286 PolarHBondContact O-N 3.15Å
285N64.7Low63.4Low76 Ų76109.3 Ų109.341%0.40654%0.542SS..  trans-70.190.4-177.2-80.8-50.3000112.1T282 E283 W287 L288 R293T282-N285 PolarHBondContact O-N 2.86Å; E283-N285 VanDerWaalsContact C-N 3.32Å; E283-N285 PolarHBondContact O-N 3.23Å; N285-W287 PolarHBondContact O-N 2.93Å; N285-L288 HydrophobicContact CB-CD1 4.01Å; N285-L288 HydrophobicContact CB-CG 4.2Å; N285-L288 PolarHBondContact O-N 2.78Å; N285-R293 VanDerWaalsContact O-CZ 3.3Å; N285-R293 PolarHBondContact O-NE 3.42Å
286Q64.8Low64.3Low161 Ų161105.8 Ų105.875%0.75252%0.522SS*.THydrogen-bonded Turntrans-58.2-17-179.6-168.5170.44.400114.1S284 R293S284-Q286 PolarHBondContact O-N 3.15Å; Q286-R293 VanDerWaalsContact C-NH2 3.3Å; Q286-R293 PolarHBondContact O-NH2 3.23Å
287W63.7Low65.3Low243 Ų243102.4 Ų102.492%0.9250%0.501SS*.THydrogen-bonded Turntrans-88-13.7-176.7-58.8100000115.4N285N285-W287 PolarHBondContact O-N 2.93Å
288L69.8Low66.7Low51 Ų51105.4 Ų105.427%0.26751%0.506SS..SBendtrans-80.8146.3174.6-67.3174.4000111N285 E292 R293 M296N285-L288 HydrophobicContact CB-CD1 4.01Å; N285-L288 HydrophobicContact CB-CG 4.2Å; N285-L288 PolarHBondContact O-N 2.78Å; L288-E292 HydrophobicContact CB-CB 4.38Å; L288-E292 HydrophobicContact CD2-CB 4.49Å; L288-R293 HydrophobicContact CB-CG 3.61Å; L288-R293 HydrophobicContact CD1-CG 4.23Å; L288-R293 VanDerWaalsContact O-CZ 3.25Å; L288-R293 PolarHBondContact O-NE 3.15Å; L288-R293 PolarHBondContact O-NH2 2.85Å; L288-M296 HydrophobicContact CD1-CG 4.42Å
289S78.8Confident67.9Low48 Ų48104.5 Ų104.534%0.33650%0.5SS..  trans-68.9158.7170.674.60000111.5N291 E292 R293S289-N291 VanDerWaalsContact C-N 3.29Å; S289-N291 PolarHBondContact O-N 3.32Å; S289-E292 WeakPolarHBondContact CB-OE2 3.27Å; S289-E292 PolarHBondContact N-OE2 3.46Å; S289-E292 PolarHBondContact O-N 3.44Å; S289-E292 WeakPolarHBondContact OG-CG 3.23Å; S289-E292 PolarHBondContact OG-N 2.92Å; S289-E292 PolarHBondContact OG-OE2 2.92Å; S289-R293 PolarHBondContact O-N 3.18Å
290P77.3Confident69Low100 Ų10099.4 Ų99.465%0.64948%0.483SS*.Hα-helixtrans-55.3-42.1-179.5-27.135.7000113.4E292 R293 E294P290-E292 VanDerWaalsContact C-N 3.28Å; P290-E292 PolarHBondContact O-N 2.9Å; P290-R293 PolarHBondContact O-N 2.84Å; P290-E294 PolarHBondContact O-N 2.94Å
291N78.4Confident70.3Confident126 Ų12699.7 Ų99.767%0.67449%0.486SS*.Hα-helixtrans-69.3-23.4179.5-68.2-9.2000113.3S289 K295S289-N291 VanDerWaalsContact C-N 3.29Å; S289-N291 PolarHBondContact O-N 3.32Å; N291-K295 WeakPolarHBondContact O-CD 3.26Å; N291-K295 VanDerWaalsContact O-CG 3.3Å; N291-K295 WeakPolarHBondContact O-CG 3.21Å
292E76.1Confident71.6Confident94 Ų94100.7 Ų100.744%0.43948%0.484SS..Hα-helixtrans-81.5-41.9173.7-70.9158.5148.500110.6L288 S289 P290 E294 K295 M296L288-E292 HydrophobicContact CB-CB 4.38Å; L288-E292 HydrophobicContact CD2-CB 4.49Å; S289-E292 WeakPolarHBondContact CB-OE2 3.27Å; S289-E292 PolarHBondContact N-OE2 3.46Å; S289-E292 PolarHBondContact O-N 3.44Å; S289-E292 WeakPolarHBondContact OG-CG 3.23Å; S289-E292 PolarHBondContact OG-N 2.92Å; S289-E292 PolarHBondContact OG-OE2 2.92Å; P290-E292 VanDerWaalsContact C-N 3.28Å; P290-E292 PolarHBondContact O-N 2.9Å; E292-E294 VanDerWaalsContact C-N 3.31Å; E292-E294 PolarHBondContact O-N 2.97Å; E292-K295 PolarHBondContact O-N 3.5Å; E292-M296 WeakPolarHBondContact O-CB 3.11Å; E292-M296 WeakPolarHBondContact O-CG 3.33Å; E292-M296 PolarHBondContact O-N 3.23Å
293R75.7Confident72.5Confident78 Ų78100.9 Ų100.929%0.29449%0.485SS..Hα-helixtrans-57.9-42.8174.3-64-177.8-146.8-164.65.3112N285 Q286 L288 S289 P290 M296 R297N285-R293 VanDerWaalsContact O-CZ 3.3Å; N285-R293 PolarHBondContact O-NE 3.42Å; Q286-R293 VanDerWaalsContact C-NH2 3.3Å; Q286-R293 PolarHBondContact O-NH2 3.23Å; L288-R293 HydrophobicContact CB-CG 3.61Å; L288-R293 HydrophobicContact CD1-CG 4.23Å; L288-R293 VanDerWaalsContact O-CZ 3.25Å; L288-R293 PolarHBondContact O-NE 3.15Å; L288-R293 PolarHBondContact O-NH2 2.85Å; S289-R293 PolarHBondContact O-N 3.18Å; P290-R293 PolarHBondContact O-N 2.84Å; R293-M296 PolarHBondContact O-N 2.9Å; R293-R297 WeakPolarHBondContact O-CB 3.17Å; R293-R297 PolarHBondContact O-N 3.44Å
294E77.6Confident73.4Confident115 Ų115103.4 Ų103.454%0.53749%0.489SS..Hα-helixtrans-61.1-44.7177.1-158.183.5-92.500112P290 E292 R297 K298P290-E294 PolarHBondContact O-N 2.94Å; E292-E294 VanDerWaalsContact C-N 3.31Å; E292-E294 PolarHBondContact O-N 2.97Å; E294-R297 IonicContact OE1-NH1 2.96Å; E294-R297 PolarHBondContact OE1-NH1 2.83Å; E294-K298 WeakPolarHBondContact O-CB 3.15Å; E294-K298 PolarHBondContact O-N 3.3Å
295K80.1Confident74.3Confident152 Ų152106.1 Ų106.166%0.66149%0.492SS*.Hα-helixtrans-64.3-41.7176.2-73.4172.2-177.6178.70112.2N291 E292 K298 M299N291-K295 WeakPolarHBondContact O-CD 3.26Å; N291-K295 VanDerWaalsContact O-CG 3.3Å; N291-K295 WeakPolarHBondContact O-CG 3.21Å; E292-K295 PolarHBondContact O-N 3.5Å; K295-K298 PolarHBondContact O-N 3.05Å; K295-M299 WeakPolarHBondContact O-CB 3.42Å; K295-M299 PolarHBondContact O-N 2.82Å
296M71.6Confident74.6Confident54 Ų54105.4 Ų105.427%0.26649%0.488SS..Hα-helixtrans-67.7-47.3-179.3-68.7-73.1-67.100111T282 L288 E292 R293 K298 M299 E300 M346T282-M296 HydrophobicContact CG2-CB 3.71Å; T282-M296 HydrophobicContact CG2-CE 3.53Å; T282-M296 HydrophobicContact CG2-CG 4.34Å; L288-M296 HydrophobicContact CD1-CG 4.42Å; E292-M296 WeakPolarHBondContact O-CB 3.11Å; E292-M296 WeakPolarHBondContact O-CG 3.33Å; E292-M296 PolarHBondContact O-N 3.23Å; R293-M296 PolarHBondContact O-N 2.9Å; M296-K298 VanDerWaalsContact C-N 3.3Å; M296-K298 PolarHBondContact O-N 3.03Å; M296-M299 PolarHBondContact O-N 2.88Å; M296-E300 WeakPolarHBondContact O-CB 2.79Å; M296-E300 PolarHBondContact O-N 3.06Å; M296-M346 HydrophobicContact CE-CG 4.4Å; M296-M346 HydrophobicContact CE-SD 3.42Å; M296-M346 WeakPolarHBondContact CE-SD 3.12Å; M296-M346 HydrophobicContact SD-CG 4.09Å; M296-M346 HydrophobicContact SD-SD 3.79Å
297R76.3Confident74.7Confident111 Ų111105 Ų10542%0.41948%0.479SS..Hα-helixtrans-52.4-49.4171175.9-170.2-71.3142.7-6.7110.9E283 R293 E294 M299 E300 E301E283-R297 IonicContact OE1-CZ 2.71Å; E283-R297 IonicContact OE1-NE 3.19Å; E283-R297 PolarHBondContact OE1-NE 3.32Å; E283-R297 IonicContact OE1-NH2 2.89Å; E283-R297 PolarHBondContact OE1-NH2 3.14Å; R293-R297 WeakPolarHBondContact O-CB 3.17Å; R293-R297 PolarHBondContact O-N 3.44Å; E294-R297 IonicContact OE1-NH1 2.96Å; E294-R297 PolarHBondContact OE1-NH1 2.83Å; R297-M299 PolarHBondContact O-N 3.09Å; R297-E300 WeakPolarHBondContact O-CB 3.16Å; R297-E300 PolarHBondContact O-N 2.81Å; R297-E301 WeakPolarHBondContact O-CB 3.42Å; R297-E301 PolarHBondContact O-N 3.14Å
298K81.8Confident74.8Confident129 Ų129100 Ų10056%0.56147%0.466SS*.Hα-helixtrans-63-43.5-179.4-175.5169.8-178.3173.80112.5E294 K295 M296 E300 E301 D302E294-K298 WeakPolarHBondContact O-CB 3.15Å; E294-K298 PolarHBondContact O-N 3.3Å; K295-K298 PolarHBondContact O-N 3.05Å; M296-K298 VanDerWaalsContact C-N 3.3Å; M296-K298 PolarHBondContact O-N 3.03Å; K298-E300 VanDerWaalsContact C-N 3.28Å; K298-E300 PolarHBondContact O-N 2.81Å; K298-E301 PolarHBondContact O-N 3.29Å; K298-D302 WeakPolarHBondContact O-CB 3.42Å; K298-D302 VanDerWaalsContact O-CG 3.23Å; K298-D302 PolarHBondContact O-N 3.32Å
299M75.6Confident74.7Confident75 Ų75100.1 Ų100.137%0.36948%0.475SS..Hα-helixtrans-64.6-34.4177.2-171.668.2105.800112.1K295 M296 R297 L303 T342K295-M299 WeakPolarHBondContact O-CB 3.42Å; K295-M299 PolarHBondContact O-N 2.82Å; M296-M299 PolarHBondContact O-N 2.88Å; R297-M299 PolarHBondContact O-N 3.09Å; M299-L303 WeakPolarHBondContact O-CB 3.43Å; M299-L303 WeakPolarHBondContact O-CG 3.37Å; M299-L303 PolarHBondContact O-N 2.86Å; M299-T342 HydrophobicContact CE-CG2 3.67Å; M299-T342 HydrophobicContact CG-CG2 3.69Å; M299-T342 HydrophobicContact SD-CG2 3.47Å; M299-T342 WeakPolarHBondContact SD-CG2 3.41Å
300E73.2Confident73.5Confident83 Ų83100.4 Ų100.439%0.38848%0.477SS..Hα-helixtrans-69.2-41174.1-164.3-175.5130.700111.6T282 M296 R297 K298 L303 R304T282-E300 VanDerWaalsContact CB-OE2 3.29Å; T282-E300 WeakPolarHBondContact CB-OE2 3.27Å; T282-E300 PolarHBondContact OG1-OE2 3.36Å; M296-E300 WeakPolarHBondContact O-CB 2.79Å; M296-E300 PolarHBondContact O-N 3.06Å; R297-E300 WeakPolarHBondContact O-CB 3.16Å; R297-E300 PolarHBondContact O-N 2.81Å; K298-E300 VanDerWaalsContact C-N 3.28Å; K298-E300 PolarHBondContact O-N 2.81Å; E300-L303 PolarHBondContact O-N 2.98Å; E300-R304 VanDerWaalsContact O-CB 3.23Å; E300-R304 WeakPolarHBondContact O-CB 3.16Å; E300-R304 PolarHBondContact O-N 2.76Å
301E76.9Confident72.6Confident127 Ų127105.9 Ų105.959%0.59349%0.485SS*.Hα-helixtrans-65.3-46174.2-172.5166.1-141.900111.9R297 K298 L303 R304 E305R297-E301 WeakPolarHBondContact O-CB 3.42Å; R297-E301 PolarHBondContact O-N 3.14Å; K298-E301 PolarHBondContact O-N 3.29Å; E301-L303 PolarHBondContact O-N 3.26Å; E301-R304 CarbonylContact O-C 3.6Å; E301-R304 WeakPolarHBondContact O-CB 3.36Å; E301-R304 PolarHBondContact O-N 3.04Å; E301-R304 VanDerWaalsContact O-N 3.13Å; E301-E305 PolarHBondContact O-N 2.76Å
302D78.3Confident71.6Confident70 Ų70108.6 Ų108.637%0.37449%0.49SS..Hα-helixtrans-58.3-44.8174.3-69.4-26.7000110.8K298 L306K298-D302 WeakPolarHBondContact O-CB 3.42Å; K298-D302 VanDerWaalsContact O-CG 3.23Å; K298-D302 PolarHBondContact O-N 3.32Å; D302-L306 WeakPolarHBondContact O-CB 3.35Å; D302-L306 WeakPolarHBondContact O-CD1 3.49Å; D302-L306 VanDerWaalsContact O-CG 3.28Å; D302-L306 WeakPolarHBondContact O-CG 3.27Å; D302-L306 PolarHBondContact O-N 2.8Å
303L72.4Confident70.7Confident21 Ų21109.9 Ų109.911%0.1150%0.5CS..Hα-helixtrans-66.7-33.8175.3-80.4172000113.1M299 E300 E301 R307 K338 L339 T342M299-L303 WeakPolarHBondContact O-CB 3.43Å; M299-L303 WeakPolarHBondContact O-CG 3.37Å; M299-L303 PolarHBondContact O-N 2.86Å; E300-L303 PolarHBondContact O-N 2.98Å; E301-L303 PolarHBondContact O-N 3.26Å; L303-R307 WeakPolarHBondContact O-CB 3.14Å; L303-R307 PolarHBondContact O-N 3.23Å; L303-K338 HydrophobicContact CD2-CB 4.37Å; L303-L339 HydrophobicContact CD1-CD1 3.9Å; L303-L339 HydrophobicContact CD2-CB 4.39Å; L303-L339 HydrophobicContact CD2-CD1 4.41Å; L303-T342 HydrophobicContact CD1-CG2 3.83Å; L303-T342 HydrophobicContact CD2-CG2 4.37Å; L303-T342 HydrophobicContact CG-CG2 4.26Å
304R70.4Confident70.2Confident168 Ų168112.4 Ų112.463%0.63451%0.51SS*.Hα-helixtrans-71.3-43.9176.5-178176.4-176.1-176.52.5111E300 E301 L306 R307 H308E300-R304 VanDerWaalsContact O-CB 3.23Å; E300-R304 WeakPolarHBondContact O-CB 3.16Å; E300-R304 PolarHBondContact O-N 2.76Å; E301-R304 CarbonylContact O-C 3.6Å; E301-R304 WeakPolarHBondContact O-CB 3.36Å; E301-R304 PolarHBondContact O-N 3.04Å; E301-R304 VanDerWaalsContact O-N 3.13Å; R304-L306 VanDerWaalsContact C-N 3.33Å; R304-R307 PolarHBondContact O-N 3.49Å; R304-R307 VanDerWaalsContact O-N 3.16Å; R304-H308 PolarHBondContact O-CD2 2.72Å; R304-H308 PolarHBondContact O-N 3.08Å
305E76.1Confident69.5Low147 Ų147114.2 Ų114.269%0.68752%0.516SS*.Hα-helixtrans-62-42.4173.5-172.5166.5-132.700110.5E301 R307 H308 A309E301-E305 PolarHBondContact O-N 2.76Å; E305-R307 VanDerWaalsContact C-N 3.32Å; E305-R307 PolarHBondContact O-N 3.1Å; E305-H308 CarbonylContact O-C 3.58Å; E305-H308 PolarHBondContact O-N 2.64Å; E305-H308 VanDerWaalsContact O-N 3.13Å; E305-A309 WeakPolarHBondContact O-CA 3.43Å; E305-A309 WeakPolarHBondContact O-CB 3.05Å; E305-A309 PolarHBondContact O-N 2.77Å
306L72.9Confident69.2Low60 Ų60111.5 Ų111.531%0.31451%0.507SS..Hα-helixtrans-59.1-37.7171.9-76.8161.5000113.5D302 R304 A309 Y335 K338D302-L306 WeakPolarHBondContact O-CB 3.35Å; D302-L306 WeakPolarHBondContact O-CD1 3.49Å; D302-L306 VanDerWaalsContact O-CG 3.28Å; D302-L306 WeakPolarHBondContact O-CG 3.27Å; D302-L306 PolarHBondContact O-N 2.8Å; R304-L306 VanDerWaalsContact C-N 3.33Å; L306-A309 WeakPolarHBondContact O-CB 3.27Å; L306-Y335 HydrophobicContact CB-CD2 4.44Å; L306-K338 HydrophobicContact CD1-CD 3.46Å; L306-K338 VanDerWaalsContact CD1-CD 3.46Å; L306-K338 HydrophobicContact CD2-CD 4.27Å
307R66.1Low69.2Low152 Ų152111.5 Ų111.557%0.57451%0.51SS*.Hα-helixtrans-71.5-29.5176.1-165.5-169.8-66.4173.62112.7L303 R304 E305 Y335L303-R307 WeakPolarHBondContact O-CB 3.14Å; L303-R307 PolarHBondContact O-N 3.23Å; R304-R307 PolarHBondContact O-N 3.49Å; R304-R307 VanDerWaalsContact O-N 3.16Å; E305-R307 VanDerWaalsContact C-N 3.32Å; E305-R307 PolarHBondContact O-N 3.1Å; R307-Y335 HydrophobicContact CB-CD2 4.25Å; R307-Y335 HydrophobicContact CB-CE2 3.9Å; R307-Y335 HydrophobicContact CG-CE2 4.24Å; R307-Y335 PolarHBondContact NE-OH 3.11Å; R307-Y335 PolarHBondContact NH2-OH 3.25Å
308H66.1Low69.2Low138 Ų138110.9 Ų110.964%0.63952%0.515SS*.Hα-helixtrans-99.84.7178.8-67.5-66.1000113.8R304 E305R304-H308 PolarHBondContact O-CD2 2.72Å; R304-H308 PolarHBondContact O-N 3.08Å; E305-H308 CarbonylContact O-C 3.58Å; E305-H308 PolarHBondContact O-N 2.64Å; E305-H308 VanDerWaalsContact O-N 3.13Å
309A67.5Low69Low54 Ų54108.2 Ų108.245%0.44651%0.507SS..SBendtrans-57.5158.4177.600000112.1E305 L306 R311E305-A309 WeakPolarHBondContact O-CA 3.43Å; E305-A309 WeakPolarHBondContact O-CB 3.05Å; E305-A309 PolarHBondContact O-N 2.77Å; L306-A309 WeakPolarHBondContact O-CB 3.27Å; A309-R311 PolarHBondContact O-N 3.03Å
310S54.1Low68.7Low55 Ų55113.1 Ų113.139%0.38553%0.526SS..  trans-65.7105.9-159.4178.50000113.7K312 D313S310-K312 PolarHBondContact O-N 3.09Å; S310-K312 VanDerWaalsContact OG-CB 3.3Å; S310-K312 WeakPolarHBondContact OG-CB 3.34Å; S310-K312 WeakPolarHBondContact OG-CD 3.15Å; S310-K312 VanDerWaalsContact OG-CG 3.27Å; S310-K312 WeakPolarHBondContact OG-CG 3.35Å; S310-K312 PolarHBondContact OG-N 2.85Å; S310-D313 PolarHBondContact O-N 2.86Å
311R58.3Low68.5Low215 Ų215113.5 Ų113.581%0.81154%0.544SS*.G310 helixtrans-57.20.6169.2-65.2-176.2177.9179.2-0.6115.2A309 D313A309-R311 PolarHBondContact O-N 3.03Å; R311-D313 VanDerWaalsContact C-N 3.35Å
312K55.7Low68.1Low183 Ų183109.6 Ų109.680%0.79654%0.538SS*.G310 helixtrans-74.4-21.9-179.3-59.4175.3-174.2170.60113.3S310 R314S310-K312 PolarHBondContact O-N 3.09Å; S310-K312 VanDerWaalsContact OG-CB 3.3Å; S310-K312 WeakPolarHBondContact OG-CB 3.34Å; S310-K312 WeakPolarHBondContact OG-CD 3.15Å; S310-K312 VanDerWaalsContact OG-CG 3.27Å; S310-K312 WeakPolarHBondContact OG-CG 3.35Å; S310-K312 PolarHBondContact OG-N 2.85Å; K312-R314 VanDerWaalsContact C-N 3.25Å; K312-R314 PolarHBondContact O-N 3.13Å
313D58.5Low67.8Low120 Ų120117.1 Ų117.164%0.64256%0.561SS**G310 helixtrans-87.15.5-172.6-58.3-30.7000113.4S310 R311 K315S310-D313 PolarHBondContact O-N 2.86Å; R311-D313 VanDerWaalsContact C-N 3.35Å; D313-K315 PolarHBondContact O-N 3.28Å; D313-K315 VanDerWaalsContact O-N 3.14Å
314R63.9Low67.3Low131 Ų131122.3 Ų122.349%0.49459%0.585SS.*  trans-62.1107173.6-77179.4158.6-106.5-4.8112.1K312 I316 D327K312-R314 VanDerWaalsContact C-N 3.25Å; K312-R314 PolarHBondContact O-N 3.13Å; R314-I316 PolarHBondContact O-N 3.3Å; R314-D327 IonicContact NH1-OD2 3.21Å; R314-D327 PolarHBondContact NH1-OD2 3.34Å
315K64.6Low67.4Low154 Ų154119.1 Ų119.167%0.6758%0.584SS**  trans-89101.1174-68170.9-173.1168.50110.4D313 E328D313-K315 PolarHBondContact O-N 3.28Å; D313-K315 VanDerWaalsContact O-N 3.14Å; K315-E328 PolarHBondContact O-N 3.41Å; K315-E328 VanDerWaalsContact O-N 3.15Å
316I72.7Confident66.9Low94 Ų94116.2 Ų116.248%0.48257%0.572SS.*EExtended strand (participates in β ladder)trans-93.8117.4171.5-61.1165000108.1R314 L318 V325 D327R314-I316 PolarHBondContact O-N 3.3Å; I316-L318 HydrophobicContact CG2-CD2 4.06Å; I316-L318 HydrophobicContact CG2-CG 4.45Å; I316-V325 HydrophobicContact CG2-CG1 3.46Å; I316-V325 VanDerWaalsContact CG2-CG1 3.46Å; I316-D327 WeakPolarHBondContact CG1-OD1 3.17Å
317T72Confident66.4Low54 Ų54117.3 Ų117.333%0.33158%0.578SS.*EExtended strand (participates in β ladder)trans-94.6135.3171.952.80000110.4I326 E328T317-I326 PolarHBondContact N-O 3.31Å; T317-I326 PolarHBondContact O-N 3.06Å; T317-I326 WeakPolarHBondContact OG1-CB 3.42Å; T317-I326 PolarHBondContact OG1-O 3.08Å; T317-E328 HydrophobicContact CG2-CG 4.4Å
318L76.1Confident66Low98 Ų98115.9 Ų115.951%0.51358%0.578SS.*EExtended strand (participates in β ladder)trans-116.8106-172.2-67.2177.4000109.9I316 F320 V325I316-L318 HydrophobicContact CG2-CD2 4.06Å; I316-L318 HydrophobicContact CG2-CG 4.45Å; L318-F320 HydrophobicContact CB-CD2 4.47Å; L318-F320 HydrophobicContact CB-CE2 3.83Å; L318-F320 HydrophobicContact CB-CZ 4.03Å; L318-F320 HydrophobicContact CD1-CZ 4.12Å; L318-F320 WeakPolarHBondContact O-CD2 3.37Å; L318-F320 PolarHBondContact O-N 2.89Å; L318-V325 HydrophobicContact CD2-CB 4.29Å; L318-V325 HydrophobicContact CD2-CG1 3.98Å; L318-V325 HydrophobicContact CD2-CG2 3.75Å
319D77.6Confident65.4Low73 Ų73112.1 Ų112.139%0.3958%0.576SS.*EExtended strand (participates in β ladder)trans-87.1103.5171.9178.912000110.4A321 G322 R323 Q324D319-A321 VanDerWaalsContact C-N 3.3Å; D319-A321 PolarHBondContact O-N 3.24Å; D319-A321 WeakPolarHBondContact OD1-CA 3.23Å; D319-A321 WeakPolarHBondContact OD1-CB 3.41Å; D319-A321 PolarHBondContact OD1-N 3.15Å; D319-G322 PolarHBondContact OD1-N 3.1Å; D319-G322 VanDerWaalsContact OD1-N 3.1Å; D319-G322 WeakPolarHBondContact OD2-CA 3.38Å; D319-G322 PolarHBondContact OD2-N 3.04Å; D319-R323 WeakPolarHBondContact O-CA 3.09Å; D319-R323 PolarHBondContact O-N 3.48Å; D319-Q324 PolarHBondContact N-O 3.2Å; D319-Q324 PolarHBondContact O-N 3.08Å
320F69Low64.8Low178 Ų178115.3 Ų115.378%0.78159%0.586SS**THydrogen-bonded Turntrans-72.9-17.9177.3-65-84.5000113.8L318L318-F320 HydrophobicContact CB-CD2 4.47Å; L318-F320 HydrophobicContact CB-CE2 3.83Å; L318-F320 HydrophobicContact CB-CZ 4.03Å; L318-F320 HydrophobicContact CD1-CZ 4.12Å; L318-F320 WeakPolarHBondContact O-CD2 3.37Å; L318-F320 PolarHBondContact O-N 2.89Å
321A70.4Confident65Low92 Ų92118.1 Ų118.176%0.7660%0.597SS**THydrogen-bonded Turntrans-86.8-53.2176.900000111.3D319 R323D319-A321 VanDerWaalsContact C-N 3.3Å; D319-A321 PolarHBondContact O-N 3.24Å; D319-A321 WeakPolarHBondContact OD1-CA 3.23Å; D319-A321 WeakPolarHBondContact OD1-CB 3.41Å; D319-A321 PolarHBondContact OD1-N 3.15Å; A321-R323 VanDerWaalsContact C-N 3.26Å; A321-R323 PolarHBondContact O-N 3.33Å
322G67.6Low65Low45 Ų45111.7 Ų111.746%0.46458%0.577SS.*THydrogen-bonded Turntrans-74-12.1175.300000114.5D319 Q324D319-G322 PolarHBondContact OD1-N 3.1Å; D319-G322 VanDerWaalsContact OD1-N 3.1Å; D319-G322 WeakPolarHBondContact OD2-CA 3.38Å; D319-G322 PolarHBondContact OD2-N 3.04Å; G322-Q324 PolarHBondContact O-N 2.78Å
323R72.5Confident65.5Low228 Ų228108.9 Ų108.986%0.8657%0.571SS**THydrogen-bonded Turntrans57.533.2-174.8-52.1-175.3-177.8-162.42.2113.1D319 A321D319-R323 WeakPolarHBondContact O-CA 3.09Å; D319-R323 PolarHBondContact O-N 3.48Å; A321-R323 VanDerWaalsContact C-N 3.26Å; A321-R323 PolarHBondContact O-N 3.33Å
324Q60.5Low65.9Low129 Ų129108.5 Ų108.560%0.60357%0.565SS**EExtended strand (participates in β ladder)trans-110.5144.6178.7-72.1-170.9-16.600111.3D319 G322D319-Q324 PolarHBondContact N-O 3.2Å; D319-Q324 PolarHBondContact O-N 3.08Å; G322-Q324 PolarHBondContact O-N 2.78Å
325V72.6Confident66.1Low102 Ų102103.5 Ų103.562%0.61855%0.546SS*.EExtended strand (participates in β ladder)trans-105119.4171.8-179.50000106.4I316 L318I316-V325 HydrophobicContact CG2-CG1 3.46Å; I316-V325 VanDerWaalsContact CG2-CG1 3.46Å; L318-V325 HydrophobicContact CD2-CB 4.29Å; L318-V325 HydrophobicContact CD2-CG1 3.98Å; L318-V325 HydrophobicContact CD2-CG2 3.75Å
326I66.9Low66.3Low86 Ų86102.8 Ų102.844%0.44154%0.54SS..EExtended strand (participates in β ladder)trans-108.1111.7178.1-59.8173.1000106.7T317 E328T317-I326 PolarHBondContact N-O 3.31Å; T317-I326 PolarHBondContact O-N 3.06Å; T317-I326 WeakPolarHBondContact OG1-CB 3.42Å; T317-I326 PolarHBondContact OG1-O 3.08Å; I326-E328 HydrophobicContact CG2-CG 4.19Å
327D61.4Low66.4Low82 Ų82105.9 Ų105.944%0.43955%0.546SS..EExtended strand (participates in β ladder)trans-88.4104.6175.4-154.55.5000106.8R314 I316 G329R314-D327 IonicContact NH1-OD2 3.21Å; R314-D327 PolarHBondContact NH1-OD2 3.34Å; I316-D327 WeakPolarHBondContact CG1-OD1 3.17Å; D327-G329 VanDerWaalsContact C-N 3.28Å; D327-G329 PolarHBondContact O-N 3.09Å
328E57.7Low66.3Low123 Ų123106.3 Ų106.358%0.57554%0.543SS*.  trans-77.673.3-170.2-73.8-170.8172.500112.7K315 T317 I326K315-E328 PolarHBondContact O-N 3.41Å; K315-E328 VanDerWaalsContact O-N 3.15Å; T317-E328 HydrophobicContact CG2-CG 4.4Å; I326-E328 HydrophobicContact CG2-CG 4.19Å
329G53.1Low66Low58 Ų58104.1 Ų104.160%0.59853%0.531SS*.  trans104.5132.5162.800000115.4D327 D331D327-G329 VanDerWaalsContact C-N 3.28Å; D327-G329 PolarHBondContact O-N 3.09Å; G329-D331 PolarHBondContact O-N 2.89Å; G329-D331 VanDerWaalsContact O-N 3.15Å
330N55.4Low65.8Low122 Ų122104.1 Ų104.165%0.65253%0.532SS*.  trans-7798.5171.7-103.4-17.9000110.7M332 N333N330-M332 PolarHBondContact O-N 2.92Å; N330-N333 WeakPolarHBondContact O-CB 3.34Å; N330-N333 PolarHBondContact O-N 2.77Å; N330-N333 VanDerWaalsContact O-N 3.08Å
331D58Low66.1Low114 Ų114100.7 Ų100.761%0.6152%0.518SS*.THydrogen-bonded Turntrans-52.3-24.9174.9-148.617.9000113.5G329 N333 E334G329-D331 PolarHBondContact O-N 2.89Å; G329-D331 VanDerWaalsContact O-N 3.15Å; D331-N333 PolarHBondContact O-N 3.37Å; D331-E334 PolarHBondContact O-N 2.76Å
332M59.7Low66Low79 Ų7996.7 Ų96.739%0.38948%0.484SS..Hα-helixtrans-58.9-17.1175.2-59.2-55.4-54.700114.6N330 E334 Y335 Y336N330-M332 PolarHBondContact O-N 2.92Å; M332-E334 PolarHBondContact O-N 2.97Å; M332-Y335 HydrophobicContact CE-CD1 3.9Å; M332-Y335 HydrophobicContact CE-CE1 4.47Å; M332-Y335 HydrophobicContact CE-CG 4.24Å; M332-Y335 WeakPolarHBondContact O-CB 3.49Å; M332-Y335 PolarHBondContact O-N 3.19Å; M332-Y336 HydrophobicContact CB-CD2 4.24Å; M332-Y336 HydrophobicContact CB-CE2 3.96Å; M332-Y336 WeakPolarHBondContact O-CD2 3.26Å; M332-Y336 PolarHBondContact O-N 3.28Å
333N66Low65.9Low125 Ų12598.6 Ų98.667%0.66848%0.483SS*.Hα-helixtrans-68.3-33.3-175-155.428.3000112.5N330 D331 R337N330-N333 WeakPolarHBondContact O-CB 3.34Å; N330-N333 PolarHBondContact O-N 2.77Å; N330-N333 VanDerWaalsContact O-N 3.08Å; D331-N333 PolarHBondContact O-N 3.37Å; N333-R337 PolarHBondContact O-N 3.01Å
334E65.4Low65.7Low112 Ų11293.6 Ų93.652%0.52347%0.468SS..Hα-helixtrans-71.1-37.6174.5-172.7170.9145.300111.7D331 M332 R337 K338D331-E334 PolarHBondContact O-N 2.76Å; M332-E334 PolarHBondContact O-N 2.97Å; E334-R337 PolarHBondContact O-N 3.24Å; E334-K338 HydrophobicContact CG-CD 4.29Å; E334-K338 WeakPolarHBondContact O-CG 3.17Å; E334-K338 PolarHBondContact O-N 2.89Å; E334-K338 WeakPolarHBondContact OE1-CE 3.37Å; E334-K338 IonicContact OE1-NZ 2.62Å; E334-K338 PolarHBondContact OE1-NZ 3.4Å
335Y68.1Low66Low25 Ų2590.1 Ų90.110%0.09846%0.458CS..Hα-helixtrans-57.7-49.7172.3166.2-91.6000111.5L306 R307 M332 R337 K338 L339L306-Y335 HydrophobicContact CB-CD2 4.44Å; R307-Y335 HydrophobicContact CB-CD2 4.25Å; R307-Y335 HydrophobicContact CB-CE2 3.9Å; R307-Y335 HydrophobicContact CG-CE2 4.24Å; R307-Y335 PolarHBondContact NE-OH 3.11Å; R307-Y335 PolarHBondContact NH2-OH 3.25Å; M332-Y335 HydrophobicContact CE-CD1 3.9Å; M332-Y335 HydrophobicContact CE-CE1 4.47Å; M332-Y335 HydrophobicContact CE-CG 4.24Å; M332-Y335 WeakPolarHBondContact O-CB 3.49Å; M332-Y335 PolarHBondContact O-N 3.19Å; Y335-R337 VanDerWaalsContact C-N 3.34Å; Y335-R337 PolarHBondContact O-N 3Å; Y335-K338 PolarHBondContact O-N 2.58Å; Y335-L339 HydrophobicContact CE1-CD2 4.28Å; Y335-L339 WeakPolarHBondContact O-CB 3.33Å; Y335-L339 PolarHBondContact O-N 2.79Å
336Y69.6Low65.5Low139 Ų13988.7 Ų88.755%0.54545%0.445SS..Hα-helixtrans-65-36177.5-71-61.7000112.7M332 L339 D340M332-Y336 HydrophobicContact CB-CD2 4.24Å; M332-Y336 HydrophobicContact CB-CE2 3.96Å; M332-Y336 WeakPolarHBondContact O-CD2 3.26Å; M332-Y336 PolarHBondContact O-N 3.28Å; Y336-L339 HydrophobicContact CD1-CD2 4.49Å; Y336-L339 PolarHBondContact O-N 3.32Å; Y336-D340 WeakPolarHBondContact O-CB 3.06Å; Y336-D340 PolarHBondContact O-N 3.14Å
337R75.3Confident65.2Low159 Ų15991.6 Ų91.660%0.646%0.462SS*.Hα-helixtrans-64.4-45176.2-154.7-153.691.61729.3111.8N333 E334 Y335 D340 E341N333-R337 PolarHBondContact O-N 3.01Å; E334-R337 PolarHBondContact O-N 3.24Å; Y335-R337 VanDerWaalsContact C-N 3.34Å; Y335-R337 PolarHBondContact O-N 3Å; R337-D340 PolarHBondContact O-N 2.86Å; R337-E341 IonicContact CZ-OE2 3.48Å; R337-E341 IonicContact NE-OE2 3.36Å; R337-E341 PolarHBondContact NE-OE2 3.07Å; R337-E341 IonicContact NH2-OE1 3.63Å; R337-E341 IonicContact NH2-OE2 2.73Å; R337-E341 PolarHBondContact NH2-OE2 3.14Å; R337-E341 WeakPolarHBondContact O-CB 3.14Å; R337-E341 PolarHBondContact O-N 2.9Å
338K70.2Confident65Low64 Ų6491.7 Ų91.728%0.27847%0.469SS..Hα-helixtrans-65.2-41.9176.8-72.9176.6-176.3169.50111.3L303 L306 E334 Y335 D340 E341 T342L303-K338 HydrophobicContact CD2-CB 4.37Å; L306-K338 HydrophobicContact CD1-CD 3.46Å; L306-K338 VanDerWaalsContact CD1-CD 3.46Å; L306-K338 HydrophobicContact CD2-CD 4.27Å; E334-K338 HydrophobicContact CG-CD 4.29Å; E334-K338 WeakPolarHBondContact O-CG 3.17Å; E334-K338 PolarHBondContact O-N 2.89Å; E334-K338 WeakPolarHBondContact OE1-CE 3.37Å; E334-K338 IonicContact OE1-NZ 2.62Å; E334-K338 PolarHBondContact OE1-NZ 3.4Å; Y335-K338 PolarHBondContact O-N 2.58Å; K338-D340 PolarHBondContact O-N 3.12Å; K338-E341 CarbonylContact O-C 3.53Å; K338-E341 WeakPolarHBondContact O-CA 3.24Å; K338-E341 WeakPolarHBondContact O-CB 3.32Å; K338-E341 PolarHBondContact O-N 2.9Å; K338-E341 VanDerWaalsContact O-N 3.12Å; K338-T342 WeakPolarHBondContact O-CG2 3.48Å; K338-T342 PolarHBondContact O-N 3.08Å
339L69.9Low64.6Low51 Ų5188.9 Ų88.927%0.26747%0.473SS..Hα-helixtrans-59.1-43.6176.2-175.168000112.8L303 Y335 Y336 E341 T342 L343L303-L339 HydrophobicContact CD1-CD1 3.9Å; L303-L339 HydrophobicContact CD2-CB 4.39Å; L303-L339 HydrophobicContact CD2-CD1 4.41Å; Y335-L339 HydrophobicContact CE1-CD2 4.28Å; Y335-L339 WeakPolarHBondContact O-CB 3.33Å; Y335-L339 PolarHBondContact O-N 2.79Å; Y336-L339 HydrophobicContact CD1-CD2 4.49Å; Y336-L339 PolarHBondContact O-N 3.32Å; L339-E341 VanDerWaalsContact C-N 3.32Å; L339-T342 PolarHBondContact O-N 3.46Å; L339-T342 PolarHBondContact O-OG1 2.86Å; L339-L343 HydrophobicContact CG-CD1 4.29Å; L339-L343 VanDerWaalsContact O-CG 3.29Å; L339-L343 WeakPolarHBondContact O-CG 3.44Å; L339-L343 PolarHBondContact O-N 2.63Å
340D72.5Confident64.4Low74 Ų7491.1 Ų91.140%0.39648%0.479SS..Hα-helixtrans-66.7-33.7174.8178.145.7000112Y336 R337 K338 K344Y336-D340 WeakPolarHBondContact O-CB 3.06Å; Y336-D340 PolarHBondContact O-N 3.14Å; R337-D340 PolarHBondContact O-N 2.86Å; K338-D340 PolarHBondContact O-N 3.12Å; D340-K344 WeakPolarHBondContact O-CB 3.24Å; D340-K344 WeakPolarHBondContact O-CD 3.42Å; D340-K344 VanDerWaalsContact O-CG 3.25Å; D340-K344 WeakPolarHBondContact O-CG 3.32Å; D340-K344 PolarHBondContact O-N 3.3Å; D340-K344 VanDerWaalsContact O-N 3.09Å; D340-K344 WeakPolarHBondContact OD1-CE 3.47Å; D340-K344 IonicContact OD1-NZ 3.05Å; D340-K344 PolarHBondContact OD1-NZ 3.09Å; D340-K344 IonicContact OD2-NZ 2.61Å; D340-K344 PolarHBondContact OD2-NZ 2.81Å
341E75.4Confident63.5Low106 Ų10690.7 Ų90.750%0.49548%0.481SS..Hα-helixtrans-69.1-35.7173.5-159.6162.5-178.500112.4R337 K338 L339 S345R337-E341 IonicContact CZ-OE2 3.48Å; R337-E341 IonicContact NE-OE2 3.36Å; R337-E341 PolarHBondContact NE-OE2 3.07Å; R337-E341 IonicContact NH2-OE1 3.63Å; R337-E341 IonicContact NH2-OE2 2.73Å; R337-E341 PolarHBondContact NH2-OE2 3.14Å; R337-E341 WeakPolarHBondContact O-CB 3.14Å; R337-E341 PolarHBondContact O-N 2.9Å; K338-E341 CarbonylContact O-C 3.53Å; K338-E341 WeakPolarHBondContact O-CA 3.24Å; K338-E341 WeakPolarHBondContact O-CB 3.32Å; K338-E341 PolarHBondContact O-N 2.9Å; K338-E341 VanDerWaalsContact O-N 3.12Å; L339-E341 VanDerWaalsContact C-N 3.32Å; E341-S345 PolarHBondContact O-N 2.93Å
342T67.9Low62.6Low8 Ų891 Ų915%0.04949%0.489CS..Hα-helixtrans-70.5-44.9172.277.20000111.9M299 L303 K338 L339 K344 S345 M346M299-T342 HydrophobicContact CE-CG2 3.67Å; M299-T342 HydrophobicContact CG-CG2 3.69Å; M299-T342 HydrophobicContact SD-CG2 3.47Å; M299-T342 WeakPolarHBondContact SD-CG2 3.41Å; L303-T342 HydrophobicContact CD1-CG2 3.83Å; L303-T342 HydrophobicContact CD2-CG2 4.37Å; L303-T342 HydrophobicContact CG-CG2 4.26Å; K338-T342 WeakPolarHBondContact O-CG2 3.48Å; K338-T342 PolarHBondContact O-N 3.08Å; L339-T342 PolarHBondContact O-N 3.46Å; L339-T342 PolarHBondContact O-OG1 2.86Å; T342-K344 VanDerWaalsContact C-N 3.27Å; T342-K344 PolarHBondContact O-N 3.26Å; T342-S345 PolarHBondContact O-N 3.5Å; T342-S345 PolarHBondContact O-OG 3.47Å; T342-M346 WeakPolarHBondContact O-CG 3.33Å; T342-M346 PolarHBondContact O-N 2.89Å
343L66.4Low61.4Low84 Ų8496.4 Ų96.444%0.4451%0.514SS..Hα-helixtrans-58.1-40.4177.8-73.3165.1000111.8L339 M346 N347L339-L343 HydrophobicContact CG-CD1 4.29Å; L339-L343 VanDerWaalsContact O-CG 3.29Å; L339-L343 WeakPolarHBondContact O-CG 3.44Å; L339-L343 PolarHBondContact O-N 2.63Å; L343-M346 HydrophobicContact CD2-CE 3.86Å; L343-M346 HydrophobicContact CG-CE 4.34Å; L343-N347 WeakPolarHBondContact O-CB 3.43Å; L343-N347 PolarHBondContact O-N 3.49Å
344K67.9Low59.7Low123 Ų12396.5 Ų96.554%0.53552%0.519SS..Hα-helixtrans-67.7-41.7176-74.9164.8-177.9164.60113D340 T342 N347 S348D340-K344 WeakPolarHBondContact O-CB 3.24Å; D340-K344 WeakPolarHBondContact O-CD 3.42Å; D340-K344 VanDerWaalsContact O-CG 3.25Å; D340-K344 WeakPolarHBondContact O-CG 3.32Å; D340-K344 PolarHBondContact O-N 3.3Å; D340-K344 VanDerWaalsContact O-N 3.09Å; D340-K344 WeakPolarHBondContact OD1-CE 3.47Å; D340-K344 IonicContact OD1-NZ 3.05Å; D340-K344 PolarHBondContact OD1-NZ 3.09Å; D340-K344 IonicContact OD2-NZ 2.61Å; D340-K344 PolarHBondContact OD2-NZ 2.81Å; T342-K344 VanDerWaalsContact C-N 3.27Å; T342-K344 PolarHBondContact O-N 3.26Å; K344-N347 PolarHBondContact O-N 3.49Å; K344-S348 WeakPolarHBondContact O-CB 3.44Å; K344-S348 PolarHBondContact O-N 2.73Å
345S66.3Low58.5Low57 Ų5797.4 Ų97.440%0.39954%0.535SS..Hα-helixtrans-66.5-43179.768.10000111.6E341 T342 N347 S348 G349E341-S345 PolarHBondContact O-N 2.93Å; T342-S345 PolarHBondContact O-N 3.5Å; T342-S345 PolarHBondContact O-OG 3.47Å; S345-N347 PolarHBondContact O-N 3.43Å; S345-S348 PolarHBondContact O-N 2.9Å; S345-S348 VanDerWaalsContact O-N 3.14Å; S345-S348 PolarHBondContact O-OG 3.04Å; S345-G349 PolarHBondContact O-N 3.45Å
346M62Low56.6Low72 Ų7299.8 Ų99.836%0.35557%0.566SS.*Hα-helixtrans-58.2-48.1175.1-67.3-175.8-66.200112.1M296 T342 L343 S348 G349M296-M346 HydrophobicContact CE-CG 4.4Å; M296-M346 HydrophobicContact CE-SD 3.42Å; M296-M346 WeakPolarHBondContact CE-SD 3.12Å; M296-M346 HydrophobicContact SD-CG 4.09Å; M296-M346 HydrophobicContact SD-SD 3.79Å; T342-M346 WeakPolarHBondContact O-CG 3.33Å; T342-M346 PolarHBondContact O-N 2.89Å; L343-M346 HydrophobicContact CD2-CE 3.86Å; L343-M346 HydrophobicContact CG-CE 4.34Å; M346-S348 PolarHBondContact O-N 3.5Å; M346-G349 PolarHBondContact O-N 3.08Å
347N61.9Low54.6Low147 Ų147100.8 Ų100.879%0.78658%0.581SS**Hα-helixtrans-68-15.4179.8-164.344.7000113.8L343 K344 S345L343-N347 WeakPolarHBondContact O-CB 3.43Å; L343-N347 PolarHBondContact O-N 3.49Å; K344-N347 PolarHBondContact O-N 3.49Å; S345-N347 PolarHBondContact O-N 3.43Å
348S55.5Low53.2Low84 Ų8499.1 Ų99.159%0.58759%0.591SS**Hα-helixtrans-91.3-11.9178.274.20000114.5K344 S345 M346K344-S348 WeakPolarHBondContact O-CB 3.44Å; K344-S348 PolarHBondContact O-N 2.73Å; S345-S348 PolarHBondContact O-N 2.9Å; S345-S348 VanDerWaalsContact O-N 3.14Å; S345-S348 PolarHBondContact O-OG 3.04Å; M346-S348 PolarHBondContact O-N 3.5Å
349G51.1Low51.6Low64 Ų64104.7 Ų104.766%0.6662%0.618SS**SBendtrans-80.5-14.3-173.300000115.8S345 M346S345-G349 PolarHBondContact O-N 3.45Å; M346-G349 PolarHBondContact O-N 3.08Å
350S49Very low49.8Very low105 Ų105114.3 Ų114.373%0.73465%0.651SS**  trans-99.517-163.1-52.60000116
351T35.1Very low48.2Very low112 Ų112122.2 Ų122.269%0.68768%0.675SS**  trans-111.7105.3175.955.30000112.1Q353T351-Q353 PolarHBondContact O-N 2.59Å
352P39.8Very low46.2Very low121 Ų121123.3 Ų123.379%0.78669%0.694SS**  trans-63.9126.5168.7-18.131.4000110.4T354P352-T354 PolarHBondContact O-N 2.86Å
353Q34Very low44.5Very low193 Ų193126 Ų12690%0.90272%0.724SS**  trans-82.6105.5171.5-70.3-170.80.100110.4T351T351-Q353 PolarHBondContact O-N 2.59Å
354T30.5Very low43.7Very low127 Ų127132.3 Ų132.378%0.77975%0.748SS**  trans-89133.6162.843.90000110.5P352P352-T354 PolarHBondContact O-N 2.86Å
355P40.1Very low42.2Very low131 Ų131135.2 Ų135.285%0.85176%0.764SS**  trans-87.9147.1-176.233.7-35000114.3
356G28.8Very low40.7Very low74 Ų74139.3 Ų139.376%0.76378%0.781SS**  trans95134.4-179.300000112.5
357D27.9Very low39.9Very low160 Ų160144.7 Ų144.786%0.85681%0.81SS**  cis-139.4162.913.9-112.3-36.3000111.9E359D357-E359 PolarHBondContact O-N 3.17Å
358P45.4Very low39.2Very low124 Ų124146.3 Ų146.381%0.80581%0.805SS**  trans-98.236.4-161.940-38.5000116.7
359E37Very low38.8Very low181 Ų181151.4 Ų151.485%0.84682%0.82SS**  trans-143.884.5-177.2-151.6167.6-131.400117.7D357D357-E359 PolarHBondContact O-N 3.17Å
360R31.9Very low38.8Very low253 Ų253152.8 Ų152.896%0.95581%0.811SS**  trans-170.5124.3135.9-104.9160.2-168.4-156.71.6112.5
361R37.8Very low39.1Very low241 Ų241155.4 Ų155.491%0.90982%0.823SS**  trans-89.9160.8170.6-79.2-179.2170.3176-2111.4
362S34.6Very low39.9Very low128 Ų128153.3 Ų153.390%0.89581%0.807SS**  trans71.999.1162.1-57.70000117.5
363G31.4Very low41Very low66 Ų66153 Ų15368%0.6881%0.805SS**  trans174.3102163.500000112.3Q365G363-Q365 PolarHBondContact O-N 3.07Å; G363-Q365 VanDerWaalsContact O-N 3.12Å
364K48.8Very low42.1Very low215 Ų215150.3 Ų150.394%0.93580%0.797SS**  trans-71.3102.2165.7-74.3-177177.4-179.30107.9
365Q36.7Very low43.7Very low185 Ų185148.1 Ų148.186%0.86478%0.78SS**  trans-104.2151171.3-66.1-166.2-11.300110.6G363G363-Q365 PolarHBondContact O-N 3.07Å; G363-Q365 VanDerWaalsContact O-N 3.12Å
366N35.4Very low44.5Very low142 Ų142149.9 Ų149.976%0.75978%0.779SS**  trans-92.4142.8-159.4-58.3-75.9000111.7R368N366-R368 PolarHBondContact O-N 3.04Å
367L46.1Very low45.9Very low186 Ų186152.9 Ų152.997%0.97478%0.776SS**SBendtrans-67.278.6168.2-75.2163.7000110.7
368R46.8Very low47.3Very low180 Ų180150.9 Ų150.968%0.67978%0.775SS**  trans-147.227.8176-80.8-159.7172.8-176.7-2.3113.7N366N366-R368 PolarHBondContact O-N 3.04Å
369E47Very low47.9Very low192 Ų192146.9 Ų146.990%0.89775%0.752SS**  trans-74.4126.8161.6-69-172.9135.100109.1
370L50Low48.9Very low92 Ų92144.2 Ų144.248%0.48275%0.751SS.*  trans-70.1151.9169.4-88.963.4000108.9N372 A379L370-N372 PolarHBondContact O-N 3Å; L370-A379 HydrophobicContact CD1-CB 3.78Å
371V55.8Low49.9Very low160 Ų160140 Ų14097%0.9774%0.742SS**SBendtrans-7330.4-175.5-1570000113.2
372N51.9Low50.6Low69 Ų69138.1 Ų138.137%0.36974%0.735SS.*  trans-152.5107.8173.6-176.2-9.4000110.4L370 N374 I375L370-N372 PolarHBondContact O-N 3Å; N372-N374 PolarHBondContact O-N 2.86Å; N372-N374 VanDerWaalsContact O-N 3.09Å; N372-N374 WeakPolarHBondContact OD1-CB 3.33Å; N372-N374 PolarHBondContact OD1-N 2.89Å; N372-N374 PolarHBondContact OD1-ND2 3.48Å; N372-I375 HydrophobicContact CB-CD1 3.96Å; N372-I375 HydrophobicContact CB-CG1 4.1Å; N372-I375 PolarHBondContact O-N 2.99Å
373P61.9Low51.6Low114 Ų114137.2 Ų137.274%0.7472%0.724SS**THydrogen-bonded Turntrans-69.9-5-176.629.2-35.9000114.4
374N59.2Low52.3Low137 Ų137139 Ų13973%0.73372%0.717SS**THydrogen-bonded Turntrans-89.6-4.9176.9-60.6-76.2000113.6N372 M376N372-N374 PolarHBondContact O-N 2.86Å; N372-N374 VanDerWaalsContact O-N 3.09Å; N372-N374 WeakPolarHBondContact OD1-CB 3.33Å; N372-N374 PolarHBondContact OD1-N 2.89Å; N372-N374 PolarHBondContact OD1-ND2 3.48Å; N374-M376 PolarHBondContact O-N 2.95Å
375I62.5Low52.4Low80 Ų80136.8 Ų136.841%0.4171%0.714SS.*  trans-88.987.6179.1-57.7-179.3000109.3N372 L377N372-I375 HydrophobicContact CB-CD1 3.96Å; N372-I375 HydrophobicContact CB-CG1 4.1Å; N372-I375 PolarHBondContact O-N 2.99Å; I375-L377 HydrophobicContact CG2-CB 4Å; I375-L377 HydrophobicContact CG2-CD1 4.33Å; I375-L377 HydrophobicContact CG2-CG 4.3Å; I375-L377 PolarHBondContact O-N 3.4Å
376M57.4Low52.6Low168 Ų168130.7 Ų130.783%0.82870%0.702SS**  trans-76.950.7174.8-64.9-66.8165.200112.1N374N374-M376 PolarHBondContact O-N 2.95Å
377L57.8Low52.7Low137 Ų137127.4 Ų127.472%0.71770%0.701SS**SBendtrans-125.9130.9174.8-64.3174.6000108.8I375 A379I375-L377 HydrophobicContact CG2-CB 4Å; I375-L377 HydrophobicContact CG2-CD1 4.33Å; I375-L377 HydrophobicContact CG2-CG 4.3Å; I375-L377 PolarHBondContact O-N 3.4Å; L377-A379 PolarHBondContact O-N 2.93Å
378S58.7Low52.3Low118 Ų118130.2 Ų130.283%0.82570%0.699SS**PPolyproline II helixtrans-59.9130.3171.650.30000110.1
379A56.4Low52Low40 Ų40130.9 Ų130.933%0.33171%0.709SS.*PPolyproline II helixtrans-51.6129.4178.800000110.5L370 L377 E381L370-A379 HydrophobicContact CD1-CB 3.78Å; L377-A379 PolarHBondContact O-N 2.93Å; A379-E381 PolarHBondContact O-N 3Å
380P58.4Low51.5Low125 Ų125133.2 Ų133.281%0.81271%0.71SS**PPolyproline II helixtrans-61.3125.8-173.123.3-33.2000110.9
381E52.6Low50.8Low165 Ų165137.6 Ų137.677%0.77173%0.728SS**PPolyproline II helixtrans-79132.3176.4-173.5157.9-140.900110.2A379 V383A379-E381 PolarHBondContact O-N 3Å; E381-V383 PolarHBondContact O-N 3.08Å
382W53.2Low49.8Very low202 Ų202140.2 Ų140.277%0.76573%0.726SS**PPolyproline II helixtrans-77.9116.2178.6179.983.9000109.7D384W382-D384 HydrophobicContact CE3-CB 4.28Å; W382-D384 HydrophobicContact CH2-CB 3.64Å; W382-D384 WeakPolarHBondContact CH2-OD2 3.38Å; W382-D384 HydrophobicContact CZ2-CB 4.43Å; W382-D384 HydrophobicContact CZ3-CB 3.54Å
383V55.4Low48.9Very low108 Ų108145.5 Ų145.566%0.65575%0.749SS**PPolyproline II helixtrans-102.5119.5-179.4-1790000109.7E381 I385E381-V383 PolarHBondContact O-N 3.08Å; V383-I385 HydrophobicContact CG1-CG1 4.27Å; V383-I385 PolarHBondContact O-N 2.67Å; V383-I385 VanDerWaalsContact O-N 3.14Å
384D46Very low47.5Very low103 Ų103146.1 Ų146.155%0.55175%0.753SS**  trans-81.188.6-176.2-159.2-6.3000111.4W382 G386W382-D384 HydrophobicContact CE3-CB 4.28Å; W382-D384 HydrophobicContact CH2-CB 3.64Å; W382-D384 WeakPolarHBondContact CH2-OD2 3.38Å; W382-D384 HydrophobicContact CZ2-CB 4.43Å; W382-D384 HydrophobicContact CZ3-CB 3.54Å; D384-G386 PolarHBondContact O-N 2.75Å
385I51.5Low46.5Very low169 Ų169148.7 Ų148.787%0.86776%0.763SS**SBendtrans-79.862.4178.3-48.6-177000109.8V383V383-I385 HydrophobicContact CG1-CG1 4.27Å; V383-I385 PolarHBondContact O-N 2.67Å; V383-I385 VanDerWaalsContact O-N 3.14Å
386G40Very low45.4Very low58 Ų58153.7 Ų153.760%0.59878%0.784SS**SBendtrans-163.944.7-17200000112.5D384D384-G386 PolarHBondContact O-N 2.75Å
387G38.6Very low44.5Very low72 Ų72155.1 Ų155.174%0.74279%0.789SS**  trans-61.9135.2-155.100000117.9
388R36.5Very low43.5Very low246 Ų246158.7 Ų158.793%0.92879%0.793SS**  trans-154.9125.4135-106.2172.4-166-120.61.8109.5R390R388-R390 PolarHBondContact O-N 3.44Å
389E41.5Very low42.4Very low193 Ų193161.6 Ų161.690%0.90279%0.791SS**  trans-59.1135.9178.9-62.6-173.6127.100111.9
390R36.9Very low41.3Very low241 Ų241166.9 Ų166.991%0.90981%0.813SS**  trans-133.5115.2160-76.1-168.4169.5-145-2.7109.2R388R388-R390 PolarHBondContact O-N 3.44Å
391Q35.4Very low40.2Very low185 Ų185167.6 Ų167.686%0.86481%0.809SS**  trans-61.3144.9176.1-66.7175.7-12.100110.6Q393Q391-Q393 PolarHBondContact O-N 3.18Å
392K34.9Very low39.3Very low214 Ų214164.1 Ų164.193%0.9380%0.8SS**  trans-69.5124.5-178.8-63.6174.9-178.5173.50110.1
393Q31.8Very low38.4Very low180 Ų180162.6 Ų162.684%0.84180%0.801SS**  trans-123159.5164.4-77.5-165.6-6.200110.7Q391Q391-Q393 PolarHBondContact O-N 3.18Å
394P33Very low37.6Very low127 Ų127165.7 Ų165.783%0.82581%0.809SS**  trans-67.3159.6-168.8-22.836000115.8E396P394-E396 PolarHBondContact O-N 3.08Å
395M38.8Very low37.1Very low192 Ų192167.9 Ų167.995%0.94681%0.813SS**SBendtrans-90.952.4-165.7-169.8174.4160.900114.2
396E39.4Very low36.2Very low185 Ų185161.4 Ų161.486%0.86479%0.788SS**SBendtrans-135.751.6174.8-73.6-149.1149.700114.8P394P394-E396 PolarHBondContact O-N 3.08Å
397Q37.8Very low36Very low198 Ų198160.8 Ų160.893%0.92578%0.781SS**SBendtrans-162.857.1162-116.1160.857.200113.2
398R37.2Very low36Very low212 Ų212163.5 Ų163.580%0.878%0.775SS**  trans-143.653.3-176.2-149.9176.2-172-171.30.2115.2
399K35.3Very low36.1Very low179 Ų179158.5 Ų158.578%0.77876%0.762SS**SBendtrans-107.2-20.6169.3-76.5-171.9172.5-178.10115
400N33.6Very low36.1Very low151 Ų151159.1 Ų159.181%0.80776%0.756SS**SBendtrans-105.624.5-169.1-59.432.3000114.1
401L35Very low36.4Very low139 Ų139152.5 Ų152.573%0.72874%0.735SS**SBendtrans-137.78.7-178.4-74.4175.6000114
402T32.7Very low36.8Very low92 Ų92154.2 Ų154.256%0.56473%0.734SS**SBendtrans-106-13.1-177.235.50000114
403E35.4Very low37.1Very low170 Ų170150.9 Ų150.979%0.79473%0.726SS**Hα-helixtrans-78.7-43.2-178.9-62.4-173.5126.300112.4K405 G406E403-K405 PolarHBondContact O-N 3.08Å; E403-G406 PolarHBondContact O-N 3.48Å
404E37.9Very low37.8Very low174 Ų174150.6 Ų150.681%0.81372%0.717SS**Hα-helixtrans-53.7-49.3178.6-73.8-84.8104.800112.7G406 G407E404-G406 VanDerWaalsContact C-N 3.33Å; E404-G406 PolarHBondContact O-N 3.11Å; E404-G407 PolarHBondContact O-N 2.96Å
405K36.3Very low38.4Very low148 Ų148153 Ų15364%0.64372%0.722SS**Hα-helixtrans-72.2-23.2-177.5-73.8-154.9166.3-150.30114.3E403 G407 E408E403-K405 PolarHBondContact O-N 3.08Å; K405-G407 PolarHBondContact O-N 3.1Å; K405-E408 PolarHBondContact O-N 3.11Å
406G32.6Very low38.9Very low33 Ų33147.9 Ų147.934%0.3470%0.696SS.*Hα-helixtrans-63.6-20.6175.600000113.3E403 E404 R410E403-G406 PolarHBondContact O-N 3.48Å; E404-G406 VanDerWaalsContact C-N 3.33Å; E404-G406 PolarHBondContact O-N 3.11Å; G406-R410 WeakPolarHBondContact O-CB 3.44Å; G406-R410 WeakPolarHBondContact O-CD 3.06Å; G406-R410 WeakPolarHBondContact O-CG 3.31Å
407G35.8Very low39.7Very low45 Ų45144 Ų14446%0.46468%0.681SS.*Hα-helixtrans-72.3-38.6174.400000113.8E404 K405 H411E404-G407 PolarHBondContact O-N 2.96Å; K405-G407 PolarHBondContact O-N 3.1Å; G407-H411 PolarHBondContact O-N 3.12Å
408E38.2Very low40.6Very low129 Ų129141 Ų14160%0.60367%0.665SS**Hα-helixtrans-71.4-46-173.7-60.9-169.7118.300112.2K405 H411K405-E408 PolarHBondContact O-N 3.11Å; E408-H411 WeakPolarHBondContact O-CB 3.46Å; E408-H411 PolarHBondContact O-N 2.82Å
409E39.2Very low41.7Very low141 Ų141137.7 Ų137.766%0.65966%0.658SS**Hα-helixtrans-73.2-37.6-178.1-65.5-170.4140.300112.5H411 R412 L413E409-H411 PolarHBondContact O-N 2.82Å; E409-H411 VanDerWaalsContact O-N 3.17Å; E409-R412 PolarHBondContact O-N 3.32Å; E409-L413 PolarHBondContact O-N 2.81Å
410R40.8Very low42.8Very low206 Ų206134.2 Ų134.278%0.77765%0.648SS**Hα-helixtrans-59.7-25.3171-78.3-179.8164.5175.1-5.3112.7G406 R412G406-R410 WeakPolarHBondContact O-CB 3.44Å; G406-R410 WeakPolarHBondContact O-CD 3.06Å; G406-R410 WeakPolarHBondContact O-CG 3.31Å; R410-R412 VanDerWaalsContact C-N 3.3Å
411H42.9Very low44Very low103 Ų103129.2 Ų129.248%0.47762%0.619SS.*THydrogen-bonded Turntrans-77.3-13.9175.3-141.8-56.6000113.7G407 E408 E409G407-H411 PolarHBondContact O-N 3.12Å; E408-H411 WeakPolarHBondContact O-CB 3.46Å; E408-H411 PolarHBondContact O-N 2.82Å; E409-H411 PolarHBondContact O-N 2.82Å; E409-H411 VanDerWaalsContact O-N 3.17Å
412R44.1Very low45.1Very low220 Ų220126.2 Ų126.283%0.8360%0.602SS**THydrogen-bonded Turntrans-94.5-27175.4-54.4-177.686.6173.66.2113.2E409 R410 R414E409-R412 PolarHBondContact O-N 3.32Å; R410-R412 VanDerWaalsContact C-N 3.3Å; R412-R414 VanDerWaalsContact C-N 3.25Å; R412-R414 PolarHBondContact O-N 2.9Å
413L41.8Very low46.5Very low145 Ų145127.9 Ų127.976%0.75961%0.606SS**SBendtrans-78.1-6.2177.7-67173.9000113.9E409 L415E409-L413 PolarHBondContact O-N 2.81Å; L413-L415 PolarHBondContact O-N 2.9Å
414R46.2Very low48Very low174 Ų174123.7 Ų123.766%0.65760%0.595SS**  trans-77.890.3174.1-158.9179.3-161.3160.87.7109.5R412 Q416R412-R414 VanDerWaalsContact C-N 3.25Å; R412-R414 PolarHBondContact O-N 2.9Å; R414-Q416 HydrophobicContact CG-CG 4.01Å; R414-Q416 PolarHBondContact O-N 3.46Å
415L45.1Very low50Low178 Ų178116.1 Ų116.193%0.93256%0.56SS**  trans-59.482.1169.8-79.7164.8000110.6L413 D417L413-L415 PolarHBondContact O-N 2.9Å; L415-D417 PolarHBondContact O-N 2.66Å
416Q49.3Very low52.2Low84 Ų84110.5 Ų110.539%0.39355%0.545SS..  trans-87.699168.2-66.1-165.3-36.800107.3R414 K418R414-Q416 HydrophobicContact CG-CG 4.01Å; R414-Q416 PolarHBondContact O-N 3.46Å; Q416-K418 PolarHBondContact O-N 3.13Å; Q416-K418 VanDerWaalsContact O-N 3.08Å
417D55.9Low55Low104 Ų104109 Ų10956%0.55653%0.528SS*.  trans-60115178.8-142.6-21.3000109.2L415 E419 L420 Q421L415-D417 PolarHBondContact O-N 2.66Å; D417-E419 PolarHBondContact O-N 2.85Å; D417-L420 HydrophobicContact CB-CB 4.1Å; D417-L420 HydrophobicContact CB-CD1 3.86Å; D417-L420 HydrophobicContact CB-CG 4.17Å; D417-L420 PolarHBondContact O-N 3.02Å; D417-Q421 PolarHBondContact O-N 3.41Å; D417-Q421 VanDerWaalsContact O-N 3.14Å
418K56.9Low57.8Low134 Ų134112 Ų11258%0.58353%0.526SS*.Hα-helixtrans-58.3-39.6-171.5178.6-175.2167.7-167.60110.7Q416 Q421 E422Q416-K418 PolarHBondContact O-N 3.13Å; Q416-K418 VanDerWaalsContact O-N 3.08Å; K418-Q421 PolarHBondContact O-N 3.28Å; K418-E422 WeakPolarHBondContact CE-OE1 3.33Å; K418-E422 IonicContact NZ-OE1 3.22Å; K418-E422 WeakPolarHBondContact O-CG 3.4Å; K418-E422 PolarHBondContact O-N 2.73Å
419E60.2Low60.5Low142 Ų142105.9 Ų105.966%0.66450%0.497SS*.Hα-helixtrans-62.3-42.7176.9-58.7-169175.500111.4D417 Q421 E422 I423D417-E419 PolarHBondContact O-N 2.85Å; E419-Q421 VanDerWaalsContact C-N 3.33Å; E419-Q421 PolarHBondContact O-N 2.74Å; E419-E422 PolarHBondContact O-N 3.4Å; E419-I423 WeakPolarHBondContact O-CB 3.46Å; E419-I423 WeakPolarHBondContact O-CD1 3.3Å; E419-I423 WeakPolarHBondContact O-CG1 3.36Å; E419-I423 PolarHBondContact O-N 3.16Å
420L59.9Low63.2Low107 Ų10799.2 Ų99.256%0.5647%0.466SS*.Hα-helixtrans-65-34.1177.1-76.9170000112.6D417 S424D417-L420 HydrophobicContact CB-CB 4.1Å; D417-L420 HydrophobicContact CB-CD1 3.86Å; D417-L420 HydrophobicContact CB-CG 4.17Å; D417-L420 PolarHBondContact O-N 3.02Å; L420-S424 VanDerWaalsContact O-CB 3.26Å; L420-S424 WeakPolarHBondContact O-CB 3.39Å; L420-S424 PolarHBondContact O-N 3.03Å; L420-S424 PolarHBondContact O-OG 2.8Å
421Q56.9Low65.8Low45 Ų4590 Ų9021%0.2143%0.434CS..Hα-helixtrans-73.7-30.8172.8-83.2-179.3-17.700113.7D417 K418 E419D417-Q421 PolarHBondContact O-N 3.41Å; D417-Q421 VanDerWaalsContact O-N 3.14Å; K418-Q421 PolarHBondContact O-N 3.28Å; E419-Q421 VanDerWaalsContact C-N 3.33Å; E419-Q421 PolarHBondContact O-N 2.74Å
422E59.2Low68.2Low76 Ų7685.4 Ų85.436%0.35541%0.412SS..Hα-helixtrans-77.1-28.4174.9-71179.9178.800112.2K418 E419 N505K418-E422 WeakPolarHBondContact CE-OE1 3.33Å; K418-E422 IonicContact NZ-OE1 3.22Å; K418-E422 WeakPolarHBondContact O-CG 3.4Å; K418-E422 PolarHBondContact O-N 2.73Å; E419-E422 PolarHBondContact O-N 3.4Å; E422-N505 PolarHBondContact OE1-ND2 3.06Å
423I61.5Low70.6Confident128 Ų12879.4 Ų79.466%0.65639%0.394SS*.Hα-helixtrans-73.2-43.1171-69162.1000111.7E419 D425E419-I423 WeakPolarHBondContact O-CB 3.46Å; E419-I423 WeakPolarHBondContact O-CD1 3.3Å; E419-I423 WeakPolarHBondContact O-CG1 3.36Å; E419-I423 PolarHBondContact O-N 3.16Å; I423-D425 PolarHBondContact O-N 3.43Å
424S67.4Low73.1Confident81 Ų8172.6 Ų72.657%0.56636%0.358SS*.  trans-87.159.1-170.459.20000114.9L420 G426L420-S424 VanDerWaalsContact O-CB 3.26Å; L420-S424 WeakPolarHBondContact O-CB 3.39Å; L420-S424 PolarHBondContact O-N 3.03Å; L420-S424 PolarHBondContact O-OG 2.8Å; S424-G426 PolarHBondContact O-N 3.46Å
425D80.6Confident75.4Confident16 Ų1664.3 Ų64.39%0.08633%0.326CS..  trans-62.596.3169.6173.210.6000111.3I423 G427 R459 W461 H560 K564I423-D425 PolarHBondContact O-N 3.43Å; D425-G427 VanDerWaalsContact C-N 3.35Å; D425-G427 WeakPolarHBondContact OD1-CA 3.38Å; D425-G427 PolarHBondContact OD1-N 3.27Å; D425-R459 HydrophobicContact CB-CB 4.41Å; D425-R459 WeakPolarHBondContact OD2-CD 3.49Å; D425-R459 IonicContact OD2-NE 2.64Å; D425-W461 PolarHBondContact OD1-NE1 2.87Å; D425-W461 WeakPolarHBondContact OD2-CZ2 3.25Å; D425-W461 PolarHBondContact OD2-NE1 3.06Å; D425-W461 VanDerWaalsContact OD2-NE1 3.14Å; D425-H560 PolarHBondContact O-CE1 2.73Å; D425-H560 IonicContact OD1-CD2 3.93Å; D425-H560 IonicContact OD1-CE1 2.58Å; D425-H560 IonicContact OD1-NE2 2.89Å; D425-H560 PolarHBondContact OD1-NE2 3.31Å; D425-H560 IonicContact OD2-CD2 3.78Å; D425-H560 IonicContact OD2-NE2 3.92Å; D425-H560 PolarHBondContact OD2-NE2 3.21Å; D425-K564 VanDerWaalsContact CG-CE 3.41Å; D425-K564 PolarHBondContact O-NZ 2.89Å; D425-K564 WeakPolarHBondContact OD2-CE 3.25Å; D425-K564 IonicContact OD2-NZ 3.38Å
426G82.6Confident77.7Confident30 Ų3060.2 Ų60.231%0.30930%0.299SS..  trans-84.35.6177.200000115.5S424 K554S424-G426 PolarHBondContact O-N 3.46Å; G426-K554 VanDerWaalsContact O-CE 3.24Å; G426-K554 WeakPolarHBondContact O-CE 3.45Å
427G90.9Very high79.8Confident0 Ų056.2 Ų56.20%028%0.28CS..  trans78.628.4172.800000115D425 L555 H560D425-G427 VanDerWaalsContact C-N 3.35Å; D425-G427 WeakPolarHBondContact OD1-CA 3.38Å; D425-G427 PolarHBondContact OD1-N 3.27Å; G427-L555 WeakPolarHBondContact O-CB 3.48Å; G427-L555 WeakPolarHBondContact O-CG 3.3Å; G427-L555 PolarHBondContact O-N 3.16Å; G427-H560 WeakPolarHBondContact CA-CE1 3.06Å; G427-H560 WeakPolarHBondContact CA-NE2 3.48Å; G427-H560 PolarHBondContact N-CE1 3.36Å; G427-H560 VanDerWaalsContact N-CE1 3.26Å; G427-H560 PolarHBondContact N-NE2 2.77Å
428W94Very high81.6Confident109 Ų10951.5 Ų51.541%0.41326%0.255SS..EExtended strand (participates in β ladder)trans-72.1135.3173.8-63.8114.1000111.1H456 L460 W461 I552 K554W428-H456 WeakPolarHBondContact CB-NE2 3.16Å; W428-H456 AromaticContact CD1-CD2 3.51Å; W428-H456 AromaticContact CD1-NE2 3.22Å; W428-H456 AromaticContact CG-CD2 3.68Å; W428-H456 AromaticContact CG-NE2 3.52Å; W428-L460 HydrophobicContact CB-CD1 4.13Å; W428-W461 WeakPolarHBondContact O-CB 3.27Å; W428-W461 VanDerWaalsContact O-CD1 3.28Å; W428-W461 PolarHBondContact O-N 2.85Å; W428-I552 HydrophobicContact CB-CG2 3.92Å; W428-I552 HydrophobicContact CD2-CG2 4.29Å; W428-I552 HydrophobicContact CE3-CG2 3.86Å; W428-I552 HydrophobicContact CG-CG2 4.36Å; W428-K554 HydrophobicContact CE3-CB 4.06Å; W428-K554 HydrophobicContact CZ3-CB 3.91Å
429C95.2Very high83.3Confident0 Ų045.1 Ų45.10%023%0.227CC..EExtended strand (participates in β ladder)trans-127.1140.8179178.10000111.6W461 I552 W553 L555C429-W461 CarbonylContact C-O 3.45Å; C429-W461 WeakPolarHBondContact CA-O 2.94Å; C429-W461 HydrophobicContact CB-CB 3.96Å; C429-W461 PolarHBondContact SG-O 3.26Å; C429-I552 CarbonylContact O-C 3.56Å; C429-I552 WeakPolarHBondContact O-CA 3.31Å; C429-W553 HydrophobicContact CB-CD2 4.47Å; C429-W553 HydrophobicContact CB-CZ2 4.48Å; C429-W553 PolarHBondContact N-O 3.23Å; C429-W553 PolarHBondContact O-N 3.18Å; C429-L555 HydrophobicContact CB-CD1 4.42Å; C429-L555 HydrophobicContact CB-CD2 3.71Å; C429-L555 HydrophobicContact CB-CG 3.8Å
430L95.9Very high84.9Confident1 Ų138.4 Ų38.41%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-108.8137.7165.5-178.360.7000110E448 W452 L460 W461 I462 A463 F532 I552L430-E448 HydrophobicContact CD2-CG 3.93Å; L430-W452 HydrophobicContact CD1-CZ2 4.36Å; L430-L460 HydrophobicContact CB-CD1 4.2Å; L430-L460 HydrophobicContact CB-CD2 3.94Å; L430-L460 HydrophobicContact CB-CG 4.2Å; L430-L460 HydrophobicContact CD2-CD2 4.25Å; L430-W461 PolarHBondContact N-O 3.46Å; L430-I462 HydrophobicContact CB-CD1 4.35Å; L430-A463 PolarHBondContact O-N 3.26Å; L430-A463 VanDerWaalsContact O-N 3.09Å; L430-F532 HydrophobicContact CD2-CD2 4.4Å; L430-F532 HydrophobicContact CD2-CE2 4.23Å; L430-I552 HydrophobicContact CB-CG1 4.17Å; L430-I552 HydrophobicContact CD1-CG1 4.13Å
431S95.4Very high86.4Confident14 Ų1433.4 Ų33.410%0.09817%0.17CC..EExtended strand (participates in β ladder)trans-102.1135173.7-56.90000110.9R450 A463 G548 K549 W553S431-R450 PolarHBondContact O-NH2 3.21Å; S431-A463 WeakPolarHBondContact CA-O 3.44Å; S431-G548 WeakPolarHBondContact OG-CA 3.43Å; S431-K549 PolarHBondContact OG-N 3.44Å; S431-W553 PolarHBondContact OG-NE1 3.43Å
432M93.7Very high88Confident5 Ų534.3 Ų34.33%0.02517%0.173CC..EExtended strand (participates in β ladder)trans-144.6154.2-173.728.3166.545.500111.8A437 L440 E448 I462 A463 A465M432-A437 HydrophobicContact CB-CB 4.25Å; M432-A437 HydrophobicContact CG-CB 3.75Å; M432-A437 VanDerWaalsContact SD-CA 3.53Å; M432-A437 HydrophobicContact SD-CB 3.85Å; M432-L440 HydrophobicContact CE-CD2 3.52Å; M432-L440 HydrophobicContact SD-CB 4.35Å; M432-L440 HydrophobicContact SD-CD2 3.74Å; M432-E448 HydrophobicContact CE-CB 4.31Å; M432-E448 HydrophobicContact CE-CG 3.87Å; M432-E448 WeakPolarHBondContact CE-OE1 3.39Å; M432-E448 VanDerWaalsContact CE-OE2 3.31Å; M432-E448 WeakPolarHBondContact CE-OE2 3.25Å; M432-I462 HydrophobicContact CG-CG2 3.91Å; M432-I462 HydrophobicContact SD-CD1 4.23Å; M432-I462 HydrophobicContact SD-CG2 3.44Å; M432-I462 WeakPolarHBondContact SD-CG2 3.45Å; M432-A463 PolarHBondContact N-O 3.49Å; M432-A465 WeakPolarHBondContact O-CB 3.34Å; M432-A465 PolarHBondContact O-N 2.9Å
433H93.7Very high89.4Confident95 Ų9531.8 Ų31.844%0.4417%0.168SC..  trans-77.6147.8-179.7-66.4-77.1000111.5W436 A437H433-W436 HydrophobicContact CB-CE3 4.27Å; H433-W436 HydrophobicContact CB-CZ3 4.32Å; H433-W436 PolarHBondContact O-N 2.8Å; H433-A437 PolarHBondContact O-N 3.17Å; H433-A437 VanDerWaalsContact O-N 3.09Å
434Q94.4Very high90.8Very high1 Ų126.3 Ų26.31%0.00514%0.139CC..THydrogen-bonded Turntrans-73.8150.8164.4-66-6820.300109.5S438 A464 P469 P496 T497Q434-S438 PolarHBondContact NE2-OG 3.27Å; Q434-S438 PolarHBondContact OE1-OG 3.43Å; Q434-A464 HydrophobicContact CG-CB 4.15Å; Q434-P469 HydrophobicContact CB-CB 4.37Å; Q434-P469 HydrophobicContact CB-CG 3.85Å; Q434-P496 PolarHBondContact NE2-O 3.48Å; Q434-T497 HydrophobicContact CG-CG2 4.34Å
435P94.1Very high91.9Very high0 Ų023 Ų230%012%0.115CC..THydrogen-bonded Turncis-78.3-18.34.731-36.2000115.4A437 S438 L439 I474 V477 Y495P435-A437 PolarHBondContact O-N 3.33Å; P435-A437 VanDerWaalsContact O-N 3.08Å; P435-S438 PolarHBondContact O-N 2.9Å; P435-L439 HydrophobicContact CB-CD1 4.4Å; P435-L439 WeakPolarHBondContact O-CG 3.3Å; P435-L439 PolarHBondContact O-N 2.93Å; P435-I474 HydrophobicContact CB-CG1 4.39Å; P435-V477 HydrophobicContact CG-CB 3.81Å; P435-V477 HydrophobicContact CG-CG1 3.92Å; P435-V477 HydrophobicContact CG-CG2 3.96Å; P435-Y495 HydrophobicContact CB-CD1 3.7Å; P435-Y495 HydrophobicContact CB-CE1 3.45Å; P435-Y495 VanDerWaalsContact CB-CE1 3.45Å; P435-Y495 HydrophobicContact CB-CG 4.49Å
436W93.1Very high92.3Very high92 Ų9227.6 Ų27.635%0.34813%0.131SC..Hα-helixtrans-56.4-31.5-171.6-56.5-76.4000114.6H433 L439 L440 K445 V477H433-W436 HydrophobicContact CB-CE3 4.27Å; H433-W436 HydrophobicContact CB-CZ3 4.32Å; H433-W436 PolarHBondContact O-N 2.8Å; W436-L439 PolarHBondContact O-N 3.23Å; W436-L440 PolarHBondContact O-N 3.17Å; W436-K445 HydrophobicContact CB-CD 4.08Å; W436-K445 HydrophobicContact CG-CD 4.38Å; W436-V477 HydrophobicContact CZ2-CG2 3.79Å
437A94.6Very high92.8Very high0 Ų026.4 Ų26.40%012%0.118CC..Hα-helixtrans-63.3-42.8179.300000113.7M432 H433 P435 V441 L501M432-A437 HydrophobicContact CB-CB 4.25Å; M432-A437 HydrophobicContact CG-CB 3.75Å; M432-A437 VanDerWaalsContact SD-CA 3.53Å; M432-A437 HydrophobicContact SD-CB 3.85Å; H433-A437 PolarHBondContact O-N 3.17Å; H433-A437 VanDerWaalsContact O-N 3.09Å; P435-A437 PolarHBondContact O-N 3.33Å; P435-A437 VanDerWaalsContact O-N 3.08Å; A437-V441 PolarHBondContact O-N 2.92Å; A437-L501 VanDerWaalsContact C-CD1 3.44Å; A437-L501 HydrophobicContact CB-CD1 3.7Å; A437-L501 WeakPolarHBondContact O-CD1 3.48Å
438S93.6Very high92.8Very high5 Ų527 Ų274%0.03512%0.121CC..Hα-helixtrans-69.6-38171.7-68.50000111.8Q434 P435 L440 V441 K442Q434-S438 PolarHBondContact NE2-OG 3.27Å; Q434-S438 PolarHBondContact OE1-OG 3.43Å; P435-S438 PolarHBondContact O-N 2.9Å; S438-L440 VanDerWaalsContact C-N 3.34Å; S438-L440 PolarHBondContact O-N 3.1Å; S438-V441 PolarHBondContact O-N 2.93Å; S438-K442 WeakPolarHBondContact O-CG 3.38Å; S438-K442 PolarHBondContact O-N 2.87Å
439L92.7Very high92.7Very high0 Ų022.6 Ų22.60%011%0.108CC..Hα-helixtrans-64-37.4-179.4-60.9177.3000112.4P435 W436 G443 I444 K445 V477 Y481 F491 Y495P435-L439 HydrophobicContact CB-CD1 4.4Å; P435-L439 WeakPolarHBondContact O-CG 3.3Å; P435-L439 PolarHBondContact O-N 2.93Å; W436-L439 PolarHBondContact O-N 3.23Å; L439-G443 PolarHBondContact O-N 3.1Å; L439-G443 VanDerWaalsContact O-N 3.15Å; L439-I444 HydrophobicContact CB-CB 4.3Å; L439-I444 HydrophobicContact CD2-CB 4.29Å; L439-I444 HydrophobicContact CD2-CD1 3.85Å; L439-I444 HydrophobicContact CD2-CG2 4.35Å; L439-I444 PolarHBondContact O-N 3.22Å; L439-K445 HydrophobicContact CB-CB 3.97Å; L439-K445 PolarHBondContact O-N 3.33Å; L439-V477 HydrophobicContact CD1-CG1 3.56Å; L439-Y481 HydrophobicContact CD1-CD2 3.86Å; L439-Y481 HydrophobicContact CD1-CE2 3.91Å; L439-F491 HydrophobicContact CD2-CD1 3.75Å; L439-F491 HydrophobicContact CD2-CE1 4.03Å; L439-Y495 HydrophobicContact CD2-CE1 4.35Å; L439-Y495 HydrophobicContact CG-CE1 4.45Å
440L93.2Very high92.6Very high2 Ų225 Ų251%0.0112%0.117CC..Hα-helixtrans-68-42.7176.117859.9000111.7M432 W436 S438 K442 G443 K445 E448 I462 V504 C534M432-L440 HydrophobicContact CE-CD2 3.52Å; M432-L440 HydrophobicContact SD-CB 4.35Å; M432-L440 HydrophobicContact SD-CD2 3.74Å; W436-L440 PolarHBondContact O-N 3.17Å; S438-L440 VanDerWaalsContact C-N 3.34Å; S438-L440 PolarHBondContact O-N 3.1Å; L440-K442 VanDerWaalsContact C-N 3.31Å; L440-K442 PolarHBondContact O-N 3.44Å; L440-G443 PolarHBondContact O-N 3.1Å; L440-G443 VanDerWaalsContact O-N 3.1Å; L440-K445 HydrophobicContact CB-CB 4.24Å; L440-K445 HydrophobicContact CB-CG 4.38Å; L440-K445 WeakPolarHBondContact CD1-O 3.17Å; L440-E448 HydrophobicContact CD2-CB 4.49Å; L440-I462 HydrophobicContact CD2-CD1 3.79Å; L440-I462 HydrophobicContact CD2-CG1 4.1Å; L440-V504 HydrophobicContact CD1-CG1 3.98Å; L440-V504 HydrophobicContact CD2-CG1 4.45Å; L440-V504 HydrophobicContact CD2-CG2 4.4Å; L440-V504 HydrophobicContact CG-CG1 3.86Å; L440-C534 HydrophobicContact CD1-CB 3.68Å
441V92.8Very high92.4Very high1 Ų130.4 Ų30.41%0.00615%0.151CC..Hα-helixtrans-72.5-23.8179.1171.60000112.8A437 S438 I462 L501 E539A437-V441 PolarHBondContact O-N 2.92Å; S438-V441 PolarHBondContact O-N 2.93Å; V441-I462 HydrophobicContact CG2-CB 3.59Å; V441-I462 HydrophobicContact CG2-CG1 4.11Å; V441-I462 HydrophobicContact CG2-CG2 3.61Å; V441-L501 HydrophobicContact CB-CB 4.39Å; V441-L501 HydrophobicContact CG1-CB 4.33Å; V441-L501 HydrophobicContact CG2-CB 3.95Å; V441-E539 HydrophobicContact CG1-CB 3.71Å; V441-E539 HydrophobicContact CG1-CG 3.82Å
442K89.9Confident92.3Very high64 Ų6431.8 Ų31.828%0.27815%0.154SC..Hα-helixtrans-78.8-17.5167.4-74.3-54.7-161.8-174.80114.2S438 L440 I444 P492 E539S438-K442 WeakPolarHBondContact O-CG 3.38Å; S438-K442 PolarHBondContact O-N 2.87Å; L440-K442 VanDerWaalsContact C-N 3.31Å; L440-K442 PolarHBondContact O-N 3.44Å; K442-I444 HydrophobicContact CB-CD1 4.17Å; K442-I444 HydrophobicContact CB-CG1 4.11Å; K442-P492 HydrophobicContact CG-CG 4.03Å; K442-E539 VanDerWaalsContact CE-OE2 3.27Å; K442-E539 WeakPolarHBondContact CE-OE2 3.14Å; K442-E539 IonicContact NZ-OE2 2.71Å; K442-E539 PolarHBondContact NZ-OE2 2.81Å
443G89.1Confident92.1Very high23 Ų2335.9 Ų35.924%0.23717%0.17CC..THydrogen-bonded Turntrans86.55.3-17400000115.4L439 L440L439-G443 PolarHBondContact O-N 3.1Å; L439-G443 VanDerWaalsContact O-N 3.15Å; L440-G443 PolarHBondContact O-N 3.1Å; L440-G443 VanDerWaalsContact O-N 3.1Å
444I89.5Confident91.8Very high13 Ų1332 Ų327%0.06715%0.153CC..SBendtrans-71.8-44.8175.8-57.1172.1000109.5L439 K442 Y481 Y485 P489 F491L439-I444 HydrophobicContact CB-CB 4.3Å; L439-I444 HydrophobicContact CD2-CB 4.29Å; L439-I444 HydrophobicContact CD2-CD1 3.85Å; L439-I444 HydrophobicContact CD2-CG2 4.35Å; L439-I444 PolarHBondContact O-N 3.22Å; K442-I444 HydrophobicContact CB-CD1 4.17Å; K442-I444 HydrophobicContact CB-CG1 4.11Å; I444-Y481 HydrophobicContact CG2-CD1 3.98Å; I444-Y481 HydrophobicContact CG2-CG 3.99Å; I444-Y485 HydrophobicContact CG2-CE2 4.08Å; I444-Y485 WeakPolarHBondContact O-CE2 3.3Å; I444-Y485 PolarHBondContact O-OH 3.28Å; I444-P489 HydrophobicContact CD1-CB 4.29Å; I444-P489 HydrophobicContact CG1-CB 4.18Å; I444-P489 HydrophobicContact CG2-CB 4.19Å; I444-P489 HydrophobicContact CG2-CG 4.23Å; I444-F491 HydrophobicContact CD1-CD1 4.08Å; I444-F491 HydrophobicContact CD1-CE1 4.39Å; I444-F491 HydrophobicContact CG2-CE1 4.31Å
445K90.5Very high91.5Very high11 Ų1135.8 Ų35.85%0.04818%0.179CC..  trans-86.5120168.4174.7148.9-154.254.50108.6W436 L439 L440 V447 Y481 E525W436-K445 HydrophobicContact CB-CD 4.08Å; W436-K445 HydrophobicContact CG-CD 4.38Å; L439-K445 HydrophobicContact CB-CB 3.97Å; L439-K445 PolarHBondContact O-N 3.33Å; L440-K445 HydrophobicContact CB-CB 4.24Å; L440-K445 HydrophobicContact CB-CG 4.38Å; L440-K445 WeakPolarHBondContact CD1-O 3.17Å; K445-V447 WeakPolarHBondContact CE-O 3.45Å; K445-V447 VanDerWaalsContact CG-O 3.25Å; K445-V447 WeakPolarHBondContact CG-O 3.49Å; K445-V447 PolarHBondContact NZ-O 2.77Å; K445-Y481 WeakPolarHBondContact CB-OH 3.44Å; K445-Y481 VanDerWaalsContact CD-OH 3.25Å; K445-Y481 WeakPolarHBondContact CD-OH 3.35Å; K445-Y481 VanDerWaalsContact CG-OH 3.3Å; K445-Y481 WeakPolarHBondContact CG-OH 3.47Å; K445-Y481 PolarHBondContact NZ-OH 3.11Å; K445-E525 WeakPolarHBondContact CA-OE2 3.46Å; K445-E525 WeakPolarHBondContact CG-OE2 3.39Å; K445-E525 PolarHBondContact NZ-O 3.49Å; K445-E525 IonicContact NZ-OE2 3.99Å; K445-E525 PolarHBondContact NZ-OE2 3.47Å; K445-E525 VanDerWaalsContact NZ-OE2 3.11Å
446R89.4Confident91.2Very high114 Ų11437 Ų3743%0.4319%0.185SC..  trans-99.4-16.8-178.1-64.8-178.165.6-145.6-2.1113.7Y485 T522 E525 C534R446-Y485 WeakPolarHBondContact CD-OH 3.33Å; R446-Y485 WeakPolarHBondContact CG-OH 3.35Å; R446-T522 HydrophobicContact CB-CG2 4.49Å; R446-E525 WeakPolarHBondContact CB-OE1 3.39Å; R446-E525 PolarHBondContact N-OE1 3.15Å; R446-E525 VanDerWaalsContact N-OE1 3.07Å; R446-E525 PolarHBondContact N-OE2 3.43Å; R446-E525 VanDerWaalsContact N-OE2 3.17Å; R446-C534 WeakPolarHBondContact O-CB 3.49Å; R446-C534 PolarHBondContact O-N 3.26Å
447V92.2Very high91Very high4 Ų434.1 Ų34.12%0.02417%0.174CC..EExtended strand (participates in β ladder)trans-132.5144.8179.4-60.20000112.2K445 F515 E525 V531 F532 I533K445-V447 WeakPolarHBondContact CE-O 3.45Å; K445-V447 VanDerWaalsContact CG-O 3.25Å; K445-V447 WeakPolarHBondContact CG-O 3.49Å; K445-V447 PolarHBondContact NZ-O 2.77Å; V447-F515 HydrophobicContact CB-CZ 4.28Å; V447-F515 HydrophobicContact CG1-CE2 3.77Å; V447-F515 HydrophobicContact CG1-CZ 3.85Å; V447-F515 HydrophobicContact CG2-CE1 4.35Å; V447-F515 HydrophobicContact CG2-CZ 3.8Å; V447-E525 HydrophobicContact CG2-CB 3.42Å; V447-E525 VanDerWaalsContact CG2-CB 3.42Å; V447-E525 HydrophobicContact CG2-CG 4.32Å; V447-V531 HydrophobicContact CB-CG1 3.59Å; V447-V531 HydrophobicContact CG1-CG1 4.11Å; V447-V531 HydrophobicContact CG2-CG1 3.96Å; V447-F532 VanDerWaalsContact CA-O 3.31Å; V447-F532 WeakPolarHBondContact CA-O 3.42Å; V447-I533 HydrophobicContact CG1-CG1 4.49Å
448E92.7Very high90.8Very high14 Ų1434.3 Ų34.37%0.06518%0.176CC..EExtended strand (participates in β ladder)trans-111.9128.7177.8165.664.8158.400110.7L430 M432 L440 R450 V531 F532L430-E448 HydrophobicContact CD2-CG 3.93Å; M432-E448 HydrophobicContact CE-CB 4.31Å; M432-E448 HydrophobicContact CE-CG 3.87Å; M432-E448 WeakPolarHBondContact CE-OE1 3.39Å; M432-E448 VanDerWaalsContact CE-OE2 3.31Å; M432-E448 WeakPolarHBondContact CE-OE2 3.25Å; L440-E448 HydrophobicContact CD2-CB 4.49Å; E448-R450 HydrophobicContact CG-CG 4.38Å; E448-R450 IonicContact OE1-CZ 2.67Å; E448-R450 IonicContact OE1-NE 3.11Å; E448-R450 PolarHBondContact OE1-NE 3.13Å; E448-R450 IonicContact OE1-NH2 2.75Å; E448-R450 PolarHBondContact OE1-NH2 3.14Å; E448-V531 WeakPolarHBondContact O-CA 3.12Å; E448-F532 HydrophobicContact CB-CB 4.29Å; E448-F532 HydrophobicContact CB-CD2 4.45Å; E448-F532 HydrophobicContact CG-CD2 4.06Å; E448-F532 PolarHBondContact N-O 3.01Å; E448-F532 PolarHBondContact O-N 3.37Å
449G91.9Very high90.7Very high15 Ų1537.1 Ų37.116%0.15519%0.186CC..EExtended strand (participates in β ladder)trans-97.5130.1-176.900000112.4S526 S528G449-S526 WeakPolarHBondContact CA-OG 3.34Å; G449-S528 VanDerWaalsContact C-OG 3.29Å; G449-S528 WeakPolarHBondContact CA-OG 3.38Å
450R91.6Very high90.7Very high50 Ų5037.2 Ų37.219%0.18919%0.186CC..EExtended strand (participates in β ladder)trans-139.9157175.6-66.5-63.3171.2140.13.3113.3S431 E448 W452 S528 F530 F532S431-R450 PolarHBondContact O-NH2 3.21Å; E448-R450 HydrophobicContact CG-CG 4.38Å; E448-R450 IonicContact OE1-CZ 2.67Å; E448-R450 IonicContact OE1-NE 3.11Å; E448-R450 PolarHBondContact OE1-NE 3.13Å; E448-R450 IonicContact OE1-NH2 2.75Å; E448-R450 PolarHBondContact OE1-NH2 3.14Å; R450-W452 HydrophobicContact CG-CZ2 4.38Å; R450-W452 PolarHBondContact O-N 3.48Å; R450-S528 VanDerWaalsContact N-CB 3.32Å; R450-F530 PolarHBondContact N-O 3.46Å; R450-F530 PolarHBondContact O-N 3.04Å; R450-F530 VanDerWaalsContact O-N 3.1Å; R450-F530 VanDerWaalsContact O-O 3.11Å; R450-F532 HydrophobicContact CB-CE1 4.2Å; R450-F532 HydrophobicContact CB-CE2 4.34Å; R450-F532 HydrophobicContact CB-CZ 3.79Å; R450-F532 HydrophobicContact CG-CE1 4.48Å; R450-F532 HydrophobicContact CG-CE2 3.76Å; R450-F532 HydrophobicContact CG-CZ 3.74Å
451T92.6Very high90.8Very high116 Ų11637.1 Ų37.171%0.71219%0.186SC*.SBendtrans-81.13.817650.10000114
452W92.3Very high91Very high42 Ų4237.1 Ų37.116%0.15919%0.186CC..SBendtrans-146.1140.3-174.455.3-84.2000110.8L430 R450 F530 F532 K551 I552L430-W452 HydrophobicContact CD1-CZ2 4.36Å; R450-W452 HydrophobicContact CG-CZ2 4.38Å; R450-W452 PolarHBondContact O-N 3.48Å; W452-F530 VanDerWaalsContact C-CD2 3.49Å; W452-F532 HydrophobicContact CH2-CE2 4.29Å; W452-F532 HydrophobicContact CH2-CZ 4.07Å; W452-F532 HydrophobicContact CZ2-CE2 4.48Å; W452-F532 HydrophobicContact CZ2-CZ 4.28Å; W452-F532 HydrophobicContact CZ3-CZ 4.27Å; W452-K551 HydrophobicContact CD2-CD 4.25Å; W452-K551 HydrophobicContact CD2-CG 4.24Å; W452-K551 HydrophobicContact CE3-CD 4.4Å; W452-K551 HydrophobicContact CH2-CB 4.06Å; W452-K551 HydrophobicContact CH2-CG 4.47Å; W452-K551 HydrophobicContact CZ2-CB 3.89Å; W452-K551 HydrophobicContact CZ2-CG 4Å; W452-I552 HydrophobicContact CH2-CB 4.35Å; W452-I552 HydrophobicContact CH2-CD1 3.99Å; W452-I552 HydrophobicContact CH2-CG1 3.9Å
453Y90.9Very high91.3Very high91 Ų9134.1 Ų34.136%0.35717%0.172SC..  trans-70.6148.5179.7177.8-99.6000112.7R457 C509 F530Y453-R457 PolarHBondContact OH-NH2 2.71Å; Y453-C509 HydrophobicContact CD2-CB 4.27Å; Y453-C509 WeakPolarHBondContact CD2-SG 3.17Å; Y453-C509 HydrophobicContact CE2-CB 3.88Å; Y453-C509 WeakPolarHBondContact CE2-O 3.22Å; Y453-C509 VanDerWaalsContact CE2-SG 3.6Å; Y453-F530 AromaticContact CD2-CD1 3.94Å; Y453-F530 HydrophobicContact CD2-CD1 3.94Å; Y453-F530 HydrophobicContact CD2-CE1 4.09Å; Y453-F530 HydrophobicContact CG-CD1 4.45Å; Y453-F530 HydrophobicContact CG-CE1 4.39Å
454T87.3Confident91.6Very high15 Ų1533 Ų339%0.09216%0.161CC..  trans-127.6132.5168.5-163.40000112.9H456 R457 C509 F532 I552T454-H456 VanDerWaalsContact C-N 3.25Å; T454-H456 HydrophobicContact CG2-CB 4.23Å; T454-H456 WeakPolarHBondContact OG1-CB 2.93Å; T454-H456 PolarHBondContact OG1-N 2.67Å; T454-R457 PolarHBondContact O-NH1 2.77Å; T454-C509 HydrophobicContact CG2-CB 4.1Å; T454-C509 PolarHBondContact N-SG 3.42Å; T454-C509 VanDerWaalsContact O-CB 3.27Å; T454-C509 WeakPolarHBondContact O-CB 3.46Å; T454-F532 HydrophobicContact CG2-CD1 3.91Å; T454-F532 HydrophobicContact CG2-CD2 4.24Å; T454-F532 HydrophobicContact CG2-CE1 3.63Å; T454-F532 HydrophobicContact CG2-CE2 3.96Å; T454-F532 HydrophobicContact CG2-CG 4.22Å; T454-F532 HydrophobicContact CG2-CZ 3.65Å; T454-I552 HydrophobicContact CG2-CD1 4.39Å
455S88.6Confident91.8Very high79 Ų7933 Ų3355%0.55216%0.163SC*.  trans-84.43166.652.40000112.8
456H87.8Confident92Very high27 Ų2736.6 Ų36.613%0.12520%0.195CC..  trans-64.8134.6172.7-173.5-77.2000110.4W428 T454 R459 I552W428-H456 WeakPolarHBondContact CB-NE2 3.16Å; W428-H456 AromaticContact CD1-CD2 3.51Å; W428-H456 AromaticContact CD1-NE2 3.22Å; W428-H456 AromaticContact CG-CD2 3.68Å; W428-H456 AromaticContact CG-NE2 3.52Å; T454-H456 VanDerWaalsContact C-N 3.25Å; T454-H456 HydrophobicContact CG2-CB 4.23Å; T454-H456 WeakPolarHBondContact OG1-CB 2.93Å; T454-H456 PolarHBondContact OG1-N 2.67Å; H456-R459 PolarHBondContact CE1-O 2.91Å; H456-I552 HydrophobicContact CB-CD1 4.11Å
457R88.6Confident92.1Very high31 Ų3135.6 Ų35.612%0.11719%0.194CC..  trans-141.4151.5175.2-62.5-65.6-179.1-76.5-1.7107.6Y453 T454 V506 T507 E508Y453-R457 PolarHBondContact OH-NH2 2.71Å; T454-R457 PolarHBondContact O-NH1 2.77Å; R457-V506 WeakPolarHBondContact CA-O 3.49Å; R457-T507 VanDerWaalsContact CD-O 3.24Å; R457-T507 WeakPolarHBondContact CD-O 3.46Å; R457-E508 IonicContact CZ-OE2 2.66Å; R457-E508 VanDerWaalsContact CZ-OE2 3.24Å; R457-E508 IonicContact NE-OE1 3.24Å; R457-E508 PolarHBondContact NE-OE1 3.04Å; R457-E508 IonicContact NE-OE2 2.77Å; R457-E508 PolarHBondContact NE-OE2 3.27Å; R457-E508 VanDerWaalsContact NE-OE2 3.13Å; R457-E508 IonicContact NH2-OE1 3.32Å; R457-E508 IonicContact NH2-OE2 3.13Å; R457-E508 PolarHBondContact NH2-OE2 2.91Å
458G89.4Confident92Very high3 Ų343 Ų433%0.03123%0.226CC..EExtended strand (participates in β ladder)trans90.2-164.3-171.400000113.4L460 N505 V506G458-L460 PolarHBondContact O-N 3.2Å; G458-N505 WeakPolarHBondContact CA-OD1 3.41Å; G458-N505 PolarHBondContact O-OD1 3.38Å; G458-V506 PolarHBondContact N-O 3.01Å; G458-V506 PolarHBondContact O-N 3.32Å
459R91.4Very high92Very high65 Ų6543.6 Ų43.625%0.24523%0.231CC..EExtended strand (participates in β ladder)trans-65121.5-170.9-169.2-174.2-61.2-99-0.1113.1D425 H456 C503D425-R459 HydrophobicContact CB-CB 4.41Å; D425-R459 WeakPolarHBondContact OD2-CD 3.49Å; D425-R459 IonicContact OD2-NE 2.64Å; H456-R459 PolarHBondContact CE1-O 2.91Å; R459-C503 HydrophobicContact CG-CB 3.92Å; R459-C503 PolarHBondContact NH1-SG 2.86Å
460L93.9Very high92.1Very high2 Ų246 Ų461%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-116.9122.3175-177.261.2000110.5W428 L430 G458 I462 C503 V504 V506 I552W428-L460 HydrophobicContact CB-CD1 4.13Å; L430-L460 HydrophobicContact CB-CD1 4.2Å; L430-L460 HydrophobicContact CB-CD2 3.94Å; L430-L460 HydrophobicContact CB-CG 4.2Å; L430-L460 HydrophobicContact CD2-CD2 4.25Å; G458-L460 PolarHBondContact O-N 3.2Å; L460-I462 HydrophobicContact CG-CD1 4.44Å; L460-C503 CarbonylContact O-C 3.59Å; L460-C503 VanDerWaalsContact O-CA 3.27Å; L460-C503 WeakPolarHBondContact O-CA 3.41Å; L460-C503 WeakPolarHBondContact O-CB 3.5Å; L460-V504 HydrophobicContact CB-CG2 4.47Å; L460-V504 PolarHBondContact N-O 3.33Å; L460-V504 PolarHBondContact O-N 2.87Å; L460-V506 HydrophobicContact CB-CG2 3.74Å; L460-V506 HydrophobicContact CD2-CG2 3.56Å; L460-V506 HydrophobicContact CG-CG2 4.3Å; L460-I552 HydrophobicContact CD1-CD1 4.09Å; L460-I552 HydrophobicContact CD1-CG1 4.02Å; L460-I552 HydrophobicContact CD1-CG2 4.24Å; L460-I552 HydrophobicContact CD2-CD1 4.19Å
461W95.1Very high92.1Very high0 Ų047.6 Ų47.60%027%0.266CS..EExtended strand (participates in β ladder)trans-78.5139.3178.1-67.688.7000111.7D425 W428 C429 L430 L500 C503 L540 L555 H560 A563 K564 L567D425-W461 PolarHBondContact OD1-NE1 2.87Å; D425-W461 WeakPolarHBondContact OD2-CZ2 3.25Å; D425-W461 PolarHBondContact OD2-NE1 3.06Å; D425-W461 VanDerWaalsContact OD2-NE1 3.14Å; W428-W461 WeakPolarHBondContact O-CB 3.27Å; W428-W461 VanDerWaalsContact O-CD1 3.28Å; W428-W461 PolarHBondContact O-N 2.85Å; C429-W461 CarbonylContact C-O 3.45Å; C429-W461 WeakPolarHBondContact CA-O 2.94Å; C429-W461 HydrophobicContact CB-CB 3.96Å; C429-W461 PolarHBondContact SG-O 3.26Å; L430-W461 PolarHBondContact N-O 3.46Å; W461-L500 HydrophobicContact CB-CD1 4.23Å; W461-L500 HydrophobicContact CE3-CD2 4.15Å; W461-L500 HydrophobicContact CE3-CG 4.5Å; W461-C503 HydrophobicContact CD2-CB 3.89Å; W461-C503 HydrophobicContact CE3-CB 3.78Å; W461-C503 HydrophobicContact CG-CB 4.26Å; W461-C503 HydrophobicContact CZ3-CB 4.17Å; W461-L540 HydrophobicContact CZ3-CD1 4.24Å; W461-L540 HydrophobicContact CZ3-CD2 4.08Å; W461-L540 HydrophobicContact CZ3-CG 4.36Å; W461-L555 HydrophobicContact CB-CD1 3.85Å; W461-L555 HydrophobicContact CD2-CD1 4.09Å; W461-L555 HydrophobicContact CG-CD1 3.65Å; W461-H560 AromaticContact CE2-CD2 3.99Å; W461-H560 AromaticContact NE1-CD2 3.64Å; W461-H560 AromaticContact NE1-NE2 3.65Å; W461-A563 HydrophobicContact CE3-CB 4.09Å; W461-A563 HydrophobicContact CH2-CB 3.59Å; W461-A563 HydrophobicContact CZ2-CB 4.32Å; W461-A563 HydrophobicContact CZ3-CB 3.47Å; W461-A563 VanDerWaalsContact CZ3-CB 3.47Å; W461-K564 HydrophobicContact CZ2-CG 4.02Å; W461-L567 HydrophobicContact CH2-CD1 3.73Å; W461-L567 HydrophobicContact CH2-CD2 3.77Å; W461-L567 HydrophobicContact CH2-CG 3.79Å; W461-L567 HydrophobicContact CZ2-CD1 4.33Å; W461-L567 HydrophobicContact CZ3-CD2 3.79Å; W461-L567 HydrophobicContact CZ3-CG 4.27Å
462I96Very high92.1Very high1 Ų148.9 Ų48.91%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-114.9125.2-173.8-60.5-58.2000110.6L430 M432 L440 V441 L460 L501 G502 V504L430-I462 HydrophobicContact CB-CD1 4.35Å; M432-I462 HydrophobicContact CG-CG2 3.91Å; M432-I462 HydrophobicContact SD-CD1 4.23Å; M432-I462 HydrophobicContact SD-CG2 3.44Å; M432-I462 WeakPolarHBondContact SD-CG2 3.45Å; L440-I462 HydrophobicContact CD2-CD1 3.79Å; L440-I462 HydrophobicContact CD2-CG1 4.1Å; V441-I462 HydrophobicContact CG2-CB 3.59Å; V441-I462 HydrophobicContact CG2-CG1 4.11Å; V441-I462 HydrophobicContact CG2-CG2 3.61Å; L460-I462 HydrophobicContact CG-CD1 4.44Å; I462-L501 PolarHBondContact O-N 3.24Å; I462-G502 PolarHBondContact N-O 2.77Å; I462-G502 PolarHBondContact O-N 3.5Å; I462-V504 HydrophobicContact CD1-CG2 4.11Å; I462-V504 HydrophobicContact CG1-CG1 4.38Å; I462-V504 HydrophobicContact CG1-CG2 4.08Å
463A96Very high92.1Very high0 Ų049.6 Ų49.60%027%0.269CS..EExtended strand (participates in β ladder)trans-124.5137178.300000112.7L430 S431 M432 C499 L500 M546L430-A463 PolarHBondContact O-N 3.26Å; L430-A463 VanDerWaalsContact O-N 3.09Å; S431-A463 WeakPolarHBondContact CA-O 3.44Å; M432-A463 PolarHBondContact N-O 3.49Å; A463-C499 CarbonylContact C-O 3.46Å; A463-C499 WeakPolarHBondContact CA-O 3.23Å; A463-L500 HydrophobicContact CB-CD1 4.15Å; A463-M546 HydrophobicContact CB-CE 3.55Å; A463-M546 HydrophobicContact CB-SD 4.46Å
464A96Very high92.2Very high0 Ų047 Ų470%026%0.261CS..EExtended strand (participates in β ladder)trans-71.7126.5173.200000110.9Q434 P496 G498 C499 L501Q434-A464 HydrophobicContact CG-CB 4.15Å; A464-P496 WeakPolarHBondContact CB-O 3.44Å; A464-G498 VanDerWaalsContact O-CA 3.27Å; A464-G498 WeakPolarHBondContact O-CA 3.29Å; A464-G498 PolarHBondContact O-N 3.23Å; A464-C499 PolarHBondContact N-O 3.34Å; A464-L501 HydrophobicContact CB-CD1 4.09Å; A464-L501 HydrophobicContact CB-CD2 4.26Å; A464-L501 HydrophobicContact CB-CG 4.16Å
465A94.5Very high92.4Very high13 Ų1348.8 Ų48.811%0.10728%0.278CS..  trans-64170.6170.400000111.9M432 T497 G498M432-A465 WeakPolarHBondContact O-CB 3.34Å; M432-A465 PolarHBondContact O-N 2.9Å; A465-T497 WeakPolarHBondContact O-CB 3.47Å; A465-G498 PolarHBondContact O-N 2.99Å; A465-G498 VanDerWaalsContact O-N 3.15Å
466A92.9Very high92.6Very high86 Ų8650.8 Ų50.871%0.71128%0.278SS*.SBendtrans-80.4-14.6-176.300000114.8K468A466-K468 PolarHBondContact O-N 3.13Å
467K92.6Very high92.7Very high94 Ų9449.9 Ų49.941%0.40927%0.274SS..PPolyproline II helixtrans-66.2120174.7-170.3-151.5171.6-162.30108.8E473 T497K467-E473 IonicContact NZ-OE1 2.68Å; K467-E473 PolarHBondContact NZ-OE1 2.89Å; K467-E473 IonicContact NZ-OE2 3.11Å; K467-E473 PolarHBondContact NZ-OE2 2.97Å; K467-T497 WeakPolarHBondContact O-CG2 3.44Å
468K90.4Very high92.8Very high160 Ų16049.7 Ų49.770%0.69628%0.275SS*.PPolyproline II helixtrans-72.8132.8166.3-67.7-175.6176.3-173.10109.5A466 T497A466-K468 PolarHBondContact O-N 3.13Å; K468-T497 HydrophobicContact CB-CG2 4.46Å; K468-T497 HydrophobicContact CG-CG2 3.95Å
469P92.6Very high92.8Very high26 Ų2656.1 Ų56.117%0.16930%0.304CS..PPolyproline II helixtrans-73.4154.6172.833.9-34.9000109.9Q434 E473 I474Q434-P469 HydrophobicContact CB-CB 4.37Å; Q434-P469 HydrophobicContact CB-CG 3.85Å; P469-E473 WeakPolarHBondContact CA-OE2 3.35Å; P469-I474 HydrophobicContact CB-CD1 4.38Å; P469-I474 HydrophobicContact CB-CG1 4.04Å; P469-I474 HydrophobicContact CG-CD1 3.94Å; P469-I474 HydrophobicContact CG-CG1 4.04Å
470T94.3Very high92.7Very high65 Ų6557.7 Ų57.740%0.39932%0.315SS..PPolyproline II helixtrans-81.8161.9166.674.60000110.7Q472 E473 I474T470-Q472 PolarHBondContact O-N 3.16Å; T470-Q472 PolarHBondContact OG1-N 3.01Å; T470-E473 PolarHBondContact N-OE2 2.8Å; T470-E473 PolarHBondContact O-N 2.98Å; T470-E473 WeakPolarHBondContact OG1-CG 3.36Å; T470-E473 PolarHBondContact OG1-N 3.36Å; T470-I474 WeakPolarHBondContact O-CG1 3.42Å; T470-I474 PolarHBondContact O-N 3.13Å; T470-I474 VanDerWaalsContact O-N 3.08Å
471A91.6Very high92.4Very high84 Ų8457.8 Ų57.869%0.69432%0.316SS*.Hα-helixtrans-63.3-29.3175.200000112.5A475A471-A475 WeakPolarHBondContact O-CB 3.49Å; A471-A475 PolarHBondContact O-N 2.92Å
472Q93.1Very high92Very high143 Ų14363 Ų6367%0.66834%0.335SS*.Hα-helixtrans-69.7-49174-69.7168.2-49.700111T470 I474 A475 E476T470-Q472 PolarHBondContact O-N 3.16Å; T470-Q472 PolarHBondContact OG1-N 3.01Å; Q472-I474 PolarHBondContact O-N 2.82Å; Q472-A475 PolarHBondContact O-N 3.23Å; Q472-A475 VanDerWaalsContact O-N 3.09Å; Q472-E476 WeakPolarHBondContact O-CB 3.45Å; Q472-E476 VanDerWaalsContact O-CG 3.31Å; Q472-E476 WeakPolarHBondContact O-CG 3.29Å; Q472-E476 PolarHBondContact O-N 3.46Å
473E92Very high91.5Very high56 Ų5670.9 Ų70.926%0.26237%0.372SS..Hα-helixtrans-57.7-32.7175.3-72.5176.5154.300112.8K467 P469 T470 V477K467-E473 IonicContact NZ-OE1 2.68Å; K467-E473 PolarHBondContact NZ-OE1 2.89Å; K467-E473 IonicContact NZ-OE2 3.11Å; K467-E473 PolarHBondContact NZ-OE2 2.97Å; P469-E473 WeakPolarHBondContact CA-OE2 3.35Å; T470-E473 PolarHBondContact N-OE2 2.8Å; T470-E473 PolarHBondContact O-N 2.98Å; T470-E473 WeakPolarHBondContact OG1-CG 3.36Å; T470-E473 PolarHBondContact OG1-N 3.36Å; E473-V477 VanDerWaalsContact O-CG2 3.27Å; E473-V477 WeakPolarHBondContact O-CG2 3.49Å
474I92.8Very high90.8Very high37 Ų3772.8 Ų72.819%0.1938%0.381CS..Hα-helixtrans-68.9-58171.6-65.4164.1000109.8P435 P469 T470 Q472 E476 V477 E478 Y495P435-I474 HydrophobicContact CB-CG1 4.39Å; P469-I474 HydrophobicContact CB-CD1 4.38Å; P469-I474 HydrophobicContact CB-CG1 4.04Å; P469-I474 HydrophobicContact CG-CD1 3.94Å; P469-I474 HydrophobicContact CG-CG1 4.04Å; T470-I474 WeakPolarHBondContact O-CG1 3.42Å; T470-I474 PolarHBondContact O-N 3.13Å; T470-I474 VanDerWaalsContact O-N 3.08Å; Q472-I474 PolarHBondContact O-N 2.82Å; I474-E476 VanDerWaalsContact C-N 3.32Å; I474-E476 PolarHBondContact O-N 3.43Å; I474-V477 PolarHBondContact O-N 3.21Å; I474-V477 VanDerWaalsContact O-N 3.13Å; I474-E478 HydrophobicContact CG2-CG 4.06Å; I474-E478 WeakPolarHBondContact CG2-OE1 3.31Å; I474-E478 WeakPolarHBondContact O-CG 3.46Å; I474-E478 PolarHBondContact O-N 2.78Å; I474-Y495 HydrophobicContact CD1-CD2 3.89Å; I474-Y495 HydrophobicContact CD1-CE2 4.32Å; I474-Y495 HydrophobicContact CG1-CD2 4.24Å; I474-Y495 HydrophobicContact CG1-CE2 4.35Å; I474-Y495 HydrophobicContact CG2-CD2 4.33Å; I474-Y495 HydrophobicContact CG2-CE2 3.66Å
475A91.3Very high89.9Confident53 Ų5375.8 Ų75.844%0.43839%0.393SS..Hα-helixtrans-58.9-40.1-173.500000113.2A471 Q472 E478 Q479A471-A475 WeakPolarHBondContact O-CB 3.49Å; A471-A475 PolarHBondContact O-N 2.92Å; Q472-A475 PolarHBondContact O-N 3.23Å; Q472-A475 VanDerWaalsContact O-N 3.09Å; A475-E478 PolarHBondContact O-N 2.87Å; A475-Q479 VanDerWaalsContact O-CB 3.3Å; A475-Q479 WeakPolarHBondContact O-CB 3.24Å; A475-Q479 PolarHBondContact O-N 3.42Å
476E92.2Very high88.6Confident120 Ų12086 Ų8656%0.56144%0.435SS*.Hα-helixtrans-61.8-45.3176-71.6165.1-158.400111.9Q472 I474 Q479 M480Q472-E476 WeakPolarHBondContact O-CB 3.45Å; Q472-E476 VanDerWaalsContact O-CG 3.31Å; Q472-E476 WeakPolarHBondContact O-CG 3.29Å; Q472-E476 PolarHBondContact O-N 3.46Å; I474-E476 VanDerWaalsContact C-N 3.32Å; I474-E476 PolarHBondContact O-N 3.43Å; E476-Q479 PolarHBondContact O-N 2.93Å; E476-M480 WeakPolarHBondContact O-CB 3.39Å; E476-M480 PolarHBondContact O-N 3.37Å
477V90.8Very high87.6Confident8 Ų888.8 Ų88.85%0.04843%0.428CS..Hα-helixtrans-72.8-36.1179.1176.70000111.3P435 W436 L439 E473 I474 M480 Y481P435-V477 HydrophobicContact CG-CB 3.81Å; P435-V477 HydrophobicContact CG-CG1 3.92Å; P435-V477 HydrophobicContact CG-CG2 3.96Å; W436-V477 HydrophobicContact CZ2-CG2 3.79Å; L439-V477 HydrophobicContact CD1-CG1 3.56Å; E473-V477 VanDerWaalsContact O-CG2 3.27Å; E473-V477 WeakPolarHBondContact O-CG2 3.49Å; I474-V477 PolarHBondContact O-N 3.21Å; I474-V477 VanDerWaalsContact O-N 3.13Å; V477-M480 PolarHBondContact O-N 2.91Å; V477-Y481 HydrophobicContact CG1-CD2 3.81Å; V477-Y481 HydrophobicContact CG1-CE2 3.93Å; V477-Y481 WeakPolarHBondContact O-CD2 3.48Å; V477-Y481 PolarHBondContact O-N 2.98Å
478E90.4Very high86.6Confident28 Ų2891.7 Ų91.713%0.13144%0.442CS..Hα-helixtrans-63.2-44.5172.2-66.9-165.5178.700111.6I474 A475 M480 Y481 R482 F491 Y495I474-E478 HydrophobicContact CG2-CG 4.06Å; I474-E478 WeakPolarHBondContact CG2-OE1 3.31Å; I474-E478 WeakPolarHBondContact O-CG 3.46Å; I474-E478 PolarHBondContact O-N 2.78Å; A475-E478 PolarHBondContact O-N 2.87Å; E478-M480 PolarHBondContact O-N 3.36Å; E478-Y481 PolarHBondContact O-N 3.28Å; E478-R482 WeakPolarHBondContact O-CG 3.27Å; E478-R482 PolarHBondContact O-N 2.9Å; E478-R482 IonicContact OE2-CZ 2.7Å; E478-R482 IonicContact OE2-NH2 3.47Å; E478-R482 PolarHBondContact OE2-NH2 3.23Å; E478-F491 HydrophobicContact CB-CD1 4.12Å; E478-F491 HydrophobicContact CB-CD2 4.47Å; E478-F491 HydrophobicContact CB-CE1 3.84Å; E478-F491 HydrophobicContact CB-CE2 4.21Å; E478-F491 HydrophobicContact CB-CG 4.42Å; E478-F491 HydrophobicContact CB-CZ 3.87Å; E478-F491 HydrophobicContact CG-CD1 3.52Å; E478-F491 HydrophobicContact CG-CD2 4.4Å; E478-F491 HydrophobicContact CG-CE1 3.7Å; E478-F491 HydrophobicContact CG-CG 3.89Å; E478-F491 HydrophobicContact CG-CZ 4.21Å; E478-F491 VanDerWaalsContact O-CZ 3.32Å; E478-F491 WeakPolarHBondContact O-CZ 3.35Å; E478-Y495 PolarHBondContact OE1-OH 3.45Å
479Q89.7Confident86Confident138 Ų13885.1 Ų85.165%0.64542%0.416SS*.Hα-helixtrans-63.5-41.1177.5-174.1174.43.800112A475 E476 Y481 R482 H483A475-Q479 VanDerWaalsContact O-CB 3.3Å; A475-Q479 WeakPolarHBondContact O-CB 3.24Å; A475-Q479 PolarHBondContact O-N 3.42Å; E476-Q479 PolarHBondContact O-N 2.93Å; Q479-Y481 PolarHBondContact O-N 3.47Å; Q479-R482 PolarHBondContact O-N 3.38Å; Q479-H483 PolarHBondContact O-N 3.37Å; Q479-H483 VanDerWaalsContact O-N 3.08Å
480M88.6Confident85.6Confident98 Ų9890.3 Ų90.348%0.48344%0.443SS..Hα-helixtrans-56.1-49.7172.2-178.3-166.6-58.700111.2E476 V477 E478 R482 H483 I484E476-M480 WeakPolarHBondContact O-CB 3.39Å; E476-M480 PolarHBondContact O-N 3.37Å; V477-M480 PolarHBondContact O-N 2.91Å; E478-M480 PolarHBondContact O-N 3.36Å; M480-R482 PolarHBondContact O-N 2.79Å; M480-H483 WeakPolarHBondContact O-CB 3.27Å; M480-H483 PolarHBondContact O-N 2.85Å; M480-H483 VanDerWaalsContact O-N 3.11Å; M480-I484 HydrophobicContact CG-CD1 4.09Å; M480-I484 WeakPolarHBondContact O-CG1 3.45Å; M480-I484 PolarHBondContact O-N 3.1Å; M480-I484 VanDerWaalsContact O-N 3.1Å
481Y87.2Confident85.3Confident3 Ų388.9 Ų88.91%0.01243%0.431CS..Hα-helixtrans-69.7-30.2178.9-84.9-69.6000113.8L439 I444 K445 V477 E478 Q479 H483 I484 Y485 E525L439-Y481 HydrophobicContact CD1-CD2 3.86Å; L439-Y481 HydrophobicContact CD1-CE2 3.91Å; I444-Y481 HydrophobicContact CG2-CD1 3.98Å; I444-Y481 HydrophobicContact CG2-CG 3.99Å; K445-Y481 WeakPolarHBondContact CB-OH 3.44Å; K445-Y481 VanDerWaalsContact CD-OH 3.25Å; K445-Y481 WeakPolarHBondContact CD-OH 3.35Å; K445-Y481 VanDerWaalsContact CG-OH 3.3Å; K445-Y481 WeakPolarHBondContact CG-OH 3.47Å; K445-Y481 PolarHBondContact NZ-OH 3.11Å; V477-Y481 HydrophobicContact CG1-CD2 3.81Å; V477-Y481 HydrophobicContact CG1-CE2 3.93Å; V477-Y481 WeakPolarHBondContact O-CD2 3.48Å; V477-Y481 PolarHBondContact O-N 2.98Å; E478-Y481 PolarHBondContact O-N 3.28Å; Q479-Y481 PolarHBondContact O-N 3.47Å; Y481-H483 VanDerWaalsContact C-N 3.25Å; Y481-H483 PolarHBondContact O-N 3.14Å; Y481-I484 HydrophobicContact CD1-CD1 4.42Å; Y481-I484 PolarHBondContact O-N 2.82Å; Y481-Y485 HydrophobicContact CD1-CD2 4.13Å; Y481-Y485 AromaticContact CD1-CE2 3.71Å; Y481-Y485 HydrophobicContact CD1-CE2 3.71Å; Y481-Y485 HydrophobicContact CE1-CE2 4.26Å; Y481-Y485 WeakPolarHBondContact O-CD2 3.48Å; Y481-Y485 PolarHBondContact O-N 3.41Å; Y481-Y485 VanDerWaalsContact O-N 3.08Å; Y481-E525 HydrophobicContact CE1-CG 3.87Å; Y481-E525 WeakPolarHBondContact CE1-OE2 3.43Å; Y481-E525 PolarHBondContact OH-OE2 3.24Å
482R87.9Confident85.1Confident109 Ų10985.9 Ų85.941%0.41140%0.404SS..Hα-helixtrans-65.7-25.1169-72.2-178.4-167.6119.922113E478 Q479 M480 F491E478-R482 WeakPolarHBondContact O-CG 3.27Å; E478-R482 PolarHBondContact O-N 2.9Å; E478-R482 IonicContact OE2-CZ 2.7Å; E478-R482 IonicContact OE2-NH2 3.47Å; E478-R482 PolarHBondContact OE2-NH2 3.23Å; Q479-R482 PolarHBondContact O-N 3.38Å; M480-R482 PolarHBondContact O-N 2.79Å; R482-F491 HydrophobicContact CG-CE2 3.67Å; R482-F491 HydrophobicContact CG-CZ 4.03Å; R482-F491 VanDerWaalsContact NH2-CD2 3.32Å
483H84.3Confident84.7Confident167 Ų16788.9 Ų88.977%0.77342%0.415SS*.Hα-helixtrans-81.9-39.8175.5-161.867.2000112.3Q479 M480 Y481Q479-H483 PolarHBondContact O-N 3.37Å; Q479-H483 VanDerWaalsContact O-N 3.08Å; M480-H483 WeakPolarHBondContact O-CB 3.27Å; M480-H483 PolarHBondContact O-N 2.85Å; M480-H483 VanDerWaalsContact O-N 3.11Å; Y481-H483 VanDerWaalsContact C-N 3.25Å; Y481-H483 PolarHBondContact O-N 3.14Å
484I81.5Confident84.5Confident40 Ų4092.3 Ų92.321%0.20544%0.435CS..Hα-helixtrans-66.9-37.9178.1-65.9167.1000111.5M480 Y481 E525M480-I484 HydrophobicContact CG-CD1 4.09Å; M480-I484 WeakPolarHBondContact O-CG1 3.45Å; M480-I484 PolarHBondContact O-N 3.1Å; M480-I484 VanDerWaalsContact O-N 3.1Å; Y481-I484 HydrophobicContact CD1-CD1 4.42Å; Y481-I484 PolarHBondContact O-N 2.82Å; I484-E525 HydrophobicContact CD1-CG 4.45Å
485Y78.3Confident84.5Confident63 Ų6391.9 Ų91.925%0.24743%0.431CS..  trans-97.8121.9-179.2-71-67.3000113.6I444 R446 Y481 R487 P489I444-Y485 HydrophobicContact CG2-CE2 4.08Å; I444-Y485 WeakPolarHBondContact O-CE2 3.3Å; I444-Y485 PolarHBondContact O-OH 3.28Å; R446-Y485 WeakPolarHBondContact CD-OH 3.33Å; R446-Y485 WeakPolarHBondContact CG-OH 3.35Å; Y481-Y485 HydrophobicContact CD1-CD2 4.13Å; Y481-Y485 AromaticContact CD1-CE2 3.71Å; Y481-Y485 HydrophobicContact CD1-CE2 3.71Å; Y481-Y485 HydrophobicContact CE1-CE2 4.26Å; Y481-Y485 WeakPolarHBondContact O-CD2 3.48Å; Y481-Y485 PolarHBondContact O-N 3.41Å; Y481-Y485 VanDerWaalsContact O-N 3.08Å; Y485-R487 PolarHBondContact O-N 3.18Å; Y485-R487 VanDerWaalsContact O-N 3.08Å; Y485-P489 HydrophobicContact CD2-CG 4.28Å
486K66.2Low84.6Confident228 Ų22891.3 Ų91.399%0.99142%0.423SS*.SBendtrans-65.8-5.6176.3-63.3-175.9178.6-177.10115.5
487R71.3Confident84.7Confident145 Ų14587.7 Ų87.755%0.54741%0.409SS..SBendtrans-130.6133.5174.2177.6177.8179.1171.60.6106.6S83 Y485 P489S83-R487 PolarHBondContact OG-NH2 3.11Å; Y485-R487 PolarHBondContact O-N 3.18Å; Y485-R487 VanDerWaalsContact O-N 3.08Å; R487-P489 WeakPolarHBondContact O-CD 3.47Å
488E73.1Confident84.8Confident154 Ų15488.3 Ų88.372%0.7242%0.418SS*.  trans-59.4124-178.2-63.7-160.2124.900111.4
489P77.9Confident85Confident22 Ų2287.5 Ų87.514%0.14342%0.415CS..  trans-85.3142.5176.831.9-31.1000111.3I444 Y485 R487 F491I444-P489 HydrophobicContact CD1-CB 4.29Å; I444-P489 HydrophobicContact CG1-CB 4.18Å; I444-P489 HydrophobicContact CG2-CB 4.19Å; I444-P489 HydrophobicContact CG2-CG 4.23Å; Y485-P489 HydrophobicContact CD2-CG 4.28Å; R487-P489 WeakPolarHBondContact O-CD 3.47Å; P489-F491 HydrophobicContact CG-CE1 4.34Å; P489-F491 HydrophobicContact CG-CE2 3.68Å; P489-F491 HydrophobicContact CG-CZ 3.6Å; P489-F491 WeakPolarHBondContact O-CD2 3.4Å; P489-F491 WeakPolarHBondContact O-CE2 3.36Å; P489-F491 PolarHBondContact O-N 3.07Å; P489-F491 VanDerWaalsContact O-N 3.08Å
490N82.8Confident85.3Confident136 Ų13681 Ų8173%0.72738%0.384SS*.  trans-7696.2-178.9-76.2-18.6000111.8
491F88Confident85.5Confident35 Ų3576.3 Ų76.315%0.15436%0.362CS..  trans-70147.8-178.4-67.3-80.2000114L439 I444 E478 R482 P489L439-F491 HydrophobicContact CD2-CD1 3.75Å; L439-F491 HydrophobicContact CD2-CE1 4.03Å; I444-F491 HydrophobicContact CD1-CD1 4.08Å; I444-F491 HydrophobicContact CD1-CE1 4.39Å; I444-F491 HydrophobicContact CG2-CE1 4.31Å; E478-F491 HydrophobicContact CB-CD1 4.12Å; E478-F491 HydrophobicContact CB-CD2 4.47Å; E478-F491 HydrophobicContact CB-CE1 3.84Å; E478-F491 HydrophobicContact CB-CE2 4.21Å; E478-F491 HydrophobicContact CB-CG 4.42Å; E478-F491 HydrophobicContact CB-CZ 3.87Å; E478-F491 HydrophobicContact CG-CD1 3.52Å; E478-F491 HydrophobicContact CG-CD2 4.4Å; E478-F491 HydrophobicContact CG-CE1 3.7Å; E478-F491 HydrophobicContact CG-CG 3.89Å; E478-F491 HydrophobicContact CG-CZ 4.21Å; E478-F491 VanDerWaalsContact O-CZ 3.32Å; E478-F491 WeakPolarHBondContact O-CZ 3.35Å; R482-F491 HydrophobicContact CG-CE2 3.67Å; R482-F491 HydrophobicContact CG-CZ 4.03Å; R482-F491 VanDerWaalsContact NH2-CD2 3.32Å; P489-F491 HydrophobicContact CG-CE1 4.34Å; P489-F491 HydrophobicContact CG-CE2 3.68Å; P489-F491 HydrophobicContact CG-CZ 3.6Å; P489-F491 WeakPolarHBondContact O-CD2 3.4Å; P489-F491 WeakPolarHBondContact O-CE2 3.36Å; P489-F491 PolarHBondContact O-N 3.07Å; P489-F491 VanDerWaalsContact O-N 3.08Å
492P87.3Confident85.8Confident20 Ų2076.2 Ų76.213%0.1336%0.361CS..  trans-60.6135.2169.8-19.830.2000112.8K442 D494 Y495K442-P492 HydrophobicContact CG-CG 4.03Å; P492-D494 VanDerWaalsContact C-N 3.3Å; P492-Y495 HydrophobicContact CB-CE1 4.32Å; P492-Y495 HydrophobicContact CB-CE2 4.39Å; P492-Y495 HydrophobicContact CG-CE1 4.08Å; P492-Y495 WeakPolarHBondContact O-CE2 3.38Å
493K85Confident86.1Confident207 Ų20771 Ų7190%0.934%0.342SS*.SBendtrans-69.6-28.4169.4-62.1-175.3-179.6-177.90112.8
494D88.2Confident86.5Confident127 Ų12763.2 Ų63.268%0.67931%0.305SS*.  trans-129.8136.1-175.7-68.6-73.5000111.8P492 P496P492-D494 VanDerWaalsContact C-N 3.3Å; D494-P496 VanDerWaalsContact O-CD 3.23Å; D494-P496 WeakPolarHBondContact O-CD 3.46Å
495Y92.6Very high87.1Confident28 Ų2862.2 Ų62.211%0.1130%0.301CS..  trans-115.676.8178.2-68.1-90.9000111.1P435 L439 I474 E478 P492P435-Y495 HydrophobicContact CB-CD1 3.7Å; P435-Y495 HydrophobicContact CB-CE1 3.45Å; P435-Y495 VanDerWaalsContact CB-CE1 3.45Å; P435-Y495 HydrophobicContact CB-CG 4.49Å; L439-Y495 HydrophobicContact CD2-CE1 4.35Å; L439-Y495 HydrophobicContact CG-CE1 4.45Å; I474-Y495 HydrophobicContact CD1-CD2 3.89Å; I474-Y495 HydrophobicContact CD1-CE2 4.32Å; I474-Y495 HydrophobicContact CG1-CD2 4.24Å; I474-Y495 HydrophobicContact CG1-CE2 4.35Å; I474-Y495 HydrophobicContact CG2-CD2 4.33Å; I474-Y495 HydrophobicContact CG2-CE2 3.66Å; E478-Y495 PolarHBondContact OE1-OH 3.45Å; P492-Y495 HydrophobicContact CB-CE1 4.32Å; P492-Y495 HydrophobicContact CB-CE2 4.39Å; P492-Y495 HydrophobicContact CG-CE1 4.08Å; P492-Y495 WeakPolarHBondContact O-CE2 3.38Å
496P92.8Very high87.7Confident42 Ų4259.2 Ų59.227%0.27329%0.289SS..  trans-69.4144-173.928.9-35.5000112.4Q434 A464 D494 L501 K543Q434-P496 PolarHBondContact NE2-O 3.48Å; A464-P496 WeakPolarHBondContact CB-O 3.44Å; D494-P496 VanDerWaalsContact O-CD 3.23Å; D494-P496 WeakPolarHBondContact O-CD 3.46Å; P496-L501 HydrophobicContact CG-CD2 3.95Å; P496-K543 HydrophobicContact CG-CD 4.09Å
497T94.1Very high88.8Confident43 Ų4350.5 Ų50.526%0.26426%0.255SS..  trans-112148.7-176.353.50000112.6Q434 A465 K467 K468Q434-T497 HydrophobicContact CG-CG2 4.34Å; A465-T497 WeakPolarHBondContact O-CB 3.47Å; K467-T497 WeakPolarHBondContact O-CG2 3.44Å; K468-T497 HydrophobicContact CB-CG2 4.46Å; K468-T497 HydrophobicContact CG-CG2 3.95Å
498G93.9Very high89.7Confident22 Ų2247.5 Ų47.523%0.22725%0.247CC..SBendtrans69.837.8175.300000113.7A464 A465 M546A464-G498 VanDerWaalsContact O-CA 3.27Å; A464-G498 WeakPolarHBondContact O-CA 3.29Å; A464-G498 PolarHBondContact O-N 3.23Å; A465-G498 PolarHBondContact O-N 2.99Å; A465-G498 VanDerWaalsContact O-N 3.15Å; G498-M546 CarbonylContact C-O 3.51Å; G498-M546 PolarHBondContact O-N 2.85Å
499C94.4Very high90.5Very high11 Ų1140.4 Ų40.47%0.07421%0.214CC..EExtended strand (participates in β ladder)trans-147.2157.1-179.558.90000112.7A463 A464 K543 F544A463-C499 CarbonylContact C-O 3.46Å; A463-C499 WeakPolarHBondContact CA-O 3.23Å; A464-C499 PolarHBondContact N-O 3.34Å; C499-K543 HydrophobicContact CB-CB 4.38Å; C499-F544 CarbonylContact C-O 3.53Å; C499-F544 WeakPolarHBondContact CA-O 3.47Å; C499-F544 VanDerWaalsContact CB-O 3.26Å; C499-F544 WeakPolarHBondContact CB-O 3.47Å
500L95.1Very high91.1Very high0 Ų039.9 Ų39.90%021%0.21CC..EExtended strand (participates in β ladder)trans-73125.3168.4-161.762.4000108.9W461 A463 L540 K543 F544 M546 L555 A563W461-L500 HydrophobicContact CB-CD1 4.23Å; W461-L500 HydrophobicContact CE3-CD2 4.15Å; W461-L500 HydrophobicContact CE3-CG 4.5Å; A463-L500 HydrophobicContact CB-CD1 4.15Å; L500-L540 HydrophobicContact CB-CD1 4.08Å; L500-L540 HydrophobicContact CD2-CD1 3.63Å; L500-L540 HydrophobicContact CG-CD1 3.62Å; L500-K543 WeakPolarHBondContact O-CA 3.38Å; L500-K543 WeakPolarHBondContact O-CB 3.22Å; L500-F544 HydrophobicContact CB-CB 4.17Å; L500-F544 HydrophobicContact CD2-CD2 4.26Å; L500-F544 PolarHBondContact N-O 2.84Å; L500-M546 HydrophobicContact CB-CG 4.22Å; L500-M546 HydrophobicContact CB-SD 3.68Å; L500-M546 HydrophobicContact CD1-CE 4.32Å; L500-M546 HydrophobicContact CD1-SD 3.83Å; L500-M546 HydrophobicContact CD2-SD 4.44Å; L500-M546 HydrophobicContact CG-SD 4.19Å; L500-L555 HydrophobicContact CD1-CD2 4.4Å; L500-L555 HydrophobicContact CD2-CD1 4.36Å; L500-A563 HydrophobicContact CD2-CB 3.61Å
501L93.9Very high91.5Very high1 Ų134.9 Ų34.91%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-98.2-38.8-177-62.2-178.5000112.5A437 V441 I462 A464 P496 L540 K543A437-L501 VanDerWaalsContact C-CD1 3.44Å; A437-L501 HydrophobicContact CB-CD1 3.7Å; A437-L501 WeakPolarHBondContact O-CD1 3.48Å; V441-L501 HydrophobicContact CB-CB 4.39Å; V441-L501 HydrophobicContact CG1-CB 4.33Å; V441-L501 HydrophobicContact CG2-CB 3.95Å; I462-L501 PolarHBondContact O-N 3.24Å; A464-L501 HydrophobicContact CB-CD1 4.09Å; A464-L501 HydrophobicContact CB-CD2 4.26Å; A464-L501 HydrophobicContact CB-CG 4.16Å; P496-L501 HydrophobicContact CG-CD2 3.95Å; L501-L540 PolarHBondContact O-N 3.4Å; L501-K543 HydrophobicContact CD2-CD 4.15Å
502G94Very high91.5Very high0 Ų034.8 Ų34.80%019%0.186CC..EExtended strand (participates in β ladder)trans171.4-161.4-16500000112.8I462 Q538I462-G502 PolarHBondContact N-O 2.77Å; I462-G502 PolarHBondContact O-N 3.5Å; G502-Q538 CarbonylContact C-O 3.58Å; G502-Q538 WeakPolarHBondContact CA-O 3.42Å
503C93.6Very high91.5Very high1 Ų140.1 Ų40.11%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-143.8161.3168.664.70000111.9R459 L460 W461 Q538R459-C503 HydrophobicContact CG-CB 3.92Å; R459-C503 PolarHBondContact NH1-SG 2.86Å; L460-C503 CarbonylContact O-C 3.59Å; L460-C503 VanDerWaalsContact O-CA 3.27Å; L460-C503 WeakPolarHBondContact O-CA 3.41Å; L460-C503 WeakPolarHBondContact O-CB 3.5Å; W461-C503 HydrophobicContact CD2-CB 3.89Å; W461-C503 HydrophobicContact CE3-CB 3.78Å; W461-C503 HydrophobicContact CG-CB 4.26Å; W461-C503 HydrophobicContact CZ3-CB 4.17Å; C503-Q538 PolarHBondContact N-O 3.2Å; C503-Q538 PolarHBondContact O-N 3.46Å
504V93.6Very high91.6Very high2 Ų234 Ų341%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-130159.3170.7-62.50000109.3L440 L460 I462 C534 P537L440-V504 HydrophobicContact CD1-CG1 3.98Å; L440-V504 HydrophobicContact CD2-CG1 4.45Å; L440-V504 HydrophobicContact CD2-CG2 4.4Å; L440-V504 HydrophobicContact CG-CG1 3.86Å; L460-V504 HydrophobicContact CB-CG2 4.47Å; L460-V504 PolarHBondContact N-O 3.33Å; L460-V504 PolarHBondContact O-N 2.87Å; I462-V504 HydrophobicContact CD1-CG2 4.11Å; I462-V504 HydrophobicContact CG1-CG1 4.38Å; I462-V504 HydrophobicContact CG1-CG2 4.08Å; V504-C534 HydrophobicContact CB-CB 4.09Å; V504-C534 HydrophobicContact CG1-CB 4.48Å; V504-C534 HydrophobicContact CG2-CB 3.96Å; V504-P537 HydrophobicContact CG1-CB 4.17Å
505N92.6Very high91.5Very high19 Ų1928 Ų2810%0.10215%0.152CC..EExtended strand (participates in β ladder)trans-93.2116.8169.7-172.59000109.6E422 G458 T507 C534 N535 N536E422-N505 PolarHBondContact OE1-ND2 3.06Å; G458-N505 WeakPolarHBondContact CA-OD1 3.41Å; G458-N505 PolarHBondContact O-OD1 3.38Å; N505-T507 PolarHBondContact O-N 3.36Å; N505-C534 WeakPolarHBondContact O-CA 3.47Å; N505-N535 WeakPolarHBondContact CB-O 3.45Å; N505-N535 PolarHBondContact N-O 3.2Å; N505-N535 PolarHBondContact O-N 2.62Å; N505-N536 HydrophobicContact CB-CB 4.35Å
506V91.9Very high91.1Very high0 Ų033.1 Ų33.10%017%0.171CC..EExtended strand (participates in β ladder)trans-83.9108.4174.9177.20000108.3R457 G458 L460 F532 I533R457-V506 WeakPolarHBondContact CA-O 3.49Å; G458-V506 PolarHBondContact N-O 3.01Å; G458-V506 PolarHBondContact O-N 3.32Å; L460-V506 HydrophobicContact CB-CG2 3.74Å; L460-V506 HydrophobicContact CD2-CG2 3.56Å; L460-V506 HydrophobicContact CG-CG2 4.3Å; V506-F532 HydrophobicContact CG1-CB 4.45Å; V506-I533 WeakPolarHBondContact CA-O 3.44Å
507T89.1Confident90.7Very high46 Ų4638.3 Ų38.328%0.28219%0.192SC..EExtended strand (participates in β ladder)trans-89.2-35.1-179.253.50000112.4R457 N505 I533 N535R457-T507 VanDerWaalsContact CD-O 3.24Å; R457-T507 WeakPolarHBondContact CD-O 3.46Å; N505-T507 PolarHBondContact O-N 3.36Å; T507-I533 PolarHBondContact N-O 3.44Å; T507-I533 WeakPolarHBondContact OG1-CG2 3.48Å; T507-I533 PolarHBondContact OG1-O 3.29Å; T507-N535 HydrophobicContact CG2-CB 4.21Å; T507-N535 WeakPolarHBondContact CG2-ND2 3.29Å; T507-N535 PolarHBondContact OG1-ND2 3.48Å
508E89.3Confident90Very high81 Ų8141.9 Ų41.938%0.37921%0.205SC..EExtended strand (participates in β ladder)trans-149.5162.4176.1-89.2-48.4140.500113.6R457 L510 F532 I533R457-E508 IonicContact CZ-OE2 2.66Å; R457-E508 VanDerWaalsContact CZ-OE2 3.24Å; R457-E508 IonicContact NE-OE1 3.24Å; R457-E508 PolarHBondContact NE-OE1 3.04Å; R457-E508 IonicContact NE-OE2 2.77Å; R457-E508 PolarHBondContact NE-OE2 3.27Å; R457-E508 VanDerWaalsContact NE-OE2 3.13Å; R457-E508 IonicContact NH2-OE1 3.32Å; R457-E508 IonicContact NH2-OE2 3.13Å; R457-E508 PolarHBondContact NH2-OE2 2.91Å; E508-L510 HydrophobicContact CB-CD2 4.44Å; E508-F532 CarbonylContact O-C 3.37Å; E508-F532 WeakPolarHBondContact O-CA 3.38Å; E508-I533 HydrophobicContact CB-CB 4.49Å; E508-I533 HydrophobicContact CB-CD1 4.28Å; E508-I533 PolarHBondContact O-N 2.94Å
509C90.9Very high89Confident5 Ų542.6 Ų42.63%0.03421%0.206CC..EExtended strand (participates in β ladder)trans-129.5105170.2174.80000108.6Y453 T454 V531 F532Y453-C509 HydrophobicContact CD2-CB 4.27Å; Y453-C509 WeakPolarHBondContact CD2-SG 3.17Å; Y453-C509 HydrophobicContact CE2-CB 3.88Å; Y453-C509 WeakPolarHBondContact CE2-O 3.22Å; Y453-C509 VanDerWaalsContact CE2-SG 3.6Å; T454-C509 HydrophobicContact CG2-CB 4.1Å; T454-C509 PolarHBondContact N-SG 3.42Å; T454-C509 VanDerWaalsContact O-CB 3.27Å; T454-C509 WeakPolarHBondContact O-CB 3.46Å; C509-V531 WeakPolarHBondContact CA-O 3.45Å; C509-F532 HydrophobicContact CB-CD1 4.05Å; C509-F532 WeakPolarHBondContact SG-CD1 3.28Å; C509-F532 VanDerWaalsContact SG-CE1 3.55Å
510L89.8Confident87.6Confident11 Ų1146.7 Ų46.76%0.05823%0.233CC..EExtended strand (participates in β ladder)trans-102.9158.9-174.7-61-176.1000112E508 Q514 F515 Q518 F530 V531 I533E508-L510 HydrophobicContact CB-CD2 4.44Å; L510-Q514 HydrophobicContact CB-CB 4.05Å; L510-Q514 HydrophobicContact CD1-CB 4.44Å; L510-Q514 HydrophobicContact CD2-CB 4.35Å; L510-F515 HydrophobicContact CB-CB 4.23Å; L510-F515 HydrophobicContact CD1-CB 4.39Å; L510-Q518 HydrophobicContact CD1-CB 4.3Å; L510-Q518 VanDerWaalsContact CD1-OE1 3.31Å; L510-F530 WeakPolarHBondContact O-CA 3.46Å; L510-V531 PolarHBondContact N-O 2.94Å; L510-V531 PolarHBondContact O-N 3.45Å; L510-I533 HydrophobicContact CD1-CD1 3.75Å; L510-I533 HydrophobicContact CG-CD1 4.22Å
511S91.3Very high86.2Confident32 Ų3250.1 Ų50.122%0.22427%0.269CS..EExtended strand (participates in β ladder)trans-72.5157.9161.581.70000111E513 Q514 F515 P529S511-E513 PolarHBondContact O-N 3.23Å; S511-E513 VanDerWaalsContact O-N 3.07Å; S511-E513 PolarHBondContact OG-N 2.94Å; S511-Q514 PolarHBondContact O-N 3.38Å; S511-Q514 WeakPolarHBondContact OG-CG 3.43Å; S511-Q514 PolarHBondContact OG-N 3.42Å; S511-F515 WeakPolarHBondContact O-CB 3.46Å; S511-F515 PolarHBondContact O-N 3.03Å; S511-P529 CarbonylContact C-O 3.12Å; S511-P529 WeakPolarHBondContact CA-O 3.44Å
512Q87.8Confident84.8Confident33 Ų3351.1 Ų51.115%0.15427%0.274CS..Hα-helixtrans-62.1-15.2178-171.759.11.300114R516 S526 S528 P529 V531Q512-R516 PolarHBondContact O-NE 3.03Å; Q512-R516 PolarHBondContact O-NH2 3.49Å; Q512-S526 PolarHBondContact NE2-O 3.05Å; Q512-S526 PolarHBondContact OE1-O 3.45Å; Q512-S528 WeakPolarHBondContact CB-O 3.38Å; Q512-S528 PolarHBondContact OE1-O 3.05Å; Q512-P529 PolarHBondContact N-O 3.35Å; Q512-V531 VanDerWaalsContact OE1-CG2 3.24Å
513E87.4Confident83.2Confident131 Ų13152.8 Ų52.861%0.61229%0.286SS*.Hα-helixtrans-84.9-49.6172.4-64.6-179.117200111.2S511 F515 R516 Q517S511-E513 PolarHBondContact O-N 3.23Å; S511-E513 VanDerWaalsContact O-N 3.07Å; S511-E513 PolarHBondContact OG-N 2.94Å; E513-F515 VanDerWaalsContact C-N 3.28Å; E513-F515 PolarHBondContact O-N 3.46Å; E513-R516 PolarHBondContact O-N 3.08Å; E513-Q517 WeakPolarHBondContact O-CG 3.35Å; E513-Q517 PolarHBondContact O-N 3.04Å; E513-Q517 VanDerWaalsContact O-N 3.11Å
514Q87.2Confident81.8Confident80 Ų8059.7 Ų59.737%0.37432%0.318SS..Hα-helixtrans-58.2-41.2174.9-69.3166-16.100111.4L510 S511 Q517 Q518L510-Q514 HydrophobicContact CB-CB 4.05Å; L510-Q514 HydrophobicContact CD1-CB 4.44Å; L510-Q514 HydrophobicContact CD2-CB 4.35Å; S511-Q514 PolarHBondContact O-N 3.38Å; S511-Q514 WeakPolarHBondContact OG-CG 3.43Å; S511-Q514 PolarHBondContact OG-N 3.42Å; Q514-Q517 PolarHBondContact O-N 3.15Å; Q514-Q518 WeakPolarHBondContact O-CB 3.42Å; Q514-Q518 WeakPolarHBondContact O-CG 3.46Å; Q514-Q518 PolarHBondContact O-N 2.86Å
515F85.9Confident80.9Confident0 Ų060.3 Ų60.30%032%0.321CS..Hα-helixtrans-62.6-42.9177.8178.9-126.2000112.5V447 L510 S511 E513 Q517 Q518 C519 T522 C523 V531V447-F515 HydrophobicContact CB-CZ 4.28Å; V447-F515 HydrophobicContact CG1-CE2 3.77Å; V447-F515 HydrophobicContact CG1-CZ 3.85Å; V447-F515 HydrophobicContact CG2-CE1 4.35Å; V447-F515 HydrophobicContact CG2-CZ 3.8Å; L510-F515 HydrophobicContact CB-CB 4.23Å; L510-F515 HydrophobicContact CD1-CB 4.39Å; S511-F515 WeakPolarHBondContact O-CB 3.46Å; S511-F515 PolarHBondContact O-N 3.03Å; E513-F515 VanDerWaalsContact C-N 3.28Å; E513-F515 PolarHBondContact O-N 3.46Å; F515-Q517 VanDerWaalsContact C-N 3.31Å; F515-Q517 PolarHBondContact O-N 3.06Å; F515-Q518 PolarHBondContact O-N 3.31Å; F515-C519 HydrophobicContact CD2-CB 3.8Å; F515-C519 HydrophobicContact CE2-CB 3.51Å; F515-C519 HydrophobicContact CZ-CB 4.4Å; F515-C519 PolarHBondContact O-N 3.15Å; F515-T522 WeakPolarHBondContact CZ-O 3.34Å; F515-C523 HydrophobicContact CE1-CB 4.44Å; F515-V531 HydrophobicContact CB-CB 4.36Å; F515-V531 HydrophobicContact CB-CG2 4.46Å; F515-V531 HydrophobicContact CD1-CB 4.1Å; F515-V531 HydrophobicContact CD1-CG1 3.91Å; F515-V531 HydrophobicContact CD1-CG2 3.82Å; F515-V531 HydrophobicContact CD2-CG1 4.07Å; F515-V531 HydrophobicContact CE1-CG1 3.92Å; F515-V531 HydrophobicContact CE1-CG2 4.35Å; F515-V531 HydrophobicContact CE2-CG1 4.11Å; F515-V531 HydrophobicContact CG-CB 4.07Å; F515-V531 HydrophobicContact CG-CG1 3.99Å; F515-V531 HydrophobicContact CG-CG2 4.21Å; F515-V531 HydrophobicContact CZ-CG1 4.04Å
516R85.1Confident80.3Confident135 Ų13560 Ų6051%0.50932%0.32SS..Hα-helixtrans-64.6-33.6175-83.3178.9-73.7169.70.5112.8Q512 E513 C523Q512-R516 PolarHBondContact O-NE 3.03Å; Q512-R516 PolarHBondContact O-NH2 3.49Å; E513-R516 PolarHBondContact O-N 3.08Å; R516-C523 HydrophobicContact CG-CB 3.96Å
517Q83.9Confident79.9Confident152 Ų15264.7 Ų64.771%0.7136%0.359SS*.Hα-helixtrans-74.2-41.8176-68.3172.12.500112.7E513 Q514 F515E513-Q517 WeakPolarHBondContact O-CG 3.35Å; E513-Q517 PolarHBondContact O-N 3.04Å; E513-Q517 VanDerWaalsContact O-N 3.11Å; Q514-Q517 PolarHBondContact O-N 3.15Å; F515-Q517 VanDerWaalsContact C-N 3.31Å; F515-Q517 PolarHBondContact O-N 3.06Å
518Q80.2Confident79.8Confident117 Ų11764 Ų6455%0.54736%0.356SS..Hα-helixtrans-90.3-22.6-172.1-65.2178.72400114.1L510 Q514 F515L510-Q518 HydrophobicContact CD1-CB 4.3Å; L510-Q518 VanDerWaalsContact CD1-OE1 3.31Å; Q514-Q518 WeakPolarHBondContact O-CB 3.42Å; Q514-Q518 WeakPolarHBondContact O-CG 3.46Å; Q514-Q518 PolarHBondContact O-N 2.86Å; F515-Q518 PolarHBondContact O-N 3.31Å
519C72.5Confident79.9Confident37 Ų3763.3 Ų63.325%0.2536%0.358CS..  trans-13559.2-175.4-72.50000112.4F515 G521 T522 C523F515-C519 HydrophobicContact CD2-CB 3.8Å; F515-C519 HydrophobicContact CE2-CB 3.51Å; F515-C519 HydrophobicContact CZ-CB 4.4Å; F515-C519 PolarHBondContact O-N 3.15Å; C519-G521 VanDerWaalsContact C-N 3.27Å; C519-G521 PolarHBondContact O-N 3.21Å; C519-T522 PolarHBondContact O-N 3.37Å; C519-C523 PolarHBondContact O-N 2.88Å
520P65.1Low79.9Confident97 Ų9766.1 Ų66.163%0.6337%0.37SS*.G310 helixtrans-59.1-34.6-174.723.5-34.4000113.5T522 C523P520-T522 VanDerWaalsContact C-N 3.27Å; P520-T522 PolarHBondContact O-N 3.21Å; P520-C523 PolarHBondContact O-SG 3.41Å
521G64.4Low80.1Confident73 Ų7365.6 Ų65.675%0.75337%0.368SS*.G310 helixtrans-81.110.2177.800000115.7C519C519-G521 VanDerWaalsContact C-N 3.27Å; C519-G521 PolarHBondContact O-N 3.21Å
522T65.4Low80.2Confident21 Ų2164.1 Ų64.113%0.12936%0.357CS..G310 helixtrans-1416.3178.4-46.30000111.5R446 F515 C519 P520 E524 E525R446-T522 HydrophobicContact CB-CG2 4.49Å; F515-T522 WeakPolarHBondContact CZ-O 3.34Å; C519-T522 PolarHBondContact O-N 3.37Å; P520-T522 VanDerWaalsContact C-N 3.27Å; P520-T522 PolarHBondContact O-N 3.21Å; T522-E524 PolarHBondContact O-N 2.89Å; T522-E525 HydrophobicContact CG2-CB 4.37Å; T522-E525 HydrophobicContact CG2-CG 3.93Å; T522-E525 VanDerWaalsContact CG2-OE1 3.29Å; T522-E525 WeakPolarHBondContact CG2-OE1 3.4Å; T522-E525 WeakPolarHBondContact O-CB 3.4Å; T522-E525 PolarHBondContact O-N 2.58Å
523C60.9Low80.4Confident36 Ų3663.8 Ų63.824%0.24336%0.356CS..G310 helixtrans-67.8-20.1-170.767.50000114.4F515 R516 C519 P520 E525F515-C523 HydrophobicContact CE1-CB 4.44Å; R516-C523 HydrophobicContact CG-CB 3.96Å; C519-C523 PolarHBondContact O-N 2.88Å; P520-C523 PolarHBondContact O-SG 3.41Å; C523-E525 VanDerWaalsContact C-N 3.33Å
524E64.8Low80.6Confident146 Ų14658 Ų5868%0.68233%0.33SS*.G310 helixtrans-75.6-16.7178.7-60.9-179.3172.500113.4T522 S526T522-E524 PolarHBondContact O-N 2.89Å; E524-S526 PolarHBondContact O-N 3.21Å; E524-S526 VanDerWaalsContact O-N 3.16Å
525E73.8Confident80.7Confident14 Ų1456.8 Ų56.87%0.06533%0.326CS..G310 helixtrans-67.6-12.6-178.3-84.5-149.1-125.200115K445 R446 V447 Y481 I484 T522 C523K445-E525 WeakPolarHBondContact CA-OE2 3.46Å; K445-E525 WeakPolarHBondContact CG-OE2 3.39Å; K445-E525 PolarHBondContact NZ-O 3.49Å; K445-E525 IonicContact NZ-OE2 3.99Å; K445-E525 PolarHBondContact NZ-OE2 3.47Å; K445-E525 VanDerWaalsContact NZ-OE2 3.11Å; R446-E525 WeakPolarHBondContact CB-OE1 3.39Å; R446-E525 PolarHBondContact N-OE1 3.15Å; R446-E525 VanDerWaalsContact N-OE1 3.07Å; R446-E525 PolarHBondContact N-OE2 3.43Å; R446-E525 VanDerWaalsContact N-OE2 3.17Å; V447-E525 HydrophobicContact CG2-CB 3.42Å; V447-E525 VanDerWaalsContact CG2-CB 3.42Å; V447-E525 HydrophobicContact CG2-CG 4.32Å; Y481-E525 HydrophobicContact CE1-CG 3.87Å; Y481-E525 WeakPolarHBondContact CE1-OE2 3.43Å; Y481-E525 PolarHBondContact OH-OE2 3.24Å; I484-E525 HydrophobicContact CD1-CG 4.45Å; T522-E525 HydrophobicContact CG2-CB 4.37Å; T522-E525 HydrophobicContact CG2-CG 3.93Å; T522-E525 VanDerWaalsContact CG2-OE1 3.29Å; T522-E525 WeakPolarHBondContact CG2-OE1 3.4Å; T522-E525 WeakPolarHBondContact O-CB 3.4Å; T522-E525 PolarHBondContact O-N 2.58Å; C523-E525 VanDerWaalsContact C-N 3.33Å
526S79.2Confident80.9Confident13 Ų1361.2 Ų61.29%0.09135%0.35CS..  trans-157.9131.4-177.9171.40000112.3G449 Q512 E524 S528G449-S526 WeakPolarHBondContact CA-OG 3.34Å; Q512-S526 PolarHBondContact NE2-O 3.05Å; Q512-S526 PolarHBondContact OE1-O 3.45Å; E524-S526 PolarHBondContact O-N 3.21Å; E524-S526 VanDerWaalsContact O-N 3.16Å; S526-S528 PolarHBondContact OG-N 3.01Å; S526-S528 VanDerWaalsContact OG-N 3.12Å
527A83.2Confident81.3Confident98 Ų9855.9 Ų55.981%0.8133%0.332SS*.  trans-100.88167.300000113.6
528S88.8Confident81.6Confident33 Ų3349.9 Ų49.923%0.23130%0.304CS..SBendtrans-73.2150.6-179-67.60000112.5G449 R450 Q512 S526 F530G449-S528 VanDerWaalsContact C-OG 3.29Å; G449-S528 WeakPolarHBondContact CA-OG 3.38Å; R450-S528 VanDerWaalsContact N-CB 3.32Å; Q512-S528 WeakPolarHBondContact CB-O 3.38Å; Q512-S528 PolarHBondContact OE1-O 3.05Å; S526-S528 PolarHBondContact OG-N 3.01Å; S526-S528 VanDerWaalsContact OG-N 3.12Å; S528-F530 VanDerWaalsContact C-N 3.29Å; S528-F530 PolarHBondContact O-N 3Å
529P89.9Confident82.2Confident65 Ų6546 Ų4642%0.42229%0.287SS..SBendtrans-67.8-27-176.628.1-36.3000113.7S511 Q512S511-P529 CarbonylContact C-O 3.12Å; S511-P529 WeakPolarHBondContact CA-O 3.44Å; Q512-P529 PolarHBondContact N-O 3.35Å
530F91.9Very high83.1Confident65 Ų6544.5 Ų44.529%0.28528%0.276SS..EExtended strand (participates in β ladder)trans-119.7139.4170.2-61.6-77000110.5R450 W452 Y453 L510 S528R450-F530 PolarHBondContact N-O 3.46Å; R450-F530 PolarHBondContact O-N 3.04Å; R450-F530 VanDerWaalsContact O-N 3.1Å; R450-F530 VanDerWaalsContact O-O 3.11Å; W452-F530 VanDerWaalsContact C-CD2 3.49Å; Y453-F530 AromaticContact CD2-CD1 3.94Å; Y453-F530 HydrophobicContact CD2-CD1 3.94Å; Y453-F530 HydrophobicContact CD2-CE1 4.09Å; Y453-F530 HydrophobicContact CG-CD1 4.45Å; Y453-F530 HydrophobicContact CG-CE1 4.39Å; L510-F530 WeakPolarHBondContact O-CA 3.46Å; S528-F530 VanDerWaalsContact C-N 3.29Å; S528-F530 PolarHBondContact O-N 3Å
531V92.6Very high84.2Confident0 Ų046.5 Ų46.50%028%0.281CS..EExtended strand (participates in β ladder)trans-129.7120.1-175.2-177.10000109.8V447 E448 C509 L510 Q512 F515V447-V531 HydrophobicContact CB-CG1 3.59Å; V447-V531 HydrophobicContact CG1-CG1 4.11Å; V447-V531 HydrophobicContact CG2-CG1 3.96Å; E448-V531 WeakPolarHBondContact O-CA 3.12Å; C509-V531 WeakPolarHBondContact CA-O 3.45Å; L510-V531 PolarHBondContact N-O 2.94Å; L510-V531 PolarHBondContact O-N 3.45Å; Q512-V531 VanDerWaalsContact OE1-CG2 3.24Å; F515-V531 HydrophobicContact CB-CB 4.36Å; F515-V531 HydrophobicContact CB-CG2 4.46Å; F515-V531 HydrophobicContact CD1-CB 4.1Å; F515-V531 HydrophobicContact CD1-CG1 3.91Å; F515-V531 HydrophobicContact CD1-CG2 3.82Å; F515-V531 HydrophobicContact CD2-CG1 4.07Å; F515-V531 HydrophobicContact CE1-CG1 3.92Å; F515-V531 HydrophobicContact CE1-CG2 4.35Å; F515-V531 HydrophobicContact CE2-CG1 4.11Å; F515-V531 HydrophobicContact CG-CB 4.07Å; F515-V531 HydrophobicContact CG-CG1 3.99Å; F515-V531 HydrophobicContact CG-CG2 4.21Å; F515-V531 HydrophobicContact CZ-CG1 4.04Å
532F93.8Very high85.4Confident1 Ų147.3 Ų47.30%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-90.5122.2178.4-50.3-12.8000108.5L430 V447 E448 R450 W452 T454 V506 E508 C509L430-F532 HydrophobicContact CD2-CD2 4.4Å; L430-F532 HydrophobicContact CD2-CE2 4.23Å; V447-F532 VanDerWaalsContact CA-O 3.31Å; V447-F532 WeakPolarHBondContact CA-O 3.42Å; E448-F532 HydrophobicContact CB-CB 4.29Å; E448-F532 HydrophobicContact CB-CD2 4.45Å; E448-F532 HydrophobicContact CG-CD2 4.06Å; E448-F532 PolarHBondContact N-O 3.01Å; E448-F532 PolarHBondContact O-N 3.37Å; R450-F532 HydrophobicContact CB-CE1 4.2Å; R450-F532 HydrophobicContact CB-CE2 4.34Å; R450-F532 HydrophobicContact CB-CZ 3.79Å; R450-F532 HydrophobicContact CG-CE1 4.48Å; R450-F532 HydrophobicContact CG-CE2 3.76Å; R450-F532 HydrophobicContact CG-CZ 3.74Å; W452-F532 HydrophobicContact CH2-CE2 4.29Å; W452-F532 HydrophobicContact CH2-CZ 4.07Å; W452-F532 HydrophobicContact CZ2-CE2 4.48Å; W452-F532 HydrophobicContact CZ2-CZ 4.28Å; W452-F532 HydrophobicContact CZ3-CZ 4.27Å; T454-F532 HydrophobicContact CG2-CD1 3.91Å; T454-F532 HydrophobicContact CG2-CD2 4.24Å; T454-F532 HydrophobicContact CG2-CE1 3.63Å; T454-F532 HydrophobicContact CG2-CE2 3.96Å; T454-F532 HydrophobicContact CG2-CG 4.22Å; T454-F532 HydrophobicContact CG2-CZ 3.65Å; V506-F532 HydrophobicContact CG1-CB 4.45Å; E508-F532 CarbonylContact O-C 3.37Å; E508-F532 WeakPolarHBondContact O-CA 3.38Å; C509-F532 HydrophobicContact CB-CD1 4.05Å; C509-F532 WeakPolarHBondContact SG-CD1 3.28Å; C509-F532 VanDerWaalsContact SG-CE1 3.55Å
533I91.8Very high86.6Confident25 Ų2549.8 Ų49.813%0.12828%0.28CS..EExtended strand (participates in β ladder)trans-84.8120.4176.8-58.8-175.5000108.8V447 V506 T507 E508 L510V447-I533 HydrophobicContact CG1-CG1 4.49Å; V506-I533 WeakPolarHBondContact CA-O 3.44Å; T507-I533 PolarHBondContact N-O 3.44Å; T507-I533 WeakPolarHBondContact OG1-CG2 3.48Å; T507-I533 PolarHBondContact OG1-O 3.29Å; E508-I533 HydrophobicContact CB-CB 4.49Å; E508-I533 HydrophobicContact CB-CD1 4.28Å; E508-I533 PolarHBondContact O-N 2.94Å; L510-I533 HydrophobicContact CD1-CD1 3.75Å; L510-I533 HydrophobicContact CG-CD1 4.22Å
534C92.3Very high88Confident9 Ų950.2 Ų50.26%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-116.9123.1-173.2-65.30000111L440 R446 V504 N505L440-C534 HydrophobicContact CD1-CB 3.68Å; R446-C534 WeakPolarHBondContact O-CB 3.49Å; R446-C534 PolarHBondContact O-N 3.26Å; V504-C534 HydrophobicContact CB-CB 4.09Å; V504-C534 HydrophobicContact CG1-CB 4.48Å; V504-C534 HydrophobicContact CG2-CB 3.96Å; N505-C534 WeakPolarHBondContact O-CA 3.47Å
535N90.4Very high89.4Confident56 Ų5647.9 Ų47.930%0.29928%0.275SS..EExtended strand (participates in β ladder)trans-123.6170.2179.9-70.8-59.2000110.7N505 T507N505-N535 WeakPolarHBondContact CB-O 3.45Å; N505-N535 PolarHBondContact N-O 3.2Å; N505-N535 PolarHBondContact O-N 2.62Å; T507-N535 HydrophobicContact CG2-CB 4.21Å; T507-N535 WeakPolarHBondContact CG2-ND2 3.29Å; T507-N535 PolarHBondContact OG1-ND2 3.48Å
536N89.6Confident90.1Very high92 Ų9248.1 Ų48.149%0.49228%0.276SS..EExtended strand (participates in β ladder)trans46.365.2179.1-169.11.9000113.9N505 Q538N505-N536 HydrophobicContact CB-CB 4.35Å; N536-Q538 PolarHBondContact ND2-NE2 3.27Å; N536-Q538 PolarHBondContact OD1-NE2 3.04Å
537P92.1Very high90.6Very high23 Ų2356.5 Ų56.515%0.14931%0.311CS..EExtended strand (participates in β ladder)trans-73.4134.8178.232.2-35.4000111.4V504 S570 A572V504-P537 HydrophobicContact CG1-CB 4.17Å; P537-S570 WeakPolarHBondContact O-CB 3.5Å; P537-S570 PolarHBondContact O-N 3.39Å; P537-A572 HydrophobicContact CG-CB 3.95Å
538Q91.6Very high90.8Very high26 Ų2653.5 Ų53.512%0.12129%0.29CS..EExtended strand (participates in β ladder)trans-136.3121.8-176.2-58.3-175.3-14.100109.6G502 C503 N536 L567G502-Q538 CarbonylContact C-O 3.58Å; G502-Q538 WeakPolarHBondContact CA-O 3.42Å; C503-Q538 PolarHBondContact N-O 3.2Å; C503-Q538 PolarHBondContact O-N 3.46Å; N536-Q538 PolarHBondContact ND2-NE2 3.27Å; N536-Q538 PolarHBondContact OD1-NE2 3.04Å; Q538-L567 HydrophobicContact CB-CD2 3.95Å
539E91.8Very high90.9Very high37 Ų3756.8 Ų56.817%0.17330%0.3CS..EExtended strand (participates in β ladder)trans-90.9146.1178.8-166.8172.4-16300110.9V441 K442 K543 V568V441-E539 HydrophobicContact CG1-CB 3.71Å; V441-E539 HydrophobicContact CG1-CG 3.82Å; K442-E539 VanDerWaalsContact CE-OE2 3.27Å; K442-E539 WeakPolarHBondContact CE-OE2 3.14Å; K442-E539 IonicContact NZ-OE2 2.71Å; K442-E539 PolarHBondContact NZ-OE2 2.81Å; E539-K543 WeakPolarHBondContact OE1-CE 3.4Å; E539-K543 IonicContact OE1-NZ 3.64Å; E539-K543 PolarHBondContact OE1-NZ 3.09Å; E539-V568 PolarHBondContact N-O 2.61Å; E539-V568 PolarHBondContact O-N 3.05Å; E539-V568 VanDerWaalsContact O-N 3.15Å
540L91.7Very high90.8Very high4 Ų461.2 Ų61.22%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-83.3127.4171-71.7169.6000110.6W461 L500 L501 V542 F544 A563 G566 L567W461-L540 HydrophobicContact CZ3-CD1 4.24Å; W461-L540 HydrophobicContact CZ3-CD2 4.08Å; W461-L540 HydrophobicContact CZ3-CG 4.36Å; L500-L540 HydrophobicContact CB-CD1 4.08Å; L500-L540 HydrophobicContact CD2-CD1 3.63Å; L500-L540 HydrophobicContact CG-CD1 3.62Å; L501-L540 PolarHBondContact O-N 3.4Å; L540-V542 PolarHBondContact O-N 3.32Å; L540-F544 HydrophobicContact CD1-CD2 4.06Å; L540-F544 HydrophobicContact CD1-CE2 4.28Å; L540-A563 HydrophobicContact CD1-CB 4.07Å; L540-A563 HydrophobicContact CD2-CB 4.06Å; L540-A563 WeakPolarHBondContact CD2-O 3.48Å; L540-G566 WeakPolarHBondContact CA-O 3.42Å; L540-L567 HydrophobicContact CD2-CD2 4.03Å; L540-L567 HydrophobicContact CD2-CG 4.24Å
541L87.4Confident90.7Very high140 Ų14062.9 Ų62.973%0.73332%0.321SS*.SBendtrans-59.9-33.3172-175.266000111.8G566 V568L541-G566 PolarHBondContact N-O 2.8Å; L541-V568 HydrophobicContact CB-CG2 4.01Å
542V89.5Confident90.8Very high89 Ų8964.3 Ų64.354%0.53933%0.329SS..SBendtrans-121.7114.7177-178.60000109.2L540 F544L540-V542 PolarHBondContact O-N 3.32Å; V542-F544 WeakPolarHBondContact O-CD2 3.15Å; V542-F544 VanDerWaalsContact O-CE2 3.29Å; V542-F544 WeakPolarHBondContact O-CE2 3.37Å
543K90.9Very high90.8Very high74 Ų7465.5 Ų65.532%0.32233%0.333SS..  trans-87.1113.1-176.1-68.4170.7179.5167.60110.4P496 C499 L500 L501 E539P496-K543 HydrophobicContact CG-CD 4.09Å; C499-K543 HydrophobicContact CB-CB 4.38Å; L500-K543 WeakPolarHBondContact O-CA 3.38Å; L500-K543 WeakPolarHBondContact O-CB 3.22Å; L501-K543 HydrophobicContact CD2-CD 4.15Å; E539-K543 WeakPolarHBondContact OE1-CE 3.4Å; E539-K543 IonicContact OE1-NZ 3.64Å; E539-K543 PolarHBondContact OE1-NZ 3.09Å
544F91.8Very high90.9Very high45 Ų4570.5 Ų70.520%0.19735%0.354CS..  trans-77.4129.9-175.7-62.8-90.5000111C499 L500 L540 V542 M546 Y559 A563C499-F544 CarbonylContact C-O 3.53Å; C499-F544 WeakPolarHBondContact CA-O 3.47Å; C499-F544 VanDerWaalsContact CB-O 3.26Å; C499-F544 WeakPolarHBondContact CB-O 3.47Å; L500-F544 HydrophobicContact CB-CB 4.17Å; L500-F544 HydrophobicContact CD2-CD2 4.26Å; L500-F544 PolarHBondContact N-O 2.84Å; L540-F544 HydrophobicContact CD1-CD2 4.06Å; L540-F544 HydrophobicContact CD1-CE2 4.28Å; V542-F544 WeakPolarHBondContact O-CD2 3.15Å; V542-F544 VanDerWaalsContact O-CE2 3.29Å; V542-F544 WeakPolarHBondContact O-CE2 3.37Å; F544-M546 PolarHBondContact O-N 3.18Å; F544-Y559 HydrophobicContact CB-CD1 3.86Å; F544-Y559 HydrophobicContact CB-CE1 4.16Å; F544-Y559 AromaticContact CD1-CD1 3.98Å; F544-Y559 HydrophobicContact CD1-CD1 3.98Å; F544-Y559 HydrophobicContact CD1-CE1 4.4Å; F544-Y559 HydrophobicContact CG-CD1 4.13Å; F544-A563 HydrophobicContact CD2-CB 4.42Å; F544-A563 HydrophobicContact CE2-CB 4.13Å
545P92.7Very high90.9Very high96 Ų9670.6 Ų70.662%0.62335%0.354SS*.BIsolated β-bridgetrans-72.3123.9178.329.4-33.8000110.6
546M90.1Very high90.9Very high20 Ų2072.6 Ų72.610%0.09936%0.362CS..  trans-159.1147.6-178.149.5169.6-8700113.3A463 G498 L500 F544 W553 L555A463-M546 HydrophobicContact CB-CE 3.55Å; A463-M546 HydrophobicContact CB-SD 4.46Å; G498-M546 CarbonylContact C-O 3.51Å; G498-M546 PolarHBondContact O-N 2.85Å; L500-M546 HydrophobicContact CB-CG 4.22Å; L500-M546 HydrophobicContact CB-SD 3.68Å; L500-M546 HydrophobicContact CD1-CE 4.32Å; L500-M546 HydrophobicContact CD1-SD 3.83Å; L500-M546 HydrophobicContact CD2-SD 4.44Å; L500-M546 HydrophobicContact CG-SD 4.19Å; F544-M546 PolarHBondContact O-N 3.18Å; M546-W553 HydrophobicContact CE-CH2 3.34Å; M546-W553 HydrophobicContact CE-CZ2 3.29Å; M546-L555 HydrophobicContact CE-CD2 3.95Å; M546-L555 HydrophobicContact SD-CD2 3.98Å
547K89.7Confident90.9Very high189 Ų18971.7 Ų71.782%0.82236%0.363SS*.  trans-81125175.7-63.9-180-178.3177.90109.8
548G87.5Confident90.7Very high35 Ų3576 Ų7636%0.36138%0.38SS..  trans-64.8152.2170.700000112.3S431S431-G548 WeakPolarHBondContact OG-CA 3.43Å
549K90.3Very high90.6Very high102 Ų10277.7 Ų77.744%0.44339%0.386SS..  trans-125168.3177-48.9178.3-169.5166.40109.6S431 W553 E556S431-K549 PolarHBondContact OG-N 3.44Å; K549-W553 HydrophobicContact CB-CB 4.37Å; K549-W553 HydrophobicContact CB-CD2 3.88Å; K549-W553 HydrophobicContact CB-CG 3.74Å; K549-W553 HydrophobicContact CB-CZ2 4.5Å; K549-W553 HydrophobicContact CD-CD2 3.71Å; K549-W553 HydrophobicContact CD-CE3 3.58Å; K549-W553 HydrophobicContact CD-CG 4.2Å; K549-W553 HydrophobicContact CD-CH2 4.28Å; K549-W553 HydrophobicContact CD-CZ2 4.4Å; K549-W553 HydrophobicContact CD-CZ3 3.9Å; K549-W553 HydrophobicContact CG-CD2 3.89Å; K549-W553 HydrophobicContact CG-CE3 4.2Å; K549-W553 HydrophobicContact CG-CG 4.28Å; K549-W553 HydrophobicContact CG-CH2 4.36Å; K549-W553 HydrophobicContact CG-CZ2 4.06Å; K549-W553 HydrophobicContact CG-CZ3 4.45Å; K549-E556 IonicContact NZ-OE1 2.77Å
550H86.4Confident90.6Very high158 Ų15877 Ų7773%0.73138%0.383SS*.SBendtrans-77.6147.2-177.1-173.5-129.4000112.3
551K91.4Very high90.5Very high99 Ų9982 Ų8243%0.4341%0.406SS..SBendtrans53.9-159.3-172.4-63.3-171.9172.9-177.60112.8W452W452-K551 HydrophobicContact CD2-CD 4.25Å; W452-K551 HydrophobicContact CD2-CG 4.24Å; W452-K551 HydrophobicContact CE3-CD 4.4Å; W452-K551 HydrophobicContact CH2-CB 4.06Å; W452-K551 HydrophobicContact CH2-CG 4.47Å; W452-K551 HydrophobicContact CZ2-CB 3.89Å; W452-K551 HydrophobicContact CZ2-CG 4Å
552I93.4Very high90.6Very high31 Ų3176.3 Ų76.316%0.15938%0.382CS..EExtended strand (participates in β ladder)trans-78.8137.1167.5-73.1165000108.7W428 C429 L430 W452 T454 H456 L460W428-I552 HydrophobicContact CB-CG2 3.92Å; W428-I552 HydrophobicContact CD2-CG2 4.29Å; W428-I552 HydrophobicContact CE3-CG2 3.86Å; W428-I552 HydrophobicContact CG-CG2 4.36Å; C429-I552 CarbonylContact O-C 3.56Å; C429-I552 WeakPolarHBondContact O-CA 3.31Å; L430-I552 HydrophobicContact CB-CG1 4.17Å; L430-I552 HydrophobicContact CD1-CG1 4.13Å; W452-I552 HydrophobicContact CH2-CB 4.35Å; W452-I552 HydrophobicContact CH2-CD1 3.99Å; W452-I552 HydrophobicContact CH2-CG1 3.9Å; T454-I552 HydrophobicContact CG2-CD1 4.39Å; H456-I552 HydrophobicContact CB-CD1 4.11Å; L460-I552 HydrophobicContact CD1-CD1 4.09Å; L460-I552 HydrophobicContact CD1-CG1 4.02Å; L460-I552 HydrophobicContact CD1-CG2 4.24Å; L460-I552 HydrophobicContact CD2-CD1 4.19Å
553W94.1Very high90.6Very high25 Ų2572.1 Ų72.110%0.09536%0.356CS..EExtended strand (participates in β ladder)trans-145.9158.8-175.961.7-86.9000111C429 S431 M546 K549 L555C429-W553 HydrophobicContact CB-CD2 4.47Å; C429-W553 HydrophobicContact CB-CZ2 4.48Å; C429-W553 PolarHBondContact N-O 3.23Å; C429-W553 PolarHBondContact O-N 3.18Å; S431-W553 PolarHBondContact OG-NE1 3.43Å; M546-W553 HydrophobicContact CE-CH2 3.34Å; M546-W553 HydrophobicContact CE-CZ2 3.29Å; K549-W553 HydrophobicContact CB-CB 4.37Å; K549-W553 HydrophobicContact CB-CD2 3.88Å; K549-W553 HydrophobicContact CB-CG 3.74Å; K549-W553 HydrophobicContact CB-CZ2 4.5Å; K549-W553 HydrophobicContact CD-CD2 3.71Å; K549-W553 HydrophobicContact CD-CE3 3.58Å; K549-W553 HydrophobicContact CD-CG 4.2Å; K549-W553 HydrophobicContact CD-CH2 4.28Å; K549-W553 HydrophobicContact CD-CZ2 4.4Å; K549-W553 HydrophobicContact CD-CZ3 3.9Å; K549-W553 HydrophobicContact CG-CD2 3.89Å; K549-W553 HydrophobicContact CG-CE3 4.2Å; K549-W553 HydrophobicContact CG-CG 4.28Å; K549-W553 HydrophobicContact CG-CH2 4.36Å; K549-W553 HydrophobicContact CG-CZ2 4.06Å; K549-W553 HydrophobicContact CG-CZ3 4.45Å; W553-L555 HydrophobicContact CH2-CD2 4Å; W553-L555 HydrophobicContact CZ3-CD2 4.13Å
554K93.8Very high90.5Very high131 Ų13173.1 Ų73.157%0.5736%0.361SS*.EExtended strand (participates in β ladder)trans-89.9127.4-173.6-165.6171.6-178.7171.70112.5G426 W428G426-K554 VanDerWaalsContact O-CE 3.24Å; G426-K554 WeakPolarHBondContact O-CE 3.45Å; W428-K554 HydrophobicContact CE3-CB 4.06Å; W428-K554 HydrophobicContact CZ3-CB 3.91Å
555L92.7Very high90.2Very high11 Ų1179.7 Ų79.76%0.05839%0.389CS..PPolyproline II helixtrans-61.4150.7172-68.4177.1000111.3G427 C429 W461 L500 M546 W553 H560G427-L555 WeakPolarHBondContact O-CB 3.48Å; G427-L555 WeakPolarHBondContact O-CG 3.3Å; G427-L555 PolarHBondContact O-N 3.16Å; C429-L555 HydrophobicContact CB-CD1 4.42Å; C429-L555 HydrophobicContact CB-CD2 3.71Å; C429-L555 HydrophobicContact CB-CG 3.8Å; W461-L555 HydrophobicContact CB-CD1 3.85Å; W461-L555 HydrophobicContact CD2-CD1 4.09Å; W461-L555 HydrophobicContact CG-CD1 3.65Å; L500-L555 HydrophobicContact CD1-CD2 4.4Å; L500-L555 HydrophobicContact CD2-CD1 4.36Å; M546-L555 HydrophobicContact CE-CD2 3.95Å; M546-L555 HydrophobicContact SD-CD2 3.98Å; W553-L555 HydrophobicContact CH2-CD2 4Å; W553-L555 HydrophobicContact CZ3-CD2 4.13Å; L555-H560 HydrophobicContact CB-CB 4.19Å
556E91.5Very high89.8Confident97 Ų9775.9 Ų75.945%0.45337%0.367SS..PPolyproline II helixtrans-75140.4171.3-67.1155-145.500109.7K549 H558 Y559 H560K549-E556 IonicContact NZ-OE1 2.77Å; E556-H558 PolarHBondContact O-N 3.12Å; E556-H558 IonicContact OE2-CE1 3.42Å; E556-H558 PolarHBondContact OE2-CE1 3.06Å; E556-Y559 HydrophobicContact CB-CD2 4.21Å; E556-Y559 PolarHBondContact O-N 2.96Å; E556-H560 PolarHBondContact O-N 2.73Å
557S88.8Confident89.5Confident74 Ų7476.9 Ų76.952%0.51737%0.373SS..Hα-helixtrans-54.1-35.4-167.2-171.10000113.9H560 Q561S557-H560 PolarHBondContact O-N 3.18Å; S557-Q561 WeakPolarHBondContact O-CB 3.48Å; S557-Q561 VanDerWaalsContact O-CG 3.27Å; S557-Q561 WeakPolarHBondContact O-CG 3.36Å; S557-Q561 PolarHBondContact O-N 3.2Å; S557-Q561 PolarHBondContact OG-NE2 3.14Å
558H88.6Confident88.8Confident112 Ų11271.2 Ų71.252%0.51935%0.354SS..Hα-helixtrans-70.1-43.6179.470.4-88.4000112.9E556 H560 G562E556-H558 PolarHBondContact O-N 3.12Å; E556-H558 IonicContact OE2-CE1 3.42Å; E556-H558 PolarHBondContact OE2-CE1 3.06Å; H558-H560 VanDerWaalsContact C-N 3.33Å; H558-G562 PolarHBondContact O-N 3.43Å
559Y89.3Confident87.6Confident63 Ų6374.3 Ų74.325%0.24737%0.367CS..Hα-helixtrans-63.4-41172.1-72.4-60.5000111.2F544 E556 G562 A563F544-Y559 HydrophobicContact CB-CD1 3.86Å; F544-Y559 HydrophobicContact CB-CE1 4.16Å; F544-Y559 AromaticContact CD1-CD1 3.98Å; F544-Y559 HydrophobicContact CD1-CD1 3.98Å; F544-Y559 HydrophobicContact CD1-CE1 4.4Å; F544-Y559 HydrophobicContact CG-CD1 4.13Å; E556-Y559 HydrophobicContact CB-CD2 4.21Å; E556-Y559 PolarHBondContact O-N 2.96Å; Y559-G562 PolarHBondContact O-N 2.89Å; Y559-A563 WeakPolarHBondContact O-CB 3.07Å; Y559-A563 PolarHBondContact O-N 3.14Å
560H90.9Very high86Confident21 Ų2170.3 Ų70.310%0.09735%0.352CS..Hα-helixtrans-63.5-45.5179.7-176.2-148000112.7D425 G427 W461 L555 E556 S557 H558 A563 K564D425-H560 PolarHBondContact O-CE1 2.73Å; D425-H560 IonicContact OD1-CD2 3.93Å; D425-H560 IonicContact OD1-CE1 2.58Å; D425-H560 IonicContact OD1-NE2 2.89Å; D425-H560 PolarHBondContact OD1-NE2 3.31Å; D425-H560 IonicContact OD2-CD2 3.78Å; D425-H560 IonicContact OD2-NE2 3.92Å; D425-H560 PolarHBondContact OD2-NE2 3.21Å; G427-H560 WeakPolarHBondContact CA-CE1 3.06Å; G427-H560 WeakPolarHBondContact CA-NE2 3.48Å; G427-H560 PolarHBondContact N-CE1 3.36Å; G427-H560 VanDerWaalsContact N-CE1 3.26Å; G427-H560 PolarHBondContact N-NE2 2.77Å; W461-H560 AromaticContact CE2-CD2 3.99Å; W461-H560 AromaticContact NE1-CD2 3.64Å; W461-H560 AromaticContact NE1-NE2 3.65Å; L555-H560 HydrophobicContact CB-CB 4.19Å; E556-H560 PolarHBondContact O-N 2.73Å; S557-H560 PolarHBondContact O-N 3.18Å; H558-H560 VanDerWaalsContact C-N 3.33Å; H560-A563 PolarHBondContact O-N 3.4Å; H560-K564 PolarHBondContact CE1-NZ 3.27Å; H560-K564 VanDerWaalsContact CE1-NZ 3.32Å; H560-K564 VanDerWaalsContact NE2-CE 3.27Å; H560-K564 WeakPolarHBondContact NE2-CE 3.44Å; H560-K564 WeakPolarHBondContact O-CB 3.35Å; H560-K564 WeakPolarHBondContact O-CG 3.45Å; H560-K564 PolarHBondContact O-N 3.25Å
561Q89.6Confident84.2Confident109 Ų10967.4 Ų67.451%0.50936%0.356SS..Hα-helixtrans-67.5-37.9175.5-70.9176.939.800112.8S557 K565S557-Q561 WeakPolarHBondContact O-CB 3.48Å; S557-Q561 VanDerWaalsContact O-CG 3.27Å; S557-Q561 WeakPolarHBondContact O-CG 3.36Å; S557-Q561 PolarHBondContact O-N 3.2Å; S557-Q561 PolarHBondContact OG-NE2 3.14Å; Q561-K565 WeakPolarHBondContact O-CG 3.38Å; Q561-K565 PolarHBondContact O-N 3.23Å
562G88.8Confident81.9Confident22 Ų2264.5 Ų64.523%0.22735%0.35CS..Hα-helixtrans-64.5-45.6174.200000111.9H558 Y559 K565 G566H558-G562 PolarHBondContact O-N 3.43Å; Y559-G562 PolarHBondContact O-N 2.89Å; G562-K565 PolarHBondContact O-N 3.31Å; G562-G566 PolarHBondContact O-N 3.09Å
563A90.4Very high79.2Confident0 Ų068.3 Ų68.30%038%0.375CS..Hα-helixtrans-64.1-45.4178.800000111.9W461 L500 L540 F544 Y559 H560 K565 G566 L567W461-A563 HydrophobicContact CE3-CB 4.09Å; W461-A563 HydrophobicContact CH2-CB 3.59Å; W461-A563 HydrophobicContact CZ2-CB 4.32Å; W461-A563 HydrophobicContact CZ3-CB 3.47Å; W461-A563 VanDerWaalsContact CZ3-CB 3.47Å; L500-A563 HydrophobicContact CD2-CB 3.61Å; L540-A563 HydrophobicContact CD1-CB 4.07Å; L540-A563 HydrophobicContact CD2-CB 4.06Å; L540-A563 WeakPolarHBondContact CD2-O 3.48Å; F544-A563 HydrophobicContact CD2-CB 4.42Å; F544-A563 HydrophobicContact CE2-CB 4.13Å; Y559-A563 WeakPolarHBondContact O-CB 3.07Å; Y559-A563 PolarHBondContact O-N 3.14Å; H560-A563 PolarHBondContact O-N 3.4Å; A563-K565 PolarHBondContact O-N 3.07Å; A563-K565 VanDerWaalsContact O-N 3.1Å; A563-G566 PolarHBondContact O-N 3.46Å; A563-L567 PolarHBondContact O-N 3.37Å
564K88.5Confident78.5Confident95 Ų9570.5 Ų70.541%0.41339%0.389SS..Hα-helixtrans-51.6-34.5173.6-82.6-179.6173.3172.90113.5D425 W461 H560D425-K564 VanDerWaalsContact CG-CE 3.41Å; D425-K564 PolarHBondContact O-NZ 2.89Å; D425-K564 WeakPolarHBondContact OD2-CE 3.25Å; D425-K564 IonicContact OD2-NZ 3.38Å; W461-K564 HydrophobicContact CZ2-CG 4.02Å; H560-K564 PolarHBondContact CE1-NZ 3.27Å; H560-K564 VanDerWaalsContact CE1-NZ 3.32Å; H560-K564 VanDerWaalsContact NE2-CE 3.27Å; H560-K564 WeakPolarHBondContact NE2-CE 3.44Å; H560-K564 WeakPolarHBondContact O-CB 3.35Å; H560-K564 WeakPolarHBondContact O-CG 3.45Å; H560-K564 PolarHBondContact O-N 3.25Å
565K86.9Confident77.7Confident184 Ų18467.3 Ų67.380%0.838%0.379SS*.Hα-helixtrans-83.6-19178.1-66.6175.2-178.6-1790114.2Q561 G562 A563Q561-K565 WeakPolarHBondContact O-CG 3.38Å; Q561-K565 PolarHBondContact O-N 3.23Å; G562-K565 PolarHBondContact O-N 3.31Å; A563-K565 PolarHBondContact O-N 3.07Å; A563-K565 VanDerWaalsContact O-N 3.1Å
566G83.5Confident76.8Confident16 Ų1670.4 Ų70.417%0.16540%0.397CS..SBendtrans-100.45.1-177.600000114.8L540 L541 G562 A563L540-G566 WeakPolarHBondContact CA-O 3.42Å; L541-G566 PolarHBondContact N-O 2.8Å; G562-G566 PolarHBondContact O-N 3.09Å; A563-G566 PolarHBondContact O-N 3.46Å
567L84Confident76Confident41 Ų4168.9 Ų68.922%0.21539%0.394CS..EExtended strand (participates in β ladder)trans-69.7127.6177.1-74.9170.7000111W461 Q538 L540 A563W461-L567 HydrophobicContact CH2-CD1 3.73Å; W461-L567 HydrophobicContact CH2-CD2 3.77Å; W461-L567 HydrophobicContact CH2-CG 3.79Å; W461-L567 HydrophobicContact CZ2-CD1 4.33Å; W461-L567 HydrophobicContact CZ3-CD2 3.79Å; W461-L567 HydrophobicContact CZ3-CG 4.27Å; Q538-L567 HydrophobicContact CB-CD2 3.95Å; L540-L567 HydrophobicContact CD2-CD2 4.03Å; L540-L567 HydrophobicContact CD2-CG 4.24Å; A563-L567 PolarHBondContact O-N 3.37Å
568V74.1Confident75.2Confident69 Ų6968.6 Ų68.642%0.41839%0.386SS..EExtended strand (participates in β ladder)trans-116.6141.4164.1-173.30000106.6E539 L541 S570E539-V568 PolarHBondContact N-O 2.61Å; E539-V568 PolarHBondContact O-N 3.05Å; E539-V568 VanDerWaalsContact O-N 3.15Å; L541-V568 HydrophobicContact CB-CG2 4.01Å; V568-S570 PolarHBondContact O-N 3.36Å
569P63.1Low74.3Confident100 Ų10065.7 Ų65.765%0.64938%0.377SS*.EExtended strand (participates in β ladder)trans-52.5128.3167.2-23.333.9000108.9A571P569-A571 PolarHBondContact O-N 3.19Å
570S56.9Low73.2Confident18 Ų1865.9 Ų65.913%0.12639%0.387CS..  trans-64.2139.2172.2-172.80000108P537 V568 A572P537-S570 WeakPolarHBondContact O-CB 3.5Å; P537-S570 PolarHBondContact O-N 3.39Å; V568-S570 PolarHBondContact O-N 3.36Å; S570-A572 PolarHBondContact O-N 3.41Å
571A47.9Very low71.8Confident97 Ų9769.3 Ų69.380%0.80241%0.409SS*.  trans-70.470.5163.300000108.6P569P569-A571 PolarHBondContact O-N 3.19Å
572A42.6Very low70.4Confident38 Ų3866 Ų6631%0.31440%0.401SS..  trans-85.4126.3176.800000108.4P537 S570P537-A572 HydrophobicContact CG-CB 3.95Å; S570-A572 PolarHBondContact O-N 3.41Å
573V37.7Very low68.7Low112 Ų11270 Ų7068%0.67942%0.416SS*.  trans-82.30-176.6-174.40000109.6K81K81-V573 VanDerWaalsContact CE-C 3.46Å; K81-V573 VanDerWaalsContact CE-CG1 3.44Å; K81-V573 VanDerWaalsContact CE-OXT 3.24Å; K81-V573 WeakPolarHBondContact CE-OXT 3.47Å; K81-V573 PolarHBondContact NZ-O 3.12Å; K81-V573 PolarHBondContact NZ-OXT 3.42Å

Retrieved 573 of 573 residues in 486.6 ms (Link to these results)

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