A0A087XQC4_POEFO Loading...

Wiskott-Aldrich syndrome protein family member

Downstream effector molecule involved in the transmission of signals from tyrosine kinase receptors and small GTPases to the actin cytoskeleton. Promotes formation of actin filaments. Part of the WAVE complex that regulates lamellipodia formation. The WAVE complex regulates actin filament reorganization via its interaction with the Arp2/3 complex.

AlphaFold DB , UniProt , Accession A0A087XQC4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 491 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
1M43.1Very low72.5Confident213 Ų213111.5 Ų111.5100%1.04955%0.554SS**  0138.60-69.7159.462.600108.7L3M1-L3 PolarHBondContact O-N 3.28Å
2P51.5Low73.8Confident128 Ų128110.2 Ų110.283%0.83155%0.545SS*.  trans-71.9105.3162.330.4-30.5000108.5V4P2-V4 PolarHBondContact O-N 3.04Å
3L57.3Low74.8Confident118 Ų118105.8 Ų105.862%0.61852%0.524SS*.  trans-67.4127.7165.7-69.7170000107.8M1 K5M1-L3 PolarHBondContact O-N 3.28Å; L3-K5 VanDerWaalsContact C-N 3.32Å; L3-K5 PolarHBondContact O-N 3.49Å
4V62Low75.4Confident98 Ų98104.2 Ų104.259%0.59453%0.527SS*.  trans-68.794.2173.1-178.80000107.3P2 R6 N7P2-V4 PolarHBondContact O-N 3.04Å; V4-R6 PolarHBondContact O-N 3.07Å; V4-N7 WeakPolarHBondContact CG1-OD1 3.45Å
5K64.5Low75.9Confident107 Ų107110.5 Ų110.547%0.46554%0.542SS..  trans-60.1-42.9-170.4-70.4-171.8176.9-174.90112.6L3 P120 V121L3-K5 VanDerWaalsContact C-N 3.32Å; L3-K5 PolarHBondContact O-N 3.49Å; K5-P120 WeakPolarHBondContact O-CB 3.32Å; K5-V121 HydrophobicContact CG-CG2 4.47Å
6R80.1Confident76.2Confident48 Ų48107.5 Ų107.518%0.18155%0.548CS..  trans-128.2116.5-169.1-70.9177.2175.710815.3109V4 H47 D50 I51 E54 P120V4-R6 PolarHBondContact O-N 3.07Å; R6-H47 HydrophobicContact CB-CB 4.45Å; R6-H47 WeakPolarHBondContact CB-ND1 3.15Å; R6-H47 WeakPolarHBondContact CG-ND1 3.33Å; R6-D50 IonicContact CZ-OD2 3.33Å; R6-D50 IonicContact NE-OD2 2.65Å; R6-D50 PolarHBondContact NE-OD2 3.15Å; R6-D50 VanDerWaalsContact NH2-CG 3.27Å; R6-D50 IonicContact NH2-OD1 3.91Å; R6-D50 IonicContact NH2-OD2 2.93Å; R6-D50 PolarHBondContact NH2-OD2 3.02Å; R6-I51 VanDerWaalsContact NH1-CG1 3.27Å; R6-E54 IonicContact CZ-OE1 2.84Å; R6-E54 IonicContact CZ-OE2 3.57Å; R6-E54 IonicContact NH1-OE1 2.71Å; R6-E54 IonicContact NH1-OE2 2.75Å; R6-E54 PolarHBondContact NH1-OE2 3.05Å; R6-E54 IonicContact NH2-OE1 2.69Å; R6-E54 PolarHBondContact NH2-OE1 3.24Å; R6-E54 IonicContact NH2-OE2 2.63Å; R6-E54 PolarHBondContact NH2-OE2 2.63Å; R6-P120 HydrophobicContact CG-CB 3.91Å; R6-P120 HydrophobicContact CG-CG 3.63Å; R6-P120 VanDerWaalsContact NE-CG 3.32Å
7N84.3Confident76.6Confident72 Ų72107.2 Ų107.239%0.38557%0.566SS.*  trans-104.6131.1177.9-72.3-50.5000110V4 H47V4-N7 WeakPolarHBondContact CG1-OD1 3.45Å; N7-H47 PolarHBondContact O-NE2 3.05Å
8I88.6Confident77Confident74 Ų74104.4 Ų104.438%0.37955%0.551SS.*  trans-86.4130.6176.2-57.5173.1000109.3Q40 L44I8-Q40 HydrophobicContact CG2-CB 3.98Å; I8-Q40 HydrophobicContact CG2-CG 4.12Å; I8-Q40 WeakPolarHBondContact CG2-O 3.43Å; I8-L44 HydrophobicContact CD1-CB 4.43Å; I8-L44 HydrophobicContact CD1-CD1 3.99Å
9E88.6Confident77.5Confident131 Ų131103.2 Ų103.261%0.61255%0.55SS*.SBendtrans-121143.1-179.1-64.5-167.2170.500112.5R39 Q40 S43E9-R39 CarbonylContact O-C 3.59Å; E9-Q40 WeakPolarHBondContact O-CA 3.25Å; E9-Q40 PolarHBondContact O-N 2.99Å; E9-S43 PolarHBondContact N-OG 3.22Å; E9-S43 VanDerWaalsContact O-CB 3.31Å; E9-S43 WeakPolarHBondContact O-CB 3.2Å
10P90.6Very high77.8Confident30 Ų30106.5 Ų106.520%0.19557%0.567CS.*  cis-75.6139-331.1-36.2000112.5H12 A36 R39 Q40P10-H12 PolarHBondContact O-N 3.26Å; P10-A36 HydrophobicContact CG-CB 3.87Å; P10-R39 HydrophobicContact CG-CB 4.47Å; P10-Q40 HydrophobicContact CG-CG 4.37Å; P10-Q40 VanDerWaalsContact O-CG 3.3Å; P10-Q40 WeakPolarHBondContact O-CG 3.36Å; P10-Q40 PolarHBondContact O-NE2 2.83Å
11R86.6Confident78.2Confident207 Ų207105.6 Ų105.678%0.78158%0.583SS**SBendtrans-67.2-20.7-178.9-173.4171.8179.8178.31.1114.5
12H88.7Confident80.2Confident96 Ų9698.2 Ų98.244%0.44455%0.548SS..  trans-126.2133.2178.4-53.5113.8000109.8P10 R15P10-H12 PolarHBondContact O-N 3.26Å; H12-R15 HydrophobicContact CB-CB 4.03Å; H12-R15 HydrophobicContact CB-CG 4.06Å; H12-R15 PolarHBondContact NE2-NH1 3.34Å; H12-R15 VanDerWaalsContact NE2-NH1 3.2Å
13L87.1Confident81.7Confident54 Ų5496.5 Ų96.528%0.28355%0.554SS.*SBendtrans-88.4-43.9-177-62.7174.8000113.2T33 A36 I37 Q40L13-T33 HydrophobicContact CB-CG2 4.25Å; L13-A36 HydrophobicContact CB-CB 4.38Å; L13-A36 VanDerWaalsContact CD2-C 3.5Å; L13-A36 HydrophobicContact CD2-CB 3.54Å; L13-I37 HydrophobicContact CD1-CD1 4.22Å; L13-I37 HydrophobicContact CD1-CG1 3.68Å; L13-I37 HydrophobicContact CD2-CG1 3.77Å; L13-I37 HydrophobicContact CG-CG1 4.35Å; L13-Q40 HydrophobicContact CD2-CG 4.07Å
14C83.3Confident83.2Confident83 Ų8392.9 Ų92.956%0.56154%0.538SS*.SBendtrans-117.127.1-167.3-400000113.6T33C14-T33 PolarHBondContact SG-OG1 2.87Å
15R82.9Confident84.6Confident198 Ų19894.4 Ų94.475%0.74754%0.539SS*.  trans-105.510.2-174.8-72.5-167.6178.2-179-5115.2H12H12-R15 HydrophobicContact CB-CB 4.03Å; H12-R15 HydrophobicContact CB-CG 4.06Å; H12-R15 PolarHBondContact NE2-NH1 3.34Å; H12-R15 VanDerWaalsContact NE2-NH1 3.2Å
16G79.9Confident85.9Confident63 Ų6395.2 Ų95.265%0.64955%0.548SS*.SBendtrans-76.1145.6172.100000111.4
17A82.4Confident86.4Confident102 Ų10298.6 Ų98.684%0.84357%0.565SS**PPolyproline II helixtrans-66.5147.4162.100000109.6
18L85.4Confident86.6Confident58 Ų5896.4 Ų96.430%0.30456%0.556SS.*PPolyproline II helixtrans-87.2151.3174.1-61.4178.7000110.4I22 E25 C28 V29L18-I22 HydrophobicContact CB-CD1 3.87Å; L18-I22 HydrophobicContact CD1-CD1 4.02Å; L18-I22 HydrophobicContact CG-CD1 4.35Å; L18-E25 HydrophobicContact CD1-CB 3.83Å; L18-E25 HydrophobicContact CD1-CG 4.06Å; L18-C28 HydrophobicContact CD2-CB 4.27Å; L18-V29 HydrophobicContact CD1-CG2 3.83Å; L18-V29 HydrophobicContact CD2-CG2 3.85Å; L18-V29 HydrophobicContact CG-CG2 4.32Å
19P85.2Confident86.8Confident80 Ų8095.4 Ų95.452%0.51955%0.553SS.*PPolyproline II helixtrans-65.8147.6168.5-17.331.2000111.6I22P19-I22 WeakPolarHBondContact O-CG1 3.33Å
20D84.6Confident86.9Confident169 Ų16994 Ų9490%0.90455%0.547SS*.THydrogen-bonded Turntrans-66.9144.9171.2-60.6-61.1000111.7
21G85.1Confident87Confident88 Ų8897.4 Ų97.491%0.90756%0.564SS**THydrogen-bonded Turntrans83.810.7170.600000116.9
22I85.4Confident87.3Confident58 Ų5891.5 Ų91.530%0.29755%0.548SS..  trans-70.7138.2170.947.9179.9000112.4L18 P19 E25 C28L18-I22 HydrophobicContact CB-CD1 3.87Å; L18-I22 HydrophobicContact CD1-CD1 4.02Å; L18-I22 HydrophobicContact CG-CD1 4.35Å; P19-I22 WeakPolarHBondContact O-CG1 3.33Å; I22-E25 HydrophobicContact CD1-CB 4.44Å; I22-E25 HydrophobicContact CD1-CG 4.04Å; I22-E25 HydrophobicContact CG1-CG 4.17Å; I22-C28 HydrophobicContact CD1-CB 3.72Å
23G83.6Confident87.5Confident93 Ų9388.1 Ų88.196%0.95953%0.534SS*.SBendtrans-76.7-21.5-179.300000115.5
24S89.2Confident87.9Confident42 Ų4289.8 Ų89.829%0.29454%0.543SS..  trans-14296.1177.3-1750000110.3L26 E27 C28S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 2.78Å; S24-E27 WeakPolarHBondContact CB-OE1 3.18Å; S24-E27 PolarHBondContact O-N 2.81Å; S24-E27 WeakPolarHBondContact OG-CG 3.44Å; S24-E27 PolarHBondContact OG-OE1 3.38Å; S24-C28 PolarHBondContact O-N 3.08Å; S24-C28 VanDerWaalsContact O-N 3.15Å
25E90.9Very high88.4Confident129 Ų12988.8 Ų88.860%0.60354%0.537SS*.Hα-helixtrans-59.4-39.9177.8-66.7-177-175.600111.9L18 I22 C28 V29L18-E25 HydrophobicContact CD1-CB 3.83Å; L18-E25 HydrophobicContact CD1-CG 4.06Å; I22-E25 HydrophobicContact CD1-CB 4.44Å; I22-E25 HydrophobicContact CD1-CG 4.04Å; I22-E25 HydrophobicContact CG1-CG 4.17Å; E25-C28 WeakPolarHBondContact O-CB 3.34Å; E25-C28 PolarHBondContact O-N 3.22Å; E25-V29 WeakPolarHBondContact O-CG2 3.27Å; E25-V29 PolarHBondContact O-N 3.42Å
26L90.8Very high89Confident125 Ų12579.9 Ų79.965%0.65451%0.506SS*.Hα-helixtrans-65.5-41.6-177.6-177.560.3000112.2S24 C28 V29 M30S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 2.78Å; L26-C28 VanDerWaalsContact C-N 3.35Å; L26-V29 PolarHBondContact O-N 3.34Å; L26-M30 VanDerWaalsContact O-CB 3.28Å; L26-M30 WeakPolarHBondContact O-CB 3.47Å; L26-M30 PolarHBondContact O-N 3.07Å
27E90.7Very high89.8Confident118 Ų11879.8 Ų79.855%0.55149%0.49SS*.Hα-helixtrans-66-38173.4-74.3160.3-120.800111.6S24 M30 N31S24-E27 WeakPolarHBondContact CB-OE1 3.18Å; S24-E27 PolarHBondContact O-N 2.81Å; S24-E27 WeakPolarHBondContact OG-CG 3.44Å; S24-E27 PolarHBondContact OG-OE1 3.38Å; E27-M30 PolarHBondContact O-N 2.73Å; E27-N31 WeakPolarHBondContact O-CB 3.4Å; E27-N31 PolarHBondContact O-N 3.38Å; E27-N31 PolarHBondContact O-ND2 2.86Å
28C89.3Confident90.4Very high27 Ų2780.5 Ų80.518%0.18248%0.478CS..Hα-helixtrans-63.1-47.6175-165.60000111.4L18 I22 S24 E25 L26 M30 N31 N32L18-C28 HydrophobicContact CD2-CB 4.27Å; I22-C28 HydrophobicContact CD1-CB 3.72Å; S24-C28 PolarHBondContact O-N 3.08Å; S24-C28 VanDerWaalsContact O-N 3.15Å; E25-C28 WeakPolarHBondContact O-CB 3.34Å; E25-C28 PolarHBondContact O-N 3.22Å; L26-C28 VanDerWaalsContact C-N 3.35Å; C28-M30 VanDerWaalsContact C-N 3.34Å; C28-M30 PolarHBondContact O-N 3.49Å; C28-N31 PolarHBondContact O-N 3.23Å; C28-N32 VanDerWaalsContact O-CB 3.26Å; C28-N32 WeakPolarHBondContact O-CB 3.39Å; C28-N32 PolarHBondContact O-N 3.27Å; C28-N32 PolarHBondContact O-ND2 2.9Å; C28-N32 VanDerWaalsContact O-ND2 3.1Å
29V92.3Very high90.9Very high53 Ų5385.4 Ų85.432%0.32149%0.493SS..Hα-helixtrans-59.9-43.5174.1173.20000111.2L18 E25 L26 T33L18-V29 HydrophobicContact CD1-CG2 3.83Å; L18-V29 HydrophobicContact CD2-CG2 3.85Å; L18-V29 HydrophobicContact CG-CG2 4.32Å; E25-V29 WeakPolarHBondContact O-CG2 3.27Å; E25-V29 PolarHBondContact O-N 3.42Å; L26-V29 PolarHBondContact O-N 3.34Å; V29-T33 VanDerWaalsContact O-CB 3.23Å; V29-T33 WeakPolarHBondContact O-CB 3.29Å; V29-T33 PolarHBondContact O-N 3.48Å; V29-T33 PolarHBondContact O-OG1 3.16Å
30M91.8Very high91.4Very high101 Ų10184.2 Ų84.250%0.49848%0.48SS..Hα-helixtrans-63.3-49.3-179.8-167.9-171-50.700111.6L26 E27 C28 T33 L34L26-M30 VanDerWaalsContact O-CB 3.28Å; L26-M30 WeakPolarHBondContact O-CB 3.47Å; L26-M30 PolarHBondContact O-N 3.07Å; E27-M30 PolarHBondContact O-N 2.73Å; C28-M30 VanDerWaalsContact C-N 3.34Å; C28-M30 PolarHBondContact O-N 3.49Å; M30-T33 WeakPolarHBondContact O-CB 3.46Å; M30-T33 PolarHBondContact O-N 3.46Å; M30-L34 HydrophobicContact CG-CD1 4.3Å; M30-L34 WeakPolarHBondContact O-CG 3.35Å; M30-L34 PolarHBondContact O-N 3.33Å
31N92Very high92Very high101 Ų10180.9 Ų80.954%0.5446%0.461SS..Hα-helixtrans-65.5-40.3178.8-72.9-40.2000112.2E27 C28 T33 L34 S35E27-N31 WeakPolarHBondContact O-CB 3.4Å; E27-N31 PolarHBondContact O-N 3.38Å; E27-N31 PolarHBondContact O-ND2 2.86Å; C28-N31 PolarHBondContact O-N 3.23Å; N31-T33 VanDerWaalsContact C-N 3.35Å; N31-L34 PolarHBondContact O-N 3.49Å; N31-S35 WeakPolarHBondContact O-CB 3.32Å; N31-S35 PolarHBondContact O-N 3.18Å
32N91.7Very high92.5Very high83 Ų8380.6 Ų80.644%0.44445%0.446SS..Hα-helixtrans-62.8-40.9172.6-75.2-31.7000111.8C28 S35 A36C28-N32 VanDerWaalsContact O-CB 3.26Å; C28-N32 WeakPolarHBondContact O-CB 3.39Å; C28-N32 PolarHBondContact O-N 3.27Å; C28-N32 PolarHBondContact O-ND2 2.9Å; C28-N32 VanDerWaalsContact O-ND2 3.1Å; N32-S35 PolarHBondContact O-N 3.37Å; N32-A36 VanDerWaalsContact O-CB 3.29Å; N32-A36 WeakPolarHBondContact O-CB 3.36Å; N32-A36 PolarHBondContact O-N 3.07Å
33T93.8Very high93Very high25 Ų2578.9 Ų78.915%0.15344%0.439CS..Hα-helixtrans-64-46.3176.7-61.30000111.2L13 C14 V29 M30 N31 A36 I37L13-T33 HydrophobicContact CB-CG2 4.25Å; C14-T33 PolarHBondContact SG-OG1 2.87Å; V29-T33 VanDerWaalsContact O-CB 3.23Å; V29-T33 WeakPolarHBondContact O-CB 3.29Å; V29-T33 PolarHBondContact O-N 3.48Å; V29-T33 PolarHBondContact O-OG1 3.16Å; M30-T33 WeakPolarHBondContact O-CB 3.46Å; M30-T33 PolarHBondContact O-N 3.46Å; N31-T33 VanDerWaalsContact C-N 3.35Å; T33-A36 PolarHBondContact O-N 2.82Å; T33-I37 HydrophobicContact CG2-CD1 4.04Å; T33-I37 VanDerWaalsContact O-CG1 3.3Å; T33-I37 WeakPolarHBondContact O-CG1 3.5Å; T33-I37 PolarHBondContact O-N 3.05Å
34L95.6Very high93.5Very high89 Ų8978.5 Ų78.547%0.46641%0.414SS..Hα-helixtrans-62.7-44.5176.7-71.1170000111.8M30 N31 A36 I37 I38M30-L34 HydrophobicContact CG-CD1 4.3Å; M30-L34 WeakPolarHBondContact O-CG 3.35Å; M30-L34 PolarHBondContact O-N 3.33Å; N31-L34 PolarHBondContact O-N 3.49Å; L34-A36 VanDerWaalsContact C-N 3.33Å; L34-A36 PolarHBondContact O-N 3.2Å; L34-I37 PolarHBondContact O-N 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.16Å; L34-I38 PolarHBondContact O-N 3.22Å
35S94.6Very high93.9Very high63 Ų6380.2 Ų80.244%0.44143%0.426SS..Hα-helixtrans-59.8-42.5173.9-177.30000111.9N31 N32 I38 R39N31-S35 WeakPolarHBondContact O-CB 3.32Å; N31-S35 PolarHBondContact O-N 3.18Å; N32-S35 PolarHBondContact O-N 3.37Å; S35-I38 PolarHBondContact O-N 3.27Å; S35-R39 WeakPolarHBondContact O-CG 3.25Å; S35-R39 PolarHBondContact O-N 3.44Å
36A94.6Very high94Very high11 Ų1178.5 Ų78.59%0.09142%0.417CS..Hα-helixtrans-66-36.5175.600000112.8P10 L13 N32 T33 L34 R39 Q40P10-A36 HydrophobicContact CG-CB 3.87Å; L13-A36 HydrophobicContact CB-CB 4.38Å; L13-A36 VanDerWaalsContact CD2-C 3.5Å; L13-A36 HydrophobicContact CD2-CB 3.54Å; N32-A36 VanDerWaalsContact O-CB 3.29Å; N32-A36 WeakPolarHBondContact O-CB 3.36Å; N32-A36 PolarHBondContact O-N 3.07Å; T33-A36 PolarHBondContact O-N 2.82Å; L34-A36 VanDerWaalsContact C-N 3.33Å; L34-A36 PolarHBondContact O-N 3.2Å; A36-R39 PolarHBondContact O-N 3.22Å; A36-Q40 WeakPolarHBondContact O-CG 3.33Å; A36-Q40 PolarHBondContact O-N 3.11Å
37I96.3Very high94Very high61 Ų6173.7 Ų73.731%0.31339%0.391SS..Hα-helixtrans-64.7-46173.2-70.2165.2000110.7L13 T33 L34 R39 Q40 L41L13-I37 HydrophobicContact CD1-CD1 4.22Å; L13-I37 HydrophobicContact CD1-CG1 3.68Å; L13-I37 HydrophobicContact CD2-CG1 3.77Å; L13-I37 HydrophobicContact CG-CG1 4.35Å; T33-I37 HydrophobicContact CG2-CD1 4.04Å; T33-I37 VanDerWaalsContact O-CG1 3.3Å; T33-I37 WeakPolarHBondContact O-CG1 3.5Å; T33-I37 PolarHBondContact O-N 3.05Å; L34-I37 PolarHBondContact O-N 3.26Å; I37-R39 VanDerWaalsContact C-N 3.26Å; I37-R39 PolarHBondContact O-N 2.87Å; I37-Q40 WeakPolarHBondContact O-CB 3.25Å; I37-Q40 PolarHBondContact O-N 3.18Å; I37-Q40 VanDerWaalsContact O-N 3.13Å; I37-L41 HydrophobicContact CG2-CD1 4.07Å; I37-L41 HydrophobicContact CG2-CG 4.42Å; I37-L41 WeakPolarHBondContact O-CG 3.34Å; I37-L41 PolarHBondContact O-N 3.33Å
38I96.4Very high94.2Very high116 Ų11669.6 Ų69.660%0.59538%0.378SS*.Hα-helixtrans-59.5-39.8177.1-67.8163.5000110.6L34 S35 L41 S42L34-I38 WeakPolarHBondContact O-CG1 3.16Å; L34-I38 PolarHBondContact O-N 3.22Å; S35-I38 PolarHBondContact O-N 3.27Å; I38-L41 PolarHBondContact O-N 3.17Å; I38-S42 PolarHBondContact O-N 2.96Å
39R95.6Very high94.5Very high162 Ų16275.3 Ų75.361%0.61140%0.402SS*.Hα-helixtrans-66.5-41.6174-70.117766.1-179.40.9112.9E9 P10 S35 A36 I37 L41 S42 S43E9-R39 CarbonylContact O-C 3.59Å; P10-R39 HydrophobicContact CG-CB 4.47Å; S35-R39 WeakPolarHBondContact O-CG 3.25Å; S35-R39 PolarHBondContact O-N 3.44Å; A36-R39 PolarHBondContact O-N 3.22Å; I37-R39 VanDerWaalsContact C-N 3.26Å; I37-R39 PolarHBondContact O-N 2.87Å; R39-L41 VanDerWaalsContact C-N 3.33Å; R39-L41 PolarHBondContact O-N 3.34Å; R39-S42 PolarHBondContact O-N 3.41Å; R39-S43 WeakPolarHBondContact O-CB 3.5Å; R39-S43 PolarHBondContact O-N 3.33Å
40Q95.4Very high94.5Very high54 Ų5474.6 Ų74.625%0.25240%0.396SS..Hα-helixtrans-59.7-43.2172.8-77.4-170.5-7.300111.9I8 E9 P10 L13 A36 I37 S43 L44I8-Q40 HydrophobicContact CG2-CB 3.98Å; I8-Q40 HydrophobicContact CG2-CG 4.12Å; I8-Q40 WeakPolarHBondContact CG2-O 3.43Å; E9-Q40 WeakPolarHBondContact O-CA 3.25Å; E9-Q40 PolarHBondContact O-N 2.99Å; P10-Q40 HydrophobicContact CG-CG 4.37Å; P10-Q40 VanDerWaalsContact O-CG 3.3Å; P10-Q40 WeakPolarHBondContact O-CG 3.36Å; P10-Q40 PolarHBondContact O-NE2 2.83Å; L13-Q40 HydrophobicContact CD2-CG 4.07Å; A36-Q40 WeakPolarHBondContact O-CG 3.33Å; A36-Q40 PolarHBondContact O-N 3.11Å; I37-Q40 WeakPolarHBondContact O-CB 3.25Å; I37-Q40 PolarHBondContact O-N 3.18Å; I37-Q40 VanDerWaalsContact O-N 3.13Å; Q40-S43 PolarHBondContact O-N 3.2Å; Q40-L44 WeakPolarHBondContact O-CB 3.49Å; Q40-L44 PolarHBondContact O-N 3.47Å
41L96.7Very high94.5Very high99 Ų9973 Ų7352%0.51839%0.389SS..Hα-helixtrans-64.6-42.3177.6-69.3172.3000111.5I37 I38 R39 S43 L44 S45I37-L41 HydrophobicContact CG2-CD1 4.07Å; I37-L41 HydrophobicContact CG2-CG 4.42Å; I37-L41 WeakPolarHBondContact O-CG 3.34Å; I37-L41 PolarHBondContact O-N 3.33Å; I38-L41 PolarHBondContact O-N 3.17Å; R39-L41 VanDerWaalsContact C-N 3.33Å; R39-L41 PolarHBondContact O-N 3.34Å; L41-S43 PolarHBondContact O-N 3.27Å; L41-L44 PolarHBondContact O-N 3.48Å; L41-S45 PolarHBondContact O-N 3.17Å; L41-S45 PolarHBondContact O-OG 3.16Å
42S96.8Very high94.8Very high82 Ų8275 Ų7557%0.57339%0.393SS*.Hα-helixtrans-60.9-43.2173176.70000112.5I38 R39 S45 K46I38-S42 PolarHBondContact O-N 2.96Å; R39-S42 PolarHBondContact O-N 3.41Å; S42-S45 PolarHBondContact O-N 3.05Å; S42-K46 PolarHBondContact O-N 3.33Å; S42-K46 VanDerWaalsContact O-N 3.08Å
43S94.3Very high95Very high22 Ų2272.3 Ų72.315%0.15439%0.385CS..Hα-helixtrans-62.6-42.5174.7-179.40000111.9E9 R39 Q40 L41 K46 H47E9-S43 PolarHBondContact N-OG 3.22Å; E9-S43 VanDerWaalsContact O-CB 3.31Å; E9-S43 WeakPolarHBondContact O-CB 3.2Å; R39-S43 WeakPolarHBondContact O-CB 3.5Å; R39-S43 PolarHBondContact O-N 3.33Å; Q40-S43 PolarHBondContact O-N 3.2Å; L41-S43 PolarHBondContact O-N 3.27Å; S43-K46 PolarHBondContact O-N 3.06Å; S43-H47 PolarHBondContact O-CD2 2.7Å; S43-H47 PolarHBondContact O-N 3.17Å; S43-H47 VanDerWaalsContact O-N 3.14Å
44L95.1Very high95Very high85 Ų8574.6 Ų74.645%0.44539%0.394SS..Hα-helixtrans-63-41.6174.617760.9000112.1I8 Q40 L41 H47 A48I8-L44 HydrophobicContact CD1-CB 4.43Å; I8-L44 HydrophobicContact CD1-CD1 3.99Å; Q40-L44 WeakPolarHBondContact O-CB 3.49Å; Q40-L44 PolarHBondContact O-N 3.47Å; L41-L44 PolarHBondContact O-N 3.48Å; L44-H47 PolarHBondContact O-N 3.29Å; L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 3.15Å
45S96.8Very high95Very high78 Ų7875.5 Ų75.555%0.54540%0.398SS..Hα-helixtrans-61.1-44175.6-67.10000112.2L41 S42 H47 A48 E49L41-S45 PolarHBondContact O-N 3.17Å; L41-S45 PolarHBondContact O-OG 3.16Å; S42-S45 PolarHBondContact O-N 3.05Å; S45-H47 VanDerWaalsContact C-N 3.32Å; S45-H47 PolarHBondContact O-N 2.86Å; S45-A48 PolarHBondContact O-N 2.94Å; S45-E49 WeakPolarHBondContact O-CB 3.37Å; S45-E49 PolarHBondContact O-N 3.16Å
46K93.1Very high95.2Very high94 Ų9479 Ų7941%0.40941%0.406SS..Hα-helixtrans-57.5-45173.5-171.8-158.4173.9-171.30111.4S42 S43 A48 E49 D50 E123S42-K46 PolarHBondContact O-N 3.33Å; S42-K46 VanDerWaalsContact O-N 3.08Å; S43-K46 PolarHBondContact O-N 3.06Å; K46-A48 VanDerWaalsContact C-N 3.34Å; K46-A48 PolarHBondContact O-N 2.91Å; K46-E49 PolarHBondContact O-N 3.01Å; K46-D50 WeakPolarHBondContact O-CB 3.44Å; K46-D50 PolarHBondContact O-N 3.29Å; K46-E123 IonicContact NZ-OE1 3.14Å; K46-E123 PolarHBondContact NZ-OE1 3.46Å; K46-E123 IonicContact NZ-OE2 2.87Å; K46-E123 PolarHBondContact NZ-OE2 3.4Å
47H91.9Very high95.3Very high23 Ų2382.7 Ų82.711%0.10642%0.424CS..Hα-helixtrans-67.5-32.9179.3-71.1-49.8000113R6 N7 S43 L44 S45 I51R6-H47 HydrophobicContact CB-CB 4.45Å; R6-H47 WeakPolarHBondContact CB-ND1 3.15Å; R6-H47 WeakPolarHBondContact CG-ND1 3.33Å; N7-H47 PolarHBondContact O-NE2 3.05Å; S43-H47 PolarHBondContact O-CD2 2.7Å; S43-H47 PolarHBondContact O-N 3.17Å; S43-H47 VanDerWaalsContact O-N 3.14Å; L44-H47 PolarHBondContact O-N 3.29Å; S45-H47 VanDerWaalsContact C-N 3.32Å; S45-H47 PolarHBondContact O-N 2.86Å; H47-I51 WeakPolarHBondContact O-CD1 3.42Å; H47-I51 WeakPolarHBondContact O-CG1 3.37Å; H47-I51 PolarHBondContact O-N 3.36Å; H47-I51 VanDerWaalsContact O-N 3.14Å
48A94.8Very high95.4Very high33 Ų3385.6 Ų85.627%0.27344%0.437SS..Hα-helixtrans-69.8-44.517400000111.6L44 S45 K46 D50 I51 F52L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 3.15Å; S45-A48 PolarHBondContact O-N 2.94Å; K46-A48 VanDerWaalsContact C-N 3.34Å; K46-A48 PolarHBondContact O-N 2.91Å; A48-D50 PolarHBondContact O-N 2.7Å; A48-I51 PolarHBondContact O-N 3.06Å; A48-F52 HydrophobicContact CB-CD2 4.44Å; A48-F52 HydrophobicContact CB-CE2 4.35Å; A48-F52 WeakPolarHBondContact O-CD2 3.38Å; A48-F52 PolarHBondContact O-N 3.46Å
49E94.8Very high95.5Very high147 Ų14782.9 Ų82.969%0.68743%0.431SS*.Hα-helixtrans-56.3-48.4174.5-176-174.8172.600111.5S45 K46 I51 F52 G53S45-E49 WeakPolarHBondContact O-CB 3.37Å; S45-E49 PolarHBondContact O-N 3.16Å; K46-E49 PolarHBondContact O-N 3.01Å; E49-I51 PolarHBondContact O-N 3.46Å; E49-F52 PolarHBondContact O-N 2.72Å; E49-G53 PolarHBondContact O-N 3.08Å
50D92.1Very high95.6Very high37 Ų3777.9 Ų77.920%0.19842%0.417CS..Hα-helixtrans-62.8-39178.1-175.140.5000112.1R6 K46 A48 E54 P120R6-D50 IonicContact CZ-OD2 3.33Å; R6-D50 IonicContact NE-OD2 2.65Å; R6-D50 PolarHBondContact NE-OD2 3.15Å; R6-D50 VanDerWaalsContact NH2-CG 3.27Å; R6-D50 IonicContact NH2-OD1 3.91Å; R6-D50 IonicContact NH2-OD2 2.93Å; R6-D50 PolarHBondContact NH2-OD2 3.02Å; K46-D50 WeakPolarHBondContact O-CB 3.44Å; K46-D50 PolarHBondContact O-N 3.29Å; A48-D50 PolarHBondContact O-N 2.7Å; D50-E54 WeakPolarHBondContact O-CG 3.27Å; D50-E54 PolarHBondContact O-N 3.31Å; D50-P120 VanDerWaalsContact OD2-CG 3.23Å; D50-P120 WeakPolarHBondContact OD2-CG 3.25Å
51I93.3Very high95.7Very high68 Ų6879.4 Ų79.435%0.34943%0.426SS..Hα-helixtrans-66.2-47.9173.4-71.6164000111.9R6 H47 A48 E49 G53 E54 L55R6-I51 VanDerWaalsContact NH1-CG1 3.27Å; H47-I51 WeakPolarHBondContact O-CD1 3.42Å; H47-I51 WeakPolarHBondContact O-CG1 3.37Å; H47-I51 PolarHBondContact O-N 3.36Å; H47-I51 VanDerWaalsContact O-N 3.14Å; A48-I51 PolarHBondContact O-N 3.06Å; E49-I51 PolarHBondContact O-N 3.46Å; I51-G53 VanDerWaalsContact C-N 3.29Å; I51-G53 PolarHBondContact O-N 3.06Å; I51-E54 PolarHBondContact O-N 2.98Å; I51-L55 HydrophobicContact CG2-CD1 4.05Å; I51-L55 WeakPolarHBondContact O-CG 3.42Å; I51-L55 PolarHBondContact O-N 3.02Å
52F96.9Very high95.8Very high143 Ų14381.2 Ų81.263%0.62743%0.431SS*.Hα-helixtrans-69.5-29.7179.6-70.6-57.8000111.8A48 E49 L55 F56A48-F52 HydrophobicContact CB-CD2 4.44Å; A48-F52 HydrophobicContact CB-CE2 4.35Å; A48-F52 WeakPolarHBondContact O-CD2 3.38Å; A48-F52 PolarHBondContact O-N 3.46Å; E49-F52 PolarHBondContact O-N 2.72Å; F52-L55 HydrophobicContact CD1-CD1 4.42Å; F52-F56 WeakPolarHBondContact O-CB 3.4Å; F52-F56 PolarHBondContact O-N 2.88Å
53G95.9Very high95.9Very high27 Ų2783.6 Ų83.628%0.27843%0.428SS..Hα-helixtrans-66.1-46.2170.200000112.9E49 I51 L55 F56 N57E49-G53 PolarHBondContact O-N 3.08Å; I51-G53 VanDerWaalsContact C-N 3.29Å; I51-G53 PolarHBondContact O-N 3.06Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 3.33Å; G53-F56 PolarHBondContact O-N 2.78Å; G53-N57 WeakPolarHBondContact O-CB 3.48Å; G53-N57 PolarHBondContact O-N 2.78Å; G53-N57 PolarHBondContact O-ND2 2.97Å
54E93.8Very high96.1Very high73 Ų7387.1 Ų87.134%0.34145%0.445SS..Hα-helixtrans-54.6-49.5171.9-78.9175.7159.700110.8R6 D50 I51 E58R6-E54 IonicContact CZ-OE1 2.84Å; R6-E54 IonicContact CZ-OE2 3.57Å; R6-E54 IonicContact NH1-OE1 2.71Å; R6-E54 IonicContact NH1-OE2 2.75Å; R6-E54 PolarHBondContact NH1-OE2 3.05Å; R6-E54 IonicContact NH2-OE1 2.69Å; R6-E54 PolarHBondContact NH2-OE1 3.24Å; R6-E54 IonicContact NH2-OE2 2.63Å; R6-E54 PolarHBondContact NH2-OE2 2.63Å; D50-E54 WeakPolarHBondContact O-CG 3.27Å; D50-E54 PolarHBondContact O-N 3.31Å; I51-E54 PolarHBondContact O-N 2.98Å; E54-E58 PolarHBondContact O-N 3.17Å
55L96.8Very high96.3Very high107 Ų10791.4 Ų91.456%0.5646%0.455SS*.Hα-helixtrans-67.3-42.3-179.3-68.8170.7000113.3I51 F52 G53 E58 A59I51-L55 HydrophobicContact CG2-CD1 4.05Å; I51-L55 WeakPolarHBondContact O-CG 3.42Å; I51-L55 PolarHBondContact O-N 3.02Å; F52-L55 HydrophobicContact CD1-CD1 4.42Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 3.33Å; L55-E58 PolarHBondContact O-N 3.18Å; L55-A59 VanDerWaalsContact O-CB 3.29Å; L55-A59 WeakPolarHBondContact O-CB 3.37Å; L55-A59 PolarHBondContact O-N 2.85Å
56F98.1Very high96.4Very high136 Ų13689.4 Ų89.460%0.59644%0.443SS*.Hα-helixtrans-62.4-43.6178.1172.2-96.2000111.5F52 G53 A59 N60F52-F56 WeakPolarHBondContact O-CB 3.4Å; F52-F56 PolarHBondContact O-N 2.88Å; G53-F56 PolarHBondContact O-N 2.78Å; F56-A59 PolarHBondContact O-N 2.7Å; F56-N60 VanDerWaalsContact O-CB 3.23Å; F56-N60 WeakPolarHBondContact O-CB 3.43Å; F56-N60 PolarHBondContact O-N 3.49Å
57N96.9Very high96.6Very high89 Ų8988.3 Ų88.348%0.47644%0.441SS..Hα-helixtrans-64.2-41.9179.8-78.7-62.2000111.9G53 N61G53-N57 WeakPolarHBondContact O-CB 3.48Å; G53-N57 PolarHBondContact O-N 2.78Å; G53-N57 PolarHBondContact O-ND2 2.97Å; N57-N61 PolarHBondContact O-N 3.13Å; N57-N61 PolarHBondContact O-ND2 3.1Å
58E97.3Very high96.9Very high123 Ų12390.5 Ų90.558%0.57546%0.46SS*.Hα-helixtrans-67.7-44.2176.2-171.158.6-152.400111.5E54 L55 N60 N61 F62E54-E58 PolarHBondContact O-N 3.17Å; L55-E58 PolarHBondContact O-N 3.18Å; E58-N60 VanDerWaalsContact C-N 3.33Å; E58-N60 PolarHBondContact O-N 3.08Å; E58-N61 PolarHBondContact O-N 3.14Å; E58-F62 PolarHBondContact O-N 2.72Å
59A98.4Very high97.1Very high58 Ų5893.3 Ų93.348%0.47947%0.47SS..Hα-helixtrans-61.7-38.2176.600000112.7L55 F56 F62 Y63L55-A59 VanDerWaalsContact O-CB 3.29Å; L55-A59 WeakPolarHBondContact O-CB 3.37Å; L55-A59 PolarHBondContact O-N 2.85Å; F56-A59 PolarHBondContact O-N 2.7Å; A59-F62 PolarHBondContact O-N 2.94Å; A59-Y63 WeakPolarHBondContact O-CB 3.45Å; A59-Y63 PolarHBondContact O-N 2.87Å
60N98.4Very high97.3Very high58 Ų5891 Ų9131%0.3146%0.459SS..Hα-helixtrans-69-40.9175.6-176.453.5000112F56 E58 F62 Y63 L64F56-N60 VanDerWaalsContact O-CB 3.23Å; F56-N60 WeakPolarHBondContact O-CB 3.43Å; F56-N60 PolarHBondContact O-N 3.49Å; E58-N60 VanDerWaalsContact C-N 3.33Å; E58-N60 PolarHBondContact O-N 3.08Å; N60-F62 VanDerWaalsContact C-N 3.33Å; N60-F62 PolarHBondContact O-N 3.47Å; N60-Y63 PolarHBondContact O-N 2.89Å; N60-L64 WeakPolarHBondContact O-CG 3.35Å; N60-L64 PolarHBondContact O-N 2.89Å
61N98.4Very high97.6Very high85 Ų8593.1 Ų93.146%0.45547%0.47SS..Hα-helixtrans-62.6-39.5172.7-83.5-74.1000111.9N57 E58 R65N57-N61 PolarHBondContact O-N 3.13Å; N57-N61 PolarHBondContact O-ND2 3.1Å; E58-N61 PolarHBondContact O-N 3.14Å; N61-R65 WeakPolarHBondContact O-CB 3.35Å; N61-R65 WeakPolarHBondContact O-CD 3.44Å; N61-R65 VanDerWaalsContact O-CG 3.24Å; N61-R65 WeakPolarHBondContact O-CG 3.43Å; N61-R65 PolarHBondContact O-N 3.34Å
62F98.4Very high97.8Very high138 Ų13897.7 Ų97.761%0.60548%0.483SS*.Hα-helixtrans-62.8-47171.6175.6-97000111.9E58 A59 N60 L64 R65 A66E58-F62 PolarHBondContact O-N 2.72Å; A59-F62 PolarHBondContact O-N 2.94Å; N60-F62 VanDerWaalsContact C-N 3.33Å; N60-F62 PolarHBondContact O-N 3.47Å; F62-L64 PolarHBondContact O-N 3.12Å; F62-R65 PolarHBondContact O-N 2.78Å; F62-A66 HydrophobicContact CE1-CB 4.39Å; F62-A66 WeakPolarHBondContact O-CB 3.4Å; F62-A66 PolarHBondContact O-N 3.33Å
63Y98.4Very high97.9Very high132 Ų13294.7 Ų94.752%0.51847%0.472SS..Hα-helixtrans-58.2-47.6178.8171.9-109.4000112.6A59 N60 R65 A66 N67A59-Y63 WeakPolarHBondContact O-CB 3.45Å; A59-Y63 PolarHBondContact O-N 2.87Å; N60-Y63 PolarHBondContact O-N 2.89Å; Y63-R65 VanDerWaalsContact C-N 3.32Å; Y63-R65 PolarHBondContact O-N 3.43Å; Y63-A66 PolarHBondContact O-N 3.16Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.24Å; Y63-N67 WeakPolarHBondContact CE2-OD1 3.38Å; Y63-N67 PolarHBondContact O-N 3.09Å; Y63-N67 PolarHBondContact OH-ND2 2.88Å
64L98.5Very high98Very high96 Ų9697.1 Ų97.150%0.50348%0.479SS..Hα-helixtrans-61-39.8176.6-68.5171.5000112.2N60 F62 S68N60-L64 WeakPolarHBondContact O-CG 3.35Å; N60-L64 PolarHBondContact O-N 2.89Å; F62-L64 PolarHBondContact O-N 3.12Å; L64-S68 WeakPolarHBondContact O-CB 3.4Å; L64-S68 PolarHBondContact O-N 3.44Å; L64-S68 VanDerWaalsContact O-N 3.08Å
65R98.4Very high98.2Very high174 Ų174100 Ų10066%0.65749%0.487SS*.Hα-helixtrans-68.1-39.1174.8-71.9168.262-166.2-0.8112.3N61 F62 Y63 L69N61-R65 WeakPolarHBondContact O-CB 3.35Å; N61-R65 WeakPolarHBondContact O-CD 3.44Å; N61-R65 VanDerWaalsContact O-CG 3.24Å; N61-R65 WeakPolarHBondContact O-CG 3.43Å; N61-R65 PolarHBondContact O-N 3.34Å; F62-R65 PolarHBondContact O-N 2.78Å; Y63-R65 VanDerWaalsContact C-N 3.32Å; Y63-R65 PolarHBondContact O-N 3.43Å; R65-L69 WeakPolarHBondContact O-CB 3.49Å; R65-L69 PolarHBondContact O-N 2.99Å
66A98.7Very high98.3Very high36 Ų3699.8 Ų99.830%0.29849%0.486SS..Hα-helixtrans-65.8-47.2178.100000111.2F62 Y63 L69 Q70F62-A66 HydrophobicContact CE1-CB 4.39Å; F62-A66 WeakPolarHBondContact O-CB 3.4Å; F62-A66 PolarHBondContact O-N 3.33Å; Y63-A66 PolarHBondContact O-N 3.16Å; A66-L69 PolarHBondContact O-N 2.72Å; A66-Q70 PolarHBondContact O-N 2.99Å
67N98.5Very high98.3Very high71 Ų7195.7 Ų95.738%0.3848%0.477SS..Hα-helixtrans-56.3-53.4173.2-73.4-3000110.7Y63 L69 Q70 D71Y63-N67 WeakPolarHBondContact CE1-ND2 3.24Å; Y63-N67 WeakPolarHBondContact CE2-OD1 3.38Å; Y63-N67 PolarHBondContact O-N 3.09Å; Y63-N67 PolarHBondContact OH-ND2 2.88Å; N67-L69 PolarHBondContact O-N 2.79Å; N67-Q70 PolarHBondContact O-N 3.4Å; N67-Q70 VanDerWaalsContact O-N 3.09Å; N67-D71 WeakPolarHBondContact O-CB 3.46Å; N67-D71 PolarHBondContact O-N 3.21Å
68S98.6Very high98.3Very high70 Ų7095.1 Ų95.149%0.4948%0.477SS..Hα-helixtrans-59.7-28179.2-173.10000113.6L64 R72L64-S68 WeakPolarHBondContact O-CB 3.4Å; L64-S68 PolarHBondContact O-N 3.44Å; L64-S68 VanDerWaalsContact O-N 3.08Å; S68-R72 WeakPolarHBondContact O-CD 3.48Å; S68-R72 VanDerWaalsContact O-CG 3.25Å; S68-R72 WeakPolarHBondContact O-CG 3.35Å; S68-R72 PolarHBondContact O-N 2.9Å
69L98.6Very high98.2Very high92 Ų9296 Ų9648%0.48248%0.478SS..Hα-helixtrans-76.8-44.4173.2-178.859.7000112.1R65 A66 N67 D71 R72 I73R65-L69 WeakPolarHBondContact O-CB 3.49Å; R65-L69 PolarHBondContact O-N 2.99Å; A66-L69 PolarHBondContact O-N 2.72Å; N67-L69 PolarHBondContact O-N 2.79Å; L69-D71 VanDerWaalsContact C-N 3.34Å; L69-D71 PolarHBondContact O-N 2.95Å; L69-R72 CarbonylContact O-C 3.59Å; L69-R72 WeakPolarHBondContact O-CA 3.47Å; L69-R72 WeakPolarHBondContact O-CB 3.25Å; L69-R72 PolarHBondContact O-N 3.48Å; L69-R72 VanDerWaalsContact O-N 3.08Å; L69-I73 HydrophobicContact CD1-CD1 4.36Å; L69-I73 HydrophobicContact CD1-CG1 4.46Å; L69-I73 HydrophobicContact CG-CD1 3.96Å; L69-I73 WeakPolarHBondContact O-CG1 3.45Å; L69-I73 PolarHBondContact O-N 3.19Å
70Q98.4Very high98.1Very high98 Ų9897.3 Ų97.346%0.45848%0.48SS..Hα-helixtrans-57.8-48.8175.9-173.161.150.600110.8A66 N67 R72 I73 D74A66-Q70 PolarHBondContact O-N 2.99Å; N67-Q70 PolarHBondContact O-N 3.4Å; N67-Q70 VanDerWaalsContact O-N 3.09Å; Q70-R72 PolarHBondContact O-N 2.81Å; Q70-I73 CarbonylContact O-C 3.59Å; Q70-I73 WeakPolarHBondContact O-CA 3.27Å; Q70-I73 WeakPolarHBondContact O-CB 3.31Å; Q70-I73 PolarHBondContact O-N 2.92Å; Q70-D74 PolarHBondContact NE2-OD1 3.39Å; Q70-D74 VanDerWaalsContact O-CG 3.31Å; Q70-D74 PolarHBondContact O-N 3.2Å
71D98.4Very high97.9Very high81 Ų81100.1 Ų100.143%0.43350%0.5SS..Hα-helixtrans-50.2-35.4174.3-137.551.5000112.7N67 L69 R75N67-D71 WeakPolarHBondContact O-CB 3.46Å; N67-D71 PolarHBondContact O-N 3.21Å; L69-D71 VanDerWaalsContact C-N 3.34Å; L69-D71 PolarHBondContact O-N 2.95Å; D71-R75 WeakPolarHBondContact O-CG 3.2Å; D71-R75 PolarHBondContact O-NE 3.48Å; D71-R75 VanDerWaalsContact O-NE 3.15Å; D71-R75 PolarHBondContact O-NH1 3.48Å; D71-R75 PolarHBondContact O-NH2 2.7Å; D71-R75 IonicContact OD1-NH1 3.65Å; D71-R75 IonicContact OD2-CZ 3.16Å; D71-R75 IonicContact OD2-NH1 2.7Å; D71-R75 PolarHBondContact OD2-NH1 2.74Å; D71-R75 IonicContact OD2-NH2 2.72Å; D71-R75 PolarHBondContact OD2-NH2 3.1Å
72R98.4Very high97.7Very high164 Ų164103 Ų10362%0.61951%0.511SS*.Hα-helixtrans-84.1-32.3176.6-71.5169.761-166.7-2.6113.2S68 L69 Q70 L76S68-R72 WeakPolarHBondContact O-CD 3.48Å; S68-R72 VanDerWaalsContact O-CG 3.25Å; S68-R72 WeakPolarHBondContact O-CG 3.35Å; S68-R72 PolarHBondContact O-N 2.9Å; L69-R72 CarbonylContact O-C 3.59Å; L69-R72 WeakPolarHBondContact O-CA 3.47Å; L69-R72 WeakPolarHBondContact O-CB 3.25Å; L69-R72 PolarHBondContact O-N 3.48Å; L69-R72 VanDerWaalsContact O-N 3.08Å; Q70-R72 PolarHBondContact O-N 2.81Å; R72-L76 WeakPolarHBondContact O-CB 3.23Å; R72-L76 PolarHBondContact O-N 3.45Å
73I98.6Very high97.4Very high80 Ų80101.5 Ų101.541%0.4151%0.508SS..Hα-helixtrans-65.6-46.9174-71.7165.9000109.5L69 Q70 R75 L76 A77L69-I73 HydrophobicContact CD1-CD1 4.36Å; L69-I73 HydrophobicContact CD1-CG1 4.46Å; L69-I73 HydrophobicContact CG-CD1 3.96Å; L69-I73 WeakPolarHBondContact O-CG1 3.45Å; L69-I73 PolarHBondContact O-N 3.19Å; Q70-I73 CarbonylContact O-C 3.59Å; Q70-I73 WeakPolarHBondContact O-CA 3.27Å; Q70-I73 WeakPolarHBondContact O-CB 3.31Å; Q70-I73 PolarHBondContact O-N 2.92Å; I73-R75 PolarHBondContact O-N 2.63Å; I73-L76 CarbonylContact O-C 3.52Å; I73-L76 WeakPolarHBondContact O-CB 3.49Å; I73-L76 PolarHBondContact O-N 3.2Å; I73-A77 WeakPolarHBondContact O-CB 3.37Å; I73-A77 PolarHBondContact O-N 3.19Å
74D98.4Very high96.9Very high79 Ų7999.2 Ų99.242%0.42251%0.505SS..Hα-helixtrans-62.9-45.9-178.5-58.9-28000111.2Q70 L76 A77 V78Q70-D74 PolarHBondContact NE2-OD1 3.39Å; Q70-D74 VanDerWaalsContact O-CG 3.31Å; Q70-D74 PolarHBondContact O-N 3.2Å; D74-L76 VanDerWaalsContact C-N 3.27Å; D74-L76 PolarHBondContact O-N 3.4Å; D74-A77 PolarHBondContact O-N 2.9Å; D74-V78 WeakPolarHBondContact O-CG2 3.09Å; D74-V78 PolarHBondContact O-N 2.91Å
75R97.9Very high96.1Very high132 Ų13299.9 Ų99.950%0.49852%0.518SS..Hα-helixtrans-66.8-23.8174-71.6-172.2-69.6-93.74.6113.9D71 I73 K79D71-R75 WeakPolarHBondContact O-CG 3.2Å; D71-R75 PolarHBondContact O-NE 3.48Å; D71-R75 VanDerWaalsContact O-NE 3.15Å; D71-R75 PolarHBondContact O-NH1 3.48Å; D71-R75 PolarHBondContact O-NH2 2.7Å; D71-R75 IonicContact OD1-NH1 3.65Å; D71-R75 IonicContact OD2-CZ 3.16Å; D71-R75 IonicContact OD2-NH1 2.7Å; D71-R75 PolarHBondContact OD2-NH1 2.74Å; D71-R75 IonicContact OD2-NH2 2.72Å; D71-R75 PolarHBondContact OD2-NH2 3.1Å; I73-R75 PolarHBondContact O-N 2.63Å; R75-K79 WeakPolarHBondContact O-CG 3.36Å
76L98.1Very high95.4Very high104 Ų10497.5 Ų97.555%0.54552%0.523SS..Hα-helixtrans-81.4-40.2173.9179.761.2000111.2R72 I73 D74 V78 K79 V80R72-L76 WeakPolarHBondContact O-CB 3.23Å; R72-L76 PolarHBondContact O-N 3.45Å; I73-L76 CarbonylContact O-C 3.52Å; I73-L76 WeakPolarHBondContact O-CB 3.49Å; I73-L76 PolarHBondContact O-N 3.2Å; D74-L76 VanDerWaalsContact C-N 3.27Å; D74-L76 PolarHBondContact O-N 3.4Å; L76-V78 PolarHBondContact O-N 3.29Å; L76-K79 PolarHBondContact O-N 3.26Å; L76-K79 VanDerWaalsContact O-N 3.11Å; L76-V80 HydrophobicContact CD1-CG2 4.08Å; L76-V80 HydrophobicContact CG-CG2 4.26Å; L76-V80 WeakPolarHBondContact O-CG2 3.44Å; L76-V80 PolarHBondContact O-N 3.3Å
77A97.9Very high94.6Very high50 Ų50100.9 Ų100.941%0.41354%0.54SS..Hα-helixtrans-58.8-47.6177.800000111.2I73 D74 K79 V80 T81I73-A77 WeakPolarHBondContact O-CB 3.37Å; I73-A77 PolarHBondContact O-N 3.19Å; D74-A77 PolarHBondContact O-N 2.9Å; A77-K79 VanDerWaalsContact C-N 3.28Å; A77-K79 PolarHBondContact O-N 2.95Å; A77-V80 PolarHBondContact O-N 3.03Å; A77-T81 PolarHBondContact O-N 2.82Å; A77-T81 PolarHBondContact O-OG1 3.3Å
78V97.2Very high93.7Very high76 Ų76103.6 Ų103.646%0.46155%0.55SS.*Hα-helixtrans-58.8-37.9174.6174.40000112.2D74 L76 T81 Q82D74-V78 WeakPolarHBondContact O-CG2 3.09Å; D74-V78 PolarHBondContact O-N 2.91Å; L76-V78 PolarHBondContact O-N 3.29Å; V78-T81 PolarHBondContact O-OG1 3.06Å; V78-Q82 WeakPolarHBondContact O-CB 3.35Å; V78-Q82 WeakPolarHBondContact O-CG 3.47Å; V78-Q82 PolarHBondContact O-N 3.21Å
79K95.9Very high92.9Very high141 Ų141109 Ų10961%0.61357%0.567SS**Hα-helixtrans-69.4-44.4176.4-74.4-178.3176.8-165.50111.9R75 L76 A77 T81 Q82 L83R75-K79 WeakPolarHBondContact O-CG 3.36Å; L76-K79 PolarHBondContact O-N 3.26Å; L76-K79 VanDerWaalsContact O-N 3.11Å; A77-K79 VanDerWaalsContact C-N 3.28Å; A77-K79 PolarHBondContact O-N 2.95Å; K79-T81 VanDerWaalsContact C-N 3.32Å; K79-T81 PolarHBondContact O-N 3.18Å; K79-Q82 CarbonylContact O-C 3.44Å; K79-Q82 PolarHBondContact O-N 3.02Å; K79-L83 PolarHBondContact O-N 3.4Å
80V96.1Very high92Very high86 Ų86110.8 Ų110.852%0.52158%0.582SS.*Hα-helixtrans-64.3-35.9179.9171.10000111.6L76 A77 Q82 L83L76-V80 HydrophobicContact CD1-CG2 4.08Å; L76-V80 HydrophobicContact CG-CG2 4.26Å; L76-V80 WeakPolarHBondContact O-CG2 3.44Å; L76-V80 PolarHBondContact O-N 3.3Å; A77-V80 PolarHBondContact O-N 3.03Å; V80-Q82 PolarHBondContact O-N 2.8Å; V80-L83 PolarHBondContact O-N 3.26Å
81T94.8Very high91.2Very high118 Ų118108.2 Ų108.272%0.72458%0.575SS**THydrogen-bonded Turntrans-76.7-7.4173.756.70000114.2A77 V78 K79A77-T81 PolarHBondContact O-N 2.82Å; A77-T81 PolarHBondContact O-OG1 3.3Å; V78-T81 PolarHBondContact O-OG1 3.06Å; K79-T81 VanDerWaalsContact C-N 3.32Å; K79-T81 PolarHBondContact O-N 3.18Å
82Q93.2Very high90.2Very high145 Ų145110.9 Ų110.968%0.67859%0.588SS**THydrogen-bonded Turntrans-104.20.3175.2-72.7173.7-3.900113.4V78 K79 V80 D84V78-Q82 WeakPolarHBondContact O-CB 3.35Å; V78-Q82 WeakPolarHBondContact O-CG 3.47Å; V78-Q82 PolarHBondContact O-N 3.21Å; K79-Q82 CarbonylContact O-C 3.44Å; K79-Q82 PolarHBondContact O-N 3.02Å; V80-Q82 PolarHBondContact O-N 2.8Å; Q82-D84 PolarHBondContact O-N 2.84Å
83L91.3Very high89.4Confident106 Ų106110 Ų11056%0.55559%0.591SS**  trans-76.2121.7175.1-70.3174.5000110.7K79 V80K79-L83 PolarHBondContact O-N 3.4Å; V80-L83 PolarHBondContact O-N 3.26Å
84D89.9Confident88.6Confident84 Ų84108.6 Ų108.645%0.44959%0.585SS.*  trans-104.3101.6169.7-171.6-19000110Q82 T86 V87 E88Q82-D84 PolarHBondContact O-N 2.84Å; D84-T86 PolarHBondContact O-N 2.86Å; D84-T86 WeakPolarHBondContact OD1-CA 3.36Å; D84-T86 WeakPolarHBondContact OD1-CB 3.22Å; D84-T86 PolarHBondContact OD1-N 3.42Å; D84-T86 PolarHBondContact OD1-OG1 2.89Å; D84-T86 PolarHBondContact OD2-OG1 3.47Å; D84-V87 HydrophobicContact CB-CB 4.42Å; D84-V87 HydrophobicContact CB-CG2 4.38Å; D84-V87 PolarHBondContact O-N 3.25Å; D84-V87 VanDerWaalsContact O-N 3.07Å; D84-E88 PolarHBondContact O-N 3Å
85S81.5Confident87.6Confident110 Ų110111.1 Ų111.177%0.76960%0.597SS**THydrogen-bonded Turntrans-71.2-2.3179.357.30000114.3
86T82.7Confident86.9Confident125 Ų125111.6 Ų111.677%0.76761%0.609SS**THydrogen-bonded Turntrans-88-13.4169.273.90000112.8D84D84-T86 PolarHBondContact O-N 2.86Å; D84-T86 WeakPolarHBondContact OD1-CA 3.36Å; D84-T86 WeakPolarHBondContact OD1-CB 3.22Å; D84-T86 PolarHBondContact OD1-N 3.42Å; D84-T86 PolarHBondContact OD1-OG1 2.89Å; D84-T86 PolarHBondContact OD2-OG1 3.47Å
87V82.1Confident86.5Confident107 Ų107114 Ų11465%0.64862%0.619SS**THydrogen-bonded Turntrans-115.5-22.4-178.5-176.70000112.5D84 E89D84-V87 HydrophobicContact CB-CB 4.42Å; D84-V87 HydrophobicContact CB-CG2 4.38Å; D84-V87 PolarHBondContact O-N 3.25Å; D84-V87 VanDerWaalsContact O-N 3.07Å; V87-E89 PolarHBondContact O-N 3.32Å
88E79.7Confident85.9Confident128 Ų128119.7 Ų119.760%0.59863%0.63SS**  trans-75.290.7-179.8-168.5172.2-166.200113D84D84-E88 PolarHBondContact O-N 3Å
89E82.7Confident85.7Confident182 Ų182125.9 Ų125.985%0.8565%0.651SS**  trans-70.4130.5175.1-67.1-170.4173.200113.3V87 S91V87-E89 PolarHBondContact O-N 3.32Å; E89-S91 PolarHBondContact O-N 3.17Å; E89-S91 VanDerWaalsContact O-N 3.16Å
90V78.6Confident85.5Confident131 Ų131123.2 Ų123.279%0.79466%0.656SS**  trans-80.297.1178.6-177.20000111L92V90-L92 PolarHBondContact O-N 3.21Å
91S81.3Confident85.4Confident43 Ų43128.1 Ų128.130%0.30167%0.67SS.*  trans-72.4117.4-179.4179.30000113.2E89 Q93 D94E89-S91 PolarHBondContact O-N 3.17Å; E89-S91 VanDerWaalsContact O-N 3.16Å; S91-Q93 PolarHBondContact O-N 3.1Å; S91-Q93 WeakPolarHBondContact OG-CB 3.23Å; S91-Q93 PolarHBondContact OG-N 3.3Å; S91-D94 WeakPolarHBondContact O-CB 3.45Å; S91-D94 PolarHBondContact O-N 2.72Å; S91-D94 VanDerWaalsContact O-N 3.08Å
92L78.4Confident85.4Confident138 Ų138131.3 Ų131.372%0.72367%0.674SS**Hα-helixtrans-63.8-19.9171.7-63.5179000113.2V90 D94 I95V90-L92 PolarHBondContact O-N 3.21Å; L92-D94 PolarHBondContact O-N 2.7Å; L92-I95 HydrophobicContact CD2-CD1 3.84Å; L92-I95 PolarHBondContact O-N 3.29Å
93Q80.9Confident85.6Confident145 Ų145128.3 Ų128.368%0.67867%0.669SS**Hα-helixtrans-63.8-31.9174-58.4-176.6-0.700110.9S91 I95 N96 M97S91-Q93 PolarHBondContact O-N 3.1Å; S91-Q93 WeakPolarHBondContact OG-CB 3.23Å; S91-Q93 PolarHBondContact OG-N 3.3Å; Q93-I95 VanDerWaalsContact C-N 3.3Å; Q93-I95 PolarHBondContact O-N 3Å; Q93-N96 PolarHBondContact O-N 3.03Å; Q93-M97 VanDerWaalsContact O-CB 3.25Å; Q93-M97 WeakPolarHBondContact O-CB 3.3Å; Q93-M97 WeakPolarHBondContact O-CG 3.37Å; Q93-M97 PolarHBondContact O-N 3Å
94D81.3Confident85.8Confident51 Ų51127.7 Ų127.727%0.27367%0.674SS.*Hα-helixtrans-65.4-35.7-177.8-64.3-26.6000112.5S91 L92 N96 R98S91-D94 WeakPolarHBondContact O-CB 3.45Å; S91-D94 PolarHBondContact O-N 2.72Å; S91-D94 VanDerWaalsContact O-N 3.08Å; L92-D94 PolarHBondContact O-N 2.7Å; D94-N96 PolarHBondContact O-N 3.28Å; D94-R98 HydrophobicContact CB-CG 4.16Å; D94-R98 VanDerWaalsContact O-CB 3.27Å; D94-R98 WeakPolarHBondContact O-CB 3.45Å; D94-R98 PolarHBondContact O-N 2.81Å; D94-R98 IonicContact OD1-CZ 3.09Å; D94-R98 IonicContact OD1-NE 2.73Å; D94-R98 PolarHBondContact OD1-NE 2.93Å; D94-R98 IonicContact OD1-NH2 2.81Å; D94-R98 PolarHBondContact OD1-NH2 2.84Å; D94-R98 IonicContact OD2-CZ 3.17Å; D94-R98 IonicContact OD2-NE 3.52Å; D94-R98 IonicContact OD2-NH1 3.84Å; D94-R98 IonicContact OD2-NH2 2.78Å; D94-R98 PolarHBondContact OD2-NH2 3.44Å
95I77.2Confident86.1Confident132 Ų132129.6 Ų129.668%0.67769%0.688SS**Hα-helixtrans-64.9-30.4-179.1-55.6178000111.3L92 Q93L92-I95 HydrophobicContact CD2-CD1 3.84Å; L92-I95 PolarHBondContact O-N 3.29Å; Q93-I95 VanDerWaalsContact C-N 3.3Å; Q93-I95 PolarHBondContact O-N 3Å
96N83.6Confident86.7Confident142 Ų142130 Ų13076%0.75969%0.686SS**Hα-helixtrans-102-32.5-177-158.523.7000113.1Q93 D94Q93-N96 PolarHBondContact O-N 3.03Å; D94-N96 PolarHBondContact O-N 3.28Å
97M89.5Confident87.2Confident154 Ų154129.1 Ų129.176%0.75967%0.673SS**Hα-helixtrans-101.8-25.9-172.7-58.5-58.3-64.500114.3Q93Q93-M97 VanDerWaalsContact O-CB 3.25Å; Q93-M97 WeakPolarHBondContact O-CB 3.3Å; Q93-M97 WeakPolarHBondContact O-CG 3.37Å; Q93-M97 PolarHBondContact O-N 3Å
98R86.8Confident87.7Confident169 Ų169131.3 Ų131.364%0.63868%0.682SS**SBendtrans-88.3141.6174.4-58.8-175.6-165.8-176.99.1110.2D94 A100D94-R98 HydrophobicContact CB-CG 4.16Å; D94-R98 VanDerWaalsContact O-CB 3.27Å; D94-R98 WeakPolarHBondContact O-CB 3.45Å; D94-R98 PolarHBondContact O-N 2.81Å; D94-R98 IonicContact OD1-CZ 3.09Å; D94-R98 IonicContact OD1-NE 2.73Å; D94-R98 PolarHBondContact OD1-NE 2.93Å; D94-R98 IonicContact OD1-NH2 2.81Å; D94-R98 PolarHBondContact OD1-NH2 2.84Å; D94-R98 IonicContact OD2-CZ 3.17Å; D94-R98 IonicContact OD2-NE 3.52Å; D94-R98 IonicContact OD2-NH1 3.84Å; D94-R98 IonicContact OD2-NH2 2.78Å; D94-R98 PolarHBondContact OD2-NH2 3.44Å; R98-A100 PolarHBondContact O-N 2.79Å
99K92.4Very high88.3Confident206 Ų206131.8 Ų131.890%0.89668%0.684SS**PPolyproline II helixtrans-70.2129.9167.9-66.4176.2-177.5173.80108.7
100A91.1Very high88.6Confident86 Ų86130.8 Ų130.871%0.71168%0.679SS**PPolyproline II helixtrans-55.6147175.500000112R98R98-A100 PolarHBondContact O-N 2.79Å
101F94.3Very high89.2Confident189 Ų189129.7 Ų129.783%0.82967%0.672SS**PPolyproline II helixtrans-56142.7176171.5-99000111.5
102K96.1Very high89.5Confident184 Ų184134.3 Ų134.380%0.870%0.698SS**  trans-130.3129.4172.4-62.8-171.3179-172.50109.5
103S96Very high90.1Very high83 Ų83129.5 Ų129.558%0.5868%0.677SS**  trans-69.7165.3165.647.50000110.8
104S95.8Very high90.5Very high93 Ų93131.9 Ų131.965%0.6569%0.685SS**  trans-66.3136169.3-168.90000110.5T106S104-T106 WeakPolarHBondContact OG-CG2 3.17Å; S104-T106 PolarHBondContact OG-N 2.92Å; S104-T106 PolarHBondContact OG-OG1 3.27Å
105T95.5Very high90.9Very high123 Ų123134.8 Ų134.876%0.75571%0.709SS**  trans-119.425.3172.564.80000111.4
106T94.4Very high91.6Very high118 Ų118131.2 Ų131.272%0.72470%0.696SS**  trans-59.1134.5172.445.40000110.8S104S104-T106 WeakPolarHBondContact OG-CG2 3.17Å; S104-T106 PolarHBondContact OG-N 2.92Å; S104-T106 PolarHBondContact OG-OG1 3.27Å
107Q93.8Very high91.9Very high107 Ų107127 Ų12750%0.568%0.675SS.*  trans-133.5129.6178.5-71.5178.2-20.900109.3N464Q107-N464 VanDerWaalsContact CD-ND2 3.34Å; Q107-N464 PolarHBondContact NE2-ND2 3.43Å; Q107-N464 VanDerWaalsContact NE2-ND2 3.18Å; Q107-N464 PolarHBondContact OE1-ND2 3.1Å
108D92.4Very high91.8Very high153 Ų153121.6 Ų121.682%0.81865%0.651SS**  trans-75.3128-179.8-58.6-33.6000110.3V111D108-V111 HydrophobicContact CB-CG1 4.38Å
109Q92.1Very high91.9Very high138 Ų138117.9 Ų117.965%0.64564%0.644SS**  trans-135.7162.4-177.4-60.8-17516.400109.5V111Q109-V111 PolarHBondContact O-N 3.47Å
110Q89.9Confident91.7Very high162 Ų162108.3 Ų108.376%0.75760%0.603SS**  trans54.536.3-176.7-53.7-173.42.500113.6V112 S113Q110-V112 CarbonylContact O-C 3.56Å; Q110-V112 PolarHBondContact O-N 2.89Å; Q110-S113 VanDerWaalsContact O-CB 3.3Å; Q110-S113 WeakPolarHBondContact O-CB 3.29Å; Q110-S113 PolarHBondContact O-OG 3.32Å; Q110-S113 VanDerWaalsContact O-OG 3.05Å
111V89.4Confident91.5Very high107 Ų107105.9 Ų105.965%0.64858%0.579SS**  trans-58.5-19.5-176.7-60.20000114.3D108 Q109 S116D108-V111 HydrophobicContact CB-CG1 4.38Å; Q109-V111 PolarHBondContact O-N 3.47Å; V111-S116 WeakPolarHBondContact O-CB 3.29Å; V111-S116 PolarHBondContact O-OG 3.25Å
112V89.3Confident91.3Very high140 Ų140102.2 Ų102.285%0.84856%0.563SS**SBendtrans-107.196.9165.5-175.60000108.3Q110Q110-V112 CarbonylContact O-C 3.56Å; Q110-V112 PolarHBondContact O-N 2.89Å
113S90.4Very high90.9Very high38 Ų3897.6 Ų97.627%0.26654%0.544SS..SBendtrans-142.7166.6-179.553.50000110.1Q110 S115 S116 V117Q110-S113 VanDerWaalsContact O-CB 3.3Å; Q110-S113 WeakPolarHBondContact O-CB 3.29Å; Q110-S113 PolarHBondContact O-OG 3.32Å; Q110-S113 VanDerWaalsContact O-OG 3.05Å; S113-S115 PolarHBondContact O-N 3.07Å; S113-S115 PolarHBondContact OG-OG 3.05Å; S113-S116 PolarHBondContact N-OG 3.19Å; S113-S116 PolarHBondContact O-N 3.02Å; S113-S116 PolarHBondContact O-OG 3.11Å; S113-V117 PolarHBondContact O-N 2.99Å
114K89.6Confident90.6Very high195 Ų19597.8 Ų97.885%0.84854%0.537SS*.THydrogen-bonded Turntrans-59.9-22-176.3-68.9-175.5178.8179.60113.7
115S90.1Very high90.3Very high112 Ų112101 Ų10178%0.78354%0.536SS*.THydrogen-bonded Turntrans-85.1-22.4175.540.40000114.1S113S113-S115 PolarHBondContact O-N 3.07Å; S113-S115 PolarHBondContact OG-OG 3.05Å
116S90.8Very high90.2Very high56 Ų5699.8 Ų99.839%0.39253%0.525SS..SBendtrans-94.95.9177.167.20000114.3V111 S113 P118V111-S116 WeakPolarHBondContact O-CB 3.29Å; V111-S116 PolarHBondContact O-OG 3.25Å; S113-S116 PolarHBondContact N-OG 3.19Å; S113-S116 PolarHBondContact O-N 3.02Å; S113-S116 PolarHBondContact O-OG 3.11Å; S116-P118 WeakPolarHBondContact O-CD 3.48Å
117V89.4Confident90Very high55 Ų55101.4 Ų101.433%0.33353%0.529SS..SBendtrans-69.8119.9174.1-178.50000109.9S113 V121 K122S113-V117 PolarHBondContact O-N 2.99Å; V117-V121 HydrophobicContact CG1-CB 3.86Å; V117-V121 HydrophobicContact CG1-CG1 3.84Å; V117-K122 HydrophobicContact CG1-CB 4.17Å
118P88.7Confident89.9Confident39 Ų3999.5 Ų99.525%0.25353%0.527SS..  trans-61.8148.7178.2-23.134.4000112.7S116 V121 K122S116-P118 WeakPolarHBondContact O-CD 3.48Å; P118-V121 HydrophobicContact CB-CG2 4.39Å; P118-V121 HydrophobicContact CG-CG2 4.44Å; P118-V121 PolarHBondContact O-N 2.76Å; P118-K122 PolarHBondContact O-N 2.78Å
119N88.2Confident90Very high91 Ų91100.2 Ų100.249%0.48753%0.531SS..Hα-helixtrans-49.6-46.3-177-69.8-30.4000113.9V121 K122 E123N119-V121 PolarHBondContact O-N 2.98Å; N119-K122 CarbonylContact O-C 3.43Å; N119-K122 WeakPolarHBondContact O-CB 3.32Å; N119-K122 PolarHBondContact O-N 3.29Å; N119-K122 VanDerWaalsContact O-N 3.15Å; N119-E123 PolarHBondContact O-N 3.04Å
120P87.4Confident90.2Very high5 Ų5101.8 Ų101.83%0.03254%0.536CS..Hα-helixtrans-63-36.9177.8-24.734.3000114.5K5 R6 D50 K122 E123 M124K5-P120 WeakPolarHBondContact O-CB 3.32Å; R6-P120 HydrophobicContact CG-CB 3.91Å; R6-P120 HydrophobicContact CG-CG 3.63Å; R6-P120 VanDerWaalsContact NE-CG 3.32Å; D50-P120 VanDerWaalsContact OD2-CG 3.23Å; D50-P120 WeakPolarHBondContact OD2-CG 3.25Å; P120-K122 VanDerWaalsContact C-N 3.29Å; P120-K122 PolarHBondContact O-N 3.46Å; P120-E123 PolarHBondContact O-N 3.46Å; P120-M124 WeakPolarHBondContact O-CG 3.48Å; P120-M124 PolarHBondContact O-N 2.82Å
121V88.3Confident90.4Very high36 Ų3696.6 Ų96.622%0.21852%0.516CS..Hα-helixtrans-69.7-33.9178-177.60000109.9K5 V117 P118 N119 Y125K5-V121 HydrophobicContact CG-CG2 4.47Å; V117-V121 HydrophobicContact CG1-CB 3.86Å; V117-V121 HydrophobicContact CG1-CG1 3.84Å; P118-V121 HydrophobicContact CB-CG2 4.39Å; P118-V121 HydrophobicContact CG-CG2 4.44Å; P118-V121 PolarHBondContact O-N 2.76Å; N119-V121 PolarHBondContact O-N 2.98Å; V121-Y125 VanDerWaalsContact O-CB 3.31Å; V121-Y125 WeakPolarHBondContact O-CB 3.38Å; V121-Y125 PolarHBondContact O-N 2.96Å
122K89.4Confident90.7Very high111 Ų11194.3 Ų94.348%0.48350%0.503SS..Hα-helixtrans-68.7-38.4172.7-171.8-179.1178.5-176.60112.1V117 P118 N119 P120 Y125 N126V117-K122 HydrophobicContact CG1-CB 4.17Å; P118-K122 PolarHBondContact O-N 2.78Å; N119-K122 CarbonylContact O-C 3.43Å; N119-K122 WeakPolarHBondContact O-CB 3.32Å; N119-K122 PolarHBondContact O-N 3.29Å; N119-K122 VanDerWaalsContact O-N 3.15Å; P120-K122 VanDerWaalsContact C-N 3.29Å; P120-K122 PolarHBondContact O-N 3.46Å; K122-Y125 PolarHBondContact O-N 3.27Å; K122-N126 WeakPolarHBondContact O-CB 3.43Å; K122-N126 PolarHBondContact O-N 3.17Å; K122-N126 PolarHBondContact O-ND2 2.84Å
123E88.8Confident91Very high87 Ų8792.2 Ų92.241%0.40749%0.493SS..Hα-helixtrans-61.1-50.1171-70.2-171159.800111.2K46 N119 P120 Y125 N126 L127K46-E123 IonicContact NZ-OE1 3.14Å; K46-E123 PolarHBondContact NZ-OE1 3.46Å; K46-E123 IonicContact NZ-OE2 2.87Å; K46-E123 PolarHBondContact NZ-OE2 3.4Å; N119-E123 PolarHBondContact O-N 3.04Å; P120-E123 PolarHBondContact O-N 3.46Å; E123-Y125 VanDerWaalsContact C-N 3.33Å; E123-Y125 PolarHBondContact O-N 2.83Å; E123-N126 PolarHBondContact O-N 3.08Å; E123-L127 WeakPolarHBondContact O-CG 3.46Å; E123-L127 PolarHBondContact O-N 2.79Å; E123-L127 VanDerWaalsContact O-N 3.14Å
124M88.3Confident91.2Very high87 Ų8792.8 Ų92.843%0.42949%0.492SS..Hα-helixtrans-59.8-40.3176.1-69.6-179.267.100112.8P120 L127 S128P120-M124 WeakPolarHBondContact O-CG 3.48Å; P120-M124 PolarHBondContact O-N 2.82Å; M124-L127 PolarHBondContact O-N 3.06Å; M124-S128 PolarHBondContact O-N 3.23Å; M124-S128 PolarHBondContact O-OG 3.01Å
125Y90.6Very high91.5Very high160 Ų16086.8 Ų86.863%0.62747%0.472SS*.Hα-helixtrans-64.5-39.4176.1-179.9-100.2000112.3V121 K122 E123 L127 S128V121-Y125 VanDerWaalsContact O-CB 3.31Å; V121-Y125 WeakPolarHBondContact O-CB 3.38Å; V121-Y125 PolarHBondContact O-N 2.96Å; K122-Y125 PolarHBondContact O-N 3.27Å; E123-Y125 VanDerWaalsContact C-N 3.33Å; E123-Y125 PolarHBondContact O-N 2.83Å; Y125-L127 VanDerWaalsContact C-N 3.29Å; Y125-L127 PolarHBondContact O-N 3.14Å; Y125-S128 WeakPolarHBondContact O-CB 3.49Å; Y125-S128 PolarHBondContact O-N 3.22Å
126N92.1Very high91.8Very high98 Ų9886.9 Ų86.952%0.52446%0.463SS..Hα-helixtrans-69-26.3178-70.5-21.4000113.4K122 E123K122-N126 WeakPolarHBondContact O-CB 3.43Å; K122-N126 PolarHBondContact O-N 3.17Å; K122-N126 PolarHBondContact O-ND2 2.84Å; E123-N126 PolarHBondContact O-N 3.08Å
127L90.3Very high92Very high153 Ų15388.6 Ų88.680%0.80147%0.467SS*.THydrogen-bonded Turntrans-84.4-8.7173.6-67.7171.5000113.5E123 M124 Y125E123-L127 WeakPolarHBondContact O-CG 3.46Å; E123-L127 PolarHBondContact O-N 2.79Å; E123-L127 VanDerWaalsContact O-N 3.14Å; M124-L127 PolarHBondContact O-N 3.06Å; Y125-L127 VanDerWaalsContact C-N 3.29Å; Y125-L127 PolarHBondContact O-N 3.14Å
128S92.4Very high92.2Very high67 Ų6787.6 Ų87.647%0.46946%0.461SS..SBendtrans-82.2154.2179.5-59.70000111.7M124 Y125 K130M124-S128 PolarHBondContact O-N 3.23Å; M124-S128 PolarHBondContact O-OG 3.01Å; Y125-S128 WeakPolarHBondContact O-CB 3.49Å; Y125-S128 PolarHBondContact O-N 3.22Å; S128-K130 PolarHBondContact O-N 3.15Å
129D95.6Very high92.6Very high168 Ų16890.9 Ų90.990%0.89848%0.482SS*.PPolyproline II helixtrans-58130.1176.6-69-50.2000111.7
130K94.6Very high92.9Very high171 Ų17195.7 Ų95.774%0.74350%0.495SS*.PPolyproline II helixtrans-83.6146.8179.5-67.9171.8-174.9169.30109.7S128S128-K130 PolarHBondContact O-N 3.15Å
131P95.1Very high93.3Very high53 Ų5399 Ų9934%0.34451%0.506SS..PPolyproline II helixtrans-60153.6173.828.4-36.1000110.4L148 Y151P131-L148 HydrophobicContact CB-CD1 4.02Å; P131-L148 HydrophobicContact CG-CD1 4.2Å; P131-Y151 HydrophobicContact CB-CD1 3.95Å; P131-Y151 HydrophobicContact CB-CE1 3.7Å
132P95.7Very high93.7Very high59 Ų59105 Ų10538%0.38354%0.538SS..PPolyproline II helixtrans-53.1144.9173.4-24.434.1000111L134 Y151P132-L134 HydrophobicContact CB-CD2 4.31Å; P132-L134 HydrophobicContact CB-CG 4.22Å; P132-L134 PolarHBondContact O-N 2.99Å; P132-Y151 HydrophobicContact CG-CE2 4.39Å
133P94.9Very high93.9Very high96 Ų96102.7 Ų102.762%0.62353%0.53SS*.  trans-76.947.8-170.732.8-37.8000113.1T135 I136P133-T135 PolarHBondContact O-N 3.04Å; P133-I136 VanDerWaalsContact O-CG1 3.32Å; P133-I136 WeakPolarHBondContact O-CG1 3.48Å; P133-I136 WeakPolarHBondContact O-CG2 3.42Å; P133-I136 PolarHBondContact O-N 2.76Å; P133-I136 VanDerWaalsContact O-N 3.14Å
134L95.8Very high94Very high50 Ų50106.7 Ų106.726%0.26255%0.549SS..G310 helixtrans-58.3-20.9-174.2-60.1179.1000113.5P132 I136 L137 A147 Y151P132-L134 HydrophobicContact CB-CD2 4.31Å; P132-L134 HydrophobicContact CB-CG 4.22Å; P132-L134 PolarHBondContact O-N 2.99Å; L134-I136 PolarHBondContact O-N 3.24Å; L134-L137 HydrophobicContact CD2-CD1 4.14Å; L134-L137 WeakPolarHBondContact O-CA 3.49Å; L134-L137 VanDerWaalsContact O-CB 3.29Å; L134-L137 WeakPolarHBondContact O-CB 3.47Å; L134-L137 PolarHBondContact O-N 3.47Å; L134-A147 HydrophobicContact CB-CB 4.37Å; L134-A147 VanDerWaalsContact O-CB 3.25Å; L134-A147 WeakPolarHBondContact O-CB 3.4Å; L134-Y151 HydrophobicContact CD1-CD2 4.42Å; L134-Y151 HydrophobicContact CD1-CG 4.11Å
135T94.6Very high94.3Very high68 Ų68108.3 Ų108.342%0.41755%0.554SS.*G310 helixtrans-54-25.4174.7-44.50000113.1P133 L137 T138P133-T135 PolarHBondContact O-N 3.04Å; T135-L137 PolarHBondContact O-N 3.2Å; T135-T138 WeakPolarHBondContact O-CB 3.4Å; T135-T138 PolarHBondContact O-N 2.95Å; T135-T138 PolarHBondContact O-OG1 3.47Å
136I96.5Very high94.5Very high115 Ų115104.6 Ų104.659%0.5954%0.542SS*.G310 helixtrans-64.4-21172.572.8-171.1000113.5P133 L134 P139P133-I136 VanDerWaalsContact O-CG1 3.32Å; P133-I136 WeakPolarHBondContact O-CG1 3.48Å; P133-I136 WeakPolarHBondContact O-CG2 3.42Å; P133-I136 PolarHBondContact O-N 2.76Å; P133-I136 VanDerWaalsContact O-N 3.14Å; L134-I136 PolarHBondContact O-N 3.24Å; I136-P139 WeakPolarHBondContact O-CD 3.42Å
137L95.1Very high94.6Very high91 Ų91100.3 Ų100.348%0.47652%0.52SS..G310 helixtrans-89.7-16.2178.6-57.8173.6000112.5L134 T135 P139 Y140 A147L134-L137 HydrophobicContact CD2-CD1 4.14Å; L134-L137 WeakPolarHBondContact O-CA 3.49Å; L134-L137 VanDerWaalsContact O-CB 3.29Å; L134-L137 WeakPolarHBondContact O-CB 3.47Å; L134-L137 PolarHBondContact O-N 3.47Å; T135-L137 PolarHBondContact O-N 3.2Å; L137-P139 VanDerWaalsContact C-CD 3.41Å; L137-P139 VanDerWaalsContact C-N 3.34Å; L137-Y140 PolarHBondContact O-N 2.84Å; L137-A147 HydrophobicContact CB-CB 4.17Å
138T94.7Very high94.9Very high35 Ų3594.6 Ų94.622%0.21549%0.49CS..G310 helixtrans-52.1-41179.2-580000113.9T135 Y140 R141 A147T135-T138 WeakPolarHBondContact O-CB 3.4Å; T135-T138 PolarHBondContact O-N 2.95Å; T135-T138 PolarHBondContact O-OG1 3.47Å; T138-Y140 PolarHBondContact O-N 3.33Å; T138-R141 PolarHBondContact O-N 3.4Å; T138-A147 WeakPolarHBondContact OG1-CB 3.15Å; T138-A147 PolarHBondContact OG1-N 3.31Å
139P96.3Very high95.1Very high107 Ų10795.2 Ų95.270%0.69548%0.484SS*.G310 helixtrans-65.3-16.2178.3-22.335.3000114.8I136 L137I136-P139 WeakPolarHBondContact O-CD 3.42Å; L137-P139 VanDerWaalsContact C-CD 3.41Å; L137-P139 VanDerWaalsContact C-N 3.34Å
140Y95.1Very high95Very high192 Ų19293 Ų9375%0.75347%0.467SS*.G310 helixtrans-102.221.8-177.8-53.5-87.2000112.2L137 T138L137-Y140 PolarHBondContact O-N 2.84Å; T138-Y140 PolarHBondContact O-N 3.33Å
141R95.4Very high95.1Very high74 Ų7491.8 Ų91.828%0.27946%0.459SS..  trans-110.8123.3-178.8-68.2-171.161.785.98112.9T138 D143 H144 K145 F150T138-R141 PolarHBondContact O-N 3.4Å; R141-D143 IonicContact CZ-OD1 2.68Å; R141-D143 IonicContact CZ-OD2 3.17Å; R141-D143 IonicContact NE-OD1 3.69Å; R141-D143 PolarHBondContact NE-OD1 3.01Å; R141-D143 IonicContact NE-OD2 3.92Å; R141-D143 IonicContact NH2-OD1 2.69Å; R141-D143 PolarHBondContact NH2-OD1 3.3Å; R141-D143 VanDerWaalsContact NH2-OD1 3.08Å; R141-D143 IonicContact NH2-OD2 2.72Å; R141-D143 PolarHBondContact NH2-OD2 3.18Å; R141-D143 PolarHBondContact O-N 3.38Å; R141-H144 PolarHBondContact O-N 3.03Å; R141-H144 PolarHBondContact O-ND1 2.9Å; R141-K145 WeakPolarHBondContact CD-O 3.49Å; R141-F150 VanDerWaalsContact CZ-CE2 3.44Å
142D96.4Very high95.2Very high164 Ų16492.5 Ų92.588%0.87746%0.462SS*.THydrogen-bonded Turntrans-64.1-25.7177.2-47.7-54.7000113.3H144D142-H144 VanDerWaalsContact C-N 3.34Å
143D94.6Very high95.2Very high61 Ų6191.7 Ų91.733%0.32646%0.455SS..THydrogen-bonded Turntrans-87.3-1.8-179.876.5-12.4000114.4R141 K145 F150R141-D143 IonicContact CZ-OD1 2.68Å; R141-D143 IonicContact CZ-OD2 3.17Å; R141-D143 IonicContact NE-OD1 3.69Å; R141-D143 PolarHBondContact NE-OD1 3.01Å; R141-D143 IonicContact NE-OD2 3.92Å; R141-D143 IonicContact NH2-OD1 2.69Å; R141-D143 PolarHBondContact NH2-OD1 3.3Å; R141-D143 VanDerWaalsContact NH2-OD1 3.08Å; R141-D143 IonicContact NH2-OD2 2.72Å; R141-D143 PolarHBondContact NH2-OD2 3.18Å; R141-D143 PolarHBondContact O-N 3.38Å; D143-K145 HydrophobicContact CB-CG 4.47Å; D143-K145 PolarHBondContact O-N 2.99Å; D143-K145 PolarHBondContact OD1-N 3.45Å; D143-K145 VanDerWaalsContact OD1-N 3.1Å; D143-K145 WeakPolarHBondContact OD2-CD 3.49Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.31Å
144H90.2Very high95.1Very high171 Ų17192 Ų9279%0.79246%0.457SS*.  trans52.718.4-177.2-55.2-29.4000115.3R141 D142R141-H144 PolarHBondContact O-N 3.03Å; R141-H144 PolarHBondContact O-ND1 2.9Å; D142-H144 VanDerWaalsContact C-N 3.34Å
145K93.7Very high95.1Very high122 Ų12291.6 Ų91.653%0.5346%0.458SS..  trans-86.2147.5176.6-64.8179.5-165161.50110.6R141 D143 A147 F150R141-K145 WeakPolarHBondContact CD-O 3.49Å; D143-K145 HydrophobicContact CB-CG 4.47Å; D143-K145 PolarHBondContact O-N 2.99Å; D143-K145 PolarHBondContact OD1-N 3.45Å; D143-K145 VanDerWaalsContact OD1-N 3.1Å; D143-K145 WeakPolarHBondContact OD2-CD 3.49Å; K145-A147 PolarHBondContact O-N 3.09Å; K145-A147 VanDerWaalsContact O-N 3.17Å; K145-F150 HydrophobicContact CB-CE2 3.81Å; K145-F150 HydrophobicContact CB-CZ 4.14Å; K145-F150 HydrophobicContact CD-CZ 4.08Å
146E94.8Very high95.2Very high81 Ų8194.8 Ų94.838%0.37946%0.464SS..  trans-60.7118.9175.5-175.8179.7-16500110.7L148 K149E146-L148 HydrophobicContact CG-CB 4.12Å; E146-L148 PolarHBondContact O-N 3.17Å; E146-L148 VanDerWaalsContact O-N 3.15Å; E146-K149 HydrophobicContact CB-CD 4.23Å; E146-K149 HydrophobicContact CB-CG 4.27Å; E146-K149 WeakPolarHBondContact O-CB 3.33Å; E146-K149 PolarHBondContact O-N 3.17Å
147A95.5Very high95.1Very high8 Ų897.1 Ų97.17%0.06647%0.469CS..G310 helixtrans-59.5-29.9-176.700000112.9L134 L137 T138 K145 K149 F150L134-A147 HydrophobicContact CB-CB 4.37Å; L134-A147 VanDerWaalsContact O-CB 3.25Å; L134-A147 WeakPolarHBondContact O-CB 3.4Å; L137-A147 HydrophobicContact CB-CB 4.17Å; T138-A147 WeakPolarHBondContact OG1-CB 3.15Å; T138-A147 PolarHBondContact OG1-N 3.31Å; K145-A147 PolarHBondContact O-N 3.09Å; K145-A147 VanDerWaalsContact O-N 3.17Å; A147-K149 VanDerWaalsContact C-N 3.34Å; A147-K149 PolarHBondContact O-N 3.15Å; A147-F150 PolarHBondContact O-N 3.43Å
148L96Very high95.1Very high34 Ų3498.1 Ų98.118%0.17847%0.47CS..G310 helixtrans-66.5-30.9177.3-175.760.1000113.1P131 E146 F150 Y151 T152P131-L148 HydrophobicContact CB-CD1 4.02Å; P131-L148 HydrophobicContact CG-CD1 4.2Å; E146-L148 HydrophobicContact CG-CB 4.12Å; E146-L148 PolarHBondContact O-N 3.17Å; E146-L148 VanDerWaalsContact O-N 3.15Å; L148-F150 PolarHBondContact O-N 3.1Å; L148-Y151 HydrophobicContact CD1-CD1 4.47Å; L148-Y151 PolarHBondContact O-N 2.63Å; L148-T152 HydrophobicContact CD1-CG2 4.11Å; L148-T152 HydrophobicContact CG-CG2 4.25Å; L148-T152 PolarHBondContact O-N 3.28Å
149K95.9Very high95.2Very high79 Ų7999.7 Ų99.734%0.34348%0.477SS..G310 helixtrans-63.5-23.9178.2-78.5177.7162.8-83.20113.2E146 A147 Y151 T152 D153 S155E146-K149 HydrophobicContact CB-CD 4.23Å; E146-K149 HydrophobicContact CB-CG 4.27Å; E146-K149 WeakPolarHBondContact O-CB 3.33Å; E146-K149 PolarHBondContact O-N 3.17Å; A147-K149 VanDerWaalsContact C-N 3.34Å; A147-K149 PolarHBondContact O-N 3.15Å; K149-Y151 PolarHBondContact O-N 2.68Å; K149-T152 WeakPolarHBondContact CA-O 3.44Å; K149-D153 HydrophobicContact CB-CB 4.09Å; K149-D153 WeakPolarHBondContact CD-OD2 3.43Å; K149-D153 HydrophobicContact CG-CB 4.08Å; K149-D153 IonicContact NZ-OD1 2.81Å; K149-D153 PolarHBondContact NZ-OD1 2.95Å; K149-D153 IonicContact NZ-OD2 3.83Å; K149-D153 PolarHBondContact NZ-OD2 2.92Å; K149-S155 PolarHBondContact NZ-OG 2.98Å; K149-S155 VanDerWaalsContact NZ-OG 3.1Å
150F94.8Very high95.2Very high123 Ų12398.4 Ų98.454%0.53946%0.464SS..G310 helixtrans-73.4-13.4173.3-65.5-92.4000113.5R141 D143 K145 A147 L148R141-F150 VanDerWaalsContact CZ-CE2 3.44Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.31Å; K145-F150 HydrophobicContact CB-CE2 3.81Å; K145-F150 HydrophobicContact CB-CZ 4.14Å; K145-F150 HydrophobicContact CD-CZ 4.08Å; A147-F150 PolarHBondContact O-N 3.43Å; L148-F150 PolarHBondContact O-N 3.1Å
151Y96.4Very high95.3Very high145 Ų14593.8 Ų93.857%0.56945%0.445SS*.THydrogen-bonded Turntrans-106.1-40.4173.9179.3-90.7000111.8P131 P132 L134 L148 K149P131-Y151 HydrophobicContact CB-CD1 3.95Å; P131-Y151 HydrophobicContact CB-CE1 3.7Å; P132-Y151 HydrophobicContact CG-CE2 4.39Å; L134-Y151 HydrophobicContact CD1-CD2 4.42Å; L134-Y151 HydrophobicContact CD1-CG 4.11Å; L148-Y151 HydrophobicContact CD1-CD1 4.47Å; L148-Y151 PolarHBondContact O-N 2.63Å; K149-Y151 PolarHBondContact O-N 2.68Å
152T96.3Very high95.3Very high68 Ų6895 Ų9542%0.41745%0.453SS..  trans-152.3119.8176-171.60000111.1L148 K149L148-T152 HydrophobicContact CD1-CG2 4.11Å; L148-T152 HydrophobicContact CG-CG2 4.25Å; L148-T152 PolarHBondContact O-N 3.28Å; K149-T152 WeakPolarHBondContact CA-O 3.44Å
153D95.8Very high95.4Very high42 Ų4293.6 Ų93.623%0.22544%0.441CS..  trans-124.2103174.5-167.5-8.1000111.8K149 S155 Y156K149-D153 HydrophobicContact CB-CB 4.09Å; K149-D153 WeakPolarHBondContact CD-OD2 3.43Å; K149-D153 HydrophobicContact CG-CB 4.08Å; K149-D153 IonicContact NZ-OD1 2.81Å; K149-D153 PolarHBondContact NZ-OD1 2.95Å; K149-D153 IonicContact NZ-OD2 3.83Å; K149-D153 PolarHBondContact NZ-OD2 2.92Å; D153-S155 VanDerWaalsContact C-N 3.27Å; D153-S155 PolarHBondContact O-N 2.69Å; D153-S155 PolarHBondContact OD1-N 2.91Å; D153-S155 PolarHBondContact OD1-OG 2.82Å; D153-Y156 WeakPolarHBondContact O-CB 3.48Å; D153-Y156 PolarHBondContact O-N 3.44Å
154P93.9Very high95.4Very high103 Ų10396 Ų9667%0.66945%0.448SS*.THydrogen-bonded Turntrans-65.8-19.7175.9-23.935.5000115.3
155S94.5Very high95.6Very high41 Ų4189.4 Ų89.429%0.28742%0.419SS..THydrogen-bonded Turntrans-84.3-21.2179.675.50000113.2K149 D153 F157 F158 D159K149-S155 PolarHBondContact NZ-OG 2.98Å; K149-S155 VanDerWaalsContact NZ-OG 3.1Å; D153-S155 VanDerWaalsContact C-N 3.27Å; D153-S155 PolarHBondContact O-N 2.69Å; D153-S155 PolarHBondContact OD1-N 2.91Å; D153-S155 PolarHBondContact OD1-OG 2.82Å; S155-F157 VanDerWaalsContact C-N 3.29Å; S155-F157 PolarHBondContact O-N 3.37Å; S155-F157 VanDerWaalsContact O-N 3.08Å; S155-F158 WeakPolarHBondContact O-CA 3.46Å; S155-F158 WeakPolarHBondContact O-CB 3.22Å; S155-F158 PolarHBondContact O-N 3.24Å; S155-D159 WeakPolarHBondContact CB-OD2 3.36Å; S155-D159 PolarHBondContact O-N 3.18Å; S155-D159 PolarHBondContact OG-OD2 3.31Å
156Y96.6Very high95.7Very high135 Ų13587 Ų8753%0.52941%0.411SS..Hα-helixtrans-44.5-46.4-176.8177.8-99.7000114.5D153 F158 D159 L160D153-Y156 WeakPolarHBondContact O-CB 3.48Å; D153-Y156 PolarHBondContact O-N 3.44Å; Y156-F158 VanDerWaalsContact C-N 3.35Å; Y156-F158 PolarHBondContact O-N 3.28Å; Y156-D159 PolarHBondContact O-N 3.02Å; Y156-L160 HydrophobicContact CE1-CD2 4.05Å; Y156-L160 VanDerWaalsContact O-CB 3.24Å; Y156-L160 WeakPolarHBondContact O-CB 3.11Å; Y156-L160 PolarHBondContact O-N 2.91Å
157F96.1Very high95.8Very high163 Ų16387.7 Ų87.772%0.71541%0.414SS*.Hα-helixtrans-63.4-38.2179.9-63.6-75.2000113.2S155 W161S155-F157 VanDerWaalsContact C-N 3.29Å; S155-F157 PolarHBondContact O-N 3.37Å; S155-F157 VanDerWaalsContact O-N 3.08Å; F157-W161 VanDerWaalsContact O-CB 3.23Å; F157-W161 WeakPolarHBondContact O-CB 3.38Å; F157-W161 PolarHBondContact O-N 3.39Å
158F95.3Very high95.7Very high112 Ų11290.4 Ų90.449%0.49143%0.428SS..Hα-helixtrans-75.7-41.8177.3176.5-94.7000111.2S155 Y156 W161 K162S155-F158 WeakPolarHBondContact O-CA 3.46Å; S155-F158 WeakPolarHBondContact O-CB 3.22Å; S155-F158 PolarHBondContact O-N 3.24Å; Y156-F158 VanDerWaalsContact C-N 3.35Å; Y156-F158 PolarHBondContact O-N 3.28Å; F158-W161 AromaticContact CD2-CE3 3.98Å; F158-W161 HydrophobicContact CD2-CE3 3.98Å; F158-W161 HydrophobicContact CD2-CZ3 4.02Å; F158-W161 HydrophobicContact CE2-CE3 4.05Å; F158-W161 AromaticContact CE2-CZ3 3.65Å; F158-W161 HydrophobicContact CE2-CZ3 3.65Å; F158-W161 HydrophobicContact CZ-CZ3 4.43Å; F158-W161 PolarHBondContact O-N 2.96Å; F158-K162 HydrophobicContact CE1-CD 4.17Å; F158-K162 WeakPolarHBondContact O-CB 3.49Å; F158-K162 PolarHBondContact O-N 3.29Å
159D96.3Very high95.6Very high68 Ų6889.5 Ų89.536%0.36442%0.423SS..Hα-helixtrans-64.8-45.9-179.2-66.6-43.9000111.4S155 Y156 K162 E163S155-D159 WeakPolarHBondContact CB-OD2 3.36Å; S155-D159 PolarHBondContact O-N 3.18Å; S155-D159 PolarHBondContact OG-OD2 3.31Å; Y156-D159 PolarHBondContact O-N 3.02Å; D159-K162 PolarHBondContact O-N 3.1Å; D159-E163 WeakPolarHBondContact O-CB 3.49Å; D159-E163 PolarHBondContact O-N 3.17Å
160L96.8Very high95.5Very high81 Ų8188.2 Ų88.242%0.42442%0.419SS..Hα-helixtrans-64.8-40.4175.1-179.765.1000112.5Y156 K164Y156-L160 HydrophobicContact CE1-CD2 4.05Å; Y156-L160 VanDerWaalsContact O-CB 3.24Å; Y156-L160 WeakPolarHBondContact O-CB 3.11Å; Y156-L160 PolarHBondContact O-N 2.91Å; L160-K164 WeakPolarHBondContact O-CB 3.26Å; L160-K164 PolarHBondContact O-N 3.02Å
161W96.7Very high95.5Very high94 Ų9485.8 Ų85.836%0.35641%0.411SS..Hα-helixtrans-65.1-44.6175.1168.179.3000111.6F157 F158 K164 M165 V466F157-W161 VanDerWaalsContact O-CB 3.23Å; F157-W161 WeakPolarHBondContact O-CB 3.38Å; F157-W161 PolarHBondContact O-N 3.39Å; F158-W161 AromaticContact CD2-CE3 3.98Å; F158-W161 HydrophobicContact CD2-CE3 3.98Å; F158-W161 HydrophobicContact CD2-CZ3 4.02Å; F158-W161 HydrophobicContact CE2-CE3 4.05Å; F158-W161 AromaticContact CE2-CZ3 3.65Å; F158-W161 HydrophobicContact CE2-CZ3 3.65Å; F158-W161 HydrophobicContact CZ-CZ3 4.43Å; F158-W161 PolarHBondContact O-N 2.96Å; W161-K164 PolarHBondContact O-N 3.18Å; W161-M165 HydrophobicContact CD2-CG 4.1Å; W161-M165 HydrophobicContact CG-CG 4.36Å; W161-M165 HydrophobicContact CZ2-CG 4.07Å; W161-M165 VanDerWaalsContact O-CG 3.31Å; W161-M165 WeakPolarHBondContact O-CG 3.29Å; W161-M165 PolarHBondContact O-N 2.94Å; W161-V466 HydrophobicContact CH2-CB 3.67Å; W161-V466 HydrophobicContact CH2-CG1 4.24Å; W161-V466 HydrophobicContact CH2-CG2 3.82Å; W161-V466 HydrophobicContact CZ3-CB 4.33Å; W161-V466 HydrophobicContact CZ3-CG1 4.44Å; W161-V466 HydrophobicContact CZ3-CG2 4.4Å
162K95.6Very high95.3Very high101 Ų10185.6 Ų85.644%0.43941%0.414SS..Hα-helixtrans-59.1-49.4176.4171.3-170.6167.9-162.90110.8F158 D159 K164 M165 L166F158-K162 HydrophobicContact CE1-CD 4.17Å; F158-K162 WeakPolarHBondContact O-CB 3.49Å; F158-K162 PolarHBondContact O-N 3.29Å; D159-K162 PolarHBondContact O-N 3.1Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 3.44Å; K162-M165 PolarHBondContact O-N 3.22Å; K162-L166 HydrophobicContact CG-CD1 3.95Å; K162-L166 WeakPolarHBondContact O-CD1 3.35Å; K162-L166 PolarHBondContact O-N 3.26Å
163E96.8Very high95Very high133 Ų13384.6 Ų84.662%0.62140%0.402SS*.Hα-helixtrans-53.7-51174.6-179177.8-165.700111D159 M165 L166 Q167D159-E163 WeakPolarHBondContact O-CB 3.49Å; D159-E163 PolarHBondContact O-N 3.17Å; E163-M165 PolarHBondContact O-N 2.93Å; E163-L166 PolarHBondContact O-N 3.47Å; E163-Q167 PolarHBondContact O-N 3.32Å
164K96.1Very high94.9Very high111 Ų11187 Ų8748%0.48341%0.411SS..Hα-helixtrans-60-41.1176.6178.3166.6166.853.60113L160 W161 K162 Q167 D168L160-K164 WeakPolarHBondContact O-CB 3.26Å; L160-K164 PolarHBondContact O-N 3.02Å; W161-K164 PolarHBondContact O-N 3.18Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 3.44Å; K164-Q167 PolarHBondContact O-N 3.13Å; K164-D168 VanDerWaalsContact CE-OD2 3.3Å; K164-D168 WeakPolarHBondContact CE-OD2 3.31Å; K164-D168 IonicContact NZ-OD1 2.67Å; K164-D168 PolarHBondContact NZ-OD1 2.86Å; K164-D168 IonicContact NZ-OD2 3.86Å; K164-D168 PolarHBondContact NZ-OD2 3.31Å; K164-D168 WeakPolarHBondContact O-CB 3.17Å; K164-D168 VanDerWaalsContact O-CG 3.23Å; K164-D168 PolarHBondContact O-N 2.84Å
165M94.3Very high94.9Very high34 Ų3487.4 Ų87.417%0.16740%0.403CS..Hα-helixtrans-68.1-33.2178.7-68.6-61.393.200112.7W161 K162 E163 D168 T169 A467 L470W161-M165 HydrophobicContact CD2-CG 4.1Å; W161-M165 HydrophobicContact CG-CG 4.36Å; W161-M165 HydrophobicContact CZ2-CG 4.07Å; W161-M165 VanDerWaalsContact O-CG 3.31Å; W161-M165 WeakPolarHBondContact O-CG 3.29Å; W161-M165 PolarHBondContact O-N 2.94Å; K162-M165 PolarHBondContact O-N 3.22Å; E163-M165 PolarHBondContact O-N 2.93Å; M165-D168 WeakPolarHBondContact CE-OD2 3.28Å; M165-T169 VanDerWaalsContact O-CB 3.29Å; M165-T169 WeakPolarHBondContact O-CB 3.43Å; M165-T169 PolarHBondContact O-N 3.01Å; M165-T169 VanDerWaalsContact O-N 3.17Å; M165-T169 PolarHBondContact O-OG1 2.94Å; M165-A467 HydrophobicContact CB-CB 4.37Å; M165-A467 HydrophobicContact CG-CB 4.3Å; M165-A467 HydrophobicContact SD-CB 3.85Å; M165-L470 HydrophobicContact CB-CD1 4.43Å
166L95.3Very high94.8Very high71 Ų7191.6 Ų91.637%0.37242%0.416SS..Hα-helixtrans-67-46.5170.3-86.980.4000110.9K162 E163 T169 E170 L470K162-L166 HydrophobicContact CG-CD1 3.95Å; K162-L166 WeakPolarHBondContact O-CD1 3.35Å; K162-L166 PolarHBondContact O-N 3.26Å; E163-L166 PolarHBondContact O-N 3.47Å; L166-T169 WeakPolarHBondContact O-CB 3.42Å; L166-T169 PolarHBondContact O-N 3.06Å; L166-E170 WeakPolarHBondContact O-CB 3.49Å; L166-E170 PolarHBondContact O-N 2.89Å; L166-L470 HydrophobicContact CD1-CD1 3.58Å; L166-L470 HydrophobicContact CD1-CD2 3.96Å; L166-L470 HydrophobicContact CD1-CG 4.41Å; L166-L470 HydrophobicContact CG-CD1 4.42Å; L166-L470 HydrophobicContact CG-CD2 4.41Å
167Q96Very high94.5Very high96 Ų9691 Ų9145%0.44941%0.414SS..Hα-helixtrans-63.2-47.1179.7-174.960.337.600112.4E163 K164 T169 E170 D171E163-Q167 PolarHBondContact O-N 3.32Å; K164-Q167 PolarHBondContact O-N 3.13Å; Q167-T169 PolarHBondContact O-N 2.93Å; Q167-E170 WeakPolarHBondContact O-CB 3.37Å; Q167-E170 PolarHBondContact O-N 3.08Å; Q167-E170 VanDerWaalsContact O-N 3.1Å; Q167-D171 VanDerWaalsContact NE2-CG 3.26Å; Q167-D171 PolarHBondContact NE2-OD1 3.05Å; Q167-D171 PolarHBondContact NE2-OD2 3.06Å; Q167-D171 PolarHBondContact O-N 3.48Å
168D94.6Very high94.3Very high65 Ų6589.3 Ų89.335%0.34841%0.406SS..Hα-helixtrans-60.2-34.4175.8-72.3-4.8000111.3K164 M165 K172K164-D168 VanDerWaalsContact CE-OD2 3.3Å; K164-D168 WeakPolarHBondContact CE-OD2 3.31Å; K164-D168 IonicContact NZ-OD1 2.67Å; K164-D168 PolarHBondContact NZ-OD1 2.86Å; K164-D168 IonicContact NZ-OD2 3.86Å; K164-D168 PolarHBondContact NZ-OD2 3.31Å; K164-D168 WeakPolarHBondContact O-CB 3.17Å; K164-D168 VanDerWaalsContact O-CG 3.23Å; K164-D168 PolarHBondContact O-N 2.84Å; M165-D168 WeakPolarHBondContact CE-OD2 3.28Å; D168-K172 WeakPolarHBondContact O-CB 3.35Å; D168-K172 PolarHBondContact O-N 3.21Å; D168-K172 VanDerWaalsContact O-N 3.13Å
169T94.1Very high93.9Very high14 Ų1487.9 Ų87.99%0.08640%0.401CS..Hα-helixtrans-70.8-38.9175.2-61.90000111.9M165 L166 Q167 R173 I474M165-T169 VanDerWaalsContact O-CB 3.29Å; M165-T169 WeakPolarHBondContact O-CB 3.43Å; M165-T169 PolarHBondContact O-N 3.01Å; M165-T169 VanDerWaalsContact O-N 3.17Å; M165-T169 PolarHBondContact O-OG1 2.94Å; L166-T169 WeakPolarHBondContact O-CB 3.42Å; L166-T169 PolarHBondContact O-N 3.06Å; Q167-T169 PolarHBondContact O-N 2.93Å; T169-R173 PolarHBondContact O-N 3.1Å; T169-I474 HydrophobicContact CG2-CD1 4.19Å
170E93.2Very high93.6Very high52 Ų5291 Ų9124%0.24341%0.411CS..Hα-helixtrans-65.3-51177.3-174.358.3-135.400111.7L166 Q167 K172 R173 K174L166-E170 WeakPolarHBondContact O-CB 3.49Å; L166-E170 PolarHBondContact O-N 2.89Å; Q167-E170 WeakPolarHBondContact O-CB 3.37Å; Q167-E170 PolarHBondContact O-N 3.08Å; Q167-E170 VanDerWaalsContact O-N 3.1Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 3.02Å; E170-R173 WeakPolarHBondContact O-CA 3.41Å; E170-R173 WeakPolarHBondContact O-CB 3.24Å; E170-R173 PolarHBondContact O-N 3.45Å; E170-R173 IonicContact OE1-CZ 3.92Å; E170-R173 IonicContact OE1-NH1 3.87Å; E170-R173 PolarHBondContact OE1-NH1 3.4Å; E170-R173 IonicContact OE2-CZ 3.08Å; E170-R173 IonicContact OE2-NH1 3.77Å; E170-R173 PolarHBondContact OE2-NH1 2.84Å; E170-R173 IonicContact OE2-NH2 2.84Å; E170-R173 PolarHBondContact OE2-NH2 2.69Å; E170-K174 HydrophobicContact CG-CD 4.23Å; E170-K174 VanDerWaalsContact CG-NZ 3.3Å; E170-K174 PolarHBondContact O-N 2.83Å; E170-K174 WeakPolarHBondContact OE1-CE 3.36Å; E170-K174 IonicContact OE1-NZ 2.79Å
171D94.3Very high93Very high72 Ų7293.6 Ų93.639%0.38542%0.421SS..Hα-helixtrans-68.1-35-178.7-68.4-28.3000111.7Q167 R173 K174 E175Q167-D171 VanDerWaalsContact NE2-CG 3.26Å; Q167-D171 PolarHBondContact NE2-OD1 3.05Å; Q167-D171 PolarHBondContact NE2-OD2 3.06Å; Q167-D171 PolarHBondContact O-N 3.48Å; D171-R173 PolarHBondContact O-N 3.34Å; D171-K174 PolarHBondContact O-N 3.23Å; D171-K174 IonicContact OD1-NZ 3.67Å; D171-E175 VanDerWaalsContact O-CB 3.31Å; D171-E175 WeakPolarHBondContact O-CB 3.47Å; D171-E175 PolarHBondContact O-N 3.47Å
172K93.9Very high92.3Very high142 Ų14295.5 Ų95.562%0.61743%0.434SS*.Hα-helixtrans-65-24.1171-169.5171.4-173.9175.10113.1D168 E170 K176D168-K172 WeakPolarHBondContact O-CB 3.35Å; D168-K172 PolarHBondContact O-N 3.21Å; D168-K172 VanDerWaalsContact O-N 3.13Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 3.02Å; K172-K176 WeakPolarHBondContact O-CG 3.39Å; K172-K176 PolarHBondContact O-N 3.47Å
173R89.3Confident91.4Very high46 Ų4698.6 Ų98.617%0.17444%0.443CS..Hα-helixtrans-80.1-45.7172.1-153.3-172.9-38.6105.719111.4T169 E170 D171 E175 K176 R177T169-R173 PolarHBondContact O-N 3.1Å; E170-R173 WeakPolarHBondContact O-CA 3.41Å; E170-R173 WeakPolarHBondContact O-CB 3.24Å; E170-R173 PolarHBondContact O-N 3.45Å; E170-R173 IonicContact OE1-CZ 3.92Å; E170-R173 IonicContact OE1-NH1 3.87Å; E170-R173 PolarHBondContact OE1-NH1 3.4Å; E170-R173 IonicContact OE2-CZ 3.08Å; E170-R173 IonicContact OE2-NH1 3.77Å; E170-R173 PolarHBondContact OE2-NH1 2.84Å; E170-R173 IonicContact OE2-NH2 2.84Å; E170-R173 PolarHBondContact OE2-NH2 2.69Å; D171-R173 PolarHBondContact O-N 3.34Å; R173-E175 PolarHBondContact O-N 2.78Å; R173-K176 PolarHBondContact O-N 2.94Å; R173-R177 PolarHBondContact O-N 2.87Å
174K94.6Very high90.1Very high94 Ų94100.9 Ų100.941%0.40945%0.446SS..Hα-helixtrans-59.2-44.3175.8-71.4167.4178.7159.90111.8E170 D171 K176 R177 K178E170-K174 HydrophobicContact CG-CD 4.23Å; E170-K174 VanDerWaalsContact CG-NZ 3.3Å; E170-K174 PolarHBondContact O-N 2.83Å; E170-K174 WeakPolarHBondContact OE1-CE 3.36Å; E170-K174 IonicContact OE1-NZ 2.79Å; D171-K174 PolarHBondContact O-N 3.23Å; D171-K174 IonicContact OD1-NZ 3.67Å; K174-K176 PolarHBondContact O-N 3.24Å; K174-R177 PolarHBondContact O-N 2.68Å; K174-K178 WeakPolarHBondContact O-CG 3.45Å; K174-K178 PolarHBondContact O-N 2.81Å
175E92.8Very high88.7Confident110 Ų11099.9 Ų99.951%0.51445%0.451SS..Hα-helixtrans-65.7-36.4178-173.357.7-161.600112.3D171 R173 K178 Q179D171-E175 VanDerWaalsContact O-CB 3.31Å; D171-E175 WeakPolarHBondContact O-CB 3.47Å; D171-E175 PolarHBondContact O-N 3.47Å; R173-E175 PolarHBondContact O-N 2.78Å; E175-K178 PolarHBondContact O-N 3.33Å; E175-Q179 WeakPolarHBondContact O-CB 3.3Å; E175-Q179 PolarHBondContact O-N 3.36Å
176K91.9Very high87.2Confident129 Ų129102.9 Ų102.956%0.56147%0.472SS*.Hα-helixtrans-64.3-39.5171.5-80.5-177.7173.4-171.50112.9K172 R173 K174 K180K172-K176 WeakPolarHBondContact O-CG 3.39Å; K172-K176 PolarHBondContact O-N 3.47Å; R173-K176 PolarHBondContact O-N 2.94Å; K174-K176 PolarHBondContact O-N 3.24Å; K176-K180 WeakPolarHBondContact O-CB 3.39Å; K176-K180 PolarHBondContact O-N 2.89Å
177R90.6Very high85.2Confident124 Ų124105 Ų10547%0.46848%0.483SS..Hα-helixtrans-62.3-49.7172.9-77.9-176170.7155.4-2.1110.6R173 K174 Q179 K180 E181 E482R173-R177 PolarHBondContact O-N 2.87Å; K174-R177 PolarHBondContact O-N 2.68Å; R177-Q179 PolarHBondContact O-N 3.48Å; R177-K180 WeakPolarHBondContact O-CB 3.23Å; R177-K180 PolarHBondContact O-N 3.03Å; R177-E181 PolarHBondContact O-N 3.46Å; R177-E482 IonicContact CZ-OE1 3.9Å; R177-E482 IonicContact NE-OE1 3.37Å; R177-E482 IonicContact NH2-OE1 3.03Å; R177-E482 PolarHBondContact NH2-OE1 3.4Å
178K92.6Very high83.3Confident127 Ų127102.6 Ų102.655%0.55248%0.484SS*.Hα-helixtrans-56.9-42.8175.2-70.6176.3-179.9178.10113.4K174 E175 E181 Q182K174-K178 WeakPolarHBondContact O-CG 3.45Å; K174-K178 PolarHBondContact O-N 2.81Å; E175-K178 PolarHBondContact O-N 3.33Å; K178-E181 PolarHBondContact O-N 3.05Å; K178-Q182 WeakPolarHBondContact O-CB 3.35Å; K178-Q182 PolarHBondContact O-N 2.84Å
179Q87.1Confident81.5Confident82 Ų82105.1 Ų105.138%0.38350%0.502SS..Hα-helixtrans-68.8-36.1178.7-159.2-163.9106.300112.1E175 R177 E181 R183E175-Q179 WeakPolarHBondContact O-CB 3.3Å; E175-Q179 PolarHBondContact O-N 3.36Å; R177-Q179 PolarHBondContact O-N 3.48Å; Q179-E181 VanDerWaalsContact C-N 3.34Å; Q179-R183 WeakPolarHBondContact O-CB 3.46Å; Q179-R183 VanDerWaalsContact O-CG 3.22Å; Q179-R183 WeakPolarHBondContact O-CG 2.95Å; Q179-R183 PolarHBondContact O-N 3.22Å
180K88.8Confident79.5Confident133 Ų133110.7 Ų110.758%0.57853%0.53SS*.Hα-helixtrans-61.6-43.2172.9-175.2-175179.7-172.50110.7K176 R177 R184K176-K180 WeakPolarHBondContact O-CB 3.39Å; K176-K180 PolarHBondContact O-N 2.89Å; R177-K180 WeakPolarHBondContact O-CB 3.23Å; R177-K180 PolarHBondContact O-N 3.03Å; K180-R184 WeakPolarHBondContact O-CG 3.34Å; K180-R184 PolarHBondContact O-N 2.75Å
181E85.6Confident77.3Confident135 Ų135117 Ų11763%0.63156%0.56SS**Hα-helixtrans-67-49.7177.4-175.4178.8-16700112.7R177 K178 Q179 R183 R184 C185R177-E181 PolarHBondContact O-N 3.46Å; K178-E181 PolarHBondContact O-N 3.05Å; Q179-E181 VanDerWaalsContact C-N 3.34Å; E181-R183 VanDerWaalsContact C-N 3.27Å; E181-R183 PolarHBondContact O-N 3.39Å; E181-R184 WeakPolarHBondContact O-CA 3.43Å; E181-R184 WeakPolarHBondContact O-CB 3.23Å; E181-R184 PolarHBondContact O-N 3.4Å; E181-C185 PolarHBondContact O-N 2.94Å
182Q80.3Confident75.3Confident135 Ų135123.7 Ų123.763%0.63158%0.58SS**Hα-helixtrans-58.1-40.1176.1-174.1179.66600111.6K178 C185 V186K178-Q182 WeakPolarHBondContact O-CB 3.35Å; K178-Q182 PolarHBondContact O-N 2.84Å; Q182-C185 PolarHBondContact O-N 3.44Å; Q182-V186 WeakPolarHBondContact O-CG2 3.31Å; Q182-V186 PolarHBondContact O-N 3.4Å
183R77Confident73.3Confident165 Ų165125.4 Ų125.462%0.62359%0.59SS**Hα-helixtrans-62.6-43.8172.7-74.6174-176.7-82.24.3112.2Q179 E181 C185 V186 D187Q179-R183 WeakPolarHBondContact O-CB 3.46Å; Q179-R183 VanDerWaalsContact O-CG 3.22Å; Q179-R183 WeakPolarHBondContact O-CG 2.95Å; Q179-R183 PolarHBondContact O-N 3.22Å; E181-R183 VanDerWaalsContact C-N 3.27Å; E181-R183 PolarHBondContact O-N 3.39Å; R183-C185 VanDerWaalsContact C-N 3.3Å; R183-C185 PolarHBondContact O-N 3.34Å; R183-V186 PolarHBondContact O-N 2.69Å; R183-D187 VanDerWaalsContact O-CB 3.26Å; R183-D187 WeakPolarHBondContact O-CB 3.43Å; R183-D187 PolarHBondContact O-N 2.88Å
184R70.8Confident71.6Confident182 Ų182129.4 Ų129.469%0.68762%0.62SS**Hα-helixtrans-61.6-36.2174.3-75.5-172.6-177.7-82.520.4112.5K180 E181 G188K180-R184 WeakPolarHBondContact O-CG 3.34Å; K180-R184 PolarHBondContact O-N 2.75Å; E181-R184 WeakPolarHBondContact O-CA 3.43Å; E181-R184 WeakPolarHBondContact O-CB 3.23Å; E181-R184 PolarHBondContact O-N 3.4Å; R184-G188 PolarHBondContact O-N 3.08Å; R184-G188 VanDerWaalsContact O-N 3.17Å
185C65.6Low69.8Low89 Ų89134.1 Ų134.160%0.60164%0.64SS**Hα-helixtrans-70.1-44.7178.7-172.70000111.8E181 Q182 R183 G188E181-C185 PolarHBondContact O-N 2.94Å; Q182-C185 PolarHBondContact O-N 3.44Å; R183-C185 VanDerWaalsContact C-N 3.3Å; R183-C185 PolarHBondContact O-N 3.34Å; C185-G188 WeakPolarHBondContact O-CA 3.21Å; C185-G188 PolarHBondContact O-N 3.43Å; C185-G188 VanDerWaalsContact O-N 3.09Å
186V63.1Low68.3Low98 Ų98137.7 Ų137.759%0.59465%0.654SS**Hα-helixtrans-66-41175.6173.60000111.7Q182 R183 G188 T189Q182-V186 WeakPolarHBondContact O-CG2 3.31Å; Q182-V186 PolarHBondContact O-N 3.4Å; R183-V186 PolarHBondContact O-N 2.69Å; V186-G188 PolarHBondContact O-N 2.71Å; V186-G188 VanDerWaalsContact O-N 3.17Å; V186-T189 PolarHBondContact O-N 3.22Å; V186-T189 PolarHBondContact O-OG1 3.36Å; V186-T189 VanDerWaalsContact O-OG1 3.08Å
187D53.9Low66.6Low115 Ų115138.2 Ų138.262%0.61567%0.667SS**THydrogen-bonded Turntrans-73.31.7173.9-157.648.8000112.9R183R183-D187 VanDerWaalsContact O-CB 3.26Å; R183-D187 WeakPolarHBondContact O-CB 3.43Å; R183-D187 PolarHBondContact O-N 2.88Å
188G56.5Low65Low45 Ų45143.6 Ų143.646%0.46469%0.688SS.*THydrogen-bonded Turntrans-97-16172.400000114.5R184 C185 V186R184-G188 PolarHBondContact O-N 3.08Å; R184-G188 VanDerWaalsContact O-N 3.17Å; C185-G188 WeakPolarHBondContact O-CA 3.21Å; C185-G188 PolarHBondContact O-N 3.43Å; C185-G188 VanDerWaalsContact O-N 3.09Å; V186-G188 PolarHBondContact O-N 2.71Å; V186-G188 VanDerWaalsContact O-N 3.17Å
189T55.3Low63.7Low119 Ų119147 Ų14773%0.7370%0.702SS**THydrogen-bonded Turntrans-93.4-23.8-179.961.70000113.2V186V186-T189 PolarHBondContact O-N 3.22Å; V186-T189 PolarHBondContact O-OG1 3.36Å; V186-T189 VanDerWaalsContact O-OG1 3.08Å
190L53.4Low62.3Low130 Ų130147.5 Ų147.568%0.68172%0.721SS**SBendtrans-74.9127.4158.5-67.5175.6000108.1R192L190-R192 PolarHBondContact O-N 3.14Å
191Q46.2Very low61.1Low185 Ų185150.4 Ų150.486%0.86473%0.728SS**  trans-56.2131.9176.4-72.1-172.1-2.300109.8E193Q191-E193 PolarHBondContact O-N 3.18Å
192R52.5Low60.3Low212 Ų212150 Ų15080%0.873%0.73SS**  trans-67.685.8167.8-62.9-179.1-167.1155.67.2108.7L190 V194L190-R192 PolarHBondContact O-N 3.14Å; R192-V194 PolarHBondContact O-N 3.42Å
193E51Low59.9Low178 Ų178150.4 Ų150.483%0.83273%0.726SS**  trans-48.9116.6153.3-86.1-150.3134.300106.5Q191 K195Q191-E193 PolarHBondContact O-N 3.18Å; E193-K195 VanDerWaalsContact C-N 3.31Å; E193-K195 PolarHBondContact O-N 3.19Å
194V53.7Low59.9Low131 Ų131151.7 Ų151.779%0.79473%0.731SS**  trans-63.697.9-175.41780000107.2R192 K196R192-V194 PolarHBondContact O-N 3.42Å; V194-K196 WeakPolarHBondContact O-CG 3.09Å; V194-K196 PolarHBondContact O-N 3.34Å
195K57.9Low59.9Low192 Ų192151 Ų15184%0.83574%0.735SS**  trans-69.180-170.4-171.1172.3-172.9168.80109.2E193 V197E193-K195 VanDerWaalsContact C-N 3.31Å; E193-K195 PolarHBondContact O-N 3.19Å; K195-V197 PolarHBondContact O-N 3.39Å
196K61.3Low60.5Low185 Ų185149 Ų14980%0.80472%0.718SS**  trans-36.3107.9-167.4-64.9177.6-178.1173.20109.7V194 R198V194-K196 WeakPolarHBondContact O-CG 3.09Å; V194-K196 PolarHBondContact O-N 3.34Å; K196-R198 PolarHBondContact O-N 2.97Å
197V54.7Low61.1Low140 Ų140152.4 Ų152.485%0.84872%0.72SS**  trans-51.1114.4-177.8177.10000106.8K195 K199K195-V197 PolarHBondContact O-N 3.39Å; V197-K199 VanDerWaalsContact C-N 3.33Å; V197-K199 PolarHBondContact O-N 3.44Å
198R58.4Low62.3Low237 Ų237152.5 Ų152.589%0.89472%0.72SS**  trans-66.497.6-174.6-78.4-172.8172.6125.3-3.1107.8K196 A200K196-R198 PolarHBondContact O-N 2.97Å; R198-A200 PolarHBondContact O-N 2.98Å
199K63.7Low63.1Low198 Ų198153.8 Ų153.886%0.86172%0.715SS**  trans-42.3115.1-179.7-170.7174.5-173.7175.30108.5V197 R201V197-K199 VanDerWaalsContact C-N 3.33Å; V197-K199 PolarHBondContact O-N 3.44Å; K199-R201 PolarHBondContact O-N 2.91Å
200A58.8Low63.8Low93 Ų93153 Ų15377%0.76970%0.704SS**  trans-53.9116.5-168.900000109.6R198 N202R198-A200 PolarHBondContact O-N 2.98Å; A200-N202 PolarHBondContact O-N 2.87Å
201R62.5Low64.9Low194 Ų194150.9 Ų150.973%0.73271%0.705SS**  trans-64.1102.2-175.2178.5173.9172.3153-3108.3K199 R203 E206K199-R201 PolarHBondContact O-N 2.91Å; R201-R203 VanDerWaalsContact C-N 3.35Å; R201-R203 PolarHBondContact O-N 3.31Å; R201-E206 IonicContact CZ-OE1 2.72Å; R201-E206 IonicContact NE-OE1 3.15Å; R201-E206 PolarHBondContact NE-OE1 3.41Å; R201-E206 IonicContact NH2-OE1 3.87Å; R201-E206 PolarHBondContact NH2-OE1 3.4Å
202N68.8Low65.9Low126 Ų126145.7 Ų145.767%0.67468%0.683SS**  trans-68.193.4-176.3-173.6-15.9000109.6A200 R204A200-N202 PolarHBondContact O-N 2.87Å; N202-R204 PolarHBondContact O-N 3.05Å; N202-R204 WeakPolarHBondContact OD1-CB 3.31Å; N202-R204 PolarHBondContact OD1-N 3.02Å
203R73.8Confident66.3Low144 Ų144140.9 Ų140.954%0.54367%0.673SS.*THydrogen-bonded Turntrans-71.41.5-173.8-144.9-179.1-65.4-145.36.9113.3R201 Q205 E206 W207R201-R203 VanDerWaalsContact C-N 3.35Å; R201-R203 PolarHBondContact O-N 3.31Å; R203-Q205 VanDerWaalsContact C-N 3.33Å; R203-Q205 PolarHBondContact O-N 3.27Å; R203-E206 HydrophobicContact CG-CB 3.92Å; R203-E206 HydrophobicContact CG-CG 4.31Å; R203-E206 WeakPolarHBondContact CG-OE2 3.45Å; R203-E206 PolarHBondContact O-N 3.5Å; R203-E206 VanDerWaalsContact O-N 3.17Å; R203-W207 PolarHBondContact O-N 3.15Å
204R76Confident66.8Low192 Ų192141 Ų14173%0.72567%0.671SS**Hα-helixtrans-59.3-37.3-177.5-176.3175.3-74.9-962.9113.1N202 N208N202-R204 PolarHBondContact O-N 3.05Å; N202-R204 WeakPolarHBondContact OD1-CB 3.31Å; N202-R204 PolarHBondContact OD1-N 3.02Å; R204-N208 VanDerWaalsContact O-CB 3.29Å; R204-N208 WeakPolarHBondContact O-CB 3.43Å; R204-N208 PolarHBondContact O-N 3.34Å
205Q71.4Confident67.2Low168 Ų168143.5 Ų143.579%0.78567%0.674SS**Hα-helixtrans-68-41.9175.1-84.9-179.3-35.800112.3R203 N208 M209R203-Q205 VanDerWaalsContact C-N 3.33Å; R203-Q205 PolarHBondContact O-N 3.27Å; Q205-N208 PolarHBondContact O-N 3.37Å; Q205-M209 VanDerWaalsContact O-CB 3.25Å; Q205-M209 WeakPolarHBondContact O-CB 3.47Å; Q205-M209 PolarHBondContact O-N 2.93Å
206E77Confident67.1Low48 Ų48140.6 Ų140.622%0.22467%0.667CS.*Hα-helixtrans-63-42.3175-66.8167.5-144.900111.4R201 R203 M209 M210R201-E206 IonicContact CZ-OE1 2.72Å; R201-E206 IonicContact NE-OE1 3.15Å; R201-E206 PolarHBondContact NE-OE1 3.41Å; R201-E206 IonicContact NH2-OE1 3.87Å; R201-E206 PolarHBondContact NH2-OE1 3.4Å; R203-E206 HydrophobicContact CG-CB 3.92Å; R203-E206 HydrophobicContact CG-CG 4.31Å; R203-E206 WeakPolarHBondContact CG-OE2 3.45Å; R203-E206 PolarHBondContact O-N 3.5Å; R203-E206 VanDerWaalsContact O-N 3.17Å; E206-M209 CarbonylContact O-C 3.47Å; E206-M209 PolarHBondContact O-N 3.41Å; E206-M210 HydrophobicContact CB-CE 3.96Å; E206-M210 WeakPolarHBondContact O-CB 3.5Å; E206-M210 VanDerWaalsContact O-CE 3.32Å; E206-M210 WeakPolarHBondContact O-CE 3.37Å; E206-M210 WeakPolarHBondContact O-CG 3.37Å; E206-M210 PolarHBondContact O-N 3.46Å
207W76.1Confident67.5Low169 Ų169135.6 Ų135.664%0.6464%0.643SS**Hα-helixtrans-66.3-40.2175.1-76.3118.3000113R203 M210 A211R203-W207 PolarHBondContact O-N 3.15Å; W207-M210 HydrophobicContact CE3-CE 4.45Å; W207-M210 CarbonylContact O-C 3.57Å; W207-M210 WeakPolarHBondContact O-CA 3.38Å; W207-M210 PolarHBondContact O-N 2.75Å; W207-A211 PolarHBondContact O-N 2.67Å
208N78.4Confident67.8Low117 Ų117133.3 Ų133.363%0.62663%0.631SS**Hα-helixtrans-67.3-40.2176.2-159.313000111R204 Q205 M210 A211 L212R204-N208 VanDerWaalsContact O-CB 3.29Å; R204-N208 WeakPolarHBondContact O-CB 3.43Å; R204-N208 PolarHBondContact O-N 3.34Å; Q205-N208 PolarHBondContact O-N 3.37Å; N208-M210 PolarHBondContact O-N 2.98Å; N208-A211 PolarHBondContact O-N 2.87Å; N208-L212 PolarHBondContact O-N 2.65Å
209M73.4Confident67.3Low71 Ų71127 Ų12735%0.3562%0.615SS.*Hα-helixtrans-68.5-16.9170.4-171171.365.400112.8Q205 E206 R217Q205-M209 VanDerWaalsContact O-CB 3.25Å; Q205-M209 WeakPolarHBondContact O-CB 3.47Å; Q205-M209 PolarHBondContact O-N 2.93Å; E206-M209 CarbonylContact O-C 3.47Å; E206-M209 PolarHBondContact O-N 3.41Å; M209-R217 HydrophobicContact CG-CG 3.97Å; M209-R217 PolarHBondContact O-NE 2.91Å; M209-R217 VanDerWaalsContact O-NE 3.15Å; M209-R217 PolarHBondContact O-NH2 3.4Å; M209-R217 HydrophobicContact SD-CG 4.44Å
210M70.8Confident66.9Low104 Ų104123.8 Ų123.851%0.51260%0.603SS.*Hα-helixtrans-91.8-22.1171.5-80.2-175.1-81.900114E206 W207 N208 L212E206-M210 HydrophobicContact CB-CE 3.96Å; E206-M210 WeakPolarHBondContact O-CB 3.5Å; E206-M210 VanDerWaalsContact O-CE 3.32Å; E206-M210 WeakPolarHBondContact O-CE 3.37Å; E206-M210 WeakPolarHBondContact O-CG 3.37Å; E206-M210 PolarHBondContact O-N 3.46Å; W207-M210 HydrophobicContact CE3-CE 4.45Å; W207-M210 CarbonylContact O-C 3.57Å; W207-M210 WeakPolarHBondContact O-CA 3.38Å; W207-M210 PolarHBondContact O-N 2.75Å; N208-M210 PolarHBondContact O-N 2.98Å; M210-L212 VanDerWaalsContact C-N 3.29Å
211A75.7Confident66.3Low85 Ų85128.8 Ų128.870%0.70260%0.602SS**Hα-helixtrans-74.8-20.1167.400000112.6W207 N208W207-A211 PolarHBondContact O-N 2.67Å; N208-A211 PolarHBondContact O-N 2.87Å
212L67.8Low65.6Low75 Ų75127.9 Ų127.939%0.39361%0.606SS.*SBendtrans-74.9129.5171.6-139.475000111N208 M210 L216 R217N208-L212 PolarHBondContact O-N 2.65Å; M210-L212 VanDerWaalsContact C-N 3.29Å; L212-L216 HydrophobicContact CD2-CB 4.14Å; L212-L216 WeakPolarHBondContact CD2-O 3.4Å; L212-L216 HydrophobicContact CG-CB 4.3Å; L212-R217 PolarHBondContact O-NH1 3.41Å; L212-R217 PolarHBondContact O-NH2 3.08Å
213D61.9Low64.2Low112 Ų112127.5 Ų127.560%0.59961%0.608SS**  trans-60.4157.6-178.1-168.624.3000112.2E215 L216 R217D213-E215 PolarHBondContact O-N 3.23Å; D213-E215 VanDerWaalsContact O-N 3.17Å; D213-L216 PolarHBondContact O-N 3.48Å; D213-R217 PolarHBondContact O-NH1 3.14Å
214K61.5Low62.8Low180 Ų180127.8 Ų127.878%0.78362%0.619SS**G310 helixtrans-56-36.6-168.1-79.1-179.8175.6174.50113.5
215E60.8Low60.9Low183 Ų183128 Ų12886%0.85563%0.627SS**G310 helixtrans-83.1-14.6-173.5-55.6-169.1172.300114D213D213-E215 PolarHBondContact O-N 3.23Å; D213-E215 VanDerWaalsContact O-N 3.17Å
216L57Low59.3Low131 Ų131130.6 Ų130.669%0.68663%0.63SS**G310 helixtrans-104.81.6-175.5-71.7170000114.4L212 D213L212-L216 HydrophobicContact CD2-CB 4.14Å; L212-L216 WeakPolarHBondContact CD2-O 3.4Å; L212-L216 HydrophobicContact CG-CB 4.3Å; D213-L216 PolarHBondContact O-N 3.48Å
217R68.6Low57.2Low80 Ų80135.2 Ų135.230%0.30266%0.656SS.*SBendtrans-88127.7-176.3175.5-165.9-77.379.8-2.8111.4M209 L212 D213 D219M209-R217 HydrophobicContact CG-CG 3.97Å; M209-R217 PolarHBondContact O-NE 2.91Å; M209-R217 VanDerWaalsContact O-NE 3.15Å; M209-R217 PolarHBondContact O-NH2 3.4Å; M209-R217 HydrophobicContact SD-CG 4.44Å; L212-R217 PolarHBondContact O-NH1 3.41Å; L212-R217 PolarHBondContact O-NH2 3.08Å; D213-R217 PolarHBondContact O-NH1 3.14Å; R217-D219 PolarHBondContact O-N 3.27Å; R217-D219 VanDerWaalsContact O-N 3.16Å
218P60.4Low55.2Low92 Ų92138.4 Ų138.460%0.59767%0.668SS**PPolyproline II helixtrans-59.7116.1176.6-25.635.1000113H220P218-H220 PolarHBondContact O-N 3.21Å; P218-H220 PolarHBondContact O-ND1 3.14Å
219D49.6Very low52.9Low105 Ų105137.8 Ų137.856%0.56168%0.679SS**PPolyproline II helixtrans-68.3128.7179.6-169.29.3000110.9R217 R221R217-D219 PolarHBondContact O-N 3.27Å; R217-D219 VanDerWaalsContact O-N 3.16Å; D219-R221 PolarHBondContact O-N 2.89Å; D219-R221 VanDerWaalsContact O-N 3.13Å; D219-R221 IonicContact OD1-NH1 2.78Å; D219-R221 VanDerWaalsContact OD2-CD 3.27Å; D219-R221 WeakPolarHBondContact OD2-CD 3.34Å; D219-R221 WeakPolarHBondContact OD2-CG 3.33Å; D219-R221 IonicContact OD2-CZ 2.7Å; D219-R221 IonicContact OD2-NE 3.76Å; D219-R221 IonicContact OD2-NH1 2.7Å; D219-R221 PolarHBondContact OD2-NH1 3.36Å
220H53.6Low51Low130 Ų130138.9 Ų138.960%0.60270%0.7SS**  trans-84.119.3-170-87.251.6000113.8P218 H222P218-H220 PolarHBondContact O-N 3.21Å; P218-H220 PolarHBondContact O-ND1 3.14Å; H220-H222 PolarHBondContact O-N 2.82Å; H220-H222 VanDerWaalsContact O-N 3.1Å
221R47.2Very low49.1Very low198 Ų198139.3 Ų139.375%0.74771%0.713SS**THydrogen-bonded Turntrans-70.41.2-172.8-84.9-171.3165.3101.5-6.3116.5D219D219-R221 PolarHBondContact O-N 2.89Å; D219-R221 VanDerWaalsContact O-N 3.13Å; D219-R221 IonicContact OD1-NH1 2.78Å; D219-R221 VanDerWaalsContact OD2-CD 3.27Å; D219-R221 WeakPolarHBondContact OD2-CD 3.34Å; D219-R221 WeakPolarHBondContact OD2-CG 3.33Å; D219-R221 IonicContact OD2-CZ 2.7Å; D219-R221 IonicContact OD2-NE 3.76Å; D219-R221 IonicContact OD2-NH1 2.7Å; D219-R221 PolarHBondContact OD2-NH1 3.36Å
222H47.3Very low47Very low176 Ų176139.7 Ų139.782%0.81571%0.71SS**THydrogen-bonded Turntrans-124.811.5-162.9-68-7.7000116.5H220H220-H222 PolarHBondContact O-N 2.82Å; H220-H222 VanDerWaalsContact O-N 3.1Å
223T40.8Very low45.3Very low117 Ų117144.6 Ų144.672%0.71873%0.731SS**SBendtrans-123.75.6-172.552.90000116.8
224I42.6Very low43.9Very low151 Ų151142.8 Ų142.877%0.77474%0.739SS**SBendtrans-130.330.2-179.9-30.7-178.4000113.5
225H36.4Very low42.6Very low195 Ų195139.4 Ų139.490%0.90374%0.738SS**  trans-136.379168.1-93.4-78.6000112.2
226R38.5Very low41.1Very low224 Ų224139.1 Ų139.185%0.84574%0.739SS**  trans-141141.9157.6-173.4163.8168.7166-3.9106.7
227D33.5Very low40.1Very low145 Ų145137.8 Ų137.878%0.77574%0.741SS**SBendtrans67.857.7175.7-48.3-29.7000118.1
228R33.5Very low39.2Very low236 Ų236140 Ų14089%0.89177%0.765SS**  -167.8116.8122.8179.5156.6-79.3141.9-2.6111.3
229A29.8Very low37.8Very low103 Ų103143.3 Ų143.385%0.85177%0.773SS**  trans-91.4134.3171.200000111
230A33.7Very low36.9Very low95 Ų95144.5 Ų144.579%0.78578%0.779SS**  trans-160.5138.9158.100000108.6
231S31.6Very low35.8Very low113 Ų113148.5 Ų148.579%0.7979%0.789SS**  trans-59.4161.6175.9-39.30000111.6
232S31.1Very low34.9Very low92 Ų92142.1 Ų142.164%0.64379%0.785SS**  cis-157.7176.939.5-112.50000115.6
233E32.7Very low34.1Very low178 Ų178142 Ų14283%0.83278%0.784SS**  trans-14.2150.6157.4-57.7130.3128.800118.2
234G31.6Very low33.3Very low74 Ų74141.1 Ų141.176%0.76378%0.783SS**  cis176.9170.82.800000112.2
235S34.3Very low32.8Very low109 Ų109139.2 Ų139.276%0.76278%0.778SS**  trans-70.5147.3-177.8-51.70000113.2
236M29.4Very low32.6Very low177 Ų177135.6 Ų135.687%0.87277%0.766SS**  176.2149.9103.2-86-48.2-179.500111.9
237S35.6Very low32.2Very low104 Ų104131.2 Ų131.273%0.72776%0.755SS**  trans-99.1152.2156-177.40000108.1
238P49.3Very low32.2Very low125 Ų125130.8 Ų130.881%0.81275%0.748SS**  -146.2165.4109.638.1-23000116.8
239E32.2Very low32Very low163 Ų163128.3 Ų128.376%0.76275%0.746SS**  trans-79.2141.3174.5176.272-120.100113.6
240N29.8Very low31.9Very low129 Ų129133.4 Ų133.469%0.6975%0.745SS**  trans-173.6120.3136.3-124.3-20.3000117.3
241R31.9Very low32.8Very low214 Ų214134 Ų13481%0.80874%0.74SS**  trans27.1137.8134-65.9179.2171.7139.3-4.8124
242G26.8Very low32.8Very low65 Ų65134.7 Ų134.767%0.6774%0.735SS**  trans151.399.514900000112.6
243H30.9Very low32.8Very low172 Ų172134.7 Ų134.780%0.79674%0.735SS**  62.4129.179.3-62.7-44.1000114.3
244S23.2Very low32.7Very low99 Ų99132.5 Ų132.569%0.69273%0.727SS**  cis-171.7166.7-8.1-134.30000111.8
245V33.3Very low32.7Very low111 Ų111135.3 Ų135.367%0.67372%0.724SS**  trans63.6102.3147.71670000117.5
246D31.4Very low32.7Very low119 Ų119137.7 Ų137.764%0.63672%0.723SS**  97.4174.888.3-72.9-22000112.6
247Q30.7Very low32.7Very low133 Ų133134.1 Ų134.162%0.62172%0.721SS**  cis-150124.410.4-157.699.679.800113.8
248H33.9Very low32.4Very low136 Ų136132.7 Ų132.763%0.6372%0.723SS**  trans34143.9145-46.8165.4000123.8
249H28.1Very low31.5Very low184 Ų184134.9 Ų134.985%0.85272%0.722SS**  -152.7149.6104.1-109.173.3000114.3
250Y27.5Very low31.5Very low209 Ų209131.4 Ų131.482%0.8272%0.721SS**  trans-118.1-173.1178.7-106.5-109.3000108.2
251P54Low31.5Very low107 Ų107133.1 Ų133.170%0.69573%0.725SS**  cis-121.1-162.53.243.3-26.4000112.5
252N31.4Very low31.6Very low129 Ų129129.2 Ų129.269%0.6973%0.725SS**  cis-153.4-178.18.2-140.95.7000108.1
253S30.5Very low31.6Very low91 Ų91136.4 Ų136.464%0.63673%0.734SS**  cis-156.9-175.69.5-157.20000112.7
254M31.5Very low31.8Very low133 Ų133133.5 Ų133.566%0.65573%0.733SS**  trans-63.3147.2172.2-1034078.900114
255N30.4Very low32.4Very low133 Ų133131.2 Ų131.271%0.71172%0.724SS**  63.7142.453.7-84.5-11.5000113.4
256H34.5Very low33.3Very low159 Ų159131.5 Ų131.574%0.73673%0.728SS**  cis-143.1141.523.8-85.4-71.4000110.6
257A29.9Very low34Very low101 Ų101131 Ų13184%0.83573%0.732SS**  94.2143.38100000115.7
258G29Very low34.5Very low74 Ų74131 Ų13176%0.76374%0.743SS**  trans-175.1142.3177.800000111.4
259H31.4Very low35Very low172 Ų172129.2 Ų129.280%0.79675%0.746SS**  trans-87.7145.1-167.3-80.5-123.3000114.8H261H259-H261 AromaticContact CE1-NE2 3.82Å; H259-H261 AromaticContact ND1-CD2 3.78Å; H259-H261 AromaticContact ND1-CE1 3.92Å; H259-H261 AromaticContact ND1-NE2 2.98Å; H259-H261 PolarHBondContact ND1-NE2 3.21Å
260A30.6Very low35.8Very low90 Ų90127.7 Ų127.774%0.74474%0.743SS**  trans-145.1118.1153.600000109.4T262A260-T262 PolarHBondContact O-N 3.15Å
261H30Very low36.3Very low164 Ų164124.1 Ų124.176%0.75974%0.737SS**  trans-93.192.3-178.7-74.9-91.9000111.3H259 Y263H259-H261 AromaticContact CE1-NE2 3.82Å; H259-H261 AromaticContact ND1-CD2 3.78Å; H259-H261 AromaticContact ND1-CE1 3.92Å; H259-H261 AromaticContact ND1-NE2 2.98Å; H259-H261 PolarHBondContact ND1-NE2 3.21Å; H261-Y263 PolarHBondContact O-N 3.15Å
262T33.7Very low35.8Very low133 Ų133123.4 Ų123.482%0.81674%0.74SS**  trans-83.8100.3173.8-27.70000110.2A260 S264A260-T262 PolarHBondContact O-N 3.15Å; T262-S264 PolarHBondContact O-N 3Å; T262-S264 VanDerWaalsContact O-N 3.12Å
263Y28.7Very low36.2Very low216 Ų216121.2 Ų121.285%0.84774%0.74SS**  trans-72.3103.2174.8-172.9-91000110.5H261 G265H261-Y263 PolarHBondContact O-N 3.15Å; Y263-G265 PolarHBondContact O-N 3.39Å; Y263-G265 VanDerWaalsContact O-N 3.14Å
264S33.3Very low36.7Very low111 Ų111124.1 Ų124.178%0.77674%0.744SS**  trans-78.393178.357.80000111.3T262T262-S264 PolarHBondContact O-N 3Å; T262-S264 VanDerWaalsContact O-N 3.12Å
265G37.6Very low37Very low50 Ų50126.4 Ų126.452%0.51576%0.755SS.*PPolyproline II helixtrans-63.9153.1171.400000112.9Y263Y263-G265 PolarHBondContact O-N 3.39Å; Y263-G265 VanDerWaalsContact O-N 3.14Å
266P50.6Low37.6Very low117 Ų117124.7 Ų124.776%0.7676%0.759SS**PPolyproline II helixtrans-69.1156.3178.629.8-35.4000112.4
267P46Very low38Very low109 Ų109121.5 Ų121.571%0.70876%0.76SS**PPolyproline II helixtrans-66.3150.5-179.528.1-35.6000112.5S269P267-S269 PolarHBondContact O-N 3.23Å
268P42.3Very low38Very low132 Ų132120 Ų12086%0.85776%0.755SS**PPolyproline II helixtrans-63.9124.2-17725.9-34.3000111.6
269S43.3Very low38.3Very low99 Ų99126.3 Ų126.369%0.69276%0.764SS**PPolyproline II helixtrans-82.3143.1179.1-72.60000112.3P267 L271 A272P267-S269 PolarHBondContact O-N 3.23Å; S269-L271 PolarHBondContact O-N 2.76Å; S269-A272 PolarHBondContact O-N 3.07Å
270I45.1Very low38.5Very low153 Ų153122.5 Ų122.579%0.78576%0.762SS**G310 helixtrans-59-15.1-172.1-71.7173.2000114.4A272 A273I270-A272 VanDerWaalsContact C-N 3.25Å; I270-A272 PolarHBondContact O-N 2.89Å; I270-A273 PolarHBondContact O-N 3.4Å
271L39.5Very low39.1Very low134 Ų134124.6 Ų124.670%0.70277%0.768SS**G310 helixtrans-61.1-28.5-178-161.267.3000113.9S269 A273 Q274S269-L271 PolarHBondContact O-N 2.76Å; L271-A273 PolarHBondContact O-N 3.05Å; L271-Q274 PolarHBondContact O-N 2.97Å
272A42.4Very low39.2Very low92 Ų92128.7 Ų128.776%0.7678%0.777SS**G310 helixtrans-66.3-21.7-179.300000114S269 I270S269-A272 PolarHBondContact O-N 3.07Å; I270-A272 VanDerWaalsContact C-N 3.25Å; I270-A272 PolarHBondContact O-N 2.89Å
273A41Very low39Very low83 Ų83126.3 Ų126.369%0.68678%0.779SS**G310 helixtrans-82.2-10.7-179.400000113.9I270 L271I270-A273 PolarHBondContact O-N 3.4Å; L271-A273 PolarHBondContact O-N 3.05Å
274Q39.1Very low39.1Very low152 Ų152120.1 Ų120.171%0.7178%0.78SS**SBendtrans-104.1-4-165.7-160.1160.317.700114.8L271L271-Q274 PolarHBondContact O-N 2.97Å
275M37.8Very low38.9Very low180 Ų180118.3 Ų118.389%0.88778%0.78SS**SBendtrans-87.4-7.2176.1-70.8-73.1-158.800113.9
276A45Very low38.7Very low98 Ų98124.9 Ų124.981%0.8180%0.797SS**SBendtrans-97.92.3-172.800000114.8
277A41.8Very low37.8Very low91 Ų91127.8 Ų127.875%0.75280%0.8SS**SBendtrans-138.399.1-176.800000110.5
278G29.1Very low37.1Very low71 Ų71129.6 Ų129.673%0.73280%0.804SS**  trans174.444.5-173.700000118.8
279H36.8Very low36.5Very low206 Ų206126.3 Ų126.395%0.95478%0.784SS**  trans-132.2139.9157.3-87.5-73.4000110.7
280A34.3Very low35.9Very low92 Ų92132.9 Ų132.976%0.7679%0.794SS**  trans-115158.6-168.700000111.5
281P44Very low35Very low133 Ų133129.1 Ų129.186%0.86479%0.793SS**  trans-86.1170-165.335.6-37.8000113.7
282R31.4Very low34.6Very low251 Ų251133.8 Ų133.895%0.94780%0.801SS**  trans-153.8102.5166.9-161.4175.4-167.2-121.8-1.1114.5
283G29.4Very low34Very low82 Ų82135.2 Ų135.285%0.84580%0.8SS**  trans69.6117.7148.200000118.6
284G30.9Very low33.5Very low86 Ų86138.8 Ų138.889%0.88781%0.805SS**  trans-121.4-175.1164.600000112.3
285G29.8Very low33Very low74 Ų74139.7 Ų139.776%0.76381%0.811SS**  trans144.1141.5177.200000110.8
286E32.3Very low32.7Very low187 Ų187135 Ų13587%0.87480%0.801SS**  cis-160.8178.3-0.1-110.3-174.2116.400110
287Q31.7Very low31.9Very low178 Ų178140.5 Ų140.583%0.83280%0.803SS**  trans80.4113.3171.4-53.2-176.68.700116.4
288D31.1Very low31.2Very low148 Ų148145.4 Ų145.479%0.79181%0.81SS**  87.4143.963.4-105-32.1000113.8
289S30.6Very low31Very low63 Ų63145.4 Ų145.444%0.44181%0.81SS.*  cis-163.5146.6-3.2-147.60000111.8
290R30.2Very low30.5Very low236 Ų236139 Ų13989%0.89180%0.8SS**  trans64.6159.7158.5-53.9145.6-154.7-153.91117.2
291G27.2Very low30.2Very low74 Ų74140.3 Ų140.376%0.76380%0.798SS**  cis147.7136.3-12.500000114.9
292R30Very low29.7Very low233 Ų233142.3 Ų142.388%0.87980%0.801SS**  trans81.2100.4162.3-168.7-176.9-71.7-117.3-0.9121.3
293T30Very low29.5Very low121 Ų121134.2 Ų134.274%0.74280%0.796SS**  47.4129.7114.4-39.30000123.7
294M30.2Very low29.3Very low159 Ų159142 Ų14278%0.78380%0.8SS**  trans89.2147.3146.6-93.2-74.5-165.600123.2
295M30.4Very low29.4Very low170 Ų170142.4 Ų142.484%0.83779%0.787SS**  trans75.7167.5162.4-69.3-62.7173.400119.9
296A31.2Very low29.5Very low82 Ų82148.2 Ų148.268%0.67879%0.794SS**  trans-131.6-169.8-154.100000113.6
297Y26.8Very low29.6Very low214 Ų214145.8 Ų145.884%0.83978%0.782SS**  trans94.7134.9174.4-69.9-85.3000118.5
298Q28.7Very low29.6Very low193 Ų193144.3 Ų144.390%0.90277%0.774SS**  trans65.3156.8160.2-67.4172-2.900117.4
299G24.6Very low29.4Very low71 Ų71145.1 Ų145.173%0.73277%0.774SS**  cis156.170.3-9.400000115
300G26.6Very low29.8Very low73 Ų73146.5 Ų146.575%0.75379%0.789SS**  trans80.4173.4176.900000114.5
301T27.7Very low30Very low118 Ų118141.5 Ų141.572%0.72479%0.787SS**  cis-149.21640.763.50000110.7
302L32.2Very low30.2Very low175 Ų175145.9 Ų145.992%0.91679%0.792SS**  trans62.1131.7164.5-54.9167.2000116.8
303G27.3Very low31.3Very low81 Ų81140.1 Ų140.184%0.83579%0.785SS**  cis-171.6173.4-5.200000107.2
304R25.6Very low31.8Very low246 Ų246140 Ų14093%0.92879%0.786SS**  cis-147.6152.114.4-179.5174.1-177.3-161-0.8107.7
305P34.2Very low32.4Very low95 Ų95138.2 Ų138.262%0.61779%0.786SS**  trans-94161.7-14935.8-38.1000116.6
306H31.6Very low33.9Very low196 Ų196135.9 Ų135.991%0.90778%0.784SS**  trans-90.8140.3147.2-123.653.8000108.7
307H34.5Very low34Very low136 Ų136136 Ų13663%0.6379%0.785SS**  trans-143.2125.9-179.1-106.922.1000111.2
308H30.7Very low34.3Very low146 Ų146135.1 Ų135.168%0.67679%0.788SS**  trans64.9148.2136.1-64.1-22.2000119.2
309Q27.6Very low34.6Very low166 Ų166130 Ų13078%0.77678%0.779SS**  cis-167161-11.2173169.429.800107.7
310A38.6Very low34.9Very low92 Ų92135.2 Ų135.276%0.7679%0.787SS**  trans-69.8153176.200000112.5
311P34.9Very low35.3Very low130 Ų130139.3 Ų139.384%0.84479%0.792SS**  -144.5-178119.738.5-23.8000115.5
312L30.9Very low35.6Very low166 Ų166137 Ų13787%0.86979%0.79SS**  trans-91.9168.2-178.8-80.4165000113.4
313P52.9Low35.6Very low112 Ų112132.5 Ų132.573%0.72779%0.787SS**  trans-93.7164.8-16937.9-37.9000115.5
314P40.8Very low35.9Very low119 Ų119134.3 Ų134.377%0.77379%0.787SS**  -147.1-161.8123.938.6-19.1000112.8
315P43.4Very low36.4Very low122 Ų122130.4 Ų130.479%0.79278%0.781SS**  -125-132.8-7646.2-29.1000113.4
316P60.4Low36.3Very low121 Ų121130.9 Ų130.979%0.78679%0.787SS**  trans-128.1176.8-141.540.7-19.2000118.5
317A33.9Very low36.4Very low85 Ų85129.4 Ų129.470%0.70279%0.785SS**  trans164.7144.4139.800000115.5
318E34.1Very low38Very low194 Ų194128.3 Ų128.391%0.90779%0.79SS**  trans47.1156.1135.3-66.7174.3-178.100123.2
319A33.9Very low38.8Very low86 Ų86127.5 Ų127.571%0.71180%0.797SS**  cis-169.6-165.6-1500000111.7
320M31.2Very low39.4Very low181 Ų181128 Ų12889%0.89280%0.802SS**  trans72.6138.8178.2-89115.768.100118.7
321N35.5Very low39Very low159 Ų159131 Ų13185%0.8581%0.805SS**  cis77.61345-165.172.3000119
322G32.4Very low39Very low68 Ų68134.5 Ų134.570%0.70180%0.803SS**  cis162.3156.7-8.600000115.1
323G33.1Very low39.2Very low82 Ų82131.8 Ų131.885%0.84580%0.798SS**  trans153.3168.6178.800000113.2
324S33.6Very low38.3Very low119 Ų119133.7 Ų133.783%0.83280%0.799SS**  cis-174.6174.7-0.971.20000108.4
325M36.6Very low38Very low163 Ų163135.3 Ų135.380%0.80380%0.801SS**  cis-170.1154-9.4-123.8-64.4-137.800112.7
326S32.1Very low37.5Very low106 Ų106132.8 Ų132.874%0.74180%0.797SS**  trans70.7162.2148.362.20000125.3
327L33Very low36.5Very low165 Ų165138.5 Ų138.586%0.86481%0.805SS**  trans-141.3-175.6-172.5-79169.7000109.1
328P67.5Low36.9Very low113 Ų113138.6 Ų138.673%0.73481%0.805SS**  cis-122.4-157.9-38.934.9-13.8000110.9
329P48.2Very low37Very low129 Ų129136.6 Ų136.684%0.83880%0.8SS**  -145.1-163.783.439-19.1000114.8
330M41.3Very low37.4Very low175 Ų175138.3 Ų138.386%0.86280%0.803SS**  trans-130.7153.1-167-116.4-82.1-170.300112.3
331D30.3Very low38.3Very low157 Ų157132.9 Ų132.984%0.8479%0.792SS**  trans-154.2172.4160.4-143.3-33.5000111.4
332Y33.4Very low39.2Very low203 Ų203131.2 Ų131.280%0.79679%0.791SS**  trans-128.2169.1-143.9-153.9-98.1000117
333S36Very low40.5Very low108 Ų108133.5 Ų133.576%0.75579%0.793SS**  trans89.5126.7177-37.30000115.3
334M34.4Very low41.8Very low153 Ų153135.2 Ų135.275%0.75479%0.789SS**  cis102.499.217.2-173.959.6-17700115
335D34.1Very low43Very low153 Ų153135.2 Ų135.282%0.81879%0.787SS**  -176.5139.3123.2-104.4-33.8000110.8
336G32.9Very low44.3Very low68 Ų68133 Ų13370%0.70178%0.784SS**  trans152.3107.8177.600000115.2
337Y38.6Very low45.4Very low242 Ų242134 Ų13495%0.94979%0.788SS**  trans-60.3146.2-174-85.3-102.9000115.4
338A42.7Very low46.5Very low86 Ų86130.4 Ų130.471%0.71178%0.782SS**  trans-98.2151.517900000113.8
339N36.7Very low45.7Very low152 Ų152130.8 Ų130.881%0.81379%0.785SS**  trans-161.2161.5140.9-119.1-75.7000114.9
340T43.1Very low45.6Very low123 Ų123131.1 Ų131.176%0.75578%0.784SS**  trans-13.8133.217451.90000120.5
341G49.3Very low45.5Very low66 Ų66129.9 Ų129.968%0.6878%0.779SS**PPolyproline II helixtrans-75.6169.2156.600000113.6
342P53.2Low46Very low125 Ų125127.7 Ų127.781%0.81277%0.774SS**PPolyproline II helixtrans-75.8153.2-169.730.1-36000114.7
343P61.6Low46.1Very low116 Ų116123.8 Ų123.875%0.75378%0.776SS**PPolyproline II helixtrans-79.7162.8-178.933.5-36.9000113.9
344P60.4Low46.1Very low117 Ų117122.9 Ų122.976%0.7678%0.776SS**PPolyproline II helixtrans-69.5157.8173.930.3-36.3000113.1
345P57.7Low46.2Very low120 Ų120124.1 Ų124.178%0.77978%0.779SS**PPolyproline II helixtrans-73.1152.2-176.930-36000113.6
346P64.9Low46.4Very low117 Ų117123.1 Ų123.176%0.7678%0.779SS**PPolyproline II helixtrans-79.3158.3-178.832.9-36.3000113.6
347P55.4Low46.3Very low125 Ų125123.3 Ų123.381%0.81277%0.774SS**PPolyproline II helixtrans-71.4153.3173.631-35.5000112.7
348A55.7Low45.9Very low91 Ų91121.4 Ų121.475%0.75277%0.771SS**PPolyproline II helixtrans-74.4147.8-17900000113.2
349P50.5Low45.3Very low120 Ų120121.7 Ų121.778%0.77977%0.773SS**PPolyproline II helixtrans-78.6144.4-177.531.8-35.5000113.2
350V46.6Very low45.2Very low137 Ų137119.7 Ų119.783%0.8377%0.771SS**PPolyproline II helixtrans-84.5133.1168-179.70000109.2P352V350-P352 WeakPolarHBondContact O-CD 3.49Å
351I37.8Very low46.3Very low148 Ų148119.6 Ų119.676%0.75977%0.773SS**  trans-105.4109.6178-58.4175.6000109.9
352P41.3Very low46.5Very low111 Ų111122.4 Ų122.472%0.72178%0.779SS**  trans-93.1141.8166.534.7-30.6000111.2V350V350-P352 WeakPolarHBondContact O-CD 3.49Å
353S36Very low45.3Very low122 Ų122120.2 Ų120.285%0.85378%0.779SS**  trans-141.8137.9163.4-77.50000108.5
354A34.7Very low43.8Very low89 Ų89118.2 Ų118.274%0.73678%0.779SS**  trans-138.6164.5-164.700000112
355Q37.7Very low43.3Very low179 Ų179118.3 Ų118.384%0.83678%0.78SS**  trans-165.3114.8146-111.8158.399.100112.4
356T38.3Very low42.2Very low131 Ų131121 Ų12180%0.80478%0.784SS**  trans57146.9139.219.80000121.2
357A29.6Very low41Very low73 Ų73120.5 Ų120.560%0.60378%0.784SS**  cis-154.6169.212.900000115.5
358F31.1Very low40.6Very low202 Ų202121 Ų12189%0.88679%0.787SS**  trans75.8104.4157-73.5-69.9000122.7
359A30Very low39.6Very low92 Ų92120.1 Ų120.176%0.7679%0.787SS**  86.5146.6127.100000121.5
360S33.7Very low40.2Very low110 Ų110120.5 Ų120.577%0.76979%0.79SS**  trans-166.5-173.4-178.2-35.50000106.9
361P65.8Low39.6Very low121 Ų121122.8 Ų122.879%0.78679%0.793SS**  cis-119.8-131.1-36.131.3-8.3000106.6
362P53.7Low39.4Very low124 Ų124119.6 Ų119.681%0.80579%0.789SS**  cis-131.9176-26.139.3-22.2000115.5
363G29.9Very low39.1Very low80 Ų80120.8 Ų120.883%0.82579%0.794SS**  trans156.2117.6157.700000115.8
364G28.3Very low38.9Very low73 Ų73123 Ų12375%0.75380%0.795SS**  trans-110.5-149.1161.200000110.5
365P50.8Low38.8Very low119 Ų119123.6 Ų123.677%0.77379%0.793SS**  cis-145.6-169.53.132.9-7.5000116.2
366M34.4Very low38.6Very low176 Ų176121.8 Ų121.887%0.86779%0.794SS**  trans90.4145.5154-42.3-150.980.500121.5
367S39.1Very low38.2Very low108 Ų108118.7 Ų118.776%0.75579%0.788SS**  trans-120.9171.4161.4-46.70000108.2
368P48.1Very low38.5Very low134 Ų134118.8 Ų118.887%0.8780%0.797SS**  -156.8167.3101.439.6-22.1000117.3
369G34.2Very low38.6Very low74 Ų74120.3 Ų120.376%0.76380%0.798SS**  trans107.5127.1139.900000119.2
370P64Low39.3Very low128 Ų128120.3 Ų120.383%0.83180%0.798SS**  trans-115.8170.5173.141-32.3000114.1
371M34.2Very low40Very low184 Ų184120.8 Ų120.891%0.90680%0.798SS**  trans-162.1145.1152.3-111-46.5-144.400117.1
372A32.4Very low39.4Very low81 Ų81120.6 Ų120.667%0.66980%0.797SS**  trans43.7109.8146.400000124.7
373V34.4Very low39.4Very low137 Ų137120.2 Ų120.283%0.8380%0.795SS**  trans-16.6134.7137.4-179.50000118.7
374I33Very low40.5Very low169 Ų169121.8 Ų121.887%0.86779%0.79SS**  trans-140152.6138.7-70.5-167.5000108.9
375S33Very low41.5Very low100 Ų100124.4 Ų124.470%0.69979%0.794SS**  trans-118.4148.4176.5173.40000111.2
376V32.2Very low41.2Very low142 Ų142126.6 Ų126.686%0.86180%0.798SS**  trans173.2146.8143.91420000112.1
377G31.1Very low41.3Very low65 Ų65124.5 Ų124.567%0.6780%0.801SS**  trans87.8102.6141.900000118.3
378G34.5Very low41Very low76 Ų76122.9 Ų122.978%0.78480%0.801SS**  trans-91.8150.8163.300000112.3
379Y34.2Very low40.8Very low234 Ų234121.1 Ų121.192%0.91880%0.798SS**  trans-134.7135.3168.3-82.1-84.5000110.3
380A44.1Very low41Very low91 Ų91126.5 Ų126.575%0.75280%0.803SS**PPolyproline II helixtrans-91.1149.3171.200000110.4
381P48.1Very low39.9Very low120 Ų120127 Ų12778%0.77980%0.804SS**PPolyproline II helixtrans-70.5147.6175.530.1-34.8000111.7
382P53.6Low40.3Very low117 Ų117122.2 Ų122.276%0.7679%0.794SS**PPolyproline II helixtrans-76155.7179.632-35.9000112.7
383P53.6Low41.3Very low117 Ų117123.9 Ų123.976%0.7680%0.798SS**PPolyproline II helixtrans-75.5152.2174.332.4-35.4000112.3
384P54.2Low42.5Very low112 Ų112122.9 Ų122.973%0.72779%0.794SS**PPolyproline II helixtrans-74.1150.317331.8-34.9000111.9
385P49.2Very low44.1Very low129 Ų129120.4 Ų120.484%0.83879%0.789SS**PPolyproline II helixtrans-77.1142.8179.531.3-34.9000112.8
386L44.4Very low45.3Very low164 Ų164121.7 Ų121.786%0.85980%0.795SS**PPolyproline II helixtrans-87.8124.1162.3-79.978.7000110
387S35.2Very low46.5Very low132 Ų132118.1 Ų118.192%0.92379%0.786SS**  trans179.7157145.2-870000112.2
388G33.8Very low48.2Very low74 Ų74121 Ų12176%0.76379%0.793SS**  trans108.498.2162.600000114.9
389A43.5Very low49.5Very low97 Ų97123.5 Ų123.580%0.80280%0.796SS**  trans-72.8135.2164.600000110
390Q38.2Very low50.8Low187 Ų187115.5 Ų115.587%0.87478%0.784SS**  trans-133.6153.1168.3-75.7-62.8-75.800110.1
391V40.2Very low51.7Low139 Ų139117.1 Ų117.184%0.84279%0.787SS**PPolyproline II helixtrans-82138.7-163.1179.90000111.6
392A44Very low52.5Low84 Ų84116.8 Ų116.869%0.69479%0.785SS**PPolyproline II helixtrans-69.5136.2175.300000111.5
393P52.3Low53Low116 Ų116116.9 Ų116.975%0.75379%0.786SS**PPolyproline II helixtrans-69.4149.4174.529.8-34.7000111.3
394P60.7Low53.4Low115 Ų115116.9 Ų116.975%0.74779%0.786SS**PPolyproline II helixtrans-68.7150.9178.929.2-35.2000112.1
395P66.2Low53.3Low117 Ų117117.7 Ų117.776%0.7679%0.791SS**PPolyproline II helixtrans-69.8151.3179.929.4-35.4000112.3
396P58.2Low53.5Low128 Ų128118 Ų11883%0.83179%0.79SS**PPolyproline II helixtrans-60.4141172.3-22.333.7000112.5
397G58.1Low53.5Low66 Ų66116.3 Ų116.368%0.6879%0.789SS**PPolyproline II helixtrans-68.8158.117300000113
398P66.3Low53.5Low125 Ų125115.3 Ų115.381%0.81279%0.789SS**PPolyproline II helixtrans-67.3148.4-179.628.7-35.3000112.2
399P60.5Low53.4Low129 Ų129115.7 Ų115.784%0.83879%0.793SS**PPolyproline II helixtrans-67.9143.5176.328.9-34.8000111.7
400G62.7Low52.8Low66 Ų66115.5 Ų115.568%0.6879%0.791SS**PPolyproline II helixtrans-69.5157.5176.800000113.6
401P62.9Low52.5Low125 Ų125111.1 Ų111.181%0.81278%0.781SS**PPolyproline II helixtrans-70.7148.2-177.729.7-35.5000112.6
402P64.4Low52.1Low114 Ų114112.8 Ų112.874%0.7478%0.779SS**PPolyproline II helixtrans-73.4152.5175.731.3-35.4000112.2
403P64.5Low51.5Low119 Ų119113.6 Ų113.677%0.77378%0.78SS**PPolyproline II helixtrans-70.6152.9175.830.1-35.3000112.5
404P61.5Low50.5Low117 Ų117114.6 Ų114.676%0.7678%0.784SS**PPolyproline II helixtrans-75.3153.1-177.631.2-36000113.2
405P52.7Low49Very low128 Ų128114.1 Ų114.183%0.83178%0.784SS**PPolyproline II helixtrans-78.4148.8177.232.8-35.2000112.6
406V53.2Low47.4Very low136 Ų136119.2 Ų119.282%0.82479%0.789SS**  trans-104.4145.2170.5-70.30000111.2
407P44.6Very low46.3Very low129 Ų129122.5 Ų122.584%0.83879%0.791SS**  trans-81.9169.6-17233.4-36.7000114.2
408A35.6Very low45.1Very low111 Ų111128 Ų12892%0.91780%0.801SS**  trans-77.7154.1-17100000115.2
409G30.3Very low43.4Very low81 Ų81127.3 Ų127.384%0.83580%0.799SS**  trans-157.9135.4166.900000109.9
410A31.1Very low41.9Very low94 Ų94126.8 Ų126.878%0.77780%0.798SS**  trans-108.8155.7-172.500000112.4
411S31.9Very low40.5Very low95 Ų95128.3 Ų128.366%0.66481%0.805SS**  159.6163.1119.9-70.40000113.6
412H33.1Very low39Very low173 Ų173127.3 Ų127.380%0.80181%0.806SS**  trans69.8125.3167.4-54.1-63.2000117.6
413S30.6Very low37.5Very low101 Ų101132.1 Ų132.171%0.70682%0.816SS**  cis105.3101.417.378.30000115.2
414T32.1Very low36Very low137 Ų137131.2 Ų131.284%0.8482%0.819SS**  trans-139.8157.4157.339.50000109.5
415S29.5Very low34.7Very low105 Ų105134.9 Ų134.973%0.73483%0.826SS**  trans-143.1146.1-165.459.30000113.2
416Y32.8Very low33.9Very low225 Ų225137 Ų13788%0.88283%0.83SS**  trans-138.2148.4170.1-64.4-74.2000110.7
417K34.2Very low33Very low197 Ų197134.5 Ų134.586%0.85782%0.823SS**  trans-102.1146.3-177.4-55.4170.8-177.2174.20108.4
418M32.9Very low33Very low181 Ų181133.6 Ų133.689%0.89283%0.827SS**  172.8168.880.7-98.1-167177.600108
419S31.3Very low33.5Very low111 Ų111134.5 Ų134.578%0.77682%0.821SS**  cis-133.1-143.1-7.252.40000107.3
420S28.9Very low34.6Very low117 Ų117137.5 Ų137.582%0.81882%0.818SS**  cis-148175.3-2.4-1700000107.8
421A32.7Very low36.1Very low99 Ų99139.8 Ų139.882%0.81882%0.817SS**  trans-122.2146.4-168.700000115.5
422A31.2Very low37.9Very low103 Ų103139.2 Ų139.285%0.85182%0.817SS**  trans-140.9147.8157.600000109.1
423K33.5Very low39.5Very low215 Ų215140.1 Ų140.194%0.93581%0.814SS**  trans-86.7148.2-178.9-67.6179.2179.3177.20111.3
424A33.2Very low41.6Very low101 Ų101138.5 Ų138.584%0.83580%0.802SS**  trans-122.7149161.400000109.3
425E33.5Very low43.3Very low194 Ų194137.5 Ų137.591%0.90779%0.792SS**  trans-98.3142.1-171.7-166.1162.6-154.400111A427E425-A427 PolarHBondContact O-N 3.5Å
426N35.2Very low45.6Very low173 Ų173137.7 Ų137.793%0.92578%0.784SS**  trans-87.4110.4-170.8-92.4-40.8000112.3
427A34.5Very low47.6Very low82 Ų82130.8 Ų130.868%0.67876%0.762SS**  trans-135.5126.9165.700000111.6E425 V429E425-A427 PolarHBondContact O-N 3.5Å; A427-V429 PolarHBondContact O-N 2.9Å
428A45.8Very low49.3Very low110 Ų110123 Ų12391%0.90974%0.735SS**  trans46.957.8158.100000119.3
429V45.9Very low51.1Low131 Ų131116.4 Ų116.479%0.79471%0.709SS**  trans-120.858.6166.5-164.30000111.7A427A427-V429 PolarHBondContact O-N 2.9Å
430N53.3Low52.9Low144 Ų144116.4 Ų116.477%0.7770%0.699SS**  trans-112.6-11-177.7-102.7-13.7000115.3S434N430-S434 WeakPolarHBondContact O-CB 3.4Å
431D61.7Low54.9Low142 Ų142119.2 Ų119.276%0.75969%0.692SS**Hα-helixtrans-82.8-74.1-170.7-14534.3000111.7R433 S434 D435D431-R433 PolarHBondContact O-N 3.32Å; D431-S434 WeakPolarHBondContact O-CA 3.47Å; D431-S434 WeakPolarHBondContact O-CB 3.47Å; D431-S434 PolarHBondContact O-N 3.32Å; D431-D435 PolarHBondContact O-N 3.18Å
432A69.6Low56.4Low82 Ų82122.2 Ų122.268%0.67869%0.691SS**Hα-helixtrans-55.2-29.9-174.700000115.5L436A432-L436 WeakPolarHBondContact O-CB 3.29Å; A432-L436 PolarHBondContact O-N 3.31Å
433R67.5Low57.3Low193 Ų193119.7 Ų119.773%0.72867%0.674SS**Hα-helixtrans-79.2-34.1176.1-171.2176.8-179.2-175.10.5112.5D431 L437D431-R433 PolarHBondContact O-N 3.32Å; R433-L437 HydrophobicContact CG-CD1 4.43Å; R433-L437 VanDerWaalsContact O-CG 3.3Å; R433-L437 WeakPolarHBondContact O-CG 3.35Å; R433-L437 PolarHBondContact O-N 3.47Å
434S73.7Confident58.3Low66 Ų66115.8 Ų115.846%0.46266%0.662SS.*Hα-helixtrans-66.2-44.7172.1-173.20000109.9N430 D431 L437 A438N430-S434 WeakPolarHBondContact O-CB 3.4Å; D431-S434 WeakPolarHBondContact O-CA 3.47Å; D431-S434 WeakPolarHBondContact O-CB 3.47Å; D431-S434 PolarHBondContact O-N 3.32Å; S434-L437 CarbonylContact O-C 3.54Å; S434-L437 PolarHBondContact O-N 2.85Å; S434-A438 PolarHBondContact O-N 3.25Å
435D69.2Low59.4Low117 Ų117119.9 Ų119.963%0.62666%0.664SS**Hα-helixtrans-65.5-43.1-178.5-143.135.8000112.1D431 L437 A438 A439D431-D435 PolarHBondContact O-N 3.18Å; D435-L437 VanDerWaalsContact C-N 3.34Å; D435-L437 PolarHBondContact O-N 2.87Å; D435-A438 WeakPolarHBondContact O-CB 3.3Å; D435-A438 PolarHBondContact O-N 3.01Å; D435-A438 VanDerWaalsContact O-N 3.14Å; D435-A439 WeakPolarHBondContact O-CB 3.34Å; D435-A439 PolarHBondContact O-N 3.46Å
436L76.3Confident59.9Low108 Ų108118.4 Ų118.457%0.56566%0.662SS**Hα-helixtrans-58.9-43.1171.3178.261000112.2A432 A438 A439 I440A432-L436 WeakPolarHBondContact O-CB 3.29Å; A432-L436 PolarHBondContact O-N 3.31Å; L436-A438 VanDerWaalsContact C-N 3.33Å; L436-A439 PolarHBondContact O-N 3.47Å; L436-I440 HydrophobicContact CD1-CD1 4.1Å; L436-I440 HydrophobicContact CD1-CG1 4.46Å; L436-I440 HydrophobicContact CG-CD1 4.02Å; L436-I440 WeakPolarHBondContact O-CD1 3.44Å; L436-I440 VanDerWaalsContact O-CG1 3.25Å; L436-I440 WeakPolarHBondContact O-CG1 3.48Å; L436-I440 PolarHBondContact O-N 3.28Å
437L74.9Confident60.9Low80 Ų80118.7 Ų118.742%0.41966%0.655SS.*Hα-helixtrans-71.2-28.7176.9-69.4170.6000112.1R433 S434 D435 R441R433-L437 HydrophobicContact CG-CD1 4.43Å; R433-L437 VanDerWaalsContact O-CG 3.3Å; R433-L437 WeakPolarHBondContact O-CG 3.35Å; R433-L437 PolarHBondContact O-N 3.47Å; S434-L437 CarbonylContact O-C 3.54Å; S434-L437 PolarHBondContact O-N 2.85Å; D435-L437 VanDerWaalsContact C-N 3.34Å; D435-L437 PolarHBondContact O-N 2.87Å; L437-R441 WeakPolarHBondContact O-CB 3.43Å; L437-R441 WeakPolarHBondContact O-CG 3.3Å; L437-R441 PolarHBondContact O-N 3.39Å; L437-R441 VanDerWaalsContact O-N 3.16Å; L437-R441 PolarHBondContact O-NE 2.94Å; L437-R441 PolarHBondContact O-NH2 3.22Å
438A71.1Confident61.8Low35 Ų35123 Ų12329%0.28966%0.658SS.*Hα-helixtrans-68.2-47.3170.600000111.1S434 D435 L436 I440 R441 M442S434-A438 PolarHBondContact O-N 3.25Å; D435-A438 WeakPolarHBondContact O-CB 3.3Å; D435-A438 PolarHBondContact O-N 3.01Å; D435-A438 VanDerWaalsContact O-N 3.14Å; L436-A438 VanDerWaalsContact C-N 3.33Å; A438-I440 VanDerWaalsContact C-N 3.34Å; A438-I440 PolarHBondContact O-N 3.34Å; A438-R441 CarbonylContact O-C 3.56Å; A438-R441 PolarHBondContact O-N 3.37Å; A438-M442 WeakPolarHBondContact O-CG 3.26Å; A438-M442 PolarHBondContact O-N 3.45Å
439A70.1Confident62Low42 Ų42123.3 Ų123.335%0.34765%0.649SS.*Hα-helixtrans-59.5-40.7175.900000112.7D435 L436 R441 M442 G443D435-A439 WeakPolarHBondContact O-CB 3.34Å; D435-A439 PolarHBondContact O-N 3.46Å; L436-A439 PolarHBondContact O-N 3.47Å; A439-R441 VanDerWaalsContact C-N 3.35Å; A439-M442 PolarHBondContact O-N 3.01Å; A439-G443 PolarHBondContact O-N 2.89Å
440I69.8Low62.2Low111 Ų111123.6 Ų123.657%0.56964%0.641SS**Hα-helixtrans-63.6-38.7173.6-70.4165000111.6L436 A438L436-I440 HydrophobicContact CD1-CD1 4.1Å; L436-I440 HydrophobicContact CD1-CG1 4.46Å; L436-I440 HydrophobicContact CG-CD1 4.02Å; L436-I440 WeakPolarHBondContact O-CD1 3.44Å; L436-I440 VanDerWaalsContact O-CG1 3.25Å; L436-I440 WeakPolarHBondContact O-CG1 3.48Å; L436-I440 PolarHBondContact O-N 3.28Å; A438-I440 VanDerWaalsContact C-N 3.34Å; A438-I440 PolarHBondContact O-N 3.34Å
441R69.6Low62.2Low176 Ų176122.5 Ų122.566%0.66463%0.632SS**Hα-helixtrans-75-26177.2-76.7173.7-70-1562.7113.9L437 A438 A439L437-R441 WeakPolarHBondContact O-CB 3.43Å; L437-R441 WeakPolarHBondContact O-CG 3.3Å; L437-R441 PolarHBondContact O-N 3.39Å; L437-R441 VanDerWaalsContact O-N 3.16Å; L437-R441 PolarHBondContact O-NE 2.94Å; L437-R441 PolarHBondContact O-NH2 3.22Å; A438-R441 CarbonylContact O-C 3.56Å; A438-R441 PolarHBondContact O-N 3.37Å; A439-R441 VanDerWaalsContact C-N 3.35Å
442M64.3Low61.4Low162 Ų162122.5 Ų122.580%0.79863%0.627SS**Hα-helixtrans-84.1-26.9176.4-68.9-75.292.700113.2A438 A439A438-M442 WeakPolarHBondContact O-CG 3.26Å; A438-M442 PolarHBondContact O-N 3.45Å; A439-M442 PolarHBondContact O-N 3.01Å
443G50.1Low60.7Low49 Ų49125 Ų12551%0.50562%0.624SS.*  trans81.2122.9179.300000112.8A439 Q445A439-G443 PolarHBondContact O-N 2.89Å; G443-Q445 PolarHBondContact O-N 3.13Å
444I56.2Low60.2Low133 Ų133120.8 Ų120.868%0.68261%0.613SS**  trans-81.1106.3-177.5-58.1175.3000109.9L446I444-L446 HydrophobicContact CG2-CD2 4.29Å; I444-L446 PolarHBondContact O-N 2.91Å
445Q55.2Low59Low188 Ų188123.7 Ų123.788%0.87962%0.62SS**  trans-70.6113.2162.1-69.6-166.5900109.6G443 K447G443-Q445 PolarHBondContact O-N 3.13Å; Q445-K447 PolarHBondContact O-N 3.28Å
446L45Very low58.1Low162 Ų162124.8 Ų124.885%0.84862%0.621SS**  trans-69.697.2-179.7-67.5171.9000111.2I444I444-L446 HydrophobicContact CG2-CD2 4.29Å; I444-L446 PolarHBondContact O-N 2.91Å
447K56Low57Low180 Ų180122.9 Ų122.978%0.78362%0.62SS**  trans-60.5136.4163.8-108.9-171.5174.7-168.20109.6Q445 V449Q445-K447 PolarHBondContact O-N 3.28Å; K447-V449 PolarHBondContact O-N 3.25Å
448K53.2Low55.8Low171 Ų171127.5 Ų127.574%0.74364%0.637SS**  trans-56.4123.3-177.4-91-177171.7-178.20111.8Q450K448-Q450 PolarHBondContact O-N 2.93Å
449V49.2Very low54.7Low118 Ų118136.7 Ų136.772%0.71567%0.665SS**THydrogen-bonded Turntrans-54.6-22.6178.4178.50000113.7K447 E451 Q452K447-V449 PolarHBondContact O-N 3.25Å; V449-E451 VanDerWaalsContact C-N 3.26Å; V449-E451 PolarHBondContact O-N 3.24Å; V449-E451 VanDerWaalsContact O-N 3.15Å; V449-Q452 PolarHBondContact O-N 2.77Å; V449-Q452 VanDerWaalsContact O-N 3.15Å
450Q51.3Low53.3Low136 Ų136141.9 Ų141.964%0.63668%0.682SS**Hα-helixtrans-54.8-32.5-175.3-161.3166.37.600114.5K448 E454K448-Q450 PolarHBondContact O-N 2.93Å; Q450-E454 PolarHBondContact O-N 2.89Å
451E52.9Low52.4Low122 Ų122142 Ų14257%0.5769%0.689SS**Hα-helixtrans-70.8-33.4-179.5-172.6170.8-161.700112.9V449 Q455V449-E451 VanDerWaalsContact C-N 3.26Å; V449-E451 PolarHBondContact O-N 3.24Å; V449-E451 VanDerWaalsContact O-N 3.15Å; E451-Q455 PolarHBondContact O-N 3.28Å
452Q44.2Very low51.8Low141 Ų141138 Ų13866%0.65968%0.684SS**Hα-helixtrans-76.4-32.8-178.7-162.3171.451.800111.8V449 Q455 Q456V449-Q452 PolarHBondContact O-N 2.77Å; V449-Q452 VanDerWaalsContact O-N 3.15Å; Q452-Q455 PolarHBondContact O-N 2.93Å; Q452-Q456 PolarHBondContact O-N 2.89Å
453Q54.3Low51.4Low134 Ų134131.9 Ų131.963%0.62666%0.663SS**Hα-helixtrans-69.9-36.4175.8-161.5174.639.100112Q455 Q456 A457Q453-Q455 VanDerWaalsContact C-N 3.32Å; Q453-Q455 PolarHBondContact O-N 3.44Å; Q453-Q456 PolarHBondContact O-N 3.48Å; Q453-A457 PolarHBondContact O-N 2.85Å
454E57.5Low52.2Low105 Ų105133.9 Ų133.949%0.49166%0.662SS.*Hα-helixtrans-67.3-31.2174.9-174.5166.6-159.400112.7Q450 K458Q450-E454 PolarHBondContact O-N 2.89Å; E454-K458 PolarHBondContact O-N 2.99Å
455Q48Very low53Low128 Ų128131 Ų13160%0.59865%0.648SS**Hα-helixtrans-71.7-34.5174.6-68.3-175.830.800112.8E451 Q452 Q453 K458E451-Q455 PolarHBondContact O-N 3.28Å; Q452-Q455 PolarHBondContact O-N 2.93Å; Q453-Q455 VanDerWaalsContact C-N 3.32Å; Q453-Q455 PolarHBondContact O-N 3.44Å; Q455-K458 PolarHBondContact O-N 3.37Å
456Q51.4Low53.7Low140 Ų140125 Ų12565%0.65462%0.623SS**Hα-helixtrans-68.2-42.1172.1-71.9-177.8-13.100111.7Q452 Q453 K458 R459 E460Q452-Q456 PolarHBondContact O-N 2.89Å; Q453-Q456 PolarHBondContact O-N 3.48Å; Q456-K458 PolarHBondContact O-N 3.2Å; Q456-K458 VanDerWaalsContact O-N 3.1Å; Q456-R459 PolarHBondContact O-N 2.88Å; Q456-E460 PolarHBondContact O-N 3.22Å
457A53.7Low55.1Low67 Ų67118.1 Ų118.155%0.55459%0.59SS**THydrogen-bonded Turntrans-63.9-13.1176.600000114.7Q453Q453-A457 PolarHBondContact O-N 2.85Å
458K49.8Very low56.1Low177 Ų177111.7 Ų111.777%0.7757%0.566SS**THydrogen-bonded Turntrans-89.1-10.2169.6-84.3-175.9175.4176.30114.3E454 Q455 Q456E454-K458 PolarHBondContact O-N 2.99Å; Q455-K458 PolarHBondContact O-N 3.37Å; Q456-K458 PolarHBondContact O-N 3.2Å; Q456-K458 VanDerWaalsContact O-N 3.1Å
459R46.9Very low57.3Low229 Ų229107.7 Ų107.786%0.86455%0.552SS**THydrogen-bonded Turntrans-113.2-10.3-173.5-130.9-177.5-171.9-166.42.1113.7Q456Q456-R459 PolarHBondContact O-N 2.88Å
460E41Very low58.7Low151 Ų151103.9 Ų103.971%0.70653%0.528SS*.SBendtrans-64.2134.7172.2-164.1167.3-148.600110Q456Q456-E460 PolarHBondContact O-N 3.22Å
461P50Low59.8Low112 Ų11299.9 Ų99.973%0.72752%0.515SS*.  trans-61.5164.2172.927.8-35.5000110.6G463P461-G463 VanDerWaalsContact C-N 3.32Å; P461-G463 PolarHBondContact O-N 2.83Å
462V58.5Low61Low93 Ų93100.4 Ų100.456%0.56451%0.511SS*.  trans-65.290.7-179.6-178.70000110.5R472V462-R472 VanDerWaalsContact CG1-CZ 3.5Å
463G55.6Low62.6Low33 Ų33102 Ų10234%0.3451%0.511SS..  trans-70.1130.9175.400000111P461 D465 T468P461-G463 VanDerWaalsContact C-N 3.32Å; P461-G463 PolarHBondContact O-N 2.83Å; G463-D465 PolarHBondContact O-N 3.04Å; G463-T468 WeakPolarHBondContact O-CG2 3.23Å
464N65.6Low63.4Low91 Ų9196.9 Ų96.949%0.48749%0.488SS..  trans-77.735.4169.9-72.71.2000111.8Q107Q107-N464 VanDerWaalsContact CD-ND2 3.34Å; Q107-N464 PolarHBondContact NE2-ND2 3.43Å; Q107-N464 VanDerWaalsContact NE2-ND2 3.18Å; Q107-N464 PolarHBondContact OE1-ND2 3.1Å
465D74Confident64Low74 Ų7494.5 Ų94.540%0.39649%0.486SS..  trans-75.1146.2170.516462.4000110.5G463 A467 T468 I469G463-D465 PolarHBondContact O-N 3.04Å; D465-A467 PolarHBondContact O-N 3.2Å; D465-A467 WeakPolarHBondContact OD2-CA 3.36Å; D465-A467 VanDerWaalsContact OD2-CB 3.28Å; D465-A467 WeakPolarHBondContact OD2-CB 3.46Å; D465-A467 PolarHBondContact OD2-N 2.9Å; D465-T468 WeakPolarHBondContact O-CB 3.34Å; D465-T468 PolarHBondContact O-N 3.4Å; D465-T468 PolarHBondContact OD2-N 3.36Å; D465-T468 VanDerWaalsContact OD2-N 3.11Å; D465-I469 VanDerWaalsContact O-CG1 3.31Å; D465-I469 WeakPolarHBondContact O-CG1 3.39Å; D465-I469 PolarHBondContact O-N 2.95Å
466V70.1Confident65.2Low60 Ų6093.4 Ų93.436%0.36449%0.488SS..Hα-helixtrans-65.2-38.4-175.2-171.90000111.7W161 T468 I469 L470W161-V466 HydrophobicContact CH2-CB 3.67Å; W161-V466 HydrophobicContact CH2-CG1 4.24Å; W161-V466 HydrophobicContact CH2-CG2 3.82Å; W161-V466 HydrophobicContact CZ3-CB 4.33Å; W161-V466 HydrophobicContact CZ3-CG1 4.44Å; W161-V466 HydrophobicContact CZ3-CG2 4.4Å; V466-T468 VanDerWaalsContact C-N 3.31Å; V466-T468 PolarHBondContact O-N 3.06Å; V466-I469 PolarHBondContact O-N 3.15Å; V466-L470 HydrophobicContact CG1-CD1 3.95Å; V466-L470 HydrophobicContact CG1-CG 4.28Å; V466-L470 WeakPolarHBondContact O-CB 3.46Å; V466-L470 WeakPolarHBondContact O-CG 3.5Å; V466-L470 PolarHBondContact O-N 3.48Å
467A73.1Confident65.7Low18 Ų1892.2 Ų92.215%0.14948%0.482CS..Hα-helixtrans-68.3-33.6177.100000111.4M165 D465 S471M165-A467 HydrophobicContact CB-CB 4.37Å; M165-A467 HydrophobicContact CG-CB 4.3Å; M165-A467 HydrophobicContact SD-CB 3.85Å; D465-A467 PolarHBondContact O-N 3.2Å; D465-A467 WeakPolarHBondContact OD2-CA 3.36Å; D465-A467 VanDerWaalsContact OD2-CB 3.28Å; D465-A467 WeakPolarHBondContact OD2-CB 3.46Å; D465-A467 PolarHBondContact OD2-N 2.9Å; A467-S471 VanDerWaalsContact O-CB 3.23Å; A467-S471 WeakPolarHBondContact O-CB 3.48Å; A467-S471 PolarHBondContact O-N 2.88Å; A467-S471 PolarHBondContact O-OG 2.68Å
468T78Confident65.7Low45 Ų4594.4 Ų94.428%0.27648%0.477SS..Hα-helixtrans-67.2-41.5171.1-64.10000112.2G463 D465 V466 R472G463-T468 WeakPolarHBondContact O-CG2 3.23Å; D465-T468 WeakPolarHBondContact O-CB 3.34Å; D465-T468 PolarHBondContact O-N 3.4Å; D465-T468 PolarHBondContact OD2-N 3.36Å; D465-T468 VanDerWaalsContact OD2-N 3.11Å; V466-T468 VanDerWaalsContact C-N 3.31Å; V466-T468 PolarHBondContact O-N 3.06Å; T468-R472 WeakPolarHBondContact O-CB 3.25Å; T468-R472 WeakPolarHBondContact O-CD 3.36Å; T468-R472 VanDerWaalsContact O-CG 3.25Å; T468-R472 WeakPolarHBondContact O-CG 3.34Å; T468-R472 PolarHBondContact O-N 3.46Å
469I78.6Confident65.9Low87 Ų8790.2 Ų90.245%0.44647%0.47SS..Hα-helixtrans-66.1-44.9176.8-68.2163.1000111.1D465 V466 R472 R473D465-I469 VanDerWaalsContact O-CG1 3.31Å; D465-I469 WeakPolarHBondContact O-CG1 3.39Å; D465-I469 PolarHBondContact O-N 2.95Å; V466-I469 PolarHBondContact O-N 3.15Å; I469-R472 PolarHBondContact O-N 2.84Å; I469-R473 PolarHBondContact O-N 3.17Å
470L77.8Confident65.9Low39 Ų3986.8 Ų86.820%0.20447%0.469CS..Hα-helixtrans-60.7-48.4174.9-72.9166000111.5M165 L166 V466 R472 R473 I474M165-L470 HydrophobicContact CB-CD1 4.43Å; L166-L470 HydrophobicContact CD1-CD1 3.58Å; L166-L470 HydrophobicContact CD1-CD2 3.96Å; L166-L470 HydrophobicContact CD1-CG 4.41Å; L166-L470 HydrophobicContact CG-CD1 4.42Å; L166-L470 HydrophobicContact CG-CD2 4.41Å; V466-L470 HydrophobicContact CG1-CD1 3.95Å; V466-L470 HydrophobicContact CG1-CG 4.28Å; V466-L470 WeakPolarHBondContact O-CB 3.46Å; V466-L470 WeakPolarHBondContact O-CG 3.5Å; V466-L470 PolarHBondContact O-N 3.48Å; L470-R472 VanDerWaalsContact C-N 3.25Å; L470-R472 PolarHBondContact O-N 3.46Å; L470-R473 PolarHBondContact O-N 3.01Å; L470-I474 WeakPolarHBondContact O-CG1 3.3Å; L470-I474 PolarHBondContact O-N 3.07Å; L470-I474 VanDerWaalsContact O-N 3.1Å
471S74.6Confident66.1Low52 Ų5282.5 Ų82.536%0.36446%0.455SS..Hα-helixtrans-56-40.2176-67.60000112.4A467 A475A467-S471 VanDerWaalsContact O-CB 3.23Å; A467-S471 WeakPolarHBondContact O-CB 3.48Å; A467-S471 PolarHBondContact O-N 2.88Å; A467-S471 PolarHBondContact O-OG 2.68Å; S471-A475 VanDerWaalsContact O-CB 3.27Å; S471-A475 WeakPolarHBondContact O-CB 3.48Å; S471-A475 PolarHBondContact O-N 2.8Å
472R78Confident65.9Low132 Ų13282.6 Ų82.650%0.49845%0.446SS..Hα-helixtrans-70.4-48.9177.6-75.5166.8177.8-102.1-10.6112.3V462 T468 I469 L470 I474 A475 V476V462-R472 VanDerWaalsContact CG1-CZ 3.5Å; T468-R472 WeakPolarHBondContact O-CB 3.25Å; T468-R472 WeakPolarHBondContact O-CD 3.36Å; T468-R472 VanDerWaalsContact O-CG 3.25Å; T468-R472 WeakPolarHBondContact O-CG 3.34Å; T468-R472 PolarHBondContact O-N 3.46Å; I469-R472 PolarHBondContact O-N 2.84Å; L470-R472 VanDerWaalsContact C-N 3.25Å; L470-R472 PolarHBondContact O-N 3.46Å; R472-I474 PolarHBondContact O-N 3.16Å; R472-A475 PolarHBondContact O-N 3.4Å; R472-V476 WeakPolarHBondContact O-CG2 3.41Å; R472-V476 PolarHBondContact O-N 2.8Å
473R78.6Confident65.1Low174 Ų17485.3 Ų85.366%0.65746%0.458SS*.Hα-helixtrans-58-50.2-177.4-178.1173177.2151.43111.1I469 L470 A475 V476 E477I469-R473 PolarHBondContact O-N 3.17Å; L470-R473 PolarHBondContact O-N 3.01Å; R473-A475 VanDerWaalsContact C-N 3.31Å; R473-A475 PolarHBondContact O-N 2.9Å; R473-V476 PolarHBondContact O-N 2.87Å; R473-E477 WeakPolarHBondContact O-CB 3.28Å; R473-E477 PolarHBondContact O-N 3.14Å
474I71.7Confident64.5Low28 Ų2891.1 Ų91.114%0.14448%0.481CS..Hα-helixtrans-67.4-33.3-179.1-54.4164.7000111T169 L470 R472 V476 E477 Y478T169-I474 HydrophobicContact CG2-CD1 4.19Å; L470-I474 WeakPolarHBondContact O-CG1 3.3Å; L470-I474 PolarHBondContact O-N 3.07Å; L470-I474 VanDerWaalsContact O-N 3.1Å; R472-I474 PolarHBondContact O-N 3.16Å; I474-V476 VanDerWaalsContact C-N 3.34Å; I474-V476 PolarHBondContact O-N 2.98Å; I474-E477 PolarHBondContact O-N 3.48Å; I474-Y478 HydrophobicContact CG2-CD2 3.73Å; I474-Y478 HydrophobicContact CG2-CE2 3.73Å; I474-Y478 WeakPolarHBondContact O-CD2 3.18Å; I474-Y478 PolarHBondContact O-N 3.18Å
475A69.4Low63.6Low54 Ų5491.6 Ų91.645%0.44649%0.491SS..Hα-helixtrans-66-33.8175.300000113.2S471 R472 R473 S479S471-A475 VanDerWaalsContact O-CB 3.27Å; S471-A475 WeakPolarHBondContact O-CB 3.48Å; S471-A475 PolarHBondContact O-N 2.8Å; R472-A475 PolarHBondContact O-N 3.4Å; R473-A475 VanDerWaalsContact C-N 3.31Å; R473-A475 PolarHBondContact O-N 2.9Å; A475-S479 PolarHBondContact O-N 3.47Å; A475-S479 PolarHBondContact O-OG 2.64Å
476V73.3Confident62.3Low105 Ų10596.8 Ų96.864%0.63651%0.513SS*.Hα-helixtrans-73.2-45.9174.21740000110.9R472 R473 I474 Y478 S479R472-V476 WeakPolarHBondContact O-CG2 3.41Å; R472-V476 PolarHBondContact O-N 2.8Å; R473-V476 PolarHBondContact O-N 2.87Å; I474-V476 VanDerWaalsContact C-N 3.34Å; I474-V476 PolarHBondContact O-N 2.98Å; V476-Y478 PolarHBondContact O-N 3.24Å; V476-Y478 VanDerWaalsContact O-N 3.16Å; V476-S479 WeakPolarHBondContact O-CB 3.18Å; V476-S479 PolarHBondContact O-N 3.42Å
477E61.4Low60.9Low115 Ų115102 Ų10254%0.53754%0.538SS..Hα-helixtrans-60.6-25.8-175.5-163.8159-154.700113.7R473 I474R473-E477 WeakPolarHBondContact O-CB 3.28Å; R473-E477 PolarHBondContact O-N 3.14Å; I474-E477 PolarHBondContact O-N 3.48Å
478Y53.5Low59.6Low114 Ų114110.7 Ų110.745%0.44758%0.576SS.*THydrogen-bonded Turntrans-101.4-2.3171.6-71.4-76.4000114.8I474 V476I474-Y478 HydrophobicContact CG2-CD2 3.73Å; I474-Y478 HydrophobicContact CG2-CE2 3.73Å; I474-Y478 WeakPolarHBondContact O-CD2 3.18Å; I474-Y478 PolarHBondContact O-N 3.18Å; V476-Y478 PolarHBondContact O-N 3.24Å; V476-Y478 VanDerWaalsContact O-N 3.16Å
479S54.3Low58.1Low89 Ų89117.8 Ų117.862%0.62261%0.606SS**THydrogen-bonded Turntrans-77.6-27171.8-64.50000111.8A475 V476 S481A475-S479 PolarHBondContact O-N 3.47Å; A475-S479 PolarHBondContact O-OG 2.64Å; V476-S479 WeakPolarHBondContact O-CB 3.18Å; V476-S479 PolarHBondContact O-N 3.42Å; S479-S481 VanDerWaalsContact C-N 3.28Å
480D46.9Very low56.3Low156 Ų156121.2 Ų121.283%0.83463%0.625SS**SBendtrans-79.6-6.8175-117.715.9000112.9
481S45.1Very low54.3Low61 Ų61130.7 Ų130.743%0.42768%0.676SS.*SBendtrans-123.79.9-168.986.90000115.1S479S479-S481 VanDerWaalsContact C-N 3.28Å
482E46.2Very low53.3Low115 Ų115134.6 Ų134.654%0.53769%0.691SS.*SBendtrans-114.7-0.5176-76.3-168.2167.500113.2R177R177-E482 IonicContact CZ-OE1 3.9Å; R177-E482 IonicContact NE-OE1 3.37Å; R177-E482 IonicContact NH2-OE1 3.03Å; R177-E482 PolarHBondContact NH2-OE1 3.4Å
483D41.4Very low52Low149 Ų149134.7 Ų134.780%0.79770%0.702SS**SBendtrans-97.4-27.9-179.2-148.644.4000113S485D483-S485 VanDerWaalsContact C-N 3.31Å; D483-S485 PolarHBondContact O-N 3.45Å
484D43.7Very low50.5Low156 Ų156132.6 Ų132.683%0.83470%0.704SS**THydrogen-bonded Turntrans-92.733.6-171.3-151.726.8000112.7
485S45.3Very low49.3Very low101 Ų101138.7 Ų138.771%0.70674%0.737SS**THydrogen-bonded Turntrans-150.35.9-170.2-63.40000117.1D483D483-S485 VanDerWaalsContact C-N 3.31Å; D483-S485 PolarHBondContact O-N 3.45Å
486E46.5Very low48Very low183 Ų183144 Ų14486%0.85576%0.755SS**SBendtrans-106.216.6176.2-73.1-161165.400114.2
487L41.2Very low46.3Very low170 Ų170146.6 Ų146.689%0.8976%0.763SS**SBendtrans-124.210.7-168.3-71.3-179.7000118
488E46Very low45.2Very low199 Ų199148.9 Ų148.993%0.9378%0.779SS**SBendtrans-137.352.3-179.1-153.8169.6-115.800114.6
489E46.8Very low44.6Very low194 Ų194151.5 Ų151.591%0.90781%0.805SS**  trans-146.760.2164.2-162178.6-158.100112.4
490N40Very low43.8Very low159 Ų159156.8 Ų156.885%0.8582%0.82SS**  trans-160.886.8159.6-167.9107.5000112.9
491D36.5Very low43.5Very low238 Ų238156.8 Ų156.8100%1.27382%0.819SS**  trans-149.10149.4-140.92.2000108.6

Retrieved 491 of 491 residues in 195.1 ms (Link to these results)