A0A096MFB1_POEFO Loading...

Coiled-coil domain containing 124

AlphaFold DB , UniProt , Accession A0A096MFB1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 220 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.7Low69.6Low234 Ų234152.9 Ų152.9100%1.15377%0.772SS**  0122.70-72.7176.3144.600109.2K3M1-K3 PolarHBondContact O-N 3.36Å
2P65.9Low70.9Confident125 Ų125143.7 Ų143.781%0.81274%0.737SS**  trans-69.7126.5179.8-11.526.8000110.2K4P2-K4 PolarHBondContact O-N 3.16Å
3K65.3Low72Confident194 Ų194135.5 Ų135.584%0.84370%0.704SS**  trans-60.8107.3176.8-93.8-178.7173.3177.70109.5M1 F5M1-K3 PolarHBondContact O-N 3.36Å; K3-F5 PolarHBondContact O-N 3.46Å; K3-F5 VanDerWaalsContact O-N 3.13Å
4K64.9Low73.1Confident202 Ų202130.6 Ų130.688%0.87868%0.683SS**  trans-71.9100.5171.4-61.7-174.5-178.5-176.60108P2 Q6P2-K4 PolarHBondContact O-N 3.16Å; K4-Q6 PolarHBondContact O-N 3.1Å
5F60.8Low74.2Confident172 Ų172125.7 Ų125.775%0.75467%0.669SS**  trans-67.3119.5167.1-97.5-94.6000108K3 G7K3-F5 PolarHBondContact O-N 3.46Å; K3-F5 VanDerWaalsContact O-N 3.13Å; F5-G7 VanDerWaalsContact C-N 3.33Å; F5-G7 PolarHBondContact O-N 3.12Å
6Q64.6Low75.2Confident205 Ų205125.5 Ų125.596%0.95866%0.661SS**SBendtrans-76.486.2170.9-70.4-169.3-13.900108.4K4K4-Q6 PolarHBondContact O-N 3.1Å
7G70.4Confident76.1Confident56 Ų56120.7 Ų120.758%0.57764%0.643SS**SBendtrans140.5163.9179.100000113.2F5 N9F5-G7 VanDerWaalsContact C-N 3.33Å; F5-G7 PolarHBondContact O-N 3.12Å; G7-N9 PolarHBondContact O-N 3.39Å
8E71.8Confident77.1Confident144 Ų144124.1 Ų124.167%0.67365%0.645SS**  trans-63.5130.2173.1-79.5-162.6126.600110.5S10 K16E8-S10 PolarHBondContact O-N 2.88Å; E8-S10 VanDerWaalsContact O-N 3.17Å; E8-K16 IonicContact OE1-NZ 2.78Å; E8-K16 PolarHBondContact OE1-NZ 3.43Å
9N81.9Confident78.1Confident91 Ų91126.3 Ų126.349%0.48765%0.649SS.*  trans-60.1118.4178.3177.2-11.3000110.1G7 K11 A12 A13G7-N9 PolarHBondContact O-N 3.39Å; N9-K11 PolarHBondContact O-N 3.36Å; N9-K11 VanDerWaalsContact O-N 3.12Å; N9-K11 PolarHBondContact OD1-N 2.81Å; N9-K11 VanDerWaalsContact OD1-N 3.1Å; N9-A12 HydrophobicContact CB-CB 3.99Å; N9-A12 CarbonylContact O-C 3.58Å; N9-A12 WeakPolarHBondContact O-CA 3.41Å; N9-A12 WeakPolarHBondContact O-CB 3.36Å; N9-A12 PolarHBondContact O-N 2.96Å; N9-A13 PolarHBondContact O-N 2.9Å
10S81.4Confident79Confident89 Ų89122.9 Ų122.962%0.62264%0.641SS**Hα-helixtrans-49.5-40.9-178.4174.50000113.3E8 A12 A13 T14E8-S10 PolarHBondContact O-N 2.88Å; E8-S10 VanDerWaalsContact O-N 3.17Å; S10-A12 PolarHBondContact O-N 3.18Å; S10-A13 PolarHBondContact O-N 3.47Å; S10-T14 WeakPolarHBondContact O-CG2 3.48Å; S10-T14 PolarHBondContact O-N 2.93Å; S10-T14 PolarHBondContact O-OG1 3.47Å
11K85.2Confident79.6Confident170 Ų170123.1 Ų123.174%0.73964%0.639SS**Hα-helixtrans-66.4-39.6176.4-67.8-174.9178.2-178.40112.1N9 T14 A15N9-K11 PolarHBondContact O-N 3.36Å; N9-K11 VanDerWaalsContact O-N 3.12Å; N9-K11 PolarHBondContact OD1-N 2.81Å; N9-K11 VanDerWaalsContact OD1-N 3.1Å; K11-T14 PolarHBondContact O-N 3.5Å; K11-T14 PolarHBondContact O-OG1 3.4Å; K11-A15 WeakPolarHBondContact O-CB 3.42Å; K11-A15 PolarHBondContact O-N 2.82Å
12A84.9Confident81.7Confident42 Ų42115 Ų11535%0.34761%0.609SS.*Hα-helixtrans-67.5-38.1175.300000111.8N9 S10 A15 K16N9-A12 HydrophobicContact CB-CB 3.99Å; N9-A12 CarbonylContact O-C 3.58Å; N9-A12 WeakPolarHBondContact O-CA 3.41Å; N9-A12 WeakPolarHBondContact O-CB 3.36Å; N9-A12 PolarHBondContact O-N 2.96Å; S10-A12 PolarHBondContact O-N 3.18Å; A12-A15 PolarHBondContact O-N 3.43Å; A12-K16 WeakPolarHBondContact O-CB 3.48Å; A12-K16 WeakPolarHBondContact O-CG 3.49Å; A12-K16 PolarHBondContact O-N 2.94Å
13A85.7Confident83.2Confident38 Ų38115.5 Ų115.531%0.31460%0.598SS.*Hα-helixtrans-62.7-45.4174.400000111.7N9 S10 A15 K16 A17N9-A13 PolarHBondContact O-N 2.9Å; S10-A13 PolarHBondContact O-N 3.47Å; A13-A15 PolarHBondContact O-N 3.3Å; A13-K16 PolarHBondContact O-N 3.4Å; A13-A17 WeakPolarHBondContact O-CB 3.45Å; A13-A17 PolarHBondContact O-N 2.89Å
14T86.5Confident84.7Confident66 Ų66109 Ų10941%0.40558%0.581SS.*Hα-helixtrans-64.3-37.5175.861.80000113S10 K11 A17 R18S10-T14 WeakPolarHBondContact O-CG2 3.48Å; S10-T14 PolarHBondContact O-N 2.93Å; S10-T14 PolarHBondContact O-OG1 3.47Å; K11-T14 PolarHBondContact O-N 3.5Å; K11-T14 PolarHBondContact O-OG1 3.4Å; T14-A17 PolarHBondContact O-N 2.86Å; T14-R18 WeakPolarHBondContact O-CG 3Å; T14-R18 PolarHBondContact O-N 3.24Å
15A89.9Confident86.2Confident57 Ų57103 Ų10347%0.47156%0.561SS.*Hα-helixtrans-68-41.2176.100000112K11 A12 A13 K19K11-A15 WeakPolarHBondContact O-CB 3.42Å; K11-A15 PolarHBondContact O-N 2.82Å; A12-A15 PolarHBondContact O-N 3.43Å; A13-A15 PolarHBondContact O-N 3.3Å; A15-K19 WeakPolarHBondContact O-CB 3.27Å; A15-K19 PolarHBondContact O-N 3.24Å
16K90.7Very high87.9Confident123 Ų12396.8 Ų96.854%0.53554%0.542SS..Hα-helixtrans-61.6-43.1172.4-74.3178.7-176.5-177.80111.2E8 A12 A13 K19 A20E8-K16 IonicContact OE1-NZ 2.78Å; E8-K16 PolarHBondContact OE1-NZ 3.43Å; A12-K16 WeakPolarHBondContact O-CB 3.48Å; A12-K16 WeakPolarHBondContact O-CG 3.49Å; A12-K16 PolarHBondContact O-N 2.94Å; A13-K16 PolarHBondContact O-N 3.4Å; K16-K19 PolarHBondContact O-N 2.87Å; K16-A20 WeakPolarHBondContact O-CB 3.39Å; K16-A20 PolarHBondContact O-N 2.93Å
17A91Very high89.4Confident44 Ų4490.1 Ų90.136%0.36451%0.513SS..Hα-helixtrans-60.7-49.7177.100000111.8A13 T14 K19 A20 E21A13-A17 WeakPolarHBondContact O-CB 3.45Å; A13-A17 PolarHBondContact O-N 2.89Å; T14-A17 PolarHBondContact O-N 2.86Å; A17-K19 VanDerWaalsContact C-N 3.31Å; A17-K19 PolarHBondContact O-N 3.43Å; A17-A20 WeakPolarHBondContact O-CB 3.31Å; A17-A20 PolarHBondContact O-N 2.76Å; A17-A20 VanDerWaalsContact O-N 3.11Å; A17-E21 WeakPolarHBondContact O-CG 3.5Å; A17-E21 PolarHBondContact O-N 2.94Å
18R94.1Very high90.6Very high181 Ų18190.2 Ų90.268%0.68351%0.508SS*.Hα-helixtrans-59.9-39.4176.1-72177.8-176.1163.61.2113T14 A22T14-R18 WeakPolarHBondContact O-CG 3Å; T14-R18 PolarHBondContact O-N 3.24Å; R18-A22 WeakPolarHBondContact O-CB 3.49Å; R18-A22 PolarHBondContact O-N 3.44Å
19K95.4Very high91.8Very high166 Ų16691.2 Ų91.272%0.72251%0.506SS*.Hα-helixtrans-68.1-37.3176.5-172.8172.2-178.9177.60111.8A15 K16 A17 K23A15-K19 WeakPolarHBondContact O-CB 3.27Å; A15-K19 PolarHBondContact O-N 3.24Å; K16-K19 PolarHBondContact O-N 2.87Å; A17-K19 VanDerWaalsContact C-N 3.31Å; A17-K19 PolarHBondContact O-N 3.43Å; K19-K23 WeakPolarHBondContact O-CB 3.14Å; K19-K23 PolarHBondContact O-N 2.92Å
20A95.1Very high92.6Very high59 Ų5992.6 Ų92.649%0.48851%0.507SS..Hα-helixtrans-68.1-42.9175.200000111.7K16 A17 K23 A24K16-A20 WeakPolarHBondContact O-CB 3.39Å; K16-A20 PolarHBondContact O-N 2.93Å; A17-A20 WeakPolarHBondContact O-CB 3.31Å; A17-A20 PolarHBondContact O-N 2.76Å; A17-A20 VanDerWaalsContact O-N 3.11Å; A20-K23 PolarHBondContact O-N 2.82Å; A20-A24 WeakPolarHBondContact O-CB 3.36Å; A20-A24 PolarHBondContact O-N 3Å
21E93.3Very high93.3Very high127 Ų12794.5 Ų94.559%0.59350%0.504SS*.Hα-helixtrans-62.2-47.1174.4-73.4170.3-172.500111.6A17 K23 A24 V25A17-E21 WeakPolarHBondContact O-CG 3.5Å; A17-E21 PolarHBondContact O-N 2.94Å; E21-K23 VanDerWaalsContact C-N 3.28Å; E21-K23 PolarHBondContact O-N 3.18Å; E21-A24 PolarHBondContact O-N 3.3Å; E21-V25 WeakPolarHBondContact O-CG2 3.44Å; E21-V25 PolarHBondContact O-N 2.77Å
22A96.8Very high93.8Very high63 Ų6392.4 Ų92.452%0.52150%0.495SS..Hα-helixtrans-60.2-39.7176.400000111.9R18 A26R18-A22 WeakPolarHBondContact O-CB 3.49Å; R18-A22 PolarHBondContact O-N 3.44Å; A22-A26 WeakPolarHBondContact O-CB 3.45Å; A22-A26 PolarHBondContact O-N 3.06Å
23K97.2Very high94.3Very high136 Ų13696.4 Ų96.459%0.59151%0.507SS*.Hα-helixtrans-66.4-45174.3-172.8-177.1175.1-173.10111.5K19 A20 E21 V25 A26 D27K19-K23 WeakPolarHBondContact O-CB 3.14Å; K19-K23 PolarHBondContact O-N 2.92Å; A20-K23 PolarHBondContact O-N 2.82Å; E21-K23 VanDerWaalsContact C-N 3.28Å; E21-K23 PolarHBondContact O-N 3.18Å; K23-V25 VanDerWaalsContact C-N 3.32Å; K23-V25 PolarHBondContact O-N 3.34Å; K23-A26 PolarHBondContact O-N 3.05Å; K23-D27 WeakPolarHBondContact CE-OD2 3.45Å; K23-D27 WeakPolarHBondContact O-CB 3.22Å; K23-D27 VanDerWaalsContact O-CG 3.26Å; K23-D27 PolarHBondContact O-N 2.83Å
24A96.3Very high94.8Very high59 Ų59100.9 Ų100.949%0.48852%0.521SS..Hα-helixtrans-61.8-39.9178.100000112A20 E21 D27 A28A20-A24 WeakPolarHBondContact O-CB 3.36Å; A20-A24 PolarHBondContact O-N 3Å; E21-A24 PolarHBondContact O-N 3.3Å; A24-D27 PolarHBondContact O-N 2.82Å; A24-A28 WeakPolarHBondContact O-CB 3.32Å; A24-A28 PolarHBondContact O-N 3Å
25V96.6Very high95.3Very high75 Ų75103.3 Ų103.346%0.45553%0.528SS..Hα-helixtrans-65.6-42.3174172.30000111E21 K23 A28 R29E21-V25 WeakPolarHBondContact O-CG2 3.44Å; E21-V25 PolarHBondContact O-N 2.77Å; K23-V25 VanDerWaalsContact C-N 3.32Å; K23-V25 PolarHBondContact O-N 3.34Å; V25-A28 PolarHBondContact O-N 3.29Å; V25-R29 WeakPolarHBondContact O-CB 3.24Å; V25-R29 VanDerWaalsContact O-CG 3.31Å; V25-R29 WeakPolarHBondContact O-CG 3.41Å; V25-R29 PolarHBondContact O-N 3.26Å
26A97Very high95.5Very high42 Ų42104.8 Ų104.835%0.34753%0.528SS..Hα-helixtrans-64.3-43.9176.700000112A22 K23 R29 K30A22-A26 WeakPolarHBondContact O-CB 3.45Å; A22-A26 PolarHBondContact O-N 3.06Å; K23-A26 PolarHBondContact O-N 3.05Å; A26-R29 PolarHBondContact O-N 3.32Å; A26-K30 WeakPolarHBondContact O-CG 3.49Å; A26-K30 PolarHBondContact O-N 3.37Å
27D96.2Very high95.7Very high65 Ų65101.4 Ų101.435%0.34852%0.523SS..Hα-helixtrans-67.4-37.9177.9-66.8-18.9000111K23 A24 K30 K31K23-D27 WeakPolarHBondContact CE-OD2 3.45Å; K23-D27 WeakPolarHBondContact O-CB 3.22Å; K23-D27 VanDerWaalsContact O-CG 3.26Å; K23-D27 PolarHBondContact O-N 2.83Å; A24-D27 PolarHBondContact O-N 2.82Å; D27-K30 PolarHBondContact O-N 2.82Å; D27-K31 WeakPolarHBondContact O-CG 3.35Å; D27-K31 PolarHBondContact O-N 3.11Å
28A96.5Very high95.9Very high58 Ų58106 Ų10648%0.47954%0.541SS..Hα-helixtrans-66.3-39.817400000112.3A24 V25 K31 K32A24-A28 WeakPolarHBondContact O-CB 3.32Å; A24-A28 PolarHBondContact O-N 3Å; V25-A28 PolarHBondContact O-N 3.29Å; A28-K31 PolarHBondContact O-N 3.02Å; A28-K32 WeakPolarHBondContact O-CB 3.47Å; A28-K32 PolarHBondContact O-N 3.48Å
29R96.9Very high95.8Very high165 Ų165107.7 Ų107.762%0.62355%0.547SS*.Hα-helixtrans-62.4-46.5173.7-76.8179.8-176.1-168.60.5111.6V25 A26 K31 K32 E33V25-R29 WeakPolarHBondContact O-CB 3.24Å; V25-R29 VanDerWaalsContact O-CG 3.31Å; V25-R29 WeakPolarHBondContact O-CG 3.41Å; V25-R29 PolarHBondContact O-N 3.26Å; A26-R29 PolarHBondContact O-N 3.32Å; R29-K31 PolarHBondContact O-N 2.83Å; R29-K32 PolarHBondContact O-N 3.05Å; R29-E33 VanDerWaalsContact O-CG 3.31Å; R29-E33 WeakPolarHBondContact O-CG 3.18Å; R29-E33 PolarHBondContact O-N 2.84Å
30K97.4Very high95.6Very high119 Ų119106.2 Ų106.252%0.51754%0.543SS..Hα-helixtrans-59.6-46.7176.6-73.6178178.3-174.90112.3A26 D27 K32 E33 E34A26-K30 WeakPolarHBondContact O-CG 3.49Å; A26-K30 PolarHBondContact O-N 3.37Å; D27-K30 PolarHBondContact O-N 2.82Å; K30-K32 VanDerWaalsContact C-N 3.31Å; K30-K32 PolarHBondContact O-N 2.86Å; K30-E33 PolarHBondContact O-N 3.05Å; K30-E34 WeakPolarHBondContact O-CB 3.18Å; K30-E34 VanDerWaalsContact O-CG 3.3Å; K30-E34 WeakPolarHBondContact O-CG 3.39Å; K30-E34 PolarHBondContact O-N 3.08Å
31K96.1Very high95.4Very high130 Ų130108 Ų10857%0.56554%0.541SS*.Hα-helixtrans-59.8-43.2175.8-74.7178.6178.8-171.90112D27 A28 R29 E34 E35D27-K31 WeakPolarHBondContact O-CG 3.35Å; D27-K31 PolarHBondContact O-N 3.11Å; A28-K31 PolarHBondContact O-N 3.02Å; R29-K31 PolarHBondContact O-N 2.83Å; K31-E34 PolarHBondContact O-N 3.46Å; K31-E35 WeakPolarHBondContact O-CB 3.47Å; K31-E35 VanDerWaalsContact O-CG 3.3Å; K31-E35 WeakPolarHBondContact O-CG 3.39Å; K31-E35 PolarHBondContact O-N 3.2Å
32K96.1Very high95.3Very high126 Ų126107.8 Ų107.855%0.54855%0.549SS..Hα-helixtrans-62.9-43.8176-172-177.4175.4-1750111.6A28 R29 K30 E34 E35 D36A28-K32 WeakPolarHBondContact O-CB 3.47Å; A28-K32 PolarHBondContact O-N 3.48Å; R29-K32 PolarHBondContact O-N 3.05Å; K30-K32 VanDerWaalsContact C-N 3.31Å; K30-K32 PolarHBondContact O-N 2.86Å; K32-E34 VanDerWaalsContact C-N 3.32Å; K32-E34 PolarHBondContact O-N 2.67Å; K32-E35 PolarHBondContact O-N 2.81Å; K32-D36 WeakPolarHBondContact CE-OD2 3.45Å; K32-D36 VanDerWaalsContact O-CB 3.26Å; K32-D36 WeakPolarHBondContact O-CB 3.43Å; K32-D36 PolarHBondContact O-N 3.2Å
33E96.1Very high95.2Very high126 Ų126108.2 Ų108.259%0.58954%0.542SS*.Hα-helixtrans-62.7-38.2176.6-72.2164.6-162.800111.9R29 K30 A37R29-E33 VanDerWaalsContact O-CG 3.31Å; R29-E33 WeakPolarHBondContact O-CG 3.18Å; R29-E33 PolarHBondContact O-N 2.84Å; K30-E33 PolarHBondContact O-N 3.05Å; E33-A37 WeakPolarHBondContact O-CB 3.13Å; E33-A37 PolarHBondContact O-N 3.43Å
34E96.1Very high95.1Very high132 Ų132109.4 Ų109.462%0.61755%0.547SS*.Hα-helixtrans-67.1-43174.6-72.4167.3-171.300112.1K30 K31 K32 A37 L38K30-E34 WeakPolarHBondContact O-CB 3.18Å; K30-E34 VanDerWaalsContact O-CG 3.3Å; K30-E34 WeakPolarHBondContact O-CG 3.39Å; K30-E34 PolarHBondContact O-N 3.08Å; K31-E34 PolarHBondContact O-N 3.46Å; K32-E34 VanDerWaalsContact C-N 3.32Å; K32-E34 PolarHBondContact O-N 2.67Å; E34-A37 PolarHBondContact O-N 3.47Å; E34-L38 WeakPolarHBondContact O-CB 3.34Å; E34-L38 PolarHBondContact O-N 2.78Å
35E95.9Very high95Very high117 Ų117112.9 Ų112.955%0.54755%0.553SS.*Hα-helixtrans-64.4-49.6174.3-73.6170.9-175.500110.8K31 K32 A37 L38 W39K31-E35 WeakPolarHBondContact O-CB 3.47Å; K31-E35 VanDerWaalsContact O-CG 3.3Å; K31-E35 WeakPolarHBondContact O-CG 3.39Å; K31-E35 PolarHBondContact O-N 3.2Å; K32-E35 PolarHBondContact O-N 2.81Å; E35-A37 VanDerWaalsContact C-N 3.27Å; E35-A37 PolarHBondContact O-N 2.94Å; E35-L38 WeakPolarHBondContact O-CB 3.36Å; E35-L38 PolarHBondContact O-N 3.46Å; E35-L38 VanDerWaalsContact O-N 3.12Å; E35-W39 PolarHBondContact O-N 3.35Å
36D95Very high94.9Very high87 Ų87111.9 Ų111.947%0.46555%0.547SS..Hα-helixtrans-58.1-42.1177.1-72.3-16.8000110.1K32 W39 Q40K32-D36 WeakPolarHBondContact CE-OD2 3.45Å; K32-D36 VanDerWaalsContact O-CB 3.26Å; K32-D36 WeakPolarHBondContact O-CB 3.43Å; K32-D36 PolarHBondContact O-N 3.2Å; D36-W39 CarbonylContact O-C 3.56Å; D36-W39 PolarHBondContact O-N 2.94Å; D36-Q40 WeakPolarHBondContact O-CG 3.47Å; D36-Q40 PolarHBondContact O-N 2.78Å; D36-Q40 VanDerWaalsContact O-N 3.14Å
37A95.1Very high94.7Very high52 Ų52112.9 Ų112.943%0.4355%0.546SS..Hα-helixtrans-64.9-40.1175.700000113E33 E34 E35 W39 Q40E33-A37 WeakPolarHBondContact O-CB 3.13Å; E33-A37 PolarHBondContact O-N 3.43Å; E34-A37 PolarHBondContact O-N 3.47Å; E35-A37 VanDerWaalsContact C-N 3.27Å; E35-A37 PolarHBondContact O-N 2.94Å; A37-W39 PolarHBondContact O-N 3.33Å; A37-Q40 PolarHBondContact O-N 3.23Å
38L94.4Very high94.7Very high141 Ų141114.8 Ų114.874%0.73855%0.552SS**Hα-helixtrans-63.2-33.5175.8-179.664.1000111.7E34 E35E34-L38 WeakPolarHBondContact O-CB 3.34Å; E34-L38 PolarHBondContact O-N 2.78Å; E35-L38 WeakPolarHBondContact O-CB 3.36Å; E35-L38 PolarHBondContact O-N 3.46Å; E35-L38 VanDerWaalsContact O-N 3.12Å
39W92.3Very high94.7Very high216 Ų216119.1 Ų119.182%0.81856%0.559SS**THydrogen-bonded Turntrans-94.913179.7-71.1103.5000113.8E35 D36 A37 E41E35-W39 PolarHBondContact O-N 3.35Å; D36-W39 CarbonylContact O-C 3.56Å; D36-W39 PolarHBondContact O-N 2.94Å; A37-W39 PolarHBondContact O-N 3.33Å; W39-E41 PolarHBondContact O-N 3.2Å
40Q91.4Very high94.6Very high135 Ų135116 Ų11663%0.63155%0.552SS**  trans-68128.6173-77.8-179.67.100111.1D36 A37 T42D36-Q40 WeakPolarHBondContact O-CG 3.47Å; D36-Q40 PolarHBondContact O-N 2.78Å; D36-Q40 VanDerWaalsContact O-N 3.14Å; A37-Q40 PolarHBondContact O-N 3.23Å; Q40-T42 PolarHBondContact O-N 3.34Å
41E91Very high94.5Very high96 Ų96116 Ų11645%0.44955%0.554SS.*  trans-70.2123.6172.1-176.854.9-103.200109.8W39 D43 V46 L47W39-E41 PolarHBondContact O-N 3.2Å; E41-D43 VanDerWaalsContact OE1-CB 3.25Å; E41-D43 WeakPolarHBondContact OE1-CB 3.28Å; E41-D43 PolarHBondContact OE1-N 3.06Å; E41-V46 HydrophobicContact CG-CB 3.88Å; E41-V46 HydrophobicContact CG-CG1 3.68Å; E41-L47 HydrophobicContact CB-CD2 4.49Å; E41-L47 HydrophobicContact CG-CD2 4.47Å
42T91.3Very high94.5Very high124 Ų124117.3 Ų117.376%0.76156%0.555SS**  trans-114.2-7.8-17856.70000112.6Q40 K44Q40-T42 PolarHBondContact O-N 3.34Å; T42-K44 PolarHBondContact O-N 3.47Å; T42-K44 VanDerWaalsContact O-N 3.16Å
43D94.8Very high94.5Very high71 Ų71117.4 Ų117.438%0.3856%0.556SS.*  trans-68.8115.3176.7-1750000110.9E41 H45 V46 L47E41-D43 VanDerWaalsContact OE1-CB 3.25Å; E41-D43 WeakPolarHBondContact OE1-CB 3.28Å; E41-D43 PolarHBondContact OE1-N 3.06Å; D43-H45 PolarHBondContact O-N 3.15Å; D43-H45 VanDerWaalsContact O-N 3.12Å; D43-H45 IonicContact OD1-CD2 2.83Å; D43-H45 PolarHBondContact OD1-N 3.1Å; D43-V46 HydrophobicContact CB-CB 4.23Å; D43-V46 HydrophobicContact CB-CG2 3.96Å; D43-V46 PolarHBondContact O-N 2.92Å; D43-V46 VanDerWaalsContact O-N 3.07Å; D43-L47 WeakPolarHBondContact O-CG 3.47Å; D43-L47 PolarHBondContact O-N 3.47Å
44K94.8Very high94.5Very high161 Ų161115.2 Ų115.270%0.755%0.548SS*.Hα-helixtrans-50.4-35.9174.9-178.8179.7178.2179.40112.9T42 K48T42-K44 PolarHBondContact O-N 3.47Å; T42-K44 VanDerWaalsContact O-N 3.16Å; K44-K48 VanDerWaalsContact O-CB 3.25Å; K44-K48 WeakPolarHBondContact O-CB 3.34Å; K44-K48 PolarHBondContact O-N 3.15Å; K44-K48 VanDerWaalsContact O-N 3.08Å
45H94.6Very high94.5Very high132 Ų132113.3 Ų113.361%0.61154%0.542SS*.Hα-helixtrans-74.8-36.6-178.9-70.5-62.8000112.6D43 K49D43-H45 PolarHBondContact O-N 3.15Å; D43-H45 VanDerWaalsContact O-N 3.12Å; D43-H45 IonicContact OD1-CD2 2.83Å; D43-H45 PolarHBondContact OD1-N 3.1Å; H45-K49 WeakPolarHBondContact O-CG 3.48Å; H45-K49 PolarHBondContact O-N 2.86Å
46V93.4Very high94.6Very high54 Ų54115.4 Ų115.433%0.32755%0.549SS..Hα-helixtrans-69.6-49.2175.8-179.50000109.8E41 D43 K48 K49 E50E41-V46 HydrophobicContact CG-CB 3.88Å; E41-V46 HydrophobicContact CG-CG1 3.68Å; D43-V46 HydrophobicContact CB-CB 4.23Å; D43-V46 HydrophobicContact CB-CG2 3.96Å; D43-V46 PolarHBondContact O-N 2.92Å; D43-V46 VanDerWaalsContact O-N 3.07Å; V46-K48 VanDerWaalsContact C-N 3.29Å; V46-K48 PolarHBondContact O-N 3.13Å; V46-K49 WeakPolarHBondContact O-CA 3.47Å; V46-K49 WeakPolarHBondContact O-CB 3.26Å; V46-K49 PolarHBondContact O-N 3.37Å; V46-E50 PolarHBondContact O-N 3.44Å
47L94.3Very high94.6Very high63 Ų63116 Ų11633%0.3355%0.549SS..Hα-helixtrans-57.2-40.9176.6-68.1174.9000112.4E41 D43 K49 E50 Q51E41-L47 HydrophobicContact CB-CD2 4.49Å; E41-L47 HydrophobicContact CG-CD2 4.47Å; D43-L47 WeakPolarHBondContact O-CG 3.47Å; D43-L47 PolarHBondContact O-N 3.47Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 3.43Å; L47-E50 PolarHBondContact O-N 2.83Å; L47-Q51 WeakPolarHBondContact O-CB 3.27Å; L47-Q51 VanDerWaalsContact O-CG 3.28Å; L47-Q51 WeakPolarHBondContact O-CG 3.22Å; L47-Q51 PolarHBondContact O-N 2.88Å
48K95.9Very high94.7Very high106 Ų106120.3 Ų120.346%0.46156%0.559SS.*Hα-helixtrans-67.2-30.7176.3-169.9174.5-171.5177.70112.8K44 V46 R52K44-K48 VanDerWaalsContact O-CB 3.25Å; K44-K48 WeakPolarHBondContact O-CB 3.34Å; K44-K48 PolarHBondContact O-N 3.15Å; K44-K48 VanDerWaalsContact O-N 3.08Å; V46-K48 VanDerWaalsContact C-N 3.29Å; V46-K48 PolarHBondContact O-N 3.13Å; K48-R52 WeakPolarHBondContact O-CD 3.38Å; K48-R52 WeakPolarHBondContact O-CG 3.49Å; K48-R52 PolarHBondContact O-N 3.4Å
49K96.1Very high94.9Very high148 Ų148120 Ų12064%0.64355%0.551SS**Hα-helixtrans-72-43.3174.5-75.7172.8-179.41760110.8H45 V46 L47 R52 K53H45-K49 WeakPolarHBondContact O-CG 3.48Å; H45-K49 PolarHBondContact O-N 2.86Å; V46-K49 WeakPolarHBondContact O-CA 3.47Å; V46-K49 WeakPolarHBondContact O-CB 3.26Å; V46-K49 PolarHBondContact O-N 3.37Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 3.43Å; K49-R52 PolarHBondContact O-N 2.88Å; K49-K53 PolarHBondContact O-N 3.01Å; K49-K53 VanDerWaalsContact O-N 3.07Å
50E94Very high95.1Very high100 Ų100118.3 Ų118.347%0.46755%0.545SS..Hα-helixtrans-62.3-49.9177.1-169.7169-161.900111.2V46 L47 R52 K53 D54V46-E50 PolarHBondContact O-N 3.44Å; L47-E50 PolarHBondContact O-N 2.83Å; E50-R52 VanDerWaalsContact C-N 3.29Å; E50-R52 PolarHBondContact O-N 3.46Å; E50-K53 CarbonylContact O-C 3.47Å; E50-K53 WeakPolarHBondContact O-CA 3.32Å; E50-K53 VanDerWaalsContact O-CB 3.31Å; E50-K53 WeakPolarHBondContact O-CB 3.47Å; E50-K53 PolarHBondContact O-N 3.33Å; E50-D54 PolarHBondContact O-N 2.97Å
51Q95.4Very high95.3Very high120 Ų120116.8 Ų116.856%0.56154%0.54SS*.Hα-helixtrans-54.9-42.2174.7-74.7174.9-5.900113L47 K53 D54 D55L47-Q51 WeakPolarHBondContact O-CB 3.27Å; L47-Q51 VanDerWaalsContact O-CG 3.28Å; L47-Q51 WeakPolarHBondContact O-CG 3.22Å; L47-Q51 PolarHBondContact O-N 2.88Å; Q51-K53 VanDerWaalsContact C-N 3.29Å; Q51-K53 PolarHBondContact O-N 3.24Å; Q51-D54 PolarHBondContact O-N 2.84Å; Q51-D55 VanDerWaalsContact O-CB 3.3Å; Q51-D55 WeakPolarHBondContact O-CB 3.32Å; Q51-D55 VanDerWaalsContact O-CG 3.24Å; Q51-D55 PolarHBondContact O-N 3.17Å
52R96.3Very high95.6Very high156 Ų156118 Ų11859%0.58955%0.546SS*.Hα-helixtrans-65.5-33.2176.3-75.5169.5176.6177.3-4.3112.7K48 K49 E50 K56K48-R52 WeakPolarHBondContact O-CD 3.38Å; K48-R52 WeakPolarHBondContact O-CG 3.49Å; K48-R52 PolarHBondContact O-N 3.4Å; K49-R52 PolarHBondContact O-N 2.88Å; E50-R52 VanDerWaalsContact C-N 3.29Å; E50-R52 PolarHBondContact O-N 3.46Å; R52-K56 WeakPolarHBondContact O-CB 3.49Å; R52-K56 PolarHBondContact O-N 3.17Å
53K97.3Very high95.9Very high128 Ų128116.3 Ų116.356%0.55753%0.532SS*.Hα-helixtrans-71.2-48.7176.4-172.8-172.1171.1-163.40109.8K49 E50 Q51 D55 K56 E57K49-K53 PolarHBondContact O-N 3.01Å; K49-K53 VanDerWaalsContact O-N 3.07Å; E50-K53 CarbonylContact O-C 3.47Å; E50-K53 WeakPolarHBondContact O-CA 3.32Å; E50-K53 VanDerWaalsContact O-CB 3.31Å; E50-K53 WeakPolarHBondContact O-CB 3.47Å; E50-K53 PolarHBondContact O-N 3.33Å; Q51-K53 VanDerWaalsContact C-N 3.29Å; Q51-K53 PolarHBondContact O-N 3.24Å; K53-D55 PolarHBondContact O-N 3.45Å; K53-K56 WeakPolarHBondContact O-CB 3.45Å; K53-K56 PolarHBondContact O-N 2.78Å; K53-K56 VanDerWaalsContact O-N 3.08Å; K53-E57 WeakPolarHBondContact CE-OE1 3.39Å; K53-E57 PolarHBondContact O-N 2.9Å
54D95.6Very high95.9Very high81 Ų81117.1 Ų117.143%0.43354%0.536SS..Hα-helixtrans-60.9-43.8178.2-66.5-9.1000111.6E50 Q51 K56 E57 K58E50-D54 PolarHBondContact O-N 2.97Å; Q51-D54 PolarHBondContact O-N 2.84Å; D54-K56 VanDerWaalsContact C-N 3.28Å; D54-K56 PolarHBondContact O-N 2.93Å; D54-E57 PolarHBondContact O-N 3.28Å; D54-K58 WeakPolarHBondContact O-CB 3.45Å; D54-K58 PolarHBondContact O-N 2.9Å
55D96.4Very high96Very high91 Ų91115.2 Ų115.249%0.48753%0.529SS..Hα-helixtrans-61.6-36.4175.4-78.7-22000112.2Q51 K53 K59Q51-D55 VanDerWaalsContact O-CB 3.3Å; Q51-D55 WeakPolarHBondContact O-CB 3.32Å; Q51-D55 VanDerWaalsContact O-CG 3.24Å; Q51-D55 PolarHBondContact O-N 3.17Å; K53-D55 PolarHBondContact O-N 3.45Å; D55-K59 WeakPolarHBondContact O-CB 3.31Å; D55-K59 WeakPolarHBondContact O-CD 3.36Å; D55-K59 WeakPolarHBondContact O-CG 3.38Å; D55-K59 PolarHBondContact O-N 3.23Å; D55-K59 VanDerWaalsContact O-N 3.07Å
56K97.1Very high96.2Very high161 Ų161116.1 Ų116.170%0.753%0.527SS*.Hα-helixtrans-72.2-42.4177.9-173.2-179.8-179-177.60111.2R52 K53 D54 R60R52-K56 WeakPolarHBondContact O-CB 3.49Å; R52-K56 PolarHBondContact O-N 3.17Å; K53-K56 WeakPolarHBondContact O-CB 3.45Å; K53-K56 PolarHBondContact O-N 2.78Å; K53-K56 VanDerWaalsContact O-N 3.08Å; D54-K56 VanDerWaalsContact C-N 3.28Å; D54-K56 PolarHBondContact O-N 2.93Å; K56-R60 WeakPolarHBondContact O-CB 3.29Å; K56-R60 PolarHBondContact O-N 2.89Å
57E95.8Very high96.4Very high99 Ų99120.2 Ų120.246%0.46354%0.541SS..Hα-helixtrans-66.5-44.3176.7-72.6-176.3-173.600111.2K53 D54 K59 R60 L61K53-E57 WeakPolarHBondContact CE-OE1 3.39Å; K53-E57 PolarHBondContact O-N 2.9Å; D54-E57 PolarHBondContact O-N 3.28Å; E57-K59 PolarHBondContact O-N 3.49Å; E57-R60 WeakPolarHBondContact O-CB 3.49Å; E57-R60 PolarHBondContact O-N 3.45Å; E57-R60 VanDerWaalsContact O-N 3.13Å; E57-L61 WeakPolarHBondContact O-CG 3.22Å; E57-L61 PolarHBondContact O-N 3.35Å
58K97.3Very high96.5Very high144 Ų144125 Ų12563%0.62656%0.559SS**Hα-helixtrans-59.1-47175.3-172176.8-178.7179.80112.1D54 R60 L61 E62D54-K58 WeakPolarHBondContact O-CB 3.45Å; D54-K58 PolarHBondContact O-N 2.9Å; K58-R60 VanDerWaalsContact C-N 3.31Å; K58-R60 PolarHBondContact O-N 2.96Å; K58-L61 PolarHBondContact O-N 2.91Å; K58-E62 WeakPolarHBondContact O-CB 3.44Å; K58-E62 PolarHBondContact O-N 3.05Å
59K97.7Very high96.5Very high134 Ų134125.9 Ų125.958%0.58357%0.565SS**Hα-helixtrans-61.5-38.3175-75.7171.5-175174.30112.4D55 E57 L63D55-K59 WeakPolarHBondContact O-CB 3.31Å; D55-K59 WeakPolarHBondContact O-CD 3.36Å; D55-K59 WeakPolarHBondContact O-CG 3.38Å; D55-K59 PolarHBondContact O-N 3.23Å; D55-K59 VanDerWaalsContact O-N 3.07Å; E57-K59 PolarHBondContact O-N 3.49Å; K59-L63 WeakPolarHBondContact O-CB 3.24Å; K59-L63 VanDerWaalsContact O-CG 3.24Å; K59-L63 WeakPolarHBondContact O-CG 3.39Å; K59-L63 PolarHBondContact O-N 3.47Å
60R97.4Very high96.6Very high180 Ų180123.2 Ų123.268%0.67956%0.558SS**Hα-helixtrans-65.2-44.8176.5-178.2-175.1173-178.8-1111K56 E57 K58 L63 L64K56-R60 WeakPolarHBondContact O-CB 3.29Å; K56-R60 PolarHBondContact O-N 2.89Å; E57-R60 WeakPolarHBondContact O-CB 3.49Å; E57-R60 PolarHBondContact O-N 3.45Å; E57-R60 VanDerWaalsContact O-N 3.13Å; K58-R60 VanDerWaalsContact C-N 3.31Å; K58-R60 PolarHBondContact O-N 2.96Å; R60-L63 PolarHBondContact O-N 3.35Å; R60-L64 HydrophobicContact CG-CD1 4.25Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.48Å; R60-L64 PolarHBondContact O-N 3.31Å
61L95.6Very high96.6Very high103 Ų103123.1 Ų123.154%0.53956%0.557SS.*Hα-helixtrans-64.9-47.2178.4-70.4173.6000111.3E57 K58 L63 L64 E65E57-L61 WeakPolarHBondContact O-CG 3.22Å; E57-L61 PolarHBondContact O-N 3.35Å; K58-L61 PolarHBondContact O-N 2.91Å; L61-L63 VanDerWaalsContact C-N 3.3Å; L61-L63 PolarHBondContact O-N 2.8Å; L61-L64 CarbonylContact O-C 3.59Å; L61-L64 WeakPolarHBondContact O-CB 3.09Å; L61-L64 PolarHBondContact O-N 3.01Å; L61-E65 WeakPolarHBondContact O-CG 3.49Å; L61-E65 PolarHBondContact O-N 2.85Å
62E97Very high96.7Very high122 Ų122125.1 Ų125.157%0.5756%0.559SS**Hα-helixtrans-58.5-41176.8-173.9-175.6166.500111.9K58 L64 E65 R66K58-E62 WeakPolarHBondContact O-CB 3.44Å; K58-E62 PolarHBondContact O-N 3.05Å; E62-L64 PolarHBondContact O-N 3.43Å; E62-E65 PolarHBondContact O-N 2.96Å; E62-R66 VanDerWaalsContact O-CB 3.27Å; E62-R66 WeakPolarHBondContact O-CB 3.45Å; E62-R66 PolarHBondContact O-N 3.49Å
63L97.1Very high96.6Very high88 Ų88122.3 Ų122.346%0.46156%0.555SS.*Hα-helixtrans-65.3-37.6175-76.6171.5000112.8K59 R60 L61 K67K59-L63 WeakPolarHBondContact O-CB 3.24Å; K59-L63 VanDerWaalsContact O-CG 3.24Å; K59-L63 WeakPolarHBondContact O-CG 3.39Å; K59-L63 PolarHBondContact O-N 3.47Å; R60-L63 PolarHBondContact O-N 3.35Å; L61-L63 VanDerWaalsContact C-N 3.3Å; L61-L63 PolarHBondContact O-N 2.8Å; L63-K67 WeakPolarHBondContact O-CB 3.16Å; L63-K67 VanDerWaalsContact O-CG 3.22Å; L63-K67 WeakPolarHBondContact O-CG 3.22Å; L63-K67 PolarHBondContact O-N 3.04Å
64L95.7Very high96.4Very high89 Ų89119.9 Ų119.947%0.46655%0.548SS..Hα-helixtrans-70.8-41.3177-72.3171.9000111.3R60 L61 E62 K67 K68R60-L64 HydrophobicContact CG-CD1 4.25Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.48Å; R60-L64 PolarHBondContact O-N 3.31Å; L61-L64 CarbonylContact O-C 3.59Å; L61-L64 WeakPolarHBondContact O-CB 3.09Å; L61-L64 PolarHBondContact O-N 3.01Å; E62-L64 PolarHBondContact O-N 3.43Å; L64-K67 PolarHBondContact O-N 3.07Å; L64-K68 VanDerWaalsContact O-CB 3.31Å; L64-K68 WeakPolarHBondContact O-CB 3.47Å; L64-K68 PolarHBondContact O-N 3.4Å
65E96.8Very high96.3Very high121 Ų121120 Ų12057%0.56555%0.549SS*.Hα-helixtrans-63.1-48.2174.8-73.6179.4166.400110.7L61 E62 K67 K68 E69L61-E65 WeakPolarHBondContact O-CG 3.49Å; L61-E65 PolarHBondContact O-N 2.85Å; E62-E65 PolarHBondContact O-N 2.96Å; E65-K67 VanDerWaalsContact C-N 3.3Å; E65-K67 PolarHBondContact O-N 3.09Å; E65-K68 CarbonylContact O-C 3.58Å; E65-K68 WeakPolarHBondContact O-CB 3.49Å; E65-K68 PolarHBondContact O-N 3.47Å; E65-E69 WeakPolarHBondContact O-CG 3.48Å; E65-E69 PolarHBondContact O-N 2.93Å
66R97.6Very high96.1Very high150 Ų150119.2 Ų119.257%0.56654%0.542SS*.Hα-helixtrans-57.8-41.9174.7-166.5-177.884.3172.17.7112.3E62 N70E62-R66 VanDerWaalsContact O-CB 3.27Å; E62-R66 WeakPolarHBondContact O-CB 3.45Å; E62-R66 PolarHBondContact O-N 3.49Å; R66-N70 WeakPolarHBondContact O-CB 3.44Å; R66-N70 PolarHBondContact O-N 2.71Å; R66-N70 PolarHBondContact O-OD1 2.9Å
67K97.6Very high96Very high141 Ų141117 Ų11761%0.61354%0.535SS*.Hα-helixtrans-64.6-42175.2-78.8176.9179.6-172.30111.8L63 L64 E65 N70 Q71L63-K67 WeakPolarHBondContact O-CB 3.16Å; L63-K67 VanDerWaalsContact O-CG 3.22Å; L63-K67 WeakPolarHBondContact O-CG 3.22Å; L63-K67 PolarHBondContact O-N 3.04Å; L64-K67 PolarHBondContact O-N 3.07Å; E65-K67 VanDerWaalsContact C-N 3.3Å; E65-K67 PolarHBondContact O-N 3.09Å; K67-N70 PolarHBondContact O-N 3.02Å; K67-Q71 WeakPolarHBondContact O-CB 3.2Å; K67-Q71 PolarHBondContact O-N 3.28Å
68K97.1Very high95.6Very high163 Ų163116.2 Ų116.271%0.70953%0.534SS*.Hα-helixtrans-65.9-40.9178.7-174.1179.1179.4-178.60111.6L64 E65 Q71 R72L64-K68 VanDerWaalsContact O-CB 3.31Å; L64-K68 WeakPolarHBondContact O-CB 3.47Å; L64-K68 PolarHBondContact O-N 3.4Å; E65-K68 CarbonylContact O-C 3.58Å; E65-K68 WeakPolarHBondContact O-CB 3.49Å; E65-K68 PolarHBondContact O-N 3.47Å; K68-Q71 PolarHBondContact O-N 2.91Å; K68-R72 VanDerWaalsContact O-CB 3.32Å; K68-R72 WeakPolarHBondContact O-CB 3.45Å; K68-R72 PolarHBondContact O-N 3.29Å
69E96.4Very high95.2Very high125 Ų125112.5 Ų112.558%0.58453%0.53SS*.Hα-helixtrans-66-45.3175.1-72.3-178.3164.700111.7E65 Q71 R72 L73E65-E69 WeakPolarHBondContact O-CG 3.48Å; E65-E69 PolarHBondContact O-N 2.93Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.32Å; E69-R72 WeakPolarHBondContact O-CB 3.19Å; E69-R72 PolarHBondContact O-N 2.92Å; E69-L73 WeakPolarHBondContact O-CG 3.4Å; E69-L73 PolarHBondContact O-N 3.26Å
70N96.5Very high94.8Very high92 Ų92115.6 Ų115.649%0.49254%0.538SS..Hα-helixtrans-60.5-43.7174.6-73.1-5.5000112R66 K67 R72 L73 L74R66-N70 WeakPolarHBondContact O-CB 3.44Å; R66-N70 PolarHBondContact O-N 2.71Å; R66-N70 PolarHBondContact O-OD1 2.9Å; K67-N70 PolarHBondContact O-N 3.02Å; N70-R72 VanDerWaalsContact C-N 3.34Å; N70-L73 PolarHBondContact O-N 3.4Å; N70-L74 WeakPolarHBondContact O-CB 3.38Å; N70-L74 PolarHBondContact O-N 3.1Å
71Q95.8Very high93.9Very high97 Ų97112 Ų11245%0.45353%0.531SS..Hα-helixtrans-62.1-43.7176.3-175.562.237.400111K67 K68 E69 L73 L74 D75K67-Q71 WeakPolarHBondContact O-CB 3.2Å; K67-Q71 PolarHBondContact O-N 3.28Å; K68-Q71 PolarHBondContact O-N 2.91Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.32Å; Q71-L73 VanDerWaalsContact C-N 3.35Å; Q71-L73 PolarHBondContact O-N 2.95Å; Q71-L74 WeakPolarHBondContact O-CB 3.27Å; Q71-L74 PolarHBondContact O-N 3.49Å; Q71-D75 PolarHBondContact NE2-OD1 2.98Å; Q71-D75 PolarHBondContact O-N 3.35Å
72R96.4Very high92.8Very high162 Ų162113.4 Ų113.461%0.61153%0.532SS*.Hα-helixtrans-60.4-43.9176.7179.8-175.6168.7175.31.1111.8K68 E69 N70 D75 E76K68-R72 VanDerWaalsContact O-CB 3.32Å; K68-R72 WeakPolarHBondContact O-CB 3.45Å; K68-R72 PolarHBondContact O-N 3.29Å; E69-R72 WeakPolarHBondContact O-CB 3.19Å; E69-R72 PolarHBondContact O-N 2.92Å; N70-R72 VanDerWaalsContact C-N 3.34Å; R72-D75 PolarHBondContact O-N 2.96Å; R72-E76 IonicContact CZ-OE1 3.73Å; R72-E76 IonicContact NE-OE1 3.16Å; R72-E76 PolarHBondContact NE-OE1 3.19Å; R72-E76 IonicContact NH2-OE1 2.86Å; R72-E76 PolarHBondContact NH2-OE1 3.11Å; R72-E76 WeakPolarHBondContact O-CB 3.5Å; R72-E76 VanDerWaalsContact O-CG 3.32Å; R72-E76 WeakPolarHBondContact O-CG 3.49Å; R72-E76 PolarHBondContact O-N 3.3Å
73L94.5Very high91.1Very high97 Ų97109.2 Ų109.251%0.50852%0.522SS..Hα-helixtrans-62.8-42.7176.1-72.4172.7000111.5E69 N70 Q71 D75 E76 E77E69-L73 WeakPolarHBondContact O-CG 3.4Å; E69-L73 PolarHBondContact O-N 3.26Å; N70-L73 PolarHBondContact O-N 3.4Å; Q71-L73 VanDerWaalsContact C-N 3.35Å; Q71-L73 PolarHBondContact O-N 2.95Å; L73-D75 VanDerWaalsContact C-N 3.34Å; L73-D75 PolarHBondContact O-N 2.96Å; L73-E76 PolarHBondContact O-N 3.34Å; L73-E77 WeakPolarHBondContact O-CG 3.17Å; L73-E77 PolarHBondContact O-N 3.42Å
74L93.4Very high89.3Confident78 Ų78113.1 Ų113.141%0.40853%0.531SS..Hα-helixtrans-61-42.4175.6-177.467.7000111.7N70 Q71 E77 N78N70-L74 WeakPolarHBondContact O-CB 3.38Å; N70-L74 PolarHBondContact O-N 3.1Å; Q71-L74 WeakPolarHBondContact O-CB 3.27Å; Q71-L74 PolarHBondContact O-N 3.49Å; L74-E77 PolarHBondContact O-N 3.15Å; L74-N78 VanDerWaalsContact O-CB 3.28Å; L74-N78 WeakPolarHBondContact O-CB 3.48Å; L74-N78 VanDerWaalsContact O-CG 3.25Å; L74-N78 PolarHBondContact O-N 2.92Å; L74-N78 PolarHBondContact O-ND2 2.89Å
75D92.3Very high87.6Confident82 Ų82111.2 Ų111.244%0.43953%0.528SS..Hα-helixtrans-67.6-38.4177.9-66.3-22.3000111.6Q71 R72 L73 N78 A79Q71-D75 PolarHBondContact NE2-OD1 2.98Å; Q71-D75 PolarHBondContact O-N 3.35Å; R72-D75 PolarHBondContact O-N 2.96Å; L73-D75 VanDerWaalsContact C-N 3.34Å; L73-D75 PolarHBondContact O-N 2.96Å; D75-N78 PolarHBondContact O-N 3.01Å; D75-A79 WeakPolarHBondContact O-CB 3.44Å; D75-A79 PolarHBondContact O-N 3.27Å
76E93.9Very high85.6Confident76 Ų76111.6 Ų111.636%0.35553%0.53SS..Hα-helixtrans-64.5-41.2174-74.2177.3-165.600111.8R72 L73 R80R72-E76 IonicContact CZ-OE1 3.73Å; R72-E76 IonicContact NE-OE1 3.16Å; R72-E76 PolarHBondContact NE-OE1 3.19Å; R72-E76 IonicContact NH2-OE1 2.86Å; R72-E76 PolarHBondContact NH2-OE1 3.11Å; R72-E76 WeakPolarHBondContact O-CB 3.5Å; R72-E76 VanDerWaalsContact O-CG 3.32Å; R72-E76 WeakPolarHBondContact O-CG 3.49Å; R72-E76 PolarHBondContact O-N 3.3Å; L73-E76 PolarHBondContact O-N 3.34Å; E76-R80 WeakPolarHBondContact O-CG 3.41Å; E76-R80 PolarHBondContact O-N 2.94Å; E76-R80 VanDerWaalsContact O-N 3.15Å
77E93.3Very high83.5Confident115 Ų115114.2 Ų114.254%0.53754%0.54SS..Hα-helixtrans-65.5-46.4173.1-73.1-179169.500111.7L73 L74 A79 R80 I81L73-E77 WeakPolarHBondContact O-CG 3.17Å; L73-E77 PolarHBondContact O-N 3.42Å; L74-E77 PolarHBondContact O-N 3.15Å; E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 3.36Å; E77-R80 WeakPolarHBondContact O-CB 3.48Å; E77-R80 PolarHBondContact O-N 3.33Å; E77-R80 VanDerWaalsContact O-N 3.13Å; E77-I81 WeakPolarHBondContact O-CG1 3.39Å; E77-I81 PolarHBondContact O-N 2.84Å
78N87.3Confident81.4Confident82 Ų82113.6 Ų113.644%0.43954%0.539SS..Hα-helixtrans-60.6-38.8176.6-79.9-31.2000111.8L74 D75 I81 K82L74-N78 VanDerWaalsContact O-CB 3.28Å; L74-N78 WeakPolarHBondContact O-CB 3.48Å; L74-N78 VanDerWaalsContact O-CG 3.25Å; L74-N78 PolarHBondContact O-N 2.92Å; L74-N78 PolarHBondContact O-ND2 2.89Å; D75-N78 PolarHBondContact O-N 3.01Å; N78-I81 PolarHBondContact O-N 3.47Å; N78-K82 WeakPolarHBondContact O-CB 3.43Å; N78-K82 PolarHBondContact O-N 3.32Å
79A90Very high79.4Confident66 Ų66110 Ų11055%0.54554%0.539SS..Hα-helixtrans-64.4-41.6175.100000111.8D75 E77 G83D75-A79 WeakPolarHBondContact O-CB 3.44Å; D75-A79 PolarHBondContact O-N 3.27Å; E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 3.36Å; A79-G83 PolarHBondContact O-N 3.46Å; A79-G83 VanDerWaalsContact O-N 3.1Å
80R88.1Confident77.1Confident198 Ų198108.2 Ų108.275%0.74755%0.546SS*.Hα-helixtrans-64-43.2175.3-72.1175.7-177.2-1743.8111.9E76 E77 R84E76-R80 WeakPolarHBondContact O-CG 3.41Å; E76-R80 PolarHBondContact O-N 2.94Å; E76-R80 VanDerWaalsContact O-N 3.15Å; E77-R80 WeakPolarHBondContact O-CB 3.48Å; E77-R80 PolarHBondContact O-N 3.33Å; E77-R80 VanDerWaalsContact O-N 3.13Å; R80-R84 PolarHBondContact O-N 3.08Å
81I80.3Confident74.9Confident105 Ų105107.5 Ų107.554%0.53855%0.553SS.*Hα-helixtrans-70.1-44178.9-65.2168.7000110.6E77 N78 G83 R84 A85E77-I81 WeakPolarHBondContact O-CG1 3.39Å; E77-I81 PolarHBondContact O-N 2.84Å; N78-I81 PolarHBondContact O-N 3.47Å; I81-G83 VanDerWaalsContact C-N 3.29Å; I81-G83 PolarHBondContact O-N 2.88Å; I81-R84 CarbonylContact O-C 3.6Å; I81-R84 WeakPolarHBondContact O-CA 3.4Å; I81-R84 WeakPolarHBondContact O-CB 3.27Å; I81-R84 PolarHBondContact O-N 2.81Å; I81-A85 WeakPolarHBondContact O-CB 3.15Å; I81-A85 PolarHBondContact O-N 3.17Å
82K71.4Confident73Confident132 Ų132106.3 Ų106.357%0.57457%0.567SS**Hα-helixtrans-61.2-37179.2-170.7174-176.7177.30112N78 R84 A85 Q86N78-K82 WeakPolarHBondContact O-CB 3.43Å; N78-K82 PolarHBondContact O-N 3.32Å; K82-R84 PolarHBondContact O-N 3.45Å; K82-A85 PolarHBondContact O-N 3.05Å; K82-Q86 HydrophobicContact CG-CG 4.4Å; K82-Q86 WeakPolarHBondContact O-CB 3.43Å; K82-Q86 WeakPolarHBondContact O-CG 3.39Å; K82-Q86 PolarHBondContact O-N 3.27Å
83G61.4Low71.3Confident35 Ų35101.6 Ų101.636%0.36157%0.569SS.*Hα-helixtrans-63.9-26.2172.500000114.1A79 I81 R87A79-G83 PolarHBondContact O-N 3.46Å; A79-G83 VanDerWaalsContact O-N 3.1Å; I81-G83 VanDerWaalsContact C-N 3.29Å; I81-G83 PolarHBondContact O-N 2.88Å; G83-R87 WeakPolarHBondContact O-CG 3.2Å
84R59.3Low69.8Low170 Ų170106.4 Ų106.464%0.64259%0.586SS**Hα-helixtrans-87.4-43.4174.3-171.6177.4175.31751.8112.1R80 I81 K82 Q86 R87 E88R80-R84 PolarHBondContact O-N 3.08Å; I81-R84 CarbonylContact O-C 3.6Å; I81-R84 WeakPolarHBondContact O-CA 3.4Å; I81-R84 WeakPolarHBondContact O-CB 3.27Å; I81-R84 PolarHBondContact O-N 2.81Å; K82-R84 PolarHBondContact O-N 3.45Å; R84-Q86 PolarHBondContact O-N 2.88Å; R84-R87 WeakPolarHBondContact O-CB 3.47Å; R84-R87 PolarHBondContact O-N 3.13Å; R84-R87 VanDerWaalsContact O-N 3.08Å; R84-E88 IonicContact CZ-OE1 3.62Å; R84-E88 IonicContact NE-OE1 2.89Å; R84-E88 PolarHBondContact NE-OE1 2.88Å; R84-E88 IonicContact NH2-OE1 3.47Å; R84-E88 PolarHBondContact O-N 3.46Å
85A59.3Low68.3Low49 Ų49107.1 Ų107.141%0.40559%0.593SS.*Hα-helixtrans-66.1-35179.600000112.5I81 K82 R87 E88 A89I81-A85 WeakPolarHBondContact O-CB 3.15Å; I81-A85 PolarHBondContact O-N 3.17Å; K82-A85 PolarHBondContact O-N 3.05Å; A85-R87 VanDerWaalsContact C-N 3.3Å; A85-R87 PolarHBondContact O-N 3.04Å; A85-E88 PolarHBondContact O-N 3.07Å; A85-A89 WeakPolarHBondContact O-CB 3.38Å; A85-A89 PolarHBondContact O-N 3.3Å
86Q55.1Low67.6Low128 Ų128107.2 Ų107.260%0.59860%0.597SS**Hα-helixtrans-69.4-26.2172.4-76.7-175.1-3700112.9K82 R84 A90K82-Q86 HydrophobicContact CG-CG 4.4Å; K82-Q86 WeakPolarHBondContact O-CB 3.43Å; K82-Q86 WeakPolarHBondContact O-CG 3.39Å; K82-Q86 PolarHBondContact O-N 3.27Å; R84-Q86 PolarHBondContact O-N 2.88Å; Q86-A90 WeakPolarHBondContact O-CB 3.3Å; Q86-A90 PolarHBondContact O-N 3.4Å
87R53.6Low66.8Low205 Ų205114 Ų11477%0.77462%0.619SS**Hα-helixtrans-77.5-34.9174.3-70.8178.8-169.4172.84112.3G83 R84 A85G83-R87 WeakPolarHBondContact O-CG 3.2Å; R84-R87 WeakPolarHBondContact O-CB 3.47Å; R84-R87 PolarHBondContact O-N 3.13Å; R84-R87 VanDerWaalsContact O-N 3.08Å; A85-R87 VanDerWaalsContact C-N 3.3Å; A85-R87 PolarHBondContact O-N 3.04Å
88E54.5Low66.2Low128 Ų128111.5 Ų111.560%0.59862%0.618SS**Hα-helixtrans-79.2-32.2176.7-71.5171.9-169.800111.9R84 A85R84-E88 IonicContact CZ-OE1 3.62Å; R84-E88 IonicContact NE-OE1 2.89Å; R84-E88 PolarHBondContact NE-OE1 2.88Å; R84-E88 IonicContact NH2-OE1 3.47Å; R84-E88 PolarHBondContact O-N 3.46Å; A85-E88 PolarHBondContact O-N 3.07Å
89A53.8Low65.9Low87 Ų87112.9 Ų112.972%0.71962%0.622SS**Hα-helixtrans-77.9-22.4175.200000114.2A85 A91A85-A89 WeakPolarHBondContact O-CB 3.38Å; A85-A89 PolarHBondContact O-N 3.3Å; A89-A91 VanDerWaalsContact C-N 3.31Å
90A48.6Very low65.3Low88 Ų88113.9 Ų113.973%0.72762%0.618SS**THydrogen-bonded Turntrans-79.8-8.9176.600000113.8Q86Q86-A90 WeakPolarHBondContact O-CB 3.3Å; Q86-A90 PolarHBondContact O-N 3.4Å
91A51.4Low65.2Low77 Ų77110.2 Ų110.264%0.63661%0.609SS**SBendtrans-104.353.8178.600000112.2A89 G93A89-A91 VanDerWaalsContact C-N 3.31Å; A91-G93 VanDerWaalsContact C-N 3.31Å; A91-G93 PolarHBondContact O-N 3.08Å
92G54.9Low65.4Low73 Ų73109.7 Ų109.775%0.75361%0.607SS**  trans38.441.4147.800000119.4K94G92-K94 PolarHBondContact O-N 3.34Å
93G60Low66Low63 Ų63107.4 Ų107.465%0.64960%0.604SS**  trans-68119.7175.500000110.4A91 V95A91-G93 VanDerWaalsContact C-N 3.31Å; A91-G93 PolarHBondContact O-N 3.08Å; G93-V95 PolarHBondContact O-N 3.44Å
94K63.4Low67.2Low198 Ų198110.2 Ų110.286%0.86161%0.61SS**  trans-53.8116174.3-58.5174.6-170.7-179.90108.4G92 T96G92-K94 PolarHBondContact O-N 3.34Å; K94-T96 PolarHBondContact O-N 3.26Å
95V63.4Low68.5Low92 Ų92106.7 Ų106.756%0.55860%0.601SS**  trans-62.3120.4-179.6-165.10000108G93 Q99 I100G93-V95 PolarHBondContact O-N 3.44Å; V95-Q99 HydrophobicContact CG1-CB 3.92Å; V95-Q99 HydrophobicContact CG1-CG 4.42Å; V95-I100 HydrophobicContact CB-CD1 4.49Å; V95-I100 HydrophobicContact CB-CG1 4.16Å; V95-I100 HydrophobicContact CG1-CD1 4.39Å; V95-I100 HydrophobicContact CG1-CG1 3.56Å
96T76.1Confident69.6Low85 Ų85108.7 Ų108.752%0.52161%0.605SS.*  trans-75.4149.317750.70000109.8K94 A98 Q99 I100K94-T96 PolarHBondContact O-N 3.26Å; T96-A98 PolarHBondContact O-N 3.11Å; T96-A98 VanDerWaalsContact O-N 3.1Å; T96-Q99 WeakPolarHBondContact O-CA 3.48Å; T96-Q99 WeakPolarHBondContact O-CB 2.96Å; T96-Q99 PolarHBondContact O-N 3.25Å; T96-I100 PolarHBondContact O-N 2.91Å; T96-I100 VanDerWaalsContact O-N 3.16Å
97R77.9Confident70.9Confident217 Ų217108 Ų10882%0.81960%0.602SS**Hα-helixtrans-54.1-33.5-176.7179.1167.6173160.4-2.7113.5Q99 I100 Q101R97-Q99 VanDerWaalsContact C-N 3.34Å; R97-I100 PolarHBondContact O-N 3.5Å; R97-Q101 PolarHBondContact O-N 3.34Å; R97-Q101 VanDerWaalsContact O-N 3.12Å
98A80.4Confident72.2Confident63 Ų63103.9 Ų103.952%0.52159%0.591SS.*Hα-helixtrans-63.7-40.4174.900000112T96 Q101 D102T96-A98 PolarHBondContact O-N 3.11Å; T96-A98 VanDerWaalsContact O-N 3.1Å; A98-Q101 WeakPolarHBondContact O-CB 3.04Å; A98-Q101 PolarHBondContact O-N 2.99Å; A98-D102 PolarHBondContact O-N 2.86Å
99Q80Confident73.1Confident112 Ų112102.6 Ų102.652%0.52359%0.585SS.*Hα-helixtrans-72.5-31.4-179.1-148.2159.215.800112.1V95 T96 R97 V103V95-Q99 HydrophobicContact CG1-CB 3.92Å; V95-Q99 HydrophobicContact CG1-CG 4.42Å; T96-Q99 WeakPolarHBondContact O-CA 3.48Å; T96-Q99 WeakPolarHBondContact O-CB 2.96Å; T96-Q99 PolarHBondContact O-N 3.25Å; R97-Q99 VanDerWaalsContact C-N 3.34Å; Q99-V103 VanDerWaalsContact O-CG2 3.24Å; Q99-V103 WeakPolarHBondContact O-CG2 3.42Å; Q99-V103 PolarHBondContact O-N 2.84Å
100I79.1Confident74Confident87 Ų87104.5 Ų104.545%0.44658%0.579SS.*Hα-helixtrans-65.5-41.2169.8-60.7174.5000110.5V95 T96 R97 V103 L104V95-I100 HydrophobicContact CB-CD1 4.49Å; V95-I100 HydrophobicContact CB-CG1 4.16Å; V95-I100 HydrophobicContact CG1-CD1 4.39Å; V95-I100 HydrophobicContact CG1-CG1 3.56Å; T96-I100 PolarHBondContact O-N 2.91Å; T96-I100 VanDerWaalsContact O-N 3.16Å; R97-I100 PolarHBondContact O-N 3.5Å; I100-V103 PolarHBondContact O-N 3.48Å; I100-L104 HydrophobicContact CG2-CD1 4.04Å; I100-L104 WeakPolarHBondContact O-CB 3.38Å; I100-L104 PolarHBondContact O-N 3.37Å
101Q86.2Confident75Confident120 Ų120106.6 Ų106.656%0.56157%0.574SS**Hα-helixtrans-67.8-40.1178.6-172.3172.5-16.200111.9R97 A98 L104 Q105R97-Q101 PolarHBondContact O-N 3.34Å; R97-Q101 VanDerWaalsContact O-N 3.12Å; A98-Q101 WeakPolarHBondContact O-CB 3.04Å; A98-Q101 PolarHBondContact O-N 2.99Å; Q101-L104 PolarHBondContact O-N 2.95Å; Q101-Q105 VanDerWaalsContact O-CB 3.31Å; Q101-Q105 WeakPolarHBondContact O-CB 3.46Å; Q101-Q105 PolarHBondContact O-N 3.41Å
102D83.6Confident75.7Confident94 Ų94108 Ų10850%0.50357%0.571SS.*Hα-helixtrans-65.2-40.2175.3-74.7-14.9000112A98 Q105 N106A98-D102 PolarHBondContact O-N 2.86Å; D102-Q105 PolarHBondContact O-N 3.04Å; D102-N106 WeakPolarHBondContact O-CB 3.3Å; D102-N106 PolarHBondContact O-N 2.96Å
103V84.7Confident76Confident85 Ų85111.6 Ų111.652%0.51557%0.568SS.*Hα-helixtrans-64.5-46.4174.8171.90000110.6Q99 I100 Q105 N106 E107Q99-V103 VanDerWaalsContact O-CG2 3.24Å; Q99-V103 WeakPolarHBondContact O-CG2 3.42Å; Q99-V103 PolarHBondContact O-N 2.84Å; I100-V103 PolarHBondContact O-N 3.48Å; V103-Q105 VanDerWaalsContact C-N 3.31Å; V103-Q105 PolarHBondContact O-N 3.28Å; V103-N106 PolarHBondContact O-N 3.43Å; V103-E107 VanDerWaalsContact O-CB 3.27Å; V103-E107 WeakPolarHBondContact O-CB 3.3Å; V103-E107 PolarHBondContact O-N 2.83Å
104L86Confident75.8Confident93 Ų93116.1 Ų116.149%0.48757%0.574SS.*Hα-helixtrans-60.5-39175.3-91.7159000112.7I100 Q101 E107 Q108I100-L104 HydrophobicContact CG2-CD1 4.04Å; I100-L104 WeakPolarHBondContact O-CB 3.38Å; I100-L104 PolarHBondContact O-N 3.37Å; Q101-L104 PolarHBondContact O-N 2.95Å; L104-E107 PolarHBondContact O-N 2.96Å; L104-Q108 WeakPolarHBondContact O-CB 3.36Å; L104-Q108 WeakPolarHBondContact O-CG 3.24Å; L104-Q108 PolarHBondContact O-N 3.34Å
105Q85.9Confident75.6Confident96 Ų96113.1 Ų113.145%0.44956%0.561SS.*Hα-helixtrans-70.2-40.8178.5-172.6172.5-2.400111.4Q101 D102 V103 Q108 Q109Q101-Q105 VanDerWaalsContact O-CB 3.31Å; Q101-Q105 WeakPolarHBondContact O-CB 3.46Å; Q101-Q105 PolarHBondContact O-N 3.41Å; D102-Q105 PolarHBondContact O-N 3.04Å; V103-Q105 VanDerWaalsContact C-N 3.31Å; V103-Q105 PolarHBondContact O-N 3.28Å; Q105-Q108 PolarHBondContact O-N 3.42Å; Q105-Q109 WeakPolarHBondContact O-CB 3.19Å; Q105-Q109 WeakPolarHBondContact O-CG 3.31Å; Q105-Q109 PolarHBondContact O-N 3.1Å
106N82.7Confident75.2Confident91 Ų91114.4 Ų114.449%0.48757%0.571SS.*Hα-helixtrans-65.9-38.6173.6-82.5-15.9000112.1D102 V103 Q109 Q110D102-N106 WeakPolarHBondContact O-CB 3.3Å; D102-N106 PolarHBondContact O-N 2.96Å; V103-N106 PolarHBondContact O-N 3.43Å; N106-Q109 PolarHBondContact O-N 3.32Å; N106-Q110 WeakPolarHBondContact O-CB 3.37Å; N106-Q110 WeakPolarHBondContact O-CG 3.19Å; N106-Q110 PolarHBondContact O-N 2.99Å
107E82.7Confident74.5Confident114 Ų114118 Ų11853%0.53358%0.58SS.*Hα-helixtrans-67.9-39.9177.5-157.9171.5-17000110.8V103 L104 Q110 E111V103-E107 VanDerWaalsContact O-CB 3.27Å; V103-E107 WeakPolarHBondContact O-CB 3.3Å; V103-E107 PolarHBondContact O-N 2.83Å; L104-E107 PolarHBondContact O-N 2.96Å; E107-Q110 PolarHBondContact O-N 3.06Å; E107-E111 WeakPolarHBondContact O-CB 3.38Å; E107-E111 PolarHBondContact O-N 3.36Å
108Q80.5Confident73.7Confident118 Ų118116.9 Ų116.955%0.55158%0.584SS**Hα-helixtrans-64.1-39.1170.3-79.7-1757.300112.9L104 Q105 E111 L112L104-Q108 WeakPolarHBondContact O-CB 3.36Å; L104-Q108 WeakPolarHBondContact O-CG 3.24Å; L104-Q108 PolarHBondContact O-N 3.34Å; Q105-Q108 PolarHBondContact O-N 3.42Å; Q108-E111 PolarHBondContact O-N 3.27Å; Q108-L112 WeakPolarHBondContact O-CB 3.21Å; Q108-L112 WeakPolarHBondContact O-CG 3.32Å; Q108-L112 PolarHBondContact O-N 2.63Å
109Q74.3Confident72.7Confident102 Ų102120.9 Ų120.948%0.47759%0.589SS.*Hα-helixtrans-66.7-40.9175.3-77.1-179.2-6.800111.4Q105 N106 L112 E113Q105-Q109 WeakPolarHBondContact O-CB 3.19Å; Q105-Q109 WeakPolarHBondContact O-CG 3.31Å; Q105-Q109 PolarHBondContact O-N 3.1Å; N106-Q109 PolarHBondContact O-N 3.32Å; Q109-L112 PolarHBondContact O-N 3.43Å; Q109-E113 WeakPolarHBondContact O-CG 3.3Å; Q109-E113 PolarHBondContact O-N 3.12Å
110Q71.8Confident71.7Confident126 Ų126119 Ų11959%0.58959%0.588SS**Hα-helixtrans-64.6-40.7173.1-77.7-176.6-0.200111.8N106 E107 L112 E113 M114N106-Q110 WeakPolarHBondContact O-CB 3.37Å; N106-Q110 WeakPolarHBondContact O-CG 3.19Å; N106-Q110 PolarHBondContact O-N 2.99Å; E107-Q110 PolarHBondContact O-N 3.06Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 2.65Å; Q110-E113 CarbonylContact O-C 3.6Å; Q110-E113 PolarHBondContact O-N 2.9Å; Q110-M114 WeakPolarHBondContact O-CB 3.36Å; Q110-M114 WeakPolarHBondContact O-CG 3.38Å; Q110-M114 PolarHBondContact O-N 2.92Å
111E70.3Confident70.9Confident132 Ų132123.1 Ų123.162%0.61761%0.605SS**Hα-helixtrans-62.7-36.6172.8-87.4-169.1142.800112.2E107 Q108 M114 K115E107-E111 WeakPolarHBondContact O-CB 3.38Å; E107-E111 PolarHBondContact O-N 3.36Å; Q108-E111 PolarHBondContact O-N 3.27Å; E111-M114 CarbonylContact O-C 3.59Å; E111-M114 PolarHBondContact O-N 3Å; E111-K115 WeakPolarHBondContact O-CG 3.41Å; E111-K115 PolarHBondContact O-N 2.87Å
112L66Low69.7Low108 Ų108125.5 Ų125.557%0.56562%0.621SS**Hα-helixtrans-70.7-31.5175.3-71.9168.4000112.7Q108 Q109 Q110 K115Q108-L112 WeakPolarHBondContact O-CB 3.21Å; Q108-L112 WeakPolarHBondContact O-CG 3.32Å; Q108-L112 PolarHBondContact O-N 2.63Å; Q109-L112 PolarHBondContact O-N 3.43Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 2.65Å; L112-K115 HydrophobicContact CD2-CD 4.38Å
113E61.1Low68.6Low148 Ų148127.2 Ų127.269%0.69263%0.626SS**Hα-helixtrans-77.9-30.3172-72.9-170156.300113Q109 Q110Q109-E113 WeakPolarHBondContact O-CG 3.3Å; Q109-E113 PolarHBondContact O-N 3.12Å; Q110-E113 CarbonylContact O-C 3.6Å; Q110-E113 PolarHBondContact O-N 2.9Å
114M56.7Low67.7Low157 Ų157126.1 Ų126.177%0.77362%0.619SS**Hα-helixtrans-84.2-12.3177.1-69-87.1-70.400112.9Q110 E111Q110-M114 WeakPolarHBondContact O-CB 3.36Å; Q110-M114 WeakPolarHBondContact O-CG 3.38Å; Q110-M114 PolarHBondContact O-N 2.92Å; E111-M114 CarbonylContact O-C 3.59Å; E111-M114 PolarHBondContact O-N 3Å
115K58.5Low67.1Low136 Ų136127.3 Ų127.359%0.59163%0.633SS**SBendtrans-58.8125163.9-83.5-175.5-173-176.90107.3E111 L112 K117E111-K115 WeakPolarHBondContact O-CG 3.41Å; E111-K115 PolarHBondContact O-N 2.87Å; L112-K115 HydrophobicContact CD2-CD 4.38Å; K115-K117 PolarHBondContact O-N 2.99Å
116P54Low66.4Low119 Ų119130 Ų13077%0.77365%0.65SS**  trans-63.2104.4-173.425.7-33000108.1E118P116-E118 PolarHBondContact O-N 3.31Å
117K62.3Low65.7Low161 Ų161134.8 Ų134.870%0.767%0.669SS**  trans-56.5132.3161.8-68.3177.8-177.2170.70105.8K115 K119K115-K117 PolarHBondContact O-N 2.99Å; K117-K119 PolarHBondContact O-N 3.26Å
118E60.8Low65.2Low193 Ų193136.5 Ų136.590%0.90268%0.677SS**  trans-49.1117.1179.3-66.5178.9163.900108.5P116 S120P116-E118 PolarHBondContact O-N 3.31Å; E118-S120 PolarHBondContact O-N 3.22Å
119K58.7Low64.9Low147 Ų147135.9 Ų135.964%0.63968%0.677SS**  trans-56.3110.9-173.4-65.6179.3-179.8178.20107.7K117 E123K117-K119 PolarHBondContact O-N 3.26Å; K119-E123 HydrophobicContact CB-CB 4.02Å; K119-E123 HydrophobicContact CG-CB 4.48Å
120S60Low64.8Low71 Ų71138.9 Ų138.950%0.49770%0.695SS.*  trans-58.1156.6176.168.50000109.4E118 L122 E123E118-S120 PolarHBondContact O-N 3.22Å; S120-L122 PolarHBondContact O-N 2.86Å; S120-E123 PolarHBondContact O-N 2.78Å
121H62Low64.7Low174 Ų174139.7 Ų139.781%0.80670%0.703SS**THydrogen-bonded Turntrans-52.7-8.3176-87.9-69.4000115.1T124H121-T124 PolarHBondContact O-OG1 2.85Å
122L61.3Low64.5Low170 Ų170142 Ų14289%0.8971%0.706SS**THydrogen-bonded Turntrans-80.9-23.2171.7-122.979000114.2S120S120-L122 PolarHBondContact O-N 2.86Å
123E59.7Low64.4Low131 Ų131143.2 Ų143.261%0.61272%0.718SS**THydrogen-bonded Turntrans-100.4-18.8-178-91.2-176.2157.200113.7K119 S120 P125K119-E123 HydrophobicContact CB-CB 4.02Å; K119-E123 HydrophobicContact CG-CB 4.48Å; S120-E123 PolarHBondContact O-N 2.78Å; E123-P125 WeakPolarHBondContact O-CD 3.47Å
124T66.3Low64.3Low61 Ų61140.7 Ų140.737%0.37471%0.708SS.*SBendtrans-75.2118.3167.645.40000108.7H121 L126H121-T124 PolarHBondContact O-OG1 2.85Å; T124-L126 PolarHBondContact O-N 3.43Å
125P73.1Confident64.3Low119 Ų119134.7 Ų134.777%0.77368%0.684SS**PPolyproline II helixtrans-59.4129.217525.1-31.7000108.5E123 E127E123-P125 WeakPolarHBondContact O-CD 3.47Å; P125-E127 PolarHBondContact O-N 2.86Å
126L70.8Confident64.2Low153 Ų153136.4 Ų136.480%0.80169%0.694SS**PPolyproline II helixtrans-59.7128176-84.873.7000108.5T124 E128T124-L126 PolarHBondContact O-N 3.43Å; L126-E128 PolarHBondContact O-N 2.9Å
127E69.3Low64.3Low190 Ų190140.7 Ų140.789%0.88870%0.704SS**PPolyproline II helixtrans-61.8127.4171.9-69.3-179.9173.400109.1P125 N129P125-E127 PolarHBondContact O-N 2.86Å; E127-N129 PolarHBondContact O-N 2.91Å
128E72.1Confident64Low150 Ų150136.6 Ų136.670%0.70171%0.707SS**PPolyproline II helixtrans-66.7135.8-178.2-62.5-169.9146.700110.2L126 I130L126-E128 PolarHBondContact O-N 2.9Å; E128-I130 PolarHBondContact O-N 3.22Å
129N73.4Confident63.8Low105 Ų105130.7 Ų130.756%0.56169%0.687SS**  trans-66.5109-179.9-171.6-18.9000109.5E127 N131 R132E127-N129 PolarHBondContact O-N 2.91Å; N129-N131 PolarHBondContact O-N 3.36Å; N129-N131 PolarHBondContact OD1-N 2.95Å; N129-N131 VanDerWaalsContact OD1-N 3.11Å; N129-R132 HydrophobicContact CB-CB 4.37Å; N129-R132 VanDerWaalsContact O-CB 3.32Å; N129-R132 WeakPolarHBondContact O-CB 3.37Å; N129-R132 PolarHBondContact O-N 3.07Å
130I72.6Confident64.1Low166 Ų166128 Ų12885%0.85168%0.683SS**THydrogen-bonded Turntrans-52.6-19.8176.918.7169.3000114.6E128E128-I130 PolarHBondContact O-N 3.22Å
131N69.8Low64.4Low143 Ų143129.4 Ų129.477%0.76568%0.682SS**THydrogen-bonded Turntrans-91.6-4.7175.4-64.4-41.1000113.8N129 V133N129-N131 PolarHBondContact O-N 3.36Å; N129-N131 PolarHBondContact OD1-N 2.95Å; N129-N131 VanDerWaalsContact OD1-N 3.11Å; N131-V133 PolarHBondContact O-N 3.35Å
132R66.9Low65Low179 Ų179123.1 Ų123.168%0.67566%0.659SS**SBendtrans-86.5100.2169.9-172.4178170.3-132-4.3106.9N129 I134N129-R132 HydrophobicContact CB-CB 4.37Å; N129-R132 VanDerWaalsContact O-CB 3.32Å; N129-R132 WeakPolarHBondContact O-CB 3.37Å; N129-R132 PolarHBondContact O-N 3.07Å; R132-I134 VanDerWaalsContact C-N 3.29Å; R132-I134 PolarHBondContact O-N 3.43Å
133V62.1Low65.8Low135 Ų135124.6 Ų124.682%0.81865%0.653SS**  trans-63.394.9170.8-175.90000107N131 A135N131-V133 PolarHBondContact O-N 3.35Å; V133-A135 PolarHBondContact O-N 3.19Å
134I59.2Low67Low94 Ų94122.1 Ų122.148%0.48265%0.647SS.*  trans-67.3113163.5-60.4172.4000103.7R132 E136R132-I134 VanDerWaalsContact C-N 3.29Å; R132-I134 PolarHBondContact O-N 3.43Å; I134-E136 PolarHBondContact O-N 3.28Å
135A58.6Low67.7Low32 Ų32126 Ų12626%0.26466%0.664SS.*  trans-53119.8173.700000107V133 E141V133-A135 PolarHBondContact O-N 3.19Å; A135-E141 HydrophobicContact CB-CG 4.35Å
136E56.3Low67.9Low172 Ų172128 Ų12880%0.80466%0.663SS**  trans-46.2146-172.7-150.2175.4-165.100110.9I134 G138 S139I134-E136 PolarHBondContact O-N 3.28Å; E136-G138 PolarHBondContact O-N 3.43Å; E136-S139 PolarHBondContact O-N 2.94Å
137E54.6Low68.4Low209 Ų209124.1 Ų124.198%0.97764%0.641SS**THydrogen-bonded Turntrans-59.880.9-176.8-138.9176.9-168.800110.6
138G55.7Low69Low74 Ų74116.6 Ų116.676%0.76361%0.611SS**THydrogen-bonded Turntrans149.9-15.5-166.500000114.9E136 V140E136-G138 PolarHBondContact O-N 3.43Å; G138-V140 PolarHBondContact O-N 3.3Å
139S58.2Low69.3Low69 Ų69114.3 Ų114.348%0.48360%0.603SS.*  trans-78107.7171171.10000110.1E136 E141E136-S139 PolarHBondContact O-N 2.94Å; S139-E141 PolarHBondContact O-N 3.45Å
140V63.9Low69.5Low92 Ų92113.5 Ų113.556%0.55861%0.605SS**  trans-72.6100.4174-169.50000108.9G138 A142 V151G138-V140 PolarHBondContact O-N 3.3Å; V140-A142 PolarHBondContact O-N 3.09Å; V140-A142 VanDerWaalsContact O-N 3.15Å; V140-V151 HydrophobicContact CB-CG1 4.21Å; V140-V151 HydrophobicContact CB-CG2 3.92Å; V140-V151 HydrophobicContact CG1-CG2 3.39Å
141E67.3Low69.7Low100 Ų100109 Ų10947%0.46759%0.585SS.*  trans-72.6100.4172.6-70.4-175.2169.200109.9A135 S139 R143A135-E141 HydrophobicContact CB-CG 4.35Å; S139-E141 PolarHBondContact O-N 3.45Å; E141-R143 PolarHBondContact O-N 3.02Å; E141-R143 VanDerWaalsContact O-N 3.17Å; E141-R143 IonicContact OE2-CZ 3.97Å; E141-R143 IonicContact OE2-NE 2.99Å; E141-R143 PolarHBondContact OE2-NE 2.8Å; E141-R143 IonicContact OE2-NH2 3.83Å; E141-R143 PolarHBondContact OE2-NH2 2.93Å
142A72.9Confident70Confident41 Ų41108.8 Ų108.834%0.33958%0.583SS.*  trans-72.4107.1169.300000111.1V140 E147 A148V140-A142 PolarHBondContact O-N 3.09Å; V140-A142 VanDerWaalsContact O-N 3.15Å; A142-E147 HydrophobicContact CB-CB 4.04Å; A142-E147 HydrophobicContact CB-CG 3.93Å; A142-A148 HydrophobicContact CB-CB 3.66Å; A142-A148 VanDerWaalsContact CB-N 3.26Å
143R79.4Confident70.2Confident201 Ų201103.5 Ų103.576%0.75857%0.574SS**  trans-88.9-14179-65-177.2179.2179.41.5112.7E141 E147E141-R143 PolarHBondContact O-N 3.02Å; E141-R143 VanDerWaalsContact O-N 3.17Å; E141-R143 IonicContact OE2-CZ 3.97Å; E141-R143 IonicContact OE2-NE 2.99Å; E141-R143 PolarHBondContact OE2-NE 2.8Å; E141-R143 IonicContact OE2-NH2 3.83Å; E141-R143 PolarHBondContact OE2-NH2 2.93Å; R143-E147 PolarHBondContact N-OE2 2.94Å
144T84.1Confident70.2Confident80 Ų80104.3 Ų104.349%0.49158%0.579SS.*SBendtrans-123.9157.5178.362.40000111.4E146 E147 A148T144-E146 VanDerWaalsContact C-N 3.27Å; T144-E146 PolarHBondContact O-N 3.47Å; T144-E147 PolarHBondContact O-N 3.46Å; T144-E147 WeakPolarHBondContact OG1-CB 3.39Å; T144-E147 PolarHBondContact OG1-N 3.16Å; T144-A148 PolarHBondContact O-N 3.23Å
145I81.8Confident70.3Confident142 Ų142102 Ų10273%0.72858%0.578SS**Hα-helixtrans-61.2-40.2179.8-60.8172.4000110.4A148 I149I145-A148 PolarHBondContact O-N 3.09Å; I145-I149 HydrophobicContact CG2-CD1 3.89Å; I145-I149 WeakPolarHBondContact O-CD1 3.2Å; I145-I149 VanDerWaalsContact O-CG1 3.22Å; I145-I149 WeakPolarHBondContact O-CG1 3.34Å; I145-I149 PolarHBondContact O-N 3.15Å
146E78Confident70Confident161 Ų161104.5 Ų104.575%0.75259%0.592SS**Hα-helixtrans-64.8-41.9177.3-69.9173.3179.800112.1T144 A148 I149 S150T144-E146 VanDerWaalsContact C-N 3.27Å; T144-E146 PolarHBondContact O-N 3.47Å; E146-A148 VanDerWaalsContact C-N 3.32Å; E146-A148 PolarHBondContact O-N 3.36Å; E146-I149 PolarHBondContact O-N 3.02Å; E146-S150 WeakPolarHBondContact O-CB 3.46Å; E146-S150 PolarHBondContact O-N 3.04Å
147E80.3Confident70.1Confident72 Ų72105.3 Ų105.334%0.33660%0.596SS.*Hα-helixtrans-66.1-36.4175.7-168.5177.7-162.900111.4A142 R143 T144 S150 V151A142-E147 HydrophobicContact CB-CB 4.04Å; A142-E147 HydrophobicContact CB-CG 3.93Å; R143-E147 PolarHBondContact N-OE2 2.94Å; T144-E147 PolarHBondContact O-N 3.46Å; T144-E147 WeakPolarHBondContact OG1-CB 3.39Å; T144-E147 PolarHBondContact OG1-N 3.16Å; E147-S150 PolarHBondContact O-N 3.37Å; E147-V151 WeakPolarHBondContact O-CB 3.17Å; E147-V151 VanDerWaalsContact O-CG2 3.26Å; E147-V151 WeakPolarHBondContact O-CG2 3.39Å; E147-V151 PolarHBondContact O-N 3.23Å
148A81.1Confident70.3Confident32 Ų32101 Ų10126%0.26458%0.58SS.*Hα-helixtrans-67-40.2176.100000111.1A142 T144 I145 E146 S150 L152A142-A148 HydrophobicContact CB-CB 3.66Å; A142-A148 VanDerWaalsContact CB-N 3.26Å; T144-A148 PolarHBondContact O-N 3.23Å; I145-A148 PolarHBondContact O-N 3.09Å; E146-A148 VanDerWaalsContact C-N 3.32Å; E146-A148 PolarHBondContact O-N 3.36Å; A148-S150 VanDerWaalsContact C-N 3.34Å; A148-L152 WeakPolarHBondContact O-CB 3.38Å; A148-L152 WeakPolarHBondContact O-CD1 3.45Å; A148-L152 VanDerWaalsContact O-CG 3.27Å; A148-L152 WeakPolarHBondContact O-CG 3.41Å; A148-L152 PolarHBondContact O-N 3.09Å
149I78.6Confident70.6Confident101 Ų101100.1 Ų100.152%0.51856%0.557SS.*Hα-helixtrans-65.1-39.2174.6-67.9163.6000110.8I145 E146 S153I145-I149 HydrophobicContact CG2-CD1 3.89Å; I145-I149 WeakPolarHBondContact O-CD1 3.2Å; I145-I149 VanDerWaalsContact O-CG1 3.22Å; I145-I149 WeakPolarHBondContact O-CG1 3.34Å; I145-I149 PolarHBondContact O-N 3.15Å; E146-I149 PolarHBondContact O-N 3.02Å; I149-S153 WeakPolarHBondContact O-CA 3.39Å; I149-S153 WeakPolarHBondContact O-CB 3.39Å; I149-S153 PolarHBondContact O-N 2.93Å; I149-S153 PolarHBondContact O-OG 3.17Å
150S77.5Confident71Confident88 Ų8898.9 Ų98.962%0.61555%0.545SS*.Hα-helixtrans-65-48.8177.6-171.80000111.8E146 E147 A148 L152 S153E146-S150 WeakPolarHBondContact O-CB 3.46Å; E146-S150 PolarHBondContact O-N 3.04Å; E147-S150 PolarHBondContact O-N 3.37Å; A148-S150 VanDerWaalsContact C-N 3.34Å; S150-L152 PolarHBondContact O-N 2.77Å; S150-S153 PolarHBondContact O-N 3.17Å
151V78.4Confident71.4Confident71 Ų71100.6 Ų100.643%0.4354%0.542SS..Hα-helixtrans-67.5-35.9-179.2173.80000112.4V140 E147V140-V151 HydrophobicContact CB-CG1 4.21Å; V140-V151 HydrophobicContact CB-CG2 3.92Å; V140-V151 HydrophobicContact CG1-CG2 3.39Å; E147-V151 WeakPolarHBondContact O-CB 3.17Å; E147-V151 VanDerWaalsContact O-CG2 3.26Å; E147-V151 WeakPolarHBondContact O-CG2 3.39Å; E147-V151 PolarHBondContact O-N 3.23Å
152L75.4Confident71.8Confident139 Ų13999.6 Ų99.673%0.72854%0.537SS*.Hα-helixtrans-89.2-11.2-179.9-65.6169000113.6A148 S150 T154A148-L152 WeakPolarHBondContact O-CB 3.38Å; A148-L152 WeakPolarHBondContact O-CD1 3.45Å; A148-L152 VanDerWaalsContact O-CG 3.27Å; A148-L152 WeakPolarHBondContact O-CG 3.41Å; A148-L152 PolarHBondContact O-N 3.09Å; S150-L152 PolarHBondContact O-N 2.77Å; L152-T154 PolarHBondContact O-N 2.85Å
153S70.9Confident72.2Confident68 Ų6898.3 Ų98.348%0.47653%0.525SS..  trans-7398.8175.9-80.50000109.9I149 S150 G155I149-S153 WeakPolarHBondContact O-CA 3.39Å; I149-S153 WeakPolarHBondContact O-CB 3.39Å; I149-S153 PolarHBondContact O-N 2.93Å; I149-S153 PolarHBondContact O-OG 3.17Å; S150-S153 PolarHBondContact O-N 3.17Å; S153-G155 PolarHBondContact O-N 3.14Å; S153-G155 VanDerWaalsContact O-N 3.09Å
154T62Low72.3Confident152 Ų15296.6 Ų96.693%0.93353%0.525SS*.  trans-76.223.816162.20000111.9L152L152-T154 PolarHBondContact O-N 2.85Å
155G60.9Low72.2Confident45 Ų45102.3 Ų102.346%0.46454%0.538SS..SBendtrans-100.7141.4-17800000110.4S153 E157S153-G155 PolarHBondContact O-N 3.14Å; S153-G155 VanDerWaalsContact O-N 3.09Å; G155-E157 PolarHBondContact O-N 3.1Å
156P53.6Low72.2Confident85 Ų85100.7 Ų100.755%0.55252%0.523SS*.  trans-64.6115.9-158.425.9-35.5000112.3D158 L159P156-D158 PolarHBondContact O-N 3.12Å; P156-D158 VanDerWaalsContact O-N 3.08Å; P156-L159 HydrophobicContact CB-CD2 3.96Å; P156-L159 HydrophobicContact CB-CG 3.86Å; P156-L159 HydrophobicContact CG-CD1 3.49Å; P156-L159 VanDerWaalsContact CG-CD1 3.49Å; P156-L159 HydrophobicContact CG-CD2 3.68Å; P156-L159 HydrophobicContact CG-CG 3.31Å
157E57.8Low72.6Confident190 Ų19095.1 Ų95.189%0.88850%0.497SS*.THydrogen-bonded Turntrans-46.4114.8151.4-119.3178169.100107.6G155G155-E157 PolarHBondContact O-N 3.1Å
158D58.1Low72.9Confident118 Ų11899.8 Ų99.863%0.63152%0.516SS*.THydrogen-bonded Turntrans56.264.1172.6-65.4-37.9000118P156 D160 R161P156-D158 PolarHBondContact O-N 3.12Å; P156-D158 VanDerWaalsContact O-N 3.08Å; D158-D160 PolarHBondContact O-N 3.01Å; D158-R161 IonicContact OD1-CZ 3.47Å; D158-R161 IonicContact OD1-NH1 3.17Å; D158-R161 PolarHBondContact OD1-NH1 3.15Å; D158-R161 IonicContact OD1-NH2 3.44Å
159L63.2Low73.3Confident56 Ų56101.2 Ų101.229%0.29353%0.528SS..  trans-57.2112.6151.1-69.1173.9000109P156 R161 R213 A215P156-L159 HydrophobicContact CB-CD2 3.96Å; P156-L159 HydrophobicContact CB-CG 3.86Å; P156-L159 HydrophobicContact CG-CD1 3.49Å; P156-L159 VanDerWaalsContact CG-CD1 3.49Å; P156-L159 HydrophobicContact CG-CD2 3.68Å; P156-L159 HydrophobicContact CG-CG 3.31Å; L159-R161 VanDerWaalsContact O-CD 3.24Å; L159-R161 WeakPolarHBondContact O-CD 3.39Å; L159-R161 PolarHBondContact O-N 3.09Å; L159-R161 PolarHBondContact O-NE 3.22Å; L159-R213 HydrophobicContact CD2-CB 4.41Å; L159-R213 WeakPolarHBondContact CD2-O 3.15Å; L159-A215 HydrophobicContact CB-CB 3.68Å; L159-A215 HydrophobicContact CD1-CB 4.21Å
160D65.3Low73.8Confident42 Ų4297.6 Ų97.623%0.22551%0.514CS..  trans-58.8124.3177.9174.334.5000110.9D158 H162 P163 R166D158-D160 PolarHBondContact O-N 3.01Å; D160-H162 VanDerWaalsContact C-N 3.34Å; D160-H162 PolarHBondContact OD1-N 2.92Å; D160-P163 WeakPolarHBondContact OD2-CA 3.48Å; D160-P163 VanDerWaalsContact OD2-N 3.16Å; D160-R166 VanDerWaalsContact CG-NE 3.29Å; D160-R166 IonicContact OD2-CZ 3.2Å; D160-R166 IonicContact OD2-NE 3.66Å; D160-R166 PolarHBondContact OD2-NE 3.2Å; D160-R166 IonicContact OD2-NH2 2.92Å; D160-R166 PolarHBondContact OD2-NH2 3.26Å
161R73.5Confident74.5Confident128 Ų12895.5 Ų95.548%0.48349%0.494SS..SBendtrans-84.2-12.5-179-59.891.6-177.9169.63111.9D158 L159 P163 A215D158-R161 IonicContact OD1-CZ 3.47Å; D158-R161 IonicContact OD1-NH1 3.17Å; D158-R161 PolarHBondContact OD1-NH1 3.15Å; D158-R161 IonicContact OD1-NH2 3.44Å; L159-R161 VanDerWaalsContact O-CD 3.24Å; L159-R161 WeakPolarHBondContact O-CD 3.39Å; L159-R161 PolarHBondContact O-N 3.09Å; L159-R161 PolarHBondContact O-NE 3.22Å; R161-P163 VanDerWaalsContact C-CD 3.46Å; R161-A215 HydrophobicContact CG-CB 4.45Å
162H76.2Confident75.1Confident80 Ų8095 Ų9537%0.3749%0.491SS..  trans-130.361.9-175.2-58.6-27.1000113.4D160 E164 R165 Y217D160-H162 VanDerWaalsContact C-N 3.34Å; D160-H162 PolarHBondContact OD1-N 2.92Å; H162-E164 PolarHBondContact O-N 2.93Å; H162-E164 VanDerWaalsContact O-N 3.15Å; H162-R165 HydrophobicContact CB-CB 4.4Å; H162-R165 HydrophobicContact CB-CG 4.14Å; H162-R165 PolarHBondContact O-N 3.1Å; H162-Y217 AromaticContact CE1-CD2 3.88Å; H162-Y217 AromaticContact CE1-CE2 3.88Å
163P80.9Confident75.9Confident13 Ų1391.1 Ų91.18%0.08448%0.479CS..Hα-helixtrans-56.8-34.9178.422.8-33.3000112D160 R161 R165 R166 M167 P209 F214D160-P163 WeakPolarHBondContact OD2-CA 3.48Å; D160-P163 VanDerWaalsContact OD2-N 3.16Å; R161-P163 VanDerWaalsContact C-CD 3.46Å; P163-R165 VanDerWaalsContact C-N 3.26Å; P163-R165 PolarHBondContact O-N 3.47Å; P163-R166 PolarHBondContact O-N 3.02Å; P163-R166 VanDerWaalsContact O-N 3.09Å; P163-M167 WeakPolarHBondContact O-CG 3.36Å; P163-M167 PolarHBondContact O-N 3.08Å; P163-P209 HydrophobicContact CB-CB 4.09Å; P163-F214 HydrophobicContact CG-CB 4.27Å; P163-F214 HydrophobicContact CG-CD2 4.42Å; P163-F214 HydrophobicContact CG-CG 4.18Å
164E80.3Confident76.9Confident165 Ų16589 Ų8977%0.77146%0.461SS*.Hα-helixtrans-56.8-33.8178-61.9-175.8177.100113.9H162H162-E164 PolarHBondContact O-N 2.93Å; H162-E164 VanDerWaalsContact O-N 3.15Å
165R82.5Confident78.3Confident201 Ų20183.7 Ų83.776%0.75843%0.426SS*.Hα-helixtrans-74.8-33.4179.1-65-178.376.51782.2111.6H162 P163H162-R165 HydrophobicContact CB-CB 4.4Å; H162-R165 HydrophobicContact CB-CG 4.14Å; H162-R165 PolarHBondContact O-N 3.1Å; P163-R165 VanDerWaalsContact C-N 3.26Å; P163-R165 PolarHBondContact O-N 3.47Å
166R82.6Confident79.8Confident108 Ų10888.8 Ų88.841%0.40844%0.437SS..Hα-helixtrans-80.4-22.5177.8-68.1-168.8-65.5143.97.7113D160 P163 K168 A169 A170 P209D160-R166 VanDerWaalsContact CG-NE 3.29Å; D160-R166 IonicContact OD2-CZ 3.2Å; D160-R166 IonicContact OD2-NE 3.66Å; D160-R166 PolarHBondContact OD2-NE 3.2Å; D160-R166 IonicContact OD2-NH2 2.92Å; D160-R166 PolarHBondContact OD2-NH2 3.26Å; P163-R166 PolarHBondContact O-N 3.02Å; P163-R166 VanDerWaalsContact O-N 3.09Å; R166-K168 VanDerWaalsContact C-N 3.27Å; R166-K168 PolarHBondContact O-N 2.97Å; R166-A169 PolarHBondContact O-N 3.07Å; R166-A169 VanDerWaalsContact O-N 3.14Å; R166-A170 VanDerWaalsContact O-CB 3.3Å; R166-A170 WeakPolarHBondContact O-CB 3.36Å; R166-A170 PolarHBondContact O-N 3.12Å; R166-P209 HydrophobicContact CB-CG 4.11Å
167M85.5Confident81.6Confident44 Ų4488.1 Ų88.122%0.21744%0.439CS..Hα-helixtrans-48.3-46.3178.5-76.1-61.1-74.200113.6P163 F171 N208 P209 L210P163-M167 WeakPolarHBondContact O-CG 3.36Å; P163-M167 PolarHBondContact O-N 3.08Å; M167-F171 WeakPolarHBondContact O-CB 3.35Å; M167-F171 PolarHBondContact O-N 2.9Å; M167-N208 WeakPolarHBondContact CE-OD1 3.37Å; M167-N208 PolarHBondContact SD-OD1 2.85Å; M167-P209 HydrophobicContact SD-CB 4.35Å; M167-P209 HydrophobicContact SD-CG 4.27Å; M167-L210 HydrophobicContact CE-CD1 3.43Å; M167-L210 VanDerWaalsContact CE-CD1 3.43Å; M167-L210 HydrophobicContact CE-CG 3.99Å; M167-L210 HydrophobicContact CG-CG 4.41Å; M167-L210 HydrophobicContact SD-CB 4.43Å; M167-L210 HydrophobicContact SD-CD1 3.76Å; M167-L210 HydrophobicContact SD-CG 3.6Å; M167-L210 VanDerWaalsContact SD-CG 3.6Å
168K87.3Confident83.2Confident169 Ų16980.7 Ų80.774%0.73541%0.406SS*.Hα-helixtrans-68.5-44.4-177.2-172.3177.2178.5-176.90111.8R166 T172R166-K168 VanDerWaalsContact C-N 3.27Å; R166-K168 PolarHBondContact O-N 2.97Å; K168-T172 WeakPolarHBondContact O-CG2 3.28Å; K168-T172 PolarHBondContact O-N 3.05Å; K168-T172 PolarHBondContact O-OG1 3.14Å
169A89.4Confident84.6Confident62 Ų6276 Ų7651%0.51238%0.38SS..Hα-helixtrans-68.7-41.8-179.800000111.9R166 T172 A173R166-A169 PolarHBondContact O-N 3.07Å; R166-A169 VanDerWaalsContact O-N 3.14Å; A169-T172 WeakPolarHBondContact CA-OG1 3.42Å; A169-T172 PolarHBondContact O-N 3.28Å; A169-T172 PolarHBondContact O-OG1 3.4Å; A169-A173 PolarHBondContact O-N 3.41Å
170A89.4Confident86Confident26 Ų2676.6 Ų76.622%0.21539%0.387CS..Hα-helixtrans-68-39.2177.900000111R166 A173 F174 W202 P209R166-A170 VanDerWaalsContact O-CB 3.3Å; R166-A170 WeakPolarHBondContact O-CB 3.36Å; R166-A170 PolarHBondContact O-N 3.12Å; A170-A173 PolarHBondContact O-N 2.88Å; A170-F174 WeakPolarHBondContact O-CB 3.47Å; A170-F174 PolarHBondContact O-N 3.16Å; A170-W202 VanDerWaalsContact C-CH2 3.43Å; A170-W202 HydrophobicContact CB-CH2 3.53Å; A170-W202 HydrophobicContact CB-CZ2 3.97Å; A170-P209 HydrophobicContact CB-CG 4.03Å
171F91.1Very high87.2Confident44 Ų4481.4 Ų81.419%0.19340%0.402CS..Hα-helixtrans-64-40173.6-177.9-100.4000112.6M167 F174 E175 L198 K199 W202M167-F171 WeakPolarHBondContact O-CB 3.35Å; M167-F171 PolarHBondContact O-N 2.9Å; F171-F174 PolarHBondContact O-N 3.46Å; F171-E175 WeakPolarHBondContact O-CB 3.25Å; F171-E175 PolarHBondContact O-N 3.33Å; F171-L198 HydrophobicContact CE2-CD2 3.87Å; F171-L198 HydrophobicContact CZ-CD2 3.85Å; F171-K199 HydrophobicContact CE2-CG 3.93Å; F171-K199 HydrophobicContact CZ-CG 3.9Å; F171-W202 HydrophobicContact CB-CZ2 4.19Å; F171-W202 HydrophobicContact CD2-CB 4.22Å; F171-W202 AromaticContact CD2-CD1 3.58Å; F171-W202 AromaticContact CD2-CD2 3.89Å; F171-W202 HydrophobicContact CD2-CD2 3.89Å; F171-W202 AromaticContact CD2-CE2 3.99Å; F171-W202 AromaticContact CD2-CG 3.61Å; F171-W202 HydrophobicContact CD2-CG 3.61Å; F171-W202 AromaticContact CD2-NE1 3.79Å; F171-W202 HydrophobicContact CE2-CB 4.2Å; F171-W202 HydrophobicContact CE2-CG 4.06Å
172T91.7Very high88Confident61 Ų6175.4 Ų75.437%0.37438%0.38SS..Hα-helixtrans-65.9-42.3176.647.30000112K168 A169 F174 E175 E176K168-T172 WeakPolarHBondContact O-CG2 3.28Å; K168-T172 PolarHBondContact O-N 3.05Å; K168-T172 PolarHBondContact O-OG1 3.14Å; A169-T172 WeakPolarHBondContact CA-OG1 3.42Å; A169-T172 PolarHBondContact O-N 3.28Å; A169-T172 PolarHBondContact O-OG1 3.4Å; T172-F174 VanDerWaalsContact C-N 3.31Å; T172-F174 PolarHBondContact O-N 2.76Å; T172-E175 PolarHBondContact O-N 3.01Å; T172-E176 WeakPolarHBondContact O-CG 3.47Å; T172-E176 PolarHBondContact O-N 3.4Å
173A92.4Very high88.7Confident57 Ų5776.8 Ų76.847%0.47139%0.385SS..Hα-helixtrans-62.1-40.5175.300000111.6A169 A170 E176 A177A169-A173 PolarHBondContact O-N 3.41Å; A170-A173 PolarHBondContact O-N 2.88Å; A173-E176 PolarHBondContact O-N 3.3Å; A173-A177 WeakPolarHBondContact O-CB 3.38Å; A173-A177 PolarHBondContact O-N 2.92Å; A173-A177 VanDerWaalsContact O-N 3.11Å
174F91.8Very high89.2Confident22 Ų2283.2 Ų83.210%0.09642%0.415CS..Hα-helixtrans-68.7-37.7176.2-173-94000113A170 F171 T172 N178 L198 E201 W202A170-F174 WeakPolarHBondContact O-CB 3.47Å; A170-F174 PolarHBondContact O-N 3.16Å; F171-F174 PolarHBondContact O-N 3.46Å; T172-F174 VanDerWaalsContact C-N 3.31Å; T172-F174 PolarHBondContact O-N 2.76Å; F174-N178 WeakPolarHBondContact CD2-ND2 3.34Å; F174-N178 HydrophobicContact CE1-CB 4.35Å; F174-N178 WeakPolarHBondContact CE2-ND2 3.31Å; F174-N178 WeakPolarHBondContact CG-ND2 3.37Å; F174-N178 HydrophobicContact CZ-CB 4.48Å; F174-N178 WeakPolarHBondContact CZ-ND2 3.45Å; F174-N178 WeakPolarHBondContact O-CB 3.26Å; F174-N178 PolarHBondContact O-N 2.89Å; F174-N178 PolarHBondContact O-ND2 3.44Å; F174-L198 HydrophobicContact CD1-CD2 4.19Å; F174-L198 HydrophobicContact CD1-CG 4.15Å; F174-L198 HydrophobicContact CE1-CD1 4.46Å; F174-L198 HydrophobicContact CE1-CG 4.02Å; F174-E201 HydrophobicContact CE1-CB 4.35Å; F174-E201 HydrophobicContact CZ-CB 4.19Å; F174-W202 HydrophobicContact CB-CE3 3.52Å; F174-W202 HydrophobicContact CB-CH2 4.42Å; F174-W202 HydrophobicContact CB-CZ3 3.45Å; F174-W202 VanDerWaalsContact CB-CZ3 3.45Å; F174-W202 HydrophobicContact CD1-CB 4.13Å; F174-W202 HydrophobicContact CD1-CD2 4.33Å; F174-W202 AromaticContact CD1-CE3 3.59Å; F174-W202 HydrophobicContact CD1-CE3 3.59Å; F174-W202 HydrophobicContact CD1-CZ3 4.37Å; F174-W202 AromaticContact CD2-CE3 3.67Å; F174-W202 HydrophobicContact CD2-CE3 3.67Å; F174-W202 AromaticContact CD2-CZ3 3.83Å; F174-W202 HydrophobicContact CD2-CZ3 3.83Å; F174-W202 HydrophobicContact CE1-CB 4.02Å; F174-W202 HydrophobicContact CE1-CE3 4.19Å; F174-W202 HydrophobicContact CE2-CE3 4.26Å; F174-W202 HydrophobicContact CG-CD2 4.39Å; F174-W202 AromaticContact CG-CE3 3.3Å; F174-W202 HydrophobicContact CG-CE3 3.3Å; F174-W202 AromaticContact CG-CZ3 3.64Å; F174-W202 HydrophobicContact CG-CZ3 3.64Å
175E91.9Very high89.7Confident42 Ų4280.1 Ų80.120%0.19640%0.401CS..Hα-helixtrans-61.8-47.6173.9-172.7173.3-168.100110.1F171 T172 A177 N178 M179 K195 L198F171-E175 WeakPolarHBondContact O-CB 3.25Å; F171-E175 PolarHBondContact O-N 3.33Å; T172-E175 PolarHBondContact O-N 3.01Å; E175-A177 PolarHBondContact O-N 3.47Å; E175-N178 PolarHBondContact O-N 3.12Å; E175-M179 HydrophobicContact CB-CG 4.44Å; E175-M179 HydrophobicContact CG-CG 3.47Å; E175-M179 VanDerWaalsContact CG-CG 3.47Å; E175-M179 HydrophobicContact CG-SD 4.37Å; E175-M179 WeakPolarHBondContact O-CB 3.19Å; E175-M179 WeakPolarHBondContact O-CG 3.32Å; E175-M179 PolarHBondContact O-N 2.84Å; E175-K195 WeakPolarHBondContact OE1-CE 3.25Å; E175-K195 IonicContact OE1-NZ 3.8Å; E175-K195 PolarHBondContact OE1-NZ 3.34Å; E175-K195 VanDerWaalsContact OE1-NZ 3.16Å; E175-L198 HydrophobicContact CB-CD2 3.99Å; E175-L198 HydrophobicContact CG-CD2 4.11Å
176E92.1Very high90Very high151 Ų15173.1 Ų73.171%0.70638%0.379SS*.Hα-helixtrans-63-40.4180-71.4174.6-177.600113T172 A173 P180T172-E176 WeakPolarHBondContact O-CG 3.47Å; T172-E176 PolarHBondContact O-N 3.4Å; A173-E176 PolarHBondContact O-N 3.3Å; E176-P180 VanDerWaalsContact O-CD 3.27Å; E176-P180 WeakPolarHBondContact O-CD 3.31Å
177A91.8Very high90.3Very high72 Ų7272.7 Ų72.760%0.59539%0.389SS*.Hα-helixtrans-72.2-41.5179.400000113.4A173 E175A173-A177 WeakPolarHBondContact O-CB 3.38Å; A173-A177 PolarHBondContact O-N 2.92Å; A173-A177 VanDerWaalsContact O-N 3.11Å; E175-A177 PolarHBondContact O-N 3.47Å
178N90.4Very high90.6Very high34 Ų3478.3 Ų78.318%0.18242%0.421CS..Hα-helixtrans-97-21-170.7-65.4-80.5000113.7F174 E175 R181 L182 L198F174-N178 WeakPolarHBondContact CD2-ND2 3.34Å; F174-N178 HydrophobicContact CE1-CB 4.35Å; F174-N178 WeakPolarHBondContact CE2-ND2 3.31Å; F174-N178 WeakPolarHBondContact CG-ND2 3.37Å; F174-N178 HydrophobicContact CZ-CB 4.48Å; F174-N178 WeakPolarHBondContact CZ-ND2 3.45Å; F174-N178 WeakPolarHBondContact O-CB 3.26Å; F174-N178 PolarHBondContact O-N 2.89Å; F174-N178 PolarHBondContact O-ND2 3.44Å; E175-N178 PolarHBondContact O-N 3.12Å; N178-R181 WeakPolarHBondContact O-CB 3.3Å; N178-R181 PolarHBondContact O-N 3.46Å; N178-L182 HydrophobicContact CB-CD1 4.17Å; N178-L182 WeakPolarHBondContact O-CD1 3.45Å; N178-L182 PolarHBondContact O-N 2.98Å; N178-L198 HydrophobicContact CB-CD1 3.81Å
179M87.7Confident90.8Very high18 Ų1873.4 Ų73.49%0.08940%0.401CS..Hα-helixtrans-59.6-40.8179.5-81.1-64.4-73.400114.9E175 R181 K183 L191 K195 L198E175-M179 HydrophobicContact CB-CG 4.44Å; E175-M179 HydrophobicContact CG-CG 3.47Å; E175-M179 VanDerWaalsContact CG-CG 3.47Å; E175-M179 HydrophobicContact CG-SD 4.37Å; E175-M179 WeakPolarHBondContact O-CB 3.19Å; E175-M179 WeakPolarHBondContact O-CG 3.32Å; E175-M179 PolarHBondContact O-N 2.84Å; M179-R181 VanDerWaalsContact C-N 3.34Å; M179-K183 VanDerWaalsContact O-CG 3.3Å; M179-K183 WeakPolarHBondContact O-CG 3.3Å; M179-K183 PolarHBondContact O-N 2.84Å; M179-K183 VanDerWaalsContact O-N 3.11Å; M179-L191 HydrophobicContact CE-CD1 3.35Å; M179-K195 HydrophobicContact CE-CG 4.49Å; M179-L198 HydrophobicContact CG-CD1 3.87Å; M179-L198 HydrophobicContact SD-CD1 3.85Å
180P91.3Very high90.9Very high69 Ų6979.8 Ų79.845%0.44841%0.412SS..Hα-helixtrans-63.6-41175.3-22.134.2000111.8E176 K183 M184E176-P180 VanDerWaalsContact O-CD 3.27Å; E176-P180 WeakPolarHBondContact O-CD 3.31Å; P180-K183 PolarHBondContact O-N 2.97Å; P180-M184 WeakPolarHBondContact O-CG 3.49Å; P180-M184 PolarHBondContact O-N 3.22Å; P180-M184 VanDerWaalsContact O-N 3.1Å
181R91.8Very high90.9Very high143 Ų14382.6 Ų82.654%0.5442%0.423SS..Hα-helixtrans-60.2-50.2177-177.2-176.5169164.7-0.6111.5N178 M179 K183 M184 E185N178-R181 WeakPolarHBondContact O-CB 3.3Å; N178-R181 PolarHBondContact O-N 3.46Å; M179-R181 VanDerWaalsContact C-N 3.34Å; R181-K183 VanDerWaalsContact C-N 3.29Å; R181-K183 PolarHBondContact O-N 3.49Å; R181-M184 PolarHBondContact O-N 3.48Å; R181-M184 VanDerWaalsContact O-N 3.15Å; R181-E185 HydrophobicContact CG-CG 4.5Å; R181-E185 IonicContact CZ-OE1 2.63Å; R181-E185 IonicContact NE-OE1 3.77Å; R181-E185 PolarHBondContact NE-OE1 2.93Å; R181-E185 IonicContact NH2-OE1 2.65Å; R181-E185 PolarHBondContact NH2-OE1 3.49Å; R181-E185 WeakPolarHBondContact O-CG 3.15Å; R181-E185 PolarHBondContact O-N 3.35Å
182L90.4Very high90.9Very high2 Ų284.5 Ų84.51%0.0144%0.442CS..Hα-helixtrans-64.4-32.4-179.7-90.675000112.9N178 N186 L194 Q197 L198N178-L182 HydrophobicContact CB-CD1 4.17Å; N178-L182 WeakPolarHBondContact O-CD1 3.45Å; N178-L182 PolarHBondContact O-N 2.98Å; L182-N186 WeakPolarHBondContact O-CB 3.41Å; L182-N186 PolarHBondContact O-N 3.32Å; L182-L194 HydrophobicContact CB-CD2 4.35Å; L182-Q197 HydrophobicContact CD2-CB 4.02Å; L182-L198 HydrophobicContact CD2-CB 4.05Å; L182-L198 HydrophobicContact CD2-CD1 4.43Å
183K91Very high91Very high110 Ų11085.6 Ų85.648%0.47844%0.442SS..Hα-helixtrans-69.4-35.3174.5-75.9174.8179.6179.40112.8M179 P180 R181 P187 L194M179-K183 VanDerWaalsContact O-CG 3.3Å; M179-K183 WeakPolarHBondContact O-CG 3.3Å; M179-K183 PolarHBondContact O-N 2.84Å; M179-K183 VanDerWaalsContact O-N 3.11Å; P180-K183 PolarHBondContact O-N 2.97Å; R181-K183 VanDerWaalsContact C-N 3.29Å; R181-K183 PolarHBondContact O-N 3.49Å; K183-P187 WeakPolarHBondContact O-CA 3.43Å; K183-L194 HydrophobicContact CG-CD1 3.78Å
184M90.8Very high91Very high147 Ų14783.2 Ų83.272%0.72442%0.422SS*.Hα-helixtrans-72.9-41.6175.8-69.7-177-65.100111.6P180 R181P180-M184 WeakPolarHBondContact O-CG 3.49Å; P180-M184 PolarHBondContact O-N 3.22Å; P180-M184 VanDerWaalsContact O-N 3.1Å; R181-M184 PolarHBondContact O-N 3.48Å; R181-M184 VanDerWaalsContact O-N 3.15Å
185E90.7Very high90.9Very high100 Ų10086.1 Ų86.147%0.46744%0.435SS..Hα-helixtrans-70.6-34178.6-69.5179.7-176.800112.2R181R181-E185 HydrophobicContact CG-CG 4.5Å; R181-E185 IonicContact CZ-OE1 2.63Å; R181-E185 IonicContact NE-OE1 3.77Å; R181-E185 PolarHBondContact NE-OE1 2.93Å; R181-E185 IonicContact NH2-OE1 2.65Å; R181-E185 PolarHBondContact NH2-OE1 3.49Å; R181-E185 WeakPolarHBondContact O-CG 3.15Å; R181-E185 PolarHBondContact O-N 3.35Å
186N88.2Confident91Very high55 Ų5589.6 Ų89.629%0.29445%0.451SS..  trans-131.371.2-175.6-60.6-76.2000112.4L182 N188 M189 L194L182-N186 WeakPolarHBondContact O-CB 3.41Å; L182-N186 PolarHBondContact O-N 3.32Å; N186-N188 PolarHBondContact O-N 3.22Å; N186-M189 HydrophobicContact CB-CB 4.21Å; N186-M189 HydrophobicContact CB-CG 3.88Å; N186-M189 PolarHBondContact O-N 2.88Å; N186-L194 HydrophobicContact CB-CD2 3.91Å
187P89.3Confident91Very high98 Ų9885.2 Ų85.264%0.63643%0.43SS*.THydrogen-bonded Turntrans-67.1-22.8-176.126-34.7000114K183K183-P187 WeakPolarHBondContact O-CA 3.43Å
188N91.7Very high91.1Very high163 Ų16381.8 Ų81.887%0.87240%0.402SS*.THydrogen-bonded Turntrans-86.9-5.4-177.2-65.7-12000113.9N186N186-N188 PolarHBondContact O-N 3.22Å
189M91.9Very high91.1Very high66 Ų6686.5 Ų86.533%0.32542%0.421SS..SBendtrans-89.2140.2-174.6-71.2-72.7-88.200111.5N186 Q193 L194N186-M189 HydrophobicContact CB-CB 4.21Å; N186-M189 HydrophobicContact CB-CG 3.88Å; N186-M189 PolarHBondContact O-N 2.88Å; M189-Q193 HydrophobicContact CE-CB 3.54Å; M189-Q193 HydrophobicContact CE-CG 4.24Å; M189-Q193 HydrophobicContact SD-CB 4.37Å; M189-Q193 PolarHBondContact SD-OE1 3.11Å; M189-L194 HydrophobicContact CB-CD2 3.69Å; M189-L194 HydrophobicContact CB-CG 3.97Å; M189-L194 HydrophobicContact CG-CD2 4.5Å
190R92.5Very high91.4Very high195 Ų19591.9 Ų91.974%0.73644%0.444SS*.  trans-68.8148175.2-168.9173-180176.80.2109.7S192 Q193 L194R190-S192 PolarHBondContact O-N 3.43Å; R190-Q193 HydrophobicContact CB-CG 4.43Å; R190-Q193 WeakPolarHBondContact O-CA 3.41Å; R190-Q193 WeakPolarHBondContact O-CB 3.4Å; R190-Q193 PolarHBondContact O-N 2.87Å; R190-L194 PolarHBondContact O-N 3.33Å; R190-L194 VanDerWaalsContact O-N 3.09Å
191L88.7Confident91.4Very high86 Ų8692.5 Ų92.545%0.4544%0.44SS..Hα-helixtrans-50.1-36.5179.1-171.567.2000113.7M179 Q193 L194 K195M179-L191 HydrophobicContact CE-CD1 3.35Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 2.88Å; L191-L194 PolarHBondContact O-N 2.93Å; L191-K195 WeakPolarHBondContact O-CB 3.41Å; L191-K195 WeakPolarHBondContact O-CG 3.33Å; L191-K195 PolarHBondContact O-N 2.82Å
192S91.9Very high91.4Very high84 Ų8486.4 Ų86.459%0.58742%0.418SS*.Hα-helixtrans-64.6-34.9176.5-173.40000113.1R190 Q196R190-S192 PolarHBondContact O-N 3.43Å; S192-Q196 PolarHBondContact O-N 2.85Å; S192-Q196 VanDerWaalsContact O-N 3.15Å
193Q92.4Very high91.4Very high83 Ų8388.9 Ų88.939%0.38844%0.438SS..Hα-helixtrans-76-40.4178.8-61.5165-32.600110.3M189 R190 L191 K195 Q196 Q197M189-Q193 HydrophobicContact CE-CB 3.54Å; M189-Q193 HydrophobicContact CE-CG 4.24Å; M189-Q193 HydrophobicContact SD-CB 4.37Å; M189-Q193 PolarHBondContact SD-OE1 3.11Å; R190-Q193 HydrophobicContact CB-CG 4.43Å; R190-Q193 WeakPolarHBondContact O-CA 3.41Å; R190-Q193 WeakPolarHBondContact O-CB 3.4Å; R190-Q193 PolarHBondContact O-N 2.87Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 2.88Å; Q193-K195 VanDerWaalsContact C-N 3.35Å; Q193-K195 PolarHBondContact O-N 3.32Å; Q193-Q196 WeakPolarHBondContact O-CB 3.36Å; Q193-Q196 PolarHBondContact O-N 2.83Å; Q193-Q196 VanDerWaalsContact O-N 3.09Å; Q193-Q197 PolarHBondContact O-N 3.18Å
194L92.2Very high91.3Very high7 Ų792.4 Ų92.44%0.03745%0.454CS..Hα-helixtrans-59.9-43.9172.9-64.5178.4000111.5L182 K183 N186 M189 R190 L191 Q196 Q197 L198L182-L194 HydrophobicContact CB-CD2 4.35Å; K183-L194 HydrophobicContact CG-CD1 3.78Å; N186-L194 HydrophobicContact CB-CD2 3.91Å; M189-L194 HydrophobicContact CB-CD2 3.69Å; M189-L194 HydrophobicContact CB-CG 3.97Å; M189-L194 HydrophobicContact CG-CD2 4.5Å; R190-L194 PolarHBondContact O-N 3.33Å; R190-L194 VanDerWaalsContact O-N 3.09Å; L191-L194 PolarHBondContact O-N 2.93Å; L194-Q196 VanDerWaalsContact C-N 3.27Å; L194-Q196 PolarHBondContact O-N 3.18Å; L194-Q197 PolarHBondContact O-N 3.35Å; L194-L198 WeakPolarHBondContact O-CB 3.45Å; L194-L198 PolarHBondContact O-N 3.49Å
195K91.4Very high91.2Very high84 Ų8486.2 Ų86.237%0.36543%0.425SS..Hα-helixtrans-62.9-32.6173.9-74.9-174.4177.7-1500113E175 M179 L191 Q193 K199E175-K195 WeakPolarHBondContact OE1-CE 3.25Å; E175-K195 IonicContact OE1-NZ 3.8Å; E175-K195 PolarHBondContact OE1-NZ 3.34Å; E175-K195 VanDerWaalsContact OE1-NZ 3.16Å; M179-K195 HydrophobicContact CE-CG 4.49Å; L191-K195 WeakPolarHBondContact O-CB 3.41Å; L191-K195 WeakPolarHBondContact O-CG 3.33Å; L191-K195 PolarHBondContact O-N 2.82Å; Q193-K195 VanDerWaalsContact C-N 3.35Å; Q193-K195 PolarHBondContact O-N 3.32Å; K195-K199 WeakPolarHBondContact O-CG 3.49Å; K195-K199 PolarHBondContact O-N 3.42Å
196Q93.4Very high90.9Very high114 Ų11486.1 Ų86.153%0.53343%0.433SS..Hα-helixtrans-71-39.9175.6-169.5-177.71.600111.6S192 Q193 L194 K200S192-Q196 PolarHBondContact O-N 2.85Å; S192-Q196 VanDerWaalsContact O-N 3.15Å; Q193-Q196 WeakPolarHBondContact O-CB 3.36Å; Q193-Q196 PolarHBondContact O-N 2.83Å; Q193-Q196 VanDerWaalsContact O-N 3.09Å; L194-Q196 VanDerWaalsContact C-N 3.27Å; L194-Q196 PolarHBondContact O-N 3.18Å; Q196-K200 WeakPolarHBondContact O-CG 3.36Å; Q196-K200 PolarHBondContact O-N 2.82Å
197Q91.4Very high90.7Very high60 Ų6089.2 Ų89.228%0.2845%0.445SS..Hα-helixtrans-63.9-47172.7-73.8175.1-30.600111L182 Q193 L194 K199 K200 E201L182-Q197 HydrophobicContact CD2-CB 4.02Å; Q193-Q197 PolarHBondContact O-N 3.18Å; L194-Q197 PolarHBondContact O-N 3.35Å; Q197-K199 VanDerWaalsContact C-N 3.32Å; Q197-K199 PolarHBondContact O-N 3Å; Q197-K200 WeakPolarHBondContact O-CA 3.43Å; Q197-K200 WeakPolarHBondContact O-CB 3.42Å; Q197-K200 PolarHBondContact O-N 3.31Å; Q197-E201 PolarHBondContact O-N 2.95Å
198L93.5Very high90.7Very high0 Ų085 Ų850%042%0.417CS..Hα-helixtrans-58.2-41.1177.1-169.8123.1000112.5F171 F174 E175 N178 M179 L182 L194 K200 E201 W202F171-L198 HydrophobicContact CE2-CD2 3.87Å; F171-L198 HydrophobicContact CZ-CD2 3.85Å; F174-L198 HydrophobicContact CD1-CD2 4.19Å; F174-L198 HydrophobicContact CD1-CG 4.15Å; F174-L198 HydrophobicContact CE1-CD1 4.46Å; F174-L198 HydrophobicContact CE1-CG 4.02Å; E175-L198 HydrophobicContact CB-CD2 3.99Å; E175-L198 HydrophobicContact CG-CD2 4.11Å; N178-L198 HydrophobicContact CB-CD1 3.81Å; M179-L198 HydrophobicContact CG-CD1 3.87Å; M179-L198 HydrophobicContact SD-CD1 3.85Å; L182-L198 HydrophobicContact CD2-CB 4.05Å; L182-L198 HydrophobicContact CD2-CD1 4.43Å; L194-L198 WeakPolarHBondContact O-CB 3.45Å; L194-L198 PolarHBondContact O-N 3.49Å; L198-K200 VanDerWaalsContact C-N 3.31Å; L198-K200 PolarHBondContact O-N 3.45Å; L198-E201 PolarHBondContact O-N 2.88Å; L198-W202 VanDerWaalsContact O-CB 3.3Å; L198-W202 WeakPolarHBondContact O-CB 3.38Å; L198-W202 PolarHBondContact O-N 2.92Å
199K92.1Very high90.4Very high132 Ų13277.4 Ų77.457%0.57438%0.377SS*.Hα-helixtrans-63.5-34.3173.8-79.9-177.5179.6-173.40113.2F171 K195 Q197 A203F171-K199 HydrophobicContact CE2-CG 3.93Å; F171-K199 HydrophobicContact CZ-CG 3.9Å; K195-K199 WeakPolarHBondContact O-CG 3.49Å; K195-K199 PolarHBondContact O-N 3.42Å; Q197-K199 VanDerWaalsContact C-N 3.32Å; Q197-K199 PolarHBondContact O-N 3Å; K199-A203 PolarHBondContact O-N 2.84Å; K199-A203 VanDerWaalsContact O-N 3.09Å
200K93.4Very high89.9Confident131 Ų13178.3 Ų78.357%0.5738%0.383SS*.Hα-helixtrans-70.4-39176.7-71.5174.1178.2-177.40111.5Q196 Q197 L198Q196-K200 WeakPolarHBondContact O-CG 3.36Å; Q196-K200 PolarHBondContact O-N 2.82Å; Q197-K200 WeakPolarHBondContact O-CA 3.43Å; Q197-K200 WeakPolarHBondContact O-CB 3.42Å; Q197-K200 PolarHBondContact O-N 3.31Å; L198-K200 VanDerWaalsContact C-N 3.31Å; L198-K200 PolarHBondContact O-N 3.45Å
201E91Very high89.5Confident82 Ų8273.2 Ų73.238%0.38337%0.37SS..Hα-helixtrans-67.5-43.8174-70.1174.6-174.800111F174 Q197 L198 A203 K204 S205F174-E201 HydrophobicContact CE1-CB 4.35Å; F174-E201 HydrophobicContact CZ-CB 4.19Å; Q197-E201 PolarHBondContact O-N 2.95Å; L198-E201 PolarHBondContact O-N 2.88Å; E201-A203 VanDerWaalsContact C-N 3.33Å; E201-A203 PolarHBondContact O-N 3.34Å; E201-K204 CarbonylContact O-C 3.55Å; E201-K204 PolarHBondContact O-N 3.45Å; E201-S205 PolarHBondContact O-N 2.98Å
202W91.9Very high89.1Confident16 Ų1672.8 Ų72.86%0.06137%0.366CS..Hα-helixtrans-56.2-44.9175.9176.8-110.5000112.8A170 F171 F174 L198 K204 S205 E207 N208A170-W202 VanDerWaalsContact C-CH2 3.43Å; A170-W202 HydrophobicContact CB-CH2 3.53Å; A170-W202 HydrophobicContact CB-CZ2 3.97Å; F171-W202 HydrophobicContact CB-CZ2 4.19Å; F171-W202 HydrophobicContact CD2-CB 4.22Å; F171-W202 AromaticContact CD2-CD1 3.58Å; F171-W202 AromaticContact CD2-CD2 3.89Å; F171-W202 HydrophobicContact CD2-CD2 3.89Å; F171-W202 AromaticContact CD2-CE2 3.99Å; F171-W202 AromaticContact CD2-CG 3.61Å; F171-W202 HydrophobicContact CD2-CG 3.61Å; F171-W202 AromaticContact CD2-NE1 3.79Å; F171-W202 HydrophobicContact CE2-CB 4.2Å; F171-W202 HydrophobicContact CE2-CG 4.06Å; F174-W202 HydrophobicContact CB-CE3 3.52Å; F174-W202 HydrophobicContact CB-CH2 4.42Å; F174-W202 HydrophobicContact CB-CZ3 3.45Å; F174-W202 VanDerWaalsContact CB-CZ3 3.45Å; F174-W202 HydrophobicContact CD1-CB 4.13Å; F174-W202 HydrophobicContact CD1-CD2 4.33Å; F174-W202 AromaticContact CD1-CE3 3.59Å; F174-W202 HydrophobicContact CD1-CE3 3.59Å; F174-W202 HydrophobicContact CD1-CZ3 4.37Å; F174-W202 AromaticContact CD2-CE3 3.67Å; F174-W202 HydrophobicContact CD2-CE3 3.67Å; F174-W202 AromaticContact CD2-CZ3 3.83Å; F174-W202 HydrophobicContact CD2-CZ3 3.83Å; F174-W202 HydrophobicContact CE1-CB 4.02Å; F174-W202 HydrophobicContact CE1-CE3 4.19Å; F174-W202 HydrophobicContact CE2-CE3 4.26Å; F174-W202 HydrophobicContact CG-CD2 4.39Å; F174-W202 AromaticContact CG-CE3 3.3Å; F174-W202 HydrophobicContact CG-CE3 3.3Å; F174-W202 AromaticContact CG-CZ3 3.64Å; F174-W202 HydrophobicContact CG-CZ3 3.64Å; L198-W202 VanDerWaalsContact O-CB 3.3Å; L198-W202 WeakPolarHBondContact O-CB 3.38Å; L198-W202 PolarHBondContact O-N 2.92Å; W202-K204 PolarHBondContact O-N 3.38Å; W202-K204 VanDerWaalsContact O-N 3.12Å; W202-S205 WeakPolarHBondContact O-CB 3.37Å; W202-S205 PolarHBondContact O-N 3.41Å; W202-S205 VanDerWaalsContact O-N 3.1Å; W202-E207 HydrophobicContact CH2-CB 4.29Å; W202-E207 WeakPolarHBondContact CH2-O 3.44Å; W202-E207 HydrophobicContact CZ3-CB 3.74Å; W202-N208 HydrophobicContact CD2-CB 4.37Å; W202-N208 HydrophobicContact CH2-CB 4.29Å; W202-N208 HydrophobicContact CZ2-CB 4Å
203A89.6Confident88.1Confident54 Ų5480 Ų8045%0.44638%0.381SS..Hα-helixtrans-58.2-28178.800000113.1K199 E201 N211K199-A203 PolarHBondContact O-N 2.84Å; K199-A203 VanDerWaalsContact O-N 3.09Å; E201-A203 VanDerWaalsContact C-N 3.33Å; E201-A203 PolarHBondContact O-N 3.34Å; A203-N211 PolarHBondContact O-ND2 3.03Å
204K89.6Confident87.1Confident184 Ų18481.1 Ų81.180%0.838%0.384SS*.Hα-helixtrans-99.9-9.6179.9-61.9179.4-179.5-177.30113.6E201 W202E201-K204 CarbonylContact O-C 3.55Å; E201-K204 PolarHBondContact O-N 3.45Å; W202-K204 PolarHBondContact O-N 3.38Å; W202-K204 VanDerWaalsContact O-N 3.12Å
205S87.7Confident86Confident16 Ų1681.4 Ų81.411%0.11239%0.387CS..  trans-70.9142.8-174.5-175.70000111.4E201 W202 E207 N208 N211E201-S205 PolarHBondContact O-N 2.98Å; W202-S205 WeakPolarHBondContact O-CB 3.37Å; W202-S205 PolarHBondContact O-N 3.41Å; W202-S205 VanDerWaalsContact O-N 3.1Å; S205-E207 PolarHBondContact O-N 3.1Å; S205-E207 WeakPolarHBondContact OG-CB 3.4Å; S205-E207 PolarHBondContact OG-N 3.03Å; S205-N208 WeakPolarHBondContact O-CB 3.35Å; S205-N208 PolarHBondContact O-N 2.87Å; S205-N211 PolarHBondContact O-ND2 3.33Å
206P85.6Confident85Confident98 Ų9880.8 Ų80.864%0.63639%0.394SS*.THydrogen-bonded Turntrans-66.8-19.6170.329.4-36000112.7N208 Q212P206-N208 PolarHBondContact O-N 3.17Å; P206-Q212 PolarHBondContact O-NE2 3.46Å
207E83.9Confident83.4Confident120 Ų12084 Ų8456%0.56140%0.402SS*.THydrogen-bonded Turntrans-71.4-13.3176.1-64.7-5913400112.9W202 S205 P209W202-E207 HydrophobicContact CH2-CB 4.29Å; W202-E207 WeakPolarHBondContact CH2-O 3.44Å; W202-E207 HydrophobicContact CZ3-CB 3.74Å; S205-E207 PolarHBondContact O-N 3.1Å; S205-E207 WeakPolarHBondContact OG-CB 3.4Å; S205-E207 PolarHBondContact OG-N 3.03Å; E207-P209 WeakPolarHBondContact O-CD 3.32Å
208N88Confident82Confident9 Ų987.8 Ų87.85%0.04842%0.424CS..SBendtrans-74.2115.5175.2-180-0.3000109.9M167 W202 S205 P206 L210 N211M167-N208 WeakPolarHBondContact CE-OD1 3.37Å; M167-N208 PolarHBondContact SD-OD1 2.85Å; W202-N208 HydrophobicContact CD2-CB 4.37Å; W202-N208 HydrophobicContact CH2-CB 4.29Å; W202-N208 HydrophobicContact CZ2-CB 4Å; S205-N208 WeakPolarHBondContact O-CB 3.35Å; S205-N208 PolarHBondContact O-N 2.87Å; P206-N208 PolarHBondContact O-N 3.17Å; N208-L210 PolarHBondContact O-N 3.12Å; N208-L210 WeakPolarHBondContact OD1-CB 3.47Å; N208-L210 PolarHBondContact OD1-N 3.39Å; N208-L210 VanDerWaalsContact OD1-N 3.1Å; N208-N211 HydrophobicContact CB-CB 4.43Å; N208-N211 PolarHBondContact O-N 2.88Å
209P85.7Confident80.5Confident4 Ų491 Ų913%0.02645%0.447CS..THydrogen-bonded Turntrans-56.6-22.7-179.8-26.335.6000114.4P163 R166 M167 A170 E207 N211 Q212P163-P209 HydrophobicContact CB-CB 4.09Å; R166-P209 HydrophobicContact CB-CG 4.11Å; M167-P209 HydrophobicContact SD-CB 4.35Å; M167-P209 HydrophobicContact SD-CG 4.27Å; A170-P209 HydrophobicContact CB-CG 4.03Å; E207-P209 WeakPolarHBondContact O-CD 3.32Å; P209-N211 VanDerWaalsContact C-N 3.34Å; P209-Q212 PolarHBondContact O-N 3.03Å
210L82.1Confident78.5Confident86 Ų8698.1 Ų98.145%0.4548%0.478SS..THydrogen-bonded Turntrans-73.7-22.9175.2-68.4171.5000113.9M167 N208 Q212M167-L210 HydrophobicContact CE-CD1 3.43Å; M167-L210 VanDerWaalsContact CE-CD1 3.43Å; M167-L210 HydrophobicContact CE-CG 3.99Å; M167-L210 HydrophobicContact CG-CG 4.41Å; M167-L210 HydrophobicContact SD-CB 4.43Å; M167-L210 HydrophobicContact SD-CD1 3.76Å; M167-L210 HydrophobicContact SD-CG 3.6Å; M167-L210 VanDerWaalsContact SD-CG 3.6Å; N208-L210 PolarHBondContact O-N 3.12Å; N208-L210 WeakPolarHBondContact OD1-CB 3.47Å; N208-L210 PolarHBondContact OD1-N 3.39Å; N208-L210 VanDerWaalsContact OD1-N 3.1Å; L210-Q212 VanDerWaalsContact C-N 3.34Å
211N83.3Confident77.8Confident88 Ų8896.5 Ų96.547%0.47147%0.473SS..THydrogen-bonded Turntrans-88-8.5176.5-66.1-21.7000111.9A203 S205 N208 P209A203-N211 PolarHBondContact O-ND2 3.03Å; S205-N211 PolarHBondContact O-ND2 3.33Å; N208-N211 HydrophobicContact CB-CB 4.43Å; N208-N211 PolarHBondContact O-N 2.88Å; P209-N211 VanDerWaalsContact C-N 3.34Å
212Q80.1Confident77.1Confident77 Ų7797.3 Ų97.336%0.3648%0.478SS..SBendtrans-87.8160177.3-62.6176.1800110.6P206 P209 L210 F214P206-Q212 PolarHBondContact O-NE2 3.46Å; P209-Q212 PolarHBondContact O-N 3.03Å; L210-Q212 VanDerWaalsContact C-N 3.34Å; Q212-F214 WeakPolarHBondContact O-CD1 3.46Å; Q212-F214 PolarHBondContact O-N 2.83Å
213R72.5Confident76.3Confident236 Ų236101.8 Ų101.889%0.89150%0.501SS*.  trans-69.2120172.4-72179.9166.1-178.5-5.1108.8L159L159-R213 HydrophobicContact CD2-CB 4.41Å; L159-R213 WeakPolarHBondContact CD2-O 3.15Å
214F71.2Confident75.5Confident105 Ų105104.6 Ų104.646%0.46151%0.505SS..  trans-121.3153.1175.957.3-94.7000110.8P163 Q212P163-F214 HydrophobicContact CG-CB 4.27Å; P163-F214 HydrophobicContact CG-CD2 4.42Å; P163-F214 HydrophobicContact CG-CG 4.18Å; Q212-F214 WeakPolarHBondContact O-CD1 3.46Å; Q212-F214 PolarHBondContact O-N 2.83Å
215A69.4Low74.6Confident13 Ų1399.6 Ų99.611%0.10749%0.486CS..  trans-79.6141.7172.600000109.6L159 R161L159-A215 HydrophobicContact CB-CB 3.68Å; L159-A215 HydrophobicContact CD1-CB 4.21Å; R161-A215 HydrophobicContact CG-CB 4.45Å
216S69.8Low73.7Confident71 Ų71105.2 Ų105.250%0.49751%0.511SS..  trans-68.7143172.461.30000109.3N218 S219S216-N218 PolarHBondContact O-N 3.36Å; S216-S219 PolarHBondContact O-N 3.06Å; S216-S219 PolarHBondContact O-OG 3.04Å; S216-S219 VanDerWaalsContact O-OG 3.1Å; S216-S219 PolarHBondContact OG-N 3.13Å
217Y60.6Low72.9Confident183 Ų183105.7 Ų105.772%0.71850%0.502SS*.THydrogen-bonded Turntrans-54.5-22.5-178177.3-99000113.7H162H162-Y217 AromaticContact CE1-CD2 3.88Å; H162-Y217 AromaticContact CE1-CE2 3.88Å
218N61.1Low72Confident138 Ų138104.6 Ų104.674%0.73850%0.498SS*.THydrogen-bonded Turntrans-111.214.8-179.3-77.9-22.6000114.5S216 K220S216-N218 PolarHBondContact O-N 3.36Å; N218-K220 PolarHBondContact O-N 3.43Å
219S63Low70.7Confident69 Ų69112.6 Ų112.648%0.48354%0.535SS..  trans-72.4112.1171.860.20000109.4S216S216-S219 PolarHBondContact O-N 3.06Å; S216-S219 PolarHBondContact O-OG 3.04Å; S216-S219 VanDerWaalsContact O-OG 3.1Å; S216-S219 PolarHBondContact OG-N 3.13Å
220K49.5Very low69.3Low281 Ų281122.5 Ų122.5100%1.22258%0.581SS**  trans-64.30169.4-85.4-175.4175.3-177.50111.2N218N218-K220 PolarHBondContact O-N 3.43Å

Retrieved 220 of 220 residues in 365.7 ms (Link to these results)