A0A093I051_STRCA 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 A0A093I051, Species STRCA (Struthio camelus australis), Gene n/a, Length 502 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
1M43.8Very low72.2Confident208 Ų208111.5 Ų111.5100%1.02556%0.558SS**  0125.40-80.6178.366.300108.7L3M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 HydrophobicContact CE-CD2 4.46Å; M1-L3 PolarHBondContact O-N 3.44Å; M1-L3 VanDerWaalsContact O-N 3.09Å
2P48.8Very low73.6Confident127 Ų127110.3 Ų110.383%0.82555%0.549SS*.  trans-81.390.6170.332.8-25000106.8V4P2-V4 PolarHBondContact O-N 2.62Å; P2-V4 VanDerWaalsContact O-N 3.1Å
3L55.1Low74.7Confident109 Ų109106 Ų10657%0.57153%0.529SS*.  trans-65110.2162.8-71.7162.2000105.2M1 K5M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 HydrophobicContact CE-CD2 4.46Å; M1-L3 PolarHBondContact O-N 3.44Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-K5 WeakPolarHBondContact O-CG 3.45Å; L3-K5 PolarHBondContact O-N 3.37Å
4V57.8Low75.3Confident125 Ų125104.2 Ų104.276%0.75853%0.53SS*.  trans-64.1106.1169.8175.90000105.9P2P2-V4 PolarHBondContact O-N 2.62Å; P2-V4 VanDerWaalsContact O-N 3.1Å
5K65.2Low75.8Confident103 Ų103111.1 Ų111.145%0.44855%0.547SS..  trans-78.6-19.8-157.2-80.9-178.4-179.9178.30114.9L3 P118 P120 V121L3-K5 WeakPolarHBondContact O-CG 3.45Å; L3-K5 PolarHBondContact O-N 3.37Å; K5-P118 HydrophobicContact CD-CG 4.49Å; K5-P120 WeakPolarHBondContact O-CB 3.47Å; K5-V121 HydrophobicContact CG-CG2 4.41Å
6R80.8Confident76Confident43 Ų43108.3 Ų108.316%0.16256%0.555CS.*  trans-135.9110.5-165.1-70.5-176.3138.896.112.2111.1H47 D50 E54 P120R6-H47 WeakPolarHBondContact CD-ND1 3.32Å; R6-H47 WeakPolarHBondContact CG-ND1 3.19Å; R6-H47 PolarHBondContact NE-ND1 3.43Å; R6-D50 IonicContact CZ-OD2 2.95Å; R6-D50 IonicContact NE-OD2 2.89Å; R6-D50 IonicContact NH2-OD2 2.59Å; R6-D50 PolarHBondContact NH2-OD2 3.42Å; R6-E54 IonicContact CZ-OE1 3.08Å; R6-E54 IonicContact NH1-OE1 2.81Å; R6-E54 PolarHBondContact NH1-OE1 2.85Å; R6-E54 VanDerWaalsContact NH1-OE1 3.1Å; R6-E54 IonicContact NH2-OE1 3.05Å; R6-E54 PolarHBondContact NH2-OE1 3.47Å; R6-E54 VanDerWaalsContact NH2-OE1 3.13Å; R6-P120 HydrophobicContact CG-CB 4Å; R6-P120 HydrophobicContact CG-CG 3.76Å
7N85.1Confident76.3Confident93 Ų93107.9 Ų107.950%0.49757%0.573SS.*  trans-90.6125.3176.4-70.4-30000109.6H47N7-H47 PolarHBondContact O-NE2 3Å
8I89.4Confident76.8Confident51 Ų51105.2 Ų105.226%0.26256%0.558SS.*  trans-87.3128.4173.6-45.3-55.7000109Q40 L44 H47I8-Q40 HydrophobicContact CB-CG 4.43Å; I8-Q40 HydrophobicContact CG2-CB 4.44Å; I8-Q40 HydrophobicContact CG2-CG 3.39Å; I8-Q40 VanDerWaalsContact CG2-O 3.29Å; I8-Q40 WeakPolarHBondContact CG2-O 3.22Å; I8-L44 HydrophobicContact CD1-CB 4.39Å; I8-L44 HydrophobicContact CD1-CD1 3.95Å; I8-L44 HydrophobicContact CG2-CB 4.38Å; I8-H47 HydrophobicContact CD1-CB 4.48Å; I8-H47 WeakPolarHBondContact CD1-CD2 3.39Å
9E89.3Confident77.2Confident119 Ų119104.3 Ų104.356%0.55656%0.559SS**SBendtrans-116.3137.8-179.3-65.1-172.2172.200111.6R39 Q40 S43E9-R39 CarbonylContact O-C 3.57Å; E9-Q40 WeakPolarHBondContact O-CA 3.37Å; E9-S43 PolarHBondContact N-OG 2.89Å; E9-S43 WeakPolarHBondContact O-CB 3.45Å
10P91.3Very high77.6Confident37 Ų37109.2 Ų109.224%0.2458%0.578CS.*  cis-76.9146.8-1.330.6-34.4000113.1L13 A36 R39 Q40P10-L13 HydrophobicContact CG-CD2 4.32Å; P10-A36 WeakPolarHBondContact CD-O 3.27Å; P10-A36 HydrophobicContact CG-CB 3.92Å; P10-A36 WeakPolarHBondContact CG-O 3.33Å; P10-R39 HydrophobicContact CG-CB 4.42Å; P10-Q40 PolarHBondContact O-NE2 3.12Å
11R87.4Confident78Confident211 Ų211107.9 Ų107.980%0.79659%0.591SS**SBendtrans-76.8-31.2177.4-169.9174.7-176.4173.82.1113.1
12H88.9Confident80.1Confident98 Ų98100.4 Ų100.445%0.45455%0.554SS.*  trans-116.1128.6179.2-54.3105.8000109.2R15H12-R15 HydrophobicContact CB-CB 4.1Å; H12-R15 HydrophobicContact CB-CG 4.07Å; H12-R15 PolarHBondContact NE2-NH1 3.16Å
13L87.7Confident81.8Confident54 Ų54101.5 Ų101.528%0.28356%0.559SS.*SBendtrans-92.6-29.6-175.2-56.8175.2000112.9P10 T33 A36 I37P10-L13 HydrophobicContact CG-CD2 4.32Å; L13-T33 HydrophobicContact CB-CG2 4.18Å; L13-A36 HydrophobicContact CB-CB 4.31Å; L13-A36 HydrophobicContact CD2-CB 3.72Å; L13-I37 HydrophobicContact CD1-CD1 4.38Å; L13-I37 HydrophobicContact CD1-CG1 3.71Å; L13-I37 HydrophobicContact CD2-CG1 4.17Å; L13-I37 HydrophobicContact CG-CG1 4.48Å
14C83.9Confident83.4Confident81 Ų8198.5 Ų98.555%0.54755%0.547SS..SBendtrans-130.519-167.2-43.20000114.3T33C14-T33 WeakPolarHBondContact SG-CG2 3.25Å; C14-T33 PolarHBondContact SG-OG1 2.74Å
15R81.7Confident85Confident207 Ų20798.5 Ų98.578%0.78154%0.539SS*.  trans-94.29.5-173.8-73.2-167.3176.8-176.9-5.7115.1H12H12-R15 HydrophobicContact CB-CB 4.1Å; H12-R15 HydrophobicContact CB-CG 4.07Å; H12-R15 PolarHBondContact NE2-NH1 3.16Å
16G79.4Confident86.2Confident66 Ų66100 Ų10068%0.6855%0.551SS**SBendtrans-83.7144.9-179.300000112.7
17A82Confident86.7Confident103 Ų103103.6 Ų103.685%0.85157%0.57SS**PPolyproline II helixtrans-68.1141.1166.900000109.9
18L84.5Confident86.9Confident58 Ų58100.7 Ų100.730%0.30456%0.556SS.*PPolyproline II helixtrans-79140.3176.2-70.6177.1000110.4I22 E25 C28 V29L18-I22 HydrophobicContact CB-CD1 4.13Å; L18-I22 HydrophobicContact CD2-CD1 4.44Å; L18-E25 HydrophobicContact CD1-CB 3.71Å; L18-E25 HydrophobicContact CD1-CG 3.95Å; L18-C28 HydrophobicContact CD2-CB 4.18Å; L18-V29 HydrophobicContact CD1-CG2 3.79Å; L18-V29 HydrophobicContact CD2-CG2 3.72Å; L18-V29 HydrophobicContact CG-CG2 4.1Å
19P85.1Confident87Confident89 Ų89100.9 Ų100.958%0.57856%0.56SS**PPolyproline II helixtrans-54.1143.9169.2-23.226.7000112.8I22P19-I22 HydrophobicContact CB-CD1 3.83Å; P19-I22 HydrophobicContact CB-CG1 4.26Å; P19-I22 HydrophobicContact CG-CD1 3.93Å; P19-I22 WeakPolarHBondContact O-CD1 3.28Å; P19-I22 VanDerWaalsContact O-CG1 3.3Å; P19-I22 WeakPolarHBondContact O-CG1 3.48Å
20E85.7Confident87.2Confident201 Ų20198.4 Ų98.494%0.93955%0.553SS**THydrogen-bonded Turntrans-69.3140.9176.1-65.3-179.3-176.400111.1
21G85.5Confident87.3Confident82 Ų82101.1 Ų101.185%0.84557%0.565SS**THydrogen-bonded Turntrans90.714.9175.500000116.2
22I86.5Confident87.5Confident51 Ų5194 Ų9426%0.26255%0.548SS..  trans-79.7132.3177.1-57.1164.8000110.4L18 P19 C28L18-I22 HydrophobicContact CB-CD1 4.13Å; L18-I22 HydrophobicContact CD2-CD1 4.44Å; P19-I22 HydrophobicContact CB-CD1 3.83Å; P19-I22 HydrophobicContact CB-CG1 4.26Å; P19-I22 HydrophobicContact CG-CD1 3.93Å; P19-I22 WeakPolarHBondContact O-CD1 3.28Å; P19-I22 VanDerWaalsContact O-CG1 3.3Å; P19-I22 WeakPolarHBondContact O-CG1 3.48Å; I22-C28 HydrophobicContact CD1-CB 4.24Å; I22-C28 HydrophobicContact CG2-CB 4.11Å
23T84.6Confident87.7Confident151 Ų15190.6 Ų90.693%0.92653%0.534SS*.SBendtrans-79.9-32.5178.4540000113.3
24S89.3Confident88.1Confident45 Ų4592.4 Ų92.432%0.31554%0.543SS..  trans-123.580.3-178.7-172.90000110.6L26 E27 C28S24-L26 VanDerWaalsContact C-N 3.33Å; S24-L26 PolarHBondContact O-N 3.11Å; S24-E27 PolarHBondContact O-N 3.41Å; S24-E27 WeakPolarHBondContact OG-CB 3.44Å; S24-E27 PolarHBondContact OG-OE2 3.19Å; S24-C28 PolarHBondContact O-N 3.22Å; S24-C28 VanDerWaalsContact O-N 3.13Å
25E91Very high88.6Confident125 Ų12590.5 Ų90.558%0.58453%0.534SS*.Hα-helixtrans-59.5-42.3-177.8-68.9-174.4178.200112.5L18 E27 C28 V29L18-E25 HydrophobicContact CD1-CB 3.71Å; L18-E25 HydrophobicContact CD1-CG 3.95Å; E25-E27 PolarHBondContact O-N 3.17Å; E25-C28 WeakPolarHBondContact O-CB 3.49Å; E25-C28 PolarHBondContact O-N 3.49Å; E25-V29 WeakPolarHBondContact O-CG2 3.5Å; E25-V29 PolarHBondContact O-N 3.22Å
26L91.1Very high89.3Confident136 Ų13681.1 Ų81.171%0.71250%0.5SS*.Hα-helixtrans-64.1-41-178.7-178.362.2000112.1S24 C28 V29 T30S24-L26 VanDerWaalsContact C-N 3.33Å; S24-L26 PolarHBondContact O-N 3.11Å; L26-C28 VanDerWaalsContact C-N 3.35Å; L26-V29 PolarHBondContact O-N 3.42Å; L26-T30 WeakPolarHBondContact O-CB 3.37Å; L26-T30 PolarHBondContact O-N 3.35Å; L26-T30 PolarHBondContact O-OG1 2.95Å
27E91.3Very high90.1Very high117 Ų11780.7 Ų80.755%0.54748%0.482SS..Hα-helixtrans-66.2-40.1176.5-173.4-178.8174.800110.9S24 E25 T30 N31S24-E27 PolarHBondContact O-N 3.41Å; S24-E27 WeakPolarHBondContact OG-CB 3.44Å; S24-E27 PolarHBondContact OG-OE2 3.19Å; E25-E27 PolarHBondContact O-N 3.17Å; E27-T30 PolarHBondContact O-N 2.94Å; E27-N31 WeakPolarHBondContact O-CB 2.95Å; E27-N31 PolarHBondContact O-N 2.84Å
28C89.8Confident90.8Very high33 Ų3381.3 Ų81.322%0.22347%0.469CS..Hα-helixtrans-62-46.4175.3-173.50000112.2L18 I22 S24 E25 L26 T30 S32L18-C28 HydrophobicContact CD2-CB 4.18Å; I22-C28 HydrophobicContact CD1-CB 4.24Å; I22-C28 HydrophobicContact CG2-CB 4.11Å; S24-C28 PolarHBondContact O-N 3.22Å; S24-C28 VanDerWaalsContact O-N 3.13Å; E25-C28 WeakPolarHBondContact O-CB 3.49Å; E25-C28 PolarHBondContact O-N 3.49Å; L26-C28 VanDerWaalsContact C-N 3.35Å; C28-T30 VanDerWaalsContact C-N 3.34Å; C28-T30 PolarHBondContact O-N 3.29Å; C28-S32 VanDerWaalsContact O-CB 3.25Å; C28-S32 WeakPolarHBondContact O-CB 3.45Å; C28-S32 PolarHBondContact O-N 3.24Å; C28-S32 PolarHBondContact O-OG 3.12Å
29V92.1Very high91.3Very high54 Ų5486.9 Ų86.933%0.32749%0.487SS..Hα-helixtrans-60.7-45174.4175.10000110.7L18 E25 L26 S32 T33L18-V29 HydrophobicContact CD1-CG2 3.79Å; L18-V29 HydrophobicContact CD2-CG2 3.72Å; L18-V29 HydrophobicContact CG-CG2 4.1Å; E25-V29 WeakPolarHBondContact O-CG2 3.5Å; E25-V29 PolarHBondContact O-N 3.22Å; L26-V29 PolarHBondContact O-N 3.42Å; V29-S32 PolarHBondContact O-N 3.49Å; V29-T33 VanDerWaalsContact O-CB 3.24Å; V29-T33 WeakPolarHBondContact O-CB 3.43Å; V29-T33 PolarHBondContact O-N 2.84Å; V29-T33 PolarHBondContact O-OG1 2.79Å
30T92.5Very high91.8Very high67 Ų6785.5 Ų85.541%0.41147%0.472SS..Hα-helixtrans-62.1-49-178.9-55.30000111.1L26 E27 C28 S32 T33 L34L26-T30 WeakPolarHBondContact O-CB 3.37Å; L26-T30 PolarHBondContact O-N 3.35Å; L26-T30 PolarHBondContact O-OG1 2.95Å; E27-T30 PolarHBondContact O-N 2.94Å; C28-T30 VanDerWaalsContact C-N 3.34Å; C28-T30 PolarHBondContact O-N 3.29Å; T30-S32 PolarHBondContact O-N 3.42Å; T30-T33 WeakPolarHBondContact O-CB 3.4Å; T30-T33 PolarHBondContact O-N 3.3Å; T30-L34 HydrophobicContact CG2-CD1 4.35Å; T30-L34 WeakPolarHBondContact O-CG 3.45Å; T30-L34 PolarHBondContact O-N 3.37Å
31N92.6Very high92.4Very high94 Ų9480.4 Ų80.450%0.50345%0.451SS..Hα-helixtrans-64.7-40.5177.9-77.6-11.7000112.5E27 T33 L34 A35E27-N31 WeakPolarHBondContact O-CB 2.95Å; E27-N31 PolarHBondContact O-N 2.84Å; N31-T33 VanDerWaalsContact C-N 3.3Å; N31-T33 PolarHBondContact O-N 3.42Å; N31-L34 PolarHBondContact O-N 3.01Å; N31-A35 WeakPolarHBondContact O-CB 3.32Å; N31-A35 PolarHBondContact O-N 3.21Å
32S91.9Very high92.9Very high62 Ų6280.3 Ų80.343%0.43444%0.438SS..Hα-helixtrans-63.1-39.2175.5-61.50000111.7C28 V29 T30 A35 A36C28-S32 VanDerWaalsContact O-CB 3.25Å; C28-S32 WeakPolarHBondContact O-CB 3.45Å; C28-S32 PolarHBondContact O-N 3.24Å; C28-S32 PolarHBondContact O-OG 3.12Å; V29-S32 PolarHBondContact O-N 3.49Å; T30-S32 PolarHBondContact O-N 3.42Å; S32-A35 PolarHBondContact O-N 3.22Å; S32-A36 WeakPolarHBondContact O-CB 3.37Å; S32-A36 PolarHBondContact O-N 3.29Å
33T94.3Very high93.3Very high26 Ų2678.9 Ų78.916%0.1643%0.432CS..Hα-helixtrans-66.5-45.3177.1-60.80000110.9L13 C14 V29 T30 N31 A36 I37L13-T33 HydrophobicContact CB-CG2 4.18Å; C14-T33 WeakPolarHBondContact SG-CG2 3.25Å; C14-T33 PolarHBondContact SG-OG1 2.74Å; V29-T33 VanDerWaalsContact O-CB 3.24Å; V29-T33 WeakPolarHBondContact O-CB 3.43Å; V29-T33 PolarHBondContact O-N 2.84Å; V29-T33 PolarHBondContact O-OG1 2.79Å; T30-T33 WeakPolarHBondContact O-CB 3.4Å; T30-T33 PolarHBondContact O-N 3.3Å; N31-T33 VanDerWaalsContact C-N 3.3Å; N31-T33 PolarHBondContact O-N 3.42Å; T33-A36 WeakPolarHBondContact O-CB 3.32Å; T33-A36 PolarHBondContact O-N 3.28Å; T33-I37 HydrophobicContact CG2-CD1 4.13Å; T33-I37 VanDerWaalsContact O-CG1 3.32Å; T33-I37 WeakPolarHBondContact O-CG1 3.42Å; T33-I37 PolarHBondContact O-N 2.94Å
34L95.8Very high93.8Very high92 Ų9275.9 Ų75.948%0.48241%0.41SS..Hα-helixtrans-61.2-44.6175-72.1173000111.6T30 N31 A36 I37 I38T30-L34 HydrophobicContact CG2-CD1 4.35Å; T30-L34 WeakPolarHBondContact O-CG 3.45Å; T30-L34 PolarHBondContact O-N 3.37Å; N31-L34 PolarHBondContact O-N 3.01Å; L34-A36 VanDerWaalsContact C-N 3.3Å; L34-A36 PolarHBondContact O-N 3.29Å; L34-I37 PolarHBondContact O-N 3.11Å; L34-I38 WeakPolarHBondContact O-CG1 3.46Å; L34-I38 PolarHBondContact O-N 2.89Å
35A94.7Very high94.2Very high42 Ų4277.3 Ų77.335%0.34742%0.42SS..Hα-helixtrans-60.7-40.1174.700000112N31 S32 I38 R39N31-A35 WeakPolarHBondContact O-CB 3.32Å; N31-A35 PolarHBondContact O-N 3.21Å; S32-A35 PolarHBondContact O-N 3.22Å; A35-I38 PolarHBondContact O-N 2.8Å; A35-R39 WeakPolarHBondContact O-CG 3.48Å; A35-R39 PolarHBondContact O-N 3.34Å
36A95.1Very high94.3Very high9 Ų976.1 Ų76.17%0.07441%0.413CS..Hα-helixtrans-65.3-39.8175.200000112.3P10 L13 S32 T33 L34 R39 Q40P10-A36 WeakPolarHBondContact CD-O 3.27Å; P10-A36 HydrophobicContact CG-CB 3.92Å; P10-A36 WeakPolarHBondContact CG-O 3.33Å; L13-A36 HydrophobicContact CB-CB 4.31Å; L13-A36 HydrophobicContact CD2-CB 3.72Å; S32-A36 WeakPolarHBondContact O-CB 3.37Å; S32-A36 PolarHBondContact O-N 3.29Å; T33-A36 WeakPolarHBondContact O-CB 3.32Å; T33-A36 PolarHBondContact O-N 3.28Å; L34-A36 VanDerWaalsContact C-N 3.3Å; L34-A36 PolarHBondContact O-N 3.29Å; A36-R39 PolarHBondContact O-N 3.44Å; A36-Q40 WeakPolarHBondContact O-CB 3.49Å; A36-Q40 PolarHBondContact O-N 3.22Å
37I96.6Very high94.3Very high58 Ų5870.6 Ų70.630%0.29738%0.383SS..Hα-helixtrans-61.9-44.5174.2-69.6165000110.5L13 T33 L34 R39 Q40 L41L13-I37 HydrophobicContact CD1-CD1 4.38Å; L13-I37 HydrophobicContact CD1-CG1 3.71Å; L13-I37 HydrophobicContact CD2-CG1 4.17Å; L13-I37 HydrophobicContact CG-CG1 4.48Å; T33-I37 HydrophobicContact CG2-CD1 4.13Å; T33-I37 VanDerWaalsContact O-CG1 3.32Å; T33-I37 WeakPolarHBondContact O-CG1 3.42Å; T33-I37 PolarHBondContact O-N 2.94Å; L34-I37 PolarHBondContact O-N 3.11Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 3.44Å; I37-Q40 WeakPolarHBondContact O-CA 3.34Å; I37-Q40 WeakPolarHBondContact O-CB 3.4Å; I37-Q40 PolarHBondContact O-N 3.44Å; I37-Q40 VanDerWaalsContact O-N 3.1Å; I37-L41 HydrophobicContact CG2-CD1 4.19Å; I37-L41 HydrophobicContact CG2-CG 4.45Å; I37-L41 WeakPolarHBondContact O-CG 3.26Å; I37-L41 PolarHBondContact O-N 2.83Å
38I96.7Very high94.5Very high115 Ų11566.7 Ų66.759%0.5937%0.371SS*.Hα-helixtrans-60.6-43.7177.7-67.2165.6000110.7L34 A35 Q40 L41 S42L34-I38 WeakPolarHBondContact O-CG1 3.46Å; L34-I38 PolarHBondContact O-N 2.89Å; A35-I38 PolarHBondContact O-N 2.8Å; I38-Q40 VanDerWaalsContact C-N 3.3Å; I38-Q40 PolarHBondContact O-N 3.12Å; I38-L41 PolarHBondContact O-N 2.82Å; I38-S42 PolarHBondContact O-N 3.28Å
39R96.1Very high94.7Very high176 Ų17671.8 Ų71.866%0.66439%0.392SS*.Hα-helixtrans-61.7-39.9174.1-70.4175.2-178.8165.41.3111.8E9 P10 A35 A36 I37 S42 S43E9-R39 CarbonylContact O-C 3.57Å; P10-R39 HydrophobicContact CG-CB 4.42Å; A35-R39 WeakPolarHBondContact O-CG 3.48Å; A35-R39 PolarHBondContact O-N 3.34Å; A36-R39 PolarHBondContact O-N 3.44Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 3.44Å; R39-S42 WeakPolarHBondContact O-CB 3.48Å; R39-S42 PolarHBondContact O-N 3.3Å; R39-S43 PolarHBondContact O-N 3.14Å
40Q95.7Very high94.7Very high59 Ų5971 Ų7128%0.27639%0.385SS..Hα-helixtrans-63.5-42.9177.9-162.2178.456.400111.7I8 E9 P10 A36 I37 I38 S42 S43 L44I8-Q40 HydrophobicContact CB-CG 4.43Å; I8-Q40 HydrophobicContact CG2-CB 4.44Å; I8-Q40 HydrophobicContact CG2-CG 3.39Å; I8-Q40 VanDerWaalsContact CG2-O 3.29Å; I8-Q40 WeakPolarHBondContact CG2-O 3.22Å; E9-Q40 WeakPolarHBondContact O-CA 3.37Å; P10-Q40 PolarHBondContact O-NE2 3.12Å; A36-Q40 WeakPolarHBondContact O-CB 3.49Å; A36-Q40 PolarHBondContact O-N 3.22Å; I37-Q40 WeakPolarHBondContact O-CA 3.34Å; I37-Q40 WeakPolarHBondContact O-CB 3.4Å; I37-Q40 PolarHBondContact O-N 3.44Å; I37-Q40 VanDerWaalsContact O-N 3.1Å; I38-Q40 VanDerWaalsContact C-N 3.3Å; I38-Q40 PolarHBondContact O-N 3.12Å; Q40-S42 VanDerWaalsContact C-N 3.34Å; Q40-S43 PolarHBondContact O-N 3.3Å; Q40-L44 WeakPolarHBondContact O-CB 3.26Å; Q40-L44 PolarHBondContact O-N 3.46Å
41L96.9Very high94.8Very high95 Ų9571.3 Ų71.350%0.49738%0.384SS..Hα-helixtrans-65.3-36.3174.4-69.5173.8000112.3I37 I38 L44 S45I37-L41 HydrophobicContact CG2-CD1 4.19Å; I37-L41 HydrophobicContact CG2-CG 4.45Å; I37-L41 WeakPolarHBondContact O-CG 3.26Å; I37-L41 PolarHBondContact O-N 2.83Å; I38-L41 PolarHBondContact O-N 2.82Å; L41-L44 HydrophobicContact CD2-CD2 4.49Å; L41-L44 PolarHBondContact O-N 3.25Å; L41-S45 WeakPolarHBondContact O-CB 3.33Å; L41-S45 PolarHBondContact O-N 3.5Å; L41-S45 PolarHBondContact O-OG 2.96Å
42S97.1Very high95Very high80 Ų8073.6 Ų73.656%0.55939%0.39SS*.Hα-helixtrans-63.6-46.5173176.50000111.5I38 R39 Q40 L44 S45 K46I38-S42 PolarHBondContact O-N 3.28Å; R39-S42 WeakPolarHBondContact O-CB 3.48Å; R39-S42 PolarHBondContact O-N 3.3Å; Q40-S42 VanDerWaalsContact C-N 3.34Å; S42-L44 VanDerWaalsContact C-N 3.34Å; S42-L44 PolarHBondContact O-N 3.15Å; S42-S45 WeakPolarHBondContact O-CB 3.36Å; S42-S45 PolarHBondContact O-N 2.96Å; S42-K46 PolarHBondContact O-N 3.21Å
43S94.5Very high95.2Very high21 Ų2172 Ų7215%0.14738%0.382CS..Hα-helixtrans-59.9-43.4174.4178.10000111.8E9 R39 Q40 S45 K46 H47E9-S43 PolarHBondContact N-OG 2.89Å; E9-S43 WeakPolarHBondContact O-CB 3.45Å; R39-S43 PolarHBondContact O-N 3.14Å; Q40-S43 PolarHBondContact O-N 3.3Å; S43-S45 VanDerWaalsContact C-N 3.33Å; S43-S45 PolarHBondContact O-N 3.49Å; S43-K46 WeakPolarHBondContact O-CB 3.5Å; S43-K46 PolarHBondContact O-N 2.82Å; S43-H47 PolarHBondContact O-CD2 3.15Å; S43-H47 PolarHBondContact O-N 3.17Å; S43-H47 VanDerWaalsContact O-N 3.11Å
44L95.3Very high95.1Very high88 Ų8874.4 Ų74.446%0.46139%0.392SS..Hα-helixtrans-60.4-41.5174.6179.863.3000112.3I8 Q40 L41 S42 H47 A48I8-L44 HydrophobicContact CD1-CB 4.39Å; I8-L44 HydrophobicContact CD1-CD1 3.95Å; I8-L44 HydrophobicContact CG2-CB 4.38Å; Q40-L44 WeakPolarHBondContact O-CB 3.26Å; Q40-L44 PolarHBondContact O-N 3.46Å; L41-L44 HydrophobicContact CD2-CD2 4.49Å; L41-L44 PolarHBondContact O-N 3.25Å; S42-L44 VanDerWaalsContact C-N 3.34Å; S42-L44 PolarHBondContact O-N 3.15Å; L44-H47 PolarHBondContact O-N 2.96Å; L44-A48 PolarHBondContact O-N 2.82Å
45S96.9Very high95.2Very high75 Ų7574.6 Ų74.652%0.52439%0.393SS..Hα-helixtrans-63.5-42.5178.3-57.50000111.6L41 S42 S43 H47 A48 E49L41-S45 WeakPolarHBondContact O-CB 3.33Å; L41-S45 PolarHBondContact O-N 3.5Å; L41-S45 PolarHBondContact O-OG 2.96Å; S42-S45 WeakPolarHBondContact O-CB 3.36Å; S42-S45 PolarHBondContact O-N 2.96Å; S43-S45 VanDerWaalsContact C-N 3.33Å; S43-S45 PolarHBondContact O-N 3.49Å; S45-H47 VanDerWaalsContact C-N 3.34Å; S45-H47 PolarHBondContact O-N 3.47Å; S45-A48 PolarHBondContact O-N 3.04Å; S45-E49 PolarHBondContact O-N 3.46Å
46K93.5Very high95.3Very high99 Ų9978.9 Ų78.943%0.4340%0.404SS..Hα-helixtrans-56.6-47.8172.6-177.4-168.1172.2-167.60111.1S42 S43 A48 E49 D50 D123S42-K46 PolarHBondContact O-N 3.21Å; S43-K46 WeakPolarHBondContact O-CB 3.5Å; S43-K46 PolarHBondContact O-N 2.82Å; K46-A48 VanDerWaalsContact C-N 3.33Å; K46-A48 PolarHBondContact O-N 3.39Å; K46-E49 WeakPolarHBondContact O-CB 3.5Å; K46-E49 PolarHBondContact O-N 3.28Å; K46-D50 PolarHBondContact O-N 3.24Å; K46-D123 IonicContact NZ-OD2 3.15Å; K46-D123 PolarHBondContact NZ-OD2 3.1Å
47H92Very high95.4Very high20 Ų2083 Ų839%0.09343%0.425CS..Hα-helixtrans-65.6-35.9179.9-75.3-58.2000113.1R6 N7 I8 S43 L44 S45 I51R6-H47 WeakPolarHBondContact CD-ND1 3.32Å; R6-H47 WeakPolarHBondContact CG-ND1 3.19Å; R6-H47 PolarHBondContact NE-ND1 3.43Å; N7-H47 PolarHBondContact O-NE2 3Å; I8-H47 HydrophobicContact CD1-CB 4.48Å; I8-H47 WeakPolarHBondContact CD1-CD2 3.39Å; S43-H47 PolarHBondContact O-CD2 3.15Å; S43-H47 PolarHBondContact O-N 3.17Å; S43-H47 VanDerWaalsContact O-N 3.11Å; L44-H47 PolarHBondContact O-N 2.96Å; S45-H47 VanDerWaalsContact C-N 3.34Å; S45-H47 PolarHBondContact O-N 3.47Å; H47-I51 WeakPolarHBondContact O-CD1 3.47Å; H47-I51 VanDerWaalsContact O-CG1 3.27Å; H47-I51 WeakPolarHBondContact O-CG1 3.39Å; H47-I51 PolarHBondContact O-N 2.79Å; H47-I51 VanDerWaalsContact O-N 3.14Å
48A94.8Very high95.5Very high35 Ų3587 Ų8729%0.28944%0.442SS..Hα-helixtrans-65.7-45.4174.500000111.3L44 S45 K46 D50 I51 F52L44-A48 PolarHBondContact O-N 2.82Å; S45-A48 PolarHBondContact O-N 3.04Å; K46-A48 VanDerWaalsContact C-N 3.33Å; K46-A48 PolarHBondContact O-N 3.39Å; A48-D50 VanDerWaalsContact C-N 3.33Å; A48-D50 PolarHBondContact O-N 3.45Å; A48-I51 PolarHBondContact O-N 2.93Å; A48-F52 HydrophobicContact CB-CD2 4.46Å; A48-F52 HydrophobicContact CB-CE2 4.35Å; A48-F52 WeakPolarHBondContact O-CD2 3.49Å; A48-F52 PolarHBondContact O-N 2.9Å
49E94.8Very high95.6Very high141 Ų14184.3 Ų84.366%0.65944%0.437SS*.Hα-helixtrans-54.6-49174.7-178.6-175.6174.400111.1S45 K46 I51 F52 G53S45-E49 PolarHBondContact O-N 3.46Å; K46-E49 WeakPolarHBondContact O-CB 3.5Å; K46-E49 PolarHBondContact O-N 3.28Å; E49-I51 PolarHBondContact O-N 3.23Å; E49-F52 PolarHBondContact O-N 3.24Å; E49-G53 PolarHBondContact O-N 2.97Å
50D92.1Very high95.7Very high37 Ų3779 Ų7920%0.19842%0.422CS..Hα-helixtrans-61.4-42.6179-66.5-21.3000112.5R6 K46 A48 G53 E54R6-D50 IonicContact CZ-OD2 2.95Å; R6-D50 IonicContact NE-OD2 2.89Å; R6-D50 IonicContact NH2-OD2 2.59Å; R6-D50 PolarHBondContact NH2-OD2 3.42Å; K46-D50 PolarHBondContact O-N 3.24Å; A48-D50 VanDerWaalsContact C-N 3.33Å; A48-D50 PolarHBondContact O-N 3.45Å; D50-G53 PolarHBondContact O-N 3.34Å; D50-E54 WeakPolarHBondContact O-CB 3.4Å; D50-E54 WeakPolarHBondContact O-CG 3.48Å; D50-E54 PolarHBondContact O-N 3.49Å
51I92.9Very high95.8Very high74 Ų7479.3 Ų79.338%0.37943%0.431SS..Hα-helixtrans-62.3-48.2179.5-70.4165.3000110H47 A48 E49 G53 E54 L55H47-I51 WeakPolarHBondContact O-CD1 3.47Å; H47-I51 VanDerWaalsContact O-CG1 3.27Å; H47-I51 WeakPolarHBondContact O-CG1 3.39Å; H47-I51 PolarHBondContact O-N 2.79Å; H47-I51 VanDerWaalsContact O-N 3.14Å; A48-I51 PolarHBondContact O-N 2.93Å; E49-I51 PolarHBondContact O-N 3.23Å; I51-G53 VanDerWaalsContact C-N 3.3Å; I51-G53 PolarHBondContact O-N 3.47Å; I51-E54 PolarHBondContact O-N 3.32Å; I51-L55 HydrophobicContact CG2-CD1 4.15Å; I51-L55 WeakPolarHBondContact O-CG 3.21Å; I51-L55 PolarHBondContact O-N 3.01Å
52F96.8Very high95.9Very high142 Ų14281.5 Ų81.562%0.62344%0.436SS*.Hα-helixtrans-67.1-33.5178.3-70-58.4000111.9A48 E49 F56A48-F52 HydrophobicContact CB-CD2 4.46Å; A48-F52 HydrophobicContact CB-CE2 4.35Å; A48-F52 WeakPolarHBondContact O-CD2 3.49Å; A48-F52 PolarHBondContact O-N 2.9Å; E49-F52 PolarHBondContact O-N 3.24Å; F52-F56 WeakPolarHBondContact O-CB 3.17Å; F52-F56 PolarHBondContact O-N 2.85Å
53G95.9Very high96Very high27 Ų2784.4 Ų84.428%0.27844%0.436SS..Hα-helixtrans-64.2-45.9173.200000112.7E49 D50 I51 F56 N57E49-G53 PolarHBondContact O-N 2.97Å; D50-G53 PolarHBondContact O-N 3.34Å; I51-G53 VanDerWaalsContact C-N 3.3Å; I51-G53 PolarHBondContact O-N 3.47Å; G53-F56 PolarHBondContact O-N 2.83Å; G53-N57 WeakPolarHBondContact O-CB 3.49Å; G53-N57 PolarHBondContact O-N 3.35Å; G53-N57 PolarHBondContact O-ND2 3.41Å
54E93.8Very high96.2Very high78 Ų7888 Ų8836%0.36445%0.453SS..Hα-helixtrans-58.4-49.2175-73.7171.7-141.500110.8R6 D50 I51 F56 N57 E58R6-E54 IonicContact CZ-OE1 3.08Å; R6-E54 IonicContact NH1-OE1 2.81Å; R6-E54 PolarHBondContact NH1-OE1 2.85Å; R6-E54 VanDerWaalsContact NH1-OE1 3.1Å; R6-E54 IonicContact NH2-OE1 3.05Å; R6-E54 PolarHBondContact NH2-OE1 3.47Å; R6-E54 VanDerWaalsContact NH2-OE1 3.13Å; D50-E54 WeakPolarHBondContact O-CB 3.4Å; D50-E54 WeakPolarHBondContact O-CG 3.48Å; D50-E54 PolarHBondContact O-N 3.49Å; I51-E54 PolarHBondContact O-N 3.32Å; E54-F56 PolarHBondContact O-N 3.24Å; E54-N57 PolarHBondContact O-N 3.43Å; E54-E58 PolarHBondContact O-N 2.78Å; E54-E58 VanDerWaalsContact O-N 3.15Å
55L96.8Very high96.3Very high96 Ų9692.7 Ų92.750%0.50346%0.464SS..Hα-helixtrans-62.8-42.7177.5-69.5173.7000112.6I51 E58 A59I51-L55 HydrophobicContact CG2-CD1 4.15Å; I51-L55 WeakPolarHBondContact O-CG 3.21Å; I51-L55 PolarHBondContact O-N 3.01Å; L55-E58 PolarHBondContact O-N 2.84Å; L55-A59 VanDerWaalsContact O-CB 3.29Å; L55-A59 WeakPolarHBondContact O-CB 3.29Å; L55-A59 PolarHBondContact O-N 2.91Å
56F98.2Very high96.4Very high131 Ų13190.9 Ų90.958%0.57545%0.454SS*.Hα-helixtrans-61.2-45.5177.7172.1-95.7000111.3F52 G53 E54 E58 A59 N60F52-F56 WeakPolarHBondContact O-CB 3.17Å; F52-F56 PolarHBondContact O-N 2.85Å; G53-F56 PolarHBondContact O-N 2.83Å; E54-F56 PolarHBondContact O-N 3.24Å; F56-E58 VanDerWaalsContact C-N 3.33Å; F56-E58 PolarHBondContact O-N 2.95Å; F56-A59 PolarHBondContact O-N 3.36Å; F56-N60 HydrophobicContact CE1-CB 4.47Å; F56-N60 HydrophobicContact CZ-CB 4.49Å; F56-N60 WeakPolarHBondContact O-CB 3.41Å; F56-N60 PolarHBondContact O-N 2.93Å
57N96.9Very high96.6Very high96 Ų9689.3 Ų89.351%0.51345%0.45SS..Hα-helixtrans-62.8-40.8-179.9-73.1-34.9000112G53 E54 S61G53-N57 WeakPolarHBondContact O-CB 3.49Å; G53-N57 PolarHBondContact O-N 3.35Å; G53-N57 PolarHBondContact O-ND2 3.41Å; E54-N57 PolarHBondContact O-N 3.43Å; N57-S61 WeakPolarHBondContact O-CB 3.38Å; N57-S61 PolarHBondContact O-N 2.8Å; N57-S61 PolarHBondContact O-OG 3.15Å
58E97.4Very high97Very high143 Ų14391.5 Ų91.567%0.66847%0.468SS*.Hα-helixtrans-67.4-46.5176.2-172.5170.4-167.900111.6E54 L55 F56 N60 S61 F62E54-E58 PolarHBondContact O-N 2.78Å; E54-E58 VanDerWaalsContact O-N 3.15Å; L55-E58 PolarHBondContact O-N 2.84Å; F56-E58 VanDerWaalsContact C-N 3.33Å; F56-E58 PolarHBondContact O-N 2.95Å; E58-N60 VanDerWaalsContact C-N 3.33Å; E58-N60 PolarHBondContact O-N 3.47Å; E58-S61 WeakPolarHBondContact O-CB 3.45Å; E58-S61 PolarHBondContact O-N 3.12Å; E58-F62 PolarHBondContact O-N 2.91Å
59A98.6Very high97.2Very high58 Ų5894.1 Ų94.148%0.47948%0.476SS..Hα-helixtrans-61.6-40.2176.600000112.2L55 F56 F62 Y63L55-A59 VanDerWaalsContact O-CB 3.29Å; L55-A59 WeakPolarHBondContact O-CB 3.29Å; L55-A59 PolarHBondContact O-N 2.91Å; F56-A59 PolarHBondContact O-N 3.36Å; A59-F62 WeakPolarHBondContact O-CB 3.28Å; A59-F62 PolarHBondContact O-N 3.23Å; A59-Y63 WeakPolarHBondContact O-CB 3.48Å; A59-Y63 PolarHBondContact O-N 3.36Å
60N98.5Very high97.3Very high64 Ų6491.8 Ų91.834%0.34247%0.466SS..Hα-helixtrans-66.8-41.2176.5-176.460.8000111.6F56 E58 F62 Y63 I64F56-N60 HydrophobicContact CE1-CB 4.47Å; F56-N60 HydrophobicContact CZ-CB 4.49Å; F56-N60 WeakPolarHBondContact O-CB 3.41Å; F56-N60 PolarHBondContact O-N 2.93Å; E58-N60 VanDerWaalsContact C-N 3.33Å; E58-N60 PolarHBondContact O-N 3.47Å; N60-F62 VanDerWaalsContact C-N 3.31Å; N60-F62 PolarHBondContact O-N 3.21Å; N60-Y63 WeakPolarHBondContact O-CB 3.32Å; N60-Y63 PolarHBondContact O-N 2.91Å; N60-I64 WeakPolarHBondContact O-CG1 3.34Å; N60-I64 PolarHBondContact O-N 3.11Å
61S98.5Very high97.6Very high66 Ų6693.9 Ų93.946%0.46248%0.477SS..Hα-helixtrans-61.9-40.7174.2-60.70000111.6N57 E58 R65N57-S61 WeakPolarHBondContact O-CB 3.38Å; N57-S61 PolarHBondContact O-N 2.8Å; N57-S61 PolarHBondContact O-OG 3.15Å; E58-S61 WeakPolarHBondContact O-CB 3.45Å; E58-S61 PolarHBondContact O-N 3.12Å; S61-R65 WeakPolarHBondContact O-CG 3.47Å; S61-R65 PolarHBondContact O-N 3.4Å
62F98.5Very high97.9Very high140 Ų14098 Ų9861%0.61449%0.487SS*.Hα-helixtrans-63.5-46.4172.7174.2-99.6000111.9E58 A59 N60 I64 R65 A66E58-F62 PolarHBondContact O-N 2.91Å; A59-F62 WeakPolarHBondContact O-CB 3.28Å; A59-F62 PolarHBondContact O-N 3.23Å; N60-F62 VanDerWaalsContact C-N 3.31Å; N60-F62 PolarHBondContact O-N 3.21Å; F62-I64 PolarHBondContact O-N 3.39Å; F62-R65 WeakPolarHBondContact O-CB 3.14Å; F62-R65 PolarHBondContact O-N 3.36Å; F62-A66 HydrophobicContact CE1-CB 4.4Å; F62-A66 WeakPolarHBondContact O-CB 3.49Å; F62-A66 PolarHBondContact O-N 3.03Å
63Y98.6Very high98Very high141 Ų14195.1 Ų95.155%0.55348%0.478SS*.Hα-helixtrans-56.7-47.8179.1171.1-105.3000112.3A59 N60 R65 A66 N67A59-Y63 WeakPolarHBondContact O-CB 3.48Å; A59-Y63 PolarHBondContact O-N 3.36Å; N60-Y63 WeakPolarHBondContact O-CB 3.32Å; N60-Y63 PolarHBondContact O-N 2.91Å; Y63-R65 VanDerWaalsContact C-N 3.32Å; Y63-R65 PolarHBondContact O-N 2.79Å; Y63-A66 PolarHBondContact O-N 2.85Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.18Å; Y63-N67 VanDerWaalsContact CE2-ND2 3.26Å; Y63-N67 WeakPolarHBondContact CE2-ND2 3.5Å; Y63-N67 PolarHBondContact O-N 3.39Å; Y63-N67 PolarHBondContact O-ND2 3.49Å; Y63-N67 PolarHBondContact OH-ND2 3.17Å
64I98.6Very high98.1Very high98 Ų9897.7 Ų97.750%0.50349%0.485SS..Hα-helixtrans-59.8-44.1177.5-66.4166.4000110.9N60 F62 S68N60-I64 WeakPolarHBondContact O-CG1 3.34Å; N60-I64 PolarHBondContact O-N 3.11Å; F62-I64 PolarHBondContact O-N 3.39Å; I64-S68 WeakPolarHBondContact O-CB 3.08Å; I64-S68 PolarHBondContact O-N 3.45Å
65R98.6Very high98.3Very high186 Ų186100.7 Ų100.770%0.70249%0.493SS*.Hα-helixtrans-65.2-40.5177.7-71.617059.3-164.3-2.4112S61 F62 Y63 S68 L69S61-R65 WeakPolarHBondContact O-CG 3.47Å; S61-R65 PolarHBondContact O-N 3.4Å; F62-R65 WeakPolarHBondContact O-CB 3.14Å; F62-R65 PolarHBondContact O-N 3.36Å; Y63-R65 VanDerWaalsContact C-N 3.32Å; Y63-R65 PolarHBondContact O-N 2.79Å; R65-S68 PolarHBondContact O-N 2.97Å; R65-L69 WeakPolarHBondContact O-CB 2.94Å; R65-L69 PolarHBondContact O-N 3.21Å
66A98.8Very high98.4Very high37 Ų37101.1 Ų101.131%0.30650%0.495SS..Hα-helixtrans-64.2-45178.900000111.3F62 Y63 L69 Q70F62-A66 HydrophobicContact CE1-CB 4.4Å; F62-A66 WeakPolarHBondContact O-CB 3.49Å; F62-A66 PolarHBondContact O-N 3.03Å; Y63-A66 PolarHBondContact O-N 2.85Å; A66-L69 WeakPolarHBondContact O-CB 3.17Å; A66-L69 PolarHBondContact O-N 3.05Å; A66-Q70 WeakPolarHBondContact O-CB 3.27Å; A66-Q70 PolarHBondContact O-N 3.05Å
67N98.6Very high98.4Very high66 Ų6697.3 Ų97.335%0.35349%0.488SS..Hα-helixtrans-63.4-45.2175.7-70.2-24.9000112Y63 L69 Q70 D71Y63-N67 WeakPolarHBondContact CE1-ND2 3.18Å; Y63-N67 VanDerWaalsContact CE2-ND2 3.26Å; Y63-N67 WeakPolarHBondContact CE2-ND2 3.5Å; Y63-N67 PolarHBondContact O-N 3.39Å; Y63-N67 PolarHBondContact O-ND2 3.49Å; Y63-N67 PolarHBondContact OH-ND2 3.17Å; N67-L69 PolarHBondContact O-N 3.36Å; N67-Q70 PolarHBondContact O-N 3.3Å; N67-Q70 VanDerWaalsContact O-N 3.15Å; N67-D71 PolarHBondContact O-N 3.47Å
68S98.7Very high98.4Very high65 Ų6596.2 Ų96.246%0.45549%0.485SS..Hα-helixtrans-59.6-37.6176-176.10000112.1I64 R65 R72I64-S68 WeakPolarHBondContact O-CB 3.08Å; I64-S68 PolarHBondContact O-N 3.45Å; R65-S68 PolarHBondContact O-N 2.97Å; S68-R72 VanDerWaalsContact O-CG 3.26Å; S68-R72 WeakPolarHBondContact O-CG 3.32Å; S68-R72 PolarHBondContact O-N 2.82Å
69L98.7Very high98.4Very high91 Ų9196.3 Ų96.348%0.47648%0.483SS..Hα-helixtrans-69.7-42.2175.3-178.360.8000111.8R65 A66 N67 R72 I73R65-L69 WeakPolarHBondContact O-CB 2.94Å; R65-L69 PolarHBondContact O-N 3.21Å; A66-L69 WeakPolarHBondContact O-CB 3.17Å; A66-L69 PolarHBondContact O-N 3.05Å; N67-L69 PolarHBondContact O-N 3.36Å; L69-R72 WeakPolarHBondContact O-CB 3.45Å; L69-R72 PolarHBondContact O-N 3.49Å; L69-R72 VanDerWaalsContact O-N 3.14Å; L69-I73 HydrophobicContact CD1-CD1 4.33Å; L69-I73 HydrophobicContact CD1-CG1 4.42Å; L69-I73 HydrophobicContact CG-CD1 3.93Å; L69-I73 HydrophobicContact CG-CG1 4.46Å; L69-I73 WeakPolarHBondContact O-CG1 3.48Å; L69-I73 PolarHBondContact O-N 3.26Å
70Q98.6Very high98.3Very high92 Ų9297.6 Ų97.643%0.4348%0.484SS..Hα-helixtrans-59.2-50.1177.8-173.859.753.400111A66 N67 R72 I73 D74A66-Q70 WeakPolarHBondContact O-CB 3.27Å; A66-Q70 PolarHBondContact O-N 3.05Å; N67-Q70 PolarHBondContact O-N 3.3Å; N67-Q70 VanDerWaalsContact O-N 3.15Å; Q70-R72 PolarHBondContact O-N 3.11Å; Q70-R72 VanDerWaalsContact O-N 3.15Å; Q70-I73 WeakPolarHBondContact O-CA 3.5Å; Q70-I73 WeakPolarHBondContact O-CB 3.22Å; Q70-I73 PolarHBondContact O-N 3.24Å; Q70-D74 PolarHBondContact NE2-OD1 3.45Å; Q70-D74 PolarHBondContact O-N 2.67Å
71D98.6Very high98.2Very high81 Ų81100 Ų10043%0.43350%0.502SS..Hα-helixtrans-57.1-35.7176.8-72.4-14.8000112.3N67 R75N67-D71 PolarHBondContact O-N 3.47Å; D71-R75 VanDerWaalsContact CB-NH2 3.34Å; D71-R75 WeakPolarHBondContact O-CG 3.42Å; D71-R75 PolarHBondContact O-N 2.88Å; D71-R75 PolarHBondContact O-NE 3.49Å; D71-R75 PolarHBondContact O-NH2 3.31Å
72R98.6Very high97.9Very high160 Ų160103.9 Ų103.960%0.60451%0.513SS*.Hα-helixtrans-70.9-39.4176.1-73.4172.565.8-165.9-0.3111.8S68 L69 Q70 L76S68-R72 VanDerWaalsContact O-CG 3.26Å; S68-R72 WeakPolarHBondContact O-CG 3.32Å; S68-R72 PolarHBondContact O-N 2.82Å; L69-R72 WeakPolarHBondContact O-CB 3.45Å; L69-R72 PolarHBondContact O-N 3.49Å; L69-R72 VanDerWaalsContact O-N 3.14Å; Q70-R72 PolarHBondContact O-N 3.11Å; Q70-R72 VanDerWaalsContact O-N 3.15Å; R72-L76 VanDerWaalsContact O-CB 3.25Å; R72-L76 WeakPolarHBondContact O-CB 3.48Å; R72-L76 PolarHBondContact O-N 3.1Å
73I98.7Very high97.7Very high81 Ų81102.3 Ų102.342%0.41551%0.51SS..Hα-helixtrans-63.3-45.8176.1-71.2166.9000109.8L69 Q70 R75 L76 A77L69-I73 HydrophobicContact CD1-CD1 4.33Å; L69-I73 HydrophobicContact CD1-CG1 4.42Å; L69-I73 HydrophobicContact CG-CD1 3.93Å; L69-I73 HydrophobicContact CG-CG1 4.46Å; L69-I73 WeakPolarHBondContact O-CG1 3.48Å; L69-I73 PolarHBondContact O-N 3.26Å; Q70-I73 WeakPolarHBondContact O-CA 3.5Å; Q70-I73 WeakPolarHBondContact O-CB 3.22Å; Q70-I73 PolarHBondContact O-N 3.24Å; I73-R75 PolarHBondContact O-N 3.4Å; I73-L76 CarbonylContact O-C 3.56Å; I73-L76 PolarHBondContact O-N 3.33Å; I73-L76 VanDerWaalsContact O-N 3.11Å; I73-A77 WeakPolarHBondContact O-CB 3.47Å; I73-A77 PolarHBondContact O-N 2.92Å
74D98.5Very high97.3Very high82 Ų8299.5 Ų99.544%0.43950%0.504SS..Hα-helixtrans-62.1-45.9-178.9-63.6-20.4000111.3Q70 L76 A77 V78Q70-D74 PolarHBondContact NE2-OD1 3.45Å; Q70-D74 PolarHBondContact O-N 2.67Å; D74-L76 VanDerWaalsContact C-N 3.32Å; D74-L76 PolarHBondContact O-N 3.04Å; D74-A77 PolarHBondContact O-N 2.87Å; D74-V78 PolarHBondContact O-N 3.04Å
75R98.3Very high96.6Very high141 Ų14199.8 Ų99.853%0.53252%0.515SS..Hα-helixtrans-63.4-37.5174.3-73.1-174.9-72.8-92.51112.5D71 I73 K79D71-R75 VanDerWaalsContact CB-NH2 3.34Å; D71-R75 WeakPolarHBondContact O-CG 3.42Å; D71-R75 PolarHBondContact O-N 2.88Å; D71-R75 PolarHBondContact O-NE 3.49Å; D71-R75 PolarHBondContact O-NH2 3.31Å; I73-R75 PolarHBondContact O-N 3.4Å; R75-K79 WeakPolarHBondContact O-CG 3.47Å; R75-K79 PolarHBondContact O-N 3.31Å
76L98.3Very high96Very high104 Ų10496.8 Ų96.855%0.54552%0.518SS..Hα-helixtrans-68.8-40.4177.9-17861.8000111.2R72 I73 D74 V78 K79 V80R72-L76 VanDerWaalsContact O-CB 3.25Å; R72-L76 WeakPolarHBondContact O-CB 3.48Å; R72-L76 PolarHBondContact O-N 3.1Å; I73-L76 CarbonylContact O-C 3.56Å; I73-L76 PolarHBondContact O-N 3.33Å; I73-L76 VanDerWaalsContact O-N 3.11Å; D74-L76 VanDerWaalsContact C-N 3.32Å; D74-L76 PolarHBondContact O-N 3.04Å; L76-V78 VanDerWaalsContact C-N 3.33Å; L76-V78 PolarHBondContact O-N 3.43Å; L76-K79 PolarHBondContact O-N 3.32Å; L76-K79 VanDerWaalsContact O-N 3.12Å; L76-V80 HydrophobicContact CD1-CG2 4.07Å; L76-V80 HydrophobicContact CG-CG2 4.17Å; L76-V80 WeakPolarHBondContact O-CG2 3.3Å; L76-V80 PolarHBondContact O-N 2.78Å
77A98.1Very high95.4Very high51 Ų51100 Ų10042%0.42153%0.533SS..Hα-helixtrans-60-42.617800000111.7I73 D74 V80 T81I73-A77 WeakPolarHBondContact O-CB 3.47Å; I73-A77 PolarHBondContact O-N 2.92Å; D74-A77 PolarHBondContact O-N 2.87Å; A77-V80 PolarHBondContact O-N 2.92Å; A77-T81 WeakPolarHBondContact O-CB 3.45Å; A77-T81 WeakPolarHBondContact O-CG2 3.44Å; A77-T81 PolarHBondContact O-N 3.45Å; A77-T81 PolarHBondContact O-OG1 2.9Å
78V97.7Very high94.6Very high74 Ų74102.9 Ų102.945%0.44855%0.545SS..Hα-helixtrans-61.5-45.2173.3176.30000111.2D74 L76 V80 T81 Q82D74-V78 PolarHBondContact O-N 3.04Å; L76-V78 VanDerWaalsContact C-N 3.33Å; L76-V78 PolarHBondContact O-N 3.43Å; V78-V80 PolarHBondContact O-N 3.26Å; V78-T81 WeakPolarHBondContact CA-OG1 3.29Å; V78-T81 PolarHBondContact O-N 3.45Å; V78-T81 PolarHBondContact O-OG1 2.91Å; V78-Q82 VanDerWaalsContact CG1-NE2 3.25Å; V78-Q82 WeakPolarHBondContact O-CB 3.44Å; V78-Q82 VanDerWaalsContact O-CG 3.28Å; V78-Q82 WeakPolarHBondContact O-CG 3.26Å; V78-Q82 PolarHBondContact O-N 3.25Å; V78-Q82 VanDerWaalsContact O-N 3.11Å
79K96.4Very high94Very high145 Ų145108.5 Ų108.563%0.6356%0.564SS**Hα-helixtrans-63.4-43178.4-72.3-178.9179.4-170.10112.3R75 L76 T81 Q82 L83R75-K79 WeakPolarHBondContact O-CG 3.47Å; R75-K79 PolarHBondContact O-N 3.31Å; L76-K79 PolarHBondContact O-N 3.32Å; L76-K79 VanDerWaalsContact O-N 3.12Å; K79-T81 VanDerWaalsContact C-N 3.34Å; K79-T81 PolarHBondContact O-N 3.44Å; K79-Q82 PolarHBondContact O-N 3.13Å; K79-L83 WeakPolarHBondContact O-CG 3.39Å; K79-L83 PolarHBondContact O-N 3.1Å
80V96.6Very high93.2Very high84 Ų84110.8 Ų110.851%0.50958%0.581SS.*Hα-helixtrans-65.8-38.3-179.4170.70000111.5L76 A77 V78 Q82 L83L76-V80 HydrophobicContact CD1-CG2 4.07Å; L76-V80 HydrophobicContact CG-CG2 4.17Å; L76-V80 WeakPolarHBondContact O-CG2 3.3Å; L76-V80 PolarHBondContact O-N 2.78Å; A77-V80 PolarHBondContact O-N 2.92Å; V78-V80 PolarHBondContact O-N 3.26Å; V80-Q82 VanDerWaalsContact C-N 3.32Å; V80-L83 PolarHBondContact O-N 3.11Å
81T95.5Very high92.5Very high116 Ų116108.5 Ų108.571%0.71258%0.576SS**Hα-helixtrans-73.5-23177.748.70000113.5A77 V78 K79A77-T81 WeakPolarHBondContact O-CB 3.45Å; A77-T81 WeakPolarHBondContact O-CG2 3.44Å; A77-T81 PolarHBondContact O-N 3.45Å; A77-T81 PolarHBondContact O-OG1 2.9Å; V78-T81 WeakPolarHBondContact CA-OG1 3.29Å; V78-T81 PolarHBondContact O-N 3.45Å; V78-T81 PolarHBondContact O-OG1 2.91Å; K79-T81 VanDerWaalsContact C-N 3.34Å; K79-T81 PolarHBondContact O-N 3.44Å
82Q94Very high91.8Very high147 Ų147110.8 Ų110.869%0.68759%0.587SS**THydrogen-bonded Turntrans-88.5-4.7175.3-69.8176.58.200113.7V78 K79 V80 D84V78-Q82 VanDerWaalsContact CG1-NE2 3.25Å; V78-Q82 WeakPolarHBondContact O-CB 3.44Å; V78-Q82 VanDerWaalsContact O-CG 3.28Å; V78-Q82 WeakPolarHBondContact O-CG 3.26Å; V78-Q82 PolarHBondContact O-N 3.25Å; V78-Q82 VanDerWaalsContact O-N 3.11Å; K79-Q82 PolarHBondContact O-N 3.13Å; V80-Q82 VanDerWaalsContact C-N 3.32Å; Q82-D84 PolarHBondContact O-N 3.14Å
83L92.6Very high91.2Very high106 Ų106109.7 Ų109.756%0.55559%0.589SS**  trans-67.2125.3176.9-78.8164.5000110.2K79 V80K79-L83 WeakPolarHBondContact O-CG 3.39Å; K79-L83 PolarHBondContact O-N 3.1Å; V80-L83 PolarHBondContact O-N 3.11Å
84D91.6Very high90.6Very high82 Ų82108.9 Ų108.944%0.43959%0.585SS.*  trans-109.5100.9171.9-174.6-9.4000109.3Q82 T86 V87 E88Q82-D84 PolarHBondContact O-N 3.14Å; D84-T86 PolarHBondContact O-N 2.9Å; D84-T86 WeakPolarHBondContact OD1-CB 3.48Å; D84-T86 PolarHBondContact OD1-N 3.16Å; D84-T86 PolarHBondContact OD1-OG1 3.2Å; D84-T86 PolarHBondContact OD2-OG1 2.57Å; D84-V87 HydrophobicContact CB-CB 4.5Å; D84-V87 PolarHBondContact O-N 3.15Å; D84-V87 WeakPolarHBondContact OD2-CG2 3.41Å; D84-E88 PolarHBondContact O-N 3.31Å; D84-E88 VanDerWaalsContact O-N 3.12Å
85S84Confident89.8Confident104 Ų104110.8 Ų110.873%0.72759%0.594SS**THydrogen-bonded Turntrans-67.2-13.1-179.659.70000113.7
86T85.3Confident89.2Confident123 Ų123111.1 Ų111.176%0.75561%0.606SS**THydrogen-bonded Turntrans-81.1-19.6176.470.30000112.6D84D84-T86 PolarHBondContact O-N 2.9Å; D84-T86 WeakPolarHBondContact OD1-CB 3.48Å; D84-T86 PolarHBondContact OD1-N 3.16Å; D84-T86 PolarHBondContact OD1-OG1 3.2Å; D84-T86 PolarHBondContact OD2-OG1 2.57Å
87V85.8Confident88.9Confident104 Ų104113.7 Ų113.763%0.6362%0.617SS**THydrogen-bonded Turntrans-107.5-21.1-179.3-178.60000111.9D84 E89D84-V87 HydrophobicContact CB-CB 4.5Å; D84-V87 PolarHBondContact O-N 3.15Å; D84-V87 WeakPolarHBondContact OD2-CG2 3.41Å; V87-E89 PolarHBondContact O-N 3.23Å; V87-E89 VanDerWaalsContact O-N 3.16Å
88E82.9Confident88.5Confident128 Ų128117.4 Ų117.460%0.59862%0.624SS**  trans-72.6104.9-178.7-169174.9-17800112.4D84D84-E88 PolarHBondContact O-N 3.31Å; D84-E88 VanDerWaalsContact O-N 3.12Å
89E85.7Confident88.4Confident182 Ų182123.8 Ų123.885%0.8565%0.646SS**  trans-85.5130.8175.5-66.1-175.9178.900112V87 S91V87-E89 PolarHBondContact O-N 3.23Å; V87-E89 VanDerWaalsContact O-N 3.16Å; E89-S91 PolarHBondContact O-N 3.39Å
90V81.6Confident88.2Confident140 Ų140120.5 Ų120.585%0.84865%0.646SS**  trans-79.9107.1176.1-177.90000109.9
91S83.6Confident88.2Confident44 Ų44125.2 Ų125.231%0.30866%0.66SS.*  trans-82.1121.1179.2-1780000112.4E89 Q93 D94E89-S91 PolarHBondContact O-N 3.39Å; S91-Q93 PolarHBondContact O-N 3.32Å; S91-Q93 WeakPolarHBondContact OG-CB 2.93Å; S91-Q93 PolarHBondContact OG-N 2.86Å; S91-D94 WeakPolarHBondContact O-CB 3.34Å; S91-D94 PolarHBondContact O-N 3.07Å
92L84.9Confident88.3Confident129 Ų129128 Ų12868%0.67566%0.662SS**THydrogen-bonded Turntrans-66.7-18.1170.5-63.6176.5000112.7D94 I95L92-D94 PolarHBondContact O-N 2.71Å; L92-I95 HydrophobicContact CD2-CD1 3.77Å; L92-I95 PolarHBondContact O-N 3.15Å
93Q85.1Confident88.4Confident136 Ų136124.8 Ų124.864%0.63666%0.656SS**Hα-helixtrans-64.9-29.7175.1-60.2177.5-1000111S91 I95 N96 M97S91-Q93 PolarHBondContact O-N 3.32Å; S91-Q93 WeakPolarHBondContact OG-CB 2.93Å; S91-Q93 PolarHBondContact OG-N 2.86Å; Q93-I95 VanDerWaalsContact C-N 3.25Å; Q93-I95 PolarHBondContact O-N 2.97Å; Q93-N96 PolarHBondContact O-N 2.89Å; Q93-M97 VanDerWaalsContact O-CB 3.27Å; Q93-M97 WeakPolarHBondContact O-CB 3.36Å; Q93-M97 WeakPolarHBondContact O-CG 3.43Å; Q93-M97 PolarHBondContact O-N 3.07Å
94D85.8Confident88.6Confident64 Ų64124.3 Ų124.334%0.34266%0.662SS.*Hα-helixtrans-65.1-31.1178.8-72.5-4.9000112.3S91 L92 N96 K98S91-D94 WeakPolarHBondContact O-CB 3.34Å; S91-D94 PolarHBondContact O-N 3.07Å; L92-D94 PolarHBondContact O-N 2.71Å; D94-N96 VanDerWaalsContact C-N 3.32Å; D94-N96 PolarHBondContact O-N 3.03Å; D94-K98 HydrophobicContact CB-CD 3.96Å; D94-K98 HydrophobicContact CB-CG 4.38Å; D94-K98 WeakPolarHBondContact O-CB 3.43Å; D94-K98 PolarHBondContact O-N 3.41Å; D94-K98 VanDerWaalsContact O-N 3.12Å; D94-K98 WeakPolarHBondContact OD1-CD 3.36Å; D94-K98 WeakPolarHBondContact OD1-CE 3.36Å; D94-K98 IonicContact OD1-NZ 2.79Å; D94-K98 PolarHBondContact OD1-NZ 3.28Å; D94-K98 IonicContact OD2-NZ 2.74Å; D94-K98 PolarHBondContact OD2-NZ 3.08Å
95I82.3Confident88.9Confident123 Ų123126.1 Ų126.163%0.63168%0.676SS**Hα-helixtrans-65.9-37.9179.7-58.5174.9000110.9L92 Q93L92-I95 HydrophobicContact CD2-CD1 3.77Å; L92-I95 PolarHBondContact O-N 3.15Å; Q93-I95 VanDerWaalsContact C-N 3.25Å; Q93-I95 PolarHBondContact O-N 2.97Å
96N86.6Confident89.5Confident147 Ų147128 Ų12879%0.78668%0.676SS**Hα-helixtrans-99.8-28.3-174.9-69.6-35.8000113.4Q93 D94Q93-N96 PolarHBondContact O-N 2.89Å; D94-N96 VanDerWaalsContact C-N 3.32Å; D94-N96 PolarHBondContact O-N 3.03Å
97M90.8Very high90Very high158 Ų158129.2 Ų129.278%0.77867%0.673SS**Hα-helixtrans-107.6-19.1-172.4-57-163.173.400114.2Q93Q93-M97 VanDerWaalsContact O-CB 3.27Å; Q93-M97 WeakPolarHBondContact O-CB 3.36Å; Q93-M97 WeakPolarHBondContact O-CG 3.43Å; Q93-M97 PolarHBondContact O-N 3.07Å
98K90.9Very high90.4Very high129 Ų129131.2 Ų131.256%0.56168%0.681SS**SBendtrans-99.7137.9173.9-65.6-178-177.8157.40110.3D94 A100D94-K98 HydrophobicContact CB-CD 3.96Å; D94-K98 HydrophobicContact CB-CG 4.38Å; D94-K98 WeakPolarHBondContact O-CB 3.43Å; D94-K98 PolarHBondContact O-N 3.41Å; D94-K98 VanDerWaalsContact O-N 3.12Å; D94-K98 WeakPolarHBondContact OD1-CD 3.36Å; D94-K98 WeakPolarHBondContact OD1-CE 3.36Å; D94-K98 IonicContact OD1-NZ 2.79Å; D94-K98 PolarHBondContact OD1-NZ 3.28Å; D94-K98 IonicContact OD2-NZ 2.74Å; D94-K98 PolarHBondContact OD2-NZ 3.08Å; K98-A100 PolarHBondContact O-N 3.02Å
99K94.1Very high90.9Very high208 Ų208132.1 Ų132.190%0.90469%0.685SS**PPolyproline II helixtrans-66.3136.4170.8-67.4-178.1-179.5178.70109.1
100A93.1Very high91.1Very high77 Ų77131.5 Ų131.564%0.63668%0.682SS**PPolyproline II helixtrans-59.2147.3173.300000111.2K98 K102K98-A100 PolarHBondContact O-N 3.02Å; A100-K102 PolarHBondContact O-N 2.96Å
101F95.8Very high91.5Very high183 Ų183129.9 Ų129.980%0.80367%0.672SS**PPolyproline II helixtrans-56138.9172.9171.9-100.6000110.9
102K97.1Very high91.8Very high174 Ų174134.5 Ų134.576%0.75770%0.698SS**  trans-126.3128.1173.1-63.7-64.6-178.8-177.60109A100A100-K102 PolarHBondContact O-N 2.96Å
103S97.1Very high92.1Very high80 Ų80129.9 Ų129.956%0.55968%0.676SS**  trans-75.1160.9168.651.90000110.6T105S103-T105 PolarHBondContact O-N 3.37Å
104S96.8Very high92.3Very high96 Ų96131.4 Ų131.467%0.67168%0.681SS**  trans-63133.7171-177.30000110.2
105T96.9Very high92.5Very high119 Ų119135.2 Ų135.273%0.7370%0.701SS**  trans-121.123.4175.862.50000111.8S103 Q107S103-T105 PolarHBondContact O-N 3.37Å; T105-Q107 PolarHBondContact O-N 3.22Å
106I96.6Very high92.9Very high144 Ų144132 Ų13274%0.73869%0.69SS**  trans-63.1132.6178.6-61.6170000108.7
107Q95.9Very high93Very high148 Ų148128 Ų12869%0.69267%0.668SS**  trans-126.4128176.5-66.2-1781.300109.1T105 Q109T105-Q107 PolarHBondContact O-N 3.22Å; Q107-Q109 PolarHBondContact O-N 2.91Å
108D93.9Very high92.9Very high147 Ų147122.3 Ų122.379%0.78664%0.642SS**  trans-71.2129.5176.9-63.8-22.4000110
109Q93.5Very high92.8Very high147 Ų147121 Ų12169%0.68764%0.641SS**  trans-135.8164.1-178.9-63.4-18038.700109.2Q107 V111Q107-Q109 PolarHBondContact O-N 2.91Å; Q109-V111 VanDerWaalsContact C-N 3.27Å; Q109-V111 PolarHBondContact O-N 3.37Å
110Q90.9Very high92.5Very high169 Ų169111.3 Ų111.379%0.7960%0.6SS**  trans55.340.8-179-53.7-174.51.900113.2V112 S113Q110-V112 PolarHBondContact O-N 3.25Å; Q110-S113 WeakPolarHBondContact O-CB 3.5Å; Q110-S113 PolarHBondContact O-N 3.04Å
111V90.1Very high92.3Very high106 Ų106109.5 Ų109.564%0.64258%0.581SS**  trans-62.2-16.5-174.3-59.80000114.4Q109 S116Q109-V111 VanDerWaalsContact C-N 3.27Å; Q109-V111 PolarHBondContact O-N 3.37Å; V111-S116 WeakPolarHBondContact O-CB 3.29Å; V111-S116 PolarHBondContact O-OG 3.34Å
112V89.4Confident92.1Very high140 Ų140102 Ų10285%0.84855%0.553SS**SBendtrans-112.869.3174.9-165.90000109.1Q110Q110-V112 PolarHBondContact O-N 3.25Å
113S90.9Very high91.7Very high32 Ų3296.7 Ų96.722%0.22453%0.533CS..SBendtrans-110.3169.1176.2116.60000110Q110 N115 S116Q110-S113 WeakPolarHBondContact O-CB 3.5Å; Q110-S113 PolarHBondContact O-N 3.04Å; S113-N115 PolarHBondContact O-N 3.18Å; S113-N115 VanDerWaalsContact O-N 3.16Å; S113-N115 PolarHBondContact OG-N 2.9Å; S113-N115 PolarHBondContact OG-OD1 3.45Å; S113-S116 PolarHBondContact N-OG 3.38Å; S113-S116 PolarHBondContact O-N 2.93Å; S113-S116 PolarHBondContact O-OG 2.88Å; S113-S116 VanDerWaalsContact O-OG 3.07Å
114K90.2Very high91.3Very high168 Ų16896.2 Ų96.273%0.7352%0.523SS*.G310 helixtrans-58.3-28.6177.8-67.5-172.1178.1-176.30113.1S116 I117K114-S116 VanDerWaalsContact C-N 3.35Å; K114-I117 HydrophobicContact CB-CD1 4.43Å; K114-I117 WeakPolarHBondContact O-CG1 3.43Å
115N89.5Confident91Very high145 Ų14598.7 Ų98.778%0.77552%0.519SS*.G310 helixtrans-79.3-16179.568.311.4000113.8S113S113-N115 PolarHBondContact O-N 3.18Å; S113-N115 VanDerWaalsContact O-N 3.16Å; S113-N115 PolarHBondContact OG-N 2.9Å; S113-N115 PolarHBondContact OG-OD1 3.45Å
116S90.8Very high90.8Very high55 Ų5598 Ų9839%0.38551%0.511SS..G310 helixtrans-100.17.4178.465.70000112.4V111 S113 K114 P118V111-S116 WeakPolarHBondContact O-CB 3.29Å; V111-S116 PolarHBondContact O-OG 3.34Å; S113-S116 PolarHBondContact N-OG 3.38Å; S113-S116 PolarHBondContact O-N 2.93Å; S113-S116 PolarHBondContact O-OG 2.88Å; S113-S116 VanDerWaalsContact O-OG 3.07Å; K114-S116 VanDerWaalsContact C-N 3.35Å; S116-P118 WeakPolarHBondContact O-CD 3.36Å
117I89.4Confident90.6Very high63 Ų6397.9 Ų97.932%0.32351%0.507SS..  trans-68.9122.5176.2-63.1178.1000108.9K114 V121 A122K114-I117 HydrophobicContact CB-CD1 4.43Å; K114-I117 WeakPolarHBondContact O-CG1 3.43Å; I117-V121 HydrophobicContact CG2-CB 3.79Å; I117-V121 HydrophobicContact CG2-CG1 3.81Å; I117-A122 HydrophobicContact CG2-CB 4Å
118P88.9Confident90.5Very high38 Ų3893.7 Ų93.725%0.24749%0.494CS..  trans-63.4145.3174.9-21.533.5000111.8K5 S116 P120 V121 A122K5-P118 HydrophobicContact CD-CG 4.49Å; S116-P118 WeakPolarHBondContact O-CD 3.36Å; P118-P120 VanDerWaalsContact C-CD 3.43Å; P118-P120 VanDerWaalsContact C-N 3.32Å; P118-P120 VanDerWaalsContact O-N 3.14Å; P118-V121 HydrophobicContact CB-CG2 4.41Å; P118-V121 HydrophobicContact CG-CG2 4.39Å; P118-V121 WeakPolarHBondContact O-CA 3.44Å; P118-V121 WeakPolarHBondContact O-CB 3.17Å; P118-V121 PolarHBondContact O-N 3.47Å; P118-A122 PolarHBondContact O-N 2.95Å
119N88.3Confident90.6Very high101 Ų10194.6 Ų94.654%0.5450%0.499SS..Hα-helixtrans-47-45-179.4-66-13.3000113.9V121 A122 D123N119-V121 VanDerWaalsContact C-N 3.31Å; N119-V121 PolarHBondContact O-N 3.45Å; N119-A122 WeakPolarHBondContact O-CB 3.34Å; N119-A122 PolarHBondContact O-N 2.97Å; N119-A122 VanDerWaalsContact O-N 3.15Å; N119-D123 PolarHBondContact O-N 3.34Å
120P88.1Confident90.7Very high5 Ų596 Ų963%0.03250%0.503CS..Hα-helixtrans-62.9-35.6178.1-25.435.7000114.4K5 R6 P118 D123 I124K5-P120 WeakPolarHBondContact O-CB 3.47Å; R6-P120 HydrophobicContact CG-CB 4Å; R6-P120 HydrophobicContact CG-CG 3.76Å; P118-P120 VanDerWaalsContact C-CD 3.43Å; P118-P120 VanDerWaalsContact C-N 3.32Å; P118-P120 VanDerWaalsContact O-N 3.14Å; P120-D123 PolarHBondContact O-N 3.42Å; P120-I124 VanDerWaalsContact O-CG1 3.32Å; P120-I124 WeakPolarHBondContact O-CG1 3.36Å; P120-I124 PolarHBondContact O-N 2.88Å; P120-I124 VanDerWaalsContact O-N 3.15Å
121V88.9Confident90.9Very high39 Ų3990.7 Ų90.724%0.23648%0.483CS..Hα-helixtrans-73-37.1177.9-179.90000109.5K5 I117 P118 N119 I124 Y125K5-V121 HydrophobicContact CG-CG2 4.41Å; I117-V121 HydrophobicContact CG2-CB 3.79Å; I117-V121 HydrophobicContact CG2-CG1 3.81Å; P118-V121 HydrophobicContact CB-CG2 4.41Å; P118-V121 HydrophobicContact CG-CG2 4.39Å; P118-V121 WeakPolarHBondContact O-CA 3.44Å; P118-V121 WeakPolarHBondContact O-CB 3.17Å; P118-V121 PolarHBondContact O-N 3.47Å; N119-V121 VanDerWaalsContact C-N 3.31Å; N119-V121 PolarHBondContact O-N 3.45Å; V121-I124 PolarHBondContact O-N 3.34Å; V121-Y125 VanDerWaalsContact O-CB 3.31Å; V121-Y125 WeakPolarHBondContact O-CB 3.43Å; V121-Y125 PolarHBondContact O-N 3.22Å
122A90Very high91.2Very high27 Ų2788.5 Ų88.522%0.22347%0.471CS..Hα-helixtrans-62.7-42.5173.200000111.5I117 P118 N119 I124 Y125 N126I117-A122 HydrophobicContact CG2-CB 4Å; P118-A122 PolarHBondContact O-N 2.95Å; N119-A122 WeakPolarHBondContact O-CB 3.34Å; N119-A122 PolarHBondContact O-N 2.97Å; N119-A122 VanDerWaalsContact O-N 3.15Å; A122-I124 PolarHBondContact O-N 2.91Å; A122-Y125 PolarHBondContact O-N 3.43Å; A122-N126 WeakPolarHBondContact O-CB 3.31Å; A122-N126 PolarHBondContact O-N 3.07Å; A122-N126 PolarHBondContact O-ND2 2.8Å; A122-N126 VanDerWaalsContact O-ND2 3.12Å
123D88.9Confident91.5Very high62 Ų6286.4 Ų86.433%0.33246%0.46SS..Hα-helixtrans-59.7-44.6175.9-77.1-2.8000111.6K46 N119 P120 N126 Q127K46-D123 IonicContact NZ-OD2 3.15Å; K46-D123 PolarHBondContact NZ-OD2 3.1Å; N119-D123 PolarHBondContact O-N 3.34Å; P120-D123 PolarHBondContact O-N 3.42Å; D123-N126 PolarHBondContact O-N 2.82Å; D123-Q127 WeakPolarHBondContact O-CG 3.43Å; D123-Q127 PolarHBondContact O-N 2.72Å; D123-Q127 PolarHBondContact O-NE2 3.12Å
124I89.6Confident91.7Very high70 Ų7087.2 Ų87.236%0.35946%0.462SS..Hα-helixtrans-65.6-44.1176.4-65.9165.1000110.7P120 V121 A122 N126 Q127 S128P120-I124 VanDerWaalsContact O-CG1 3.32Å; P120-I124 WeakPolarHBondContact O-CG1 3.36Å; P120-I124 PolarHBondContact O-N 2.88Å; P120-I124 VanDerWaalsContact O-N 3.15Å; V121-I124 PolarHBondContact O-N 3.34Å; A122-I124 PolarHBondContact O-N 2.91Å; I124-N126 VanDerWaalsContact C-N 3.32Å; I124-N126 PolarHBondContact O-N 3.32Å; I124-Q127 PolarHBondContact O-N 2.98Å; I124-S128 PolarHBondContact O-N 3.43Å; I124-S128 PolarHBondContact O-OG 2.86Å
125Y91.1Very high92Very high147 Ų14783 Ų8358%0.57645%0.447SS*.Hα-helixtrans-60.4-42178.2178.8-98.4000111.7V121 A122 Q127 S128V121-Y125 VanDerWaalsContact O-CB 3.31Å; V121-Y125 WeakPolarHBondContact O-CB 3.43Å; V121-Y125 PolarHBondContact O-N 3.22Å; A122-Y125 PolarHBondContact O-N 3.43Å; Y125-Q127 VanDerWaalsContact C-N 3.32Å; Y125-Q127 PolarHBondContact O-N 2.92Å; Y125-S128 WeakPolarHBondContact O-CB 3.34Å; Y125-S128 PolarHBondContact O-N 2.9Å
126N92.5Very high92.3Very high104 Ų10481.5 Ų81.556%0.55644%0.438SS*.Hα-helixtrans-70.5-27.1-179.1-71.1-28.2000113.6A122 D123 I124 S128A122-N126 WeakPolarHBondContact O-CB 3.31Å; A122-N126 PolarHBondContact O-N 3.07Å; A122-N126 PolarHBondContact O-ND2 2.8Å; A122-N126 VanDerWaalsContact O-ND2 3.12Å; D123-N126 PolarHBondContact O-N 2.82Å; I124-N126 VanDerWaalsContact C-N 3.32Å; I124-N126 PolarHBondContact O-N 3.32Å; N126-S128 VanDerWaalsContact C-N 3.34Å
127Q91Very high92.5Very high142 Ų14283.4 Ų83.466%0.66444%0.444SS*.Hα-helixtrans-82.6-12.5174.3-71.217278.200113.1D123 I124 Y125D123-Q127 WeakPolarHBondContact O-CG 3.43Å; D123-Q127 PolarHBondContact O-N 2.72Å; D123-Q127 PolarHBondContact O-NE2 3.12Å; I124-Q127 PolarHBondContact O-N 2.98Å; Y125-Q127 VanDerWaalsContact C-N 3.32Å; Y125-Q127 PolarHBondContact O-N 2.92Å
128S93.5Very high92.8Very high60 Ų6081.5 Ų81.542%0.4244%0.436SS..SBendtrans-76.3157.6179.8-590000111.7I124 Y125 N126 K130I124-S128 PolarHBondContact O-N 3.43Å; I124-S128 PolarHBondContact O-OG 2.86Å; Y125-S128 WeakPolarHBondContact O-CB 3.34Å; Y125-S128 PolarHBondContact O-N 2.9Å; N126-S128 VanDerWaalsContact C-N 3.34Å; S128-K130 PolarHBondContact O-N 3.48Å
129D96.6Very high93.2Very high167 Ų16784.7 Ų84.789%0.89346%0.457SS*.PPolyproline II helixtrans-61.1128.7177.5-67.9-31.5000111.3
130K95.6Very high93.6Very high176 Ų17689.1 Ų89.177%0.76547%0.467SS*.PPolyproline II helixtrans-80.5148.2177.7-65.5179.6-176.3176.70110S128S128-K130 PolarHBondContact O-N 3.48Å
131P95.9Very high94Very high58 Ų5893 Ų9338%0.37748%0.481SS..PPolyproline II helixtrans-62154.9174.528.5-35.7000110.6L148 Y151P131-L148 HydrophobicContact CB-CD1 3.85Å; P131-L148 HydrophobicContact CG-CD1 4.03Å; P131-Y151 HydrophobicContact CB-CD1 3.99Å; P131-Y151 HydrophobicContact CB-CE1 3.73Å
132P96.2Very high94.4Very high60 Ų6099.3 Ų99.339%0.3951%0.513SS..PPolyproline II helixtrans-53142.7172.6-24.333.8000110.8L134P132-L134 HydrophobicContact CB-CD2 4.26Å; P132-L134 HydrophobicContact CB-CG 4.18Å; P132-L134 PolarHBondContact O-N 3.26Å
133P95.4Very high94.6Very high95 Ų95101.1 Ų101.162%0.61752%0.519SS*.  trans-76.958.1-174.233.1-37.3000111.8N135 I136P133-N135 PolarHBondContact O-N 2.96Å; P133-N135 VanDerWaalsContact O-N 3.1Å; P133-I136 HydrophobicContact CB-CG2 4.49Å; P133-I136 VanDerWaalsContact O-CG1 3.23Å; P133-I136 WeakPolarHBondContact O-CG1 3.15Å; P133-I136 WeakPolarHBondContact O-CG2 3.28Å; P133-I136 PolarHBondContact O-N 2.73Å
134L96.2Very high94.8Very high50 Ų50107.3 Ų107.326%0.26254%0.543SS..G310 helixtrans-64.9-15.6-176.9-60.2178.5000113.1P132 I136 L137 Y151P132-L134 HydrophobicContact CB-CD2 4.26Å; P132-L134 HydrophobicContact CB-CG 4.18Å; P132-L134 PolarHBondContact O-N 3.26Å; L134-I136 PolarHBondContact O-N 2.99Å; L134-L137 HydrophobicContact CD2-CD1 4.1Å; L134-L137 WeakPolarHBondContact O-CB 3.42Å; L134-L137 PolarHBondContact O-N 2.89Å; L134-Y151 HydrophobicContact CD1-CD2 4.33Å; L134-Y151 HydrophobicContact CD1-CG 4.07Å
135N94.8Very high95.1Very high78 Ų78110.1 Ų110.142%0.41755%0.553SS.*G310 helixtrans-59.7-24.2174.8-71.1-4.1000113.4P133 L137 S138 D146 L148P133-N135 PolarHBondContact O-N 2.96Å; P133-N135 VanDerWaalsContact O-N 3.1Å; N135-L137 PolarHBondContact O-N 3.46Å; N135-S138 WeakPolarHBondContact CA-OG 3.32Å; N135-S138 WeakPolarHBondContact O-CB 3.46Å; N135-S138 PolarHBondContact O-N 2.66Å; N135-S138 PolarHBondContact O-OG 3.4Å; N135-D146 PolarHBondContact OD1-OD1 3.15Å; N135-L148 WeakPolarHBondContact OD1-CB 3.32Å; N135-L148 PolarHBondContact OD1-N 3.5Å
136I96.8Very high95.3Very high115 Ų115106 Ų10659%0.5954%0.541SS*.G310 helixtrans-65.7-22.3175.672.7-169.4000112.3P133 L134P133-I136 HydrophobicContact CB-CG2 4.49Å; P133-I136 VanDerWaalsContact O-CG1 3.23Å; P133-I136 WeakPolarHBondContact O-CG1 3.15Å; P133-I136 WeakPolarHBondContact O-CG2 3.28Å; P133-I136 PolarHBondContact O-N 2.73Å; L134-I136 PolarHBondContact O-N 2.99Å
137L95.7Very high95.4Very high95 Ų95101.3 Ų101.350%0.49752%0.517SS..G310 helixtrans-91.3-15.8179.9-64151.3000111.9L134 N135 P139 Y140L134-L137 HydrophobicContact CD2-CD1 4.1Å; L134-L137 WeakPolarHBondContact O-CB 3.42Å; L134-L137 PolarHBondContact O-N 2.89Å; N135-L137 PolarHBondContact O-N 3.46Å; L137-P139 VanDerWaalsContact C-CD 3.42Å; L137-P139 VanDerWaalsContact C-N 3.34Å; L137-Y140 PolarHBondContact O-N 3.45Å
138S95.6Very high95.7Very high22 Ų2296.2 Ų96.215%0.15449%0.494CS..G310 helixtrans-52.8-40.8-179-56.40000113.7N135 Y140 R141 D146 G147N135-S138 WeakPolarHBondContact CA-OG 3.32Å; N135-S138 WeakPolarHBondContact O-CB 3.46Å; N135-S138 PolarHBondContact O-N 2.66Å; N135-S138 PolarHBondContact O-OG 3.4Å; S138-Y140 PolarHBondContact O-N 3.33Å; S138-R141 PolarHBondContact O-N 3.29Å; S138-D146 PolarHBondContact OG-OD1 2.91Å; S138-G147 PolarHBondContact OG-N 3.46Å
139P96.9Very high95.8Very high106 Ų10697.6 Ų97.669%0.68849%0.493SS*.G310 helixtrans-64.2-20.5177.8-2435.9000115.1L137L137-P139 VanDerWaalsContact C-CD 3.42Å; L137-P139 VanDerWaalsContact C-N 3.34Å
140Y95.9Very high95.8Very high193 Ų19395.6 Ų95.676%0.75748%0.476SS*.G310 helixtrans-95.56.4-177.3-55.4-81.5000112.8L137 S138L137-Y140 PolarHBondContact O-N 3.45Å; S138-Y140 PolarHBondContact O-N 3.33Å
141R96.1Very high95.8Very high88 Ų8894.1 Ų94.133%0.33247%0.467SS..  trans-92.4135-179.5-62.5-175.859.180.57.7111.8S138 D143 K144 K145 F150S138-R141 PolarHBondContact O-N 3.29Å; R141-D143 VanDerWaalsContact C-N 3.32Å; R141-D143 WeakPolarHBondContact CB-OD1 3.41Å; R141-D143 IonicContact CZ-OD1 2.92Å; R141-D143 IonicContact CZ-OD2 3.97Å; R141-D143 IonicContact NE-OD1 3.62Å; R141-D143 PolarHBondContact NE-OD1 3.06Å; R141-D143 IonicContact NE-OD2 3.13Å; R141-D143 VanDerWaalsContact NH2-CG 3.31Å; R141-D143 IonicContact NH2-OD1 3.29Å; R141-D143 PolarHBondContact NH2-OD1 2.96Å; R141-D143 IonicContact NH2-OD2 2.72Å; R141-D143 PolarHBondContact NH2-OD2 3.21Å; R141-D143 PolarHBondContact O-N 3.37Å; R141-K144 PolarHBondContact O-N 3.34Å; R141-K145 WeakPolarHBondContact CD-O 3.48Å; R141-F150 VanDerWaalsContact CZ-CE2 3.42Å; R141-F150 VanDerWaalsContact NH2-CE2 3.3Å
142D97.3Very high95.9Very high170 Ų17094.4 Ų94.491%0.90947%0.468SS*.THydrogen-bonded Turntrans-68.4-31.1177.5-58.5-37.3000113.1K144D142-K144 VanDerWaalsContact C-N 3.28Å; D142-K144 PolarHBondContact O-N 3.39Å
143D95.8Very high95.9Very high65 Ų6593.5 Ų93.535%0.34846%0.46SS..THydrogen-bonded Turntrans-81.4-3.5-176.968.1-1.7000114.3R141 K145 F150R141-D143 VanDerWaalsContact C-N 3.32Å; R141-D143 WeakPolarHBondContact CB-OD1 3.41Å; R141-D143 IonicContact CZ-OD1 2.92Å; R141-D143 IonicContact CZ-OD2 3.97Å; R141-D143 IonicContact NE-OD1 3.62Å; R141-D143 PolarHBondContact NE-OD1 3.06Å; R141-D143 IonicContact NE-OD2 3.13Å; R141-D143 VanDerWaalsContact NH2-CG 3.31Å; R141-D143 IonicContact NH2-OD1 3.29Å; R141-D143 PolarHBondContact NH2-OD1 2.96Å; R141-D143 IonicContact NH2-OD2 2.72Å; R141-D143 PolarHBondContact NH2-OD2 3.21Å; R141-D143 PolarHBondContact O-N 3.37Å; D143-K145 HydrophobicContact CB-CD 4.45Å; D143-K145 HydrophobicContact CB-CG 4.22Å; D143-K145 PolarHBondContact O-N 2.88Å; D143-K145 PolarHBondContact OD1-N 2.9Å; D143-K145 VanDerWaalsContact OD1-N 3.08Å; D143-K145 WeakPolarHBondContact OD2-CD 3.46Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.42Å
144K93.4Very high95.8Very high193 Ų19393.8 Ų93.884%0.83946%0.462SS*.  trans53.622.2-176.6-55.2-179.2-178.8178.70113.9R141 D142R141-K144 PolarHBondContact O-N 3.34Å; D142-K144 VanDerWaalsContact C-N 3.28Å; D142-K144 PolarHBondContact O-N 3.39Å
145K94.5Very high95.8Very high128 Ų12893.3 Ų93.356%0.55746%0.462SS*.  trans-87.7153.8176.7-65.9-175.8-176.2175.10110.3R141 D143 G147 F150R141-K145 WeakPolarHBondContact CD-O 3.48Å; D143-K145 HydrophobicContact CB-CD 4.45Å; D143-K145 HydrophobicContact CB-CG 4.22Å; D143-K145 PolarHBondContact O-N 2.88Å; D143-K145 PolarHBondContact OD1-N 2.9Å; D143-K145 VanDerWaalsContact OD1-N 3.08Å; D143-K145 WeakPolarHBondContact OD2-CD 3.46Å; K145-G147 PolarHBondContact O-N 3.41Å; K145-F150 HydrophobicContact CB-CE2 3.79Å; K145-F150 HydrophobicContact CB-CZ 4.14Å; K145-F150 HydrophobicContact CD-CE2 4.44Å; K145-F150 HydrophobicContact CD-CZ 3.99Å
146D95Very high95.9Very high60 Ų6095.8 Ų95.832%0.32147%0.467SS..  trans-69.7122.1175.8-170.915.7000110.8N135 S138 L148 K149 F150N135-D146 PolarHBondContact OD1-OD1 3.15Å; S138-D146 PolarHBondContact OG-OD1 2.91Å; D146-L148 VanDerWaalsContact C-N 3.26Å; D146-L148 PolarHBondContact O-N 2.98Å; D146-K149 HydrophobicContact CB-CB 4.5Å; D146-K149 HydrophobicContact CB-CD 4.11Å; D146-K149 HydrophobicContact CB-CG 4.1Å; D146-K149 WeakPolarHBondContact O-CB 3.38Å; D146-K149 PolarHBondContact O-N 3.21Å; D146-K149 VanDerWaalsContact O-N 3.09Å; D146-F150 WeakPolarHBondContact O-CD2 3.4Å
147G95.5Very high95.9Very high7 Ų798 Ų987%0.07247%0.472CS..G310 helixtrans-58.1-36-178.800000112.8S138 K145 K149 F150S138-G147 PolarHBondContact OG-N 3.46Å; K145-G147 PolarHBondContact O-N 3.41Å; G147-K149 VanDerWaalsContact C-N 3.3Å; G147-K149 PolarHBondContact O-N 2.91Å; G147-F150 PolarHBondContact O-N 3.07Å
148L96.5Very high96Very high34 Ų3499.3 Ų99.318%0.17847%0.474CS..G310 helixtrans-67.6-28.4178.2-17966.8000112.9P131 N135 D146 F150 Y151 T152P131-L148 HydrophobicContact CB-CD1 3.85Å; P131-L148 HydrophobicContact CG-CD1 4.03Å; N135-L148 WeakPolarHBondContact OD1-CB 3.32Å; N135-L148 PolarHBondContact OD1-N 3.5Å; D146-L148 VanDerWaalsContact C-N 3.26Å; D146-L148 PolarHBondContact O-N 2.98Å; L148-F150 PolarHBondContact O-N 3.1Å; L148-Y151 HydrophobicContact CD1-CD1 4.21Å; L148-Y151 CarbonylContact O-C 3.59Å; L148-Y151 WeakPolarHBondContact O-CA 3.44Å; L148-Y151 WeakPolarHBondContact O-CB 3.32Å; L148-Y151 PolarHBondContact O-N 3.09Å; L148-T152 HydrophobicContact CD1-CG2 3.85Å; L148-T152 HydrophobicContact CG-CG2 3.94Å; L148-T152 PolarHBondContact O-N 2.9Å; L148-T152 VanDerWaalsContact O-O 3.12Å
149K96.4Very high96.1Very high90 Ų90101.7 Ų101.739%0.39149%0.485SS..G310 helixtrans-62.5-23.3176.8-75.2-179.2158.9-99.10113.3D146 G147 Y151 T152 D153 S155D146-K149 HydrophobicContact CB-CB 4.5Å; D146-K149 HydrophobicContact CB-CD 4.11Å; D146-K149 HydrophobicContact CB-CG 4.1Å; D146-K149 WeakPolarHBondContact O-CB 3.38Å; D146-K149 PolarHBondContact O-N 3.21Å; D146-K149 VanDerWaalsContact O-N 3.09Å; G147-K149 VanDerWaalsContact C-N 3.3Å; G147-K149 PolarHBondContact O-N 2.91Å; K149-Y151 VanDerWaalsContact C-N 3.27Å; K149-T152 WeakPolarHBondContact CA-O 3.35Å; K149-D153 HydrophobicContact CB-CB 4.18Å; K149-D153 HydrophobicContact CG-CB 4.25Å; K149-D153 VanDerWaalsContact NZ-CG 3.27Å; K149-D153 IonicContact NZ-OD1 2.82Å; K149-D153 PolarHBondContact NZ-OD1 2.77Å; K149-D153 IonicContact NZ-OD2 3.48Å; K149-D153 PolarHBondContact NZ-OD2 2.91Å; K149-S155 PolarHBondContact NZ-OG 3.03Å; K149-S155 VanDerWaalsContact NZ-OG 3.13Å
150F95.4Very high96.1Very high124 Ų124100.5 Ų100.554%0.54447%0.473SS..G310 helixtrans-74.8-18.8173-67-92.2000113.2R141 D143 K145 D146 G147 L148R141-F150 VanDerWaalsContact CZ-CE2 3.42Å; R141-F150 VanDerWaalsContact NH2-CE2 3.3Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.42Å; K145-F150 HydrophobicContact CB-CE2 3.79Å; K145-F150 HydrophobicContact CB-CZ 4.14Å; K145-F150 HydrophobicContact CD-CE2 4.44Å; K145-F150 HydrophobicContact CD-CZ 3.99Å; D146-F150 WeakPolarHBondContact O-CD2 3.4Å; G147-F150 PolarHBondContact O-N 3.07Å; L148-F150 PolarHBondContact O-N 3.1Å
151Y97.1Very high96.2Very high145 Ų14596.4 Ų96.457%0.56946%0.456SS*.THydrogen-bonded Turntrans-98.4-44.8175.4179.8-93.4000111.7P131 L134 L148 K149P131-Y151 HydrophobicContact CB-CD1 3.99Å; P131-Y151 HydrophobicContact CB-CE1 3.73Å; L134-Y151 HydrophobicContact CD1-CD2 4.33Å; L134-Y151 HydrophobicContact CD1-CG 4.07Å; L148-Y151 HydrophobicContact CD1-CD1 4.21Å; L148-Y151 CarbonylContact O-C 3.59Å; L148-Y151 WeakPolarHBondContact O-CA 3.44Å; L148-Y151 WeakPolarHBondContact O-CB 3.32Å; L148-Y151 PolarHBondContact O-N 3.09Å; K149-Y151 VanDerWaalsContact C-N 3.27Å
152T96.7Very high96.2Very high64 Ų6497.9 Ų97.939%0.39347%0.465SS..  trans-149.3122.9177.8-173.90000110.5L148 K149L148-T152 HydrophobicContact CD1-CG2 3.85Å; L148-T152 HydrophobicContact CG-CG2 3.94Å; L148-T152 PolarHBondContact O-N 2.9Å; L148-T152 VanDerWaalsContact O-O 3.12Å; K149-T152 WeakPolarHBondContact CA-O 3.35Å
153D96.4Very high96.3Very high42 Ų4296.1 Ų96.123%0.22545%0.451CS..  trans-128.1100.6174.4-168.6-2.5000111.1K149 S155 Y156K149-D153 HydrophobicContact CB-CB 4.18Å; K149-D153 HydrophobicContact CG-CB 4.25Å; K149-D153 VanDerWaalsContact NZ-CG 3.27Å; K149-D153 IonicContact NZ-OD1 2.82Å; K149-D153 PolarHBondContact NZ-OD1 2.77Å; K149-D153 IonicContact NZ-OD2 3.48Å; K149-D153 PolarHBondContact NZ-OD2 2.91Å; D153-S155 PolarHBondContact O-N 3Å; D153-S155 PolarHBondContact OD1-N 2.79Å; D153-S155 PolarHBondContact OD1-OG 2.89Å; D153-Y156 VanDerWaalsContact O-CB 3.27Å; D153-Y156 WeakPolarHBondContact O-CB 3.25Å; D153-Y156 PolarHBondContact O-N 3.44Å
154P94.6Very high96.4Very high101 Ų10198.4 Ų98.466%0.65646%0.458SS*.THydrogen-bonded Turntrans-63.6-22.9176.5-23.934.9000114.2Y156P154-Y156 VanDerWaalsContact C-N 3.33Å
155S95.5Very high96.6Very high39 Ų3991.2 Ų91.227%0.27343%0.428SS..THydrogen-bonded Turntrans-80.4-16.5179.774.50000113K149 D153 F157 F158 D159K149-S155 PolarHBondContact NZ-OG 3.03Å; K149-S155 VanDerWaalsContact NZ-OG 3.13Å; D153-S155 PolarHBondContact O-N 3Å; D153-S155 PolarHBondContact OD1-N 2.79Å; D153-S155 PolarHBondContact OD1-OG 2.89Å; S155-F157 VanDerWaalsContact C-N 3.31Å; S155-F157 PolarHBondContact O-N 3.13Å; S155-F157 VanDerWaalsContact O-N 3.15Å; S155-F158 PolarHBondContact O-N 2.7Å; S155-D159 VanDerWaalsContact CB-OD2 3.32Å; S155-D159 WeakPolarHBondContact CB-OD2 3.49Å; S155-D159 VanDerWaalsContact O-CG 3.3Å; S155-D159 PolarHBondContact O-N 2.95Å; S155-D159 PolarHBondContact OG-OD2 3.35Å
156Y97.1Very high96.7Very high130 Ų13090.6 Ų90.651%0.5143%0.43SS..Hα-helixtrans-49.1-46.8-174.9177.1-99.7000113.8D153 P154 F158 D159 L160D153-Y156 VanDerWaalsContact O-CB 3.27Å; D153-Y156 WeakPolarHBondContact O-CB 3.25Å; D153-Y156 PolarHBondContact O-N 3.44Å; P154-Y156 VanDerWaalsContact C-N 3.33Å; Y156-F158 PolarHBondContact O-N 3.31Å; Y156-D159 PolarHBondContact O-N 3.28Å; Y156-L160 HydrophobicContact CE1-CD2 4.06Å; Y156-L160 VanDerWaalsContact O-CB 3.27Å; Y156-L160 WeakPolarHBondContact O-CB 3.44Å; Y156-L160 PolarHBondContact O-N 3.01Å
157F96.8Very high96.9Very high162 Ų16292.4 Ų92.471%0.71144%0.437SS*.Hα-helixtrans-63.3-42-178.5-64.4-72.9000112.5S155 W161S155-F157 VanDerWaalsContact C-N 3.31Å; S155-F157 PolarHBondContact O-N 3.13Å; S155-F157 VanDerWaalsContact O-N 3.15Å; F157-W161 VanDerWaalsContact O-CB 3.22Å; F157-W161 WeakPolarHBondContact O-CB 3.46Å; F157-W161 PolarHBondContact O-N 2.91Å
158F96.5Very high96.9Very high122 Ų12295.3 Ų95.354%0.53545%0.451SS..Hα-helixtrans-71-42.8178.5176.9-98.6000111S155 Y156 W161 K162S155-F158 PolarHBondContact O-N 2.7Å; Y156-F158 PolarHBondContact O-N 3.31Å; F158-W161 AromaticContact CD2-CE3 3.9Å; F158-W161 HydrophobicContact CD2-CE3 3.9Å; F158-W161 HydrophobicContact CD2-CZ3 4.13Å; F158-W161 AromaticContact CE2-CE3 3.83Å; F158-W161 HydrophobicContact CE2-CE3 3.83Å; F158-W161 AromaticContact CE2-CZ3 3.59Å; F158-W161 HydrophobicContact CE2-CZ3 3.59Å; F158-W161 HydrophobicContact CZ-CZ3 4.31Å; F158-W161 PolarHBondContact O-N 3.22Å; F158-K162 HydrophobicContact CE1-CD 4.22Å; F158-K162 VanDerWaalsContact O-CB 3.25Å; F158-K162 WeakPolarHBondContact O-CB 3.45Å; F158-K162 PolarHBondContact O-N 3.19Å
159D97.6Very high97Very high72 Ų7295.2 Ų95.239%0.38545%0.451SS..Hα-helixtrans-61.9-46.7-179.8-65.7-30000110.8S155 Y156 K162 E163S155-D159 VanDerWaalsContact CB-OD2 3.32Å; S155-D159 WeakPolarHBondContact CB-OD2 3.49Å; S155-D159 VanDerWaalsContact O-CG 3.3Å; S155-D159 PolarHBondContact O-N 2.95Å; S155-D159 PolarHBondContact OG-OD2 3.35Å; Y156-D159 PolarHBondContact O-N 3.28Å; D159-K162 PolarHBondContact O-N 3.15Å; D159-E163 WeakPolarHBondContact O-CB 3.49Å; D159-E163 PolarHBondContact O-N 3.49Å
160L97.5Very high97Very high81 Ų8194 Ų9442%0.42445%0.447SS..Hα-helixtrans-64.5-42.3176.5-175.465.7000112.2Y156 K164Y156-L160 HydrophobicContact CE1-CD2 4.06Å; Y156-L160 VanDerWaalsContact O-CB 3.27Å; Y156-L160 WeakPolarHBondContact O-CB 3.44Å; Y156-L160 PolarHBondContact O-N 3.01Å; L160-K164 WeakPolarHBondContact O-CB 3.31Å; L160-K164 PolarHBondContact O-N 3.36Å
161W97.9Very high97.1Very high107 Ų10791.6 Ų91.641%0.40544%0.44SS..Hα-helixtrans-62.4-46.2175.9168.881000111.4F157 F158 E163 K164 M165 L478F157-W161 VanDerWaalsContact O-CB 3.22Å; F157-W161 WeakPolarHBondContact O-CB 3.46Å; F157-W161 PolarHBondContact O-N 2.91Å; F158-W161 AromaticContact CD2-CE3 3.9Å; F158-W161 HydrophobicContact CD2-CE3 3.9Å; F158-W161 HydrophobicContact CD2-CZ3 4.13Å; F158-W161 AromaticContact CE2-CE3 3.83Å; F158-W161 HydrophobicContact CE2-CE3 3.83Å; F158-W161 AromaticContact CE2-CZ3 3.59Å; F158-W161 HydrophobicContact CE2-CZ3 3.59Å; F158-W161 HydrophobicContact CZ-CZ3 4.31Å; F158-W161 PolarHBondContact O-N 3.22Å; W161-E163 PolarHBondContact O-N 3.49Å; W161-K164 PolarHBondContact O-N 3.29Å; W161-M165 HydrophobicContact CD2-CG 4.05Å; W161-M165 VanDerWaalsContact CE2-CG 3.5Å; W161-M165 HydrophobicContact CG-CG 4.37Å; W161-M165 HydrophobicContact CH2-CG 4.49Å; W161-M165 HydrophobicContact CZ2-CG 3.77Å; W161-M165 VanDerWaalsContact O-CG 3.31Å; W161-M165 WeakPolarHBondContact O-CG 3.39Å; W161-M165 PolarHBondContact O-N 3.39Å; W161-L478 HydrophobicContact CH2-CD1 4.46Å
162K97.6Very high97Very high119 Ų11992.1 Ų92.152%0.51745%0.445SS..Hα-helixtrans-59.9-47.8178.8176.2-173.9173.4-174.30110.9F158 D159 K164 M165 L166F158-K162 HydrophobicContact CE1-CD 4.22Å; F158-K162 VanDerWaalsContact O-CB 3.25Å; F158-K162 WeakPolarHBondContact O-CB 3.45Å; F158-K162 PolarHBondContact O-N 3.19Å; D159-K162 PolarHBondContact O-N 3.15Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 3.33Å; K162-M165 PolarHBondContact O-N 2.81Å; K162-L166 PolarHBondContact O-N 2.95Å
163E98Very high97Very high134 Ų13492.7 Ų92.763%0.62644%0.44SS*.Hα-helixtrans-56.5-49.4175.9-178.5179.1-171.700110.9D159 W161 M165 L166 Q167D159-E163 WeakPolarHBondContact O-CB 3.49Å; D159-E163 PolarHBondContact O-N 3.49Å; W161-E163 PolarHBondContact O-N 3.49Å; E163-M165 PolarHBondContact O-N 3.03Å; E163-L166 PolarHBondContact O-N 3.32Å; E163-Q167 WeakPolarHBondContact O-CB 3.22Å; E163-Q167 PolarHBondContact O-N 3.3Å
164K97.8Very high97Very high113 Ų11396.1 Ų96.149%0.49145%0.453SS..Hα-helixtrans-59.1-45.5177.6178.6171171.241.30112.7L160 W161 K162 L166 Q167 D168L160-K164 WeakPolarHBondContact O-CB 3.31Å; L160-K164 PolarHBondContact O-N 3.36Å; W161-K164 PolarHBondContact O-N 3.29Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 3.33Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 PolarHBondContact O-N 3.25Å; K164-Q167 PolarHBondContact O-N 2.59Å; K164-D168 IonicContact NZ-OD1 2.83Å; K164-D168 PolarHBondContact NZ-OD1 3.04Å; K164-D168 VanDerWaalsContact NZ-OD1 3.08Å; K164-D168 IonicContact NZ-OD2 3.82Å; K164-D168 PolarHBondContact NZ-OD2 3.26Å; K164-D168 WeakPolarHBondContact O-CB 3.47Å; K164-D168 PolarHBondContact O-N 2.96Å
165M97.3Very high97Very high42 Ų4294.4 Ų94.421%0.20744%0.436CS..Hα-helixtrans-64.4-36.3-179.9-68.8-609200112.3W161 K162 E163 D168 T169 A475W161-M165 HydrophobicContact CD2-CG 4.05Å; W161-M165 VanDerWaalsContact CE2-CG 3.5Å; W161-M165 HydrophobicContact CG-CG 4.37Å; W161-M165 HydrophobicContact CH2-CG 4.49Å; W161-M165 HydrophobicContact CZ2-CG 3.77Å; W161-M165 VanDerWaalsContact O-CG 3.31Å; W161-M165 WeakPolarHBondContact O-CG 3.39Å; W161-M165 PolarHBondContact O-N 3.39Å; K162-M165 PolarHBondContact O-N 2.81Å; E163-M165 PolarHBondContact O-N 3.03Å; M165-D168 WeakPolarHBondContact CE-OD2 3.24Å; M165-T169 WeakPolarHBondContact O-CB 3.38Å; M165-T169 PolarHBondContact O-N 3.33Å; M165-T169 PolarHBondContact O-OG1 2.85Å; M165-A475 HydrophobicContact SD-CB 4.07Å
166L97.9Very high97Very high115 Ų115100.3 Ų100.360%0.60246%0.457SS*.Hα-helixtrans-69.5-42.1177.1-147.469.4000111.2K162 E163 K164 T169 E170K162-L166 PolarHBondContact O-N 2.95Å; E163-L166 PolarHBondContact O-N 3.32Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 PolarHBondContact O-N 3.25Å; L166-T169 WeakPolarHBondContact O-CB 3.39Å; L166-T169 PolarHBondContact O-N 3.43Å; L166-E170 PolarHBondContact O-N 3.02Å
167Q97.8Very high96.8Very high98 Ų98102 Ų10246%0.45846%0.462SS..Hα-helixtrans-62.3-48.4174.6-174.159.646.800111.8E163 K164 T169 E170 D171E163-Q167 WeakPolarHBondContact O-CB 3.22Å; E163-Q167 PolarHBondContact O-N 3.3Å; K164-Q167 PolarHBondContact O-N 2.59Å; Q167-T169 PolarHBondContact O-N 2.88Å; Q167-E170 WeakPolarHBondContact O-CB 3.41Å; Q167-E170 PolarHBondContact O-N 3.11Å; Q167-E170 VanDerWaalsContact O-N 3.11Å; Q167-D171 PolarHBondContact NE2-OD1 3.05Å; Q167-D171 PolarHBondContact NE2-OD2 2.82Å; Q167-D171 PolarHBondContact O-N 3.03Å
168D97.4Very high96.7Very high68 Ų68101.5 Ų101.536%0.36446%0.456SS..Hα-helixtrans-60.4-34.8177.7-70.5-13.1000111K164 M165 K172K164-D168 IonicContact NZ-OD1 2.83Å; K164-D168 PolarHBondContact NZ-OD1 3.04Å; K164-D168 VanDerWaalsContact NZ-OD1 3.08Å; K164-D168 IonicContact NZ-OD2 3.82Å; K164-D168 PolarHBondContact NZ-OD2 3.26Å; K164-D168 WeakPolarHBondContact O-CB 3.47Å; K164-D168 PolarHBondContact O-N 2.96Å; M165-D168 WeakPolarHBondContact CE-OD2 3.24Å; D168-K172 VanDerWaalsContact O-CB 3.24Å; D168-K172 WeakPolarHBondContact O-CB 3.46Å; D168-K172 PolarHBondContact O-N 3.19Å
169T97.1Very high96.4Very high31 Ų3199.7 Ų99.719%0.1945%0.449CS..Hα-helixtrans-66.7-43.9175.1-59.80000111.7M165 L166 Q167 K172 R173 I482M165-T169 WeakPolarHBondContact O-CB 3.38Å; M165-T169 PolarHBondContact O-N 3.33Å; M165-T169 PolarHBondContact O-OG1 2.85Å; L166-T169 WeakPolarHBondContact O-CB 3.39Å; L166-T169 PolarHBondContact O-N 3.43Å; Q167-T169 PolarHBondContact O-N 2.88Å; T169-K172 PolarHBondContact O-N 3.43Å; T169-R173 PolarHBondContact O-N 3.03Å; T169-I482 HydrophobicContact CG2-CD1 4.42Å; T169-I482 HydrophobicContact CG2-CG2 4.36Å
170E96.6Very high96.1Very high65 Ų65102.8 Ų102.830%0.30446%0.459SS..Hα-helixtrans-64.2-46.5176.9-172.461.2-121.300111.6L166 Q167 K172 R173 K174L166-E170 PolarHBondContact O-N 3.02Å; Q167-E170 WeakPolarHBondContact O-CB 3.41Å; Q167-E170 PolarHBondContact O-N 3.11Å; Q167-E170 VanDerWaalsContact O-N 3.11Å; E170-K172 VanDerWaalsContact C-N 3.31Å; E170-K172 PolarHBondContact O-N 3.27Å; E170-R173 WeakPolarHBondContact O-CB 3.4Å; E170-R173 PolarHBondContact O-N 2.89Å; E170-R173 VanDerWaalsContact O-N 3.1Å; E170-R173 IonicContact OE1-NH1 3.84Å; E170-R173 PolarHBondContact OE1-NH1 3.46Å; E170-R173 IonicContact OE2-CZ 3.39Å; E170-R173 IonicContact OE2-NH1 2.67Å; E170-R173 PolarHBondContact OE2-NH1 3.4Å; E170-K174 HydrophobicContact CG-CD 4.24Å; E170-K174 WeakPolarHBondContact O-CG 3.41Å; E170-K174 PolarHBondContact O-N 3.2Å; E170-K174 WeakPolarHBondContact OE1-CE 3.5Å
171D97Very high95.7Very high74 Ų74104.8 Ų104.840%0.39647%0.466SS..Hα-helixtrans-63.5-39.5180-69.6-20.8000111.1Q167 R173 K174 E175Q167-D171 PolarHBondContact NE2-OD1 3.05Å; Q167-D171 PolarHBondContact NE2-OD2 2.82Å; Q167-D171 PolarHBondContact O-N 3.03Å; D171-R173 VanDerWaalsContact C-N 3.33Å; D171-R173 PolarHBondContact O-N 3.34Å; D171-K174 PolarHBondContact O-N 3.15Å; D171-E175 VanDerWaalsContact O-CB 3.31Å; D171-E175 WeakPolarHBondContact O-CB 3.42Å; D171-E175 PolarHBondContact O-N 3.5Å
172K96.9Very high95Very high155 Ų155105.2 Ų105.267%0.67447%0.473SS*.Hα-helixtrans-65.3-36.1174.4-166.6157.4-175.5168.70112.3D168 T169 E170 K176D168-K172 VanDerWaalsContact O-CB 3.24Å; D168-K172 WeakPolarHBondContact O-CB 3.46Å; D168-K172 PolarHBondContact O-N 3.19Å; T169-K172 PolarHBondContact O-N 3.43Å; E170-K172 VanDerWaalsContact C-N 3.31Å; E170-K172 PolarHBondContact O-N 3.27Å; K172-K176 WeakPolarHBondContact O-CB 3.47Å; K172-K176 PolarHBondContact O-N 3.01Å; K172-K176 VanDerWaalsContact O-N 3.16Å
173R95.6Very high94.3Very high76 Ų76107 Ų10729%0.28748%0.48SS..Hα-helixtrans-65.6-47.1173.7-168.7-169.5-64.2113.5-6.5111.1T169 E170 D171 K176 R177T169-R173 PolarHBondContact O-N 3.03Å; E170-R173 WeakPolarHBondContact O-CB 3.4Å; E170-R173 PolarHBondContact O-N 2.89Å; E170-R173 VanDerWaalsContact O-N 3.1Å; E170-R173 IonicContact OE1-NH1 3.84Å; E170-R173 PolarHBondContact OE1-NH1 3.46Å; E170-R173 IonicContact OE2-CZ 3.39Å; E170-R173 IonicContact OE2-NH1 2.67Å; E170-R173 PolarHBondContact OE2-NH1 3.4Å; D171-R173 VanDerWaalsContact C-N 3.33Å; D171-R173 PolarHBondContact O-N 3.34Å; R173-K176 PolarHBondContact O-N 3.1Å; R173-R177 PolarHBondContact O-N 3.13Å
174K96.8Very high93.2Very high115 Ų115109.2 Ų109.250%0.548%0.483SS..Hα-helixtrans-64.1-43.3179-72.5174.8-179.5169.10112.1E170 D171 K176 R177 R178E170-K174 HydrophobicContact CG-CD 4.24Å; E170-K174 WeakPolarHBondContact O-CG 3.41Å; E170-K174 PolarHBondContact O-N 3.2Å; E170-K174 WeakPolarHBondContact OE1-CE 3.5Å; D171-K174 PolarHBondContact O-N 3.15Å; K174-K176 VanDerWaalsContact C-N 3.33Å; K174-K176 PolarHBondContact O-N 3.42Å; K174-R177 WeakPolarHBondContact O-CB 3.25Å; K174-R177 PolarHBondContact O-N 3.08Å; K174-R177 VanDerWaalsContact O-N 3.15Å; K174-R178 PolarHBondContact O-N 3.5Å
175E95.3Very high92Very high64 Ų64107.9 Ų107.930%0.29948%0.481SS..Hα-helixtrans-62.7-39.7177.4-179.855.5-158.900111.8D171 R177 R178 Q179D171-E175 VanDerWaalsContact O-CB 3.31Å; D171-E175 WeakPolarHBondContact O-CB 3.42Å; D171-E175 PolarHBondContact O-N 3.5Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 2.98Å; E175-R178 VanDerWaalsContact CD-NH2 3.27Å; E175-R178 PolarHBondContact O-N 2.77Å; E175-R178 IonicContact OE1-CZ 3.39Å; E175-R178 IonicContact OE1-NE 3.64Å; E175-R178 IonicContact OE1-NH2 3.17Å; E175-R178 PolarHBondContact OE1-NH2 3Å; E175-R178 IonicContact OE2-CZ 2.94Å; E175-R178 IonicContact OE2-NE 2.78Å; E175-R178 PolarHBondContact OE2-NE 3.41Å; E175-R178 IonicContact OE2-NH2 3.8Å; E175-R178 PolarHBondContact OE2-NH2 3.14Å; E175-Q179 WeakPolarHBondContact O-CG 3.14Å; E175-Q179 PolarHBondContact O-N 3.38Å; E175-Q179 WeakPolarHBondContact OE1-CG 3.36Å; E175-Q179 PolarHBondContact OE1-NE2 3.35Å
176K95.2Very high90.4Very high163 Ų163109.1 Ų109.171%0.70949%0.488SS*.Hα-helixtrans-61.4-39.4174.3-171.5-178.9178.6-174.20112.1K172 R173 K174 K180K172-K176 WeakPolarHBondContact O-CB 3.47Å; K172-K176 PolarHBondContact O-N 3.01Å; K172-K176 VanDerWaalsContact O-N 3.16Å; R173-K176 PolarHBondContact O-N 3.1Å; K174-K176 VanDerWaalsContact C-N 3.33Å; K174-K176 PolarHBondContact O-N 3.42Å; K176-K180 PolarHBondContact O-N 3.16Å; K176-K180 VanDerWaalsContact O-N 3.13Å
177R93.2Very high88.5Confident166 Ų166106 Ų10663%0.62648%0.483SS*.Hα-helixtrans-64.8-47.4174.9-70.6-179.9176.7-179.1-1.8111R173 K174 E175 Q179 K180 E181R173-R177 PolarHBondContact O-N 3.13Å; K174-R177 WeakPolarHBondContact O-CB 3.25Å; K174-R177 PolarHBondContact O-N 3.08Å; K174-R177 VanDerWaalsContact O-N 3.15Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 2.98Å; R177-Q179 PolarHBondContact O-N 2.98Å; R177-K180 WeakPolarHBondContact O-CB 3.37Å; R177-K180 PolarHBondContact O-N 3.49Å; R177-K180 VanDerWaalsContact O-N 3.14Å; R177-E181 PolarHBondContact O-N 2.86Å
178R93.5Very high86.7Confident152 Ų152107 Ų10757%0.57450%0.496SS*.Hα-helixtrans-60.2-41.5177.4-167-178.468.9133.96.9112.6K174 E175 E181 Q182K174-R178 PolarHBondContact O-N 3.5Å; E175-R178 VanDerWaalsContact CD-NH2 3.27Å; E175-R178 PolarHBondContact O-N 2.77Å; E175-R178 IonicContact OE1-CZ 3.39Å; E175-R178 IonicContact OE1-NE 3.64Å; E175-R178 IonicContact OE1-NH2 3.17Å; E175-R178 PolarHBondContact OE1-NH2 3Å; E175-R178 IonicContact OE2-CZ 2.94Å; E175-R178 IonicContact OE2-NE 2.78Å; E175-R178 PolarHBondContact OE2-NE 3.41Å; E175-R178 IonicContact OE2-NH2 3.8Å; E175-R178 PolarHBondContact OE2-NH2 3.14Å; R178-E181 PolarHBondContact O-N 3.49Å; R178-Q182 WeakPolarHBondContact O-CB 3.45Å; R178-Q182 PolarHBondContact O-N 3.4Å
179Q90.8Very high84.5Confident84 Ų84109 Ų10939%0.39351%0.511SS..Hα-helixtrans-66.1-36.5175.4-72.2-177.725.900112.9E175 R177 K183E175-Q179 WeakPolarHBondContact O-CG 3.14Å; E175-Q179 PolarHBondContact O-N 3.38Å; E175-Q179 WeakPolarHBondContact OE1-CG 3.36Å; E175-Q179 PolarHBondContact OE1-NE2 3.35Å; R177-Q179 PolarHBondContact O-N 2.98Å; Q179-K183 WeakPolarHBondContact O-CB 3.47Å; Q179-K183 VanDerWaalsContact O-CG 3.25Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 2.91Å
180K91.3Very high82.5Confident136 Ų136116.1 Ų116.159%0.59153%0.534SS*.Hα-helixtrans-64.9-41.8174.8-174.8-179.7178.5-177.30110.8K176 R177 K183 R184K176-K180 PolarHBondContact O-N 3.16Å; K176-K180 VanDerWaalsContact O-N 3.13Å; R177-K180 WeakPolarHBondContact O-CB 3.37Å; R177-K180 PolarHBondContact O-N 3.49Å; R177-K180 VanDerWaalsContact O-N 3.14Å; K180-K183 PolarHBondContact O-N 3.25Å; K180-R184 PolarHBondContact O-N 2.87Å; K180-R184 VanDerWaalsContact O-N 3.08Å
181E88.4Confident80.3Confident123 Ų123121.2 Ų121.258%0.57556%0.558SS**Hα-helixtrans-67-46.9176.7-172.9173.5-169.300111.9R177 R178 K183 R184 I185R177-E181 PolarHBondContact O-N 2.86Å; R178-E181 PolarHBondContact O-N 3.49Å; E181-K183 VanDerWaalsContact C-N 3.26Å; E181-K183 PolarHBondContact O-N 2.59Å; E181-R184 WeakPolarHBondContact O-CA 3.47Å; E181-R184 WeakPolarHBondContact O-CB 3.37Å; E181-R184 PolarHBondContact O-N 2.7Å; E181-I185 HydrophobicContact CG-CD1 3.98Å; E181-I185 WeakPolarHBondContact O-CG1 3.44Å; E181-I185 PolarHBondContact O-N 2.69Å
182Q83.6Confident78.2Confident117 Ų117124.4 Ų124.455%0.54758%0.58SS.*Hα-helixtrans-59.4-37.6176-169.963.347.700112.1R178 I185 D186R178-Q182 WeakPolarHBondContact O-CB 3.45Å; R178-Q182 PolarHBondContact O-N 3.4Å; Q182-I185 PolarHBondContact O-N 3.15Å; Q182-D186 VanDerWaalsContact O-CB 3.31Å; Q182-D186 WeakPolarHBondContact O-CB 3.24Å; Q182-D186 PolarHBondContact O-N 2.98Å
183K82.8Confident76.2Confident156 Ų156125.8 Ų125.868%0.67859%0.586SS**Hα-helixtrans-68.7-32.5173.5-75.3175.6-177.3-179.90113.2Q179 K180 E181 G187Q179-K183 WeakPolarHBondContact O-CB 3.47Å; Q179-K183 VanDerWaalsContact O-CG 3.25Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 2.91Å; K180-K183 PolarHBondContact O-N 3.25Å; E181-K183 VanDerWaalsContact C-N 3.26Å; E181-K183 PolarHBondContact O-N 2.59Å; K183-G187 PolarHBondContact O-N 3.21Å
184R75Confident74.6Confident181 Ų181131 Ų13168%0.68361%0.611SS**Hα-helixtrans-67.7-45.9173.1-77.7-176.3173.3-127.1-0.7110.7K180 E181 G187 T188K180-R184 PolarHBondContact O-N 2.87Å; K180-R184 VanDerWaalsContact O-N 3.08Å; E181-R184 WeakPolarHBondContact O-CA 3.47Å; E181-R184 WeakPolarHBondContact O-CB 3.37Å; E181-R184 PolarHBondContact O-N 2.7Å; R184-G187 PolarHBondContact O-N 3.3Å; R184-T188 PolarHBondContact O-N 3.08Å; R184-T188 VanDerWaalsContact O-N 3.1Å; R184-T188 PolarHBondContact O-OG1 3.23Å
185I72.9Confident72.5Confident85 Ų85131.9 Ų131.944%0.43663%0.625SS.*Hα-helixtrans-65.3-47.1179.7-63.3167.5000111.1E181 Q182 G187 T188 T189E181-I185 HydrophobicContact CG-CD1 3.98Å; E181-I185 WeakPolarHBondContact O-CG1 3.44Å; E181-I185 PolarHBondContact O-N 2.69Å; Q182-I185 PolarHBondContact O-N 3.15Å; I185-G187 VanDerWaalsContact C-N 3.28Å; I185-G187 PolarHBondContact O-N 2.91Å; I185-T188 WeakPolarHBondContact CA-OG1 3.4Å; I185-T188 PolarHBondContact O-N 3.28Å; I185-T188 VanDerWaalsContact O-N 3.14Å; I185-T188 PolarHBondContact O-OG1 3.17Å; I185-T189 PolarHBondContact O-N 3.23Å; I185-T189 PolarHBondContact O-OG1 3.21Å
186D63.5Low70.8Confident68 Ų68139.8 Ų139.836%0.36465%0.653SS.*Hα-helixtrans-64.6-32.1174.8-17349.2000112.2Q182 T188 T189 R190Q182-D186 VanDerWaalsContact O-CB 3.31Å; Q182-D186 WeakPolarHBondContact O-CB 3.24Å; Q182-D186 PolarHBondContact O-N 2.98Å; D186-T188 VanDerWaalsContact C-N 3.31Å; D186-T188 PolarHBondContact O-N 3.21Å; D186-T189 PolarHBondContact O-N 3.28Å; D186-R190 PolarHBondContact O-N 3.42Å; D186-R190 IonicContact OD1-NE 3.95Å; D186-R190 IonicContact OD2-CZ 3.74Å; D186-R190 IonicContact OD2-NE 2.88Å; D186-R190 PolarHBondContact OD2-NE 3.2Å; D186-R190 VanDerWaalsContact OD2-NE 3.17Å; D186-R190 IonicContact OD2-NH2 3.49Å; D186-R190 PolarHBondContact OD2-NH2 2.76Å
187G58.5Low69.2Low48 Ų48141.4 Ų141.450%0.49566%0.659SS.*Hα-helixtrans-66.7-27.4173.300000114.1K183 R184 I185K183-G187 PolarHBondContact O-N 3.21Å; R184-G187 PolarHBondContact O-N 3.3Å; I185-G187 VanDerWaalsContact C-N 3.28Å; I185-G187 PolarHBondContact O-N 2.91Å
188T58.6Low67.5Low119 Ų119137.8 Ų137.873%0.7367%0.665SS**Hα-helixtrans-81.1-23.1173.918.90000113.9R184 I185 D186R184-T188 PolarHBondContact O-N 3.08Å; R184-T188 VanDerWaalsContact O-N 3.1Å; R184-T188 PolarHBondContact O-OG1 3.23Å; I185-T188 WeakPolarHBondContact CA-OG1 3.4Å; I185-T188 PolarHBondContact O-N 3.28Å; I185-T188 VanDerWaalsContact O-N 3.14Å; I185-T188 PolarHBondContact O-OG1 3.17Å; D186-T188 VanDerWaalsContact C-N 3.31Å; D186-T188 PolarHBondContact O-N 3.21Å
189T52.1Low66Low112 Ų112139.4 Ų139.469%0.68767%0.671SS**Hα-helixtrans-92.4-20.8-179.8-45.80000113.3I185 D186 E191I185-T189 PolarHBondContact O-N 3.23Å; I185-T189 PolarHBondContact O-OG1 3.21Å; D186-T189 PolarHBondContact O-N 3.28Å; T189-E191 PolarHBondContact O-N 3.27Å
190R54.3Low65Low179 Ų179141.1 Ų141.168%0.67568%0.683SS**SBendtrans-69.7103.7167-67.5179.8-163.9-147.94.4107.6D186D186-R190 PolarHBondContact O-N 3.42Å; D186-R190 IonicContact OD1-NE 3.95Å; D186-R190 IonicContact OD2-CZ 3.74Å; D186-R190 IonicContact OD2-NE 2.88Å; D186-R190 PolarHBondContact OD2-NE 3.2Å; D186-R190 VanDerWaalsContact OD2-NE 3.17Å; D186-R190 IonicContact OD2-NH2 3.49Å; D186-R190 PolarHBondContact OD2-NH2 2.76Å
191E50.7Low64Low172 Ų172141.5 Ų141.580%0.80468%0.681SS**  trans-5.8129.3165-75.8-177.9132.200113.2T189 K193T189-E191 PolarHBondContact O-N 3.27Å; E191-K193 WeakPolarHBondContact O-CA 3.35Å; E191-K193 PolarHBondContact O-N 2.99Å
192V53.8Low63.3Low141 Ų141144.6 Ų144.686%0.85569%0.687SS**  trans-24.687156.9-177.70000109.8K194V192-K194 PolarHBondContact O-N 3.33Å
193K55.3Low62.7Low184 Ų184146.7 Ų146.780%0.870%0.697SS**  trans-75.393.5-177.7-172.1171.4-173.3172.90101.7E191 V195E191-K193 WeakPolarHBondContact O-CA 3.35Å; E191-K193 PolarHBondContact O-N 2.99Å; K193-V195 PolarHBondContact O-N 2.86Å
194K60.6Low62.3Low187 Ų187141.9 Ų141.981%0.81368%0.677SS**  trans-35.1106.3-178.5-68.3-178.7-178.91770106.2V192 R196V192-K194 PolarHBondContact O-N 3.33Å; K194-R196 PolarHBondContact O-N 2.93Å
195V53Low62.3Low132 Ų132141.3 Ų141.380%0.868%0.675SS**  trans-49.9115.9178.7172.20000103.8K193 K197K193-V195 PolarHBondContact O-N 2.86Å; V195-K197 VanDerWaalsContact C-N 3.28Å; V195-K197 PolarHBondContact O-N 3.08Å
196R59.9Low62.4Low231 Ų231141.7 Ų141.787%0.87268%0.678SS**  trans-57.4108.2171.1-86.2-172.917195-1.9103.8K194 A198K194-R196 PolarHBondContact O-N 2.93Å; R196-A198 PolarHBondContact O-N 3.05Å
197K62.7Low62.9Low196 Ų196142.6 Ų142.685%0.85268%0.681SS**  trans-44.5117-179.7-163.5176.7-173.9176.10106V195 R199V195-K197 VanDerWaalsContact C-N 3.28Å; V195-K197 PolarHBondContact O-N 3.08Å; K197-R199 PolarHBondContact O-N 2.74Å
198A57.3Low63.4Low90 Ų90145.5 Ų145.574%0.74468%0.683SS**  trans-51.3115.9179.400000106.6R196 N200R196-A198 PolarHBondContact O-N 3.05Å; A198-N200 PolarHBondContact O-N 3.1Å
199R62.2Low64.2Low187 Ų187143.7 Ų143.771%0.70668%0.68SS**  trans-64.2107.2-176.6-176.2176.7178.2-162.1-7.3106.3K197 R201 E204K197-R199 PolarHBondContact O-N 2.74Å; R199-R201 PolarHBondContact O-N 3.43Å; R199-E204 IonicContact CZ-OE1 3.39Å; R199-E204 IonicContact NH2-OE1 3.83Å; R199-E204 PolarHBondContact NH2-OE1 3.44Å
200N68.3Low64.9Low119 Ų119144.5 Ų144.564%0.63667%0.672SS**  trans-68.996.1-178-170.3-29.2000108.4A198 R202A198-N200 PolarHBondContact O-N 3.1Å; N200-R202 PolarHBondContact O-N 3.09Å; N200-R202 WeakPolarHBondContact OD1-CB 3.41Å; N200-R202 PolarHBondContact OD1-N 2.81Å
201R69.9Low65.2Low145 Ų145142 Ų14255%0.54767%0.672SS.*THydrogen-bonded Turntrans-74.7-1.9-178.9-150.3-179.8-77.9-140.81.5112.3R199 Q203 E204 W205R199-R201 PolarHBondContact O-N 3.43Å; R201-Q203 PolarHBondContact O-N 2.82Å; R201-E204 HydrophobicContact CG-CB 3.91Å; R201-E204 WeakPolarHBondContact CG-OE2 2.87Å; R201-E204 WeakPolarHBondContact O-CB 3.46Å; R201-E204 PolarHBondContact O-N 3.3Å; R201-E204 VanDerWaalsContact O-N 3.11Å; R201-W205 PolarHBondContact O-N 3.22Å
202R73.9Confident65.6Low188 Ų188142.9 Ų142.971%0.70967%0.673SS**Hα-helixtrans-57.1-37180-175.6173.8-74.5-88.7-0.2111.8N200 W205 N206N200-R202 PolarHBondContact O-N 3.09Å; N200-R202 WeakPolarHBondContact OD1-CB 3.41Å; N200-R202 PolarHBondContact OD1-N 2.81Å; R202-W205 PolarHBondContact O-N 2.89Å; R202-N206 WeakPolarHBondContact O-CB 3.43Å; R202-N206 PolarHBondContact O-N 3.18Å
203Q71.1Confident65.9Low160 Ų160144.9 Ų144.975%0.74867%0.673SS**Hα-helixtrans-72-36.2179.7-149.717312.100112R201 M207R201-Q203 PolarHBondContact O-N 2.82Å; Q203-M207 WeakPolarHBondContact O-CB 3.42Å; Q203-M207 PolarHBondContact O-N 3.08Å
204E75Confident65.9Low56 Ų56142.5 Ų142.526%0.26267%0.668SS.*Hα-helixtrans-65.6-45.4171.6-90.9177.9-175.600111.6R199 R201 M207 M208R199-E204 IonicContact CZ-OE1 3.39Å; R199-E204 IonicContact NH2-OE1 3.83Å; R199-E204 PolarHBondContact NH2-OE1 3.44Å; R201-E204 HydrophobicContact CG-CB 3.91Å; R201-E204 WeakPolarHBondContact CG-OE2 2.87Å; R201-E204 WeakPolarHBondContact O-CB 3.46Å; R201-E204 PolarHBondContact O-N 3.3Å; R201-E204 VanDerWaalsContact O-N 3.11Å; E204-M207 PolarHBondContact O-N 2.88Å; E204-M208 HydrophobicContact CB-CE 4.44Å; E204-M208 WeakPolarHBondContact O-CB 3.47Å; E204-M208 VanDerWaalsContact O-CG 3.28Å; E204-M208 WeakPolarHBondContact O-CG 3.27Å; E204-M208 PolarHBondContact O-N 2.92Å
205W74.6Confident66.2Low168 Ų168138 Ų13864%0.63665%0.646SS**Hα-helixtrans-66.1-39.7176.9-74.9112.1000112.6R201 R202 M207 M208 A209R201-W205 PolarHBondContact O-N 3.22Å; R202-W205 PolarHBondContact O-N 2.89Å; W205-M207 VanDerWaalsContact C-N 3.34Å; W205-M208 CarbonylContact O-C 3.59Å; W205-M208 PolarHBondContact O-N 3.01Å; W205-A209 WeakPolarHBondContact O-CB 3.27Å; W205-A209 PolarHBondContact O-N 2.85Å
206N75.4Confident66.5Low94 Ų94136.7 Ų136.750%0.50364%0.64SS.*Hα-helixtrans-65.9-40.8175.9-161.6-15.9000110.3R202 M208 A209 Y210R202-N206 WeakPolarHBondContact O-CB 3.43Å; R202-N206 PolarHBondContact O-N 3.18Å; N206-M208 VanDerWaalsContact C-N 3.35Å; N206-M208 PolarHBondContact O-N 2.99Å; N206-A209 WeakPolarHBondContact O-CB 3.47Å; N206-A209 PolarHBondContact O-N 2.95Å; N206-Y210 WeakPolarHBondContact O-CD2 3.39Å; N206-Y210 PolarHBondContact O-N 3.42Å
207M74.6Confident65.9Low87 Ų87131.5 Ų131.543%0.42963%0.63SS.*Hα-helixtrans-64.1-39.5172.5-170.2146.759.200111.3Q203 E204 W205 A209 Y210 R215Q203-M207 WeakPolarHBondContact O-CB 3.42Å; Q203-M207 PolarHBondContact O-N 3.08Å; E204-M207 PolarHBondContact O-N 2.88Å; W205-M207 VanDerWaalsContact C-N 3.34Å; M207-A209 VanDerWaalsContact C-N 3.3Å; M207-A209 PolarHBondContact O-N 3.29Å; M207-Y210 PolarHBondContact O-N 2.81Å; M207-R215 HydrophobicContact CG-CG 4.07Å; M207-R215 PolarHBondContact O-NE 2.94Å; M207-R215 PolarHBondContact O-NH1 3Å; M207-R215 PolarHBondContact O-NH2 2.88Å; M207-R215 VanDerWaalsContact O-NH2 3.12Å
208M69.3Low65.4Low108 Ų108128.8 Ų128.853%0.53263%0.625SS.*Hα-helixtrans-69.7-22.2175.2-72.2-176.6-152.300114.4E204 W205 N206 Y210E204-M208 HydrophobicContact CB-CE 4.44Å; E204-M208 WeakPolarHBondContact O-CB 3.47Å; E204-M208 VanDerWaalsContact O-CG 3.28Å; E204-M208 WeakPolarHBondContact O-CG 3.27Å; E204-M208 PolarHBondContact O-N 2.92Å; W205-M208 CarbonylContact O-C 3.59Å; W205-M208 PolarHBondContact O-N 3.01Å; N206-M208 VanDerWaalsContact C-N 3.35Å; N206-M208 PolarHBondContact O-N 2.99Å; M208-Y210 VanDerWaalsContact C-N 3.31Å
209A73.8Confident64.8Low82 Ų82134.3 Ų134.368%0.67863%0.626SS**Hα-helixtrans-77.2-16.1174.900000113W205 N206 M207W205-A209 WeakPolarHBondContact O-CB 3.27Å; W205-A209 PolarHBondContact O-N 2.85Å; N206-A209 WeakPolarHBondContact O-CB 3.47Å; N206-A209 PolarHBondContact O-N 2.95Å; M207-A209 VanDerWaalsContact C-N 3.3Å; M207-A209 PolarHBondContact O-N 3.29Å
210Y68.3Low64.2Low129 Ų129133.3 Ų133.351%0.50663%0.634SS.*SBendtrans-75.5131.6168.2-77-86.2000110.2N206 M207 M208 L214N206-Y210 WeakPolarHBondContact O-CD2 3.39Å; N206-Y210 PolarHBondContact O-N 3.42Å; M207-Y210 PolarHBondContact O-N 2.81Å; M208-Y210 VanDerWaalsContact C-N 3.31Å; Y210-L214 HydrophobicContact CD1-CB 4.48Å
211D59.1Low63.1Low127 Ų127131.8 Ų131.868%0.67963%0.633SS**  trans-60.9150.3174.1-16013.1000110.5E213 L214D211-E213 PolarHBondContact O-N 2.82Å; D211-L214 PolarHBondContact O-N 2.83Å
212K59.8Low61.6Low190 Ų190134.4 Ų134.483%0.82665%0.651SS**THydrogen-bonded Turntrans-55.1-20.4-163.4-107.8175.1175.7179.50114.8
213E59.5Low59.5Low183 Ų183133 Ų13386%0.85566%0.658SS**THydrogen-bonded Turntrans-96.5-9.6-174.9-53.9-166.4175.400114.3D211D211-E213 PolarHBondContact O-N 2.82Å
214L56.5Low58Low134 Ų134130.9 Ų130.970%0.70266%0.655SS**SBendtrans-116.510.7-175.5-68.8172.8000114Y210 D211Y210-L214 HydrophobicContact CD1-CB 4.48Å; D211-L214 PolarHBondContact O-N 2.83Å
215R66.1Low55.9Low91 Ų91137.2 Ų137.234%0.34368%0.678SS.*SBendtrans-74.7135.3176-118.3-176.4169.7104.3-7.6110.5M207 D217M207-R215 HydrophobicContact CG-CG 4.07Å; M207-R215 PolarHBondContact O-NE 2.94Å; M207-R215 PolarHBondContact O-NH1 3Å; M207-R215 PolarHBondContact O-NH2 2.88Å; M207-R215 VanDerWaalsContact O-NH2 3.12Å; R215-D217 PolarHBondContact O-N 3.02Å; R215-D217 VanDerWaalsContact O-N 3.11Å
216P58.3Low54.1Low105 Ų105137.9 Ų137.968%0.68269%0.688SS**  trans-62.2116.3171.8-16.828.8000109.9N218P216-N218 PolarHBondContact O-N 2.84Å; P216-N218 VanDerWaalsContact O-N 3.17Å
217D48.1Very low51.9Low123 Ų123136.8 Ų136.866%0.65870%0.699SS**  trans-71.6106.8-178.4-137.5-5.6000108.9R215 R219R215-D217 PolarHBondContact O-N 3.02Å; R215-D217 VanDerWaalsContact O-N 3.11Å; D217-R219 HydrophobicContact CB-CG 4.44Å; D217-R219 PolarHBondContact O-N 3.48Å; D217-R219 IonicContact OD1-NE 3.1Å; D217-R219 IonicContact OD2-NE 3.94Å; D217-R219 PolarHBondContact OD2-NE 3.28Å
218N52.1Low49.9Very low138 Ų138137.1 Ų137.174%0.73872%0.716SS**  trans-8057.6178.9-159.580.3000110.5P216 L220P216-N218 PolarHBondContact O-N 2.84Å; P216-N218 VanDerWaalsContact O-N 3.17Å; N218-L220 VanDerWaalsContact C-N 3.31Å; N218-L220 PolarHBondContact O-N 2.92Å
219R45.9Very low48.1Very low206 Ų206137.4 Ų137.478%0.77773%0.728SS**  trans-86.715.7-178.9-78.8-167.9176-154.6-3.2114.6D217D217-R219 HydrophobicContact CB-CG 4.44Å; D217-R219 PolarHBondContact O-N 3.48Å; D217-R219 IonicContact OD1-NE 3.1Å; D217-R219 IonicContact OD2-NE 3.94Å; D217-R219 PolarHBondContact OD2-NE 3.28Å
220L48.9Very low46.1Very low167 Ų167138.5 Ų138.587%0.87473%0.731SS**SBendtrans-138.755.7-175.7-72.7164.5000113.2N218N218-L220 VanDerWaalsContact C-N 3.31Å; N218-L220 PolarHBondContact O-N 2.92Å
221S45.2Very low44.5Very low87 Ų87141.5 Ų141.561%0.60875%0.749SS**SBendtrans-173.255.815752.20000115
222Q37.4Very low43.1Very low200 Ų200138.9 Ų138.994%0.93575%0.753SS**  trans-177.794.2140.1-110.5172.6-16.800108.8
223N31.3Very low42Very low157 Ų157135 Ų13584%0.8475%0.75SS**  trans-13987.6162.1-155.82.4000107.4
224V37.9Very low40.6Very low116 Ų116134.5 Ų134.570%0.70375%0.752SS**  trans-148123.7147.5-160.10000107.1
225Y32.7Very low39.6Very low189 Ų189133.4 Ų133.474%0.74176%0.756SS**SBendtrans100.896.2169.3-61.7-72.4000118.5
226H35.7Very low39.1Very low183 Ų183133.8 Ų133.885%0.84777%0.77SS**  trans70.9123.7150.3-65.2-72.8000117.4
227G29.8Very low37.9Very low70 Ų70135.2 Ų135.272%0.72277%0.772SS**  cis143.3131.99.700000108.8
228A32.5Very low37.2Very low95 Ų95135.2 Ų135.279%0.78578%0.776SS**  trans83.1106.2168.100000118.7
229S30.3Very low36.4Very low114 Ų114139.8 Ų139.880%0.79778%0.783SS**  62.2110.6125.5-51.50000118.5
230S33.6Very low35.6Very low105 Ų105133.9 Ų133.973%0.73477%0.773SS**  91.6135.868-169.30000111.6
231E33.5Very low34.8Very low191 Ų191134.6 Ų134.689%0.89377%0.772SS**  trans74.5135.9172.2-43-165.1134.800113.9
232G30.5Very low34Very low73 Ų73134.3 Ų134.375%0.75378%0.775SS**  cis177.8158.28.700000106.4
233S36.7Very low34Very low109 Ų109130.3 Ų130.376%0.76277%0.769SS**  trans-42.3154.8174.8-51.70000114.9
234L29.2Very low34.2Very low171 Ų171129.6 Ų129.690%0.89577%0.765SS**  156.7124.6119.4-77.1176.2000110.6
235S35.5Very low33.9Very low112 Ų112129.6 Ų129.678%0.78377%0.765SS**  trans-64.5173.4149.9-136.10000109.1
236P56.6Low34.1Very low99 Ų99125.3 Ų125.364%0.64376%0.759SS**  cis-148.3-169.88.639.3-15.2000115.9
237D31.8Very low33.7Very low135 Ų135123 Ų12372%0.72275%0.753SS**  trans72.4123.7141.2-73.3-38.8000126.2
238T35Very low33.8Very low122 Ų122129.1 Ų129.175%0.74876%0.755SS**  trans57.2143.9132.471.10000124.7
239R33.7Very low33.7Very low234 Ų234130.4 Ų130.488%0.88376%0.758SS**  trans92.4127.1147.6-110.5-168.6177.1173.90.7120.1
240S30.3Very low33.7Very low82 Ų82135.5 Ų135.557%0.57376%0.762SS**  90.3119.2126.6-71.80000122.4
241H32.3Very low34.4Very low183 Ų183136 Ų13685%0.84776%0.763SS**  85.3132.1129.7-82.8-77.2000123.3
242A28.5Very low34.1Very low80 Ų80131.3 Ų131.366%0.66176%0.757SS**  trans74.8122.5147.500000117.2
243S36.6Very low34.5Very low116 Ų116134.4 Ų134.481%0.81176%0.761SS**  51.6123.567-51.30000110
244D35.4Very low34.6Very low142 Ų142135 Ų13576%0.75976%0.762SS**  cis-177.7159.544.3-145.2-16.9000104.7
245V32.4Very low34.6Very low117 Ų117134.1 Ų134.171%0.70976%0.758SS**  -179.5123.875.3112.40000110.7
246T36.5Very low34.5Very low98 Ų98136.7 Ų136.760%0.60176%0.758SS**  trans35139.9137600000122.6
247D27.8Very low33.2Very low136 Ų136137.2 Ų137.273%0.72776%0.764SS**  -160.5138.259.3-97-32.1000116.2
248Y31.2Very low33.1Very low198 Ų198137.9 Ų137.978%0.77677%0.766SS**  trans30.3123.4148.5-67.1-87.6000126.6
249S29.4Very low32.9Very low121 Ų121140 Ų14085%0.84677%0.767SS**  176.9131.297.1-74.20000114.3
250Y30.8Very low32.9Very low221 Ų221137 Ų13787%0.86776%0.764SS**  trans-83.1-175.3179.4-104.9-90.5000113.2
251P48.2Very low32.7Very low117 Ų117141.2 Ų141.276%0.7677%0.774SS**  cis-131.1154.7-15.733.7-16.1000115.8
252A28.7Very low32.6Very low92 Ų92140.1 Ų140.176%0.7677%0.773SS**  trans-127.4143153.800000109.7
253T37.4Very low32.5Very low137 Ų137141.8 Ų141.884%0.8478%0.78SS**  trans-57.6156.3-174.353.10000115.9
254P38.5Very low32.1Very low122 Ų122144.6 Ų144.679%0.79278%0.782SS**  trans-139.6149.6132.534.5-18.8000115.5
255N30.5Very low32.1Very low152 Ų152144 Ų14481%0.81379%0.786SS**  trans-60.4136.5160.3-90.1-48.5000111.1
256H32.3Very low31.9Very low167 Ų167143.3 Ų143.377%0.77379%0.786SS**  177.6124112.9-100.3-72.8000112.8
257S29.9Very low31.6Very low109 Ų109149.6 Ų149.676%0.76280%0.801SS**  trans39.493.1135.2-43.70000119.4
258L30.1Very low31.9Very low149 Ų149147 Ų14778%0.7881%0.806SS**PPolyproline II helixtrans-91.7116.5167.9-139.5109.9000111.5Q260L258-Q260 HydrophobicContact CD2-CG 3.6Å
259H30.8Very low31.8Very low166 Ų166144.8 Ų144.877%0.76981%0.813SS**PPolyproline II helixtrans-81.5119.2159.1-177.384.3000107.3
260Q32.3Very low31.8Very low173 Ų173141.9 Ų141.981%0.80880%0.803SS**PPolyproline II helixtrans-100.4118172.7-77.7-169.314.100110.2L258L258-Q260 HydrophobicContact CD2-CG 3.6Å
261Q27.1Very low31.9Very low169 Ų169139.6 Ų139.679%0.7981%0.805SS**  trans-125.5143.4155.4-133.9-172.4-21.100109.3
262I29.2Very low31.2Very low161 Ų161137.6 Ų137.683%0.82681%0.806SS**  trans-69137.6-163.1-69144.1000112.8
263S26.3Very low32.1Very low115 Ų115138.9 Ų138.980%0.80481%0.807SS**  trans-151136.5157.535.90000111.3
264M29.8Very low32.1Very low175 Ų175140.4 Ų140.486%0.86280%0.804SS**PPolyproline II helixtrans-78.9152.4-166.2-60.2-91.4-86.900112.9
265P35.3Very low31.7Very low128 Ų128144.9 Ų144.983%0.83181%0.807SS**PPolyproline II helixtrans-97154162.935-27.2000113.1
266S28Very low31.7Very low103 Ų103145.8 Ų145.872%0.7281%0.808SS**PPolyproline II helixtrans-91.6142-176.8161.60000112.5
267Y30Very low31.6Very low231 Ų231141 Ų14191%0.90680%0.804SS**  trans21.1126.4153.2-62.2-86000122
268G33.1Very low31.6Very low81 Ų81142.8 Ų142.884%0.83581%0.81SS**  trans-152.2123.4156.600000110.4
269T31Very low31.6Very low151 Ų151140 Ų14093%0.92680%0.803SS**  trans-84148.4-165.7-40.90000114
270G29.3Very low31.6Very low61 Ų61141 Ų14163%0.62981%0.808SS**  trans147.4104.6150.700000117.7
271D32.8Very low31.4Very low172 Ų172137.1 Ų137.192%0.9280%0.8SS**  trans53.7113.3151-53.5-29.4000119.6
272G33.2Very low31.6Very low76 Ų76137.7 Ų137.778%0.78480%0.802SS**  cis104.2149.843.200000110.3
273P47.4Very low31.8Very low118 Ų118138.2 Ų138.277%0.76680%0.801SS**  cis-130.1147-15.438.9-19.8000115.1
274Q36.8Very low32.1Very low170 Ų170140.9 Ų140.979%0.79480%0.801SS**  85.4127.2102.2-66-93.8-13.500118.5
275Y29.9Very low32Very low215 Ų215140.2 Ų140.284%0.84380%0.795SS**  -163.2129.4115.4-109.6-78.9000113.3
276M31.5Very low31.7Very low172 Ų172144.7 Ų144.785%0.84780%0.797SS**  trans64.2133.3162.4-59.7-137.5175.500119.7
277G30.5Very low31.8Very low66 Ų66150.5 Ų150.568%0.6880%0.803SS**  cis160.3138.4-1.600000110.5
278V29.5Very low33.2Very low147 Ų147144.2 Ų144.289%0.89179%0.791SS**  trans67.5132.7147.3177.40000116.6
279S28.8Very low33.6Very low90 Ų90146.3 Ų146.363%0.62979%0.79SS**  cis-175159.83.8-99.10000110.7
280Q31.5Very low33.7Very low186 Ų186144.2 Ų144.287%0.86978%0.781SS**  trans78.2112.7144.9-74.8173.443.400122.2
281S27.8Very low33.8Very low92 Ų92147.6 Ų147.664%0.64379%0.79SS**  trans-79.7157.2146.447.30000111.4
282H31.9Very low33.8Very low182 Ų182145 Ų14584%0.84378%0.781SS**  177.5143.6122.5-96.774.6000112.1
283E33.8Very low33.8Very low171 Ų171148.2 Ų148.280%0.79979%0.785SS**  trans-79.6158.2176.1-59.4-173.3105.900112.9
284H31.4Very low33.3Very low172 Ų172152.8 Ų152.880%0.79679%0.787SS**  175.8119.7124.8-92-61.3000112.7
285E28.4Very low33.2Very low160 Ų160153.7 Ų153.775%0.74879%0.79SS**  trans34.7130.3130.4-155.4165.4-167.600121.8
286Y29.3Very low33.4Very low222 Ų222147.4 Ų147.487%0.87178%0.783SS**  175.8142.7125.5-104.3-81.9000111.7
287R30.8Very low33.6Very low226 Ų226145.1 Ų145.185%0.85378%0.779SS**  trans-117178.7173.8-153.7-157.4179.9159.84109.6
288P58.4Low33.8Very low98 Ų98148.9 Ų148.964%0.63678%0.782SS**  -103.6-170.5-98.241.8-24.3000113.1
289P42.3Very low33.9Very low126 Ų126149 Ų14982%0.81878%0.778SS**  -155.1-178.687.937.7-14.8000117.4
290S32.3Very low34Very low107 Ų107155.9 Ų155.975%0.74879%0.79SS**  trans-54.5163.2-172.7-45.10000121.3
291T30.8Very low34.6Very low132 Ų132152.1 Ų152.181%0.8178%0.782SS**  158.1111.1129420000110.6
292T32.9Very low35.1Very low118 Ų118156.3 Ų156.372%0.72479%0.792SS**  64.4108.892.4-46.70000116.6
293V33.8Very low35.2Very low143 Ų143156.5 Ų156.587%0.86779%0.793SS**  trans-148.4133.8134174.30000109.6
294R36.8Very low35.8Very low214 Ų214153.5 Ų153.581%0.80879%0.788SS**  trans-101.3158.5-179.6-66.4172.9166.5172.8-4.3110.8
295H34.3Very low36.9Very low188 Ų188151.1 Ų151.187%0.8779%0.788SS**  trans-174.3110.1133.1-82.6-71.2000105.4
296A35.2Very low38.2Very low83 Ų83149.3 Ų149.369%0.68679%0.79SS**  53.7129.26200000113.4
297T35Very low39.4Very low125 Ų125144.3 Ų144.377%0.76779%0.785SS**  cis179146.5-1.429.60000106
298L35.4Very low40.5Very low144 Ų144139.3 Ų139.375%0.75478%0.782SS**  171.5126.6129.1-11671.9000114.6
299N30.7Very low40.2Very low150 Ų150140.7 Ų140.780%0.80279%0.791SS**  trans74.7125.3137.8-63.7-10.7000124.9
300R31.5Very low40.2Very low234 Ų234143.8 Ų143.888%0.88379%0.794SS**  trans-73.5176.4172.1168.4178.7-170.6-177.35.7113.2
301P43.7Very low41Very low107 Ų107145 Ų14570%0.69580%0.8SS**  cis-132.6167.5-1.820.16.2000118.9
302Q37.9Very low41.3Very low181 Ų181143.9 Ų143.985%0.84680%0.797SS**  trans13123.7143.6-65.9-91.3-17.300122.4
303Q34.7Very low41.4Very low186 Ų186145.6 Ų145.687%0.86980%0.802SS**  trans-168.7142135.8-145.2168.27.600112.8
304P47.1Very low41.2Very low108 Ų108144.2 Ų144.270%0.70180%0.798SS**PPolyproline II helixtrans-84.9165.3173.533.7-33.7000113.5
305P52.8Low41.3Very low121 Ų121141.6 Ų141.679%0.78680%0.795SS**PPolyproline II helixtrans-78.8159.5-169.532.4-35000114.3
306P57.4Low41.3Very low122 Ų122140.5 Ų140.579%0.79279%0.79SS**PPolyproline II helixtrans-86.6159.8-174.435-34.6000114.2
307P54.3Low41.1Very low118 Ų118141.7 Ų141.777%0.76679%0.793SS**PPolyproline II helixtrans-85.9162.1174.534.7-32.9000113.3
308P53.3Low40.9Very low121 Ų121141.4 Ų141.479%0.78680%0.796SS**PPolyproline II helixtrans-79.8156.9-177.332.1-34.1000113.8
309P51.5Low40.9Very low127 Ų127140.6 Ų140.683%0.82580%0.797SS**PPolyproline II helixtrans-84.6142.4-173.632.5-33.1000114.1
310Q43.4Very low41.6Very low191 Ų191139.1 Ų139.189%0.89380%0.796SS**PPolyproline II helixtrans-91.7146161.5-72.4-173.7-59.900110.5
311P48.7Very low41.7Very low133 Ų133133.6 Ų133.686%0.86479%0.788SS**PPolyproline II helixtrans-91.8139.2164.632.2-28.3000112.2
312S36.4Very low41.2Very low107 Ų107134.6 Ų134.675%0.74879%0.792SS**  trans-105.4137.4178.937.90000113.3
313D36.2Very low41.6Very low155 Ų155131.8 Ų131.883%0.82979%0.789SS**  trans48.8136.1139.6-64.9-34.4000125.8
314S29.8Very low41.8Very low114 Ų114127.3 Ų127.380%0.79778%0.784SS**  -166.2106123.827.80000111
315Q38.5Very low40.8Very low158 Ų158131.1 Ų131.174%0.73879%0.793SS**  78119.9103.7-74.5-170.29.700117.4
316H34.3Very low39.8Very low166 Ų166136.4 Ų136.477%0.76980%0.798SS**  179.2131.6105.1-89.3-67.9000113.7
317S30.2Very low38.4Very low107 Ų107133.8 Ų133.875%0.74879%0.794SS**  trans14.5149149.6-45.40000121.1
318S30.9Very low37.4Very low119 Ų119136.7 Ų136.783%0.83280%0.799SS**  cis-174.7154.328.511.10000110.8
319V36.3Very low36.7Very low128 Ų128138.4 Ų138.478%0.77680%0.801SS**  trans-89.8165.1171.6-146.70000110.6
320P44.8Very low36.3Very low119 Ų119138.5 Ų138.577%0.77380%0.802SS**  -146.2137.57632.5-9.8000116
321V34.5Very low36Very low118 Ų118133.8 Ų133.872%0.71580%0.795SS**  87.9103.397.41740000117
322V32.6Very low35.2Very low127 Ų127135.9 Ų135.977%0.7779%0.793SS**  trans39160.9130.7-1220000121.2
323P46.8Very low35Very low123 Ų123139.3 Ų139.380%0.79980%0.8SS**  cis-143.2176.814.340.1-16.4000120.2
324A38.6Very low35.1Very low92 Ų92137.9 Ų137.976%0.7680%0.796SS**  trans-82.4162.3-172.800000116
325E25.9Very low35.2Very low188 Ų188138.8 Ų138.888%0.87979%0.792SS**  trans-159.2125149.9-116.2172.2-17300114.3
326Y31.2Very low34.9Very low232 Ų232140.3 Ų140.391%0.9179%0.793SS**  trans22.7139.8145-91.9-101.6000124.2
327G29.1Very low34.9Very low67 Ų67141.7 Ų141.769%0.69179%0.792SS**  136.595.8129.900000120.1
328M31.6Very low35.4Very low178 Ų178143.6 Ų143.688%0.87779%0.794SS**  trans44131.7135.1-60.5-84.634.800124.6
329L40.4Very low36Very low157 Ų157142.9 Ų142.982%0.82279%0.786SS**  trans-71.6158.8166.6-60.9171.9000112.6
330P41.9Very low36.2Very low130 Ų130143.8 Ų143.884%0.84479%0.793SS**  -150.317493.436-15.4000116.5
331A37.4Very low36.2Very low92 Ų92141.4 Ų141.476%0.7679%0.79SS**  trans-61.8153.8-175.700000116.4
332Q32.6Very low37.4Very low177 Ų177141.5 Ų141.583%0.82779%0.793SS**  173.7152.4119-95.3-164.8-11.300114.1
333M31.9Very low38.6Very low179 Ų179141.1 Ų141.188%0.88279%0.793SS**  trans97.8129.3152.3-78.9178168.800121.4
334V37.4Very low39.6Very low124 Ų124141 Ų14175%0.75279%0.792SS**  trans-91.6140.8-174.4-173.70000108.2
335D31.5Very low41Very low133 Ų133142.2 Ų142.271%0.71179%0.793SS**  154.2130.4127-89.2-43.5000115.3
336Y33.5Very low42.6Very low191 Ų191139 Ų13975%0.74979%0.788SS**  trans82.6109.6145.6-86.1-113.5000124.2
337Y34.7Very low44.2Very low194 Ų194133.7 Ų133.776%0.76178%0.782SS**  trans87.1114.4130.9-95.4-104.9000125.1
338N39.6Very low46Very low148 Ų148136.2 Ų136.279%0.79179%0.786SS**  trans88.5142.9139.9-124.137.9000122.5
339P44.3Very low47Very low103 Ų103133.4 Ų133.467%0.66978%0.781SS**  trans-107.3154.9-150.941.4-33.3000113.8
340T39.2Very low47.2Very low147 Ų147134.8 Ų134.890%0.90279%0.785SS**  trans-115.7114.1161.629.80000107.9
341G44.9Very low47.5Very low70 Ų70136.3 Ų136.372%0.72279%0.785SS**PPolyproline II helixtrans-91.6157.6176.100000112.5
342P60.5Low47.6Very low120 Ų120137.3 Ų137.378%0.77978%0.784SS**PPolyproline II helixtrans-85.9154.7162.931.6-29.6000112.3
343P58.4Low47.7Very low118 Ų118134.7 Ų134.777%0.76679%0.785SS**PPolyproline II helixtrans-74.3159.9-17631-35.6000113.8
344P66.8Low48Very low120 Ų120130.5 Ų130.578%0.77978%0.779SS**PPolyproline II helixtrans-73.5152.217829.9-34.6000113.5
345P67.8Low48Very low119 Ų119133.7 Ų133.777%0.77379%0.786SS**PPolyproline II helixtrans-76.9156.1178.530.7-34.5000114
346P60.5Low48.2Very low121 Ų121134.1 Ų134.179%0.78679%0.793SS**PPolyproline II helixtrans-76.2159.2-178.330.8-35.4000114.4
347P64.9Low48.1Very low119 Ų119128.6 Ų128.677%0.77379%0.787SS**PPolyproline II helixtrans-72.3153.2179.629.5-34.6000113.6
348P66.5Low48.1Very low120 Ų120129.9 Ų129.978%0.77980%0.797SS**PPolyproline II helixtrans-73.3151.7-179.429.2-34000113.4
349P52.6Low47.7Very low120 Ų120129.2 Ų129.278%0.77980%0.798SS**PPolyproline II helixtrans-75.4142.1-174.629.5-33.6000113.4
350M45.1Very low47Very low185 Ų185129.9 Ų129.991%0.91181%0.805SS**PPolyproline II helixtrans-74.5131.9172.6-63.1-175.47000110.8P352M350-P352 WeakPolarHBondContact O-CD 3.31Å
351I47.5Very low47.4Very low162 Ų162128.4 Ų128.483%0.83180%0.798SS**PPolyproline II helixtrans-94.8119.5172.9-55.5173.5000108.6
352P39.7Very low46.8Very low113 Ų113133.6 Ų133.673%0.73481%0.808SS**PPolyproline II helixtrans-97121.817030.9-22.8000110.3M350M350-P352 WeakPolarHBondContact O-CD 3.31Å
353S34.5Very low45.6Very low122 Ų122136.7 Ų136.785%0.85381%0.812SS**  trans-167.889.7158.5-81.80000112.2
354A38.3Very low44.3Very low92 Ų92138 Ų13876%0.7682%0.818SS**  trans-104.6108.2142.700000105.8
355Q38Very low43Very low191 Ų191137.4 Ų137.489%0.89381%0.814SS**  trans172.8100.7159.2-99163.376.800111.9
356T35.4Very low41.3Very low142 Ų142139.3 Ų139.387%0.87182%0.817SS**  trans-163.6104.6150.9-23.80000104.4
357A30.3Very low40.4Very low75 Ų75139.4 Ų139.462%0.6282%0.817SS**  111.1107.775.100000109.4
358F35Very low38.9Very low221 Ų221137.7 Ų137.797%0.96981%0.814SS**  trans-138.4114.5146.8-86.4-77000107.9
359V31.1Very low37.4Very low133 Ų133136.6 Ų136.681%0.80681%0.809SS**  trans-113.4123.9168.91660000106.2
360S30.8Very low36.5Very low117 Ų117139 Ų13982%0.81881%0.809SS**  -167148.8125.9-85.30000112.4
361P47.3Very low36Very low116 Ų116135.9 Ų135.975%0.75381%0.806SS**  trans-106.4160.3-162.139-28.9000113.4
362L32.2Very low35.2Very low180 Ų180131.7 Ų131.794%0.94280%0.803SS**  trans-131.7122.9155.7-90.2164.8000109.5
363Q34.8Very low35Very low185 Ų185134 Ų13486%0.86481%0.808SS**  trans-64.2153.1173.9-92.5157.1-7300112.7
364V32.3Very low35.1Very low144 Ų144134.2 Ų134.287%0.87380%0.804SS**  171.5148.8127.3156.20000109
365P38.4Very low35Very low109 Ų109135.9 Ų135.971%0.70881%0.805SS**  trans-111.2163-134.240.1-33.3000117.9
366L31.5Very low34.7Very low159 Ų159130 Ų13083%0.83280%0.796SS**  trans18.8158.5149.8-107.381.8000121.7
367P43.3Very low35.3Very low122 Ų122129.4 Ų129.479%0.79279%0.794SS**  cis-138.2167.338.632.2-8.4000118.6
368A33.5Very low35.5Very low84 Ų84131.5 Ų131.569%0.69480%0.799SS**  trans-87.9153.5176.100000112.9
369S33.3Very low35.6Very low97 Ų97132.3 Ų132.368%0.67880%0.797SS**  trans-130.5105.9167.6-70.40000112
370H35.1Very low35.7Very low169 Ų169130.5 Ų130.578%0.78280%0.796SS**  trans19142.114338.9-90.3000123.5
371S34.4Very low35.9Very low121 Ų121128.9 Ų128.985%0.84679%0.79SS**  trans-71159.1169.6-159.60000113.9
372G29.9Very low35.2Very low74 Ų74130.1 Ų130.176%0.76380%0.796SS**  trans178.6112.4165.700000114.9
373L35.9Very low35.3Very low162 Ų162129.8 Ų129.885%0.84879%0.789SS**  trans-55.1158.9165.3-89.477.6000112.9
374V36.5Very low35.2Very low126 Ų126128.4 Ų128.476%0.76479%0.787SS**  179120.5124.1147.40000112.9
375T35.4Very low36Very low127 Ų127126.7 Ų126.778%0.77978%0.778SS**  trans47.6132.1143.768.80000124.1
376G33.6Very low36.4Very low68 Ų68127.5 Ų127.570%0.70178%0.783SS**  trans-71.2-172.3161.400000114.5
377P47.6Very low36.6Very low128 Ų128126 Ų12683%0.83179%0.786SS**  -144.9168.475.336.2-16.7000117.4
378T34.5Very low36.4Very low120 Ų120125.7 Ų125.774%0.73679%0.787SS**  trans-46.8144.8169.540.50000118.1
379Y36.4Very low36.6Very low238 Ų238125.1 Ų125.193%0.93379%0.789SS**  trans-145.4123.2131-89.3-79.7000111.1
380A33.6Very low36.8Very low94 Ų94128.4 Ų128.478%0.77780%0.798SS**  trans-76.1170.3162.100000109.3
381A33.9Very low37.1Very low83 Ų83126.8 Ų126.869%0.68680%0.8SS**  cis-177.2150.9-10.300000105.4
382T33.6Very low37.4Very low143 Ų143127.6 Ų127.688%0.87780%0.8SS**  trans-158.7109.4151.143.30000112.4
383H34.6Very low38Very low173 Ų173129.7 Ų129.780%0.80180%0.798SS**  trans-10.1144.4140.1-83-96.4000118.2
384L32.9Very low38.5Very low156 Ų156126.2 Ų126.282%0.81779%0.792SS**  176.8-17657.1-97.1134.8000107.7
385P47.3Very low39.4Very low107 Ų107125.8 Ų125.870%0.69579%0.792SS**  cis-128.6179-32.535.9-17.9000113
386P46.7Very low40.7Very low126 Ų126125.4 Ų125.482%0.81879%0.792SS**  trans-91.3144.7167.535.3-28.1000111.3
387S37.5Very low42.2Very low127 Ų127127.7 Ų127.789%0.88880%0.795SS**  trans-144.7144.5168.6-151.30000112.7
388S38.3Very low43Very low116 Ų116127.8 Ų127.881%0.81180%0.795SS**  trans-69.4151.8-168.3-55.80000115.3
389G37.3Very low44.4Very low72 Ų72125.2 Ų125.274%0.74279%0.792SS**  trans50.2102.9138.300000119.3
390L38.4Very low45.9Very low166 Ų166119.7 Ų119.787%0.86979%0.786SS**  trans-137.3125.2146-76.5178000110.4V392L390-V392 PolarHBondContact O-N 2.9Å
391V41.3Very low47.5Very low135 Ų135120.8 Ų120.882%0.81879%0.785SS**  trans-58.9115.9169.8175.80000108.4T393V391-T393 HydrophobicContact CG1-CG2 4.31Å
392V41Very low49.1Very low138 Ų138122.4 Ų122.484%0.83679%0.788SS**  trans-102105166.7177.40000107.5L390L390-V392 PolarHBondContact O-N 2.9Å
393T42.8Very low50.7Low119 Ų119121.3 Ų121.373%0.7378%0.783SS**PPolyproline II helixtrans-65.1126.1170.947.40000109.9V391V391-T393 HydrophobicContact CG1-CG2 4.31Å
394A45.9Very low52.2Low88 Ų88118.5 Ų118.573%0.72778%0.781SS**PPolyproline II helixtrans-61.6147.5172.400000111.6
395P55.2Low53.6Low118 Ų118117.3 Ų117.377%0.76678%0.782SS**PPolyproline II helixtrans-68146.1173.628.6-32.3000110.7
396P61.6Low54Low118 Ų118115.3 Ų115.377%0.76678%0.781SS**PPolyproline II helixtrans-67.9150.7-179.728.3-33.7000111.6
397P65.6Low54.5Low117 Ų117115.2 Ų115.276%0.7678%0.781SS**PPolyproline II helixtrans-66.7149.6178.828-34000111.7
398P65Low55Low130 Ų130115.5 Ų115.584%0.84478%0.779SS**PPolyproline II helixtrans-63.5137173.324.8-30.7000110.9
399G63Low55Low65 Ų65114.7 Ų114.767%0.6778%0.78SS**PPolyproline II helixtrans-67.2162.6179.100000113.5
400P68.1Low55Low123 Ų123116.3 Ų116.380%0.79979%0.786SS**PPolyproline II helixtrans-66.2148.7-179.327.2-33.5000112
401P68.6Low54.9Low116 Ų116112.2 Ų112.275%0.75378%0.784SS**PPolyproline II helixtrans-66.3153.1176.927.7-34000112
402P67.6Low54.6Low118 Ų118111.2 Ų111.277%0.76678%0.783SS**PPolyproline II helixtrans-65.6150.2178.927.1-33.9000112.1
403P67.1Low54.3Low119 Ų119109.6 Ų109.677%0.77378%0.777SS**PPolyproline II helixtrans-68.2150.1179.128.2-34000112.1
404P65.3Low53.9Low115 Ų115111.8 Ų111.875%0.74778%0.784SS**PPolyproline II helixtrans-67.7151.2177.727.2-33.4000112.1G406P404-G406 PolarHBondContact O-N 3.34Å
405P61.4Low53.1Low131 Ų131113 Ų11385%0.85179%0.787SS**PPolyproline II helixtrans-61.6132.2174.8-17.329.6000111.3
406G56.7Low51.9Low65 Ų65112.7 Ų112.767%0.6779%0.788SS**PPolyproline II helixtrans-67.9156.3176.100000113P404P404-G406 PolarHBondContact O-N 3.34Å
407P57Low50.7Low124 Ų124112.4 Ų112.481%0.80579%0.789SS**PPolyproline II helixtrans-69.5148.7177.729-33.2000111.4
408P48.1Very low50Low132 Ų132111.8 Ų111.886%0.85779%0.785SS**PPolyproline II helixtrans-68.4135.9179.726.8-31.5000111.4
409A37.7Very low48.5Very low100 Ų100112.8 Ų112.883%0.82678%0.78SS**PPolyproline II helixtrans-67.2137.2177.500000111.8G411A409-G411 PolarHBondContact O-N 3.35Å
410A38.4Very low47.1Very low106 Ų106118 Ų11888%0.87679%0.786SS**PPolyproline II helixtrans-68.1121.7167.100000110
411G36.3Very low45.1Very low79 Ų79116.2 Ų116.281%0.81478%0.782SS**  trans-111.6115.5166.500000109.7A409A409-G411 PolarHBondContact O-N 3.35Å
412S35.3Very low44.3Very low114 Ų114116 Ų11680%0.79778%0.781SS**  trans-74.7144170.1-560000111
413S33Very low42.4Very low104 Ų104118 Ų11873%0.72778%0.784SS**  136.9115.3125.4-59.80000116.6
414L34.2Very low40.6Very low166 Ų166116.3 Ų116.387%0.86978%0.78SS**  trans87.5121.5133.1-60.6172.2000123
415S30.2Very low39.1Very low113 Ų113115.4 Ų115.479%0.7978%0.782SS**  trans88.5108.9132.2-161.40000120
416S30.6Very low37.7Very low112 Ų112117.3 Ų117.378%0.78378%0.78SS**  162.3125.6101.560.20000112.2
417S35.6Very low36.4Very low112 Ų112118.9 Ų118.978%0.78379%0.786SS**  trans-76.5-167.6164.9-46.30000111.1
418P51.7Low35.3Very low104 Ų104121.5 Ų121.568%0.67579%0.785SS**  cis-133.7-177.9-16.221.93.6000112.4
419M33.3Very low34.5Very low150 Ų150124.4 Ų124.474%0.73978%0.779SS**  170.7125.5127.7-88.1-68.910100114.3
420H32.8Very low34.2Very low174 Ų174127.3 Ų127.381%0.80678%0.775SS**  trans56.4126.3138.3-96.3-98.8000124.1
421A27.4Very low33.9Very low86 Ų86130.3 Ų130.371%0.71177%0.771SS**  trans-71.8-160.6167.300000112.8
422P50.4Low34Very low112 Ų112132.6 Ų132.673%0.72777%0.772SS**  cis-139.8-170.9-11.833.7-10.6000114.3
423L28.4Very low34.1Very low159 Ų159131.6 Ų131.683%0.83277%0.77SS**  trans156.1106.6133.5-79.7168.4000110.4
424A28.6Very low34.3Very low84 Ų84135.2 Ų135.269%0.69478%0.775SS**  8110687.800000112.9
425A34.1Very low34.5Very low96 Ų96132 Ų13279%0.79377%0.765SS**  76.1133.890.400000112.4
426E31.4Very low35.1Very low172 Ų172132.9 Ų132.980%0.80477%0.768SS**  -163.6157.456.7-74.9-170.8106.300112.7
427A30Very low35.9Very low97 Ų97135.1 Ų135.180%0.80277%0.769SS**  -175.7110.6117.100000113.1
428K33Very low36.8Very low180 Ų180134.4 Ų134.478%0.78376%0.764SS**  trans12.8148.1136.1-88.5171.5179.4168.10119.6
429R32Very low37.6Very low192 Ų192134.2 Ų134.273%0.72576%0.757SS**  cis-176.8163.96.8-157.3-179.9-163.3-106.116.2109.1
430H31.2Very low39.4Very low162 Ų162130.8 Ų130.875%0.7575%0.753SS**  trans98135.8152.7-76.3111.9000123.1
431E32Very low40.9Very low169 Ų169130.9 Ų130.979%0.7975%0.746SS**  trans-114.1150.4-170.9160.5178.2169.300109.3
432P39.2Very low43Very low127 Ų127129.9 Ų129.983%0.82573%0.734SS**  -148.7165.78734-9.9000118.2
433A36.7Very low43.9Very low92 Ų92129.7 Ų129.776%0.7673%0.727SS**  trans-67.4145.4-166.600000117.7
434Q37.6Very low46.1Very low180 Ų180127.1 Ų127.184%0.84171%0.714SS**  trans-137.4153164.7-83.9-100.7-2700108.7
435P38.1Very low48.2Very low100 Ų100126.7 Ų126.765%0.64970%0.699SS**  trans-66.3161-168.428.1-35000113.8I437P435-I437 PolarHBondContact O-N 2.74Å
436P44Very low50Low131 Ų131124 Ų12485%0.85168%0.677SS**  trans-73.6103.3-159.330.1-33.8000111.8S438P436-S438 PolarHBondContact O-N 2.94Å
437I45.8Very low51.8Low158 Ų158118.6 Ų118.681%0.8166%0.661SS**  trans-64.8120.215138169.5000107.3P435 D439P435-I437 PolarHBondContact O-N 2.74Å; I437-D439 VanDerWaalsContact C-N 3.32Å; I437-D439 PolarHBondContact O-N 3.14Å
438S56.3Low53.6Low98 Ų98119.2 Ų119.269%0.68565%0.65SS**  trans-62.996.9172.558.70000108.6P436P436-S438 PolarHBondContact O-N 2.94Å
439D68.4Low55.3Low99 Ų99120 Ų12053%0.52965%0.648SS.*  trans-62133.4180-172.7-4.2000109.2I437 R441 S442 D443I437-D439 VanDerWaalsContact C-N 3.32Å; I437-D439 PolarHBondContact O-N 3.14Å; D439-R441 PolarHBondContact O-N 3.46Å; D439-R441 PolarHBondContact OD1-N 3.1Å; D439-S442 WeakPolarHBondContact O-CA 3.46Å; D439-S442 VanDerWaalsContact O-CB 3.23Å; D439-S442 WeakPolarHBondContact O-CB 3.37Å; D439-S442 PolarHBondContact O-N 3.33Å; D439-D443 PolarHBondContact O-N 3.4Å
440A70.1Confident56.8Low78 Ų78118.4 Ų118.465%0.64565%0.651SS**Hα-helixtrans-53.5-25.1178.200000112.1L444A440-L444 WeakPolarHBondContact O-CB 3.37Å; A440-L444 PolarHBondContact O-N 3.13Å
441R64.6Low57.6Low177 Ų177112.7 Ų112.767%0.66864%0.636SS**Hα-helixtrans-68-37.2171.7-168.2177.8-178.6-179.30.8113.3D439 L444 L445D439-R441 PolarHBondContact O-N 3.46Å; D439-R441 PolarHBondContact OD1-N 3.1Å; R441-L444 PolarHBondContact O-N 2.78Å; R441-L445 HydrophobicContact CG-CD1 4.29Å; R441-L445 WeakPolarHBondContact O-CB 3.43Å; R441-L445 VanDerWaalsContact O-CG 3.26Å; R441-L445 WeakPolarHBondContact O-CG 3.3Å; R441-L445 PolarHBondContact O-N 3.17Å
442S72.1Confident58.6Low65 Ų65112.3 Ų112.346%0.45564%0.638SS.*Hα-helixtrans-66.1-41.5174.1-1770000111.2D439 L445 A446D439-S442 WeakPolarHBondContact O-CA 3.46Å; D439-S442 VanDerWaalsContact O-CB 3.23Å; D439-S442 WeakPolarHBondContact O-CB 3.37Å; D439-S442 PolarHBondContact O-N 3.33Å; S442-L445 PolarHBondContact O-N 3.21Å; S442-A446 VanDerWaalsContact O-CB 3.31Å; S442-A446 WeakPolarHBondContact O-CB 3.37Å; S442-A446 PolarHBondContact O-N 3.41Å
443D69.2Low59.3Low107 Ų107114.9 Ų114.957%0.57264%0.639SS**Hα-helixtrans-64.6-41.8174.6-101.45.3000111.9D439 A446 A447D439-D443 PolarHBondContact O-N 3.4Å; D443-A446 PolarHBondContact O-N 3.28Å; D443-A447 WeakPolarHBondContact O-CB 3.38Å; D443-A447 PolarHBondContact O-N 3.24Å
444L74.7Confident59.8Low106 Ų106118.3 Ų118.356%0.55564%0.644SS**Hα-helixtrans-62.2-44.7174-179.963.3000111.5A440 R441 A446 A447 I448A440-L444 WeakPolarHBondContact O-CB 3.37Å; A440-L444 PolarHBondContact O-N 3.13Å; R441-L444 PolarHBondContact O-N 2.78Å; L444-A446 VanDerWaalsContact C-N 3.32Å; L444-A446 PolarHBondContact O-N 3.46Å; L444-A447 PolarHBondContact O-N 3.21Å; L444-I448 HydrophobicContact CD1-CD1 4.19Å; L444-I448 HydrophobicContact CD1-CG1 4.46Å; L444-I448 HydrophobicContact CG-CD1 3.92Å; L444-I448 WeakPolarHBondContact O-CB 3.39Å; L444-I448 WeakPolarHBondContact O-CD1 3.45Å; L444-I448 WeakPolarHBondContact O-CG1 3.23Å; L444-I448 PolarHBondContact O-N 3.35Å
445L72.4Confident60.7Low74 Ų74118.6 Ų118.639%0.38764%0.642SS.*Hα-helixtrans-70.2-29.1177.8-71170.5000112.4R441 S442 I448 R449R441-L445 HydrophobicContact CG-CD1 4.29Å; R441-L445 WeakPolarHBondContact O-CB 3.43Å; R441-L445 VanDerWaalsContact O-CG 3.26Å; R441-L445 WeakPolarHBondContact O-CG 3.3Å; R441-L445 PolarHBondContact O-N 3.17Å; S442-L445 PolarHBondContact O-N 3.21Å; L445-I448 HydrophobicContact CD2-CD1 4.41Å; L445-R449 WeakPolarHBondContact O-CB 3.25Å; L445-R449 VanDerWaalsContact O-CG 3.31Å; L445-R449 WeakPolarHBondContact O-CG 3.31Å; L445-R449 PolarHBondContact O-N 2.99Å; L445-R449 PolarHBondContact O-NE 3.39Å
446A71.9Confident61.6Low39 Ų39123.1 Ų123.132%0.32265%0.651SS.*Hα-helixtrans-68.6-44.9169.800000110.7S442 D443 L444 I448 R449 M450S442-A446 VanDerWaalsContact O-CB 3.31Å; S442-A446 WeakPolarHBondContact O-CB 3.37Å; S442-A446 PolarHBondContact O-N 3.41Å; D443-A446 PolarHBondContact O-N 3.28Å; L444-A446 VanDerWaalsContact C-N 3.32Å; L444-A446 PolarHBondContact O-N 3.46Å; A446-I448 VanDerWaalsContact C-N 3.34Å; A446-I448 PolarHBondContact O-N 3.46Å; A446-R449 CarbonylContact O-C 3.53Å; A446-R449 PolarHBondContact O-N 2.92Å; A446-R449 VanDerWaalsContact O-N 3.16Å; A446-M450 WeakPolarHBondContact O-CB 3.44Å; A446-M450 WeakPolarHBondContact O-CG 3.46Å; A446-M450 PolarHBondContact O-N 3.46Å
447A69.4Low61.9Low59 Ų59122.9 Ų122.949%0.48865%0.647SS.*Hα-helixtrans-62.5-38.3175.600000112.5D443 L444 M450 G451D443-A447 WeakPolarHBondContact O-CB 3.38Å; D443-A447 PolarHBondContact O-N 3.24Å; L444-A447 PolarHBondContact O-N 3.21Å; A447-M450 PolarHBondContact O-N 3.4Å; A447-G451 PolarHBondContact O-N 3.27Å
448I66.6Low62.1Low111 Ų111122.8 Ų122.857%0.56964%0.643SS**Hα-helixtrans-66.7-42.2173.6-68.7164.4000110.6L444 L445 A446 M450 G451L444-I448 HydrophobicContact CD1-CD1 4.19Å; L444-I448 HydrophobicContact CD1-CG1 4.46Å; L444-I448 HydrophobicContact CG-CD1 3.92Å; L444-I448 WeakPolarHBondContact O-CB 3.39Å; L444-I448 WeakPolarHBondContact O-CD1 3.45Å; L444-I448 WeakPolarHBondContact O-CG1 3.23Å; L444-I448 PolarHBondContact O-N 3.35Å; L445-I448 HydrophobicContact CD2-CD1 4.41Å; A446-I448 VanDerWaalsContact C-N 3.34Å; A446-I448 PolarHBondContact O-N 3.46Å; I448-M450 VanDerWaalsContact C-N 3.32Å; I448-M450 PolarHBondContact O-N 3.02Å; I448-G451 PolarHBondContact O-N 3.4Å
449R69.8Low62Low195 Ų195124 Ų12474%0.73664%0.638SS**Hα-helixtrans-66.1-32.2175.3-81.5-176.9-96.2-126.24.9113.1L445 A446 G451L445-R449 WeakPolarHBondContact O-CB 3.25Å; L445-R449 VanDerWaalsContact O-CG 3.31Å; L445-R449 WeakPolarHBondContact O-CG 3.31Å; L445-R449 PolarHBondContact O-N 2.99Å; L445-R449 PolarHBondContact O-NE 3.39Å; A446-R449 CarbonylContact O-C 3.53Å; A446-R449 PolarHBondContact O-N 2.92Å; A446-R449 VanDerWaalsContact O-N 3.16Å; R449-G451 VanDerWaalsContact C-N 3.29Å
450M63.8Low61Low159 Ų159126.7 Ų126.778%0.78365%0.648SS**Hα-helixtrans-76-15.3178.1-68-128.871.100113.2A446 A447 I448A446-M450 WeakPolarHBondContact O-CB 3.44Å; A446-M450 WeakPolarHBondContact O-CG 3.46Å; A446-M450 PolarHBondContact O-N 3.46Å; A447-M450 PolarHBondContact O-N 3.4Å; I448-M450 VanDerWaalsContact C-N 3.32Å; I448-M450 PolarHBondContact O-N 3.02Å
451G46.8Very low60.4Low42 Ų42132.7 Ų132.743%0.43365%0.654SS.*  trans71.9146.7179.600000112.9A447 I448 R449 Q453A447-G451 PolarHBondContact O-N 3.27Å; I448-G451 PolarHBondContact O-N 3.4Å; R449-G451 VanDerWaalsContact C-N 3.29Å; G451-Q453 PolarHBondContact O-N 3.44Å
452I54Low60.1Low161 Ų161129.5 Ų129.583%0.82665%0.646SS**  trans-67.698.9-173.2-58168.7000110.1L454I452-L454 HydrophobicContact CG2-CD2 4Å; I452-L454 HydrophobicContact CG2-CG 4.14Å
453Q53.8Low59Low181 Ų181132.7 Ų132.785%0.84665%0.654SS**  trans-85107.5157.3-73.4-170.114.100108.4G451 K455G451-Q453 PolarHBondContact O-N 3.44Å; Q453-K455 PolarHBondContact O-N 3.45Å
454L46.8Very low58.4Low165 Ų165134.6 Ų134.686%0.86466%0.659SS**  trans-63.592.8175.9-69.5166.5000110.4I452I452-L454 HydrophobicContact CG2-CD2 4Å; I452-L454 HydrophobicContact CG2-CG 4.14Å
455K56.8Low57.5Low186 Ų186133.1 Ų133.181%0.80966%0.663SS**  trans-78133.3163.4-105.8-177.1174.5-179.50109.5Q453 V457Q453-K455 PolarHBondContact O-N 3.45Å; K455-V457 PolarHBondContact O-N 2.88Å
456K55.8Low56.6Low194 Ų194137.7 Ų137.784%0.84368%0.68SS**  trans-56.9125.5-178.9-82.6175.3174.51720111.5Q458K456-Q458 PolarHBondContact O-N 3.29Å
457V50.2Low55.6Low127 Ų127146.6 Ų146.677%0.7771%0.705SS**THydrogen-bonded Turntrans-57.7-4.3-179.9176.60000114.9K455 E459K455-V457 PolarHBondContact O-N 2.88Å; V457-E459 PolarHBondContact O-N 2.72Å
458Q51.8Low54.4Low155 Ų155151.3 Ų151.372%0.72472%0.717SS**Hα-helixtrans-66.5-32.8-176.6-163.772.6900113.3K456K456-Q458 PolarHBondContact O-N 3.29Å
459E53.8Low53.7Low124 Ų124151.3 Ų151.358%0.57972%0.724SS**Hα-helixtrans-80.2-28.6-170-165.7172.2-173.600113.4V457 Q463V457-E459 PolarHBondContact O-N 2.72Å; E459-Q463 PolarHBondContact O-N 3.39Å
460Q47.3Very low53.3Low156 Ų156146.6 Ų146.673%0.72972%0.716SS**Hα-helixtrans-75.7-36.6-179.3-163.5172.123.500112.1E462 Q463 E464Q460-E462 VanDerWaalsContact C-N 3.28Å; Q460-E462 PolarHBondContact O-N 3.39Å; Q460-Q463 PolarHBondContact O-N 3.27Å; Q460-E464 PolarHBondContact O-N 3.35Å
461R57.3Low52.7Low204 Ų204140.7 Ų140.777%0.7770%0.697SS**Hα-helixtrans-66.8-30.1176.6-163.4178-173.2-164.71.6112.4A465R461-A465 PolarHBondContact O-N 3.45Å
462E58.7Low53.2Low109 Ų109145.9 Ų145.951%0.50972%0.715SS.*Hα-helixtrans-75.8-29.7178.8-161.1-179.9165.800112.7Q460Q460-E462 VanDerWaalsContact C-N 3.28Å; Q460-E462 PolarHBondContact O-N 3.39Å
463Q48.9Very low54.2Low132 Ų132142.4 Ų142.462%0.61770%0.697SS**Hα-helixtrans-76-32.9174.5-71.5-172.724.200112.6E459 Q460 K466E459-Q463 PolarHBondContact O-N 3.39Å; Q460-Q463 PolarHBondContact O-N 3.27Å; Q463-K466 PolarHBondContact O-N 2.99Å
464E55.4Low54.9Low147 Ų147137.7 Ų137.769%0.68768%0.681SS**Hα-helixtrans-71.5-36.9176.8-148.8166.6-154.500111.5Q460 K466 R467Q460-E464 PolarHBondContact O-N 3.35Å; E464-K466 PolarHBondContact O-N 2.91Å; E464-R467 PolarHBondContact O-N 2.84Å; E464-R467 VanDerWaalsContact O-N 3.08Å
465A56.9Low56Low76 Ų76131.2 Ų131.263%0.62865%0.651SS**THydrogen-bonded Turntrans-65.2-17.8174.800000114.7R461R461-A465 PolarHBondContact O-N 3.45Å
466K53.4Low56.8Low170 Ų170124.9 Ų124.974%0.73963%0.628SS**THydrogen-bonded Turntrans-84.9-16.6174-83177.4-179.2164.20113.7Q463 E464Q463-K466 PolarHBondContact O-N 2.99Å; E464-K466 PolarHBondContact O-N 2.91Å
467R50.5Low57.7Low226 Ų226120 Ų12085%0.85361%0.61SS**THydrogen-bonded Turntrans-100.4-7.7-176.5-89.9-169.3169.3-158.2-1.5113.9E464 P469E464-R467 PolarHBondContact O-N 2.84Å; E464-R467 VanDerWaalsContact O-N 3.08Å; R467-P469 WeakPolarHBondContact O-CD 3.47Å
468E43.8Very low58.8Low158 Ų158117.4 Ų117.474%0.73859%0.592SS**SBendtrans-68.7124.4179.8-153.1-175.8-160.900110.3
469P51.2Low59.7Low110 Ų110112.3 Ų112.371%0.71457%0.573SS**  trans-57141.4170.6-16.429000108.7R467 G471R467-P469 WeakPolarHBondContact O-CD 3.47Å; P469-G471 VanDerWaalsContact C-N 3.32Å; P469-G471 PolarHBondContact O-N 3.37Å
470V62.1Low60.7Low96 Ų96113.4 Ų113.458%0.58257%0.572SS**  trans-51.794.5177.1175.60000109.7
471G51.8Low62Low36 Ų36113.9 Ų113.937%0.37157%0.567SS.*  trans-75.5139.3176.500000109.8P469 D473P469-G471 VanDerWaalsContact C-N 3.32Å; P469-G471 PolarHBondContact O-N 3.37Å; G471-D473 PolarHBondContact O-N 3.48Å
472N57.1Low62.7Low151 Ų151106.4 Ų106.481%0.80754%0.542SS*.  trans-70.951.2169.6-71.4-3.9000110.9
473D75.8Confident63.2Low87 Ų87104 Ų10447%0.46554%0.541SS..  trans-83.4142.6173.8174.643.4000110.1G471 A475 T476 I477G471-D473 PolarHBondContact O-N 3.48Å; D473-A475 PolarHBondContact O-N 2.8Å; D473-A475 VanDerWaalsContact OD2-CB 3.28Å; D473-A475 WeakPolarHBondContact OD2-CB 3.43Å; D473-A475 PolarHBondContact OD2-N 3.3Å; D473-T476 WeakPolarHBondContact O-CA 3.37Å; D473-T476 WeakPolarHBondContact O-CB 3.13Å; D473-T476 PolarHBondContact O-N 3.26Å; D473-I477 WeakPolarHBondContact O-CG1 3.41Å; D473-I477 PolarHBondContact O-N 2.73Å
474V67Low64.1Low83 Ų83102.8 Ų102.850%0.50354%0.543SS..Hα-helixtrans-58.5-39.3-177.7177.30000110.6T476 I477 L478V474-T476 VanDerWaalsContact C-N 3.33Å; V474-T476 PolarHBondContact O-N 2.97Å; V474-I477 PolarHBondContact O-N 2.89Å; V474-L478 HydrophobicContact CG1-CD1 3.79Å; V474-L478 HydrophobicContact CG1-CG 4.3Å; V474-L478 WeakPolarHBondContact O-CB 3.26Å; V474-L478 VanDerWaalsContact O-CG 3.29Å; V474-L478 WeakPolarHBondContact O-CG 3.32Å; V474-L478 PolarHBondContact O-N 3.4Å
475A70.4Confident64.1Low29 Ų29101.7 Ų101.724%0.2454%0.537CS..Hα-helixtrans-67.1-36.5177.200000111.5M165 D473 S479M165-A475 HydrophobicContact SD-CB 4.07Å; D473-A475 PolarHBondContact O-N 2.8Å; D473-A475 VanDerWaalsContact OD2-CB 3.28Å; D473-A475 WeakPolarHBondContact OD2-CB 3.43Å; D473-A475 PolarHBondContact OD2-N 3.3Å; A475-S479 WeakPolarHBondContact O-CB 3.23Å; A475-S479 PolarHBondContact O-N 2.84Å; A475-S479 PolarHBondContact O-OG 2.96Å
476T74.6Confident64Low53 Ų53104.7 Ų104.733%0.32553%0.534SS..Hα-helixtrans-69-40.2175.8-60.80000112D473 V474 R480D473-T476 WeakPolarHBondContact O-CA 3.37Å; D473-T476 WeakPolarHBondContact O-CB 3.13Å; D473-T476 PolarHBondContact O-N 3.26Å; V474-T476 VanDerWaalsContact C-N 3.33Å; V474-T476 PolarHBondContact O-N 2.97Å; T476-R480 WeakPolarHBondContact O-CB 3.44Å; T476-R480 WeakPolarHBondContact O-CG 3.5Å; T476-R480 PolarHBondContact O-N 3.29Å
477I73.8Confident63.9Low91 Ų91101.6 Ų101.647%0.46753%0.533SS..Hα-helixtrans-67.1-45.9178-66.1165.2000110.8D473 V474 R480 R481D473-I477 WeakPolarHBondContact O-CG1 3.41Å; D473-I477 PolarHBondContact O-N 2.73Å; V474-I477 PolarHBondContact O-N 2.89Å; I477-R480 PolarHBondContact O-N 3.26Å; I477-R481 WeakPolarHBondContact O-CB 3.2Å; I477-R481 PolarHBondContact O-N 3.16Å
478L73.4Confident63.6Low73 Ų7398.4 Ų98.438%0.38253%0.533SS..Hα-helixtrans-66.9-42.2177.2-69.1172.8000111.5W161 V474 R480 R481 I482W161-L478 HydrophobicContact CH2-CD1 4.46Å; V474-L478 HydrophobicContact CG1-CD1 3.79Å; V474-L478 HydrophobicContact CG1-CG 4.3Å; V474-L478 WeakPolarHBondContact O-CB 3.26Å; V474-L478 VanDerWaalsContact O-CG 3.29Å; V474-L478 WeakPolarHBondContact O-CG 3.32Å; V474-L478 PolarHBondContact O-N 3.4Å; L478-R480 VanDerWaalsContact C-N 3.29Å; L478-R480 PolarHBondContact O-N 3.44Å; L478-R481 PolarHBondContact O-N 2.81Å; L478-I482 WeakPolarHBondContact O-CB 3.46Å; L478-I482 VanDerWaalsContact O-CG1 3.3Å; L478-I482 WeakPolarHBondContact O-CG1 3.15Å; L478-I482 PolarHBondContact O-N 2.8Å
479S70.8Confident63.5Low48 Ų4895 Ų9534%0.33653%0.527SS..Hα-helixtrans-58.4-41.5174.1-64.20000111.8A475 A483A475-S479 WeakPolarHBondContact O-CB 3.23Å; A475-S479 PolarHBondContact O-N 2.84Å; A475-S479 PolarHBondContact O-OG 2.96Å; S479-A483 VanDerWaalsContact O-CB 3.26Å; S479-A483 WeakPolarHBondContact O-CB 3.31Å; S479-A483 PolarHBondContact O-N 3.01Å; S479-A483 VanDerWaalsContact O-N 3.08Å
480R73.9Confident63.2Low147 Ų14796.2 Ų96.256%0.55553%0.527SS*.Hα-helixtrans-66.3-45.8175.1-82.7-177-178.5-138.9-2.3112.1T476 I477 L478 A483 V484T476-R480 WeakPolarHBondContact O-CB 3.44Å; T476-R480 WeakPolarHBondContact O-CG 3.5Å; T476-R480 PolarHBondContact O-N 3.29Å; I477-R480 PolarHBondContact O-N 3.26Å; L478-R480 VanDerWaalsContact C-N 3.29Å; L478-R480 PolarHBondContact O-N 3.44Å; R480-A483 PolarHBondContact O-N 3.27Å; R480-V484 WeakPolarHBondContact O-CG2 3.35Å; R480-V484 PolarHBondContact O-N 3.34Å
481R75.5Confident62.4Low165 Ų16598.9 Ų98.962%0.62354%0.538SS*.Hα-helixtrans-62.4-44.9-177.7-171.8172.1-177.5166.11.6112I477 L478 V484 E485I477-R481 WeakPolarHBondContact O-CB 3.2Å; I477-R481 PolarHBondContact O-N 3.16Å; L478-R481 PolarHBondContact O-N 2.81Å; R481-V484 PolarHBondContact O-N 3.49Å; R481-E485 PolarHBondContact O-N 3.35Å; R481-E485 VanDerWaalsContact O-N 3.1Å
482I71.2Confident62.3Low47 Ų47105.3 Ų105.324%0.24156%0.564CS.*Hα-helixtrans-63.6-46.2175.5-66.8171.3000110.1T169 L478 V484 E485 Y486T169-I482 HydrophobicContact CG2-CD1 4.42Å; T169-I482 HydrophobicContact CG2-CG2 4.36Å; L478-I482 WeakPolarHBondContact O-CB 3.46Å; L478-I482 VanDerWaalsContact O-CG1 3.3Å; L478-I482 WeakPolarHBondContact O-CG1 3.15Å; L478-I482 PolarHBondContact O-N 2.8Å; I482-V484 PolarHBondContact O-N 2.94Å; I482-E485 PolarHBondContact O-N 2.94Å; I482-Y486 HydrophobicContact CG2-CD2 3.77Å; I482-Y486 HydrophobicContact CG2-CE2 3.75Å; I482-Y486 VanDerWaalsContact O-CD2 3.22Å; I482-Y486 WeakPolarHBondContact O-CD2 3.31Å; I482-Y486 PolarHBondContact O-N 3.31Å
483A68.9Low62Low60 Ų60103.7 Ų103.750%0.49656%0.564SS.*Hα-helixtrans-62.4-3018000000113.8S479 R480S479-A483 VanDerWaalsContact O-CB 3.26Å; S479-A483 WeakPolarHBondContact O-CB 3.31Å; S479-A483 PolarHBondContact O-N 3.01Å; S479-A483 VanDerWaalsContact O-N 3.08Å; R480-A483 PolarHBondContact O-N 3.27Å
484V67.9Low60.7Low106 Ų106108.1 Ų108.164%0.64258%0.583SS**Hα-helixtrans-77.1-43.5176.8172.70000111.2R480 R481 I482 Y486 S487R480-V484 WeakPolarHBondContact O-CG2 3.35Å; R480-V484 PolarHBondContact O-N 3.34Å; R481-V484 PolarHBondContact O-N 3.49Å; I482-V484 PolarHBondContact O-N 2.94Å; V484-Y486 VanDerWaalsContact C-N 3.28Å; V484-Y486 PolarHBondContact O-N 3.48Å; V484-S487 PolarHBondContact O-N 3.44Å; V484-S487 VanDerWaalsContact O-N 3.15Å
485E56.7Low59.5Low124 Ų124114 Ų11458%0.57960%0.602SS**Hα-helixtrans-62.7-29.8178.9-87.317318000113.5R481 I482R481-E485 PolarHBondContact O-N 3.35Å; R481-E485 VanDerWaalsContact O-N 3.1Å; I482-E485 PolarHBondContact O-N 2.94Å
486Y54.3Low58.2Low139 Ų139119.5 Ų119.555%0.54563%0.627SS.*THydrogen-bonded Turntrans-90.4-5.6176.4-73-74.6000114.5I482 V484I482-Y486 HydrophobicContact CG2-CD2 3.77Å; I482-Y486 HydrophobicContact CG2-CE2 3.75Å; I482-Y486 VanDerWaalsContact O-CD2 3.22Å; I482-Y486 WeakPolarHBondContact O-CD2 3.31Å; I482-Y486 PolarHBondContact O-N 3.31Å; V484-Y486 VanDerWaalsContact C-N 3.28Å; V484-Y486 PolarHBondContact O-N 3.48Å
487S50.1Low56.6Low105 Ų105126.5 Ų126.573%0.73466%0.656SS**SBendtrans-86.1-10.4178.1-1140000113.2V484V484-S487 PolarHBondContact O-N 3.44Å; V484-S487 VanDerWaalsContact O-N 3.15Å
488D44.6Very low55.2Low158 Ų158128.8 Ų128.885%0.84567%0.669SS**SBendtrans-107.4-0.1-174.9-146.528.4000113
489S42.7Very low53.8Low87 Ų87131.3 Ų131.361%0.60868%0.683SS**SBendtrans-120.29.8-173.998.80000116.1
490D45.4Very low52.7Low136 Ų136141.1 Ų141.173%0.72771%0.713SS**SBendtrans-122.516.9-171.5-100.3-18.2000113.9
491D43.5Very low51Low152 Ų152139 Ų13981%0.81372%0.721SS**SBendtrans-13545-175.5-158.235.4000114.7
492D49.9Very low49.3Very low171 Ų171142.5 Ų142.591%0.91475%0.752SS**SBendtrans-15228.6177.4-100.5-23.4000116.9
493S52.3Low48.2Very low116 Ų116147.3 Ų147.381%0.81178%0.777SS**  trans-16282.9166.961.70000114.7
494E48.6Very low47.1Very low181 Ų181151.8 Ų151.885%0.84679%0.792SS**SBendtrans-170.9131.7144.8-110.2176.6-167.300107.8
495F41Very low45.9Very low206 Ų206154.4 Ų154.490%0.90480%0.8SS**  trans90.587.1-170.2-68.9-94.1000115.5
496D43.2Very low45.3Very low145 Ų145156.2 Ų156.278%0.77581%0.813SS**  178.6109.495.7-1589.1000110.2
497E40.3Very low44.7Very low200 Ų200157.3 Ų157.394%0.93583%0.83SS**  trans-152.165.3158.1-135171.4-155.600108.8D499E497-D499 PolarHBondContact O-N 3.44Å
498N44.4Very low44.4Very low139 Ų139160.7 Ų160.774%0.74384%0.836SS**  trans-89.989.7170.8-128.189.9000109.3
499D43.9Very low44.4Very low126 Ų126160.9 Ų160.967%0.67484%0.836SS**  trans32.799.2137.5-157.119.9000118E497E497-D499 PolarHBondContact O-N 3.44Å
500W47.9Very low44.5Very low253 Ų253166.6 Ų166.696%0.95885%0.853SS**  trans-121.999.2153.9-79.686.5000109.1
501S38.8Very low44.4Very low103 Ų103169.2 Ų169.272%0.7286%0.864SS**  trans-154.992.5157.119.30000111.6
502D39.3Very low44.5Very low238 Ų238170.7 Ų170.7100%1.27387%0.868SS**  -170.50116.2-165.524.5000109.5

Retrieved 502 of 502 residues in 532.8 ms (Link to these results)