X2JF03_DROME Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession X2JF03, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG14408, Length 494 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
1M56.3Low70.6Confident194 Ų194112.8 Ų112.896%0.95662%0.622SS**  0-69.80-64.3-43.4-144.100112.9A3 L4 Y5M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.39Å; M1-A3 VanDerWaalsContact O-N 3.17Å; M1-L4 PolarHBondContact O-N 3.24Å; M1-L4 VanDerWaalsContact O-N 3.08Å; M1-Y5 PolarHBondContact O-N 3Å
2H59.2Low72.5Confident180 Ų180114.3 Ų114.383%0.83361%0.613SS**Hα-helixtrans-49.9-44.4-175.1-101.4-117.7000115.5L4 Y5 C6H2-L4 VanDerWaalsContact C-N 3.31Å; H2-L4 PolarHBondContact O-N 3.05Å; H2-Y5 PolarHBondContact O-N 2.78Å; H2-C6 PolarHBondContact O-N 3.41Å
3A59.5Low74.2Confident80 Ų80116.5 Ų116.566%0.66161%0.609SS**Hα-helixtrans-61.1-34.4-179.200000114.2M1 C6 T7M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.39Å; M1-A3 VanDerWaalsContact O-N 3.17Å; A3-C6 WeakPolarHBondContact O-CB 3.32Å; A3-C6 PolarHBondContact O-N 3.31Å; A3-T7 PolarHBondContact O-N 3.2Å
4L59.7Low75.6Confident115 Ų115118 Ų11860%0.60261%0.612SS**Hα-helixtrans-76.2-29.6-179.7-66.1175.7000112.7M1 H2 C6 T7 L8M1-L4 PolarHBondContact O-N 3.24Å; M1-L4 VanDerWaalsContact O-N 3.08Å; H2-L4 VanDerWaalsContact C-N 3.31Å; H2-L4 PolarHBondContact O-N 3.05Å; L4-C6 VanDerWaalsContact C-N 3.33Å; L4-T7 PolarHBondContact O-OG1 3.45Å; L4-L8 PolarHBondContact O-N 3.14Å
5Y62.2Low76.9Confident169 Ų169114.9 Ų114.966%0.66360%0.6SS**Hα-helixtrans-67.9-36.7172.4-110.1-90.9000111.3M1 H2 T7 L8 C9M1-Y5 PolarHBondContact O-N 3Å; H2-Y5 PolarHBondContact O-N 2.78Å; Y5-T7 PolarHBondContact O-N 3.43Å; Y5-L8 PolarHBondContact O-N 3.38Å; Y5-C9 PolarHBondContact O-N 3.37Å; Y5-C9 PolarHBondContact O-SG 2.88Å; Y5-C9 VanDerWaalsContact O-SG 3.4Å
6C66.8Low78Confident92 Ų92115.9 Ų115.962%0.62259%0.593SS**Hα-helixtrans-61.7-41.6178.4-160.80000112.3H2 A3 L4 S10H2-C6 PolarHBondContact O-N 3.41Å; A3-C6 WeakPolarHBondContact O-CB 3.32Å; A3-C6 PolarHBondContact O-N 3.31Å; L4-C6 VanDerWaalsContact C-N 3.33Å; C6-S10 PolarHBondContact O-N 2.68Å
7T75Confident79Confident96 Ų96112.8 Ų112.859%0.58959%0.589SS**Hα-helixtrans-69.3-35.8178.247.60000113.2A3 L4 Y5A3-T7 PolarHBondContact O-N 3.2Å; L4-T7 PolarHBondContact O-OG1 3.45Å; Y5-T7 PolarHBondContact O-N 3.43Å
8L78.2Confident80Confident133 Ų133113.1 Ų113.170%0.69659%0.591SS**Hα-helixtrans-71.4-34.5177.6-76.8168.2000112.8L4 Y5L4-L8 PolarHBondContact O-N 3.14Å; Y5-L8 PolarHBondContact O-N 3.38Å
9C83.9Confident80.9Confident44 Ų44113.4 Ų113.430%0.29759%0.585SS.*Hα-helixtrans-86.9-15.5179.1-60.70000114Y5 Y12 Y13Y5-C9 PolarHBondContact O-N 3.37Å; Y5-C9 PolarHBondContact O-SG 2.88Å; Y5-C9 VanDerWaalsContact O-SG 3.4Å; C9-Y12 PolarHBondContact O-N 3.31Å; C9-Y13 HydrophobicContact CB-CD2 3.95Å; C9-Y13 HydrophobicContact CB-CE2 3.78Å; C9-Y13 VanDerWaalsContact O-CD2 3.26Å; C9-Y13 WeakPolarHBondContact O-CD2 3.43Å; C9-Y13 PolarHBondContact O-N 3.43Å; C9-Y13 VanDerWaalsContact O-N 3.15Å
10S85.2Confident81.7Confident63 Ų63111.5 Ų111.544%0.44158%0.576SS.*Hα-helixtrans-49.8-54.3-179.6-163.80000114.4C6 Y12 Y13 E14C6-S10 PolarHBondContact O-N 2.68Å; S10-Y12 VanDerWaalsContact C-N 3.29Å; S10-Y12 PolarHBondContact O-N 2.85Å; S10-Y13 PolarHBondContact O-N 3.47Å; S10-Y13 VanDerWaalsContact O-N 3.16Å; S10-E14 WeakPolarHBondContact O-CB 3.43Å; S10-E14 PolarHBondContact O-N 3.34Å
11P90.3Very high82.5Confident75 Ų75108 Ų10849%0.48757%0.567SS.*Hα-helixtrans-64.2-31.8-17724.8-35000113.2T15P11-T15 VanDerWaalsContact O-CB 3.24Å; P11-T15 WeakPolarHBondContact O-CB 3.36Å; P11-T15 PolarHBondContact O-N 3.03Å; P11-T15 PolarHBondContact O-OG1 3.23Å
12Y93.4Very high84.5Confident130 Ų130103.7 Ų103.751%0.5155%0.548SS..Hα-helixtrans-64.4-47.8173.7167.3-93000111.6C9 S10 T15 R16C9-Y12 PolarHBondContact O-N 3.31Å; S10-Y12 VanDerWaalsContact C-N 3.29Å; S10-Y12 PolarHBondContact O-N 2.85Å; Y12-T15 PolarHBondContact O-N 2.74Å; Y12-R16 VanDerWaalsContact O-CB 3.23Å; Y12-R16 WeakPolarHBondContact O-CB 3.47Å; Y12-R16 PolarHBondContact O-N 3.02Å; Y12-R16 PolarHBondContact OH-NH1 2.9Å; Y12-R16 VanDerWaalsContact OH-NH1 3.08Å
13Y94.2Very high86.3Confident144 Ų144100.2 Ų100.257%0.56554%0.535SS*.Hα-helixtrans-68.6-36.6-179.6-76-66.5000112.5C9 S10 A17C9-Y13 HydrophobicContact CB-CD2 3.95Å; C9-Y13 HydrophobicContact CB-CE2 3.78Å; C9-Y13 VanDerWaalsContact O-CD2 3.26Å; C9-Y13 WeakPolarHBondContact O-CD2 3.43Å; C9-Y13 PolarHBondContact O-N 3.43Å; C9-Y13 VanDerWaalsContact O-N 3.15Å; S10-Y13 PolarHBondContact O-N 3.47Å; S10-Y13 VanDerWaalsContact O-N 3.16Å; Y13-A17 VanDerWaalsContact O-CB 3.29Å; Y13-A17 WeakPolarHBondContact O-CB 3.38Å; Y13-A17 PolarHBondContact O-N 3.39Å
14E93.9Very high88.2Confident137 Ų137102.9 Ų102.964%0.6453%0.531SS*.Hα-helixtrans-62.8-49.7173.9-175.9171.6-171.700111.7S10 R16 A17 N18S10-E14 WeakPolarHBondContact O-CB 3.43Å; S10-E14 PolarHBondContact O-N 3.34Å; E14-R16 PolarHBondContact O-N 3.07Å; E14-A17 WeakPolarHBondContact O-CB 3.36Å; E14-A17 PolarHBondContact O-N 2.93Å; E14-A17 VanDerWaalsContact O-N 3.16Å; E14-N18 PolarHBondContact O-N 3Å
15T95.1Very high90Very high71 Ų71100.3 Ų100.344%0.43653%0.527SS..Hα-helixtrans-60.1-45176.4-58.40000111.3P11 Y12 A17 N18 Y19P11-T15 VanDerWaalsContact O-CB 3.24Å; P11-T15 WeakPolarHBondContact O-CB 3.36Å; P11-T15 PolarHBondContact O-N 3.03Å; P11-T15 PolarHBondContact O-OG1 3.23Å; Y12-T15 PolarHBondContact O-N 2.74Å; T15-A17 VanDerWaalsContact C-N 3.32Å; T15-A17 PolarHBondContact O-N 3.46Å; T15-N18 PolarHBondContact O-N 3.06Å; T15-Y19 HydrophobicContact CG2-CD2 3.77Å; T15-Y19 HydrophobicContact CG2-CE2 3.45Å; T15-Y19 VanDerWaalsContact CG2-CE2 3.45Å; T15-Y19 VanDerWaalsContact O-CD2 3.26Å; T15-Y19 WeakPolarHBondContact O-CD2 3.34Å; T15-Y19 PolarHBondContact O-N 3.35Å
16R95.6Very high91.7Very high131 Ų13198 Ų9849%0.49452%0.522SS..Hα-helixtrans-62.6-36.1176.1-178.9175.5176.3170.5-2.1112.7Y12 E14 N20Y12-R16 VanDerWaalsContact O-CB 3.23Å; Y12-R16 WeakPolarHBondContact O-CB 3.47Å; Y12-R16 PolarHBondContact O-N 3.02Å; Y12-R16 PolarHBondContact OH-NH1 2.9Å; Y12-R16 VanDerWaalsContact OH-NH1 3.08Å; E14-R16 PolarHBondContact O-N 3.07Å; R16-N20 WeakPolarHBondContact O-CB 3.18Å; R16-N20 PolarHBondContact O-N 2.98Å; R16-N20 VanDerWaalsContact O-N 3.09Å; R16-N20 PolarHBondContact O-ND2 2.76Å
17A95.1Very high93.2Very high64 Ų64100 Ų10053%0.52952%0.52SS..Hα-helixtrans-69.5-42175.500000111.6Y13 E14 T15 N20 G21Y13-A17 VanDerWaalsContact O-CB 3.29Å; Y13-A17 WeakPolarHBondContact O-CB 3.38Å; Y13-A17 PolarHBondContact O-N 3.39Å; E14-A17 WeakPolarHBondContact O-CB 3.36Å; E14-A17 PolarHBondContact O-N 2.93Å; E14-A17 VanDerWaalsContact O-N 3.16Å; T15-A17 VanDerWaalsContact C-N 3.32Å; T15-A17 PolarHBondContact O-N 3.46Å; A17-N20 PolarHBondContact O-N 3.02Å; A17-G21 PolarHBondContact O-N 3.29Å
18N96.1Very high94.3Very high117 Ų11799 Ų9963%0.62651%0.514SS*.Hα-helixtrans-58.8-54.7175.7-170.9-37.6000111.2E14 T15 N20 G21 L22E14-N18 PolarHBondContact O-N 3Å; T15-N18 PolarHBondContact O-N 3.06Å; N18-N20 VanDerWaalsContact C-N 3.29Å; N18-N20 PolarHBondContact O-N 3.28Å; N18-G21 WeakPolarHBondContact O-CA 3.42Å; N18-G21 PolarHBondContact O-N 3.2Å; N18-L22 PolarHBondContact O-N 3.07Å
19Y97.6Very high95.3Very high119 Ų119101.1 Ų101.147%0.46751%0.513SS..Hα-helixtrans-60-36176.3-72.8-59000113T15 G21 L22 L23T15-Y19 HydrophobicContact CG2-CD2 3.77Å; T15-Y19 HydrophobicContact CG2-CE2 3.45Å; T15-Y19 VanDerWaalsContact CG2-CE2 3.45Å; T15-Y19 VanDerWaalsContact O-CD2 3.26Å; T15-Y19 WeakPolarHBondContact O-CD2 3.34Å; T15-Y19 PolarHBondContact O-N 3.35Å; Y19-G21 VanDerWaalsContact C-N 3.34Å; Y19-L22 PolarHBondContact O-N 3.04Å; Y19-L23 WeakPolarHBondContact O-CB 3.34Å; Y19-L23 VanDerWaalsContact O-CG 3.3Å; Y19-L23 WeakPolarHBondContact O-CG 3.41Å; Y19-L23 PolarHBondContact O-N 3.5Å
20N96.9Very high96Very high75 Ų75102.1 Ų102.140%0.40152%0.517SS..Hα-helixtrans-64.7-36.7172.3-98.3-98.1000112.8R16 A17 N18 K24R16-N20 WeakPolarHBondContact O-CB 3.18Å; R16-N20 PolarHBondContact O-N 2.98Å; R16-N20 VanDerWaalsContact O-N 3.09Å; R16-N20 PolarHBondContact O-ND2 2.76Å; A17-N20 PolarHBondContact O-N 3.02Å; N18-N20 VanDerWaalsContact C-N 3.29Å; N18-N20 PolarHBondContact O-N 3.28Å; N20-K24 WeakPolarHBondContact O-CB 3.31Å; N20-K24 WeakPolarHBondContact O-CD 3.44Å; N20-K24 WeakPolarHBondContact O-CG 3.44Å; N20-K24 PolarHBondContact O-N 2.98Å
21G97.9Very high96.6Very high38 Ų38103.1 Ų103.139%0.39252%0.517SS..Hα-helixtrans-62.5-49.1172.600000111.6A17 N18 Y19 K24 A25A17-G21 PolarHBondContact O-N 3.29Å; N18-G21 WeakPolarHBondContact O-CA 3.42Å; N18-G21 PolarHBondContact O-N 3.2Å; Y19-G21 VanDerWaalsContact C-N 3.34Å; G21-K24 PolarHBondContact O-N 3.29Å; G21-A25 PolarHBondContact O-N 3.12Å
22L97.9Very high97Very high105 Ų105104.1 Ų104.155%0.5552%0.516SS..Hα-helixtrans-61.7-47.7179.3-174.661.5000112.2N18 Y19 K24 A25 Q26N18-L22 PolarHBondContact O-N 3.07Å; Y19-L22 PolarHBondContact O-N 3.04Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.39Å; L22-A25 PolarHBondContact O-N 3.34Å; L22-Q26 WeakPolarHBondContact O-CB 3.45Å; L22-Q26 PolarHBondContact O-N 3.24Å
23L98.3Very high97.3Very high107 Ų107102.3 Ų102.356%0.5651%0.514SS*.Hα-helixtrans-62.5-37176.6-72.6170.7000112.3Y19 K27Y19-L23 WeakPolarHBondContact O-CB 3.34Å; Y19-L23 VanDerWaalsContact O-CG 3.3Å; Y19-L23 WeakPolarHBondContact O-CG 3.41Å; Y19-L23 PolarHBondContact O-N 3.5Å; L23-K27 VanDerWaalsContact O-CB 3.22Å; L23-K27 WeakPolarHBondContact O-CB 3.33Å; L23-K27 PolarHBondContact O-N 3.48Å
24K98.4Very high97.5Very high136 Ų136101.2 Ų101.259%0.59152%0.515SS*.Hα-helixtrans-65.1-46.1173.1-76.5169.5-174.1177.20111.4N20 G21 L22 K27 T28N20-K24 WeakPolarHBondContact O-CB 3.31Å; N20-K24 WeakPolarHBondContact O-CD 3.44Å; N20-K24 WeakPolarHBondContact O-CG 3.44Å; N20-K24 PolarHBondContact O-N 2.98Å; G21-K24 PolarHBondContact O-N 3.29Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.39Å; K24-K27 PolarHBondContact O-N 3.42Å; K24-T28 PolarHBondContact O-N 3.24Å; K24-T28 PolarHBondContact O-OG1 3.39Å; K24-T28 VanDerWaalsContact O-OG1 3.11Å
25A97.8Very high97.7Very high61 Ų6197.3 Ų97.350%0.50451%0.506SS..Hα-helixtrans-61.9-44.8177.900000111.9G21 L22 T28 R29G21-A25 PolarHBondContact O-N 3.12Å; L22-A25 PolarHBondContact O-N 3.34Å; A25-T28 PolarHBondContact O-N 3.46Å; A25-R29 PolarHBondContact O-N 3.19Å
26Q98.2Very high97.9Very high119 Ų11999.9 Ų99.956%0.55651%0.511SS*.Hα-helixtrans-62.3-43.5175.3-170.7179.412.800111.5L22 R29 V30L22-Q26 WeakPolarHBondContact O-CB 3.45Å; L22-Q26 PolarHBondContact O-N 3.24Å; Q26-R29 PolarHBondContact O-N 3.44Å; Q26-V30 WeakPolarHBondContact O-CG2 3.44Å; Q26-V30 PolarHBondContact O-N 2.98Å
27K98.5Very high98Very high134 Ų13497.3 Ų97.358%0.58351%0.51SS*.Hα-helixtrans-61.7-44176-177.7175.3-179.9177.40112.5L23 K24 R29 V30 N31L23-K27 VanDerWaalsContact O-CB 3.22Å; L23-K27 WeakPolarHBondContact O-CB 3.33Å; L23-K27 PolarHBondContact O-N 3.48Å; K24-K27 PolarHBondContact O-N 3.42Å; K27-R29 VanDerWaalsContact C-N 3.33Å; K27-R29 PolarHBondContact O-N 2.97Å; K27-V30 PolarHBondContact O-N 3.48Å; K27-N31 VanDerWaalsContact O-CG 3.32Å; K27-N31 PolarHBondContact O-N 3.12Å; K27-N31 PolarHBondContact O-OD1 2.89Å
28T98.4Very high98.2Very high76 Ų7697.3 Ų97.347%0.46651%0.505SS..Hα-helixtrans-59.9-44.9174.6-59.90000110.8K24 A25 V30 N31 E32K24-T28 PolarHBondContact O-N 3.24Å; K24-T28 PolarHBondContact O-OG1 3.39Å; K24-T28 VanDerWaalsContact O-OG1 3.11Å; A25-T28 PolarHBondContact O-N 3.46Å; T28-V30 VanDerWaalsContact C-N 3.35Å; T28-V30 PolarHBondContact O-N 2.88Å; T28-N31 PolarHBondContact O-N 3.48Å; T28-E32 WeakPolarHBondContact O-CG 3.47Å; T28-E32 PolarHBondContact O-N 3.19Å
29R98.4Very high98.3Very high178 Ų17894.1 Ų94.167%0.67250%0.496SS*.Hα-helixtrans-61.2-39.2176.3-174.8174.3-179.5158.40.4112.9A25 Q26 K27 L33A25-R29 PolarHBondContact O-N 3.19Å; Q26-R29 PolarHBondContact O-N 3.44Å; K27-R29 VanDerWaalsContact C-N 3.33Å; K27-R29 PolarHBondContact O-N 2.97Å; R29-L33 HydrophobicContact CG-CD1 4.33Å; R29-L33 WeakPolarHBondContact O-CB 3.31Å; R29-L33 VanDerWaalsContact O-CG 3.28Å; R29-L33 WeakPolarHBondContact O-CG 3.4Å; R29-L33 PolarHBondContact O-N 3.32Å
30V98.7Very high98.4Very high65 Ų6591.3 Ų91.339%0.39450%0.497SS..Hα-helixtrans-63-51173.5170.10000110.4Q26 K27 T28 E32 L33 E34Q26-V30 WeakPolarHBondContact O-CG2 3.44Å; Q26-V30 PolarHBondContact O-N 2.98Å; K27-V30 PolarHBondContact O-N 3.48Å; T28-V30 VanDerWaalsContact C-N 3.35Å; T28-V30 PolarHBondContact O-N 2.88Å; V30-E32 VanDerWaalsContact C-N 3.3Å; V30-E32 PolarHBondContact O-N 3.15Å; V30-L33 PolarHBondContact O-N 3.14Å; V30-E34 HydrophobicContact CG1-CG 4.3Å; V30-E34 WeakPolarHBondContact O-CG 3.47Å; V30-E34 PolarHBondContact O-N 2.96Å
31N98.6Very high98.4Very high83 Ų8394.6 Ų94.644%0.44451%0.508SS..Hα-helixtrans-57.1-41.4178.2-695.6000112.4K27 T28 E34 A35K27-N31 VanDerWaalsContact O-CG 3.32Å; K27-N31 PolarHBondContact O-N 3.12Å; K27-N31 PolarHBondContact O-OD1 2.89Å; T28-N31 PolarHBondContact O-N 3.48Å; N31-E34 PolarHBondContact O-N 3.22Å; N31-A35 WeakPolarHBondContact O-CB 3.44Å; N31-A35 PolarHBondContact O-N 3.13Å
32E98.6Very high98.5Very high96 Ų9698.6 Ų98.645%0.44952%0.519SS..Hα-helixtrans-64-40.3175.5-76.7179.5-149.300112.7T28 V30 A35 K36T28-E32 WeakPolarHBondContact O-CG 3.47Å; T28-E32 PolarHBondContact O-N 3.19Å; V30-E32 VanDerWaalsContact C-N 3.3Å; V30-E32 PolarHBondContact O-N 3.15Å; E32-A35 PolarHBondContact O-N 3.18Å; E32-K36 WeakPolarHBondContact O-CB 3.42Å; E32-K36 WeakPolarHBondContact O-CD 3.31Å; E32-K36 VanDerWaalsContact O-CG 3.26Å; E32-K36 WeakPolarHBondContact O-CG 3.45Å; E32-K36 PolarHBondContact O-N 3.15Å; E32-K36 IonicContact OE2-NZ 3.5Å
33L98.7Very high98.5Very high93 Ų9397.9 Ų97.949%0.48752%0.52SS..Hα-helixtrans-68.4-41.4176.9-73.4173.5000111.3R29 V30 A35 K36 V37R29-L33 HydrophobicContact CG-CD1 4.33Å; R29-L33 WeakPolarHBondContact O-CB 3.31Å; R29-L33 VanDerWaalsContact O-CG 3.28Å; R29-L33 WeakPolarHBondContact O-CG 3.4Å; R29-L33 PolarHBondContact O-N 3.32Å; V30-L33 PolarHBondContact O-N 3.14Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 2.91Å; L33-K36 PolarHBondContact O-N 3.39Å; L33-V37 WeakPolarHBondContact O-CB 3.35Å; L33-V37 VanDerWaalsContact O-CG2 3.28Å; L33-V37 WeakPolarHBondContact O-CG2 3.3Å; L33-V37 PolarHBondContact O-N 3.49Å
34E98.6Very high98.5Very high121 Ų121100.2 Ų100.257%0.56552%0.522SS*.Hα-helixtrans-60.2-42.4173.6-71.7178.3167.600111.7V30 N31 V37 S38V30-E34 HydrophobicContact CG1-CG 4.3Å; V30-E34 WeakPolarHBondContact O-CG 3.47Å; V30-E34 PolarHBondContact O-N 2.96Å; N31-E34 PolarHBondContact O-N 3.22Å; E34-V37 PolarHBondContact O-N 3.39Å; E34-S38 WeakPolarHBondContact O-CB 3.29Å; E34-S38 PolarHBondContact O-N 3.38Å; E34-S38 PolarHBondContact O-OG 3.27Å
35A98.5Very high98.5Very high55 Ų5597 Ų9746%0.45551%0.511SS..Hα-helixtrans-65.6-40.5174.900000112.9N31 E32 L33 S38 A39N31-A35 WeakPolarHBondContact O-CB 3.44Å; N31-A35 PolarHBondContact O-N 3.13Å; E32-A35 PolarHBondContact O-N 3.18Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 2.91Å; A35-S38 PolarHBondContact O-N 3.48Å; A35-S38 PolarHBondContact O-OG 3.21Å; A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 2.95Å
36K98.6Very high98.6Very high125 Ų125100.4 Ų100.454%0.54352%0.517SS..Hα-helixtrans-65.2-40.9174.7-74.3162.6-176.9161.90111.6E32 L33 A40E32-K36 WeakPolarHBondContact O-CB 3.42Å; E32-K36 WeakPolarHBondContact O-CD 3.31Å; E32-K36 VanDerWaalsContact O-CG 3.26Å; E32-K36 WeakPolarHBondContact O-CG 3.45Å; E32-K36 PolarHBondContact O-N 3.15Å; E32-K36 IonicContact OE2-NZ 3.5Å; L33-K36 PolarHBondContact O-N 3.39Å; K36-A40 WeakPolarHBondContact O-CB 3.29Å; K36-A40 PolarHBondContact O-N 2.88Å
37V98.8Very high98.6Very high77 Ų7797 Ų9747%0.46751%0.509SS..Hα-helixtrans-68.4-39177.1168.90000111.8L33 E34 K41L33-V37 WeakPolarHBondContact O-CB 3.35Å; L33-V37 VanDerWaalsContact O-CG2 3.28Å; L33-V37 WeakPolarHBondContact O-CG2 3.3Å; L33-V37 PolarHBondContact O-N 3.49Å; E34-V37 PolarHBondContact O-N 3.39Å; V37-K41 HydrophobicContact CG1-CD 4.26Å; V37-K41 WeakPolarHBondContact O-CB 3.47Å; V37-K41 VanDerWaalsContact O-CG 3.29Å; V37-K41 WeakPolarHBondContact O-CG 3.4Å; V37-K41 PolarHBondContact O-N 3.43Å
38S98.6Very high98.6Very high63 Ų6394.2 Ų94.244%0.44150%0.5SS..Hα-helixtrans-69-40.8176.666.90000112E34 A35 K41 L42E34-S38 WeakPolarHBondContact O-CB 3.29Å; E34-S38 PolarHBondContact O-N 3.38Å; E34-S38 PolarHBondContact O-OG 3.27Å; A35-S38 PolarHBondContact O-N 3.48Å; A35-S38 PolarHBondContact O-OG 3.21Å; S38-K41 PolarHBondContact O-N 3.46Å; S38-L42 WeakPolarHBondContact O-CG 3.4Å; S38-L42 PolarHBondContact O-N 3.3Å
39A98.5Very high98.6Very high51 Ų5196.2 Ų96.242%0.42150%0.503SS..Hα-helixtrans-59.6-49.5172.200000111.8A35 K41 L42 T43A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 2.95Å; A39-K41 VanDerWaalsContact C-N 3.3Å; A39-K41 PolarHBondContact O-N 3.46Å; A39-L42 WeakPolarHBondContact O-CB 3.21Å; A39-L42 PolarHBondContact O-N 3.07Å; A39-T43 PolarHBondContact O-N 3.02Å; A39-T43 PolarHBondContact O-OG1 3.4Å
40A98.7Very high98.6Very high60 Ų6092 Ų9250%0.49649%0.493SS..Hα-helixtrans-59.7-37.8177.800000112.9K36 Y44K36-A40 WeakPolarHBondContact O-CB 3.29Å; K36-A40 PolarHBondContact O-N 2.88Å; A40-Y44 WeakPolarHBondContact O-CB 3.25Å; A40-Y44 PolarHBondContact O-N 2.89Å
41K98.8Very high98.6Very high144 Ų14494.4 Ų94.463%0.62650%0.503SS*.Hα-helixtrans-64.4-38.1173.7-77173.9179.3-178.90112.8V37 S38 A39 N45V37-K41 HydrophobicContact CG1-CD 4.26Å; V37-K41 WeakPolarHBondContact O-CB 3.47Å; V37-K41 VanDerWaalsContact O-CG 3.29Å; V37-K41 WeakPolarHBondContact O-CG 3.4Å; V37-K41 PolarHBondContact O-N 3.43Å; S38-K41 PolarHBondContact O-N 3.46Å; A39-K41 VanDerWaalsContact C-N 3.3Å; A39-K41 PolarHBondContact O-N 3.46Å; K41-N45 WeakPolarHBondContact O-CB 3.36Å; K41-N45 PolarHBondContact O-N 3.25Å
42L98.6Very high98.6Very high122 Ų12296 Ų9664%0.63951%0.508SS*.Hα-helixtrans-66.3-49.6176.3-72170000111S38 A39 Y44 N45 E46S38-L42 WeakPolarHBondContact O-CG 3.4Å; S38-L42 PolarHBondContact O-N 3.3Å; A39-L42 WeakPolarHBondContact O-CB 3.21Å; A39-L42 PolarHBondContact O-N 3.07Å; L42-Y44 VanDerWaalsContact C-N 3.3Å; L42-Y44 PolarHBondContact O-N 3.14Å; L42-N45 PolarHBondContact O-N 3.41Å; L42-N45 VanDerWaalsContact O-N 3.1Å; L42-E46 PolarHBondContact O-N 3.03Å
43T98.6Very high98.6Very high90 Ų9096.9 Ų96.955%0.55251%0.512SS*.Hα-helixtrans-59.6-39.1176.6-52.70000112.1A39 E46 A47A39-T43 PolarHBondContact O-N 3.02Å; A39-T43 PolarHBondContact O-OG1 3.4Å; T43-E46 PolarHBondContact O-N 3.48Å; T43-A47 WeakPolarHBondContact O-CB 3.42Å; T43-A47 PolarHBondContact O-N 3.46Å
44Y98.8Very high98.6Very high155 Ų15596.4 Ų96.461%0.60851%0.509SS*.Hα-helixtrans-65.2-41.3174.2179.5-107.3000112.6A40 L42 A47 L48A40-Y44 WeakPolarHBondContact O-CB 3.25Å; A40-Y44 PolarHBondContact O-N 2.89Å; L42-Y44 VanDerWaalsContact C-N 3.3Å; L42-Y44 PolarHBondContact O-N 3.14Å; Y44-A47 PolarHBondContact O-N 3.33Å; Y44-L48 HydrophobicContact CD1-CD1 4.07Å; Y44-L48 HydrophobicContact CE1-CD1 3.49Å; Y44-L48 VanDerWaalsContact CE1-CD1 3.49Å; Y44-L48 HydrophobicContact CE1-CG 4.14Å; Y44-L48 HydrophobicContact CE2-CG 4.4Å; Y44-L48 WeakPolarHBondContact O-CG 3.41Å; Y44-L48 PolarHBondContact O-N 2.97Å
45N98.6Very high98.6Very high68 Ų6893.2 Ų93.236%0.36450%0.5SS..Hα-helixtrans-66.9-36.3176.4-175.3-109.6000112.7K41 L42 L48 K49K41-N45 WeakPolarHBondContact O-CB 3.36Å; K41-N45 PolarHBondContact O-N 3.25Å; L42-N45 PolarHBondContact O-N 3.41Å; L42-N45 VanDerWaalsContact O-N 3.1Å; N45-L48 PolarHBondContact O-N 2.84Å; N45-K49 WeakPolarHBondContact O-CG 3.4Å; N45-K49 PolarHBondContact O-N 3.3Å; N45-K49 VanDerWaalsContact O-N 3.09Å; N45-K49 VanDerWaalsContact OD1-CE 3.3Å; N45-K49 WeakPolarHBondContact OD1-CE 3.3Å; N45-K49 PolarHBondContact OD1-NZ 2.81Å
46E98.7Very high98.6Very high133 Ų13395.5 Ų95.562%0.62150%0.502SS*.Hα-helixtrans-63.6-46.2172.8-176.6179.1-174.800111.5L42 T43 L48 K49 N50L42-E46 PolarHBondContact O-N 3.03Å; T43-E46 PolarHBondContact O-N 3.48Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-L48 PolarHBondContact O-N 2.88Å; E46-K49 PolarHBondContact O-N 3.37Å; E46-N50 WeakPolarHBondContact O-CB 3.48Å; E46-N50 PolarHBondContact O-N 2.92Å
47A98.7Very high98.6Very high49 Ų4993.1 Ų93.141%0.40550%0.495SS..Hα-helixtrans-60.2-41175.500000112.4T43 Y44 N50 L51T43-A47 WeakPolarHBondContact O-CB 3.42Å; T43-A47 PolarHBondContact O-N 3.46Å; Y44-A47 PolarHBondContact O-N 3.33Å; A47-N50 PolarHBondContact O-N 2.92Å; A47-L51 WeakPolarHBondContact O-CG 3.43Å; A47-L51 PolarHBondContact O-N 3.32Å
48L98.7Very high98.6Very high74 Ų7492.5 Ų92.539%0.38749%0.488SS..Hα-helixtrans-62.3-44.7174.6-73.7178.5000112.5Y44 N45 E46 N50 L51 E52Y44-L48 HydrophobicContact CD1-CD1 4.07Å; Y44-L48 HydrophobicContact CE1-CD1 3.49Å; Y44-L48 VanDerWaalsContact CE1-CD1 3.49Å; Y44-L48 HydrophobicContact CE1-CG 4.14Å; Y44-L48 HydrophobicContact CE2-CG 4.4Å; Y44-L48 WeakPolarHBondContact O-CG 3.41Å; Y44-L48 PolarHBondContact O-N 2.97Å; N45-L48 PolarHBondContact O-N 2.84Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-L48 PolarHBondContact O-N 2.88Å; L48-N50 VanDerWaalsContact C-N 3.3Å; L48-N50 PolarHBondContact O-N 2.82Å; L48-L51 PolarHBondContact O-N 3.42Å; L48-E52 WeakPolarHBondContact O-CB 3.29Å; L48-E52 PolarHBondContact O-N 3.17Å
49K98.6Very high98.6Very high119 Ų11995.5 Ų95.552%0.51750%0.495SS..Hα-helixtrans-63-36.3175.8-76166.2172159.40112.6N45 E46 E52 Q53N45-K49 WeakPolarHBondContact O-CG 3.4Å; N45-K49 PolarHBondContact O-N 3.3Å; N45-K49 VanDerWaalsContact O-N 3.09Å; N45-K49 VanDerWaalsContact OD1-CE 3.3Å; N45-K49 WeakPolarHBondContact OD1-CE 3.3Å; N45-K49 PolarHBondContact OD1-NZ 2.81Å; E46-K49 PolarHBondContact O-N 3.37Å; K49-E52 PolarHBondContact O-N 2.87Å; K49-Q53 WeakPolarHBondContact O-CB 3.48Å; K49-Q53 PolarHBondContact O-N 3.38Å
50N98.7Very high98.6Very high89 Ų8999.2 Ų99.248%0.47650%0.498SS..Hα-helixtrans-65.9-44.3176-167.2-20.1000110.8E46 A47 L48 E52 Q53 I54E46-N50 WeakPolarHBondContact O-CB 3.48Å; E46-N50 PolarHBondContact O-N 2.92Å; A47-N50 PolarHBondContact O-N 2.92Å; L48-N50 VanDerWaalsContact C-N 3.3Å; L48-N50 PolarHBondContact O-N 2.82Å; N50-E52 PolarHBondContact O-N 3.06Å; N50-Q53 PolarHBondContact O-N 3.21Å; N50-I54 WeakPolarHBondContact O-CB 3.34Å; N50-I54 VanDerWaalsContact O-CG1 3.28Å; N50-I54 WeakPolarHBondContact O-CG1 3.47Å; N50-I54 PolarHBondContact O-N 3.45Å; N50-I54 VanDerWaalsContact OD1-CD1 3.22Å; N50-I54 WeakPolarHBondContact OD1-CD1 3.47Å
51L98.7Very high98.5Very high115 Ų115102.4 Ų102.460%0.60250%0.503SS*.Hα-helixtrans-62.9-40.9173.7-68.5174.4000112.8A47 L48 S55A47-L51 WeakPolarHBondContact O-CG 3.43Å; A47-L51 PolarHBondContact O-N 3.32Å; L48-L51 PolarHBondContact O-N 3.42Å; L51-S55 WeakPolarHBondContact O-CB 3.47Å; L51-S55 PolarHBondContact O-N 3.39Å
52E98.4Very high98.4Very high117 Ų117103 Ų10355%0.54750%0.501SS..Hα-helixtrans-58.3-52.9173.3-177171.6-148.300110.5L48 K49 N50 I54 S55 E56L48-E52 WeakPolarHBondContact O-CB 3.29Å; L48-E52 PolarHBondContact O-N 3.17Å; K49-E52 PolarHBondContact O-N 2.87Å; N50-E52 PolarHBondContact O-N 3.06Å; E52-I54 PolarHBondContact O-N 2.97Å; E52-S55 WeakPolarHBondContact O-CB 3.42Å; E52-S55 PolarHBondContact O-N 3.07Å; E52-S55 VanDerWaalsContact O-N 3.1Å; E52-S55 PolarHBondContact O-OG 3.03Å; E52-E56 PolarHBondContact O-N 3.16Å
53Q98.6Very high98.3Very high115 Ų115103.2 Ų103.254%0.53750%0.499SS..Hα-helixtrans-57.8-48177.4-176.6-179.8-1100112.8K49 N50 S55 E56 D57K49-Q53 WeakPolarHBondContact O-CB 3.48Å; K49-Q53 PolarHBondContact O-N 3.38Å; N50-Q53 PolarHBondContact O-N 3.21Å; Q53-S55 VanDerWaalsContact C-N 3.25Å; Q53-S55 PolarHBondContact O-N 2.78Å; Q53-E56 PolarHBondContact O-N 3.44Å; Q53-D57 WeakPolarHBondContact O-CB 3.3Å; Q53-D57 PolarHBondContact O-N 3.48Å
54I98.6Very high98.2Very high82 Ų82104.6 Ų104.642%0.42150%0.499SS..Hα-helixtrans-58.7-40.5176.6-70.3166.3000110.5N50 E52 D57 I58N50-I54 WeakPolarHBondContact O-CB 3.34Å; N50-I54 VanDerWaalsContact O-CG1 3.28Å; N50-I54 WeakPolarHBondContact O-CG1 3.47Å; N50-I54 PolarHBondContact O-N 3.45Å; N50-I54 VanDerWaalsContact OD1-CD1 3.22Å; N50-I54 WeakPolarHBondContact OD1-CD1 3.47Å; E52-I54 PolarHBondContact O-N 2.97Å; I54-D57 PolarHBondContact O-N 3.42Å; I54-I58 HydrophobicContact CG2-CD1 3.77Å; I54-I58 HydrophobicContact CG2-CG1 4.46Å; I54-I58 WeakPolarHBondContact O-CB 3.22Å; I54-I58 VanDerWaalsContact O-CG1 3.25Å; I54-I58 WeakPolarHBondContact O-CG1 3.28Å; I54-I58 PolarHBondContact O-N 3.45Å
55S98.6Very high98Very high54 Ų54104.8 Ų104.838%0.37850%0.499SS..Hα-helixtrans-64.7-45.1177.580.40000111.8L51 E52 Q53 D57 I58 H59L51-S55 WeakPolarHBondContact O-CB 3.47Å; L51-S55 PolarHBondContact O-N 3.39Å; E52-S55 WeakPolarHBondContact O-CB 3.42Å; E52-S55 PolarHBondContact O-N 3.07Å; E52-S55 VanDerWaalsContact O-N 3.1Å; E52-S55 PolarHBondContact O-OG 3.03Å; Q53-S55 VanDerWaalsContact C-N 3.25Å; Q53-S55 PolarHBondContact O-N 2.78Å; S55-D57 PolarHBondContact O-N 3Å; S55-I58 PolarHBondContact O-N 2.89Å; S55-H59 PolarHBondContact O-CD2 3.33Å; S55-H59 PolarHBondContact O-N 3.48Å
56E98.6Very high97.7Very high104 Ų104106.4 Ų106.449%0.48651%0.507SS..Hα-helixtrans-61.5-43.1176.4-70.2-165.7159.700112E52 Q53 H59 R60E52-E56 PolarHBondContact O-N 3.16Å; Q53-E56 PolarHBondContact O-N 3.44Å; E56-H59 PolarHBondContact O-N 3.32Å; E56-R60 VanDerWaalsContact O-CB 3.29Å; E56-R60 WeakPolarHBondContact O-CB 3.46Å; E56-R60 PolarHBondContact O-N 3.21Å
57D98.6Very high97.4Very high74 Ų74103.6 Ų103.640%0.39650%0.496SS..Hα-helixtrans-67.1-39.6179.6-77.2-24.9000111.9Q53 I54 S55 R60 Q61Q53-D57 WeakPolarHBondContact O-CB 3.3Å; Q53-D57 PolarHBondContact O-N 3.48Å; I54-D57 PolarHBondContact O-N 3.42Å; S55-D57 PolarHBondContact O-N 3Å; D57-R60 PolarHBondContact O-N 2.95Å; D57-R60 IonicContact OD1-NE 3.07Å; D57-Q61 VanDerWaalsContact O-CB 3.3Å; D57-Q61 WeakPolarHBondContact O-CB 3.44Å; D57-Q61 PolarHBondContact O-N 3.39Å
58I98.3Very high97.2Very high65 Ų65107.1 Ų107.133%0.33351%0.508SS..Hα-helixtrans-62.6-42.9171.9-70.3167.8000110.8I54 S55 R62I54-I58 HydrophobicContact CG2-CD1 3.77Å; I54-I58 HydrophobicContact CG2-CG1 4.46Å; I54-I58 WeakPolarHBondContact O-CB 3.22Å; I54-I58 VanDerWaalsContact O-CG1 3.25Å; I54-I58 WeakPolarHBondContact O-CG1 3.28Å; I54-I58 PolarHBondContact O-N 3.45Å; S55-I58 PolarHBondContact O-N 2.89Å; I58-R62 VanDerWaalsContact CG2-NE 3.32Å; I58-R62 WeakPolarHBondContact O-CB 3.45Å; I58-R62 WeakPolarHBondContact O-CG 3.41Å; I58-R62 PolarHBondContact O-N 3.25Å
59H98.2Very high96.8Very high125 Ų125107.2 Ų107.258%0.57951%0.508SS*.Hα-helixtrans-63.9-44.4176.2-80.4-66.8000111.8S55 E56 R62 Q63S55-H59 PolarHBondContact O-CD2 3.33Å; S55-H59 PolarHBondContact O-N 3.48Å; E56-H59 PolarHBondContact O-N 3.32Å; H59-R62 PolarHBondContact O-N 3.15Å; H59-Q63 WeakPolarHBondContact O-CB 3.45Å; H59-Q63 PolarHBondContact O-N 3.26Å
60R98.3Very high96.4Very high130 Ų130106.2 Ų106.249%0.49151%0.508SS..Hα-helixtrans-60.3-46.5176.1-168.7-170.2-54.2-84.9-3.7111.5E56 D57 Q63 Q64E56-R60 VanDerWaalsContact O-CB 3.29Å; E56-R60 WeakPolarHBondContact O-CB 3.46Å; E56-R60 PolarHBondContact O-N 3.21Å; D57-R60 PolarHBondContact O-N 2.95Å; D57-R60 IonicContact OD1-NE 3.07Å; R60-Q63 PolarHBondContact O-N 3.34Å; R60-Q64 WeakPolarHBondContact O-CB 3.13Å; R60-Q64 VanDerWaalsContact O-CG 3.31Å; R60-Q64 WeakPolarHBondContact O-CG 3.38Å; R60-Q64 PolarHBondContact O-N 2.97Å
61Q97.9Very high96Very high127 Ų127109.1 Ų109.159%0.59351%0.514SS*.Hα-helixtrans-63.2-42.7177.3-171.3-170.71700111.6D57 Q64 R65D57-Q61 VanDerWaalsContact O-CB 3.3Å; D57-Q61 WeakPolarHBondContact O-CB 3.44Å; D57-Q61 PolarHBondContact O-N 3.39Å; Q61-Q64 PolarHBondContact O-N 3.07Å; Q61-R65 WeakPolarHBondContact O-CB 3.48Å; Q61-R65 PolarHBondContact O-N 3.37Å
62R96.9Very high95.5Very high157 Ų157108.2 Ų108.259%0.59251%0.507SS*.Hα-helixtrans-63-41.2175.7-73.6171.3-175.2-165.14.7111.7I58 H59 R65 N66I58-R62 VanDerWaalsContact CG2-NE 3.32Å; I58-R62 WeakPolarHBondContact O-CB 3.45Å; I58-R62 WeakPolarHBondContact O-CG 3.41Å; I58-R62 PolarHBondContact O-N 3.25Å; H59-R62 PolarHBondContact O-N 3.15Å; R62-R65 PolarHBondContact O-N 2.95Å; R62-N66 WeakPolarHBondContact O-CB 3.47Å; R62-N66 PolarHBondContact O-N 3.21Å
63Q95.8Very high95Very high126 Ų126105 Ų10559%0.58950%0.5SS*.Hα-helixtrans-65.5-45176-169.5-179.414.300111.5H59 R60 R65 N66 N67H59-Q63 WeakPolarHBondContact O-CB 3.45Å; H59-Q63 PolarHBondContact O-N 3.26Å; R60-Q63 PolarHBondContact O-N 3.34Å; Q63-R65 PolarHBondContact O-N 3.27Å; Q63-N66 PolarHBondContact O-N 3.18Å; Q63-N67 WeakPolarHBondContact O-CB 3.46Å; Q63-N67 VanDerWaalsContact O-CG 3.27Å; Q63-N67 PolarHBondContact O-N 3.18Å; Q63-N67 PolarHBondContact O-ND2 3.39Å
64Q95.1Very high94.4Very high119 Ų119104.1 Ų104.156%0.55650%0.497SS*.Hα-helixtrans-59.3-45.6174.2-74.3171.6-13.400112R60 Q61 N67 L68R60-Q64 WeakPolarHBondContact O-CB 3.13Å; R60-Q64 VanDerWaalsContact O-CG 3.31Å; R60-Q64 WeakPolarHBondContact O-CG 3.38Å; R60-Q64 PolarHBondContact O-N 2.97Å; Q61-Q64 PolarHBondContact O-N 3.07Å; Q64-N67 PolarHBondContact O-N 3.41Å; Q64-L68 WeakPolarHBondContact O-CB 3.49Å; Q64-L68 PolarHBondContact O-N 2.96Å
65R95.2Very high94Very high159 Ų159105.3 Ų105.360%0.650%0.504SS*.Hα-helixtrans-63.2-41.2176.3-170.3-176.271.293.80.5112.1Q61 R62 Q63 L68 L69Q61-R65 WeakPolarHBondContact O-CB 3.48Å; Q61-R65 PolarHBondContact O-N 3.37Å; R62-R65 PolarHBondContact O-N 2.95Å; Q63-R65 PolarHBondContact O-N 3.27Å; R65-L68 PolarHBondContact O-N 3.41Å; R65-L69 HydrophobicContact CG-CD1 4.25Å; R65-L69 WeakPolarHBondContact O-CG 3.37Å; R65-L69 PolarHBondContact O-N 3.09Å
66N93.3Very high93.4Very high102 Ų102110.7 Ų110.755%0.54552%0.515SS..Hα-helixtrans-66.8-42.2177.4-177.6-102.2000111.8R62 Q63 L68 L69 N70R62-N66 WeakPolarHBondContact O-CB 3.47Å; R62-N66 PolarHBondContact O-N 3.21Å; Q63-N66 PolarHBondContact O-N 3.18Å; N66-L68 VanDerWaalsContact C-N 3.35Å; N66-L68 PolarHBondContact O-N 2.95Å; N66-L69 PolarHBondContact O-N 3.18Å; N66-N70 WeakPolarHBondContact O-CB 3.45Å; N66-N70 PolarHBondContact O-N 3.37Å
67N92.3Very high92.6Very high74 Ų74112.4 Ų112.440%0.39652%0.524SS..Hα-helixtrans-59.1-45.1171.9-72.4-29.3000111.4Q63 Q64 N70 Y71Q63-N67 WeakPolarHBondContact O-CB 3.46Å; Q63-N67 VanDerWaalsContact O-CG 3.27Å; Q63-N67 PolarHBondContact O-N 3.18Å; Q63-N67 PolarHBondContact O-ND2 3.39Å; Q64-N67 PolarHBondContact O-N 3.41Å; N67-N70 WeakPolarHBondContact O-CB 3.26Å; N67-N70 PolarHBondContact O-N 3.46Å; N67-Y71 WeakPolarHBondContact O-CD2 3.44Å; N67-Y71 PolarHBondContact O-N 3.25Å
68L93.8Very high91.6Very high122 Ų122112.9 Ų112.964%0.63953%0.529SS*.Hα-helixtrans-62.4-44.8178.7-174.165.2000112.1Q64 R65 N66 N70 Y71 E72Q64-L68 WeakPolarHBondContact O-CB 3.49Å; Q64-L68 PolarHBondContact O-N 2.96Å; R65-L68 PolarHBondContact O-N 3.41Å; N66-L68 VanDerWaalsContact C-N 3.35Å; N66-L68 PolarHBondContact O-N 2.95Å; L68-N70 VanDerWaalsContact C-N 3.29Å; L68-N70 PolarHBondContact O-N 3.33Å; L68-Y71 PolarHBondContact O-N 3.22Å; L68-E72 PolarHBondContact O-N 3.22Å
69L90.7Very high90.6Very high76 Ų76114.5 Ų114.540%0.39854%0.538SS..Hα-helixtrans-63.1-34.3174.7-73168000112.5R65 N66 E72 A73R65-L69 HydrophobicContact CG-CD1 4.25Å; R65-L69 WeakPolarHBondContact O-CG 3.37Å; R65-L69 PolarHBondContact O-N 3.09Å; N66-L69 PolarHBondContact O-N 3.18Å; L69-E72 PolarHBondContact O-N 3.19Å; L69-A73 VanDerWaalsContact O-CB 3.31Å; L69-A73 WeakPolarHBondContact O-CB 3.37Å; L69-A73 PolarHBondContact O-N 3.49Å
70N90.4Very high89.5Confident98 Ų98110.9 Ų110.952%0.52453%0.53SS..Hα-helixtrans-67.7-41174.8-168.520.8000111.4N66 N67 L68 A73 M74N66-N70 WeakPolarHBondContact O-CB 3.45Å; N66-N70 PolarHBondContact O-N 3.37Å; N67-N70 WeakPolarHBondContact O-CB 3.26Å; N67-N70 PolarHBondContact O-N 3.46Å; L68-N70 VanDerWaalsContact C-N 3.29Å; L68-N70 PolarHBondContact O-N 3.33Å; N70-A73 PolarHBondContact O-N 3.18Å; N70-M74 WeakPolarHBondContact O-CB 3.29Å; N70-M74 PolarHBondContact O-N 3.28Å
71Y89.3Confident88.4Confident151 Ų151108.8 Ų108.859%0.59253%0.531SS*.Hα-helixtrans-63.3-43171.3-79.8-67.5000112.3N67 L68 M74 L75N67-Y71 WeakPolarHBondContact O-CD2 3.44Å; N67-Y71 PolarHBondContact O-N 3.25Å; L68-Y71 PolarHBondContact O-N 3.22Å; Y71-M74 PolarHBondContact O-N 3.05Å; Y71-L75 WeakPolarHBondContact O-CD1 3.29Å; Y71-L75 PolarHBondContact O-N 3.19Å
72E88.4Confident87.3Confident96 Ų96107.7 Ų107.745%0.44953%0.53SS..Hα-helixtrans-62.7-45.5176.4-167.3-169.5156.300111.4L68 L69 M74 L75 R76L68-E72 PolarHBondContact O-N 3.22Å; L69-E72 PolarHBondContact O-N 3.19Å; E72-M74 VanDerWaalsContact C-N 3.3Å; E72-M74 PolarHBondContact O-N 3.02Å; E72-L75 PolarHBondContact O-N 3.29Å; E72-R76 WeakPolarHBondContact O-CG 3.46Å; E72-R76 PolarHBondContact O-N 3.36Å; E72-R76 IonicContact OE1-NH1 3.48Å; E72-R76 PolarHBondContact OE1-NH1 3.45Å
73A88.4Confident86.1Confident48 Ų48105 Ų10540%0.39753%0.531SS..Hα-helixtrans-60.5-39.1176.300000112.3L69 N70 R76 Q77L69-A73 VanDerWaalsContact O-CB 3.31Å; L69-A73 WeakPolarHBondContact O-CB 3.37Å; L69-A73 PolarHBondContact O-N 3.49Å; N70-A73 PolarHBondContact O-N 3.18Å; A73-R76 PolarHBondContact O-N 3.49Å; A73-Q77 WeakPolarHBondContact O-CG 3.4Å; A73-Q77 PolarHBondContact O-N 2.89Å
74M86.5Confident85Confident98 Ų98105.2 Ų105.248%0.48354%0.535SS..Hα-helixtrans-63.4-44.8174-171.3-170.9-58.300111.8N70 Y71 E72 Q77 V78N70-M74 WeakPolarHBondContact O-CB 3.29Å; N70-M74 PolarHBondContact O-N 3.28Å; Y71-M74 PolarHBondContact O-N 3.05Å; E72-M74 VanDerWaalsContact C-N 3.3Å; E72-M74 PolarHBondContact O-N 3.02Å; M74-Q77 PolarHBondContact O-N 3.41Å; M74-V78 PolarHBondContact O-N 3.34Å
75L88.8Confident83.8Confident107 Ų107103.2 Ų103.256%0.5653%0.531SS*.Hα-helixtrans-60.4-46.6175.4-98.267.2000111.6Y71 E72 Q77 V78 D79Y71-L75 WeakPolarHBondContact O-CD1 3.29Å; Y71-L75 PolarHBondContact O-N 3.19Å; E72-L75 PolarHBondContact O-N 3.29Å; L75-Q77 VanDerWaalsContact C-N 3.26Å; L75-Q77 PolarHBondContact O-N 3.28Å; L75-V78 WeakPolarHBondContact O-CB 3.42Å; L75-V78 PolarHBondContact O-N 3.26Å; L75-D79 PolarHBondContact O-N 2.88Å
76R86.5Confident82.2Confident166 Ų16697.8 Ų97.863%0.62652%0.521SS*.Hα-helixtrans-63.3-30.6178.4-64.9-172.495.1105.46.5113.2E72 A73 A80E72-R76 WeakPolarHBondContact O-CG 3.46Å; E72-R76 PolarHBondContact O-N 3.36Å; E72-R76 IonicContact OE1-NH1 3.48Å; E72-R76 PolarHBondContact OE1-NH1 3.45Å; A73-R76 PolarHBondContact O-N 3.49Å; R76-A80 WeakPolarHBondContact O-CB 3.14Å; R76-A80 PolarHBondContact O-N 3.02Å
77Q81.8Confident80.5Confident141 Ų14195 Ų9566%0.65952%0.515SS*.Hα-helixtrans-67.4-38172-76.5-177.4-0.400112A73 M74 L75 A80 V81A73-Q77 WeakPolarHBondContact O-CG 3.4Å; A73-Q77 PolarHBondContact O-N 2.89Å; M74-Q77 PolarHBondContact O-N 3.41Å; L75-Q77 VanDerWaalsContact C-N 3.26Å; L75-Q77 PolarHBondContact O-N 3.28Å; Q77-A80 PolarHBondContact O-N 3.44Å; Q77-V81 WeakPolarHBondContact O-CG2 3.46Å; Q77-V81 PolarHBondContact O-N 3.44Å; Q77-V81 VanDerWaalsContact O-N 3.12Å
78V78.6Confident78.8Confident83 Ų8398 Ų9850%0.50353%0.531SS..Hα-helixtrans-64.6-49.4174.4176.90000110.7M74 L75 A80 V81 D82M74-V78 PolarHBondContact O-N 3.34Å; L75-V78 WeakPolarHBondContact O-CB 3.42Å; L75-V78 PolarHBondContact O-N 3.26Å; V78-A80 VanDerWaalsContact C-N 3.27Å; V78-A80 PolarHBondContact O-N 3.33Å; V78-V81 PolarHBondContact O-N 2.92Å; V78-V81 VanDerWaalsContact O-N 3.07Å; V78-D82 PolarHBondContact O-N 3.29Å
79D77.4Confident76.7Confident99 Ų9999.4 Ų99.453%0.52953%0.534SS..Hα-helixtrans-58.5-38178.2-66.3-29.1000112.4L75 T83L75-D79 PolarHBondContact O-N 2.88Å; D79-T83 WeakPolarHBondContact O-CB 3.5Å; D79-T83 PolarHBondContact O-N 3.1Å; D79-T83 PolarHBondContact O-OG1 2.89Å
80A74.8Confident74.8Confident49 Ų49105.6 Ų105.641%0.40555%0.552SS.*Hα-helixtrans-66.8-39.2176.100000112.5R76 Q77 V78 T83 L84R76-A80 WeakPolarHBondContact O-CB 3.14Å; R76-A80 PolarHBondContact O-N 3.02Å; Q77-A80 PolarHBondContact O-N 3.44Å; V78-A80 VanDerWaalsContact C-N 3.27Å; V78-A80 PolarHBondContact O-N 3.33Å; A80-T83 PolarHBondContact O-N 2.97Å; A80-L84 WeakPolarHBondContact O-CG 3.28Å; A80-L84 PolarHBondContact O-N 2.9Å
81V74.3Confident72.6Confident86 Ų86106 Ų10652%0.52156%0.562SS.*Hα-helixtrans-68.7-41.2176.9170.40000111.4Q77 V78 T83 L84 T85Q77-V81 WeakPolarHBondContact O-CG2 3.46Å; Q77-V81 PolarHBondContact O-N 3.44Å; Q77-V81 VanDerWaalsContact O-N 3.12Å; V78-V81 PolarHBondContact O-N 2.92Å; V78-V81 VanDerWaalsContact O-N 3.07Å; V81-T83 VanDerWaalsContact C-N 3.32Å; V81-T83 PolarHBondContact O-N 2.77Å; V81-L84 PolarHBondContact O-N 3.1Å; V81-T85 WeakPolarHBondContact O-CB 3.28Å; V81-T85 PolarHBondContact O-N 2.94Å; V81-T85 PolarHBondContact O-OG1 3.46Å
82D74.8Confident70.6Confident104 Ų104103.6 Ų103.656%0.55657%0.568SS**Hα-helixtrans-63.1-39.6174.1-88.8-8.5000111.6V78 T85 A86V78-D82 PolarHBondContact O-N 3.29Å; D82-T85 PolarHBondContact O-N 2.67Å; D82-A86 VanDerWaalsContact O-CB 3.32Å; D82-A86 WeakPolarHBondContact O-CB 3.28Å; D82-A86 PolarHBondContact O-N 2.86Å
83T72.4Confident68Low102 Ų102104.3 Ų104.363%0.62658%0.582SS**Hα-helixtrans-63.7-43176.3-55.50000111.9D79 A80 V81 G87D79-T83 WeakPolarHBondContact O-CB 3.5Å; D79-T83 PolarHBondContact O-N 3.1Å; D79-T83 PolarHBondContact O-OG1 2.89Å; A80-T83 PolarHBondContact O-N 2.97Å; V81-T83 VanDerWaalsContact C-N 3.32Å; V81-T83 PolarHBondContact O-N 2.77Å; T83-G87 PolarHBondContact O-N 2.88Å
84L71.9Confident65.8Low130 Ų130105.4 Ų105.468%0.68160%0.599SS**Hα-helixtrans-66.6-39.1175.8-72.1167.9000112.1A80 V81 G87 L88A80-L84 WeakPolarHBondContact O-CG 3.28Å; A80-L84 PolarHBondContact O-N 2.9Å; V81-L84 PolarHBondContact O-N 3.1Å; L84-G87 PolarHBondContact O-N 2.78Å; L84-L88 PolarHBondContact O-N 2.95Å
85T69.8Low63.5Low77 Ų77107.3 Ų107.347%0.47262%0.616SS.*Hα-helixtrans-67.4-46.9179.2-560000111.2V81 D82 G87 L88 E89V81-T85 WeakPolarHBondContact O-CB 3.28Å; V81-T85 PolarHBondContact O-N 2.94Å; V81-T85 PolarHBondContact O-OG1 3.46Å; D82-T85 PolarHBondContact O-N 2.67Å; T85-G87 VanDerWaalsContact C-N 3.27Å; T85-G87 PolarHBondContact O-N 3.01Å; T85-L88 WeakPolarHBondContact O-CB 3.43Å; T85-L88 PolarHBondContact O-N 3.44Å; T85-L88 VanDerWaalsContact O-N 3.14Å; T85-E89 PolarHBondContact O-N 3.35Å
86A62.3Low61.5Low45 Ų45107.5 Ų107.537%0.37263%0.633SS.*Hα-helixtrans-68.2-24.3175.700000113.5D82D82-A86 VanDerWaalsContact O-CB 3.32Å; D82-A86 WeakPolarHBondContact O-CB 3.28Å; D82-A86 PolarHBondContact O-N 2.86Å
87G57.9Low59.7Low42 Ų42103.2 Ų103.243%0.43363%0.633SS.*Hα-helixtrans-71.1-37.2169.800000112.8T83 L84 T85 R90 S91T83-G87 PolarHBondContact O-N 2.88Å; L84-G87 PolarHBondContact O-N 2.78Å; T85-G87 VanDerWaalsContact C-N 3.27Å; T85-G87 PolarHBondContact O-N 3.01Å; G87-R90 PolarHBondContact O-N 2.9Å; G87-S91 PolarHBondContact O-N 3.09Å
88L55.9Low58Low139 Ų139104 Ų10473%0.72864%0.642SS**Hα-helixtrans-67.1-41.4179.9-150.575.7000112L84 T85 R90 S91L84-L88 PolarHBondContact O-N 2.95Å; T85-L88 WeakPolarHBondContact O-CB 3.43Å; T85-L88 PolarHBondContact O-N 3.44Å; T85-L88 VanDerWaalsContact O-N 3.14Å; L88-R90 VanDerWaalsContact C-N 3.34Å; L88-R90 PolarHBondContact O-N 3.23Å; L88-S91 PolarHBondContact O-N 3.41Å
89E50.4Low56.5Low151 Ų151108.3 Ų108.371%0.70665%0.649SS**Hα-helixtrans-67.1-33.4177.9-64.4-160.1146.600112.9T85 S91 S92T85-E89 PolarHBondContact O-N 3.35Å; E89-S91 VanDerWaalsContact C-N 3.26Å; E89-S91 PolarHBondContact O-N 3.1Å; E89-S92 PolarHBondContact O-OG 3.02Å
90R49.8Very low55Low206 Ų206112.1 Ų112.178%0.77766%0.663SS**Hα-helixtrans-73.8-14.1175.4-113.8176.9-77.3-155.8-4.2113.9G87 L88 S92G87-R90 PolarHBondContact O-N 2.9Å; L88-R90 VanDerWaalsContact C-N 3.34Å; L88-R90 PolarHBondContact O-N 3.23Å; R90-S92 VanDerWaalsContact C-N 3.26Å; R90-S92 PolarHBondContact O-N 3.48Å
91S45.8Very low53.5Low105 Ų105117 Ų11773%0.73468%0.683SS**THydrogen-bonded Turntrans-88.921.3177.5-153.40000113.5G87 L88 E89G87-S91 PolarHBondContact O-N 3.09Å; L88-S91 PolarHBondContact O-N 3.41Å; E89-S91 VanDerWaalsContact C-N 3.26Å; E89-S91 PolarHBondContact O-N 3.1Å
92S46.4Very low52.2Low102 Ų102120 Ų12071%0.71370%0.695SS**THydrogen-bonded Turntrans-106-6.1-175.7660000115.4E89 R90E89-S92 PolarHBondContact O-OG 3.02Å; R90-S92 VanDerWaalsContact C-N 3.26Å; R90-S92 PolarHBondContact O-N 3.48Å
93C34.3Very low50.8Low110 Ų110119.9 Ų119.974%0.74369%0.691SS**SBendtrans-131107.5175.967.60000114.8
94G42Very low49.6Very low72 Ų72118.5 Ų118.574%0.74269%0.69SS**  trans62.1105.4146.600000119.2
95T37.3Very low48.3Very low137 Ų137120.3 Ų120.384%0.8469%0.693SS**  162.896.898.2-58.30000109.1A97T95-A97 PolarHBondContact O-N 3.39Å
96A46.5Very low47.2Very low111 Ų111119.4 Ų119.492%0.91769%0.692SS**  trans-84.989.2175.300000111.1
97A49.4Very low46.4Very low76 Ų76119.3 Ų119.363%0.62869%0.692SS**SBendtrans-173.3145.6156.300000110.8T95T95-A97 PolarHBondContact O-N 3.39Å
98N46.2Very low46Very low158 Ų158120.6 Ų120.685%0.84570%0.698SS**SBendtrans59.660.3168.3-67.3-4.3000118.2
99R46.9Very low45.7Very low174 Ų174121.9 Ų121.966%0.65770%0.701SS**  trans-126-20.8158.3-166.7169.2172.3144.61.1115.3D101 E103R99-D101 PolarHBondContact O-N 3.22Å; R99-E103 IonicContact CZ-OE1 3.18Å; R99-E103 IonicContact NE-OE1 2.85Å; R99-E103 PolarHBondContact NE-OE1 3.12Å; R99-E103 IonicContact NE-OE2 3.23Å; R99-E103 PolarHBondContact NE-OE2 3.03Å; R99-E103 IonicContact NH2-OE1 2.68Å; R99-E103 PolarHBondContact NH2-OE1 3.29Å
100Q45.7Very low45.6Very low178 Ų178121.2 Ų121.283%0.83270%0.698SS**Hα-helixtrans-72.4-24.1-171.2-71.5179.3-43.800115.6
101D43.6Very low45.4Very low152 Ų152117.2 Ų117.281%0.81369%0.688SS**Hα-helixtrans-89.2-10.7-176.2-70.2-33.4000115.3R99R99-D101 PolarHBondContact O-N 3.22Å
102L46.6Very low45.3Very low149 Ų149120.3 Ų120.378%0.7869%0.688SS**Hα-helixtrans-100.8-31.4178.3-81.8150000112.5
103E45.7Very low45.2Very low101 Ų101121.1 Ų121.147%0.47268%0.68SS.*Hα-helixtrans-73.4-33.5-177.2-139.4144.7-135.600111.9R99 K105 A106 A107R99-E103 IonicContact CZ-OE1 3.18Å; R99-E103 IonicContact NE-OE1 2.85Å; R99-E103 PolarHBondContact NE-OE1 3.12Å; R99-E103 IonicContact NE-OE2 3.23Å; R99-E103 PolarHBondContact NE-OE2 3.03Å; R99-E103 IonicContact NH2-OE1 2.68Å; R99-E103 PolarHBondContact NH2-OE1 3.29Å; E103-K105 PolarHBondContact O-N 3.21Å; E103-A106 PolarHBondContact O-N 3.15Å; E103-A107 PolarHBondContact O-N 3.27Å
104A47.3Very low45.9Very low73 Ų73120 Ų12060%0.60367%0.67SS**Hα-helixtrans-68.1-15.9178.300000114.8
105K45.4Very low46Very low169 Ų169122.7 Ų122.774%0.73566%0.663SS**Hα-helixtrans-98.1-24.2-179.9-160.7172-178.6-178.40113.5E103E103-K105 PolarHBondContact O-N 3.21Å
106A45.1Very low46.4Very low57 Ų57118.9 Ų118.947%0.47165%0.645SS.*Hα-helixtrans-76.1-44172.500000111.6E103 A108 E109 E110E103-A106 PolarHBondContact O-N 3.15Å; A106-A108 PolarHBondContact O-N 3.07Å; A106-A108 VanDerWaalsContact O-N 3.14Å; A106-E109 PolarHBondContact O-N 2.86Å; A106-E109 VanDerWaalsContact O-N 3.15Å; A106-E110 PolarHBondContact O-N 3.3Å
107A47Very low46.5Very low43 Ų43118.8 Ų118.836%0.35563%0.626SS.*Hα-helixtrans-57-32.1-179.900000113.7E103 Q111E103-A107 PolarHBondContact O-N 3.27Å; A107-Q111 WeakPolarHBondContact O-CG 3.46Å; A107-Q111 PolarHBondContact O-N 3.01Å; A107-Q111 VanDerWaalsContact O-N 3.15Å
108A49.3Very low46.4Very low69 Ų69117.5 Ų117.557%0.5762%0.616SS**Hα-helixtrans-76.8-20.1-178.300000115A106A106-A108 PolarHBondContact O-N 3.07Å; A106-A108 VanDerWaalsContact O-N 3.14Å
109E49.4Very low46.4Very low166 Ų166117.1 Ų117.178%0.77661%0.608SS**Hα-helixtrans-92.4-32.2170.9-78.8-171.8148.700111.8A106 K112A106-E109 PolarHBondContact O-N 2.86Å; A106-E109 VanDerWaalsContact O-N 3.15Å; E109-K112 PolarHBondContact O-N 3.01Å
110E48.9Very low46.5Very low138 Ų138116.2 Ų116.265%0.64561%0.612SS**Hα-helixtrans-73.2-39.3-178.8-159.3166-150.900112.6A106 K112 H113 V114A106-E110 PolarHBondContact O-N 3.3Å; E110-K112 PolarHBondContact O-N 3.01Å; E110-H113 PolarHBondContact O-N 3.06Å; E110-H113 VanDerWaalsContact O-N 3.13Å; E110-V114 PolarHBondContact O-N 3.32Å
111Q44.9Very low46.6Very low121 Ų121114.6 Ų114.657%0.56560%0.604SS**Hα-helixtrans-60.5-29.1175.6-77.7-178.4-77.800113.2A107 H113 E115A107-Q111 WeakPolarHBondContact O-CG 3.46Å; A107-Q111 PolarHBondContact O-N 3.01Å; A107-Q111 VanDerWaalsContact O-N 3.15Å; Q111-H113 VanDerWaalsContact C-N 3.31Å; Q111-H113 PolarHBondContact O-N 3.06Å; Q111-E115 WeakPolarHBondContact O-CG 3.37Å; Q111-E115 PolarHBondContact O-N 3.31Å; Q111-E115 VanDerWaalsContact O-N 3.14Å
112K44.2Very low46.8Very low170 Ų170114.2 Ų114.274%0.73960%0.597SS**Hα-helixtrans-79.6-11.9-179.4-146.9-175.1-178.1-172.50114.1E109 E110E109-K112 PolarHBondContact O-N 3.01Å; E110-K112 PolarHBondContact O-N 3.01Å
113H43.2Very low46.8Very low119 Ų119114 Ų11455%0.55159%0.592SS**Hα-helixtrans-95.2-36.7173.2-147.4-73.4000111.1E110 Q111 A116 E117E110-H113 PolarHBondContact O-N 3.06Å; E110-H113 VanDerWaalsContact O-N 3.13Å; Q111-H113 VanDerWaalsContact C-N 3.31Å; Q111-H113 PolarHBondContact O-N 3.06Å; H113-A116 PolarHBondContact O-N 3.34Å; H113-E117 IonicContact CE1-OE1 3.72Å; H113-E117 PolarHBondContact CE1-OE1 3.1Å; H113-E117 IonicContact ND1-OE1 2.82Å; H113-E117 PolarHBondContact ND1-OE1 3.17Å; H113-E117 PolarHBondContact O-N 2.97Å
114V49.8Very low46.9Very low88 Ų88116.2 Ų116.253%0.53360%0.603SS.*Hα-helixtrans-73.9-36.3-179.9179.20000112.4E110 A116 E117 A118E110-V114 PolarHBondContact O-N 3.32Å; V114-A116 VanDerWaalsContact C-N 3.27Å; V114-A116 PolarHBondContact O-N 3.02Å; V114-E117 PolarHBondContact O-N 3.03Å; V114-A118 VanDerWaalsContact O-CB 3.31Å; V114-A118 WeakPolarHBondContact O-CB 3.36Å; V114-A118 PolarHBondContact O-N 3.2Å
115E43.5Very low46.8Very low128 Ų128123.3 Ų123.360%0.59862%0.616SS**Hα-helixtrans-66-29.6173.7-74.2178.5163.200112.4Q111 E119Q111-E115 WeakPolarHBondContact O-CG 3.37Å; Q111-E115 PolarHBondContact O-N 3.31Å; Q111-E115 VanDerWaalsContact O-N 3.14Å; E115-E119 PolarHBondContact O-N 3.47Å
116A46.7Very low47.1Very low56 Ų56122.2 Ų122.246%0.46362%0.617SS.*Hα-helixtrans-75.6-37.3177.700000113.1H113 V114H113-A116 PolarHBondContact O-N 3.34Å; V114-A116 VanDerWaalsContact C-N 3.27Å; V114-A116 PolarHBondContact O-N 3.02Å
117E46.8Very low47.2Very low109 Ų109127.5 Ų127.551%0.50963%0.625SS.*Hα-helixtrans-76.3-31.2176.8-70.7175.1-173.400112H113 V114 E120 E121H113-E117 IonicContact CE1-OE1 3.72Å; H113-E117 PolarHBondContact CE1-OE1 3.1Å; H113-E117 IonicContact ND1-OE1 2.82Å; H113-E117 PolarHBondContact ND1-OE1 3.17Å; H113-E117 PolarHBondContact O-N 2.97Å; V114-E117 PolarHBondContact O-N 3.03Å; E117-E120 PolarHBondContact O-N 2.74Å; E117-E121 PolarHBondContact O-N 3.21Å; E117-E121 VanDerWaalsContact O-N 3.16Å
118A47.6Very low47Very low50 Ų50133 Ų13341%0.41365%0.645SS.*Hα-helixtrans-70-36176.200000113.5V114 E122V114-A118 VanDerWaalsContact O-CB 3.31Å; V114-A118 WeakPolarHBondContact O-CB 3.36Å; V114-A118 PolarHBondContact O-N 3.2Å; A118-E122 PolarHBondContact O-N 3.12Å
119E47.6Very low47.1Very low149 Ų149135.2 Ų135.270%0.69665%0.653SS**Hα-helixtrans-68.7-32.4174.4-74-17416900112.1E115 E123E115-E119 PolarHBondContact O-N 3.47Å; E119-E123 PolarHBondContact O-N 2.96Å
120E48.1Very low47.3Very low156 Ų156135.5 Ų135.573%0.72966%0.655SS**Hα-helixtrans-70.4-39.3173.5-71.6-166.5161.900112.6E117 E124E117-E120 PolarHBondContact O-N 2.74Å; E120-E124 PolarHBondContact O-N 3.29Å
121E48.9Very low47.3Very low144 Ų144139.9 Ų139.967%0.67367%0.666SS**Hα-helixtrans-71.8-36.8177-74.2-163.9155.800113.6E117 E124 Y125E117-E121 PolarHBondContact O-N 3.21Å; E117-E121 VanDerWaalsContact O-N 3.16Å; E121-E124 PolarHBondContact O-N 3.44Å; E121-Y125 PolarHBondContact O-N 2.8Å
122E47.3Very low47.4Very low143 Ų143142.8 Ų142.867%0.66868%0.684SS**Hα-helixtrans-69.5-35.4176-76.3-156.915400112.6A118 E124 Y125 L126A118-E122 PolarHBondContact O-N 3.12Å; E122-E124 VanDerWaalsContact C-N 3.35Å; E122-Y125 PolarHBondContact O-N 2.95Å; E122-L126 WeakPolarHBondContact O-CB 3.45Å; E122-L126 PolarHBondContact O-N 3.48Å
123E47.2Very low47.3Very low144 Ų144136.6 Ų136.667%0.67367%0.668SS**Hα-helixtrans-66.9-33171.5-79.1-152.3172.200112.6E119 R127E119-E123 PolarHBondContact O-N 2.96Å; E123-R127 WeakPolarHBondContact O-CB 3.38Å; E123-R127 PolarHBondContact O-N 3.19Å
124E46.1Very low47.5Very low149 Ų149139.8 Ų139.870%0.69668%0.683SS**Hα-helixtrans-69.2-39.7173.9-172.6162.7-159.200111.8E120 E121 E122 R127E120-E124 PolarHBondContact O-N 3.29Å; E121-E124 PolarHBondContact O-N 3.44Å; E122-E124 VanDerWaalsContact C-N 3.35Å; E124-R127 PolarHBondContact O-N 3.42Å
125Y46.3Very low47.2Very low221 Ų221143.8 Ų143.887%0.86770%0.696SS**Hα-helixtrans-73.8-26.1178.8-110.8-92.6000114.7E121 E122E121-Y125 PolarHBondContact O-N 2.8Å; E122-Y125 PolarHBondContact O-N 2.95Å
126L51.3Low47.1Very low146 Ų146145.4 Ų145.476%0.76470%0.703SS**Hα-helixtrans-84.1-11.4172.8-85.1158.1000113.5E122 M128E122-L126 WeakPolarHBondContact O-CB 3.45Å; E122-L126 PolarHBondContact O-N 3.48Å; L126-M128 PolarHBondContact O-N 2.97Å
127R46.6Very low47Very low169 Ų169147.2 Ų147.264%0.63871%0.711SS**  trans-7789.8179.1-164179.5-134.5118.85.3111.6E123 E124E123-R127 WeakPolarHBondContact O-CB 3.38Å; E123-R127 PolarHBondContact O-N 3.19Å; E124-R127 PolarHBondContact O-N 3.42Å
128M43.6Very low47.2Very low158 Ų158146 Ų14678%0.77871%0.713SS**  trans-44.2127163.5-82-68.9-65.800110.5L126 E130L126-M128 PolarHBondContact O-N 2.97Å; M128-E130 PolarHBondContact O-N 2.97Å
129P50.3Low47.3Very low115 Ų115150.6 Ų150.675%0.74773%0.726SS**  trans-59.6102.7-176.8-28.736.1000113R131P129-R131 PolarHBondContact O-N 3.47Å
130E54.5Low47.5Very low172 Ų172149.8 Ų149.880%0.80473%0.725SS**SBendtrans-72.860.7172.9-74.1-166.7119.700111.7M128M128-E130 PolarHBondContact O-N 2.97Å
131R48.9Very low47.5Very low231 Ų231149.2 Ų149.287%0.87273%0.726SS**  trans-168.364.6163.5-104.4152.7-161.6-172.67.6110.8P129 G133P129-R131 PolarHBondContact O-N 3.47Å; R131-G133 PolarHBondContact O-N 3.28Å
132L46.4Very low47.6Very low181 Ų181146.1 Ų146.195%0.94872%0.717SS**  trans-71.269.6150.5-137.281.8000108.7
133G41.9Very low47.5Very low40 Ų40144.8 Ų144.841%0.41272%0.715SS.*  trans-65.5142.3167.100000109.1R131 H135R131-G133 PolarHBondContact O-N 3.28Å; G133-H135 PolarHBondContact O-N 3.47Å
134H48.5Very low47.4Very low186 Ų186145.5 Ų145.586%0.86172%0.716SS**  trans-55.1101.7177.6-89.2-76.9000111.5E136H134-E136 PolarHBondContact O-N 3.49Å
135H43Very low47.3Very low173 Ų173145.4 Ų145.480%0.80172%0.716SS**  trans-84.576.3156.1-62-57.3000107.6G133 C137G133-H135 PolarHBondContact O-N 3.47Å; H135-C137 PolarHBondContact O-N 2.89Å; H135-C137 VanDerWaalsContact O-N 3.07Å
136E42.4Very low47.5Very low162 Ų162138.9 Ų138.976%0.75771%0.707SS**  trans-68.997.3171.7-173.7168.9-139.100108.1H134 P138H134-E136 PolarHBondContact O-N 3.49Å; E136-P138 WeakPolarHBondContact O-CD 3.5Å; E136-P138 VanDerWaalsContact O-N 3.17Å
137C43.1Very low47.5Very low93 Ų93137.5 Ų137.563%0.62871%0.705SS**  trans-68.5103.4178.4-67.10000109.9H135 H139H135-C137 PolarHBondContact O-N 2.89Å; H135-C137 VanDerWaalsContact O-N 3.07Å; C137-H139 PolarHBondContact O-N 3.41Å; C137-H139 VanDerWaalsContact O-N 3.15Å
138P51.7Low47.5Very low84 Ų84136.6 Ų136.655%0.54571%0.712SS.*THydrogen-bonded Turntrans-86.99.6-162.835.6-32.3000113.3E136E136-P138 WeakPolarHBondContact O-CD 3.5Å; E136-P138 VanDerWaalsContact O-N 3.17Å
139H49.1Very low47.4Very low147 Ų147133.8 Ų133.868%0.68170%0.703SS**THydrogen-bonded Turntrans-1133.1-169.7-59-45.6000114.5C137C137-H139 PolarHBondContact O-N 3.41Å; C137-H139 VanDerWaalsContact O-N 3.15Å
140L52Low46.9Very low131 Ų131137.5 Ų137.569%0.68671%0.708SS**SBendtrans-105.7-4.5178.2-71171.1000113.8
141L48.8Very low46.1Very low144 Ų144135.7 Ų135.775%0.75471%0.711SS**SBendtrans-107-22.3178.9-104.267.7000114.1D143L141-D143 PolarHBondContact O-N 3.03Å
142T50.8Low45.6Very low79 Ų79133.5 Ų133.549%0.48571%0.711SS.*Hα-helixtrans-63.2-29.8-178.944.20000113.4F144T142-F144 VanDerWaalsContact C-N 3.32Å; T142-F144 PolarHBondContact O-N 2.86Å
143D44.3Very low45.1Very low116 Ų116133.6 Ų133.662%0.6270%0.704SS**Hα-helixtrans-82.3-13.4-168.3-62.912.4000112.5L141L141-D143 PolarHBondContact O-N 3.03Å
144F45.6Very low44.9Very low159 Ų159140.6 Ų140.670%0.69773%0.731SS**Hα-helixtrans-96.7-21.9177.6-71.1-78.2000113.8T142T142-F144 VanDerWaalsContact C-N 3.32Å; T142-F144 PolarHBondContact O-N 2.86Å
145E44.8Very low44.5Very low147 Ų147136 Ų13669%0.68773%0.725SS**Hα-helixtrans-75.5-33.2-179.9-165.4168.5-159.100112.2V147 L148 T149E145-V147 PolarHBondContact O-N 3.07Å; E145-L148 PolarHBondContact O-N 3.34Å; E145-T149 PolarHBondContact O-OG1 3.35Å; E145-T149 VanDerWaalsContact O-OG1 3.09Å
146A51.1Low44Very low83 Ų83131.5 Ų131.569%0.68673%0.726SS**THydrogen-bonded Turntrans-67.5-12.9179.300000114.9
147V50.4Low43.8Very low118 Ų118126.9 Ų126.972%0.71572%0.722SS**THydrogen-bonded Turntrans-97.8-15.3-179.7-177.30000112.3E145E145-V147 PolarHBondContact O-N 3.07Å
148L46.8Very low43.4Very low149 Ų149131.7 Ų131.778%0.7874%0.737SS**THydrogen-bonded Turntrans-109.5-6.4-175.8-68.1177.5000114.8E145 F150E145-L148 PolarHBondContact O-N 3.34Å; L148-F150 PolarHBondContact O-N 2.88Å
149T41.3Very low42.8Very low99 Ų99136.2 Ų136.261%0.60775%0.751SS**  trans-92.394.4172.424.90000112.2E145E145-T149 PolarHBondContact O-OG1 3.35Å; E145-T149 VanDerWaalsContact O-OG1 3.09Å
150F39.2Very low42.3Very low193 Ų193138.9 Ų138.985%0.84676%0.76SS**  trans-60.8130.5159.5-84.6-88.4000109.7L148 Q152L148-F150 PolarHBondContact O-N 2.88Å; F150-Q152 PolarHBondContact O-N 3.09Å
151P37.3Very low41.4Very low134 Ų134138.5 Ų138.587%0.8777%0.769SS**  trans-68.197.9178.7-21.133.3000112.1
152Q40Very low40.6Very low186 Ų186136.7 Ų136.787%0.86978%0.775SS**  trans-85.2125.2170.7-157.9174.321.800110F150F150-Q152 PolarHBondContact O-N 3.09Å
153K35.8Very low39.9Very low182 Ų182138.7 Ų138.779%0.79179%0.792SS**  trans65.9101.3178.7-77.7176.1168.8174.10117.6
154L37.9Very low39.4Very low187 Ų187140.4 Ų140.498%0.97981%0.807SS**  -90.2102.5127.1-82.9167.9000108.6
155A38.8Very low38.7Very low90 Ų90136.6 Ų136.674%0.74481%0.812SS**  trans-107.7103166.100000107.7
156G33.9Very low38.4Very low79 Ų79134.9 Ų134.981%0.81482%0.823SS**  trans-149.743.3-164.500000114.8
157G37.1Very low37.6Very low65 Ų65136.1 Ų136.167%0.6783%0.833SS**  trans60.6102.4153.700000119.6
158M34.3Very low37.1Very low194 Ų194135.1 Ų135.196%0.95684%0.837SS**  trans-136.7117.1143.8-72.7-166.377.900110.1
159H39.4Very low36.4Very low178 Ų178136 Ų13682%0.82484%0.843SS**  trans-87.6137.6173.1-58.6-102.1000110.1
160K38Very low36Very low204 Ų204134.8 Ų134.889%0.88785%0.85SS**  trans-176.7108.8136.2-100.1155.8-172.1-177.60112.9
161S34.2Very low35.7Very low123 Ų123134.4 Ų134.486%0.8685%0.851SS**  trans13.8127.5147.5-43.70000121.7
162A32Very low35.5Very low106 Ų106132.4 Ų132.488%0.87685%0.845SS**  -154.4122.5126.900000110.1
163S35.5Very low35Very low121 Ų121126.9 Ų126.985%0.84684%0.838SS**  trans-117.9130.5174.2-64.40000110.3
164T35Very low34.9Very low152 Ų152126.8 Ų126.893%0.93385%0.845SS**  trans-173.5137.1147.645.90000106.4
165G30.4Very low34.5Very low78 Ų78121.2 Ų121.280%0.80483%0.833SS**  cis169.7132.4-3.500000107.1
166A38.9Very low35.1Very low112 Ų112122.8 Ų122.893%0.92684%0.836SS**  trans-91.4137.1176.800000110.4
167A33.2Very low35Very low109 Ų109127.8 Ų127.890%0.90184%0.843SS**  trans-148.5139.5162.900000108.6
168A39.5Very low34.7Very low96 Ų96127.8 Ų127.879%0.79384%0.842SS**  trans-123.6147.7179.500000110
169D33.6Very low34.5Very low168 Ų168126.8 Ų126.890%0.89884%0.84SS**  trans-175.1130.7137.7-112.7-27.8000107.7
170G31.8Very low34Very low73 Ų73126.6 Ų126.675%0.75384%0.839SS**  102.5143.598.500000109.4
171E32.6Very low33.9Very low186 Ų186121 Ų12187%0.86983%0.831SS**  cis-164.4154.510.2-173.6-134.6140.900109
172A33.5Very low34.5Very low92 Ų92119.6 Ų119.676%0.7682%0.819SS**  trans54.8146.4165.400000119.5
173G30.3Very low34.5Very low69 Ų69123.8 Ų123.871%0.71181%0.813SS**  cis171.8167.60.900000107
174L33.4Very low34.1Very low181 Ų181125.5 Ų125.595%0.94881%0.808SS**  cis-146.8-176.35-71.6169.9000109
175G29.4Very low33.9Very low69 Ų69123.6 Ų123.671%0.71180%0.796SS**  trans-105.1-144.3176.700000115.5
176P51.2Low33.7Very low124 Ų124129.9 Ų129.981%0.80580%0.801SS**  -135.2155.3-8938.8-25.8000115.8
177L32.3Very low33.3Very low184 Ų184129.5 Ų129.596%0.96379%0.792SS**  trans-149.7152.9165-66.7174.7000108.2
178G29.5Very low33Very low64 Ų64127.9 Ų127.966%0.6679%0.785SS**  cis130.3101.9200000112.2
179L31.8Very low32.7Very low173 Ų173129.2 Ų129.291%0.90679%0.789SS**  trans58.5118.7161.9-65.8154.4000119.5
180H28.1Very low32.5Very low175 Ų175125.1 Ų125.181%0.8179%0.786SS**  -172.2140112.7-131-105.9000114.6
181A35.4Very low32.6Very low87 Ų87126.9 Ų126.972%0.71979%0.787SS**  trans-130.6149.2148.900000106.1
182P47.8Very low32.6Very low93 Ų93126 Ų12660%0.60479%0.787SS**  -157.4166.710239.4-20.4000116.7
183Y31.3Very low32.4Very low194 Ų194126.3 Ų126.376%0.76179%0.79SS**  trans50.9154.8146.5104.4-34.8000121.5
184E27.2Very low32.6Very low156 Ų156129 Ų12973%0.72980%0.798SS**  cis-146.4161.818.2-155168.8-133.700116
185V30.2Very low32.3Very low112 Ų112124.1 Ų124.168%0.67979%0.791SS**  trans-57.9144.5172.1167.50000115.9
186K27.5Very low32.5Very low211 Ų211126.7 Ų126.792%0.91780%0.799SS**  -151134.6126.3-157.6139-172.7170.90114.6
187S29.4Very low31.7Very low104 Ų104125.7 Ų125.773%0.72780%0.801SS**  trans-108.8165.9-170.3-42.30000114.1
188G27.1Very low31.4Very low74 Ų74123.1 Ų123.176%0.76380%0.798SS**  trans176.580.3162.900000109
189S34.5Very low31.5Very low125 Ų125126.6 Ų126.687%0.87481%0.806SS**  68.6116.864.1-162.20000113.7
190G27.5Very low31.4Very low82 Ų82123.2 Ų123.285%0.84580%0.797SS**  trans-177.874.8-179.600000109.6
191S35.1Very low31.5Very low109 Ų109121.4 Ų121.476%0.76280%0.798SS**  trans-97.1-165.8-175.2-169.70000111.8
192L32Very low31.2Very low167 Ų167122.7 Ų122.787%0.87480%0.802SS**  trans92134.9175-48.6174.7000114.1
193A30.2Very low30.4Very low99 Ų99123.3 Ų123.382%0.81882%0.815SS**  cis-147.4165.38.300000113.9
194S33.7Very low30.2Very low125 Ų125118.2 Ų118.287%0.87482%0.822SS**  trans-74.3161.3179.6-47.90000115.1
195G28.2Very low30.3Very low79 Ų79114.5 Ų114.581%0.81483%0.825SS**  trans-154.4128.9160.800000110.8
196S31.9Very low30.4Very low124 Ų124113.8 Ų113.887%0.86783%0.831SS**  trans-100.5165.6-164.6-59.20000115.1
197A34.3Very low31Very low103 Ų103110 Ų11085%0.85183%0.828SS**  trans-44.9154.8-18000000118.7
198S27.8Very low31.5Very low129 Ų129108.5 Ų108.590%0.90282%0.822SS**  trans-153.3172.1148.959.70000111.5
199V30.7Very low32.1Very low138 Ų138113.1 Ų113.184%0.83683%0.829SS**  trans-109.5163.7-154.469.30000114.3
200S29.7Very low32.3Very low101 Ų101113.7 Ų113.771%0.70682%0.822SS**  trans-55.5151.6-178.9-34.10000117
201T29.2Very low33.2Very low137 Ų137117.6 Ų117.684%0.8482%0.824SS**  -168.3130.7120.226.60000115
202S30.1Very low33.6Very low114 Ų114120 Ų12080%0.79783%0.826SS**  trans35.3116146.9630000123.5
203A30.1Very low34.3Very low107 Ų107120.1 Ų120.188%0.88482%0.822SS**  -161150.6121.100000109.4
204G28.3Very low35Very low87 Ų87124.5 Ų124.590%0.89783%0.826SS**  trans-90.6164.7-171.200000115.3
205G29Very low35.1Very low77 Ų77129 Ų12979%0.79482%0.824SS**  trans160.2117.7172.600000111.1
206A31.7Very low35.8Very low97 Ų97131.6 Ų131.680%0.80282%0.824SS**  trans-75.8134173.300000109.9A208A206-A208 PolarHBondContact O-N 3.3Å
207P41.1Very low35.9Very low133 Ų133131.7 Ų131.786%0.86481%0.811SS**  trans-75109.1168.129.9-30.5000108.8
208A39.7Very low36.1Very low72 Ų72133.5 Ų133.560%0.59581%0.805SS**  trans-81.5138176.800000111.3A206 N210A206-A208 PolarHBondContact O-N 3.3Å; A208-N210 PolarHBondContact O-N 3.11Å; A208-N210 PolarHBondContact O-ND2 3.25Å
209D39.1Very low36.5Very low171 Ų171136.2 Ų136.291%0.91480%0.795SS**  trans-50123.5164.5-76.2-55.4000110.4
210N40.1Very low36.9Very low136 Ų136136.5 Ų136.573%0.72779%0.791SS**  trans-146.948.2-179.7-95.6-80.8000112.4A208A208-N210 PolarHBondContact O-N 3.11Å; A208-N210 PolarHBondContact O-ND2 3.25Å
211D44.8Very low37.2Very low164 Ų164137.1 Ų137.188%0.87780%0.796SS**SBendtrans-128.223.4177.9-87.5-44.8000113.6
212I43.4Very low37.4Very low159 Ų159139.1 Ų139.182%0.81580%0.795SS**SBendtrans-129.86-175.4-115.4167.7000116.5
213E47.2Very low37.4Very low170 Ų170138.8 Ų138.879%0.79479%0.793SS**  trans-115.126.5178.8-65.6-164.2173.800115.5W215E213-W215 PolarHBondContact O-N 3.48Å
214Q45.4Very low37.5Very low191 Ų191141.1 Ų141.189%0.89379%0.791SS**  trans-75.264.4166.5-72.7-167.82.100112.3
215W35Very low37.6Very low221 Ų221142.7 Ų142.784%0.83779%0.788SS**  trans-73.8138.9163.6-68.474.6000109.4E213 E217E213-W215 PolarHBondContact O-N 3.48Å; W215-E217 PolarHBondContact O-N 2.9Å
216T43.4Very low37.7Very low133 Ų133145.6 Ų145.682%0.81679%0.79SS**  trans-70.591.8178.9-43.40000110.3I218T216-I218 PolarHBondContact O-N 2.98Å
217E35Very low37.6Very low126 Ų126146.1 Ų146.159%0.58979%0.788SS**  trans-65.4100.7-179.8-168.7-171.4-178.700111.3W215 R219W215-E217 PolarHBondContact O-N 2.9Å; E217-R219 HydrophobicContact CG-CG 4.31Å; E217-R219 PolarHBondContact O-N 3.41Å; E217-R219 IonicContact OE1-CZ 3.02Å; E217-R219 IonicContact OE1-NE 3.47Å; E217-R219 PolarHBondContact OE1-NE 2.91Å; E217-R219 IonicContact OE1-NH1 3.55Å; E217-R219 IonicContact OE1-NH2 2.67Å; E217-R219 PolarHBondContact OE1-NH2 3.3Å; E217-R219 IonicContact OE2-CZ 3.03Å; E217-R219 IonicContact OE2-NH1 2.69Å; E217-R219 PolarHBondContact OE2-NH1 3.25Å; E217-R219 IonicContact OE2-NH2 2.97Å; E217-R219 PolarHBondContact OE2-NH2 2.96Å
218I36.8Very low36.9Very low141 Ų141145.6 Ų145.672%0.72379%0.787SS**  trans-77.589174.1-54.3177.7000108.8T216 L220T216-I218 PolarHBondContact O-N 2.98Å; I218-L220 HydrophobicContact CG2-CD2 4.41Å; I218-L220 PolarHBondContact O-N 2.9Å
219R37.9Very low36.3Very low186 Ų186146.4 Ų146.470%0.70279%0.789SS**  trans-69.698.7168-76.2-164.5165.38513.9110.5E217 S221E217-R219 HydrophobicContact CG-CG 4.31Å; E217-R219 PolarHBondContact O-N 3.41Å; E217-R219 IonicContact OE1-CZ 3.02Å; E217-R219 IonicContact OE1-NE 3.47Å; E217-R219 PolarHBondContact OE1-NE 2.91Å; E217-R219 IonicContact OE1-NH1 3.55Å; E217-R219 IonicContact OE1-NH2 2.67Å; E217-R219 PolarHBondContact OE1-NH2 3.3Å; E217-R219 IonicContact OE2-CZ 3.03Å; E217-R219 IonicContact OE2-NH1 2.69Å; E217-R219 PolarHBondContact OE2-NH1 3.25Å; E217-R219 IonicContact OE2-NH2 2.97Å; E217-R219 PolarHBondContact OE2-NH2 2.96Å; R219-S221 PolarHBondContact O-N 3.28Å
220L38.2Very low35.9Very low143 Ų143149.1 Ų149.175%0.74979%0.788SS**  trans-66118.7165.3-67.6173.7000108.9I218 H222I218-L220 HydrophobicContact CG2-CD2 4.41Å; I218-L220 PolarHBondContact O-N 2.9Å; L220-H222 PolarHBondContact O-N 3.25Å; L220-H222 VanDerWaalsContact O-N 3.07Å
221S36.3Very low35.4Very low115 Ų115147.8 Ų147.880%0.80479%0.789SS**  trans-69105.4178.3-44.40000110.4R219 S223R219-S221 PolarHBondContact O-N 3.28Å; S221-S223 PolarHBondContact O-N 3.07Å
222H32.3Very low35Very low179 Ų179147.4 Ų147.483%0.82979%0.787SS**  trans-63.7124.2162.2-66-78000108.2L220L220-H222 PolarHBondContact O-N 3.25Å; L220-H222 VanDerWaalsContact O-N 3.07Å
223S31.2Very low34.4Very low106 Ų106148.4 Ų148.474%0.74179%0.788SS**  trans-90.8118.6171.5-59.80000109S221 S225S221-S223 PolarHBondContact O-N 3.07Å; S223-S225 PolarHBondContact O-N 3.06Å; S223-S225 VanDerWaalsContact O-N 3.1Å
224D32.9Very low33.6Very low157 Ų157145.5 Ų145.584%0.8479%0.787SS**  trans-58.6113176.4-62.8-60.3000110.6T226D224-T226 PolarHBondContact O-N 2.86Å
225S29.6Very low33Very low120 Ų120143.5 Ų143.584%0.83978%0.781SS**  trans-89.2100.1172-65.20000109S223 S227S223-S225 PolarHBondContact O-N 3.06Å; S223-S225 VanDerWaalsContact O-N 3.1Å; S225-S227 PolarHBondContact O-N 2.98Å
226T30.1Very low33Very low137 Ų137139.5 Ų139.584%0.8478%0.776SS**  trans-68.6127.8172.638.70000111D224D224-T226 PolarHBondContact O-N 2.86Å
227S30.6Very low32.6Very low108 Ų108141.2 Ų141.276%0.75577%0.774SS**  trans-56.6147.2178.4176.50000113.9S225S225-S227 PolarHBondContact O-N 2.98Å
228S26.4Very low32.4Very low122 Ų122142 Ų14285%0.85378%0.778SS**  trans-144.5130.1147.6-155.80000110.7
229S27.9Very low32.1Very low89 Ų89143.8 Ų143.862%0.62278%0.783SS**  trans-102.5-177.4-174.7-65.50000112.5
230Y28.8Very low31.6Very low229 Ų229138 Ų13890%0.89878%0.781SS**  trans83.1139.6178.1-61.6-84.9000115.6
231S30.4Very low31.5Very low107 Ų107138.9 Ų138.975%0.74879%0.786SS**  cis-163.8156.5-20.5-162.70000109.5
232N36.6Very low31.3Very low157 Ų157141 Ų14184%0.8479%0.788SS**  trans-86.4126.9170-88.9-89.4000111.1
233Q30.3Very low31.3Very low179 Ų179137.7 Ų137.784%0.83679%0.785SS**  trans-168.3127.1150.1-154.814285.200113.8
234S30Very low31.5Very low110 Ų110139.8 Ų139.877%0.76979%0.794SS**  trans57.1168.7149-73.10000119.4
235L34.1Very low31.5Very low149 Ų149135.9 Ų135.978%0.7879%0.79SS**  cis-167.9157.7-28.817364.9000105.3
236L34.7Very low31.6Very low136 Ų136133.7 Ų133.771%0.71279%0.787SS**  trans-1.1160159.6-137.273.5000122.5
237E34.8Very low32Very low169 Ų169136 Ų13679%0.7979%0.79SS**  trans100.3122.1170.4-74.8156.799.500116.1
238Q31.6Very low32.2Very low144 Ų144136.8 Ų136.867%0.67380%0.796SS**  cis97.1117.425.3-168.5164.54.500114.8
239Q30.2Very low32.7Very low178 Ų178134.7 Ų134.783%0.83279%0.793SS**  trans76.5155160.1-76.3166.2-0.700121.2
240G27.7Very low33Very low63 Ų63133.8 Ų133.865%0.64980%0.798SS**  trans107.3104.6-173.300000111.2
241L34.4Very low33.1Very low162 Ų162131.6 Ų131.685%0.84880%0.801SS**  5212250.5-49.9178.8000110
242D32Very low33.1Very low160 Ų160129.7 Ų129.786%0.85680%0.798SS**  -150.8173.154.9-83.7-50.7000116.5
243S33Very low32.9Very low109 Ų109131 Ų13176%0.76280%0.804SS**  trans-78.7155.6-178.9-61.60000115.1
244T36Very low32.9Very low151 Ų151125.4 Ų125.493%0.92680%0.795SS**  170.7138.2127.731.40000109.7
245G31.6Very low33.2Very low74 Ų74128.6 Ų128.676%0.76380%0.802SS**  cis174147.5-11.800000112
246G33.1Very low33.2Very low74 Ų74126 Ų12676%0.76380%0.803SS**  trans75155.5165.300000117.5
247M37Very low33.1Very low185 Ų185130 Ų13091%0.91181%0.808SS**  cis-153.1150.2-0.7-52.1177.7100.900110.4
248S36.3Very low33.1Very low125 Ų125128.6 Ų128.687%0.87481%0.806SS**  trans25118147.6-177.70000118.8
249G35.8Very low33Very low78 Ų78129.1 Ų129.180%0.80481%0.808SS**  117.5157.952.400000108.9
250G34.5Very low33.4Very low70 Ų70127.1 Ų127.172%0.72280%0.802SS**  cis175.2171.1-7.300000111.9
251L31.2Very low33.6Very low184 Ų184130.9 Ų130.996%0.96381%0.808SS**  trans70.9135.6155-52.6177.5000122
252G31.2Very low33.7Very low67 Ų67127.1 Ų127.169%0.69180%0.8SS**  trans127.585.5168.700000112.8
253L32.3Very low33.6Very low183 Ų183127.3 Ų127.396%0.95880%0.801SS**  43.8117.665.4-67.7170.2000112.8
254G30.5Very low33.8Very low63 Ų63125.8 Ų125.865%0.64980%0.795SS**  cis172.7-169.3-1.700000111.9
255L35.7Very low33.6Very low176 Ų176127.7 Ų127.792%0.92179%0.794SS**  trans73.2106.7177.2-53.8167.3000115.1
256A32.7Very low33.5Very low95 Ų95128.2 Ų128.279%0.78579%0.785SS**  cis100120.243.500000113.4
257R33.8Very low33.4Very low221 Ų221132.8 Ų132.883%0.83479%0.787SS**  170.1108.6113.1-172168.7-175171.7-1.1113.7
258N34Very low33Very low139 Ų139132 Ų13274%0.74378%0.78SS**  trans57.7139.4149.1-48.43.1000118.5
259H30.4Very low32.7Very low154 Ų154131.2 Ų131.271%0.71378%0.775SS**  178.1118.357.4176.3-86.7000113
260L38.9Very low32.6Very low136 Ų136134.6 Ų134.671%0.71278%0.781SS**  trans56.3143159.8-50.5-173.7000119.7
261D32.2Very low32.4Very low143 Ų143136.5 Ų136.577%0.76578%0.783SS**  cis-160.9167.9-18.9-133.4-42.2000110.4
262A36.4Very low32.7Very low83 Ų83133.5 Ų133.569%0.68678%0.777SS**  trans-1131.3173.500000120.7
263D29.7Very low32.9Very low164 Ų164135 Ų13588%0.87778%0.777SS**  cis62.7136.245.9-120.4-13.3000113.9
264A36.6Very low33.1Very low77 Ų77133.3 Ų133.364%0.63677%0.769SS**  cis-162.5176.814.600000114.5
265Q30.9Very low33.5Very low191 Ų191137.8 Ų137.889%0.89377%0.773SS**  trans92.6104.7154.2-57.2-163.3-3400123.1
266S30.4Very low33.9Very low84 Ų84134.3 Ų134.359%0.58776%0.761SS**  154.293.5122.6-168.90000110.1H268S266-H268 PolarHBondContact OG-CE1 2.9Å; S266-H268 PolarHBondContact OG-NE2 2.67Å
267Q31.7Very low34.4Very low170 Ų170139.4 Ų139.479%0.79477%0.766SS**  5674.769.7-65.1-681.600116.3
268H28.5Very low34.7Very low168 Ų168140.4 Ų140.478%0.77877%0.769SS**  trans-133.5125.2157.6-56.8-64.9000110.9S266S266-H268 PolarHBondContact OG-CE1 2.9Å; S266-H268 PolarHBondContact OG-NE2 2.67Å
269S29.3Very low35.1Very low109 Ų109142.6 Ų142.676%0.76277%0.772SS**  trans-80.2145.5-165.3-50.40000114.4S271S269-S271 PolarHBondContact O-N 3.47Å; S269-S271 VanDerWaalsContact O-N 3.12Å
270T34.4Very low35.2Very low150 Ų150141.6 Ų141.692%0.9278%0.776SS**  trans-71.498.1162.551.90000110
271S30Very low35.1Very low110 Ų110139.8 Ų139.877%0.76977%0.772SS**  trans-106.8116.4173.7-166.60000111.2S269 S273S269-S271 PolarHBondContact O-N 3.47Å; S269-S271 VanDerWaalsContact O-N 3.12Å; S271-S273 PolarHBondContact O-N 3.03Å
272S38Very low35.1Very low120 Ų120138.8 Ų138.884%0.83977%0.774SS**  trans-78.8109.8172.9166.30000109.7
273S34.9Very low35.2Very low100 Ų100139.9 Ų139.970%0.69977%0.772SS**  trans-111118.8166.5-1640000110S271 E275S271-S273 PolarHBondContact O-N 3.03Å; S273-E275 PolarHBondContact O-N 3.32Å
274D37.1Very low35.6Very low147 Ų147137.2 Ų137.279%0.78676%0.762SS**  trans-80.697.5179.7-173.4-116000109.8P276D274-P276 WeakPolarHBondContact O-CD 3.4Å
275E37.5Very low35.6Very low156 Ų156140.3 Ų140.373%0.72977%0.767SS**  trans-91.6110177-160.787.5168.900109.4S273 K277S273-E275 PolarHBondContact O-N 3.32Å; E275-K277 PolarHBondContact O-N 3.18Å
276P44Very low36Very low104 Ų104139.3 Ų139.368%0.67576%0.76SS**  trans-69.999.3-177.226.6-33.8000110.8D274 R278D274-P276 WeakPolarHBondContact O-CD 3.4Å; P276-R278 PolarHBondContact O-N 3.25Å
277K43Very low36.1Very low202 Ų202144.4 Ų144.488%0.87877%0.774SS**  trans-51.3104177.5-68.9-177.7178.8179.40111.1E275 K279E275-K277 PolarHBondContact O-N 3.18Å; K277-K279 PolarHBondContact O-N 3.24Å
278R40.9Very low36.2Very low242 Ų242143.5 Ų143.591%0.91378%0.775SS**  trans-56.9109.5178-76.3-178.9163.3-162.5-5.9110.3P276 V280P276-R278 PolarHBondContact O-N 3.25Å; R278-V280 PolarHBondContact O-N 3.3Å
279K41.9Very low36.5Very low184 Ų184142.9 Ų142.980%0.878%0.777SS**  trans-87.294.4-176.9-167.6-173.2-178.5-164.10110K277 T281K277-K279 PolarHBondContact O-N 3.24Å; K279-T281 PolarHBondContact O-N 3.47Å; K279-T281 PolarHBondContact O-OG1 3.3Å
280V33.5Very low36.7Very low133 Ų133142.7 Ų142.781%0.80678%0.776SS**  trans-58.1120.8173.5-177.90000108.9R278R278-V280 PolarHBondContact O-N 3.3Å
281T35.8Very low36.6Very low99 Ų99140.8 Ų140.861%0.60777%0.769SS**  trans-124.7104.9176.5-54.30000107.1K279 T283K279-T281 PolarHBondContact O-N 3.47Å; K279-T281 PolarHBondContact O-OG1 3.3Å; T281-T283 PolarHBondContact O-N 3.33Å
282C31.8Very low36.9Very low122 Ų122140.6 Ų140.682%0.82477%0.774SS**  trans-75.7106.8173.7-68.90000109.4
283T40.2Very low36.6Very low105 Ų105140.6 Ų140.664%0.64477%0.774SS**  trans-102.2111.1167.8-59.70000108.3T281 I285T281-T283 PolarHBondContact O-N 3.33Å; T283-I285 HydrophobicContact CG2-CG1 3.94Å; T283-I285 PolarHBondContact O-N 2.91Å
284T37.8Very low36.5Very low109 Ų109141.9 Ų141.967%0.66978%0.783SS**  trans-74.7111167.7-54.90000108.5F286T284-F286 HydrophobicContact CG2-CD2 4.38Å; T284-F286 HydrophobicContact CG2-CE2 3.87Å; T284-F286 HydrophobicContact CG2-CZ 4Å
285I35.7Very low36.2Very low141 Ų141138.6 Ų138.672%0.72378%0.784SS**  trans-96.5119.8173.1-57.3177.5000107.4T283T283-I285 HydrophobicContact CG2-CG1 3.94Å; T283-I285 PolarHBondContact O-N 2.91Å
286F38.7Very low36Very low170 Ų170135.5 Ų135.575%0.74679%0.793SS**  trans-85.2136.9165.7-67.1-84.6000108.4T284 D288T284-F286 HydrophobicContact CG2-CD2 4.38Å; T284-F286 HydrophobicContact CG2-CE2 3.87Å; T284-F286 HydrophobicContact CG2-CZ 4Å; F286-D288 PolarHBondContact O-N 3.38Å
287Q34.1Very low35.5Very low192 Ų192134.1 Ų134.190%0.89780%0.798SS**  trans-80.8107.2170.8-70.7-179.762.600108.2D289Q287-D289 PolarHBondContact O-N 3.35Å
288D33.6Very low35.3Very low150 Ų150133.7 Ų133.780%0.80280%0.799SS**  trans-80.393.8169.9-75.8-41.2000109.1F286 S290F286-D288 PolarHBondContact O-N 3.38Å; D288-S290 PolarHBondContact O-N 3.5Å
289D34Very low35.1Very low156 Ų156131 Ų13183%0.83480%0.797SS**  trans-81.9108.7168.6-139.9-22.7000108.7Q287Q287-D289 PolarHBondContact O-N 3.35Å
290S34.1Very low35Very low104 Ų104129.4 Ų129.473%0.72779%0.794SS**  trans-151.265.5-173.3-77.60000111.9D288 A292D288-S290 PolarHBondContact O-N 3.5Å; S290-A292 PolarHBondContact O-N 2.98Å
291S32.6Very low35.4Very low111 Ų111126.6 Ų126.678%0.77678%0.78SS**  trans-62.8127159.559.80000110.2
292A36.8Very low36.1Very low105 Ų105133.4 Ų133.487%0.86880%0.795SS**  trans-66.2137-168.800000114.9S290S290-A292 PolarHBondContact O-N 2.98Å
293S30Very low36.9Very low120 Ų120135.8 Ų135.884%0.83979%0.792SS**  trans-14814514665.80000111.5
294S34.2Very low37.3Very low127 Ų127136.4 Ų136.489%0.88879%0.787SS**  trans-75.2141.9-170.752.70000114.7
295G30.3Very low37.8Very low79 Ų79135.1 Ų135.181%0.81478%0.783SS**  trans173.5118.1163.400000112.5
296G34Very low38.2Very low90 Ų90134.5 Ų134.593%0.92878%0.78SS**  trans-80.5140.8-177.500000113.6
297G31.7Very low38.4Very low75 Ų75130 Ų13077%0.77377%0.77SS**  trans172.3102.3172.300000111.1Q299G297-Q299 PolarHBondContact O-N 3.44Å
298Q39.1Very low38.9Very low194 Ų194127.2 Ų127.291%0.90776%0.756SS**  trans-73.8115.1179.8-75.5-168.3-12.500111.3
299Q38.3Very low39.2Very low185 Ų185130.1 Ų130.186%0.86476%0.756SS**  trans-126.399.7161.7-167.7176.42.300108.7G297 S301G297-Q299 PolarHBondContact O-N 3.44Å; Q299-S301 PolarHBondContact O-N 3.49Å
300M39.6Very low39.8Very low150 Ų150128.4 Ų128.474%0.73975%0.747SS**  trans-68.696.3-179-72.2-69.3-86.600110.4
301S41.8Very low40Very low74 Ų74128 Ų12852%0.51774%0.743SS.*  trans-71.5136.1-178.7-176.20000111.8Q299 K303 Q304Q299-S301 PolarHBondContact O-N 3.49Å; S301-K303 PolarHBondContact O-N 3.35Å; S301-Q304 PolarHBondContact O-N 3.34Å
302R50Low40.2Very low242 Ų242133.2 Ų133.291%0.91375%0.746SS**THydrogen-bonded Turntrans-56.8-5.9-176.5-163.3176.9-82.2178.2-6.9114.6
303K48.9Very low39.9Very low173 Ų173132.8 Ų132.875%0.75274%0.737SS**THydrogen-bonded Turntrans-81.4-21.7-177.5-62.7-174.2177.2-175.90115.2S301 S305S301-K303 PolarHBondContact O-N 3.35Å; K303-S305 VanDerWaalsContact C-N 3.3Å; K303-S305 PolarHBondContact O-N 2.88Å
304Q48.8Very low40.4Very low118 Ų118134.4 Ų134.455%0.55174%0.736SS**Hα-helixtrans-70.6-21.2-179.4-76-170.9-10.500114.5S301 L306 Q308S301-Q304 PolarHBondContact O-N 3.34Å; Q304-L306 PolarHBondContact O-N 2.9Å; Q304-Q308 PolarHBondContact O-N 3.41Å
305S47.3Very low40.6Very low82 Ų82133.4 Ų133.457%0.57373%0.73SS**Hα-helixtrans-65.4-38-177-1710000113.2K303 Q308 W309K303-S305 VanDerWaalsContact C-N 3.3Å; K303-S305 PolarHBondContact O-N 2.88Å; S305-Q308 PolarHBondContact O-N 3.41Å; S305-W309 PolarHBondContact O-N 2.92Å
306L44.8Very low40.8Very low127 Ų127139.3 Ų139.367%0.66573%0.733SS**Hα-helixtrans-69.5-42.3-175.1-144.283.6000112.2Q304 Q308 W309 L310Q304-L306 PolarHBondContact O-N 2.9Å; L306-Q308 VanDerWaalsContact C-N 3.33Å; L306-Q308 PolarHBondContact O-N 2.93Å; L306-W309 PolarHBondContact O-N 3.28Å; L306-L310 PolarHBondContact O-N 3.07Å; L306-L310 VanDerWaalsContact O-N 3.13Å
307S41.7Very low41.3Very low76 Ų76145.1 Ų145.153%0.53173%0.733SS.*Hα-helixtrans-66.7-33.2179.9-50.50000112.6S311S307-S311 WeakPolarHBondContact O-CB 3.16Å; S307-S311 PolarHBondContact O-N 3.46Å; S307-S311 PolarHBondContact O-OG 3.05Å
308Q45.8Very low41.8Very low133 Ų133144.9 Ų144.962%0.62173%0.73SS**Hα-helixtrans-71.8-30173.6-71.6-175.3-1.800113Q304 S305 L306 R312Q304-Q308 PolarHBondContact O-N 3.41Å; S305-Q308 PolarHBondContact O-N 3.41Å; L306-Q308 VanDerWaalsContact C-N 3.33Å; L306-Q308 PolarHBondContact O-N 2.93Å; Q308-R312 WeakPolarHBondContact O-CG 3.35Å
309W39.8Very low41.6Very low211 Ų211141.5 Ų141.580%0.79973%0.728SS**Hα-helixtrans-68.4-48.2172.9-109.170.9000112.1S305 L306 S311 R312S305-W309 PolarHBondContact O-N 2.92Å; L306-W309 PolarHBondContact O-N 3.28Å; W309-S311 VanDerWaalsContact C-N 3.26Å; W309-S311 PolarHBondContact O-N 3.36Å; W309-R312 PolarHBondContact O-N 3.3Å
310L46.8Very low42Very low121 Ų121136.4 Ų136.463%0.63473%0.725SS**Hα-helixtrans-66.8-25.2-179.4-69.2166.4000113.4L306 S313L306-L310 PolarHBondContact O-N 3.07Å; L306-L310 VanDerWaalsContact O-N 3.13Å; L310-S313 PolarHBondContact O-OG 2.92Å
311S37.7Very low41.9Very low94 Ų94138.6 Ų138.666%0.65773%0.725SS**THydrogen-bonded Turntrans-77.6-17.8179.3-59.40000113.9S307 W309S307-S311 WeakPolarHBondContact O-CB 3.16Å; S307-S311 PolarHBondContact O-N 3.46Å; S307-S311 PolarHBondContact O-OG 3.05Å; W309-S311 VanDerWaalsContact C-N 3.26Å; W309-S311 PolarHBondContact O-N 3.36Å
312R35.9Very low42Very low221 Ų221147.3 Ų147.383%0.83475%0.747SS**SBendtrans-88.7-12.5-176.3-68.8-178.877.3159.84114.2Q308 W309Q308-R312 WeakPolarHBondContact O-CG 3.35Å; W309-R312 PolarHBondContact O-N 3.3Å
313S30.6Very low41.8Very low97 Ų97141.5 Ų141.568%0.67873%0.73SS**SBendtrans-93-2.1-174.847.30000115.4L310L310-S313 PolarHBondContact O-OG 2.92Å
314N41Very low41.7Very low153 Ų153136.3 Ų136.382%0.81872%0.716SS**SBendtrans-107.518.5-177.5-159.423.2000114.9
315S38.7Very low41.8Very low107 Ų107137.6 Ų137.675%0.74873%0.725SS**  trans-115.572.3177-163.70000112.5
316F34.8Very low41.8Very low202 Ų202138.8 Ų138.889%0.88673%0.726SS**  trans-141.979.4154.3-132.8-84.5000110.6
317K43.9Very low42.1Very low212 Ų212138 Ų13892%0.92272%0.722SS**  trans-78.3126.5164.5-81.4-176.9175178.40109
318G41.8Very low42.5Very low70 Ų70140.8 Ų140.872%0.72273%0.729SS**  trans106.471.5152.100000117.8
319S35.1Very low42.7Very low123 Ų123140.9 Ų140.986%0.8673%0.733SS**  -159.5138.2125.4-166.20000110.3R321S319-R321 PolarHBondContact O-N 2.87Å
320G47.6Very low43.1Very low78 Ų78136 Ų13680%0.80472%0.723SS**  trans-87.1108.6-170.700000113.5
321R38Very low43.4Very low197 Ų197132.3 Ų132.374%0.74371%0.709SS**  trans-153.683152.1-126.5-177.5-161-140.96.2112.6S319 Q323S319-R321 PolarHBondContact O-N 2.87Å; R321-Q323 VanDerWaalsContact C-N 3.3Å; R321-Q323 HydrophobicContact CG-CG 4.01Å; R321-Q323 VanDerWaalsContact NH1-CD 3.33Å; R321-Q323 PolarHBondContact O-N 3.21Å; R321-Q323 VanDerWaalsContact O-N 3.1Å
322R42.8Very low44.1Very low257 Ų257129.8 Ų129.897%0.9770%0.698SS**  trans-74.887.8157.8-77.8177.6166.3-104.1-3.4107.8
323Q46.9Very low45Very low119 Ų119123.8 Ų123.856%0.55668%0.683SS**  trans-81.2142161.2-62.7-160.6-100.800108.6R321R321-Q323 VanDerWaalsContact C-N 3.3Å; R321-Q323 HydrophobicContact CG-CG 4.01Å; R321-Q323 VanDerWaalsContact NH1-CD 3.33Å; R321-Q323 PolarHBondContact O-N 3.21Å; R321-Q323 VanDerWaalsContact O-N 3.1Å
324S45.1Very low46Very low65 Ų65125.4 Ų125.446%0.45568%0.677SS.*  trans-66.1151.6-170.342.20000112.7D326 L327S324-D326 WeakPolarHBondContact CB-OD2 3.41Å; S324-D326 PolarHBondContact O-N 2.84Å; S324-L327 PolarHBondContact O-N 2.97Å
325L51.5Low46.8Very low144 Ų144122.5 Ų122.575%0.75467%0.665SS**THydrogen-bonded Turntrans-60.7-20.1173.7-155.481.2000112.1L327 L328L325-L327 VanDerWaalsContact C-N 3.29Å; L325-L327 PolarHBondContact O-N 3.41Å; L325-L328 VanDerWaalsContact O-CB 3.3Å; L325-L328 WeakPolarHBondContact O-CB 3.22Å; L325-L328 PolarHBondContact O-N 2.69Å
326D48.6Very low47.8Very low108 Ų108123.3 Ų123.358%0.57866%0.655SS**Hα-helixtrans-59.1-32.5-179.2-56.6-41.9000113.9S324 L328 I329 D330S324-D326 WeakPolarHBondContact CB-OD2 3.41Å; S324-D326 PolarHBondContact O-N 2.84Å; D326-L328 PolarHBondContact O-N 3.46Å; D326-I329 PolarHBondContact O-N 3.31Å; D326-D330 PolarHBondContact O-N 3.13Å
327L51.1Low48.8Very low111 Ų111118.8 Ų118.858%0.58164%0.64SS**Hα-helixtrans-65.7-19176.6-90.481.4000112.8S324 L325 A331S324-L327 PolarHBondContact O-N 2.97Å; L325-L327 VanDerWaalsContact C-N 3.29Å; L325-L327 PolarHBondContact O-N 3.41Å; L327-A331 VanDerWaalsContact O-CB 3.29Å; L327-A331 WeakPolarHBondContact O-CB 3.43Å; L327-A331 PolarHBondContact O-N 3.26Å
328L49.3Very low49.4Very low133 Ų133113.9 Ų113.970%0.69663%0.628SS**Hα-helixtrans-79.5-26.2-179.9-153.771.6000112.3L325 D326L325-L328 VanDerWaalsContact O-CB 3.3Å; L325-L328 WeakPolarHBondContact O-CB 3.22Å; L325-L328 PolarHBondContact O-N 2.69Å; D326-L328 PolarHBondContact O-N 3.46Å
329I50.3Low50.2Low136 Ų136117.5 Ų117.570%0.69762%0.624SS**Hα-helixtrans-75.8-46175.9-58.2177.5000109.4D326 A331 G332D326-I329 PolarHBondContact O-N 3.31Å; I329-A331 VanDerWaalsContact C-N 3.29Å; I329-A331 PolarHBondContact O-N 3.19Å; I329-G332 PolarHBondContact O-N 2.74Å; I329-G332 VanDerWaalsContact O-N 3.09Å
330D47.9Very low51.2Low109 Ų109115 Ų11558%0.58361%0.607SS**Hα-helixtrans-72.1-20-179.8-157.245000113.5D326D326-D330 PolarHBondContact O-N 3.13Å
331A52.1Low51.5Low42 Ų42119.5 Ų119.535%0.34760%0.6SS.*Hα-helixtrans-74.1-24.1169.800000113.3L327 I329 K334 V335L327-A331 VanDerWaalsContact O-CB 3.29Å; L327-A331 WeakPolarHBondContact O-CB 3.43Å; L327-A331 PolarHBondContact O-N 3.26Å; I329-A331 VanDerWaalsContact C-N 3.29Å; I329-A331 PolarHBondContact O-N 3.19Å; A331-K334 PolarHBondContact O-N 3.32Å; A331-V335 WeakPolarHBondContact O-CG2 3.45Å; A331-V335 PolarHBondContact O-N 2.96Å
332G52.2Low52.2Low42 Ų42112 Ų11243%0.43359%0.585SS.*Hα-helixtrans-63.1-46.4-176.900000113.4I329 V335 K336I329-G332 PolarHBondContact O-N 2.74Å; I329-G332 VanDerWaalsContact O-N 3.09Å; G332-V335 PolarHBondContact O-N 3.19Å; G332-K336 PolarHBondContact O-N 2.86Å
333D55.4Low52.5Low94 Ų94107.1 Ų107.150%0.50357%0.571SS.*Hα-helixtrans-68.9-35.7179.3-101.5-25.4000112.2V335 K336 D337D333-V335 VanDerWaalsContact C-N 3.32Å; D333-V335 PolarHBondContact O-N 3.45Å; D333-K336 WeakPolarHBondContact O-CB 3.33Å; D333-K336 PolarHBondContact O-N 3.46Å; D333-K336 IonicContact OD1-NZ 3.02Å; D333-K336 PolarHBondContact OD1-NZ 2.87Å; D333-D337 PolarHBondContact O-N 2.84Å
334K53Low52.9Low131 Ų131108.7 Ų108.757%0.5758%0.578SS**Hα-helixtrans-66.7-33177.8-58.5-174.3-161.2-56.50112.5A331 V338A331-K334 PolarHBondContact O-N 3.32Å; K334-V338 WeakPolarHBondContact O-CG2 3.35Å; K334-V338 PolarHBondContact O-N 2.96Å
335V55.9Low53.3Low92 Ų92113.6 Ų113.656%0.55859%0.591SS**Hα-helixtrans-70.9-36.9174173.80000111.3A331 G332 D333 V338 F339A331-V335 WeakPolarHBondContact O-CG2 3.45Å; A331-V335 PolarHBondContact O-N 2.96Å; G332-V335 PolarHBondContact O-N 3.19Å; D333-V335 VanDerWaalsContact C-N 3.32Å; D333-V335 PolarHBondContact O-N 3.45Å; V335-V338 PolarHBondContact O-N 2.97Å; V335-F339 PolarHBondContact O-N 3.28Å
336K60Low53.1Low125 Ų125111.9 Ų111.954%0.54359%0.586SS.*Hα-helixtrans-65.8-37175.5174.3179.2148.8-147.40112.7G332 D333 F339 S340G332-K336 PolarHBondContact O-N 2.86Å; D333-K336 WeakPolarHBondContact O-CB 3.33Å; D333-K336 PolarHBondContact O-N 3.46Å; D333-K336 IonicContact OD1-NZ 3.02Å; D333-K336 PolarHBondContact OD1-NZ 2.87Å; K336-F339 PolarHBondContact O-N 3.45Å; K336-S340 WeakPolarHBondContact O-CB 3.48Å; K336-S340 PolarHBondContact O-N 3.24Å; K336-S340 PolarHBondContact O-OG 3Å
337D56.1Low52.9Low107 Ų107109.9 Ų109.957%0.57259%0.591SS**Hα-helixtrans-65.6-43.1171.4-80.2-18.2000112.2D333 F339 S340 Y341D333-D337 PolarHBondContact O-N 2.84Å; D337-F339 VanDerWaalsContact C-N 3.31Å; D337-F339 PolarHBondContact O-N 3Å; D337-S340 PolarHBondContact O-N 3.5Å; D337-Y341 VanDerWaalsContact O-CB 3.29Å; D337-Y341 WeakPolarHBondContact O-CB 3.26Å; D337-Y341 PolarHBondContact O-N 3.43Å
338V57.3Low52.7Low109 Ų109116 Ų11666%0.66161%0.607SS**Hα-helixtrans-62.3-38.8174.9171.60000111.5K334 V335 G342K334-V338 WeakPolarHBondContact O-CG2 3.35Å; K334-V338 PolarHBondContact O-N 2.96Å; V335-V338 PolarHBondContact O-N 2.97Å; V338-G342 PolarHBondContact O-N 3.47Å
339F57.7Low52.7Low146 Ų146114.5 Ų114.564%0.6461%0.607SS**Hα-helixtrans-65.7-42.9175.1-125.7-93.5000112.3V335 K336 D337 G342 F343V335-F339 PolarHBondContact O-N 3.28Å; K336-F339 PolarHBondContact O-N 3.45Å; D337-F339 VanDerWaalsContact C-N 3.31Å; D337-F339 PolarHBondContact O-N 3Å; F339-G342 PolarHBondContact O-N 2.9Å; F339-F343 HydrophobicContact CD1-CD2 4.48Å; F339-F343 HydrophobicContact CD1-CE2 4.4Å; F339-F343 HydrophobicContact CE1-CE2 4.32Å; F339-F343 PolarHBondContact O-N 3.29Å
340S56.9Low52.5Low71 Ų71116 Ų11650%0.49762%0.616SS.*Hα-helixtrans-68.9-42.5-179.4-56.70000111.8K336 D337 G342 F343 Q344K336-S340 WeakPolarHBondContact O-CB 3.48Å; K336-S340 PolarHBondContact O-N 3.24Å; K336-S340 PolarHBondContact O-OG 3Å; D337-S340 PolarHBondContact O-N 3.5Å; S340-G342 VanDerWaalsContact C-N 3.33Å; S340-F343 PolarHBondContact O-N 3.22Å; S340-Q344 PolarHBondContact O-N 3.45Å; S340-Q344 VanDerWaalsContact O-N 3.17Å
341Y53.3Low52.5Low171 Ų171119.6 Ų119.667%0.67163%0.629SS**Hα-helixtrans-67-34.4174.9-164.7-107.1000112.2D337 Q344 K345D337-Y341 VanDerWaalsContact O-CB 3.29Å; D337-Y341 WeakPolarHBondContact O-CB 3.26Å; D337-Y341 PolarHBondContact O-N 3.43Å; Y341-Q344 PolarHBondContact O-N 3.06Å; Y341-K345 PolarHBondContact O-N 2.93Å
342G51.8Low52.3Low40 Ų40129 Ų12941%0.41266%0.656SS.*Hα-helixtrans-59-46.9172.700000112.8V338 F339 S340 K345V338-G342 PolarHBondContact O-N 3.47Å; F339-G342 PolarHBondContact O-N 2.9Å; S340-G342 VanDerWaalsContact C-N 3.33Å; G342-K345 PolarHBondContact O-N 2.91Å
343F50.8Low51.8Low154 Ų154139 Ų13968%0.67568%0.68SS**Hα-helixtrans-66.2-40.2176.9-98.1-89.2000113.1F339 S340 K345 V346 G347F339-F343 HydrophobicContact CD1-CD2 4.48Å; F339-F343 HydrophobicContact CD1-CE2 4.4Å; F339-F343 HydrophobicContact CE1-CE2 4.32Å; F339-F343 PolarHBondContact O-N 3.29Å; S340-F343 PolarHBondContact O-N 3.22Å; F343-K345 PolarHBondContact O-N 3.08Å; F343-V346 PolarHBondContact O-N 3.26Å; F343-V346 VanDerWaalsContact O-N 3.15Å; F343-G347 PolarHBondContact O-N 3.42Å
344Q55.4Low51.1Low152 Ų152142.1 Ų142.171%0.7170%0.697SS**Hα-helixtrans-62.7-26.8-179.6-128.6177.732.700113.3S340 Y341S340-Q344 PolarHBondContact O-N 3.45Å; S340-Q344 VanDerWaalsContact O-N 3.17Å; Y341-Q344 PolarHBondContact O-N 3.06Å
345K52.7Low50.2Low168 Ų168140.5 Ų140.573%0.7370%0.702SS**Hα-helixtrans-84.1-21.7177.8-160.2169.9-177.2178.30114Y341 G342 F343Y341-K345 PolarHBondContact O-N 2.93Å; G342-K345 PolarHBondContact O-N 2.91Å; F343-K345 PolarHBondContact O-N 3.08Å
346V48.2Very low49.1Very low108 Ų108143.4 Ų143.466%0.65571%0.71SS**Hα-helixtrans-83.7-30.9176.7178.10000111.7F343 R348 S349F343-V346 PolarHBondContact O-N 3.26Å; F343-V346 VanDerWaalsContact O-N 3.15Å; V346-R348 PolarHBondContact O-N 3.33Å; V346-S349 PolarHBondContact O-N 3.29Å
347G43Very low48Very low66 Ų66143.3 Ų143.368%0.6873%0.725SS**THydrogen-bonded Turntrans-64.2-9.2-178.900000116.7F343F343-G347 PolarHBondContact O-N 3.42Å
348R47.8Very low46.9Very low240 Ų240146.8 Ų146.891%0.90674%0.738SS**THydrogen-bonded Turntrans-98.95-179.6-95.3-172.2165.6115.9-1.6115.4V346V346-R348 PolarHBondContact O-N 3.33Å
349S48.8Very low45.9Very low102 Ų102149.6 Ų149.671%0.71375%0.745SS**SBendtrans-117.66.6-173.5-170.50000115.1V346V346-S349 PolarHBondContact O-N 3.29Å
350L45.3Very low44.7Very low167 Ų167148.3 Ų148.387%0.87476%0.755SS**  trans-11217.8-172.2-145.390.8000115.3
351E48.6Very low43.5Very low184 Ų184147.9 Ų147.986%0.8676%0.762SS**SBendtrans-102.7144.9162.3-74.6-176.9123.600109.8
352R47.5Very low42.5Very low240 Ų240147.6 Ų147.691%0.90677%0.771SS**  trans74.868-178.9-55.4175.6165.5-97.9-4.6117.2
353R41.2Very low41.4Very low251 Ų251151.6 Ų151.695%0.94779%0.792SS**  -144.368.1127.7-76.3-155.2-179.283.81.4110.6
354N41.5Very low40.5Very low161 Ų161149.1 Ų149.186%0.86180%0.8SS**  trans-120.397.4154.1-170.916.2000105.8
355S33.7Very low39.7Very low97 Ų97146.3 Ų146.368%0.67880%0.802SS**  trans-136.1133.2173.3-82.20000107.9
356E34.4Very low38.8Very low153 Ų153147.8 Ų147.872%0.71581%0.812SS**  trans-35.9147.3171.751.2-94.492.600115.6
357S35.3Very low38Very low122 Ų122146.1 Ų146.185%0.85382%0.817SS**  trans-116.787.1155.764.10000108.7
358E34.7Very low37.4Very low181 Ų181150.7 Ų150.785%0.84683%0.826SS**  trans-66.6134.6161.8-69-170.8111.300109.1
359M35.8Very low36.7Very low167 Ų167142.8 Ų142.882%0.82381%0.811SS**  trans-93.1126.5169.362.893.8-169.700108.6G361M359-G361 PolarHBondContact O-N 3.16Å; M359-G361 VanDerWaalsContact O-N 3.12Å
360S31.9Very low35.9Very low120 Ų120145.1 Ų145.184%0.83982%0.815SS**  trans-65.9109177.3-55.80000110.3
361G32.1Very low35.4Very low62 Ų62145 Ų14564%0.63982%0.815SS**  trans-105.6100165.800000110.3M359 C363M359-G361 PolarHBondContact O-N 3.16Å; M359-G361 VanDerWaalsContact O-N 3.12Å; G361-C363 PolarHBondContact O-N 3.01Å
362D33Very low34.4Very low164 Ų164139.8 Ų139.888%0.87781%0.81SS**  trans-70.1107.8173-71.9-62.4000111
363C28.4Very low33.6Very low125 Ų125131.8 Ų131.885%0.84580%0.802SS**  trans-150.9150.2149.862.90000112.3G361G361-C363 PolarHBondContact O-N 3.01Å
364A31.1Very low33.1Very low101 Ų101125.8 Ų125.884%0.83579%0.793SS**  trans-62.6157.8-16200000116.3
365A37.9Very low32.7Very low93 Ų93123.6 Ų123.677%0.76979%0.786SS**  trans-56.9157.8172.400000114.4
366E33.8Very low32.6Very low200 Ų200125.8 Ų125.894%0.93579%0.79SS**  -176.4151.7129.4-86.5-99.7135.200108.8
367G31.7Very low32.5Very low73 Ų73122.3 Ų122.375%0.75379%0.788SS**  trans94.495.115100000121.1
368D30.3Very low32.4Very low162 Ų162124.4 Ų124.487%0.86679%0.789SS**  73.9109.8122.3-131.821.7000123.6
369A34.3Very low32.3Very low73 Ų73120 Ų12060%0.60378%0.783SS**  62.6138.3124.900000126.3
370L31.9Very low32.2Very low151 Ų151119.8 Ų119.879%0.79178%0.784SS**  trans90.5123.1136.3-111.585000122.2
371L33.4Very low32.4Very low166 Ų166119.3 Ų119.387%0.86978%0.781SS**  trans62.2142.5154-55.8174000119
372G28.6Very low32.2Very low73 Ų73119.9 Ų119.975%0.75379%0.786SS**  cis160.1142.7-6.900000113
373G29.6Very low32Very low72 Ų72116.3 Ų116.374%0.74279%0.789SS**  trans77.5153.7171.500000115.9
374T31.6Very low32Very low126 Ų126113.8 Ų113.877%0.77378%0.784SS**  cis-160.9148.2-1.7430000109.6
375T33.7Very low32.1Very low115 Ų115113.9 Ų113.971%0.70679%0.785SS**  trans48.9142145.6570000120.5
376D30.6Very low31.8Very low142 Ų142115.1 Ų115.176%0.75979%0.788SS**  cis-160.5136-2.4-93.7-34000105.2
377A33.8Very low31.5Very low81 Ų81109.5 Ų109.567%0.66978%0.784SS**  75.7146.475.500000115.9
378L32.9Very low31.4Very low166 Ų166109.2 Ų109.287%0.86978%0.78SS**  trans76.8106.6-179-48.4176.8000115.3
379A31.5Very low31.4Very low87 Ų87108.7 Ų108.772%0.71978%0.783SS**  cis76116.520.100000116.9
380L35Very low31.2Very low164 Ų164109.3 Ų109.386%0.85980%0.797SS**  trans172.5107.6150-92.2151.1000107.5
381S34.5Very low31.2Very low109 Ų109108 Ų10876%0.76280%0.8SS**  74.7139.189.6770000114.7
382G29.4Very low31.2Very low74 Ų74103.9 Ų103.976%0.76379%0.79SS**  cis-146.5169.8-2.900000109.2
383G28.6Very low31.2Very low90 Ų90107 Ų10793%0.92879%0.794SS**  92.7123.769.900000109.6
384G28.1Very low31.1Very low72 Ų72106.8 Ų106.874%0.74279%0.793SS**  cis-172.2-172.5-2.700000110.8
385A32Very low31.1Very low103 Ų103105.7 Ų105.785%0.85180%0.796SS**  trans24.9144.515500000120.7
386S32.5Very low31Very low119 Ų119105.3 Ų105.383%0.83281%0.805SS**  cis-167.6160.915.338.20000106.3
387G27.1Very low31Very low82 Ų82101.5 Ų101.585%0.84580%0.799SS**  cis113.3123.336.400000109.4
388G29.9Very low30.9Very low66 Ų66104.1 Ų104.168%0.6881%0.813SS**  trans12398.2177.600000113.1
389T31.1Very low30.8Very low152 Ų15299.3 Ų99.393%0.93380%0.803SS**  60.3115.975.667.70000115.4
390G29.6Very low30.9Very low86 Ų86101.8 Ų101.889%0.88782%0.815SS**  trans178107.2169.100000113.1
391S32.4Very low30.6Very low124 Ų12497.5 Ų97.587%0.86781%0.81SS**  trans-107138.8176173.90000110.8
392A32.3Very low30.5Very low79 Ų7998.8 Ų98.865%0.65382%0.82SS**  trans-171.8122.8158.600000107.5
393T29.8Very low30.5Very low137 Ų13798.9 Ų98.984%0.8482%0.82SS**  46.7126.672.869.10000112.8
394G27.9Very low30.6Very low69 Ų6998.5 Ų98.571%0.71182%0.816SS**  cis159.2-172.712.400000108.4
395A30.8Very low30.7Very low102 Ų10298.8 Ų98.884%0.84382%0.82SS**  trans71118-176.700000114.7
396A31.8Very low30.9Very low108 Ų10899.2 Ų99.289%0.89382%0.823SS**  76.2137.366.400000113
397G30.1Very low31Very low62 Ų6297 Ų9764%0.63982%0.819SS**  cis168.5166.5-3.400000111.2
398S31.9Very low31.5Very low136 Ų13699.3 Ų99.395%0.95181%0.812SS**  trans62.1148.6175.968.90000117.7
399G30.4Very low31.8Very low65 Ų65104.8 Ų104.867%0.6782%0.818SS**  cis169.4155.9-7.300000112.3
400S33.1Very low32.4Very low139 Ų139105.4 Ų105.497%0.97281%0.807SS**  trans68140.1171.6-55.80000118.2
401G28.8Very low33.1Very low73 Ų73107.7 Ų107.775%0.75380%0.799SS**  cis171.7156.2-9.700000114.2
402S32.7Very low33.3Very low137 Ų137111 Ų11196%0.95880%0.798SS**  trans58.4130.7162.8-1590000120.5
403G29.2Very low33.4Very low75 Ų75111.6 Ų111.677%0.77380%0.797SS**  trans17229.4169.600000122.1
404G31.1Very low34Very low82 Ų82116.3 Ų116.385%0.84580%0.8SS**  trans71137.6153.500000121.9
405G29.6Very low34.1Very low79 Ų79118 Ų11881%0.81480%0.801SS**  trans90.385.8134.600000120.1
406A37.3Very low34.8Very low112 Ų112119 Ų11993%0.92680%0.801SS**  trans32.5108.9143.600000120.2
407G33.4Very low35.2Very low73 Ų73122 Ų12275%0.75380%0.797SS**  trans-147100.2160.100000109.7F409G407-F409 PolarHBondContact O-N 3.49Å
408D38.7Very low35.8Very low130 Ų130124.8 Ų124.870%0.69580%0.804SS**  trans-7685.2-171.1-158.4-0.3000111.4F410D408-F410 HydrophobicContact CB-CD2 4.49Å; D408-F410 HydrophobicContact CB-CE2 4.14Å; D408-F410 PolarHBondContact O-N 3.05Å; D408-F410 VanDerWaalsContact O-N 3.12Å; D408-F410 WeakPolarHBondContact OD2-CE2 3.44Å; D408-F410 VanDerWaalsContact OD2-CZ 3.29Å; D408-F410 WeakPolarHBondContact OD2-CZ 3.43Å
409F35.8Very low36.4Very low181 Ų181127.5 Ų127.579%0.79480%0.798SS**  trans-80.987.4176.7-170.1-94.8000109.3G407 L411G407-F409 PolarHBondContact O-N 3.49Å; F409-L411 VanDerWaalsContact C-N 3.33Å; F409-L411 PolarHBondContact O-N 3.42Å
410F44.4Very low37.5Very low164 Ų164133.8 Ų133.872%0.71981%0.81SS**  trans-5993.6174.3-79.6-84000111.3D408 F412D408-F410 HydrophobicContact CB-CD2 4.49Å; D408-F410 HydrophobicContact CB-CE2 4.14Å; D408-F410 PolarHBondContact O-N 3.05Å; D408-F410 VanDerWaalsContact O-N 3.12Å; D408-F410 WeakPolarHBondContact OD2-CE2 3.44Å; D408-F410 VanDerWaalsContact OD2-CZ 3.29Å; D408-F410 WeakPolarHBondContact OD2-CZ 3.43Å; F410-F412 PolarHBondContact O-N 3.09Å
411L43.3Very low38.7Very low134 Ų134134.9 Ų134.970%0.70280%0.804SS**  trans-60.1116.3165.6-170.173.1000107.6F409 S413F409-L411 VanDerWaalsContact C-N 3.33Å; F409-L411 PolarHBondContact O-N 3.42Å; L411-S413 PolarHBondContact O-N 3.33Å
412F36.3Very low40.3Very low195 Ų195137.5 Ų137.586%0.85580%0.8SS**  trans-73.471.8-177.7-143.8-80.8000110.7F410 R414F410-F412 PolarHBondContact O-N 3.09Å; F412-R414 PolarHBondContact O-N 3.31Å
413S34.3Very low42.1Very low91 Ų91133.5 Ų133.564%0.63677%0.772SS**  trans-56.9118.3168.7-72.60000108.4L411 S415L411-S413 PolarHBondContact O-N 3.33Å; S413-S415 VanDerWaalsContact C-N 3.31Å; S413-S415 PolarHBondContact O-N 3.19Å
414R42.3Very low43.4Very low236 Ų236136.7 Ų136.789%0.89177%0.772SS**  trans-72.883.2-178.1-59171.880.3169.76.1109.4F412F412-R414 PolarHBondContact O-N 3.31Å
415S31.5Very low44.8Very low105 Ų105139.1 Ų139.173%0.73476%0.761SS**  trans-74.8124161.651.70000108.9S413S413-S415 VanDerWaalsContact C-N 3.31Å; S413-S415 PolarHBondContact O-N 3.19Å
416S43.8Very low46.2Very low121 Ų121140.3 Ų140.385%0.84675%0.745SS**  trans-97.396.7173.952.30000109
417E41.1Very low47.7Very low173 Ų173138.2 Ų138.281%0.80872%0.721SS**  trans-129.3152.6174.4-75.5-169.2143.400112.3
418P43.2Very low49.1Very low120 Ų120140.5 Ų140.578%0.77971%0.712SS**  trans-94.7121.4-162.834.9-32.1000113.4E420P418-E420 PolarHBondContact O-N 3.06Å
419K44.9Very low49.9Very low192 Ų192138.9 Ų138.984%0.83570%0.704SS**  trans31.891.1135.8-156166-161.4156.60116L421K419-L421 PolarHBondContact O-N 3.3Å
420E52.6Low51.1Low197 Ų197136.6 Ų136.692%0.92170%0.699SS**PPolyproline II helixtrans-51.8127.1174.8-62-173.3166.700111.8P418P418-E420 PolarHBondContact O-N 3.06Å
421L58.9Low51.7Low162 Ų162134.1 Ų134.185%0.84869%0.693SS**PPolyproline II helixtrans-86.2148.8165.5-64.2171.8000107.9K419 S423K419-L421 PolarHBondContact O-N 3.3Å; L421-S423 PolarHBondContact O-N 3.43Å
422L61.5Low52.3Low128 Ų128134.1 Ų134.167%0.6769%0.692SS**PPolyproline II helixtrans-55.4138.8171.5-64170.4000109.4Q426L422-Q426 VanDerWaalsContact CA-OE1 3.24Å; L422-Q426 HydrophobicContact CB-CB 4.21Å; L422-Q426 VanDerWaalsContact CD2-OE1 3.26Å
423S70.4Confident53Low53 Ų53131 Ų13137%0.37168%0.684SS.*PPolyproline II helixtrans-66.4154.9-179.970.60000110.9L421 E425 Q426 V427L421-S423 PolarHBondContact O-N 3.43Å; S423-E425 PolarHBondContact O-N 3.07Å; S423-E425 VanDerWaalsContact O-N 3.14Å; S423-Q426 WeakPolarHBondContact O-CA 3.44Å; S423-Q426 WeakPolarHBondContact O-CB 3.5Å; S423-Q426 PolarHBondContact O-N 3.25Å; S423-Q426 WeakPolarHBondContact OG-CG 3.43Å; S423-Q426 PolarHBondContact OG-N 3.04Å; S423-V427 PolarHBondContact O-N 3.43Å; S423-V427 VanDerWaalsContact O-N 3.16Å
424D57Low53.9Low143 Ų143130.7 Ų130.777%0.76567%0.673SS**Hα-helixtrans-57.4-31.5178.9-65.5-37.8000111.8V427 E428D424-V427 WeakPolarHBondContact O-CB 3.38Å; D424-V427 PolarHBondContact O-N 3.48Å; D424-E428 WeakPolarHBondContact O-CB 3.47Å; D424-E428 PolarHBondContact O-N 3.47Å
425E61.4Low54.3Low133 Ų133126.2 Ų126.262%0.62167%0.666SS**Hα-helixtrans-64.2-36.2172.3-176-179.8-165.500113.1S423 V427 N429S423-E425 PolarHBondContact O-N 3.07Å; S423-E425 VanDerWaalsContact O-N 3.14Å; E425-V427 VanDerWaalsContact C-N 3.32Å; E425-N429 PolarHBondContact O-N 3.29Å; E425-N429 PolarHBondContact O-ND2 3.41Å
426Q58.5Low55.4Low103 Ų103125.1 Ų125.148%0.48166%0.655SS.*Hα-helixtrans-71.1-29.1174.1-69.8173.2-32.300112L422 S423L422-Q426 VanDerWaalsContact CA-OE1 3.24Å; L422-Q426 HydrophobicContact CB-CB 4.21Å; L422-Q426 VanDerWaalsContact CD2-OE1 3.26Å; S423-Q426 WeakPolarHBondContact O-CA 3.44Å; S423-Q426 WeakPolarHBondContact O-CB 3.5Å; S423-Q426 PolarHBondContact O-N 3.25Å; S423-Q426 WeakPolarHBondContact OG-CG 3.43Å; S423-Q426 PolarHBondContact OG-N 3.04Å
427V67.4Low55.6Low69 Ų69122.3 Ų122.342%0.41863%0.63SS.*Hα-helixtrans-74.3-42.9173.4179.50000110.6S423 D424 E425 L430 L431S423-V427 PolarHBondContact O-N 3.43Å; S423-V427 VanDerWaalsContact O-N 3.16Å; D424-V427 WeakPolarHBondContact O-CB 3.38Å; D424-V427 PolarHBondContact O-N 3.48Å; E425-V427 VanDerWaalsContact C-N 3.32Å; V427-L430 WeakPolarHBondContact O-CB 3.47Å; V427-L430 PolarHBondContact O-N 3.16Å; V427-L430 VanDerWaalsContact O-N 3.13Å; V427-L431 HydrophobicContact CG1-CD1 4.12Å; V427-L431 WeakPolarHBondContact O-CG 3.3Å; V427-L431 PolarHBondContact O-N 3.05Å; V427-L431 VanDerWaalsContact O-N 3.13Å
428E64.7Low56.1Low120 Ų120123.8 Ų123.856%0.56164%0.637SS**Hα-helixtrans-61.9-45.1177.8-173.3168.4-158.600112.1D424 L430 L431 L432D424-E428 WeakPolarHBondContact O-CB 3.47Å; D424-E428 PolarHBondContact O-N 3.47Å; E428-L430 PolarHBondContact O-N 2.9Å; E428-L431 WeakPolarHBondContact O-CB 3.29Å; E428-L431 PolarHBondContact O-N 3.09Å; E428-L432 HydrophobicContact CG-CD1 3.64Å; E428-L432 WeakPolarHBondContact O-CD1 3.37Å; E428-L432 PolarHBondContact O-N 2.89Å
429N54.3Low56.3Low97 Ų97125.3 Ų125.352%0.51964%0.639SS.*Hα-helixtrans-61.5-24.7174.4-80.9-72.8000113.8E425 N433E425-N429 PolarHBondContact O-N 3.29Å; E425-N429 PolarHBondContact O-ND2 3.41Å; N429-N433 PolarHBondContact O-ND2 2.93Å
430L60.3Low56.8Low132 Ų132119 Ų11969%0.69163%0.628SS**Hα-helixtrans-80.4-29.2174.6-14274.8000112.2V427 E428V427-L430 WeakPolarHBondContact O-CB 3.47Å; V427-L430 PolarHBondContact O-N 3.16Å; V427-L430 VanDerWaalsContact O-N 3.13Å; E428-L430 PolarHBondContact O-N 2.9Å
431L57.7Low56.8Low113 Ų113111.9 Ų111.959%0.59260%0.603SS**Hα-helixtrans-76.8-35.9177.9-72.6163.6000112.8V427 E428 N433V427-L431 HydrophobicContact CG1-CD1 4.12Å; V427-L431 WeakPolarHBondContact O-CG 3.3Å; V427-L431 PolarHBondContact O-N 3.05Å; V427-L431 VanDerWaalsContact O-N 3.13Å; E428-L431 WeakPolarHBondContact O-CB 3.29Å; E428-L431 PolarHBondContact O-N 3.09Å; L431-N433 VanDerWaalsContact C-N 3.29Å; L431-N433 PolarHBondContact O-N 3.39Å
432L57.1Low56.6Low133 Ų133108 Ų10870%0.69658%0.582SS**THydrogen-bonded Turntrans-73-12-177.3-89.383.8000115.2E428E428-L432 HydrophobicContact CG-CD1 3.64Å; E428-L432 WeakPolarHBondContact O-CD1 3.37Å; E428-L432 PolarHBondContact O-N 2.89Å
433N49.3Very low55.9Low129 Ų129106.3 Ų106.369%0.6957%0.573SS**THydrogen-bonded Turntrans-95.22.3-173.1-83-66.3000115.2N429 L431N429-N433 PolarHBondContact O-ND2 2.93Å; L431-N433 VanDerWaalsContact C-N 3.29Å; L431-N433 PolarHBondContact O-N 3.39Å
434H53.8Low55Low86 Ų86108.9 Ų108.940%0.39859%0.586SS.*  trans-123.8116.4-176.4-80-61.4000112.6V436 I442H434-V436 PolarHBondContact O-N 2.95Å; H434-I442 HydrophobicContact CB-CG1 4.22Å; H434-I442 HydrophobicContact CB-CG2 3.69Å; H434-I442 VanDerWaalsContact CG-CG2 3.49Å; H434-I442 WeakPolarHBondContact ND1-CG2 3.41Å
435L50.3Low54.4Low142 Ų142109.8 Ų109.874%0.74359%0.586SS**  trans-67.9120.3165.7-72.6164.1000108.6I443L435-I443 PolarHBondContact O-N 3.5Å
436V54Low53.6Low82 Ų82110.9 Ų110.950%0.49759%0.591SS.*BIsolated β-bridgetrans-97.4137.1177.4-172.90000108.2H434 G440 A441 I442H434-V436 PolarHBondContact O-N 2.95Å; V436-G440 VanDerWaalsContact CG1-CA 3.46Å; V436-A441 WeakPolarHBondContact CA-O 3.48Å; V436-A441 WeakPolarHBondContact CG1-O 3.38Å; V436-I442 HydrophobicContact CG2-CG1 4.15Å
437D48.4Very low52.5Low62 Ų62113.8 Ų113.833%0.33261%0.609SS.*  trans-75.3174.3176.672.311.7000113N439 G440 A441 I443D437-N439 PolarHBondContact O-N 2.92Å; D437-N439 WeakPolarHBondContact OD1-CA 3.38Å; D437-N439 WeakPolarHBondContact OD1-CB 3.47Å; D437-N439 PolarHBondContact OD1-N 3.27Å; D437-G440 PolarHBondContact O-N 3.08Å; D437-G440 PolarHBondContact OD1-N 3.48Å; D437-A441 PolarHBondContact N-O 3.38Å; D437-A441 PolarHBondContact OD1-N 3.36Å; D437-I443 HydrophobicContact CB-CD1 4Å; D437-I443 HydrophobicContact CB-CG1 3.99Å
438E51.7Low51.1Low203 Ų203119 Ų11995%0.94963%0.626SS**THydrogen-bonded Turntrans-63-8.5179.6-58-177.8-159.400113.5
439N47.1Very low49.4Very low152 Ų152116.3 Ų116.381%0.81362%0.621SS**THydrogen-bonded Turntrans-106.52.3179-7380.5000113.1D437 A441D437-N439 PolarHBondContact O-N 2.92Å; D437-N439 WeakPolarHBondContact OD1-CA 3.38Å; D437-N439 WeakPolarHBondContact OD1-CB 3.47Å; D437-N439 PolarHBondContact OD1-N 3.27Å; N439-A441 VanDerWaalsContact C-N 3.35Å
440G55.4Low48.4Very low59 Ų59117.8 Ų117.861%0.60864%0.636SS**SBendtrans81.79.7179.900000114.3V436 D437V436-G440 VanDerWaalsContact CG1-CA 3.46Å; D437-G440 PolarHBondContact O-N 3.08Å; D437-G440 PolarHBondContact OD1-N 3.48Å
441A53.5Low47.1Very low49 Ų49116.5 Ų116.541%0.40563%0.633SS.*  trans-89133.9174.900000110.6V436 D437 N439 I443V436-A441 WeakPolarHBondContact CA-O 3.48Å; V436-A441 WeakPolarHBondContact CG1-O 3.38Å; D437-A441 PolarHBondContact N-O 3.38Å; D437-A441 PolarHBondContact OD1-N 3.36Å; N439-A441 VanDerWaalsContact C-N 3.35Å; A441-I443 PolarHBondContact O-N 3.47Å
442I55.4Low46Very low80 Ų80115.1 Ų115.141%0.4163%0.63SS.*BIsolated β-bridgetrans-67.2115.5172.2-72166.4000108.2H434 V436 V444H434-I442 HydrophobicContact CB-CG1 4.22Å; H434-I442 HydrophobicContact CB-CG2 3.69Å; H434-I442 VanDerWaalsContact CG-CG2 3.49Å; H434-I442 WeakPolarHBondContact ND1-CG2 3.41Å; V436-I442 HydrophobicContact CG2-CG1 4.15Å; I442-V444 VanDerWaalsContact C-N 3.33Å; I442-V444 HydrophobicContact CG2-CG2 4.01Å; I442-V444 PolarHBondContact O-N 3.5Å
443I47Very low45Very low92 Ų92113.1 Ų113.147%0.47262%0.623SS.*  trans-71.998165-53.2-179.7000105.9L435 D437 A441 E445L435-I443 PolarHBondContact O-N 3.5Å; D437-I443 HydrophobicContact CB-CD1 4Å; D437-I443 HydrophobicContact CB-CG1 3.99Å; A441-I443 PolarHBondContact O-N 3.47Å; I443-E445 PolarHBondContact O-N 3.37Å
444V49.7Very low44.5Very low108 Ų108112.1 Ų112.166%0.65562%0.622SS**  trans-69.290.8158.9-178.50000105.5I442 E446I442-V444 VanDerWaalsContact C-N 3.33Å; I442-V444 HydrophobicContact CG2-CG2 4.01Å; I442-V444 PolarHBondContact O-N 3.5Å; V444-E446 PolarHBondContact O-N 3.08Å; V444-E446 VanDerWaalsContact O-N 3.07Å
445E46.2Very low43.8Very low162 Ų162111.6 Ų111.676%0.75763%0.628SS**  trans-55.5120.2170.7-161.7178.8-151.400106.7I443 L447I443-E445 PolarHBondContact O-N 3.37Å; E445-L447 VanDerWaalsContact C-N 3.3Å; E445-L447 PolarHBondContact O-N 3.1Å
446E43.8Very low43.4Very low155 Ų155111.6 Ų111.672%0.72463%0.626SS**  trans-66.892.2-169.6-171.1-178.4-139.900108.5V444 K448V444-E446 PolarHBondContact O-N 3.08Å; V444-E446 VanDerWaalsContact O-N 3.07Å; E446-K448 PolarHBondContact O-N 3.17Å
447L35.5Very low42.9Very low165 Ų165116 Ų11686%0.86464%0.635SS**  trans-61.188.6171.9-79.4174.8000107.6E445 S449E445-L447 VanDerWaalsContact C-N 3.3Å; E445-L447 PolarHBondContact O-N 3.1Å; L447-S449 PolarHBondContact O-N 3.4Å
448K37.9Very low42.8Very low177 Ų177119.5 Ų119.577%0.7765%0.649SS**  trans-48.7102.7172.2-78.8141.7179.9158.60108E446E446-K448 PolarHBondContact O-N 3.17Å
449S29.4Very low42.9Very low64 Ų64114.2 Ų114.245%0.44863%0.63SS.*  trans-55.7133.8173.540.30000108.4L447 T451 T452L447-S449 PolarHBondContact O-N 3.4Å; S449-T451 PolarHBondContact O-N 3.07Å; S449-T452 PolarHBondContact O-OG1 3.39Å
450P33.8Very low43.3Very low129 Ų129112.9 Ų112.984%0.83862%0.619SS**THydrogen-bonded Turntrans-73.326.2-176.430.6-36.5000113.4
451T32.7Very low43.7Very low105 Ų105116.7 Ų116.764%0.64462%0.621SS**THydrogen-bonded Turntrans-110.9-11.9-177.344.20000113.7S449 T453S449-T451 PolarHBondContact O-N 3.07Å; T451-T453 VanDerWaalsContact C-N 3.35Å; T451-T453 PolarHBondContact O-N 2.89Å
452T34.5Very low44.3Very low83 Ų83119.2 Ų119.251%0.50962%0.624SS.*Hα-helixtrans-78.8-13.5-174.5-250000114.2S449S449-T452 PolarHBondContact O-OG1 3.39Å
453T35.5Very low45.2Very low91 Ų91121 Ų12156%0.55863%0.631SS**Hα-helixtrans-70.2-45.1-177.3-20.90000112.1T451 S455 Y457T451-T453 VanDerWaalsContact C-N 3.35Å; T451-T453 PolarHBondContact O-N 2.89Å; T453-S455 PolarHBondContact O-N 3.02Å; T453-Y457 HydrophobicContact CG2-CE2 4.31Å; T453-Y457 WeakPolarHBondContact O-CD2 3.35Å
454T39.4Very low46.4Very low108 Ų108122.5 Ų122.566%0.66364%0.636SS**Hα-helixtrans-68.7-32.4-173.2-49.70000113.3M456 Y457 H458T454-M456 PolarHBondContact O-N 3.22Å; T454-Y457 PolarHBondContact O-N 3.01Å; T454-H458 PolarHBondContact O-N 3.23Å
455S38.8Very low47.7Very low76 Ų76122.9 Ų122.953%0.53163%0.631SS.*Hα-helixtrans-67.7-37-176.2-177.20000113T453 T459T453-S455 PolarHBondContact O-N 3.02Å; S455-T459 PolarHBondContact O-N 3.49Å; S455-T459 PolarHBondContact O-OG1 3.4Å
456M41.3Very low49.2Very low141 Ų141120 Ų12070%0.69562%0.617SS**Hα-helixtrans-70.5-38177.3-74.1-155.1-78.600112.9T454 H458 H460T454-M456 PolarHBondContact O-N 3.22Å; M456-H458 PolarHBondContact O-N 3.49Å; M456-H460 WeakPolarHBondContact O-CB 3.45Å; M456-H460 PolarHBondContact O-N 3.07Å
457Y44.1Very low50.9Low175 Ų175118.4 Ų118.469%0.68661%0.609SS**Hα-helixtrans-65-38.4176.1-78.6-75.6000112.6T453 T454 H460 Q461T453-Y457 HydrophobicContact CG2-CE2 4.31Å; T453-Y457 WeakPolarHBondContact O-CD2 3.35Å; T454-Y457 PolarHBondContact O-N 3.01Å; Y457-H460 PolarHBondContact O-N 3.21Å; Y457-Q461 PolarHBondContact O-N 3.35Å
458H45.3Very low53.1Low136 Ų136117.1 Ų117.163%0.6360%0.599SS**Hα-helixtrans-69.8-42.5-179.7-153.872.3000112.5T454 M456 H460 Q461 H462T454-H458 PolarHBondContact O-N 3.23Å; M456-H458 PolarHBondContact O-N 3.49Å; H458-H460 VanDerWaalsContact C-N 3.34Å; H458-H460 PolarHBondContact O-N 3.44Å; H458-Q461 PolarHBondContact O-N 3.45Å; H458-H462 PolarHBondContact O-N 3.43Å
459T53.6Low55.1Low91 Ų91114.3 Ų114.356%0.55859%0.589SS**Hα-helixtrans-61.3-42.1173.4-630000111.7S455 H462 Q463S455-T459 PolarHBondContact O-N 3.49Å; S455-T459 PolarHBondContact O-OG1 3.4Å; T459-H462 PolarHBondContact O-N 2.97Å; T459-Q463 WeakPolarHBondContact O-CB 3.48Å; T459-Q463 PolarHBondContact O-N 2.91Å; T459-Q463 VanDerWaalsContact O-N 3.07Å
460H57.3Low57.6Low124 Ų124117 Ų11757%0.57459%0.594SS**Hα-helixtrans-69.3-40-178.8-153.964.7000112.4M456 Y457 H458 Q464M456-H460 WeakPolarHBondContact O-CB 3.45Å; M456-H460 PolarHBondContact O-N 3.07Å; Y457-H460 PolarHBondContact O-N 3.21Å; H458-H460 VanDerWaalsContact C-N 3.34Å; H458-H460 PolarHBondContact O-N 3.44Å; H460-Q464 WeakPolarHBondContact O-CB 3.26Å; H460-Q464 PolarHBondContact O-N 3.29Å
461Q62.5Low59.9Low139 Ų139117.1 Ų117.165%0.6558%0.584SS**Hα-helixtrans-62.6-45.2172.3-98.1-156.9-800112.4Y457 H458 Q463 Q464 Q465Y457-Q461 PolarHBondContact O-N 3.35Å; H458-Q461 PolarHBondContact O-N 3.45Å; Q461-Q463 VanDerWaalsContact C-N 3.32Å; Q461-Q463 PolarHBondContact O-N 3.48Å; Q461-Q464 PolarHBondContact O-N 3.27Å; Q461-Q465 WeakPolarHBondContact O-CB 3.23Å; Q461-Q465 PolarHBondContact O-N 2.91Å
462H67.1Low62.3Low102 Ų102116.6 Ų116.647%0.47258%0.577SS.*Hα-helixtrans-62.9-40-178.9-165.377.7000111.8H458 T459 Q465 Q466H458-H462 PolarHBondContact O-N 3.43Å; T459-H462 PolarHBondContact O-N 2.97Å; H462-Q465 PolarHBondContact O-N 3.16Å; H462-Q466 PolarHBondContact CD2-NE2 3.49Å; H462-Q466 PolarHBondContact NE2-NE2 3.28Å; H462-Q466 PolarHBondContact O-N 3.15Å; H462-Q466 VanDerWaalsContact O-N 3.07Å
463Q72.9Confident64.6Low119 Ų119118.6 Ų118.656%0.55658%0.581SS**Hα-helixtrans-68-37.5176.2-169.2165.355.800112.7T459 Q461 Q467T459-Q463 WeakPolarHBondContact O-CB 3.48Å; T459-Q463 PolarHBondContact O-N 2.91Å; T459-Q463 VanDerWaalsContact O-N 3.07Å; Q461-Q463 VanDerWaalsContact C-N 3.32Å; Q461-Q463 PolarHBondContact O-N 3.48Å; Q463-Q467 PolarHBondContact O-N 3.2Å
464Q73.3Confident66.8Low122 Ų122119.8 Ų119.857%0.5758%0.58SS**Hα-helixtrans-68.2-38175.6-167.716860.300111.9H460 Q461 Q467 Q468H460-Q464 WeakPolarHBondContact O-CB 3.26Å; H460-Q464 PolarHBondContact O-N 3.29Å; Q461-Q464 PolarHBondContact O-N 3.27Å; Q464-Q467 PolarHBondContact O-N 3.16Å; Q464-Q468 PolarHBondContact O-N 2.87Å; Q464-Q468 VanDerWaalsContact O-N 3.08Å
465Q76.6Confident68.8Low117 Ų117120.2 Ų120.255%0.54757%0.574SS.*Hα-helixtrans-67.3-38.5176.5-163.7172.75900112.1Q461 H462 Q468 Q469Q461-Q465 WeakPolarHBondContact O-CB 3.23Å; Q461-Q465 PolarHBondContact O-N 2.91Å; H462-Q465 PolarHBondContact O-N 3.16Å; Q465-Q468 PolarHBondContact O-N 3.42Å; Q465-Q469 PolarHBondContact O-N 2.81Å
466Q78.3Confident70.8Confident100 Ų100123.3 Ų123.347%0.46758%0.578SS.*Hα-helixtrans-63.8-43.1172.9-74.6-171.613.200112.7H462 Q468 Q469 Q470H462-Q466 PolarHBondContact CD2-NE2 3.49Å; H462-Q466 PolarHBondContact NE2-NE2 3.28Å; H462-Q466 PolarHBondContact O-N 3.15Å; H462-Q466 VanDerWaalsContact O-N 3.07Å; Q466-Q468 VanDerWaalsContact C-N 3.31Å; Q466-Q468 PolarHBondContact O-N 3.43Å; Q466-Q469 PolarHBondContact O-N 3.04Å; Q466-Q470 PolarHBondContact O-N 2.99Å; Q466-Q470 VanDerWaalsContact O-N 3.09Å
467Q79.3Confident72.6Confident122 Ų122122.4 Ų122.457%0.5757%0.572SS**Hα-helixtrans-61.5-40.1175.5-76.7-171.54.700112.1Q463 Q464 Q470 Q471Q463-Q467 PolarHBondContact O-N 3.2Å; Q464-Q467 PolarHBondContact O-N 3.16Å; Q467-Q470 PolarHBondContact O-N 3.26Å; Q467-Q471 PolarHBondContact O-N 3.14Å; Q467-Q471 VanDerWaalsContact O-N 3.1Å
468Q80.9Confident74.2Confident138 Ų138120.2 Ų120.265%0.64557%0.568SS**Hα-helixtrans-68-35.9179.7-160.1167.763.600112.1Q464 Q465 Q466 N472Q464-Q468 PolarHBondContact O-N 2.87Å; Q464-Q468 VanDerWaalsContact O-N 3.08Å; Q465-Q468 PolarHBondContact O-N 3.42Å; Q466-Q468 VanDerWaalsContact C-N 3.31Å; Q466-Q468 PolarHBondContact O-N 3.43Å; Q468-N472 WeakPolarHBondContact O-CB 3.26Å; Q468-N472 PolarHBondContact O-N 3.07Å
469Q81.3Confident75.7Confident118 Ų118119.5 Ų119.555%0.55157%0.565SS**Hα-helixtrans-64.7-41.5171.6-72.4-173.913.500112.6Q465 Q466 N472 Q473Q465-Q469 PolarHBondContact O-N 2.81Å; Q466-Q469 PolarHBondContact O-N 3.04Å; Q469-N472 PolarHBondContact O-N 2.73Å; Q469-Q473 PolarHBondContact O-N 2.79Å
470Q81.9Confident76.7Confident121 Ų121122.4 Ų122.457%0.56557%0.57SS**Hα-helixtrans-63.3-43.2177.7-72.4-174.312.400112.6Q466 Q467 N472 Q473 Q474Q466-Q470 PolarHBondContact O-N 2.99Å; Q466-Q470 VanDerWaalsContact O-N 3.09Å; Q467-Q470 PolarHBondContact O-N 3.26Å; Q470-N472 VanDerWaalsContact C-N 3.31Å; Q470-N472 PolarHBondContact O-N 3.39Å; Q470-Q473 PolarHBondContact O-N 2.98Å; Q470-Q474 PolarHBondContact O-N 3.08Å; Q470-Q474 VanDerWaalsContact O-N 3.08Å
471Q81.3Confident77.4Confident131 Ų131122.6 Ų122.661%0.61257%0.571SS**Hα-helixtrans-61.3-40.3175.7-71.6-174.35.500112.1Q467 Q473 Q474 Q475Q467-Q471 PolarHBondContact O-N 3.14Å; Q467-Q471 VanDerWaalsContact O-N 3.1Å; Q471-Q473 PolarHBondContact O-N 3.31Å; Q471-Q474 PolarHBondContact O-N 3.17Å; Q471-Q475 PolarHBondContact O-N 3.27Å
472N83.4Confident77.6Confident94 Ų94121.7 Ų121.750%0.50357%0.567SS.*Hα-helixtrans-69.1-33.7-179.3-143.1-13.5000112.1Q468 Q469 Q470 K476Q468-N472 WeakPolarHBondContact O-CB 3.26Å; Q468-N472 PolarHBondContact O-N 3.07Å; Q469-N472 PolarHBondContact O-N 2.73Å; Q470-N472 VanDerWaalsContact C-N 3.31Å; Q470-N472 PolarHBondContact O-N 3.39Å; N472-K476 PolarHBondContact O-N 2.9Å; N472-K476 VanDerWaalsContact O-N 3.16Å
473Q82Confident77.5Confident126 Ų126122.4 Ų122.459%0.58957%0.57SS**Hα-helixtrans-66.9-41.3170.8-70.8-17127.200112.4Q469 Q470 Q471 K476 Q477Q469-Q473 PolarHBondContact O-N 2.79Å; Q470-Q473 PolarHBondContact O-N 2.98Å; Q471-Q473 PolarHBondContact O-N 3.31Å; Q473-K476 PolarHBondContact O-N 3.44Å; Q473-Q477 PolarHBondContact O-N 3.49Å
474Q82.3Confident77.2Confident115 Ų115122.8 Ų122.854%0.53757%0.572SS.*Hα-helixtrans-64-41.8176.8-70.8-177.216.300112.2Q470 Q471 K476 Q477 Q478Q470-Q474 PolarHBondContact O-N 3.08Å; Q470-Q474 VanDerWaalsContact O-N 3.08Å; Q471-Q474 PolarHBondContact O-N 3.17Å; Q474-K476 PolarHBondContact O-N 3.27Å; Q474-Q477 PolarHBondContact O-N 3.43Å; Q474-Q478 PolarHBondContact O-N 3.36Å
475Q80.8Confident76.5Confident118 Ų118119.5 Ų119.555%0.55157%0.566SS**Hα-helixtrans-61.4-41.9173.7-78.4-169.3-5.300112.4Q471 Q477 Q478 Q479Q471-Q475 PolarHBondContact O-N 3.27Å; Q475-Q477 VanDerWaalsContact C-N 3.33Å; Q475-Q477 PolarHBondContact O-N 3.4Å; Q475-Q478 PolarHBondContact O-N 3.07Å; Q475-Q479 WeakPolarHBondContact O-CG 3.37Å; Q475-Q479 PolarHBondContact O-N 3.25Å
476K80.7Confident75.7Confident140 Ų140118.8 Ų118.861%0.60957%0.565SS**Hα-helixtrans-62.8-36174.7-80.3-177.1174.2-179.90112.9N472 Q473 Q474 K480N472-K476 PolarHBondContact O-N 2.9Å; N472-K476 VanDerWaalsContact O-N 3.16Å; Q473-K476 PolarHBondContact O-N 3.44Å; Q474-K476 PolarHBondContact O-N 3.27Å; K476-K480 WeakPolarHBondContact O-CG 3.46Å; K476-K480 PolarHBondContact O-N 2.75Å
477Q79.7Confident74.7Confident123 Ų123119.6 Ų119.658%0.57557%0.573SS**Hα-helixtrans-67.5-43.6173.5-74.7-173.4-0.700112.1Q473 Q474 Q475 Q479 K480 Q481Q473-Q477 PolarHBondContact O-N 3.49Å; Q474-Q477 PolarHBondContact O-N 3.43Å; Q475-Q477 VanDerWaalsContact C-N 3.33Å; Q475-Q477 PolarHBondContact O-N 3.4Å; Q477-Q479 PolarHBondContact O-N 3.06Å; Q477-K480 PolarHBondContact O-N 3.34Å; Q477-Q481 WeakPolarHBondContact O-CG 3.47Å; Q477-Q481 PolarHBondContact O-N 3.46Å
478Q78.3Confident73.7Confident128 Ų128118.2 Ų118.260%0.59857%0.572SS**Hα-helixtrans-62.9-42.1176.3-69.8-178.521.400112.1Q474 Q475 K480 Q481 H482Q474-Q478 PolarHBondContact O-N 3.36Å; Q475-Q478 PolarHBondContact O-N 3.07Å; Q478-K480 VanDerWaalsContact C-N 3.35Å; Q478-K480 PolarHBondContact O-N 2.85Å; Q478-Q481 PolarHBondContact O-N 3.18Å; Q478-H482 WeakPolarHBondContact O-CB 3.48Å; Q478-H482 PolarHBondContact O-N 3.05Å
479Q76.8Confident72.5Confident121 Ų121115.8 Ų115.857%0.56557%0.566SS**Hα-helixtrans-63.5-37.5174.5-73.8-175.42.800112.8Q475 Q477 H482 H483Q475-Q479 WeakPolarHBondContact O-CG 3.37Å; Q475-Q479 PolarHBondContact O-N 3.25Å; Q477-Q479 PolarHBondContact O-N 3.06Å; Q479-H482 PolarHBondContact O-N 3.07Å; Q479-H483 PolarHBondContact O-N 2.87Å; Q479-H483 PolarHBondContact O-ND1 2.71Å
480K74.3Confident71.2Confident153 Ų153111.9 Ų111.967%0.66556%0.558SS**Hα-helixtrans-65.3-43.6173-83-172.5173.2-173.50112.1K476 Q477 Q478 H482 H483 Q484K476-K480 WeakPolarHBondContact O-CG 3.46Å; K476-K480 PolarHBondContact O-N 2.75Å; Q477-K480 PolarHBondContact O-N 3.34Å; Q478-K480 VanDerWaalsContact C-N 3.35Å; Q478-K480 PolarHBondContact O-N 2.85Å; K480-H482 VanDerWaalsContact C-N 3.33Å; K480-H482 PolarHBondContact O-N 3.26Å; K480-H483 PolarHBondContact O-N 3.01Å; K480-Q484 WeakPolarHBondContact O-CB 3.48Å; K480-Q484 WeakPolarHBondContact O-CG 3.41Å; K480-Q484 PolarHBondContact O-N 3.13Å
481Q71.3Confident69.9Low127 Ų127109.7 Ų109.759%0.59356%0.561SS**Hα-helixtrans-63.3-39.4175.1-73-178.70.300111.7Q477 Q478 Q484 A485Q477-Q481 WeakPolarHBondContact O-CG 3.47Å; Q477-Q481 PolarHBondContact O-N 3.46Å; Q478-Q481 PolarHBondContact O-N 3.18Å; Q481-Q484 PolarHBondContact O-N 3.41Å; Q481-A485 WeakPolarHBondContact O-CB 3.17Å; Q481-A485 PolarHBondContact O-N 3.13Å
482H66.8Low68.5Low120 Ų120110.1 Ų110.156%0.55657%0.567SS**Hα-helixtrans-68-37.2176.8-155.5-63.6000112.5Q478 Q479 K480 L486Q478-H482 WeakPolarHBondContact O-CB 3.48Å; Q478-H482 PolarHBondContact O-N 3.05Å; Q479-H482 PolarHBondContact O-N 3.07Å; K480-H482 VanDerWaalsContact C-N 3.33Å; K480-H482 PolarHBondContact O-N 3.26Å; H482-L486 WeakPolarHBondContact ND1-CD1 3.38Å; H482-L486 WeakPolarHBondContact O-CB 3.24Å; H482-L486 VanDerWaalsContact O-CG 3.26Å; H482-L486 WeakPolarHBondContact O-CG 3.4Å; H482-L486 PolarHBondContact O-N 3.04Å
483H66.3Low66.9Low118 Ų118112.3 Ų112.355%0.54658%0.578SS.*Hα-helixtrans-67.5-40.5171.5-82.678.6000112.3Q479 K480 L486 N487Q479-H483 PolarHBondContact O-N 2.87Å; Q479-H483 PolarHBondContact O-ND1 2.71Å; K480-H483 PolarHBondContact O-N 3.01Å; H483-L486 PolarHBondContact O-N 2.86Å; H483-N487 WeakPolarHBondContact O-CB 3.47Å; H483-N487 VanDerWaalsContact O-CG 3.25Å; H483-N487 PolarHBondContact O-N 2.8Å
484Q64.9Low65Low126 Ų126118.5 Ų118.559%0.58960%0.603SS**Hα-helixtrans-64-42.4175-75.7177.5-1800111.5K480 Q481 N487 V488K480-Q484 WeakPolarHBondContact O-CB 3.48Å; K480-Q484 WeakPolarHBondContact O-CG 3.41Å; K480-Q484 PolarHBondContact O-N 3.13Å; Q481-Q484 PolarHBondContact O-N 3.41Å; Q484-N487 PolarHBondContact O-N 2.92Å; Q484-V488 WeakPolarHBondContact O-CB 3.49Å; Q484-V488 VanDerWaalsContact O-CG2 3.28Å; Q484-V488 WeakPolarHBondContact O-CG2 3.41Å; Q484-V488 PolarHBondContact O-N 2.89Å
485A59.6Low64.2Low54 Ų54118.7 Ų118.745%0.44661%0.606SS.*Hα-helixtrans-62-44.617500000112Q481 V488 V489Q481-A485 WeakPolarHBondContact O-CB 3.17Å; Q481-A485 PolarHBondContact O-N 3.13Å; A485-V488 PolarHBondContact O-N 3.18Å; A485-V489 WeakPolarHBondContact O-CG2 3.47Å; A485-V489 PolarHBondContact O-N 3.46Å
486L58.9Low63.3Low101 Ų101118.7 Ų118.753%0.52961%0.609SS.*Hα-helixtrans-64.3-39.8176.1-72.8170.2000112.4H482 H483 V489 G490H482-L486 WeakPolarHBondContact ND1-CD1 3.38Å; H482-L486 WeakPolarHBondContact O-CB 3.24Å; H482-L486 VanDerWaalsContact O-CG 3.26Å; H482-L486 WeakPolarHBondContact O-CG 3.4Å; H482-L486 PolarHBondContact O-N 3.04Å; H483-L486 PolarHBondContact O-N 2.86Å; L486-V489 PolarHBondContact O-N 2.85Å; L486-G490 PolarHBondContact O-N 2.95Å
487N57.6Low62.3Low118 Ų118117.6 Ų117.663%0.63161%0.609SS**Hα-helixtrans-67.8-38.2176.3-73.3-3.2000112.3H483 Q484 G490 A491H483-N487 WeakPolarHBondContact O-CB 3.47Å; H483-N487 VanDerWaalsContact O-CG 3.25Å; H483-N487 PolarHBondContact O-N 2.8Å; Q484-N487 PolarHBondContact O-N 2.92Å; N487-G490 PolarHBondContact O-N 3.05Å; N487-A491 WeakPolarHBondContact O-CB 3.33Å; N487-A491 PolarHBondContact O-N 3Å
488V58.4Low61.3Low93 Ų93117.2 Ų117.256%0.56461%0.611SS**Hα-helixtrans-68.5-38.4175.9169.90000111.5Q484 A485 A491 L492Q484-V488 WeakPolarHBondContact O-CB 3.49Å; Q484-V488 VanDerWaalsContact O-CG2 3.28Å; Q484-V488 WeakPolarHBondContact O-CG2 3.41Å; Q484-V488 PolarHBondContact O-N 2.89Å; A485-V488 PolarHBondContact O-N 3.18Å; V488-A491 PolarHBondContact O-N 2.92Å; V488-L492 PolarHBondContact O-N 3.35Å
489V56.9Low60.3Low86 Ų86116.6 Ų116.652%0.52161%0.612SS.*Hα-helixtrans-70-37.5174.2172.50000111.5A485 L486 L492A485-V489 WeakPolarHBondContact O-CG2 3.47Å; A485-V489 PolarHBondContact O-N 3.46Å; L486-V489 PolarHBondContact O-N 2.85Å; V489-L492 PolarHBondContact O-N 3.32Å
490G54.2Low59.2Low37 Ų37116.3 Ų116.338%0.38162%0.615SS.*Hα-helixtrans-64.3-36.8174.100000113.4L486 N487 L492 L493L486-G490 PolarHBondContact O-N 2.95Å; N487-G490 PolarHBondContact O-N 3.05Å; G490-L492 PolarHBondContact O-N 3.28Å; G490-L493 PolarHBondContact O-N 3.01Å
491A53.8Low58.1Low75 Ų75113.6 Ų113.662%0.6261%0.612SS**THydrogen-bonded Turntrans-74.9-2.517600000114.6N487 V488N487-A491 WeakPolarHBondContact O-CB 3.33Å; N487-A491 PolarHBondContact O-N 3Å; V488-A491 PolarHBondContact O-N 2.92Å
492L51.2Low57.1Low140 Ų140112.6 Ų112.673%0.73361%0.613SS**THydrogen-bonded Turntrans-106.14.1174.4-91.2159.2000112.9V488 V489 G490V488-L492 PolarHBondContact O-N 3.35Å; V489-L492 PolarHBondContact O-N 3.32Å; G490-L492 PolarHBondContact O-N 3.28Å
493L49.3Very low56.3Low140 Ų140112 Ų11273%0.73362%0.618SS**  trans-120.29.1-177.5-95.5158.4000113.7G490G490-L493 PolarHBondContact O-N 3.01Å
494F43.9Very low55.3Low256 Ų256111.5 Ų111.5100%1.12363%0.625SS**  trans-123.90166-89.7-84.6000109.2

Retrieved 494 of 494 residues in 113.5 ms (Link to these results)