A0A060XNT4_ONCMY Loading...

Dr1-associated corepressor

AlphaFold DB , UniProt , Accession A0A060XNT4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110531838, Length 227 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
1M50.5Low69.9Low232 Ų232164.2 Ų164.2100%1.14379%0.786SS**  0139.10-67.3178.6171.900109S3M1-S3 PolarHBondContact O-N 3.29Å
2P58.3Low72Confident130 Ų130156 Ų15684%0.84474%0.744SS**  trans-73.9117.2176.829.4-32.3000110.5K4P2-K4 PolarHBondContact O-N 2.68Å; P2-K4 VanDerWaalsContact O-N 3.17Å
3S62.2Low73.8Confident112 Ų112150.6 Ų150.678%0.78373%0.73SS**  trans-63.7115.3178.6-34.20000110.1M1 K5M1-S3 PolarHBondContact O-N 3.29Å; S3-K5 PolarHBondContact O-N 2.99Å
4K65.1Low75.3Confident216 Ų216143.6 Ų143.694%0.93970%0.703SS**  trans-58.499.5174.6-68.1177.8-179.2175.80108.8P2 K6P2-K4 PolarHBondContact O-N 2.68Å; P2-K4 VanDerWaalsContact O-N 3.17Å; K4-K6 PolarHBondContact O-N 3.08Å
5K63.5Low76.7Confident197 Ų197138.6 Ų138.686%0.85769%0.693SS**  trans-58.1123.2178-73.5-179.8179.3175.20108.6S3 K7S3-K5 PolarHBondContact O-N 2.99Å; K5-K7 PolarHBondContact O-N 2.88Å; K5-K7 VanDerWaalsContact O-N 3.1Å
6K66.6Low78Confident187 Ų187140.3 Ų140.381%0.81369%0.689SS**  trans-58.6115.4-177.1-143172.7-171.8176.60108.5K4 Y8K4-K6 PolarHBondContact O-N 3.08Å; K6-Y8 PolarHBondContact O-N 3.42Å; K6-Y8 VanDerWaalsContact O-N 3.12Å
7K66.8Low79.2Confident192 Ų192132.9 Ų132.984%0.83565%0.653SS**SBendtrans-57.9-32-167-67.7-179178.9177.60113K5K5-K7 PolarHBondContact O-N 2.88Å; K5-K7 VanDerWaalsContact O-N 3.1Å
8Y70Confident80.2Confident166 Ų166130.7 Ų130.765%0.65164%0.639SS**  trans-141.5144.3169.9-58.2-78.4000110K6 V36K6-Y8 PolarHBondContact O-N 3.42Å; K6-Y8 VanDerWaalsContact O-N 3.12Å; Y8-V36 HydrophobicContact CD1-CG1 4.46Å; Y8-V36 HydrophobicContact CG-CG1 4.07Å
9N80.9Confident81.2Confident159 Ų159131.8 Ų131.885%0.8564%0.64SS**  trans-98.590173.1-167.5-4.6000109
10A89.7Confident82Confident26 Ų26130.3 Ų130.322%0.21563%0.634CS.*  trans-99.8134.7176.800000110F12 P14 V36A10-F12 VanDerWaalsContact C-N 3.33Å; A10-P14 HydrophobicContact CB-CG 4.43Å; A10-V36 HydrophobicContact CB-CG1 4.49Å
11R94.9Very high82.7Confident189 Ų189125.8 Ų125.871%0.71361%0.612SS**SBendtrans-64.1-37.7176.217867.277.8169.59.9112.3S39 E43R11-S39 PolarHBondContact N-OG 3.01Å; R11-E43 HydrophobicContact CB-CG 3.76Å; R11-E43 WeakPolarHBondContact CB-OE1 3.45Å; R11-E43 HydrophobicContact CG-CG 4.1Å
12F95Very high84.9Confident66 Ų66118.9 Ų118.929%0.28958%0.577SS.*SBendtrans-107.3139.8-177.8-62.2-76.8000110.6A10 P14 I17 S39 L42 E43 L46A10-F12 VanDerWaalsContact C-N 3.33Å; F12-P14 VanDerWaalsContact O-CD 3.29Å; F12-P14 WeakPolarHBondContact O-CD 3.33Å; F12-I17 HydrophobicContact CB-CD1 3.85Å; F12-I17 HydrophobicContact CB-CG1 4.39Å; F12-S39 PolarHBondContact N-OG 3.19Å; F12-L42 HydrophobicContact CD2-CB 4.05Å; F12-L42 HydrophobicContact CD2-CD1 4.37Å; F12-L42 HydrophobicContact CE2-CB 3.78Å; F12-E43 HydrophobicContact CE2-CG 4.09Å; F12-L46 HydrophobicContact CE2-CD1 4.37Å; F12-L46 HydrophobicContact CZ-CD1 3.71Å
13P95.7Very high86.8Confident86 Ų86118.2 Ų118.256%0.55857%0.571SS**  trans-60.7120.1179.4-2534.9000112.3A15 R16 I17P13-A15 PolarHBondContact O-N 3.49Å; P13-A15 VanDerWaalsContact O-N 3.15Å; P13-R16 HydrophobicContact CB-CB 4.23Å; P13-R16 PolarHBondContact O-N 3.18Å; P13-I17 PolarHBondContact O-N 3Å
14P95.3Very high88.5Confident53 Ų53116.8 Ų116.834%0.34455%0.554SS.*Hα-helixtrans-55.7-35.2-179.2-30.638.3000113.7A10 F12 I17 K18 P35 V36A10-P14 HydrophobicContact CB-CG 4.43Å; F12-P14 VanDerWaalsContact O-CD 3.29Å; F12-P14 WeakPolarHBondContact O-CD 3.33Å; P14-I17 PolarHBondContact O-N 3.15Å; P14-K18 WeakPolarHBondContact O-CB 3.33Å; P14-K18 PolarHBondContact O-N 3.34Å; P14-P35 HydrophobicContact CB-CB 4.05Å; P14-P35 WeakPolarHBondContact O-CB 3.26Å; P14-V36 HydrophobicContact CB-CG2 4.46Å; P14-V36 HydrophobicContact CG-CG2 4.07Å
15A96.4Very high90Very high68 Ų68115.6 Ų115.656%0.56255%0.552SS**Hα-helixtrans-65.4-36176.600000113.1P13 K18 K19P13-A15 PolarHBondContact O-N 3.49Å; P13-A15 VanDerWaalsContact O-N 3.15Å; A15-K18 PolarHBondContact O-N 2.94Å; A15-K19 WeakPolarHBondContact O-CG 3.11Å; A15-K19 PolarHBondContact O-N 2.89Å
16R98Very high91.6Very high166 Ų166114.5 Ų114.563%0.62655%0.55SS**Hα-helixtrans-71.8-39.3176.9-17660.4176.8-166.42.7111.1P13 K19 I20P13-R16 HydrophobicContact CB-CB 4.23Å; P13-R16 PolarHBondContact O-N 3.18Å; R16-K19 PolarHBondContact O-N 2.8Å; R16-I20 HydrophobicContact CG-CD1 4.22Å; R16-I20 WeakPolarHBondContact O-CG1 3.37Å; R16-I20 PolarHBondContact O-N 2.65Å; R16-I20 VanDerWaalsContact O-N 3.11Å
17I97.9Very high93Very high15 Ų15108.4 Ų108.48%0.07753%0.526CS..Hα-helixtrans-60.7-49.3172.2-65.6171.6000109.8F12 P13 P14 K19 I20 M21 P35 I38 L42F12-I17 HydrophobicContact CB-CD1 3.85Å; F12-I17 HydrophobicContact CB-CG1 4.39Å; P13-I17 PolarHBondContact O-N 3Å; P14-I17 PolarHBondContact O-N 3.15Å; I17-K19 VanDerWaalsContact C-N 3.34Å; I17-K19 PolarHBondContact O-N 3.34Å; I17-I20 PolarHBondContact O-N 3.18Å; I17-M21 HydrophobicContact CG2-CG 4.2Å; I17-M21 HydrophobicContact CG2-SD 3.93Å; I17-M21 WeakPolarHBondContact O-CG 3.42Å; I17-M21 PolarHBondContact O-N 3.45Å; I17-P35 HydrophobicContact CB-CB 4.09Å; I17-P35 VanDerWaalsContact CD1-O 3.27Å; I17-P35 WeakPolarHBondContact CD1-O 3.17Å; I17-P35 HydrophobicContact CG2-CB 3.9Å; I17-I38 HydrophobicContact CD1-CG2 4.4Å; I17-I38 HydrophobicContact CG2-CB 4.04Å; I17-I38 HydrophobicContact CG2-CD1 4.33Å; I17-I38 HydrophobicContact CG2-CG2 3.73Å; I17-L42 HydrophobicContact CD1-CD1 4.32Å
18K97.7Very high94.3Very high92 Ų92101.7 Ų101.740%0.451%0.511SS..Hα-helixtrans-56.2-45.6177.5-170.3-173.8178.3-168.90112.1P14 A15 I20 M21 Q22 P35P14-K18 WeakPolarHBondContact O-CB 3.33Å; P14-K18 PolarHBondContact O-N 3.34Å; A15-K18 PolarHBondContact O-N 2.94Å; K18-I20 VanDerWaalsContact C-N 3.3Å; K18-I20 PolarHBondContact O-N 3.09Å; K18-M21 PolarHBondContact O-N 3.25Å; K18-Q22 VanDerWaalsContact CE-OE1 3.28Å; K18-Q22 WeakPolarHBondContact O-CG 3.5Å; K18-Q22 PolarHBondContact O-N 2.92Å; K18-P35 HydrophobicContact CB-CG 4.28Å
19K97.6Very high95.5Very high152 Ų152104.3 Ų104.366%0.66153%0.526SS*.Hα-helixtrans-60.3-35.9176-75.9-174.1178.4-170.10113.2A15 R16 I17A15-K19 WeakPolarHBondContact O-CG 3.11Å; A15-K19 PolarHBondContact O-N 2.89Å; R16-K19 PolarHBondContact O-N 2.8Å; I17-K19 VanDerWaalsContact C-N 3.34Å; I17-K19 PolarHBondContact O-N 3.34Å
20I97.8Very high96.2Very high101 Ų10198.3 Ų98.352%0.51849%0.494SS..Hα-helixtrans-75.9-38176.3-65.7165.3000111.3R16 I17 K18 Q22 T23R16-I20 HydrophobicContact CG-CD1 4.22Å; R16-I20 WeakPolarHBondContact O-CG1 3.37Å; R16-I20 PolarHBondContact O-N 2.65Å; R16-I20 VanDerWaalsContact O-N 3.11Å; I17-I20 PolarHBondContact O-N 3.18Å; K18-I20 VanDerWaalsContact C-N 3.3Å; K18-I20 PolarHBondContact O-N 3.09Å; I20-Q22 VanDerWaalsContact C-N 3.3Å; I20-Q22 PolarHBondContact O-N 3.15Å; I20-T23 PolarHBondContact O-N 3.46Å; I20-T23 PolarHBondContact O-OG1 3.36Å
21M97.6Very high96.5Very high36 Ų36100.2 Ų100.218%0.17751%0.51CS..Hα-helixtrans-60.7-41.7174.4-67.4172.970.600111.4I17 K18 T23 D24 I27 V30 V34 P35 I38I17-M21 HydrophobicContact CG2-CG 4.2Å; I17-M21 HydrophobicContact CG2-SD 3.93Å; I17-M21 WeakPolarHBondContact O-CG 3.42Å; I17-M21 PolarHBondContact O-N 3.45Å; K18-M21 PolarHBondContact O-N 3.25Å; M21-T23 PolarHBondContact O-N 3.16Å; M21-D24 PolarHBondContact O-N 3.32Å; M21-I27 HydrophobicContact CB-CG2 4.45Å; M21-V30 HydrophobicContact CE-CG1 3.81Å; M21-V30 HydrophobicContact CE-CG2 3.98Å; M21-V30 HydrophobicContact SD-CG1 4.27Å; M21-V34 HydrophobicContact CE-CG1 3.88Å; M21-P35 HydrophobicContact SD-CG 4.36Å; M21-I38 HydrophobicContact CE-CD1 3.74Å; M21-I38 HydrophobicContact CG-CD1 4.35Å; M21-I38 HydrophobicContact SD-CD1 3.47Å; M21-I38 WeakPolarHBondContact SD-CD1 3.47Å
22Q96.8Very high96.5Very high88 Ų8895.6 Ų95.641%0.41151%0.513SS..THydrogen-bonded Turntrans-84.117.9-178.2-60.8-172.2-71.700113.7K18 I20 D24 G28K18-Q22 VanDerWaalsContact CE-OE1 3.28Å; K18-Q22 WeakPolarHBondContact O-CG 3.5Å; K18-Q22 PolarHBondContact O-N 2.92Å; I20-Q22 VanDerWaalsContact C-N 3.3Å; I20-Q22 PolarHBondContact O-N 3.15Å; Q22-D24 VanDerWaalsContact C-N 3.28Å; Q22-G28 PolarHBondContact NE2-O 3.23Å
23T97.4Very high96.5Very high115 Ų11595.1 Ų95.171%0.70652%0.521SS*.THydrogen-bonded Turntrans-81.6-13.1159.965.40000112.2I20 M21I20-T23 PolarHBondContact O-N 3.46Å; I20-T23 PolarHBondContact O-OG1 3.36Å; M21-T23 PolarHBondContact O-N 3.16Å
24D97.3Very high96.6Very high82 Ų8293.8 Ų93.844%0.43951%0.511SS..SBendtrans-88.5120.5169.5-174.1-15.9000108.6M21 Q22 E26 I27M21-D24 PolarHBondContact O-N 3.32Å; Q22-D24 VanDerWaalsContact C-N 3.28Å; D24-E26 PolarHBondContact O-N 3.05Å; D24-E26 PolarHBondContact OD1-N 2.88Å; D24-E26 VanDerWaalsContact OD1-N 3.1Å; D24-I27 HydrophobicContact CB-CB 4.39Å; D24-I27 HydrophobicContact CB-CD1 3.88Å; D24-I27 HydrophobicContact CB-CG1 3.89Å; D24-I27 PolarHBondContact O-N 3.36Å; D24-I27 VanDerWaalsContact O-N 3.12Å
25E97.1Very high96.6Very high192 Ų19291.5 Ų91.590%0.89750%0.496SS*.THydrogen-bonded Turntrans-65.8-24.6-176.1-62.1-176.4173.800112.3I27E25-I27 PolarHBondContact O-N 3.06Å
26E97Very high96.6Very high174 Ų17489.8 Ų89.881%0.81348%0.479SS*.THydrogen-bonded Turntrans-76.4-10.1177.1-59.4-65.314500112.4D24 G28D24-E26 PolarHBondContact O-N 3.05Å; D24-E26 PolarHBondContact OD1-N 2.88Å; D24-E26 VanDerWaalsContact OD1-N 3.1Å; E26-G28 PolarHBondContact O-N 3.28Å
27I96.1Very high96.6Very high59 Ų5987.4 Ų87.430%0.30348%0.477SS..  trans-95.592.1-177.1-60.1-172.7000111.7M21 D24 E25 V30M21-I27 HydrophobicContact CB-CG2 4.45Å; D24-I27 HydrophobicContact CB-CB 4.39Å; D24-I27 HydrophobicContact CB-CD1 3.88Å; D24-I27 HydrophobicContact CB-CG1 3.89Å; D24-I27 PolarHBondContact O-N 3.36Å; D24-I27 VanDerWaalsContact O-N 3.12Å; E25-I27 PolarHBondContact O-N 3.06Å; I27-V30 HydrophobicContact CG2-CG2 3.72Å
28G93.3Very high96.6Very high50 Ų5089.1 Ų89.152%0.51549%0.486SS..  trans-72.5-130.3175.600000115.7Q22 E26 V30Q22-G28 PolarHBondContact NE2-O 3.23Å; E26-G28 PolarHBondContact O-N 3.28Å; G28-V30 PolarHBondContact O-N 2.96Å
29K95.6Very high96.6Very high222 Ų22284.7 Ų84.797%0.96547%0.467SS*.  trans-74110.7-175-69-176.1179.8-179.90111.8
30V96.2Very high96.5Very high32 Ų3284.3 Ų84.319%0.19446%0.461CS..  trans-89.8129.2178.6-177.30000111.9M21 I27 G28 V34 P35M21-V30 HydrophobicContact CE-CG1 3.81Å; M21-V30 HydrophobicContact CE-CG2 3.98Å; M21-V30 HydrophobicContact SD-CG1 4.27Å; I27-V30 HydrophobicContact CG2-CG2 3.72Å; G28-V30 PolarHBondContact O-N 2.96Å; V30-V34 HydrophobicContact CG1-CB 3.86Å; V30-V34 HydrophobicContact CG1-CG1 4.11Å; V30-P35 HydrophobicContact CG1-CG 4.15Å
31A96.9Very high96.5Very high66 Ų6682.1 Ų82.155%0.54546%0.458SS..  trans-68.8142.2175.900000112.6A33 V34 P35A31-A33 PolarHBondContact O-N 3.06Å; A31-V34 HydrophobicContact CB-CG2 4.25Å; A31-V34 WeakPolarHBondContact O-CB 3.48Å; A31-V34 PolarHBondContact O-N 2.97Å; A31-P35 WeakPolarHBondContact O-CD 3.46Å
32A93.8Very high96.5Very high93 Ų9383.4 Ų83.477%0.76947%0.465SS*.THydrogen-bonded Turntrans-58.4-25.5-170.200000115.6
33A95.4Very high96.5Very high56 Ų5681.2 Ų81.246%0.46346%0.455SS..THydrogen-bonded Turntrans-76.3-25.8176.700000113.6A31 V36 I37A31-A33 PolarHBondContact O-N 3.06Å; A33-V36 WeakPolarHBondContact O-CB 3.48Å; A33-V36 PolarHBondContact O-N 2.92Å; A33-I37 WeakPolarHBondContact O-CG1 3.2Å; A33-I37 PolarHBondContact O-N 3.4Å
34V96.9Very high96.5Very high57 Ų5780.3 Ų80.335%0.34545%0.445SS..Hα-helixtrans-64.4-48-171.5175.70000112.2M21 V30 A31 V36 I37 I38M21-V34 HydrophobicContact CE-CG1 3.88Å; V30-V34 HydrophobicContact CG1-CB 3.86Å; V30-V34 HydrophobicContact CG1-CG1 4.11Å; A31-V34 HydrophobicContact CB-CG2 4.25Å; A31-V34 WeakPolarHBondContact O-CB 3.48Å; A31-V34 PolarHBondContact O-N 2.97Å; V34-V36 PolarHBondContact O-N 3.03Å; V34-I37 PolarHBondContact O-N 3.04Å; V34-I37 VanDerWaalsContact O-N 3.17Å; V34-I38 HydrophobicContact CG1-CD1 3.76Å; V34-I38 HydrophobicContact CG1-CG1 4.43Å; V34-I38 WeakPolarHBondContact O-CG1 3.23Å; V34-I38 PolarHBondContact O-N 3.46Å
35P96.8Very high96.6Very high6 Ų679.1 Ų79.14%0.03944%0.436CS..Hα-helixtrans-63.5-28.2176.7-22.835.2000113.4P14 I17 K18 M21 V30 A31 S39P14-P35 HydrophobicContact CB-CB 4.05Å; P14-P35 WeakPolarHBondContact O-CB 3.26Å; I17-P35 HydrophobicContact CB-CB 4.09Å; I17-P35 VanDerWaalsContact CD1-O 3.27Å; I17-P35 WeakPolarHBondContact CD1-O 3.17Å; I17-P35 HydrophobicContact CG2-CB 3.9Å; K18-P35 HydrophobicContact CB-CG 4.28Å; M21-P35 HydrophobicContact SD-CG 4.36Å; V30-P35 HydrophobicContact CG1-CG 4.15Å; A31-P35 WeakPolarHBondContact O-CD 3.46Å; P35-S39 PolarHBondContact O-N 2.95Å
36V96.2Very high96.6Very high31 Ų3173.2 Ų73.219%0.18841%0.411CS..Hα-helixtrans-69.8-41.7175.9-178.90000110.8Y8 A10 P14 A33 V34 S39 R40Y8-V36 HydrophobicContact CD1-CG1 4.46Å; Y8-V36 HydrophobicContact CG-CG1 4.07Å; A10-V36 HydrophobicContact CB-CG1 4.49Å; P14-V36 HydrophobicContact CB-CG2 4.46Å; P14-V36 HydrophobicContact CG-CG2 4.07Å; A33-V36 WeakPolarHBondContact O-CB 3.48Å; A33-V36 PolarHBondContact O-N 2.92Å; V34-V36 PolarHBondContact O-N 3.03Å; V36-S39 WeakPolarHBondContact O-CB 3.39Å; V36-S39 PolarHBondContact O-N 2.94Å; V36-R40 PolarHBondContact O-N 3.44Å
37I96.8Very high96.6Very high116 Ų11670.9 Ų70.960%0.59540%0.4SS*.Hα-helixtrans-65.9-42.8175.1-65.3165.9000110.4A33 V34 S39 R40 A41A33-I37 WeakPolarHBondContact O-CG1 3.2Å; A33-I37 PolarHBondContact O-N 3.4Å; V34-I37 PolarHBondContact O-N 3.04Å; V34-I37 VanDerWaalsContact O-N 3.17Å; I37-S39 VanDerWaalsContact C-N 3.33Å; I37-S39 PolarHBondContact O-N 3.05Å; I37-R40 PolarHBondContact O-N 3.12Å; I37-A41 PolarHBondContact O-N 3.34Å
38I97.6Very high96.7Very high51 Ų5170.1 Ų70.126%0.26240%0.4SS..Hα-helixtrans-61.4-39.7176.6-67.7166.5000111.2I17 M21 V34 R40 A41 L42I17-I38 HydrophobicContact CD1-CG2 4.4Å; I17-I38 HydrophobicContact CG2-CB 4.04Å; I17-I38 HydrophobicContact CG2-CD1 4.33Å; I17-I38 HydrophobicContact CG2-CG2 3.73Å; M21-I38 HydrophobicContact CE-CD1 3.74Å; M21-I38 HydrophobicContact CG-CD1 4.35Å; M21-I38 HydrophobicContact SD-CD1 3.47Å; M21-I38 WeakPolarHBondContact SD-CD1 3.47Å; V34-I38 HydrophobicContact CG1-CD1 3.76Å; V34-I38 HydrophobicContact CG1-CG1 4.43Å; V34-I38 WeakPolarHBondContact O-CG1 3.23Å; V34-I38 PolarHBondContact O-N 3.46Å; I38-R40 PolarHBondContact O-N 2.95Å; I38-A41 PolarHBondContact O-N 3.03Å; I38-A41 VanDerWaalsContact O-N 3.16Å; I38-L42 HydrophobicContact CG2-CD1 4Å; I38-L42 HydrophobicContact CG2-CG 4.2Å; I38-L42 WeakPolarHBondContact O-CB 3.44Å; I38-L42 WeakPolarHBondContact O-CG 3.35Å; I38-L42 PolarHBondContact O-N 3.42Å
39S97.6Very high96.9Very high0 Ų068.6 Ų68.60%038%0.379CS..Hα-helixtrans-53-43171.9176.20000111.7R11 F12 P35 V36 I37 L42 E43R11-S39 PolarHBondContact N-OG 3.01Å; F12-S39 PolarHBondContact N-OG 3.19Å; P35-S39 PolarHBondContact O-N 2.95Å; V36-S39 WeakPolarHBondContact O-CB 3.39Å; V36-S39 PolarHBondContact O-N 2.94Å; I37-S39 VanDerWaalsContact C-N 3.33Å; I37-S39 PolarHBondContact O-N 3.05Å; S39-L42 PolarHBondContact O-N 3.21Å; S39-E43 WeakPolarHBondContact O-CG 3.5Å; S39-E43 PolarHBondContact O-N 2.81Å
40R96.9Very high97Very high144 Ų14462.1 Ų62.154%0.54336%0.355SS..Hα-helixtrans-73.5-35.8-179.4-174.355.9175.9-1751.6112.5V36 I37 I38 L42 E43 L44V36-R40 PolarHBondContact O-N 3.44Å; I37-R40 PolarHBondContact O-N 3.12Å; I38-R40 PolarHBondContact O-N 2.95Å; R40-L42 VanDerWaalsContact C-N 3.35Å; R40-E43 IonicContact CZ-OE2 3.84Å; R40-E43 IonicContact NH1-OE2 2.78Å; R40-E43 PolarHBondContact NH1-OE2 2.88Å; R40-E43 PolarHBondContact O-N 3.05Å; R40-L44 PolarHBondContact O-N 3.23Å
41A97.6Very high97.1Very high55 Ų5564.2 Ų64.246%0.45537%0.368SS..Hα-helixtrans-63.7-40.9173.100000111.7I37 I38 E43 L44 F45I37-A41 PolarHBondContact O-N 3.34Å; I38-A41 PolarHBondContact O-N 3.03Å; I38-A41 VanDerWaalsContact O-N 3.16Å; A41-E43 PolarHBondContact O-N 3.45Å; A41-L44 PolarHBondContact O-N 3.26Å; A41-F45 WeakPolarHBondContact O-CB 3.3Å; A41-F45 PolarHBondContact O-N 3.38Å
42L98Very high97.1Very high62 Ų6262.9 Ų62.933%0.32535%0.35SS..Hα-helixtrans-62.9-37.7175.7-71.7171.4000112.7F12 I17 I38 S39 R40 L46F12-L42 HydrophobicContact CD2-CB 4.05Å; F12-L42 HydrophobicContact CD2-CD1 4.37Å; F12-L42 HydrophobicContact CE2-CB 3.78Å; I17-L42 HydrophobicContact CD1-CD1 4.32Å; I38-L42 HydrophobicContact CG2-CD1 4Å; I38-L42 HydrophobicContact CG2-CG 4.2Å; I38-L42 WeakPolarHBondContact O-CB 3.44Å; I38-L42 WeakPolarHBondContact O-CG 3.35Å; I38-L42 PolarHBondContact O-N 3.42Å; S39-L42 PolarHBondContact O-N 3.21Å; R40-L42 VanDerWaalsContact C-N 3.35Å; L42-L46 WeakPolarHBondContact O-CB 3.46Å; L42-L46 VanDerWaalsContact O-CG 3.26Å; L42-L46 WeakPolarHBondContact O-CG 3.43Å; L42-L46 PolarHBondContact O-N 3.36Å
43E96.9Very high97.2Very high43 Ų4358.4 Ų58.420%0.20131%0.313CS..Hα-helixtrans-58.2-50.5172.6-71.5166.9-12600111.5R11 F12 S39 R40 A41 L46 E47R11-E43 HydrophobicContact CB-CG 3.76Å; R11-E43 WeakPolarHBondContact CB-OE1 3.45Å; R11-E43 HydrophobicContact CG-CG 4.1Å; F12-E43 HydrophobicContact CE2-CG 4.09Å; S39-E43 WeakPolarHBondContact O-CG 3.5Å; S39-E43 PolarHBondContact O-N 2.81Å; R40-E43 IonicContact CZ-OE2 3.84Å; R40-E43 IonicContact NH1-OE2 2.78Å; R40-E43 PolarHBondContact NH1-OE2 2.88Å; R40-E43 PolarHBondContact O-N 3.05Å; A41-E43 PolarHBondContact O-N 3.45Å; E43-L46 PolarHBondContact O-N 3.36Å; E43-E47 WeakPolarHBondContact O-CB 3.44Å; E43-E47 PolarHBondContact O-N 2.89Å
44L97.3Very high97.3Very high95 Ų9558.5 Ų58.550%0.49731%0.31SS..Hα-helixtrans-67.5-37.3-179.4-63.1173.5000112.5R40 A41 S48R40-L44 PolarHBondContact O-N 3.23Å; A41-L44 PolarHBondContact O-N 3.26Å; L44-S48 WeakPolarHBondContact O-CB 3.34Å; L44-S48 PolarHBondContact O-N 3.28Å
45F97.8Very high97.3Very high57 Ų5761.2 Ų61.225%0.2532%0.319CS..Hα-helixtrans-64.1-47.8175.6164-105.4000111.6A41 E47 S48 L49 F80 F82 L83A41-F45 WeakPolarHBondContact O-CB 3.3Å; A41-F45 PolarHBondContact O-N 3.38Å; F45-E47 PolarHBondContact O-N 3.47Å; F45-S48 PolarHBondContact O-N 2.82Å; F45-L49 HydrophobicContact CE1-CD2 4.36Å; F45-L49 HydrophobicContact CZ-CD2 3.95Å; F45-L49 WeakPolarHBondContact O-CB 3.46Å; F45-L49 PolarHBondContact O-N 3.16Å; F45-F80 HydrophobicContact CD2-CE1 4.23Å; F45-F80 AromaticContact CE2-CD1 3.95Å; F45-F80 HydrophobicContact CE2-CD1 3.95Å; F45-F80 AromaticContact CE2-CE1 3.85Å; F45-F80 HydrophobicContact CE2-CE1 3.85Å; F45-F82 HydrophobicContact CD2-CZ 4.48Å; F45-F82 HydrophobicContact CE2-CE1 4.17Å; F45-F82 AromaticContact CE2-CZ 3.67Å; F45-F82 HydrophobicContact CE2-CZ 3.67Å; F45-F82 AromaticContact CZ-CZ 3.82Å; F45-F82 HydrophobicContact CZ-CZ 3.82Å; F45-L83 HydrophobicContact CE2-CD1 4.47Å; F45-L83 HydrophobicContact CZ-CD1 4Å
46L97.8Very high97.3Very high68 Ų6861.8 Ų61.836%0.35632%0.322SS..Hα-helixtrans-64.5-39.1177.3-71.4170.7000111.8F12 L42 E43 S48 L49 L50F12-L46 HydrophobicContact CE2-CD1 4.37Å; F12-L46 HydrophobicContact CZ-CD1 3.71Å; L42-L46 WeakPolarHBondContact O-CB 3.46Å; L42-L46 VanDerWaalsContact O-CG 3.26Å; L42-L46 WeakPolarHBondContact O-CG 3.43Å; L42-L46 PolarHBondContact O-N 3.36Å; E43-L46 PolarHBondContact O-N 3.36Å; L46-S48 PolarHBondContact O-N 2.89Å; L46-L49 PolarHBondContact O-N 3.4Å; L46-L50 VanDerWaalsContact O-CB 3.23Å; L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 3.32Å
47E97.6Very high97.3Very high126 Ų12660.7 Ų60.759%0.58932%0.315SS*.Hα-helixtrans-59.5-44.9173.5-173.9177.816400111.6E43 F45 T51E43-E47 WeakPolarHBondContact O-CB 3.44Å; E43-E47 PolarHBondContact O-N 2.89Å; F45-E47 PolarHBondContact O-N 3.47Å; E47-T51 WeakPolarHBondContact O-CB 3.48Å; E47-T51 PolarHBondContact O-N 3.02Å; E47-T51 PolarHBondContact O-OG1 3.05Å
48S97.9Very high97.2Very high42 Ų4261 Ų6129%0.29431%0.314SS..Hα-helixtrans-64.4-49.5177.4-172.80000112.4L44 F45 L46 T51 K52L44-S48 WeakPolarHBondContact O-CB 3.34Å; L44-S48 PolarHBondContact O-N 3.28Å; F45-S48 PolarHBondContact O-N 2.82Å; L46-S48 PolarHBondContact O-N 2.89Å; S48-T51 PolarHBondContact O-N 3.26Å; S48-K52 WeakPolarHBondContact O-CG 3.41Å; S48-K52 PolarHBondContact O-N 3.14Å
49L97.8Very high97Very high18 Ų1862.6 Ų62.69%0.09433%0.33CS..Hα-helixtrans-61.1-48.5179.2178.462.6000111.7F45 L46 K52 A53 L70 I74 F80F45-L49 HydrophobicContact CE1-CD2 4.36Å; F45-L49 HydrophobicContact CZ-CD2 3.95Å; F45-L49 WeakPolarHBondContact O-CB 3.46Å; F45-L49 PolarHBondContact O-N 3.16Å; L46-L49 PolarHBondContact O-N 3.4Å; L49-K52 PolarHBondContact O-N 3.2Å; L49-A53 VanDerWaalsContact O-CB 3.29Å; L49-A53 WeakPolarHBondContact O-CB 3.29Å; L49-A53 PolarHBondContact O-N 3.28Å; L49-L70 HydrophobicContact CD1-CD2 4.44Å; L49-L70 HydrophobicContact CG-CD2 4.41Å; L49-I74 HydrophobicContact CD1-CG1 4.34Å; L49-F80 HydrophobicContact CB-CE1 4.47Å; L49-F80 HydrophobicContact CB-CE2 4.44Å; L49-F80 HydrophobicContact CB-CZ 4.03Å; L49-F80 HydrophobicContact CD1-CD2 3.86Å; L49-F80 HydrophobicContact CD1-CE2 3.67Å; L49-F80 HydrophobicContact CD1-CG 4.41Å; L49-F80 HydrophobicContact CD1-CZ 4.06Å
50L97.4Very high96.7Very high87 Ų8766.3 Ų66.346%0.45534%0.344SS..Hα-helixtrans-66.7-38.5180-68172.8000111.7L46 C54 M65L46-L50 VanDerWaalsContact O-CB 3.23Å; L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 3.32Å; L50-C54 WeakPolarHBondContact O-CB 3.36Å; L50-C54 PolarHBondContact O-N 3.32Å; L50-M65 HydrophobicContact CD2-CE 3.75Å
51T97.8Very high96.6Very high76 Ų7666.8 Ų66.847%0.46636%0.358SS..Hα-helixtrans-62.2-43.7176.4-64.90000111.7E47 S48 Q55E47-T51 WeakPolarHBondContact O-CB 3.48Å; E47-T51 PolarHBondContact O-N 3.02Å; E47-T51 PolarHBondContact O-OG1 3.05Å; S48-T51 PolarHBondContact O-N 3.26Å; T51-Q55 WeakPolarHBondContact O-CG 3.43Å; T51-Q55 PolarHBondContact O-N 2.96Å; T51-Q55 PolarHBondContact O-NE2 2.71Å
52K97.3Very high96.4Very high37 Ų3765.7 Ų65.716%0.16135%0.348CS..Hα-helixtrans-71.4-45.3178.3-70.1169.6169.2-166.90111.9S48 L49 C54 Q55 V56 C73 E77 F80S48-K52 WeakPolarHBondContact O-CG 3.41Å; S48-K52 PolarHBondContact O-N 3.14Å; L49-K52 PolarHBondContact O-N 3.2Å; K52-C54 VanDerWaalsContact C-N 3.27Å; K52-C54 PolarHBondContact O-N 3.12Å; K52-Q55 WeakPolarHBondContact O-CB 3.45Å; K52-Q55 PolarHBondContact O-N 2.94Å; K52-V56 PolarHBondContact O-N 2.9Å; K52-V56 VanDerWaalsContact O-N 3.12Å; K52-C73 WeakPolarHBondContact CB-SG 3.15Å; K52-E77 HydrophobicContact CD-CG 4.02Å; K52-E77 WeakPolarHBondContact CD-OE1 3.43Å; K52-E77 WeakPolarHBondContact CE-OE1 3.46Å; K52-E77 IonicContact NZ-OE1 3.14Å; K52-E77 PolarHBondContact NZ-OE1 3.2Å; K52-E77 VanDerWaalsContact NZ-OE1 3.14Å; K52-E77 IonicContact NZ-OE2 2.71Å; K52-E77 PolarHBondContact NZ-OE2 3.15Å; K52-F80 HydrophobicContact CB-CE2 4.43Å; K52-F80 HydrophobicContact CD-CE2 3.58Å; K52-F80 HydrophobicContact CD-CZ 3.76Å
53A96.9Very high96.2Very high0 Ų072.7 Ų72.70%038%0.376CS..Hα-helixtrans-66.5-28.7177.900000113L49 V56 T57 M65 L70 C73L49-A53 VanDerWaalsContact O-CB 3.29Å; L49-A53 WeakPolarHBondContact O-CB 3.29Å; L49-A53 PolarHBondContact O-N 3.28Å; A53-V56 PolarHBondContact O-N 3.38Å; A53-T57 WeakPolarHBondContact O-CB 3.41Å; A53-T57 PolarHBondContact O-N 3.5Å; A53-T57 PolarHBondContact O-OG1 3.1Å; A53-M65 HydrophobicContact CB-SD 3.48Å; A53-M65 WeakPolarHBondContact CB-SD 3.18Å; A53-L70 HydrophobicContact CB-CD2 3.66Å; A53-L70 HydrophobicContact CB-CG 4.37Å; A53-C73 HydrophobicContact CB-CB 3.97Å; A53-C73 PolarHBondContact N-SG 3.49Å; A53-C73 VanDerWaalsContact N-SG 3.36Å
54C97.2Very high96.1Very high57 Ų5775.7 Ų75.739%0.38540%0.397SS..Hα-helixtrans-68.3-35.1170.5-169.50000112.3L50 K52 T57 Q58L50-C54 WeakPolarHBondContact O-CB 3.36Å; L50-C54 PolarHBondContact O-N 3.32Å; K52-C54 VanDerWaalsContact C-N 3.27Å; K52-C54 PolarHBondContact O-N 3.12Å; C54-T57 PolarHBondContact O-N 3.5Å; C54-Q58 WeakPolarHBondContact O-CB 3.48Å; C54-Q58 VanDerWaalsContact O-CG 3.31Å; C54-Q58 WeakPolarHBondContact O-CG 3.37Å; C54-Q58 PolarHBondContact O-N 3.26Å; C54-Q58 PolarHBondContact O-NE2 3.4Å; C54-Q58 PolarHBondContact SG-NE2 3.01Å
55Q96.8Very high96Very high115 Ų11574.6 Ų74.654%0.53739%0.391SS..Hα-helixtrans-65.6-43.1172.6-70.816962.200111.5T51 K52 T57 Q58 S59T51-Q55 WeakPolarHBondContact O-CG 3.43Å; T51-Q55 PolarHBondContact O-N 2.96Å; T51-Q55 PolarHBondContact O-NE2 2.71Å; K52-Q55 WeakPolarHBondContact O-CB 3.45Å; K52-Q55 PolarHBondContact O-N 2.94Å; Q55-T57 VanDerWaalsContact C-N 3.33Å; Q55-T57 PolarHBondContact O-N 3.49Å; Q55-Q58 PolarHBondContact O-N 3.33Å; Q55-S59 PolarHBondContact O-N 2.69Å; Q55-S59 PolarHBondContact O-OG 2.96Å
56V95.4Very high95.9Very high18 Ų1874.9 Ų74.911%0.10940%0.397CS..Hα-helixtrans-61.2-40.6173.7177.30000111.7K52 A53 S59 R60 H69 Q72 C73 L76K52-V56 PolarHBondContact O-N 2.9Å; K52-V56 VanDerWaalsContact O-N 3.12Å; A53-V56 PolarHBondContact O-N 3.38Å; V56-S59 PolarHBondContact O-OG 3.26Å; V56-S59 VanDerWaalsContact O-OG 3.05Å; V56-R60 WeakPolarHBondContact O-CG 3.31Å; V56-R60 PolarHBondContact O-N 3.31Å; V56-H69 HydrophobicContact CG1-CB 4.24Å; V56-Q72 HydrophobicContact CG1-CB 4.07Å; V56-Q72 HydrophobicContact CG1-CG 3.89Å; V56-C73 HydrophobicContact CG2-CB 4.12Å; V56-L76 HydrophobicContact CG2-CD1 4.39Å
57T96.1Very high95.8Very high8 Ų876 Ų765%0.04941%0.407CS..Hα-helixtrans-62-43.9175.3-60.30000111.3A53 C54 Q55 A62 M65 H69A53-T57 WeakPolarHBondContact O-CB 3.41Å; A53-T57 PolarHBondContact O-N 3.5Å; A53-T57 PolarHBondContact O-OG1 3.1Å; C54-T57 PolarHBondContact O-N 3.5Å; Q55-T57 VanDerWaalsContact C-N 3.33Å; Q55-T57 PolarHBondContact O-N 3.49Å; T57-A62 HydrophobicContact CG2-CB 3.96Å; T57-A62 WeakPolarHBondContact O-CB 3.45Å; T57-A62 PolarHBondContact O-N 2.9Å; T57-M65 HydrophobicContact CG2-CB 4.33Å; T57-M65 WeakPolarHBondContact OG1-CG 3.04Å; T57-H69 PolarHBondContact OG1-ND1 3.32Å
58Q96Very high95.7Very high121 Ų12171.1 Ų71.157%0.56539%0.386SS*.Hα-helixtrans-71.4-37.7-179.8-75173.478.200113.5C54 Q55 R60 N61C54-Q58 WeakPolarHBondContact O-CB 3.48Å; C54-Q58 VanDerWaalsContact O-CG 3.31Å; C54-Q58 WeakPolarHBondContact O-CG 3.37Å; C54-Q58 PolarHBondContact O-N 3.26Å; C54-Q58 PolarHBondContact O-NE2 3.4Å; C54-Q58 PolarHBondContact SG-NE2 3.01Å; Q55-Q58 PolarHBondContact O-N 3.33Å; Q58-R60 PolarHBondContact O-N 3.11Å; Q58-N61 WeakPolarHBondContact O-CA 3.46Å; Q58-N61 PolarHBondContact O-N 3.07Å
59S94.1Very high95.6Very high86 Ų8669.2 Ų69.260%0.60137%0.373SS*.Hα-helixtrans-65.8-28.4178.367.60000112.4Q55 V56 N61Q55-S59 PolarHBondContact O-N 2.69Å; Q55-S59 PolarHBondContact O-OG 2.96Å; V56-S59 PolarHBondContact O-OG 3.26Å; V56-S59 VanDerWaalsContact O-OG 3.05Å; S59-N61 PolarHBondContact O-N 3.38Å
60R90.5Very high95.6Very high78 Ų7870.6 Ų70.629%0.29438%0.38SS..THydrogen-bonded Turntrans-83.711.3170.3-62.5-68.3-176.7177.8-3.3113.8V56 Q58 A62 M93 G95 E96 G97V56-R60 WeakPolarHBondContact O-CG 3.31Å; V56-R60 PolarHBondContact O-N 3.31Å; Q58-R60 PolarHBondContact O-N 3.11Å; R60-A62 PolarHBondContact O-N 3.4Å; R60-M93 HydrophobicContact CB-CE 3.86Å; R60-M93 HydrophobicContact CB-SD 4.48Å; R60-M93 HydrophobicContact CG-CE 3.91Å; R60-M93 HydrophobicContact CG-SD 3.89Å; R60-G95 PolarHBondContact NH1-O 3.15Å; R60-E96 PolarHBondContact NH1-O 3.08Å; R60-G97 PolarHBondContact NH2-O 3.43Å
61N93.9Very high95.5Very high154 Ų15467.2 Ų67.282%0.82436%0.362SS*.THydrogen-bonded Turntrans53.620.2-175.9-55.2117.7000115Q58 S59Q58-N61 WeakPolarHBondContact O-CA 3.46Å; Q58-N61 PolarHBondContact O-N 3.07Å; S59-N61 PolarHBondContact O-N 3.38Å
62A93.2Very high95.4Very high31 Ų3166.3 Ų66.326%0.25635%0.353SS..  trans-83.7148.7178.300000111T57 R60T57-A62 HydrophobicContact CG2-CB 3.96Å; T57-A62 WeakPolarHBondContact O-CB 3.45Å; T57-A62 PolarHBondContact O-N 2.9Å; R60-A62 PolarHBondContact O-N 3.4Å
63K94.1Very high95.4Very high209 Ų20964.6 Ų64.691%0.90935%0.345SS*.SBendtrans-98.6-15.4175-64.8179-178.1176.70113.3
64T95Very high95.4Very high106 Ų10665 Ų6565%0.6535%0.347SS*.SBendtrans-122.1128-176.4-54.50000108.2H69T64-H69 PolarHBondContact O-CE1 3.43Å
65M96Very high95.3Very high73 Ų7366.2 Ų66.236%0.3635%0.347SS..  trans-76.9128.6175-174.3168.263.600110.1L50 A53 T57 H69 L70L50-M65 HydrophobicContact CD2-CE 3.75Å; A53-M65 HydrophobicContact CB-SD 3.48Å; A53-M65 WeakPolarHBondContact CB-SD 3.18Å; T57-M65 HydrophobicContact CG2-CB 4.33Å; T57-M65 WeakPolarHBondContact OG1-CG 3.04Å; M65-H69 HydrophobicContact CG-CB 4.19Å; M65-L70 HydrophobicContact SD-CD2 4.3Å; M65-L70 HydrophobicContact SD-CG 4.29Å
66T95.9Very high95.2Very high62 Ų6266.3 Ų66.338%0.3835%0.351SS..  trans-109168.1176.663.20000110.4S68 H69 L70T66-S68 PolarHBondContact O-N 2.88Å; T66-H69 PolarHBondContact N-ND1 3Å; T66-H69 PolarHBondContact O-N 3.28Å; T66-H69 VanDerWaalsContact O-N 3.16Å; T66-L70 PolarHBondContact O-N 3.26Å
67T95.4Very high95.2Very high92 Ų9268.2 Ų68.256%0.56436%0.358SS*.Hα-helixtrans-59.9-34.3174.346.10000112.4H69 L70 K71T67-H69 PolarHBondContact O-N 2.86Å; T67-L70 WeakPolarHBondContact O-CB 3.17Å; T67-L70 PolarHBondContact O-N 2.95Å; T67-L70 VanDerWaalsContact O-N 3.15Å; T67-K71 PolarHBondContact O-N 3.45Å
68S95.9Very high95.2Very high23 Ų2375.5 Ų75.516%0.16139%0.392CS..Hα-helixtrans-66.6-31.8175.6-50.90000113.1T66 L70 Q72 P91T66-S68 PolarHBondContact O-N 2.88Å; S68-L70 VanDerWaalsContact C-N 3.35Å; S68-Q72 WeakPolarHBondContact O-CB 3.4Å; S68-Q72 PolarHBondContact O-N 3.42Å; S68-P91 PolarHBondContact OG-O 3.21Å
69H95.9Very high95.2Very high3 Ų376.4 Ų76.41%0.01440%0.396CS..Hα-helixtrans-66.5-37.4170.5-58.6156.1000111.9V56 T57 T64 M65 T66 T67 C73 M93V56-H69 HydrophobicContact CG1-CB 4.24Å; T57-H69 PolarHBondContact OG1-ND1 3.32Å; T64-H69 PolarHBondContact O-CE1 3.43Å; M65-H69 HydrophobicContact CG-CB 4.19Å; T66-H69 PolarHBondContact N-ND1 3Å; T66-H69 PolarHBondContact O-N 3.28Å; T66-H69 VanDerWaalsContact O-N 3.16Å; T67-H69 PolarHBondContact O-N 2.86Å; H69-C73 VanDerWaalsContact O-CB 3.3Å; H69-C73 WeakPolarHBondContact O-CB 3.23Å; H69-C73 PolarHBondContact O-N 3Å; H69-M93 PolarHBondContact CD2-SD 3.25Å; H69-M93 WeakPolarHBondContact NE2-CE 3.44Å
70L96.4Very high95.4Very high47 Ų4772.6 Ų72.625%0.24637%0.369CS..Hα-helixtrans-67-43.9176-78162.8000111.3L49 A53 M65 T66 T67 S68 C73 I74L49-L70 HydrophobicContact CD1-CD2 4.44Å; L49-L70 HydrophobicContact CG-CD2 4.41Å; A53-L70 HydrophobicContact CB-CD2 3.66Å; A53-L70 HydrophobicContact CB-CG 4.37Å; M65-L70 HydrophobicContact SD-CD2 4.3Å; M65-L70 HydrophobicContact SD-CG 4.29Å; T66-L70 PolarHBondContact O-N 3.26Å; T67-L70 WeakPolarHBondContact O-CB 3.17Å; T67-L70 PolarHBondContact O-N 2.95Å; T67-L70 VanDerWaalsContact O-N 3.15Å; S68-L70 VanDerWaalsContact C-N 3.35Å; L70-C73 WeakPolarHBondContact O-CB 3.46Å; L70-C73 PolarHBondContact O-N 3.36Å; L70-I74 WeakPolarHBondContact O-CD1 3.47Å; L70-I74 WeakPolarHBondContact O-CG1 3.38Å; L70-I74 PolarHBondContact O-N 3.47Å
71K96.7Very high95.7Very high16 Ų1672 Ų727%0.0737%0.371CS..Hα-helixtrans-54.8-54.5173.2-175-175.7-173.2-177.30111.2T67 C73 I74 E75 V87 V90 D92T67-K71 PolarHBondContact O-N 3.45Å; K71-C73 VanDerWaalsContact C-N 3.28Å; K71-C73 PolarHBondContact O-N 2.98Å; K71-I74 WeakPolarHBondContact O-CB 3.08Å; K71-I74 PolarHBondContact O-N 3.4Å; K71-E75 WeakPolarHBondContact CE-OE1 3.35Å; K71-E75 WeakPolarHBondContact O-CG 3.33Å; K71-E75 PolarHBondContact O-N 2.99Å; K71-V87 HydrophobicContact CB-CB 4.27Å; K71-V87 HydrophobicContact CB-CG2 4.39Å; K71-V87 HydrophobicContact CG-CB 4.16Å; K71-V87 HydrophobicContact CG-CG2 3.96Å; K71-V90 HydrophobicContact CB-CB 4.47Å; K71-V90 HydrophobicContact CB-CG1 4.31Å; K71-V90 HydrophobicContact CD-CB 4.17Å; K71-V90 HydrophobicContact CD-CG1 4.45Å; K71-V90 WeakPolarHBondContact CD-O 3.35Å; K71-V90 PolarHBondContact NZ-O 3.03Å; K71-D92 VanDerWaalsContact CE-OD1 3.26Å; K71-D92 WeakPolarHBondContact CE-OD1 3.45Å; K71-D92 IonicContact NZ-OD1 2.65Å; K71-D92 PolarHBondContact NZ-OD1 3.06Å; K71-D92 IonicContact NZ-OD2 2.68Å
72Q95.6Very high95.9Very high57 Ų5771.3 Ų71.327%0.26636%0.361SS..Hα-helixtrans-57.6-39.9178.1-17769.481.500112.5V56 S68 E75 L76V56-Q72 HydrophobicContact CG1-CB 4.07Å; V56-Q72 HydrophobicContact CG1-CG 3.89Å; S68-Q72 WeakPolarHBondContact O-CB 3.4Å; S68-Q72 PolarHBondContact O-N 3.42Å; Q72-E75 PolarHBondContact O-N 3.21Å; Q72-L76 HydrophobicContact CG-CD1 4.03Å; Q72-L76 WeakPolarHBondContact O-CD1 3.26Å; Q72-L76 VanDerWaalsContact O-CG 3.23Å; Q72-L76 WeakPolarHBondContact O-CG 3.49Å; Q72-L76 PolarHBondContact O-N 3.24Å
73C96.6Very high96.1Very high1 Ų171 Ų711%0.00736%0.355CS..Hα-helixtrans-64.5-37.6176.1-176.40000112.8K52 A53 V56 H69 L70 K71 E77K52-C73 WeakPolarHBondContact CB-SG 3.15Å; A53-C73 HydrophobicContact CB-CB 3.97Å; A53-C73 PolarHBondContact N-SG 3.49Å; A53-C73 VanDerWaalsContact N-SG 3.36Å; V56-C73 HydrophobicContact CG2-CB 4.12Å; H69-C73 VanDerWaalsContact O-CB 3.3Å; H69-C73 WeakPolarHBondContact O-CB 3.23Å; H69-C73 PolarHBondContact O-N 3Å; L70-C73 WeakPolarHBondContact O-CB 3.46Å; L70-C73 PolarHBondContact O-N 3.36Å; K71-C73 VanDerWaalsContact C-N 3.28Å; K71-C73 PolarHBondContact O-N 2.98Å; C73-E77 WeakPolarHBondContact O-CB 3.37Å; C73-E77 WeakPolarHBondContact O-CG 3.44Å
74I97.1Very high96.1Very high7 Ų764.5 Ų64.54%0.03633%0.327CS..Hα-helixtrans-71.9-35.4178.3-74.2161.3000111.1L49 L70 K71 F80 L83 K84 V87L49-I74 HydrophobicContact CD1-CG1 4.34Å; L70-I74 WeakPolarHBondContact O-CD1 3.47Å; L70-I74 WeakPolarHBondContact O-CG1 3.38Å; L70-I74 PolarHBondContact O-N 3.47Å; K71-I74 WeakPolarHBondContact O-CB 3.08Å; K71-I74 PolarHBondContact O-N 3.4Å; I74-F80 HydrophobicContact CB-CB 4.44Å; I74-F80 HydrophobicContact CG1-CB 4.21Å; I74-F80 HydrophobicContact CG2-CB 4.39Å; I74-L83 HydrophobicContact CD1-CB 3.87Å; I74-L83 HydrophobicContact CD1-CD1 3.97Å; I74-L83 HydrophobicContact CG1-CB 4.17Å; I74-L83 HydrophobicContact CG1-CD1 4.04Å; I74-L83 HydrophobicContact CG2-CB 3.86Å; I74-K84 HydrophobicContact CG2-CG 3.87Å; I74-V87 HydrophobicContact CB-CG2 4.36Å; I74-V87 HydrophobicContact CD1-CG1 3.63Å; I74-V87 HydrophobicContact CD1-CG2 4.24Å; I74-V87 HydrophobicContact CG2-CG2 3.97Å
75E95.1Very high96.2Very high83 Ų8366.7 Ų66.739%0.38834%0.335SS..Hα-helixtrans-71.8-34.4179-72.2173.5168.900113.6K71 Q72K71-E75 WeakPolarHBondContact CE-OE1 3.35Å; K71-E75 WeakPolarHBondContact O-CG 3.33Å; K71-E75 PolarHBondContact O-N 2.99Å; Q72-E75 PolarHBondContact O-N 3.21Å
76L94.3Very high96.3Very high118 Ų11869.8 Ų69.862%0.61835%0.352SS*.Hα-helixtrans-76-19.4179.7-70.9169.9000114V56 Q72V56-L76 HydrophobicContact CG2-CD1 4.39Å; Q72-L76 HydrophobicContact CG-CD1 4.03Å; Q72-L76 WeakPolarHBondContact O-CD1 3.26Å; Q72-L76 VanDerWaalsContact O-CG 3.23Å; Q72-L76 WeakPolarHBondContact O-CG 3.49Å; Q72-L76 PolarHBondContact O-N 3.24Å
77E95.8Very high96.3Very high57 Ų5767.7 Ų67.727%0.26634%0.339SS..  trans-121.5101.1-163.9-73.9-81.5-163.500111K52 C73 Q79 F80K52-E77 HydrophobicContact CD-CG 4.02Å; K52-E77 WeakPolarHBondContact CD-OE1 3.43Å; K52-E77 WeakPolarHBondContact CE-OE1 3.46Å; K52-E77 IonicContact NZ-OE1 3.14Å; K52-E77 PolarHBondContact NZ-OE1 3.2Å; K52-E77 VanDerWaalsContact NZ-OE1 3.14Å; K52-E77 IonicContact NZ-OE2 2.71Å; K52-E77 PolarHBondContact NZ-OE2 3.15Å; C73-E77 WeakPolarHBondContact O-CB 3.37Å; C73-E77 WeakPolarHBondContact O-CG 3.44Å; E77-Q79 PolarHBondContact O-N 2.9Å; E77-F80 HydrophobicContact CB-CB 4.46Å; E77-F80 HydrophobicContact CB-CD2 3.53Å; E77-F80 HydrophobicContact CB-CE2 4.04Å; E77-F80 HydrophobicContact CB-CG 4.18Å; E77-F80 HydrophobicContact CG-CD2 4.22Å; E77-F80 HydrophobicContact CG-CE2 4.3Å; E77-F80 WeakPolarHBondContact O-CA 3.45Å; E77-F80 WeakPolarHBondContact O-CB 3.43Å; E77-F80 PolarHBondContact O-N 3.41Å
78Q96.1Very high96.2Very high161 Ų16166.5 Ų66.575%0.75234%0.339SS*.G310 helixtrans-53.1-30-177.3177.6168.179.600114.1F80 D81Q78-F80 PolarHBondContact O-N 3Å; Q78-F80 VanDerWaalsContact O-N 3.16Å; Q78-D81 WeakPolarHBondContact O-CB 3.36Å; Q78-D81 VanDerWaalsContact O-CG 3.27Å; Q78-D81 PolarHBondContact O-N 3.24Å
79Q96.2Very high96.2Very high141 Ų14170.1 Ų70.166%0.65937%0.37SS*.G310 helixtrans-65-15.3176-60.1-171.7-67.800113.6E77 F82E77-Q79 PolarHBondContact O-N 2.9Å; Q79-F82 WeakPolarHBondContact O-CE1 3.47Å
80F97.4Very high96.1Very high6 Ų671.4 Ų71.43%0.02638%0.378CS..G310 helixtrans-106.87.9-179.9-57.7-27.8000112.8F45 L49 K52 I74 E77 Q78 F82 L83F45-F80 HydrophobicContact CD2-CE1 4.23Å; F45-F80 AromaticContact CE2-CD1 3.95Å; F45-F80 HydrophobicContact CE2-CD1 3.95Å; F45-F80 AromaticContact CE2-CE1 3.85Å; F45-F80 HydrophobicContact CE2-CE1 3.85Å; L49-F80 HydrophobicContact CB-CE1 4.47Å; L49-F80 HydrophobicContact CB-CE2 4.44Å; L49-F80 HydrophobicContact CB-CZ 4.03Å; L49-F80 HydrophobicContact CD1-CD2 3.86Å; L49-F80 HydrophobicContact CD1-CE2 3.67Å; L49-F80 HydrophobicContact CD1-CG 4.41Å; L49-F80 HydrophobicContact CD1-CZ 4.06Å; K52-F80 HydrophobicContact CB-CE2 4.43Å; K52-F80 HydrophobicContact CD-CE2 3.58Å; K52-F80 HydrophobicContact CD-CZ 3.76Å; I74-F80 HydrophobicContact CB-CB 4.44Å; I74-F80 HydrophobicContact CG1-CB 4.21Å; I74-F80 HydrophobicContact CG2-CB 4.39Å; E77-F80 HydrophobicContact CB-CB 4.46Å; E77-F80 HydrophobicContact CB-CD2 3.53Å; E77-F80 HydrophobicContact CB-CE2 4.04Å; E77-F80 HydrophobicContact CB-CG 4.18Å; E77-F80 HydrophobicContact CG-CD2 4.22Å; E77-F80 HydrophobicContact CG-CE2 4.3Å; E77-F80 WeakPolarHBondContact O-CA 3.45Å; E77-F80 WeakPolarHBondContact O-CB 3.43Å; E77-F80 PolarHBondContact O-N 3.41Å; Q78-F80 PolarHBondContact O-N 3Å; Q78-F80 VanDerWaalsContact O-N 3.16Å; F80-F82 PolarHBondContact O-N 3.41Å; F80-L83 HydrophobicContact CB-CD1 4.23Å; F80-L83 WeakPolarHBondContact O-CB 3.39Å; F80-L83 PolarHBondContact O-N 3.42Å
81D96.9Very high95.8Very high65 Ų6573.9 Ų73.935%0.34840%0.397SS..G310 helixtrans-52.4-33.7-178.6-81.2-5.5000113.3Q78 L83 K84Q78-D81 WeakPolarHBondContact O-CB 3.36Å; Q78-D81 VanDerWaalsContact O-CG 3.27Å; Q78-D81 PolarHBondContact O-N 3.24Å; D81-L83 PolarHBondContact O-N 3.16Å; D81-K84 HydrophobicContact CB-CD 4.42Å; D81-K84 WeakPolarHBondContact O-CB 3.27Å; D81-K84 WeakPolarHBondContact O-CG 3.16Å; D81-K84 PolarHBondContact O-N 3.25Å; D81-K84 WeakPolarHBondContact OD1-CE 3.48Å; D81-K84 IonicContact OD1-NZ 3.67Å; D81-K84 PolarHBondContact OD1-NZ 3.5Å
82F97.5Very high95.4Very high139 Ų13977.9 Ų77.961%0.6142%0.419SS*.G310 helixtrans-62.9-9.1176.475.8-85.5000114.9F45 Q79 F80F45-F82 HydrophobicContact CD2-CZ 4.48Å; F45-F82 HydrophobicContact CE2-CE1 4.17Å; F45-F82 AromaticContact CE2-CZ 3.67Å; F45-F82 HydrophobicContact CE2-CZ 3.67Å; F45-F82 AromaticContact CZ-CZ 3.82Å; F45-F82 HydrophobicContact CZ-CZ 3.82Å; Q79-F82 WeakPolarHBondContact O-CE1 3.47Å; F80-F82 PolarHBondContact O-N 3.41Å
83L97.4Very high94.7Very high24 Ų2478.2 Ų78.213%0.12642%0.421CS..G310 helixtrans-101.2-6.8176.8-58.8171.5000113.1F45 I74 F80 D81 D85 L86 V87F45-L83 HydrophobicContact CE2-CD1 4.47Å; F45-L83 HydrophobicContact CZ-CD1 4Å; I74-L83 HydrophobicContact CD1-CB 3.87Å; I74-L83 HydrophobicContact CD1-CD1 3.97Å; I74-L83 HydrophobicContact CG1-CB 4.17Å; I74-L83 HydrophobicContact CG1-CD1 4.04Å; I74-L83 HydrophobicContact CG2-CB 3.86Å; F80-L83 HydrophobicContact CB-CD1 4.23Å; F80-L83 WeakPolarHBondContact O-CB 3.39Å; F80-L83 PolarHBondContact O-N 3.42Å; D81-L83 PolarHBondContact O-N 3.16Å; L83-D85 VanDerWaalsContact C-N 3.35Å; L83-D85 PolarHBondContact O-N 2.96Å; L83-L86 HydrophobicContact CD2-CD2 4.45Å; L83-L86 WeakPolarHBondContact O-CB 3.29Å; L83-L86 PolarHBondContact O-N 2.96Å; L83-L86 VanDerWaalsContact O-N 3.09Å; L83-V87 PolarHBondContact O-N 3.03Å
84K96Very high93.3Very high74 Ų7487.6 Ų87.632%0.32247%0.465SS..Hα-helixtrans-58.2-44.8-173.4-79.2175.9166.2167.20112.4I74 D81 L86 V87 A88I74-K84 HydrophobicContact CG2-CG 3.87Å; D81-K84 HydrophobicContact CB-CD 4.42Å; D81-K84 WeakPolarHBondContact O-CB 3.27Å; D81-K84 WeakPolarHBondContact O-CG 3.16Å; D81-K84 PolarHBondContact O-N 3.25Å; D81-K84 WeakPolarHBondContact OD1-CE 3.48Å; D81-K84 IonicContact OD1-NZ 3.67Å; D81-K84 PolarHBondContact OD1-NZ 3.5Å; K84-L86 VanDerWaalsContact C-N 3.28Å; K84-L86 PolarHBondContact O-N 2.87Å; K84-V87 WeakPolarHBondContact O-CG2 3.43Å; K84-V87 PolarHBondContact O-N 3.19Å; K84-V87 VanDerWaalsContact O-N 3.15Å; K84-A88 PolarHBondContact O-N 3.4Å
85D97Very high91.5Very high152 Ų15289.6 Ų89.681%0.81349%0.487SS*.Hα-helixtrans-63.6-33.7178.5-61.8-22.5000112.4L83 V87L83-D85 VanDerWaalsContact C-N 3.35Å; L83-D85 PolarHBondContact O-N 2.96Å; D85-V87 VanDerWaalsContact C-N 3.32Å; D85-V87 PolarHBondContact O-N 3.17Å
86L96.6Very high89.4Confident138 Ų13895.3 Ų95.372%0.72351%0.514SS*.Hα-helixtrans-69-28.9177.4-175.763.9000112.7L83 K84L83-L86 HydrophobicContact CD2-CD2 4.45Å; L83-L86 WeakPolarHBondContact O-CB 3.29Å; L83-L86 PolarHBondContact O-N 2.96Å; L83-L86 VanDerWaalsContact O-N 3.09Å; K84-L86 VanDerWaalsContact C-N 3.28Å; K84-L86 PolarHBondContact O-N 2.87Å
87V96.1Very high87.4Confident17 Ų1791.7 Ų91.710%0.10351%0.505CS..Hα-helixtrans-102.9-0.7179.9-60.70000114.3K71 I74 L83 K84 D85 A89 V90K71-V87 HydrophobicContact CB-CB 4.27Å; K71-V87 HydrophobicContact CB-CG2 4.39Å; K71-V87 HydrophobicContact CG-CB 4.16Å; K71-V87 HydrophobicContact CG-CG2 3.96Å; I74-V87 HydrophobicContact CB-CG2 4.36Å; I74-V87 HydrophobicContact CD1-CG1 3.63Å; I74-V87 HydrophobicContact CD1-CG2 4.24Å; I74-V87 HydrophobicContact CG2-CG2 3.97Å; L83-V87 PolarHBondContact O-N 3.03Å; K84-V87 WeakPolarHBondContact O-CG2 3.43Å; K84-V87 PolarHBondContact O-N 3.19Å; K84-V87 VanDerWaalsContact O-N 3.15Å; D85-V87 VanDerWaalsContact C-N 3.32Å; D85-V87 PolarHBondContact O-N 3.17Å; V87-A89 PolarHBondContact O-N 2.78Å; V87-V90 HydrophobicContact CB-CG2 4.35Å; V87-V90 WeakPolarHBondContact O-CB 3.49Å; V87-V90 PolarHBondContact O-N 3.02Å
88A94.7Very high85.4Confident68 Ų6898.3 Ų98.356%0.56254%0.536SS*.THydrogen-bonded Turntrans-56-35.8-178.300000113.4K84 V90K84-A88 PolarHBondContact O-N 3.4Å; A88-V90 VanDerWaalsContact C-N 3.33Å; A88-V90 PolarHBondContact O-N 2.95Å
89A94.4Very high83.3Confident99 Ų9997.5 Ų97.582%0.81854%0.537SS*.THydrogen-bonded Turntrans-79.5-7.6178.100000114.6V87V87-A89 PolarHBondContact O-N 2.78Å
90V94.3Very high81.1Confident30 Ų3097.6 Ų97.618%0.18254%0.542CS..SBendtrans-76.9130179177.90000109.2K71 V87 A88K71-V90 HydrophobicContact CB-CB 4.47Å; K71-V90 HydrophobicContact CB-CG1 4.31Å; K71-V90 HydrophobicContact CD-CB 4.17Å; K71-V90 HydrophobicContact CD-CG1 4.45Å; K71-V90 WeakPolarHBondContact CD-O 3.35Å; K71-V90 PolarHBondContact NZ-O 3.03Å; V87-V90 HydrophobicContact CB-CG2 4.35Å; V87-V90 WeakPolarHBondContact O-CB 3.49Å; V87-V90 PolarHBondContact O-N 3.02Å; A88-V90 VanDerWaalsContact C-N 3.33Å; A88-V90 PolarHBondContact O-N 2.95Å
91P91Very high78.6Confident98 Ų98106.5 Ų106.564%0.63658%0.583SS**PPolyproline II helixtrans-61.1138.4175.5-24.634.7000112.6S68S68-P91 PolarHBondContact OG-O 3.21Å
92D86.9Confident76.1Confident100 Ų100108 Ų10854%0.53561%0.605SS.*PPolyproline II helixtrans-62.4151.6173.3-60.2-48.6000111.4K71 Q94K71-D92 VanDerWaalsContact CE-OD1 3.26Å; K71-D92 WeakPolarHBondContact CE-OD1 3.45Å; K71-D92 IonicContact NZ-OD1 2.65Å; K71-D92 PolarHBondContact NZ-OD1 3.06Å; K71-D92 IonicContact NZ-OD2 2.68Å; D92-Q94 PolarHBondContact O-N 3.25Å
93M81Confident73.4Confident64 Ų64111 Ų11132%0.31562%0.621SS.*  trans-74.497.7-175.9-164-177.3172.700110.6R60 H69 G95R60-M93 HydrophobicContact CB-CE 3.86Å; R60-M93 HydrophobicContact CB-SD 4.48Å; R60-M93 HydrophobicContact CG-CE 3.91Å; R60-M93 HydrophobicContact CG-SD 3.89Å; H69-M93 PolarHBondContact CD2-SD 3.25Å; H69-M93 WeakPolarHBondContact NE2-CE 3.44Å; M93-G95 PolarHBondContact O-N 3.44Å; M93-G95 VanDerWaalsContact O-N 3.08Å
94Q68.6Low70.5Confident199 Ų199113.6 Ų113.693%0.9365%0.653SS**  trans-72.299.5177-68.3-178.1-15.600111.1D92D92-Q94 PolarHBondContact O-N 3.25Å
95G58.8Low67.6Low49 Ų49113 Ų11351%0.50567%0.669SS.*SBendtrans172.6136.417500000112R60 M93R60-G95 PolarHBondContact NH1-O 3.15Å; M93-G95 PolarHBondContact O-N 3.44Å; M93-G95 VanDerWaalsContact O-N 3.08Å
96E49.8Very low65.2Low202 Ų202114.7 Ų114.794%0.94467%0.672SS**SBendtrans-48.3140.6-164.3-66.5-179.4127.900115.5R60R60-E96 PolarHBondContact NH1-O 3.08Å
97G54Low62.6Low42 Ų42117 Ų11743%0.43368%0.676SS.*  trans136.849.1-17900000111.4R60R60-G97 PolarHBondContact NH2-O 3.43Å
98E53.8Low59.9Low196 Ų196121.9 Ų121.992%0.91671%0.705SS**  trans-68.3111.7146.2-81.9171.977.100106.4
99D50.9Low57.5Low145 Ų145123.2 Ų123.278%0.77572%0.716SS**  trans-153.6119.6166.8-108.5-41.6000110.1
100N50Low55.4Low143 Ų143130 Ų13077%0.76572%0.721SS**SBendtrans79.876.7172.2-53.3-83.5000118.5
101H46Very low53.2Low193 Ų193140.8 Ų140.889%0.89476%0.758SS**SBend-158.5145.3112-120.9-122.4000112.3
102A44Very low50.7Low97 Ų97140 Ų14080%0.80277%0.769SS**  trans73.288.2170.600000120.2
103E40.4Very low48.8Very low201 Ų201146.7 Ų146.794%0.93979%0.786SS**  trans10.1133.8135.7-162.1-169.7157.800121.8
104G37.3Very low47.2Very low78 Ų78152.3 Ų152.380%0.80481%0.809SS**  trans11696.513700000118.1
105G34.2Very low46.3Very low63 Ų63148.9 Ų148.965%0.64980%0.804SS**  trans173.256.9174.800000118.6K107G105-K107 PolarHBondContact O-N 3.36Å
106E46.3Very low45.4Very low187 Ų187149.9 Ų149.987%0.87481%0.814SS**  trans-49.6120.5176.5-172.8-174.2129.700114.3
107K41.2Very low44.9Very low187 Ų187146.2 Ų146.281%0.81381%0.811SS**  trans-156.998.5155.617.1-125.3170.3-174.20115.7G105G105-K107 PolarHBondContact O-N 3.36Å
108V39.8Very low44.1Very low119 Ų119147.3 Ų147.372%0.72182%0.822SS**  trans47.4107133.2-1720000118.7
109A44.9Very low43.7Very low96 Ų96149.8 Ų149.879%0.79382%0.823SS**  trans-61140.1162.700000113.1
110R51.2Low43.2Very low241 Ų241150.7 Ų150.791%0.90982%0.82SS**  trans-122.8117.2160.8-74.8-165.5172.2-168-0.8111.8
111R46.1Very low42.5Very low256 Ų256151 Ų15197%0.96682%0.822SS**  trans-72.8137.1174.3-66.5170.7167176.3-5.2110.5
112G39Very low41.9Very low83 Ų83145.4 Ų145.486%0.85682%0.816SS**  trans-145.3139.9174.700000113
113R46.8Very low41.4Very low239 Ų239144.4 Ų144.490%0.90282%0.815SS**  trans-143142.8-156.4-174.4-178-165-149.49.1108.7
114K48Very low41.5Very low182 Ų182141.9 Ų141.979%0.79181%0.813SS**  cis-148.8171.426.5-138-165169.2-175.20108.4
115P49.7Very low41.6Very low127 Ų127141.8 Ų141.883%0.82581%0.812SS**  trans-88.4161.8179.136.3-29.8000113.7
116G39.8Very low42.2Very low71 Ų71144.9 Ų144.973%0.73282%0.823SS**  trans-152.3128.5163.300000108.8
117S39.2Very low42Very low125 Ų125145.9 Ų145.987%0.87482%0.824SS**  96.983.156.3178.80000113.2
118G36.8Very low42Very low65 Ų65140.8 Ų140.867%0.6783%0.825SS**  104.5136.8127.400000120
119R45.5Very low42.5Very low248 Ų248144.3 Ų144.394%0.93683%0.83SS**  trans75.5152.8152.8-59.2173.8171.5-173.1-3.3117
120K40.6Very low42.6Very low163 Ų163145.7 Ų145.771%0.70983%0.825SS**  cis-176.7133.9-21.9168.1-179.3175-174.80107.9
121N35.5Very low42.3Very low150 Ų150142.3 Ų142.380%0.80282%0.816SS**  trans57.1150.5166.2-62.611.1000116.6
122G34.2Very low42Very low75 Ų75138.8 Ų138.877%0.77381%0.808SS**  cis148.7142.911.100000109.7
123G32.8Very low42.5Very low76 Ų76142.4 Ų142.478%0.78481%0.807SS**  trans77.3160.4176.600000114.8
124V42.6Very low42.2Very low148 Ų148136.9 Ų136.990%0.89781%0.805SS**  cis-142.4145.9-1.6-177.50000107.4
125G39.9Very low42Very low76 Ų76131.4 Ų131.478%0.78480%0.8SS**  trans-76157.3-177.900000114.1
126C46.5Very low41.8Very low128 Ų128131.5 Ų131.587%0.86580%0.799SS**  trans-121.5120.6160.1-170.20000109.5
127K42.4Very low42.1Very low208 Ų208136.2 Ų136.290%0.90480%0.802SS**  trans-86.7111.7166.6-85.9175.3171.7170.90108.2
128G41.4Very low42.4Very low80 Ų80135.9 Ų135.983%0.82580%0.799SS**  trans-104.994.9162.300000110.3
129K50.1Low43.1Very low193 Ų193141.4 Ų141.484%0.83981%0.807SS**  trans-97.8127.4160-84.2-171.6173.9-172.10107
130D46.6Very low43.1Very low126 Ų126138.3 Ų138.367%0.67480%0.804SS**  trans167.3149.5146-88.7-7.7000108.1
131K45.4Very low43.2Very low170 Ų170139.3 Ų139.374%0.73981%0.811SS**  cis177.7148.4-19.5-115.5-178.6-154.71120103.8
132K40.2Very low43.4Very low182 Ų182139.4 Ų139.479%0.79181%0.811SS**  trans81.4105.5147.3-146.2179.6-174.8-163.90120
133L47.9Very low43.9Very low158 Ų158142.2 Ų142.283%0.82781%0.808SS**  38.7121.1128.7-44171.6000119.7
134S41.9Very low44.5Very low124 Ų124142.9 Ų142.987%0.86780%0.801SS**  trans-139.5107132.759.10000108.6
135G42.3Very low44.5Very low66 Ų66144.9 Ų144.968%0.6880%0.801SS**  trans-93.4143.4162.500000108.9
136T46.1Very low44.6Very low130 Ų130147.4 Ų147.480%0.79880%0.796SS**  trans-143.994.3157400000106.2
137E45.7Very low44.6Very low170 Ų170146 Ų14679%0.79479%0.788SS**  trans-55146.6150.358.1-123.274.300109.8
138S46.7Very low44.8Very low117 Ų117143.7 Ų143.782%0.81878%0.78SS**  trans-150.398168.1-69.30000107.2
139E51.6Low45Very low181 Ų181145.4 Ų145.485%0.84678%0.775SS**  trans-90129.2169.3-58.8178135.500107.9
140Q45.3Very low44.8Very low184 Ų184143.5 Ų143.586%0.8677%0.774SS**  trans-175.8105.5158.9-107.5169.8-18.900104.3
141E42.3Very low44.9Very low184 Ų184146 Ų14686%0.8678%0.782SS**  66.9129.861.9-62.6-160.8164.900114.2
142D38.8Very low44.8Very low151 Ų151145.3 Ų145.381%0.80779%0.786SS**  trans94.9152.9159.4-116.1-31.7000123
143D44.5Very low45Very low134 Ų134146.2 Ų146.272%0.71779%0.793SS**  trans75.588.5174-91.6-61.4000121.4
144S45.8Very low44.8Very low90 Ų90148.1 Ų148.163%0.62980%0.798SS**  trans-30.4133.1135.541.70000116.5
145E44.2Very low44.5Very low191 Ų191149.9 Ų149.989%0.89380%0.798SS**  trans-129.5109.4139.6-72.5-168.2169.800108.9
146D41.2Very low44.1Very low128 Ų128149.4 Ų149.468%0.68479%0.792SS**  trans-80.6134.2173-171.523.4000108.8
147S45.9Very low43.8Very low100 Ų100149.1 Ų149.170%0.69980%0.796SS**  trans-12579.1179.4-74.50000109.1T149S147-T149 PolarHBondContact O-N 3.12Å; S147-T149 VanDerWaalsContact O-N 3.08Å
148E47.8Very low43.7Very low158 Ų158150 Ų15074%0.73880%0.8SS**  trans-61.9102.2164.4-63.7-74.3-15600108.6
149T43.9Very low43.1Very low117 Ų117149.8 Ų149.872%0.71880%0.798SS**  trans-92.897.4162.1510000108.3S147 E151S147-T149 PolarHBondContact O-N 3.12Å; S147-T149 VanDerWaalsContact O-N 3.08Å; T149-E151 PolarHBondContact O-N 3.3Å
150D47Very low42.7Very low152 Ų152146.2 Ų146.281%0.81379%0.793SS**  trans-52.3122156.8-91.4-59000108.9
151E47.7Very low42.2Very low179 Ų179143.5 Ų143.584%0.83679%0.789SS**  trans-121.9111158.2-75.7-171.2164.100106T149T149-E151 PolarHBondContact O-N 3.3Å
152D45.1Very low41.9Very low155 Ų155141.1 Ų141.183%0.82978%0.782SS**  trans-55.2145.2-175.5-61.3-92.3000113.3
153E43.4Very low41.9Very low202 Ų202141.8 Ų141.894%0.94479%0.785SS**  trans-78133.4167.7-61.9-153.8154.400110.6
154E43.5Very low41.8Very low198 Ų198142.2 Ų142.293%0.92578%0.783SS**  trans-112.6143.7161.1-147.3-171-171.400111.4
155D36.2Very low41.5Very low161 Ų161144.3 Ų144.386%0.86179%0.794SS**  trans-85.4161.6-164.8175.742.6000114.4
156G33.7Very low41.2Very low55 Ų55143 Ų14357%0.56779%0.788SS**  trans85.6140.1160.100000116.1
157S40.4Very low41Very low124 Ų124142.6 Ų142.687%0.86780%0.795SS**  cis-151.2138.1-1.6-78.40000110.1S159S157-S159 PolarHBondContact O-N 3.23Å
158Q42.5Very low40.4Very low190 Ų190148.6 Ų148.689%0.88880%0.803SS**  trans-86.9107.3172.7-64.5-174.7-8.300110.7S160Q158-S160 PolarHBondContact O-N 3.46Å
159S33.9Very low40.1Very low112 Ų112149.3 Ų149.378%0.78380%0.803SS**  trans-87.1101.8169.7-170.30000110.9S157S157-S159 PolarHBondContact O-N 3.23Å
160S43.6Very low39.8Very low106 Ų106152 Ų15274%0.74181%0.808SS**  trans-99115.4169.2-69.40000110.1Q158Q158-S160 PolarHBondContact O-N 3.46Å
161T35.7Very low39.4Very low126 Ų126150.3 Ų150.377%0.77381%0.808SS**  trans-121.885.4165.9570000110.5
162N35.2Very low39.9Very low134 Ų134147.1 Ų147.172%0.71780%0.803SS**  trans-78.6119.2166.617216.3000109.2
163L39.6Very low39.4Very low165 Ų165146.4 Ų146.486%0.86480%0.799SS**  trans-135.4112163.1-71.9178.3000110
164Q41.7Very low39.2Very low144 Ų144142.1 Ų142.167%0.67379%0.787SS**  trans-72.7164164.1-75.8176.7-32.100110.8
165P38.3Very low39.2Very low133 Ų133141.2 Ų141.286%0.86479%0.785SS**  -131.315611035.4-27.9000114.1
166Q38.3Very low39.9Very low164 Ų164138.9 Ų138.977%0.76678%0.778SS**  trans-101.5140.8179.7-63.7-178.9-21.800112.9
167S37.1Very low41.1Very low119 Ų119141.3 Ų141.383%0.83278%0.784SS**  trans-167.4100.714748.50000109.3
168R34.8Very low41.1Very low227 Ų227144.6 Ų144.686%0.85779%0.786SS**  84.896.679.6-175.7-178.1-93.7-126.50.2114.1
169F41.4Very low41Very low172 Ų172146.2 Ų146.275%0.75479%0.785SS**  trans55130.9150.1-72.5-116.3000118.8
170H36.2Very low41.2Very low174 Ų174148.4 Ų148.481%0.80679%0.787SS**  -166.416356.2-71.986.4000111.6
171S38.2Very low41.1Very low117 Ų117151.6 Ų151.682%0.81879%0.79SS**  trans-108179.2165.3-51.60000109.6
172P58.9Low41.6Very low112 Ų112154 Ų15473%0.72779%0.794SS**  cis-140.2-171.95.638.9-17000116.7
173D34.8Very low41.7Very low139 Ų139150.4 Ų150.474%0.74379%0.79SS**  119.4142.5129.7-119.4-47.9000122.6
174T38.3Very low41.7Very low113 Ų113149.3 Ų149.369%0.69379%0.79SS**  trans68.7103.615627.90000124.5
175M44.9Very low41.6Very low179 Ų179146.7 Ų146.788%0.88279%0.793SS**  83.5157.2123.1-84.5-146.1168.100123
176P50.8Low41.7Very low111 Ų111149.8 Ų149.872%0.72180%0.796SS**  trans-129.7-146.6-130.651.3-34.4000114.1
177P58.7Low41.5Very low107 Ų107146 Ų14670%0.69580%0.8SS**  trans-99.4165.1-137.740.6-26.4000115.4
178Q39.6Very low41.4Very low193 Ų193144.2 Ų144.290%0.90280%0.801SS**  trans-133.9136.7162.8-68.4-69.4-82.400110.5
179Y40.1Very low41.8Very low224 Ų224141.9 Ų141.988%0.87881%0.805SS**  trans-95.6-177.9176.1-128.6-100.5000110.1
180L39.3Very low42Very low158 Ų158140.4 Ų140.483%0.82781%0.81SS**  trans89.3144.4175.1-58170000114.9
181H41.5Very low42.7Very low172 Ų172140 Ų14080%0.79681%0.81SS**  cis-159171.4-14.2-17780.6000108.7
182M45.5Very low43.4Very low176 Ų176140.2 Ų140.287%0.86781%0.809SS**  trans-74.6154.7-178.3-58-161.982.900114.5
183G37.8Very low42.9Very low60 Ų60142.8 Ų142.862%0.61982%0.816SS**  trans-176.799.3164.400000109.8
184T38.9Very low43.3Very low141 Ų141139.9 Ų139.987%0.86582%0.818SS**  75.8115.886.360.60000116.2
185A40.2Very low43.7Very low89 Ų89140.2 Ų140.274%0.73683%0.825SS**  trans80.5119.5140.100000122.2
186Q39.8Very low43.8Very low198 Ų198141 Ų14193%0.92582%0.824SS**  trans68.2125133.4-66.1-176.22.600122.5
187G35Very low43.9Very low84 Ų84139.7 Ų139.787%0.86682%0.822SS**  114.2141.2126.700000117.2
188G34.9Very low43.6Very low82 Ų82139.9 Ų139.985%0.84582%0.824SS**  trans118.290.4155.500000117.3
189L41.9Very low44.2Very low178 Ų178139.4 Ų139.493%0.93282%0.821SS**  trans-44.6141.6161.3-55.5159.3000114
190V46.9Very low44.8Very low142 Ų142134 Ų13486%0.86181%0.813SS**  174.7142.4121.664.80000111.9
191M51.5Low45.3Very low164 Ų164131.5 Ų131.581%0.80881%0.809SS**  trans-80.8167.2174.9-59.8-71.1-175.900111.4
192P51.9Low45.9Very low123 Ų123131.4 Ų131.480%0.79981%0.813SS**  -140.5167.199.434.1-18.9000114.9
193L49.2Very low46.4Very low166 Ų166131.3 Ų131.387%0.86981%0.813SS**PPolyproline II helixtrans-66.9131-171.3-6775.1000112.7
194G42.6Very low47.3Very low77 Ų77132.1 Ų132.179%0.79482%0.822SS**PPolyproline II helixtrans-88.7117.8161.100000110.7F196G194-F196 PolarHBondContact O-N 3.46Å
195S46.7Very low47.9Very low120 Ų120132 Ų13284%0.83982%0.821SS**PPolyproline II helixtrans-62.6124.7177.7-70.50000112.4A197S195-A197 PolarHBondContact O-N 3.26Å
196F47.6Very low48.9Very low196 Ų196132.1 Ų132.186%0.8682%0.822SS**  trans-77.3101.2165.8-171.7-95.4000109.2G194G194-F196 PolarHBondContact O-N 3.46Å
197A52.2Low50.1Low83 Ų83128.1 Ų128.169%0.68681%0.813SS**PPolyproline II helixtrans-86.8124.1172.900000109.9S195 H199S195-A197 PolarHBondContact O-N 3.26Å; A197-H199 PolarHBondContact O-N 3.37Å
198P53.1Low51.9Low111 Ų111129.6 Ų129.672%0.72181%0.808SS**PPolyproline II helixtrans-74125.9176.929.5-32.8000110.5
199H51.5Low53.8Low184 Ų184131.2 Ų131.285%0.85280%0.803SS**PPolyproline II helixtrans-70.2136172.8-127.6-116.9000110A197 S201A197-H199 PolarHBondContact O-N 3.37Å; H199-S201 PolarHBondContact O-N 3.46Å
200P52.5Low55.2Low109 Ų109128 Ų12871%0.70879%0.793SS**PPolyproline II helixtrans-70.1131178.827.8-33.2000111L202P200-L202 PolarHBondContact O-N 3.3Å
201S49.5Very low56.3Low107 Ų107127.2 Ų127.275%0.74879%0.79SS**  trans-70.1110.1176.1-169.90000110.2H199 M203H199-S201 PolarHBondContact O-N 3.46Å; S201-M203 PolarHBondContact O-N 3.36Å
202L55.2Low56.7Low169 Ų169125 Ų12589%0.88579%0.791SS**  trans-81.4106.7170.2-84173.9000109.9P200P200-L202 PolarHBondContact O-N 3.3Å
203M56.3Low57.1Low174 Ų174127.5 Ų127.586%0.85780%0.795SS**  trans-45137.8176-48.1-161173.500111.9S201S201-M203 PolarHBondContact O-N 3.36Å
204G56.1Low57.7Low78 Ų78125.3 Ų125.380%0.80479%0.79SS**  trans-69.5151.7-163.200000115.2
205T52.3Low58.4Low138 Ų138129.8 Ų129.885%0.84779%0.79SS**  trans-113.2126154.551.40000107.6
206A60Low58.7Low91 Ų91133.4 Ų133.475%0.75279%0.791SS**PPolyproline II helixtrans-69.7144.5173.300000109.5
207P66.1Low58.9Low115 Ų115130.5 Ų130.575%0.74778%0.784SS**PPolyproline II helixtrans-63144.5170.827.9-33.8000110
208P72.5Confident58.9Low115 Ų115135.4 Ų135.475%0.74779%0.793SS**PPolyproline II helixtrans-64.7150.1177.128.3-34.7000111
209P73.5Confident58.9Low116 Ų116137.2 Ų137.275%0.75380%0.796SS**PPolyproline II helixtrans-64.6152175.328.8-35000111.3
210P72.4Confident59.1Low111 Ų111135 Ų13572%0.72179%0.791SS**PPolyproline II helixtrans-63.6152.117428.8-35.1000111S212P210-S212 PolarHBondContact O-N 3.47Å
211P69.3Low59.3Low124 Ų124137.7 Ų137.781%0.80580%0.799SS**PPolyproline II helixtrans-63.6135.3176.327.2-34.2000110.7M213P211-M213 PolarHBondContact O-N 3.1Å
212S60.7Low59.7Low118 Ų118139.3 Ų139.383%0.82580%0.8SS**PPolyproline II helixtrans-58.5127.8172.1-50.60000110P210P210-S212 PolarHBondContact O-N 3.47Å
213M60.8Low59.8Low176 Ų176139.9 Ų139.987%0.86780%0.798SS**PPolyproline II helixtrans-59.7138.8167.1-75.4178.616500109.1P211P211-M213 PolarHBondContact O-N 3.1Å
214P62Low59.8Low119 Ų119138.9 Ų138.977%0.77380%0.796SS**PPolyproline II helixtrans-61.5145.6164.728.6-33000108.8K216P214-K216 PolarHBondContact O-N 3.21Å
215H56Low59.9Low172 Ų172144.6 Ų144.680%0.79679%0.794SS**PPolyproline II helixtrans-52134.5167.5-83.2-108.3000108.8D217H215-D217 PolarHBondContact O-N 3.17Å
216K52.9Low60.5Low196 Ų196145 Ų14585%0.85279%0.792SS**PPolyproline II helixtrans-71.7119.1148.8-79.9-175.4171-172.10105P214 E218P214-K216 PolarHBondContact O-N 3.21Å; K216-E218 PolarHBondContact O-N 2.87Å
217D51.2Low60.6Low134 Ų134148.9 Ų148.972%0.71781%0.813SS**PPolyproline II helixtrans-59.3131.5164.3-61.7-66.2000107.8H215 D219H215-D217 PolarHBondContact O-N 3.17Å; D217-D219 VanDerWaalsContact C-N 3.29Å; D217-D219 PolarHBondContact O-N 3.39Å; D217-D219 VanDerWaalsContact O-N 3.15Å
218E52.7Low60.3Low187 Ų187150.6 Ų150.687%0.87482%0.816SS**  trans-78.186.8168.8-68.4172.6135.800106.1K216 D220K216-E218 PolarHBondContact O-N 2.87Å; E218-D220 PolarHBondContact O-N 3.5Å
219D53.9Low59.7Low149 Ų149152.4 Ų152.480%0.79782%0.82SS**  trans-75.6102.9163.9-78.9-43.3000107.6D217 D221D217-D219 VanDerWaalsContact C-N 3.29Å; D217-D219 PolarHBondContact O-N 3.39Å; D217-D219 VanDerWaalsContact O-N 3.15Å; D219-D221 PolarHBondContact O-N 3.39Å
220D55.9Low58.9Low137 Ų137154.4 Ų154.473%0.73382%0.824SS**  trans-53.6124.1161.1-72.3-58.1000109.7E218E218-D220 PolarHBondContact O-N 3.5Å
221D56.2Low58.1Low166 Ų166157 Ų15789%0.88883%0.83SS**  trans-135.174154.6-95.8-37.9000107D219D219-D221 PolarHBondContact O-N 3.39Å
222D56.8Low57.4Low141 Ų141159.1 Ų159.175%0.75483%0.831SS**  trans-70.1160.8157.7-92.6-38.5000110.1
223E57.2Low57.2Low180 Ų180161.8 Ų161.884%0.84183%0.832SS**  trans78.494.2167.2-46-155.4151.900119
224D58Low57Low153 Ų153160.8 Ų160.882%0.81883%0.829SS**  173108.8108.4-93.4-23.2000109
225Y57.4Low56.6Low198 Ų198164 Ų16478%0.77683%0.833SS**  65.394.671.8-156.4-73000114.2
226D65.1Low56.6Low147 Ų147163.3 Ų163.379%0.78684%0.837SS**  -159.7171116.2-145.8-10.1000111.9
227S62Low57Low172 Ų172160.4 Ų160.4100%1.20384%0.835SS**  trans-93.40-167.4-51.20000116.1

Retrieved 227 of 227 residues in 349.7 ms (Link to these results)