A0A096MBZ8_POEFO Loading...

Centrosomal protein 126

AlphaFold DB , UniProt , Accession A0A096MBZ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 938 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
1M52.8Low57.5Low194 Ų194126.7 Ų126.796%0.95664%0.643SS**  0-70.80-67.7-55.2-98.400112.2T3 L4M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 3.47Å; M1-T3 VanDerWaalsContact O-N 3.09Å; M1-L4 PolarHBondContact O-N 3.42Å
2Q53.6Low57.7Low167 Ų167125.3 Ų125.378%0.7864%0.637SS**Hα-helixtrans-50.1-39.2-174.3-70.9167.9-21.700115L4 Q5 A6Q2-L4 VanDerWaalsContact C-N 3.33Å; Q2-L4 PolarHBondContact O-N 3.21Å; Q2-Q5 PolarHBondContact O-N 3.05Å; Q2-A6 PolarHBondContact O-N 3.49Å; Q2-A6 VanDerWaalsContact O-N 3.11Å
3T56Low57.6Low103 Ų103127.5 Ų127.563%0.63264%0.64SS**Hα-helixtrans-59.6-35.5177.645.60000114.4M1 N7M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 3.47Å; M1-T3 VanDerWaalsContact O-N 3.09Å; T3-N7 PolarHBondContact O-N 3.27Å
4L56.9Low57.7Low103 Ų103123.4 Ų123.454%0.53963%0.629SS.*Hα-helixtrans-70.7-40.5176.2-71.4167.5000111.1M1 Q2 A6 N7 F8M1-L4 PolarHBondContact O-N 3.42Å; Q2-L4 VanDerWaalsContact C-N 3.33Å; Q2-L4 PolarHBondContact O-N 3.21Å; L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 3.44Å; L4-N7 PolarHBondContact O-N 2.98Å; L4-F8 VanDerWaalsContact O-CD2 3.31Å; L4-F8 WeakPolarHBondContact O-CD2 3.35Å; L4-F8 PolarHBondContact O-N 3.31Å
5Q56.7Low57.7Low147 Ų147126.1 Ų126.169%0.68763%0.634SS**Hα-helixtrans-64.2-37.7179.9-167.11754.600111.9Q2 S9Q2-Q5 PolarHBondContact O-N 3.05Å; Q5-S9 WeakPolarHBondContact O-CB 3.2Å; Q5-S9 PolarHBondContact O-N 2.77Å; Q5-S9 VanDerWaalsContact O-N 3.07Å
6A59.2Low57.4Low56 Ų56127.9 Ų127.946%0.46364%0.637SS.*Hα-helixtrans-61.2-46.9171.900000112.1Q2 L4 F8 S9 Y10Q2-A6 PolarHBondContact O-N 3.49Å; Q2-A6 VanDerWaalsContact O-N 3.11Å; L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 3.44Å; A6-F8 PolarHBondContact O-N 2.9Å; A6-S9 WeakPolarHBondContact O-CB 3.22Å; A6-S9 PolarHBondContact O-N 3.41Å; A6-Y10 PolarHBondContact O-N 3.41Å
7N58.6Low57.4Low110 Ų110123.6 Ų123.659%0.58863%0.633SS**Hα-helixtrans-64.2-41.1-179.6-69.7-10.9000112.5T3 L4 Y10 L11T3-N7 PolarHBondContact O-N 3.27Å; L4-N7 PolarHBondContact O-N 2.98Å; N7-Y10 PolarHBondContact O-N 2.81Å; N7-L11 PolarHBondContact O-N 3.5Å; N7-L11 VanDerWaalsContact O-N 3.08Å
8F59.5Low57.4Low138 Ų138126.2 Ų126.261%0.60564%0.635SS**Hα-helixtrans-63.3-42.4173.2-84.1-71.9000112.4L4 A6 Y10 L11 L12L4-F8 VanDerWaalsContact O-CD2 3.31Å; L4-F8 WeakPolarHBondContact O-CD2 3.35Å; L4-F8 PolarHBondContact O-N 3.31Å; A6-F8 PolarHBondContact O-N 2.9Å; F8-Y10 VanDerWaalsContact C-N 3.33Å; F8-Y10 PolarHBondContact O-N 2.8Å; F8-L11 PolarHBondContact O-N 2.96Å; F8-L12 VanDerWaalsContact O-CD1 3.23Å; F8-L12 WeakPolarHBondContact O-CD1 3.28Å; F8-L12 PolarHBondContact O-N 3.38Å
9S59.8Low57.6Low60 Ų60123.5 Ų123.542%0.4263%0.626SS.*Hα-helixtrans-59.2-42.5176.4-173.10000112.1Q5 A6 L12 K13Q5-S9 WeakPolarHBondContact O-CB 3.2Å; Q5-S9 PolarHBondContact O-N 2.77Å; Q5-S9 VanDerWaalsContact O-N 3.07Å; A6-S9 WeakPolarHBondContact O-CB 3.22Å; A6-S9 PolarHBondContact O-N 3.41Å; S9-L12 PolarHBondContact O-N 3.5Å; S9-K13 WeakPolarHBondContact O-CG 3.28Å; S9-K13 PolarHBondContact O-N 2.99Å
10Y60.2Low58Low190 Ų190119.3 Ų119.375%0.74561%0.614SS**Hα-helixtrans-65.2-40.3176.9-138-85.5000112.3A6 N7 F8 S14A6-Y10 PolarHBondContact O-N 3.41Å; N7-Y10 PolarHBondContact O-N 2.81Å; F8-Y10 VanDerWaalsContact C-N 3.33Å; F8-Y10 PolarHBondContact O-N 2.8Å; Y10-S14 VanDerWaalsContact O-CB 3.31Å; Y10-S14 WeakPolarHBondContact O-CB 3.48Å; Y10-S14 PolarHBondContact O-N 3.26Å
11L59Low58.9Low126 Ų126117.4 Ų117.466%0.6661%0.605SS**Hα-helixtrans-64.8-42.5178-133.176000112.4N7 F8 K15N7-L11 PolarHBondContact O-N 3.5Å; N7-L11 VanDerWaalsContact O-N 3.08Å; F8-L11 PolarHBondContact O-N 2.96Å; L11-K15 WeakPolarHBondContact O-CB 3.46Å; L11-K15 PolarHBondContact O-N 3.39Å; L11-K15 VanDerWaalsContact O-N 3.1Å
12L59.7Low60.3Low109 Ų109113.2 Ų113.257%0.57159%0.586SS**Hα-helixtrans-67.7-43.9177.3-89.578.6000111.9F8 S9 K15 F16F8-L12 VanDerWaalsContact O-CD1 3.23Å; F8-L12 WeakPolarHBondContact O-CD1 3.28Å; F8-L12 PolarHBondContact O-N 3.38Å; S9-L12 PolarHBondContact O-N 3.5Å; L12-K15 PolarHBondContact O-N 3.2Å; L12-F16 PolarHBondContact O-N 3.09Å
13K56.8Low61.9Low155 Ų155108.7 Ų108.767%0.67457%0.565SS**Hα-helixtrans-62.8-42.8177.4-73.9-176.4178.8-173.40112.2S9 K15 F16 G17S9-K13 WeakPolarHBondContact O-CG 3.28Å; S9-K13 PolarHBondContact O-N 2.99Å; K13-K15 VanDerWaalsContact C-N 3.33Å; K13-K15 PolarHBondContact O-N 3.1Å; K13-F16 PolarHBondContact O-N 2.95Å; K13-G17 PolarHBondContact O-N 3.05Å; K13-G17 VanDerWaalsContact O-N 3.11Å
14S59Low63.5Low69 Ų69108.7 Ų108.748%0.48356%0.561SS.*Hα-helixtrans-57-46.1173.2-178.70000111.6Y10 F16 G17 Y18Y10-S14 VanDerWaalsContact O-CB 3.31Å; Y10-S14 WeakPolarHBondContact O-CB 3.48Å; Y10-S14 PolarHBondContact O-N 3.26Å; S14-F16 PolarHBondContact O-N 2.8Å; S14-G17 PolarHBondContact O-N 3.2Å; S14-Y18 WeakPolarHBondContact O-CD2 3.46Å
15K57.1Low65.1Low164 Ų164108.5 Ų108.571%0.71356%0.557SS**Hα-helixtrans-66.1-35.2-179.5-158.7171-174.6178.30113.4L11 L12 K13L11-K15 WeakPolarHBondContact O-CB 3.46Å; L11-K15 PolarHBondContact O-N 3.39Å; L11-K15 VanDerWaalsContact O-N 3.1Å; L12-K15 PolarHBondContact O-N 3.2Å; K13-K15 VanDerWaalsContact C-N 3.33Å; K13-K15 PolarHBondContact O-N 3.1Å
16F54.2Low66.9Low156 Ų156108.6 Ų108.668%0.68455%0.552SS**Hα-helixtrans-72.3-31.5175.2-100.9-88.8000113.8L12 K13 S14 Y18 T19L12-F16 PolarHBondContact O-N 3.09Å; K13-F16 PolarHBondContact O-N 2.95Å; S14-F16 PolarHBondContact O-N 2.8Å; F16-Y18 VanDerWaalsContact C-N 3.27Å; F16-Y18 PolarHBondContact O-N 3.29Å; F16-T19 PolarHBondContact O-N 2.89Å; F16-T19 VanDerWaalsContact O-N 3.15Å; F16-T19 PolarHBondContact O-OG1 2.74Å
17G57.3Low68.6Low54 Ų54110.7 Ų110.756%0.55755%0.552SS**Hα-helixtrans-57.7-39.2176.400000113K13 S14K13-G17 PolarHBondContact O-N 3.05Å; K13-G17 VanDerWaalsContact O-N 3.11Å; S14-G17 PolarHBondContact O-N 3.2Å
18Y56.2Low70.4Confident170 Ų170110.1 Ų110.167%0.66755%0.545SS*.Hα-helixtrans-70.2-30.7177.2-80.5-89.7000113.8S14 F16 G20 N21 L22S14-Y18 WeakPolarHBondContact O-CD2 3.46Å; F16-Y18 VanDerWaalsContact C-N 3.27Å; F16-Y18 PolarHBondContact O-N 3.29Å; Y18-G20 PolarHBondContact O-N 3.08Å; Y18-N21 PolarHBondContact O-N 3.39Å; Y18-L22 WeakPolarHBondContact O-CG 3.34Å; Y18-L22 PolarHBondContact O-N 2.87Å
19T61Low72.1Confident76 Ų76109.2 Ų109.247%0.46655%0.546SS..Hα-helixtrans-69.8-33-177.651.60000113.1F16 L22 E23F16-T19 PolarHBondContact O-N 2.89Å; F16-T19 VanDerWaalsContact O-N 3.15Å; F16-T19 PolarHBondContact O-OG1 2.74Å; T19-L22 PolarHBondContact O-N 2.83Å; T19-E23 PolarHBondContact O-N 2.88Å
20G67.4Low73.9Confident38 Ų38109.9 Ų109.939%0.39254%0.544SS..Hα-helixtrans-64.5-41.5174.200000112.5Y18 N24Y18-G20 PolarHBondContact O-N 3.08Å; G20-N24 VanDerWaalsContact O-CG 3.24Å; G20-N24 PolarHBondContact O-N 2.82Å; G20-N24 VanDerWaalsContact O-N 3.13Å; G20-N24 PolarHBondContact O-ND2 2.74Å
21N75.6Confident75.7Confident81 Ų81106.8 Ų106.843%0.43354%0.537SS..Hα-helixtrans-63.9-42.2176.7-174.571.8000112.3Y18 E23 N24 E25Y18-N21 PolarHBondContact O-N 3.39Å; N21-E23 PolarHBondContact O-N 3.43Å; N21-N24 PolarHBondContact O-N 3.35Å; N21-E25 PolarHBondContact ND2-OE1 2.89Å; N21-E25 WeakPolarHBondContact O-CG 3.29Å; N21-E25 PolarHBondContact O-N 3.41Å
22L81.6Confident77.5Confident106 Ų106104.9 Ų104.956%0.55553%0.525SS*.Hα-helixtrans-64.9-37.9-179.6-70.8169.8000113.3Y18 T19 R26Y18-L22 WeakPolarHBondContact O-CG 3.34Å; Y18-L22 PolarHBondContact O-N 2.87Å; T19-L22 PolarHBondContact O-N 2.83Å; L22-R26 WeakPolarHBondContact O-CB 3.25Å; L22-R26 PolarHBondContact O-N 2.99Å
23E88.4Confident79.3Confident71 Ų71105 Ų10533%0.33252%0.522SS..Hα-helixtrans-72.9-34.6175.3-172.957.2-144.700111.6T19 N21 R26 Q27T19-E23 PolarHBondContact O-N 2.88Å; N21-E23 PolarHBondContact O-N 3.43Å; E23-R26 WeakPolarHBondContact O-CB 3.37Å; E23-R26 PolarHBondContact O-N 2.92Å; E23-R26 IonicContact OE1-NH1 2.67Å; E23-R26 PolarHBondContact OE1-NH1 2.97Å; E23-R26 WeakPolarHBondContact OE2-CD 3.46Å; E23-R26 IonicContact OE2-CZ 3.28Å; E23-R26 IonicContact OE2-NE 3.24Å; E23-R26 IonicContact OE2-NH1 2.65Å; E23-R26 PolarHBondContact OE2-NH1 3.09Å; E23-Q27 WeakPolarHBondContact O-CG 3.32Å; E23-Q27 PolarHBondContact O-N 2.87Å
24N89.8Confident81.3Confident103 Ų103104.2 Ų104.255%0.55152%0.519SS*.Hα-helixtrans-62.6-44.5171.5-70.3-16.4000111.9G20 N21 R26 Q27 H28G20-N24 VanDerWaalsContact O-CG 3.24Å; G20-N24 PolarHBondContact O-N 2.82Å; G20-N24 VanDerWaalsContact O-N 3.13Å; G20-N24 PolarHBondContact O-ND2 2.74Å; N21-N24 PolarHBondContact O-N 3.35Å; N24-R26 VanDerWaalsContact C-N 3.35Å; N24-R26 PolarHBondContact O-N 3.37Å; N24-Q27 PolarHBondContact O-N 3.4Å; N24-H28 WeakPolarHBondContact O-CB 3.38Å; N24-H28 PolarHBondContact O-N 3.32Å
25E90.9Very high83.2Confident99 Ų99104.9 Ų104.946%0.46352%0.516SS..Hα-helixtrans-61-42.1173.7-76178-170.300111.7N21 H28 L29N21-E25 PolarHBondContact ND2-OE1 2.89Å; N21-E25 WeakPolarHBondContact O-CG 3.29Å; N21-E25 PolarHBondContact O-N 3.41Å; E25-H28 PolarHBondContact O-N 2.88Å; E25-L29 WeakPolarHBondContact O-CB 3.24Å; E25-L29 VanDerWaalsContact O-CG 3.32Å; E25-L29 WeakPolarHBondContact O-CG 3.34Å; E25-L29 PolarHBondContact O-N 3.08Å
26R93.8Very high85.1Confident150 Ų150100.5 Ų100.557%0.56651%0.505SS*.Hα-helixtrans-61.7-44.2175.4-173.4-164.9-175.8-167-0.2111.8L22 E23 N24 L29 I30L22-R26 WeakPolarHBondContact O-CB 3.25Å; L22-R26 PolarHBondContact O-N 2.99Å; E23-R26 WeakPolarHBondContact O-CB 3.37Å; E23-R26 PolarHBondContact O-N 2.92Å; E23-R26 IonicContact OE1-NH1 2.67Å; E23-R26 PolarHBondContact OE1-NH1 2.97Å; E23-R26 WeakPolarHBondContact OE2-CD 3.46Å; E23-R26 IonicContact OE2-CZ 3.28Å; E23-R26 IonicContact OE2-NE 3.24Å; E23-R26 IonicContact OE2-NH1 2.65Å; E23-R26 PolarHBondContact OE2-NH1 3.09Å; N24-R26 VanDerWaalsContact C-N 3.35Å; N24-R26 PolarHBondContact O-N 3.37Å; R26-L29 PolarHBondContact O-N 3.37Å; R26-I30 HydrophobicContact CG-CD1 4.27Å; R26-I30 VanDerWaalsContact O-CG1 3.3Å; R26-I30 WeakPolarHBondContact O-CG1 3.42Å; R26-I30 PolarHBondContact O-N 3.38Å
27Q94.9Very high87.2Confident99 Ų9998.6 Ų98.646%0.46350%0.497SS..Hα-helixtrans-65.2-41.1175.9-72-17929.500111.6E23 N24 L29 I30 Q31E23-Q27 WeakPolarHBondContact O-CG 3.32Å; E23-Q27 PolarHBondContact O-N 2.87Å; N24-Q27 PolarHBondContact O-N 3.4Å; Q27-L29 PolarHBondContact O-N 3.25Å; Q27-I30 PolarHBondContact O-N 2.93Å; Q27-Q31 WeakPolarHBondContact O-CG 3.39Å; Q27-Q31 PolarHBondContact O-N 3.37Å
28H95.6Very high89.2Confident98 Ų9898.4 Ų98.445%0.45449%0.49SS..Hα-helixtrans-60.7-44.8173.5-171.685.2000111.6N24 E25 I30 Q31 Q32N24-H28 WeakPolarHBondContact O-CB 3.38Å; N24-H28 PolarHBondContact O-N 3.32Å; E25-H28 PolarHBondContact O-N 2.88Å; H28-I30 VanDerWaalsContact C-N 3.32Å; H28-I30 PolarHBondContact O-N 2.79Å; H28-Q31 WeakPolarHBondContact O-CB 3.26Å; H28-Q31 PolarHBondContact O-N 3.48Å; H28-Q31 VanDerWaalsContact O-N 3.17Å; H28-Q32 PolarHBondContact NE2-NE2 3Å; H28-Q32 WeakPolarHBondContact O-CG 3.29Å; H28-Q32 PolarHBondContact O-N 2.9Å
29L96.6Very high91.2Very high120 Ų12096.8 Ų96.863%0.62848%0.483SS*.Hα-helixtrans-61.8-37.4175.1-73.2169.1000112.4E25 R26 Q27 Q33E25-L29 WeakPolarHBondContact O-CB 3.24Å; E25-L29 VanDerWaalsContact O-CG 3.32Å; E25-L29 WeakPolarHBondContact O-CG 3.34Å; E25-L29 PolarHBondContact O-N 3.08Å; R26-L29 PolarHBondContact O-N 3.37Å; Q27-L29 PolarHBondContact O-N 3.25Å; L29-Q33 WeakPolarHBondContact O-CB 3.45Å; L29-Q33 PolarHBondContact O-N 3.36Å
30I97.3Very high92.9Very high74 Ų7496 Ų9638%0.37948%0.484SS..Hα-helixtrans-65.7-41.9173.4-70.3164000111R26 Q27 H28 Q33 K34R26-I30 HydrophobicContact CG-CD1 4.27Å; R26-I30 VanDerWaalsContact O-CG1 3.3Å; R26-I30 WeakPolarHBondContact O-CG1 3.42Å; R26-I30 PolarHBondContact O-N 3.38Å; Q27-I30 PolarHBondContact O-N 2.93Å; H28-I30 VanDerWaalsContact C-N 3.32Å; H28-I30 PolarHBondContact O-N 2.79Å; I30-Q33 PolarHBondContact O-N 3.44Å; I30-K34 HydrophobicContact CG2-CD 4.33Å; I30-K34 WeakPolarHBondContact O-CG 3.3Å; I30-K34 PolarHBondContact O-N 3.37Å
31Q97.5Very high94.4Very high125 Ų125102.8 Ų102.858%0.58450%0.498SS*.Hα-helixtrans-63.4-46.2174.8-72179.2-5.300111.7Q27 H28 Q33 K34 L35Q27-Q31 WeakPolarHBondContact O-CG 3.39Å; Q27-Q31 PolarHBondContact O-N 3.37Å; H28-Q31 WeakPolarHBondContact O-CB 3.26Å; H28-Q31 PolarHBondContact O-N 3.48Å; H28-Q31 VanDerWaalsContact O-N 3.17Å; Q31-Q33 VanDerWaalsContact C-N 3.33Å; Q31-Q33 PolarHBondContact O-N 2.96Å; Q31-K34 WeakPolarHBondContact O-CB 3.49Å; Q31-K34 PolarHBondContact O-N 2.94Å; Q31-L35 WeakPolarHBondContact O-CB 3.21Å; Q31-L35 PolarHBondContact O-N 3.41Å
32Q96.9Very high95.5Very high86 Ų86106.1 Ų106.140%0.40251%0.508SS..Hα-helixtrans-59.4-42.8174.2-68.2-67.7-3.300111.4H28 K34 L35 C36H28-Q32 PolarHBondContact NE2-NE2 3Å; H28-Q32 WeakPolarHBondContact O-CG 3.29Å; H28-Q32 PolarHBondContact O-N 2.9Å; Q32-K34 PolarHBondContact O-N 2.89Å; Q32-L35 PolarHBondContact O-N 2.79Å; Q32-C36 WeakPolarHBondContact O-CB 3.22Å; Q32-C36 PolarHBondContact O-N 2.89Å; Q32-C36 PolarHBondContact O-SG 2.89Å; Q32-C36 VanDerWaalsContact O-SG 3.39Å
33Q98Very high96.3Very high110 Ų110108.2 Ų108.251%0.51451%0.51SS..Hα-helixtrans-64.6-40.3176.7-160-158.869.800112L29 I30 Q31 K37L29-Q33 WeakPolarHBondContact O-CB 3.45Å; L29-Q33 PolarHBondContact O-N 3.36Å; I30-Q33 PolarHBondContact O-N 3.44Å; Q31-Q33 VanDerWaalsContact C-N 3.33Å; Q31-Q33 PolarHBondContact O-N 2.96Å; Q33-K37 HydrophobicContact CG-CD 4.35Å; Q33-K37 WeakPolarHBondContact O-CB 3.36Å; Q33-K37 VanDerWaalsContact O-CG 3.27Å; Q33-K37 WeakPolarHBondContact O-CG 3.4Å; Q33-K37 PolarHBondContact O-N 3.4Å
34K98.2Very high96.7Very high139 Ų139109.7 Ų109.760%0.60452%0.519SS*.Hα-helixtrans-60.4-46.3172.7-74.8172.8178.7-179.30111I30 Q31 Q32 K37 A38I30-K34 HydrophobicContact CG2-CD 4.33Å; I30-K34 WeakPolarHBondContact O-CG 3.3Å; I30-K34 PolarHBondContact O-N 3.37Å; Q31-K34 WeakPolarHBondContact O-CB 3.49Å; Q31-K34 PolarHBondContact O-N 2.94Å; Q32-K34 PolarHBondContact O-N 2.89Å; K34-K37 PolarHBondContact O-N 3.11Å; K34-A38 WeakPolarHBondContact O-CB 3.32Å; K34-A38 PolarHBondContact O-N 3.01Å
35L98.1Very high97.1Very high84 Ų84110.5 Ų110.544%0.4452%0.52SS..Hα-helixtrans-65.1-42.5179.5-173.6146.8000112.2Q31 Q32 A38 R39Q31-L35 WeakPolarHBondContact O-CB 3.21Å; Q31-L35 PolarHBondContact O-N 3.41Å; Q32-L35 PolarHBondContact O-N 2.79Å; L35-A38 PolarHBondContact O-N 3.31Å; L35-R39 WeakPolarHBondContact O-CB 3.44Å; L35-R39 PolarHBondContact O-N 2.75Å
36C98.1Very high97.5Very high71 Ų71108.8 Ų108.848%0.4851%0.512SS..Hα-helixtrans-62.2-44.1173.4-750000112.2Q32 A38 R39 A40Q32-C36 WeakPolarHBondContact O-CB 3.22Å; Q32-C36 PolarHBondContact O-N 2.89Å; Q32-C36 PolarHBondContact O-SG 2.89Å; Q32-C36 VanDerWaalsContact O-SG 3.39Å; C36-A38 PolarHBondContact O-N 3.01Å; C36-R39 PolarHBondContact O-N 2.88Å; C36-A40 WeakPolarHBondContact O-CB 3.4Å; C36-A40 PolarHBondContact O-N 3.25Å
37K98.4Very high97.7Very high117 Ų117105.1 Ų105.151%0.50951%0.506SS..Hα-helixtrans-61.3-42.2174.3-76168.7172.1175.30111.8Q33 K34 R41Q33-K37 HydrophobicContact CG-CD 4.35Å; Q33-K37 WeakPolarHBondContact O-CB 3.36Å; Q33-K37 VanDerWaalsContact O-CG 3.27Å; Q33-K37 WeakPolarHBondContact O-CG 3.4Å; Q33-K37 PolarHBondContact O-N 3.4Å; K34-K37 PolarHBondContact O-N 3.11Å; K37-R41 WeakPolarHBondContact O-CG 3.39Å; K37-R41 PolarHBondContact O-N 3.3Å
38A98.3Very high97.9Very high50 Ų50103.3 Ų103.341%0.41350%0.5SS..Hα-helixtrans-65.6-42.817600000112.4K34 L35 C36 R41 K42K34-A38 WeakPolarHBondContact O-CB 3.32Å; K34-A38 PolarHBondContact O-N 3.01Å; L35-A38 PolarHBondContact O-N 3.31Å; C36-A38 PolarHBondContact O-N 3.01Å; A38-R41 PolarHBondContact O-N 3.37Å; A38-K42 PolarHBondContact O-N 3.42Å
39R98.1Very high98Very high135 Ų135107.2 Ų107.251%0.50951%0.511SS..Hα-helixtrans-62.7-43.3176.4-168.8-175.8-69.3179.2-2.3111.5L35 C36 R41 K42 Y43L35-R39 WeakPolarHBondContact O-CB 3.44Å; L35-R39 PolarHBondContact O-N 2.75Å; C36-R39 PolarHBondContact O-N 2.88Å; R39-R41 PolarHBondContact O-N 3.04Å; R39-K42 PolarHBondContact O-N 3.5Å; R39-Y43 HydrophobicContact CG-CD2 4.2Å; R39-Y43 HydrophobicContact CG-CE2 3.56Å; R39-Y43 WeakPolarHBondContact O-CD2 3.4Å; R39-Y43 PolarHBondContact O-N 2.81Å
40A98Very high98.1Very high59 Ų59109 Ų10949%0.48851%0.509SS..Hα-helixtrans-61.3-41.9174.700000112.5C36 Y43 L44C36-A40 WeakPolarHBondContact O-CB 3.4Å; C36-A40 PolarHBondContact O-N 3.25Å; A40-Y43 PolarHBondContact O-N 3Å; A40-L44 PolarHBondContact O-N 3.33Å
41R98.3Very high98.1Very high182 Ų182112 Ų11269%0.68752%0.516SS*.Hα-helixtrans-60.1-44173.5-73.8174.5177.3-170.8-2.4112.1K37 A38 R39 L44 Q45K37-R41 WeakPolarHBondContact O-CG 3.39Å; K37-R41 PolarHBondContact O-N 3.3Å; A38-R41 PolarHBondContact O-N 3.37Å; R39-R41 PolarHBondContact O-N 3.04Å; R41-L44 PolarHBondContact O-N 3.26Å; R41-Q45 WeakPolarHBondContact O-CG 3.16Å; R41-Q45 PolarHBondContact O-N 2.91Å
42K98.3Very high98.1Very high151 Ų151113.5 Ų113.566%0.65752%0.52SS*.Hα-helixtrans-60.8-44.3175.5-72.8-171.1175-171.40112.1A38 R39 L44 Q45 E46A38-K42 PolarHBondContact O-N 3.42Å; R39-K42 PolarHBondContact O-N 3.5Å; K42-L44 PolarHBondContact O-N 3.41Å; K42-Q45 PolarHBondContact O-N 2.97Å; K42-E46 WeakPolarHBondContact O-CB 3.33Å; K42-E46 PolarHBondContact O-N 2.89Å
43Y98.2Very high98.2Very high149 Ų149111.4 Ų111.458%0.58452%0.518SS*.Hα-helixtrans-65.9-35.1175.9-64.5-39.9000113.4R39 A40 T47R39-Y43 HydrophobicContact CG-CD2 4.2Å; R39-Y43 HydrophobicContact CG-CE2 3.56Å; R39-Y43 WeakPolarHBondContact O-CD2 3.4Å; R39-Y43 PolarHBondContact O-N 2.81Å; A40-Y43 PolarHBondContact O-N 3Å; Y43-T47 WeakPolarHBondContact O-CB 3.48Å; Y43-T47 PolarHBondContact O-N 3.32Å; Y43-T47 PolarHBondContact O-OG1 3.28Å
44L98.3Very high98.2Very high102 Ų102111.7 Ų111.753%0.53452%0.522SS..Hα-helixtrans-66.3-45.5174178.360.2000111.8A40 R41 K42 E46 T47 N48A40-L44 PolarHBondContact O-N 3.33Å; R41-L44 PolarHBondContact O-N 3.26Å; K42-L44 PolarHBondContact O-N 3.41Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-E46 PolarHBondContact O-N 3.18Å; L44-T47 PolarHBondContact O-N 3.1Å; L44-N48 WeakPolarHBondContact O-CB 3.27Å; L44-N48 PolarHBondContact O-N 3.39Å; L44-N48 PolarHBondContact O-ND2 3.15Å
45Q98.2Very high98.2Very high120 Ų120109.4 Ų109.456%0.56151%0.514SS*.Hα-helixtrans-57.9-46.1174.3-74.4172.1-28.900111.3R41 K42 N48 R49R41-Q45 WeakPolarHBondContact O-CG 3.16Å; R41-Q45 PolarHBondContact O-N 2.91Å; K42-Q45 PolarHBondContact O-N 2.97Å; Q45-N48 PolarHBondContact O-N 3.32Å; Q45-R49 WeakPolarHBondContact O-CG 3.18Å; Q45-R49 PolarHBondContact O-N 3.18Å
46E98.1Very high98.1Very high64 Ų64109.9 Ų109.930%0.29951%0.514SS..Hα-helixtrans-66.3-39.6178.7179.957.2-166.600112.6K42 L44 N48 R49 R50K42-E46 WeakPolarHBondContact O-CB 3.33Å; K42-E46 PolarHBondContact O-N 2.89Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-E46 PolarHBondContact O-N 3.18Å; E46-N48 VanDerWaalsContact C-N 3.3Å; E46-N48 PolarHBondContact O-N 2.79Å; E46-R49 PolarHBondContact O-N 2.97Å; E46-R50 WeakPolarHBondContact O-CG 3.39Å; E46-R50 PolarHBondContact O-N 3.48Å; E46-R50 IonicContact OE1-CZ 3.33Å; E46-R50 IonicContact OE1-NE 2.91Å; E46-R50 PolarHBondContact OE1-NE 3.45Å; E46-R50 IonicContact OE1-NH2 2.68Å; E46-R50 PolarHBondContact OE1-NH2 2.69Å
47T98.3Very high98.1Very high73 Ų73114.5 Ų114.545%0.44852%0.521SS..Hα-helixtrans-63.3-38.5173.4-57.20000111.3Y43 L44 R51Y43-T47 WeakPolarHBondContact O-CB 3.48Å; Y43-T47 PolarHBondContact O-N 3.32Å; Y43-T47 PolarHBondContact O-OG1 3.28Å; L44-T47 PolarHBondContact O-N 3.1Å; T47-R51 PolarHBondContact O-N 2.76Å
48N98.4Very high98.1Very high61 Ų61116.7 Ų116.733%0.32653%0.526SS..Hα-helixtrans-69.9-39.2176.6-69.6-13.6000112.1L44 Q45 E46 R51 K52L44-N48 WeakPolarHBondContact O-CB 3.27Å; L44-N48 PolarHBondContact O-N 3.39Å; L44-N48 PolarHBondContact O-ND2 3.15Å; Q45-N48 PolarHBondContact O-N 3.32Å; E46-N48 VanDerWaalsContact C-N 3.3Å; E46-N48 PolarHBondContact O-N 2.79Å; N48-R51 PolarHBondContact O-N 3.41Å; N48-R51 PolarHBondContact OD1-NH1 3.09Å; N48-R51 PolarHBondContact OD1-NH2 3.45Å; N48-K52 PolarHBondContact O-N 2.74Å
49R98.4Very high98.1Very high179 Ų179119.8 Ų119.868%0.67553%0.53SS*.Hα-helixtrans-57.9-50171.3-75.9174.1171.5-177.5-5.9111.3Q45 E46 R51 K52 A53Q45-R49 WeakPolarHBondContact O-CG 3.18Å; Q45-R49 PolarHBondContact O-N 3.18Å; E46-R49 PolarHBondContact O-N 2.97Å; R49-R51 VanDerWaalsContact C-N 3.34Å; R49-R51 PolarHBondContact O-N 3.08Å; R49-K52 PolarHBondContact O-N 2.85Å; R49-A53 PolarHBondContact O-N 2.97Å
50R98.1Very high98.1Very high158 Ų158121 Ų12160%0.59654%0.535SS*.Hα-helixtrans-61-39.8177.1-68.5173.5-167.4-168.92.3112.4E46 A53 L54E46-R50 WeakPolarHBondContact O-CG 3.39Å; E46-R50 PolarHBondContact O-N 3.48Å; E46-R50 IonicContact OE1-CZ 3.33Å; E46-R50 IonicContact OE1-NE 2.91Å; E46-R50 PolarHBondContact OE1-NE 3.45Å; E46-R50 IonicContact OE1-NH2 2.68Å; E46-R50 PolarHBondContact OE1-NH2 2.69Å; R50-A53 PolarHBondContact O-N 2.94Å; R50-L54 WeakPolarHBondContact O-CG 3.28Å; R50-L54 PolarHBondContact O-N 2.79Å
51R98.1Very high98Very high137 Ų137126.7 Ų126.752%0.51754%0.544SS..Hα-helixtrans-62.9-47.8175.5-163.4-174.9-55.1102.84.9111.5T47 N48 R49 A53 L54 E55T47-R51 PolarHBondContact O-N 2.76Å; N48-R51 PolarHBondContact O-N 3.41Å; N48-R51 PolarHBondContact OD1-NH1 3.09Å; N48-R51 PolarHBondContact OD1-NH2 3.45Å; R49-R51 VanDerWaalsContact C-N 3.34Å; R49-R51 PolarHBondContact O-N 3.08Å; R51-A53 PolarHBondContact O-N 3.27Å; R51-L54 PolarHBondContact O-N 3.37Å; R51-E55 WeakPolarHBondContact O-CB 3.48Å; R51-E55 PolarHBondContact O-N 3.44Å
52K98.2Very high98Very high156 Ų156121.7 Ų121.768%0.67853%0.531SS*.Hα-helixtrans-58.3-46.9175.6-75.6-168.3173.1-165.30111.8N48 R49 L54 E55 E56N48-K52 PolarHBondContact O-N 2.74Å; R49-K52 PolarHBondContact O-N 2.85Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 3.32Å; K52-E55 PolarHBondContact O-N 3.08Å; K52-E56 WeakPolarHBondContact O-CB 3.45Å; K52-E56 PolarHBondContact O-N 2.9Å
53A97.9Very high98Very high43 Ų43118.5 Ų118.536%0.35552%0.524SS..Hα-helixtrans-62.9-34.3179.100000113.5R49 R50 R51 R57R49-A53 PolarHBondContact O-N 2.97Å; R50-A53 PolarHBondContact O-N 2.94Å; R51-A53 PolarHBondContact O-N 3.27Å; A53-R57 WeakPolarHBondContact O-CB 3.48Å; A53-R57 VanDerWaalsContact O-CG 3.26Å; A53-R57 WeakPolarHBondContact O-CG 3.47Å; A53-R57 PolarHBondContact O-N 2.9Å
54L97.7Very high98Very high115 Ų115117 Ų11760%0.60252%0.522SS*.Hα-helixtrans-73.2-37.1173.8-71.8172.3000112.7R50 R51 K52 R58R50-L54 WeakPolarHBondContact O-CG 3.28Å; R50-L54 PolarHBondContact O-N 2.79Å; R51-L54 PolarHBondContact O-N 3.37Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 3.32Å; L54-R58 WeakPolarHBondContact O-CB 3.2Å; L54-R58 PolarHBondContact O-N 2.81Å
55E97.9Very high98Very high91 Ų91116.4 Ų116.443%0.42552%0.517SS..Hα-helixtrans-66.9-40.1174.7-167.8-166.8131.300111.7R51 K52 R58 K59R51-E55 WeakPolarHBondContact O-CB 3.48Å; R51-E55 PolarHBondContact O-N 3.44Å; K52-E55 PolarHBondContact O-N 3.08Å; E55-R58 WeakPolarHBondContact O-CB 3.37Å; E55-R58 PolarHBondContact O-N 2.85Å; E55-K59 WeakPolarHBondContact O-CG 3.27Å; E55-K59 PolarHBondContact O-N 3.01Å; E55-K59 WeakPolarHBondContact OE1-CE 3.2Å; E55-K59 IonicContact OE1-NZ 2.86Å; E55-K59 PolarHBondContact OE1-NZ 3.44Å
56E97.8Very high98Very high95 Ų95114.4 Ų114.444%0.44451%0.507SS..Hα-helixtrans-66.9-45.1175.9-164-156.7140.300111.7K52 R58 K59 R60K52-E56 WeakPolarHBondContact O-CB 3.45Å; K52-E56 PolarHBondContact O-N 2.9Å; E56-R58 VanDerWaalsContact C-N 3.27Å; E56-R58 PolarHBondContact O-N 3.36Å; E56-K59 PolarHBondContact O-N 2.89Å; E56-K59 VanDerWaalsContact O-N 3.14Å; E56-R60 WeakPolarHBondContact O-CG 3.46Å; E56-R60 PolarHBondContact O-N 2.8Å; E56-R60 IonicContact OE1-CZ 3.83Å; E56-R60 VanDerWaalsContact OE1-CZ 3.24Å; E56-R60 IonicContact OE1-NE 3.38Å; E56-R60 PolarHBondContact OE1-NE 2.92Å; E56-R60 IonicContact OE1-NH2 3.99Å; E56-R60 PolarHBondContact OE1-NH2 2.86Å
57R97.9Very high98Very high167 Ų167117 Ų11763%0.6352%0.523SS*.Hα-helixtrans-56.4-42.2171.3-76.5174.7-174.7-166.51.2111.5A53 R60 W61A53-R57 WeakPolarHBondContact O-CB 3.48Å; A53-R57 VanDerWaalsContact O-CG 3.26Å; A53-R57 WeakPolarHBondContact O-CG 3.47Å; A53-R57 PolarHBondContact O-N 2.9Å; R57-R60 PolarHBondContact O-N 3.19Å; R57-W61 VanDerWaalsContact O-CD1 3.26Å; R57-W61 PolarHBondContact O-N 3.15Å
58R97.8Very high98Very high164 Ų164118.3 Ų118.362%0.61953%0.526SS*.Hα-helixtrans-59.6-50.6173.6169.6173.9-59.2-70.4-0.8111.2L54 E55 E56 R60 W61 D62L54-R58 WeakPolarHBondContact O-CB 3.2Å; L54-R58 PolarHBondContact O-N 2.81Å; E55-R58 WeakPolarHBondContact O-CB 3.37Å; E55-R58 PolarHBondContact O-N 2.85Å; E56-R58 VanDerWaalsContact C-N 3.27Å; E56-R58 PolarHBondContact O-N 3.36Å; R58-R60 VanDerWaalsContact C-N 3.32Å; R58-R60 PolarHBondContact O-N 3.18Å; R58-W61 CarbonylContact O-C 3.35Å; R58-W61 WeakPolarHBondContact O-CA 3.3Å; R58-W61 WeakPolarHBondContact O-CB 3.49Å; R58-W61 PolarHBondContact O-N 2.69Å; R58-W61 VanDerWaalsContact O-N 3.07Å; R58-D62 WeakPolarHBondContact CG-OD2 3.15Å; R58-D62 PolarHBondContact O-N 3.49Å
59K98.4Very high98Very high115 Ų115121 Ų12150%0.553%0.532SS..Hα-helixtrans-57.1-41.6177.7-74166.6172.5171.30112.6E55 E56 D62 T63E55-K59 WeakPolarHBondContact O-CG 3.27Å; E55-K59 PolarHBondContact O-N 3.01Å; E55-K59 WeakPolarHBondContact OE1-CE 3.2Å; E55-K59 IonicContact OE1-NZ 2.86Å; E55-K59 PolarHBondContact OE1-NZ 3.44Å; E56-K59 PolarHBondContact O-N 2.89Å; E56-K59 VanDerWaalsContact O-N 3.14Å; K59-D62 PolarHBondContact O-N 3.08Å; K59-T63 WeakPolarHBondContact O-CB 3.33Å; K59-T63 PolarHBondContact O-N 3.35Å; K59-T63 PolarHBondContact O-OG1 3.3Å; K59-T63 VanDerWaalsContact O-OG1 3.09Å
60R97.7Very high98Very high160 Ų160115.6 Ų115.660%0.60452%0.516SS*.Hα-helixtrans-60.5-45.2174-67.2178-174-140.85.7111.7E56 R57 R58 Q64E56-R60 WeakPolarHBondContact O-CG 3.46Å; E56-R60 PolarHBondContact O-N 2.8Å; E56-R60 IonicContact OE1-CZ 3.83Å; E56-R60 VanDerWaalsContact OE1-CZ 3.24Å; E56-R60 IonicContact OE1-NE 3.38Å; E56-R60 PolarHBondContact OE1-NE 2.92Å; E56-R60 IonicContact OE1-NH2 3.99Å; E56-R60 PolarHBondContact OE1-NH2 2.86Å; R57-R60 PolarHBondContact O-N 3.19Å; R58-R60 VanDerWaalsContact C-N 3.32Å; R58-R60 PolarHBondContact O-N 3.18Å; R60-Q64 WeakPolarHBondContact O-CG 3.41Å; R60-Q64 PolarHBondContact O-N 3.29Å
61W96.6Very high98Very high179 Ų179115.1 Ų115.168%0.67852%0.519SS*.Hα-helixtrans-64.1-45174.7-86108.1000113R57 R58 T63 Q64 E65R57-W61 VanDerWaalsContact O-CD1 3.26Å; R57-W61 PolarHBondContact O-N 3.15Å; R58-W61 CarbonylContact O-C 3.35Å; R58-W61 WeakPolarHBondContact O-CA 3.3Å; R58-W61 WeakPolarHBondContact O-CB 3.49Å; R58-W61 PolarHBondContact O-N 2.69Å; R58-W61 VanDerWaalsContact O-N 3.07Å; W61-T63 VanDerWaalsContact C-N 3.32Å; W61-T63 PolarHBondContact O-N 3.18Å; W61-Q64 PolarHBondContact O-N 2.96Å; W61-E65 PolarHBondContact O-N 2.97Å
62D97.9Very high98.1Very high77 Ų77111.7 Ų111.741%0.41251%0.51SS..Hα-helixtrans-62.1-40.4179.9-60.5-24.5000110.5R58 K59 E65 Q66R58-D62 WeakPolarHBondContact CG-OD2 3.15Å; R58-D62 PolarHBondContact O-N 3.49Å; K59-D62 PolarHBondContact O-N 3.08Å; D62-E65 PolarHBondContact O-N 2.77Å; D62-Q66 WeakPolarHBondContact O-CB 3.43Å; D62-Q66 PolarHBondContact O-N 3.21Å
63T98.4Very high98.1Very high84 Ų84108 Ų10852%0.51550%0.497SS..Hα-helixtrans-65.2-44.3172.8-62.40000112.4K59 W61 Q66 L67K59-T63 WeakPolarHBondContact O-CB 3.33Å; K59-T63 PolarHBondContact O-N 3.35Å; K59-T63 PolarHBondContact O-OG1 3.3Å; K59-T63 VanDerWaalsContact O-OG1 3.09Å; W61-T63 VanDerWaalsContact C-N 3.32Å; W61-T63 PolarHBondContact O-N 3.18Å; T63-Q66 PolarHBondContact O-N 2.86Å; T63-L67 HydrophobicContact CG2-CD1 4.2Å; T63-L67 WeakPolarHBondContact O-CG 3.43Å; T63-L67 PolarHBondContact O-N 3.33Å
64Q98.1Very high98.1Very high116 Ų116111.8 Ų111.854%0.54251%0.507SS..Hα-helixtrans-63.7-40.2176.3-77.3-179.9-25.200112R60 W61 Q66 L68R60-Q64 WeakPolarHBondContact O-CG 3.41Å; R60-Q64 PolarHBondContact O-N 3.29Å; W61-Q64 PolarHBondContact O-N 2.96Å; Q64-Q66 VanDerWaalsContact C-N 3.35Å; Q64-L68 WeakPolarHBondContact O-CB 3.38Å; Q64-L68 PolarHBondContact O-N 3.22Å
65E97.8Very high98.1Very high90 Ų90111.2 Ų111.242%0.42150%0.502SS..Hα-helixtrans-65.7-39.3174.9-153.1-154.9152.200111.1W61 D62 L68 R69W61-E65 PolarHBondContact O-N 2.97Å; D62-E65 PolarHBondContact O-N 2.77Å; E65-L68 PolarHBondContact O-N 2.87Å; E65-R69 VanDerWaalsContact CD-CZ 3.46Å; E65-R69 VanDerWaalsContact CD-NE 3.34Å; E65-R69 WeakPolarHBondContact O-CB 3.16Å; E65-R69 WeakPolarHBondContact O-CG 3.38Å; E65-R69 PolarHBondContact O-N 2.98Å; E65-R69 IonicContact OE1-CZ 3.45Å; E65-R69 IonicContact OE1-NE 2.76Å; E65-R69 PolarHBondContact OE1-NE 3.44Å; E65-R69 IonicContact OE1-NH2 3.14Å; E65-R69 PolarHBondContact OE1-NH2 2.97Å; E65-R69 IonicContact OE2-CZ 3.87Å; E65-R69 IonicContact OE2-NE 2.69Å; E65-R69 IonicContact OE2-NH2 3.69Å; E65-R69 PolarHBondContact OE2-NH2 2.66Å
66Q98Very high98.1Very high79 Ų79114.3 Ų114.337%0.36951%0.51SS..Hα-helixtrans-65.1-46177-172.255.53500112.1D62 T63 Q64 L68 R69 D70D62-Q66 WeakPolarHBondContact O-CB 3.43Å; D62-Q66 PolarHBondContact O-N 3.21Å; T63-Q66 PolarHBondContact O-N 2.86Å; Q64-Q66 VanDerWaalsContact C-N 3.35Å; Q66-L68 VanDerWaalsContact C-N 3.29Å; Q66-L68 PolarHBondContact O-N 2.72Å; Q66-R69 WeakPolarHBondContact O-CB 3.4Å; Q66-R69 PolarHBondContact O-N 2.86Å; Q66-D70 VanDerWaalsContact NE2-CG 3.25Å; Q66-D70 PolarHBondContact NE2-OD1 3.37Å; Q66-D70 PolarHBondContact NE2-OD2 2.82Å; Q66-D70 PolarHBondContact O-N 2.85Å
67L98.6Very high98.2Very high118 Ų118117 Ų11762%0.61852%0.516SS*.Hα-helixtrans-59.2-39.2173.9-70.5170.9000112.1T63 K71T63-L67 HydrophobicContact CG2-CD1 4.2Å; T63-L67 WeakPolarHBondContact O-CG 3.43Å; T63-L67 PolarHBondContact O-N 3.33Å; L67-K71 VanDerWaalsContact O-CB 3.3Å; L67-K71 WeakPolarHBondContact O-CB 3.36Å; L67-K71 PolarHBondContact O-N 3.38Å
68L98.5Very high98.2Very high101 Ų101115.1 Ų115.153%0.52951%0.514SS..Hα-helixtrans-66.1-44.2174.8178.560.7000112Q64 E65 Q66 K71 I72Q64-L68 WeakPolarHBondContact O-CB 3.38Å; Q64-L68 PolarHBondContact O-N 3.22Å; E65-L68 PolarHBondContact O-N 2.87Å; Q66-L68 VanDerWaalsContact C-N 3.29Å; Q66-L68 PolarHBondContact O-N 2.72Å; L68-K71 PolarHBondContact O-N 3.43Å; L68-I72 HydrophobicContact CD1-CD1 4.03Å; L68-I72 HydrophobicContact CD1-CG1 4.41Å; L68-I72 HydrophobicContact CG-CD1 4Å; L68-I72 WeakPolarHBondContact O-CD1 3.46Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.33Å; L68-I72 PolarHBondContact O-N 3.05Å
69R98.6Very high98.1Very high117 Ų117112.4 Ų112.444%0.44251%0.509SS..Hα-helixtrans-59.9-46.9175.4-72.3163.8179.6-178.12.7111E65 Q66 I72 L73E65-R69 VanDerWaalsContact CD-CZ 3.46Å; E65-R69 VanDerWaalsContact CD-NE 3.34Å; E65-R69 WeakPolarHBondContact O-CB 3.16Å; E65-R69 WeakPolarHBondContact O-CG 3.38Å; E65-R69 PolarHBondContact O-N 2.98Å; E65-R69 IonicContact OE1-CZ 3.45Å; E65-R69 IonicContact OE1-NE 2.76Å; E65-R69 PolarHBondContact OE1-NE 3.44Å; E65-R69 IonicContact OE1-NH2 3.14Å; E65-R69 PolarHBondContact OE1-NH2 2.97Å; E65-R69 IonicContact OE2-CZ 3.87Å; E65-R69 IonicContact OE2-NE 2.69Å; E65-R69 IonicContact OE2-NH2 3.69Å; E65-R69 PolarHBondContact OE2-NH2 2.66Å; Q66-R69 WeakPolarHBondContact O-CB 3.4Å; Q66-R69 PolarHBondContact O-N 2.86Å; R69-I72 PolarHBondContact O-N 2.91Å; R69-L73 WeakPolarHBondContact O-CG 3.39Å; R69-L73 PolarHBondContact O-N 3.17Å
70D98.3Very high98.1Very high65 Ų65111.6 Ų111.635%0.34851%0.513SS..Hα-helixtrans-68-36.7-179-71.8-35.4000112.3Q66 L73 Q74Q66-D70 VanDerWaalsContact NE2-CG 3.25Å; Q66-D70 PolarHBondContact NE2-OD1 3.37Å; Q66-D70 PolarHBondContact NE2-OD2 2.82Å; Q66-D70 PolarHBondContact O-N 2.85Å; D70-L73 PolarHBondContact O-N 2.76Å; D70-Q74 WeakPolarHBondContact O-CB 3.37Å; D70-Q74 PolarHBondContact O-N 3.47Å
71K98.6Very high98.1Very high148 Ų148109.5 Ų109.564%0.64351%0.51SS*.Hα-helixtrans-61.7-42.5170.2-173.7173.8-177.5175.30112.1L67 L68 Q74 Q75L67-K71 VanDerWaalsContact O-CB 3.3Å; L67-K71 WeakPolarHBondContact O-CB 3.36Å; L67-K71 PolarHBondContact O-N 3.38Å; L68-K71 PolarHBondContact O-N 3.43Å; K71-Q74 PolarHBondContact O-N 3.01Å; K71-Q75 WeakPolarHBondContact O-CB 3.39Å; K71-Q75 PolarHBondContact O-N 2.98Å
72I98.6Very high98.1Very high66 Ų66105 Ų10534%0.33850%0.496SS..Hα-helixtrans-66.3-39.2175.2-69.5164.6000111.2L68 R69 R76L68-I72 HydrophobicContact CD1-CD1 4.03Å; L68-I72 HydrophobicContact CD1-CG1 4.41Å; L68-I72 HydrophobicContact CG-CD1 4Å; L68-I72 WeakPolarHBondContact O-CD1 3.46Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.33Å; L68-I72 PolarHBondContact O-N 3.05Å; R69-I72 PolarHBondContact O-N 2.91Å; I72-R76 WeakPolarHBondContact O-CB 3.03Å; I72-R76 VanDerWaalsContact O-CG 3.27Å; I72-R76 WeakPolarHBondContact O-CG 3.2Å; I72-R76 PolarHBondContact O-N 3.24Å
73L98.4Very high98Very high77 Ų77104 Ų10440%0.40350%0.499SS..Hα-helixtrans-67.6-37175.2-70.4172.7000111.9R69 D70 R76 R77R69-L73 WeakPolarHBondContact O-CG 3.39Å; R69-L73 PolarHBondContact O-N 3.17Å; D70-L73 PolarHBondContact O-N 2.76Å; L73-R76 PolarHBondContact O-N 2.9Å; L73-R77 WeakPolarHBondContact O-CG 3.31Å; L73-R77 PolarHBondContact O-N 2.82Å
74Q98.4Very high97.9Very high123 Ų123103.1 Ų103.158%0.57549%0.494SS*.Hα-helixtrans-65.4-49173.9-175.4172.8-0.700111.5D70 K71 R76 R77 E78D70-Q74 WeakPolarHBondContact O-CB 3.37Å; D70-Q74 PolarHBondContact O-N 3.47Å; K71-Q74 PolarHBondContact O-N 3.01Å; Q74-R76 PolarHBondContact O-N 2.98Å; Q74-R77 WeakPolarHBondContact O-CB 3.18Å; Q74-R77 PolarHBondContact O-N 3.3Å; Q74-R77 VanDerWaalsContact O-N 3.08Å; Q74-E78 PolarHBondContact O-N 3.05Å
75Q98.3Very high97.7Very high104 Ų104100.5 Ų100.549%0.48648%0.481SS..Hα-helixtrans-57.9-36.8175.6-171.8-177.921.300112K71 Q79K71-Q75 WeakPolarHBondContact O-CB 3.39Å; K71-Q75 PolarHBondContact O-N 2.98Å; Q75-Q79 WeakPolarHBondContact O-CB 3.49Å; Q75-Q79 VanDerWaalsContact O-CG 3.28Å; Q75-Q79 WeakPolarHBondContact O-CG 3.41Å; Q75-Q79 PolarHBondContact O-N 3.38Å
76R98.3Very high97.6Very high156 Ų156103.3 Ų103.359%0.58949%0.488SS*.Hα-helixtrans-69.9-39174.7-75.7171.9175.1-168.6-2.8113.1I72 L73 Q74 Q79 V80I72-R76 WeakPolarHBondContact O-CB 3.03Å; I72-R76 VanDerWaalsContact O-CG 3.27Å; I72-R76 WeakPolarHBondContact O-CG 3.2Å; I72-R76 PolarHBondContact O-N 3.24Å; L73-R76 PolarHBondContact O-N 2.9Å; Q74-R76 PolarHBondContact O-N 2.98Å; R76-Q79 PolarHBondContact O-N 3.36Å; R76-V80 VanDerWaalsContact O-CG2 3.32Å; R76-V80 WeakPolarHBondContact O-CG2 3.49Å; R76-V80 PolarHBondContact O-N 3.44Å
77R98.3Very high97.4Very high150 Ų150105.9 Ų105.957%0.56650%0.498SS*.Hα-helixtrans-61.6-46.5173.1-75.3-179.3-68.5-107.92.1110.6L73 Q74 V80 E81L73-R77 WeakPolarHBondContact O-CG 3.31Å; L73-R77 PolarHBondContact O-N 2.82Å; Q74-R77 WeakPolarHBondContact O-CB 3.18Å; Q74-R77 PolarHBondContact O-N 3.3Å; Q74-R77 VanDerWaalsContact O-N 3.08Å; R77-V80 PolarHBondContact O-N 3.29Å; R77-E81 PolarHBondContact O-N 2.98Å
78E97.9Very high97.2Very high129 Ų129105.9 Ų105.960%0.60350%0.495SS*.Hα-helixtrans-60.6-44.4175.8-175.2179-165.800112Q74 V80 E81 E82Q74-E78 PolarHBondContact O-N 3.05Å; E78-V80 PolarHBondContact O-N 2.84Å; E78-E81 PolarHBondContact O-N 3.43Å; E78-E82 WeakPolarHBondContact O-CB 3.35Å; E78-E82 PolarHBondContact O-N 3.49Å
79Q97.6Very high96.7Very high107 Ų107107.4 Ų107.450%0.549%0.494SS..Hα-helixtrans-64.5-37.5175.6-77.8175.2-900113.3Q75 R76 A83Q75-Q79 WeakPolarHBondContact O-CB 3.49Å; Q75-Q79 VanDerWaalsContact O-CG 3.28Å; Q75-Q79 WeakPolarHBondContact O-CG 3.41Å; Q75-Q79 PolarHBondContact O-N 3.38Å; R76-Q79 PolarHBondContact O-N 3.36Å; Q79-A83 VanDerWaalsContact O-CB 3.26Å; Q79-A83 WeakPolarHBondContact O-CB 3.38Å; Q79-A83 PolarHBondContact O-N 3.48Å
80V98Very high96.1Very high98 Ų98104.5 Ų104.559%0.59450%0.495SS*.Hα-helixtrans-67.5-43.6174.5168.50000110.4R76 R77 E78 A83 T84R76-V80 VanDerWaalsContact O-CG2 3.32Å; R76-V80 WeakPolarHBondContact O-CG2 3.49Å; R76-V80 PolarHBondContact O-N 3.44Å; R77-V80 PolarHBondContact O-N 3.29Å; E78-V80 PolarHBondContact O-N 2.84Å; V80-A83 PolarHBondContact O-N 3.28Å; V80-T84 PolarHBondContact O-N 2.96Å; V80-T84 PolarHBondContact O-OG1 2.99Å
81E96.9Very high95.6Very high116 Ų116107.9 Ų107.954%0.54251%0.508SS..Hα-helixtrans-64-44.7175.7-162.2-167.7142.900111.6R77 E78 A83 T84 Q85R77-E81 PolarHBondContact O-N 2.98Å; E78-E81 PolarHBondContact O-N 3.43Å; E81-A83 VanDerWaalsContact C-N 3.32Å; E81-A83 PolarHBondContact O-N 2.93Å; E81-T84 CarbonylContact O-C 3.53Å; E81-T84 PolarHBondContact O-N 3.27Å; E81-T84 VanDerWaalsContact O-N 3.15Å; E81-Q85 HydrophobicContact CG-CG 4.49Å; E81-Q85 WeakPolarHBondContact O-CG 3.49Å; E81-Q85 PolarHBondContact O-N 3.26Å; E81-Q85 PolarHBondContact OE1-NE2 3.45Å
82E96.8Very high95Very high84 Ų84104.1 Ų104.139%0.39350%0.495SS..Hα-helixtrans-62.3-40.2176.9-156.3-152.5168.600111.1E78 Q85 R86E78-E82 WeakPolarHBondContact O-CB 3.35Å; E78-E82 PolarHBondContact O-N 3.49Å; E82-Q85 PolarHBondContact O-N 2.78Å; E82-R86 VanDerWaalsContact CD-NE 3.26Å; E82-R86 HydrophobicContact CG-CG 4.49Å; E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 WeakPolarHBondContact O-CG 3.39Å; E82-R86 PolarHBondContact O-N 3.07Å; E82-R86 IonicContact OE1-CZ 3.68Å; E82-R86 IonicContact OE1-NE 3.42Å; E82-R86 PolarHBondContact OE1-NE 2.95Å; E82-R86 IonicContact OE1-NH2 2.74Å; E82-R86 PolarHBondContact OE1-NH2 3.5Å; E82-R86 IonicContact OE2-CZ 2.74Å; E82-R86 IonicContact OE2-NE 3.76Å; E82-R86 IonicContact OE2-NH2 2.74Å; E82-R86 PolarHBondContact OE2-NH2 2.8Å
83A95.6Very high94.1Very high56 Ų56103.9 Ų103.946%0.46350%0.498SS..Hα-helixtrans-62-42.7173.500000111.9Q79 V80 E81 R86 F87Q79-A83 VanDerWaalsContact O-CB 3.26Å; Q79-A83 WeakPolarHBondContact O-CB 3.38Å; Q79-A83 PolarHBondContact O-N 3.48Å; V80-A83 PolarHBondContact O-N 3.28Å; E81-A83 VanDerWaalsContact C-N 3.32Å; E81-A83 PolarHBondContact O-N 2.93Å; A83-R86 PolarHBondContact O-N 3.07Å; A83-F87 WeakPolarHBondContact O-CB 3.36Å; A83-F87 PolarHBondContact O-N 3.46Å
84T96.1Very high92.7Very high66 Ų66105 Ų10541%0.40551%0.509SS..Hα-helixtrans-65.1-45.3175.3-57.70000112V80 E81 R86 F87 Q88V80-T84 PolarHBondContact O-N 2.96Å; V80-T84 PolarHBondContact O-OG1 2.99Å; E81-T84 CarbonylContact O-C 3.53Å; E81-T84 PolarHBondContact O-N 3.27Å; E81-T84 VanDerWaalsContact O-N 3.15Å; T84-R86 PolarHBondContact O-N 3.22Å; T84-F87 PolarHBondContact O-N 2.84Å; T84-Q88 VanDerWaalsContact O-CG 3.32Å; T84-Q88 WeakPolarHBondContact O-CG 3.29Å; T84-Q88 PolarHBondContact O-N 3.02Å
85Q95.2Very high91.5Very high61 Ų61104.2 Ų104.229%0.28552%0.517SS..Hα-helixtrans-63.7-38.8175-69.5-173.223.900111.7E81 E82 R89E81-Q85 HydrophobicContact CG-CG 4.49Å; E81-Q85 WeakPolarHBondContact O-CG 3.49Å; E81-Q85 PolarHBondContact O-N 3.26Å; E81-Q85 PolarHBondContact OE1-NE2 3.45Å; E82-Q85 PolarHBondContact O-N 2.78Å; Q85-R89 WeakPolarHBondContact O-CB 3.37Å; Q85-R89 VanDerWaalsContact O-CG 3.24Å; Q85-R89 WeakPolarHBondContact O-CG 3.49Å; Q85-R89 PolarHBondContact O-N 3.36Å
86R94.2Very high90Very high149 Ų149105.1 Ų105.156%0.56252%0.522SS*.Hα-helixtrans-65.2-43.6175.6-79.2172.5176.8-142.912.1111.6E82 A83 T84 R89 A90E82-R86 VanDerWaalsContact CD-NE 3.26Å; E82-R86 HydrophobicContact CG-CG 4.49Å; E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 WeakPolarHBondContact O-CG 3.39Å; E82-R86 PolarHBondContact O-N 3.07Å; E82-R86 IonicContact OE1-CZ 3.68Å; E82-R86 IonicContact OE1-NE 3.42Å; E82-R86 PolarHBondContact OE1-NE 2.95Å; E82-R86 IonicContact OE1-NH2 2.74Å; E82-R86 PolarHBondContact OE1-NH2 3.5Å; E82-R86 IonicContact OE2-CZ 2.74Å; E82-R86 IonicContact OE2-NE 3.76Å; E82-R86 IonicContact OE2-NH2 2.74Å; E82-R86 PolarHBondContact OE2-NH2 2.8Å; A83-R86 PolarHBondContact O-N 3.07Å; T84-R86 PolarHBondContact O-N 3.22Å; R86-R89 PolarHBondContact O-N 3Å; R86-A90 WeakPolarHBondContact O-CB 3.4Å; R86-A90 PolarHBondContact O-N 2.68Å
87F94.9Very high88.6Confident132 Ų132103.8 Ų103.858%0.57952%0.517SS*.Hα-helixtrans-58-53.3173.7175.8-96.7000110.7A83 T84 R89 A90 H91A83-F87 WeakPolarHBondContact O-CB 3.36Å; A83-F87 PolarHBondContact O-N 3.46Å; T84-F87 PolarHBondContact O-N 2.84Å; F87-R89 PolarHBondContact O-N 2.91Å; F87-A90 WeakPolarHBondContact O-CB 3.39Å; F87-A90 PolarHBondContact O-N 2.78Å; F87-A90 VanDerWaalsContact O-N 3.1Å; F87-H91 AromaticContact CD2-NE2 3.76Å; F87-H91 AromaticContact CE1-CD2 3.82Å; F87-H91 AromaticContact CE1-NE2 3.99Å; F87-H91 AromaticContact CE2-CD2 3.8Å; F87-H91 AromaticContact CE2-NE2 3.22Å; F87-H91 WeakPolarHBondContact CE2-NE2 3.45Å; F87-H91 AromaticContact CZ-CD2 3.69Å; F87-H91 AromaticContact CZ-NE2 3.35Å; F87-H91 WeakPolarHBondContact CZ-NE2 3.35Å; F87-H91 PolarHBondContact O-CD2 3.23Å; F87-H91 PolarHBondContact O-N 3.28Å
88Q92.9Very high86.9Confident119 Ų119106 Ų10656%0.55653%0.526SS*.Hα-helixtrans-56.3-46.6176.2-70.5170.3-2.700112.3T84 A90 H91 L92T84-Q88 VanDerWaalsContact O-CG 3.32Å; T84-Q88 WeakPolarHBondContact O-CG 3.29Å; T84-Q88 PolarHBondContact O-N 3.02Å; Q88-A90 VanDerWaalsContact C-N 3.33Å; Q88-A90 PolarHBondContact O-N 3.1Å; Q88-H91 PolarHBondContact O-N 2.91Å; Q88-L92 PolarHBondContact O-N 2.94Å
89R88.6Confident85.2Confident133 Ų133110 Ų11050%0.50254%0.536SS..Hα-helixtrans-64.4-31.4176.4-73.8174.4-172.5133.612113.5Q85 R86 F87 H91 L92Q85-R89 WeakPolarHBondContact O-CB 3.37Å; Q85-R89 VanDerWaalsContact O-CG 3.24Å; Q85-R89 WeakPolarHBondContact O-CG 3.49Å; Q85-R89 PolarHBondContact O-N 3.36Å; R86-R89 PolarHBondContact O-N 3Å; F87-R89 PolarHBondContact O-N 2.91Å; R89-H91 VanDerWaalsContact C-N 3.34Å; R89-L92 PolarHBondContact O-N 2.92Å
90A87.3Confident83.2Confident55 Ų55110.5 Ų110.546%0.45555%0.548SS..Hα-helixtrans-68.9-34.1176.600000112R86 F87 Q88 L92 R97R86-A90 WeakPolarHBondContact O-CB 3.4Å; R86-A90 PolarHBondContact O-N 2.68Å; F87-A90 WeakPolarHBondContact O-CB 3.39Å; F87-A90 PolarHBondContact O-N 2.78Å; F87-A90 VanDerWaalsContact O-N 3.1Å; Q88-A90 VanDerWaalsContact C-N 3.33Å; Q88-A90 PolarHBondContact O-N 3.1Å; A90-L92 VanDerWaalsContact C-N 3.31Å; A90-L92 PolarHBondContact O-N 3.49Å; A90-R97 VanDerWaalsContact O-CZ 3.29Å; A90-R97 PolarHBondContact O-NE 3.17Å; A90-R97 PolarHBondContact O-NH2 3.19Å
91H87.4Confident81Confident136 Ų136112.3 Ų112.363%0.6355%0.554SS**Hα-helixtrans-77.6-9.7175.9-71.9-67.4000114.5F87 Q88 R89F87-H91 AromaticContact CD2-NE2 3.76Å; F87-H91 AromaticContact CE1-CD2 3.82Å; F87-H91 AromaticContact CE1-NE2 3.99Å; F87-H91 AromaticContact CE2-CD2 3.8Å; F87-H91 AromaticContact CE2-NE2 3.22Å; F87-H91 WeakPolarHBondContact CE2-NE2 3.45Å; F87-H91 AromaticContact CZ-CD2 3.69Å; F87-H91 AromaticContact CZ-NE2 3.35Å; F87-H91 WeakPolarHBondContact CZ-NE2 3.35Å; F87-H91 PolarHBondContact O-CD2 3.23Å; F87-H91 PolarHBondContact O-N 3.28Å; Q88-H91 PolarHBondContact O-N 2.91Å; R89-H91 VanDerWaalsContact C-N 3.34Å
92L84.4Confident78.9Confident69 Ų69113.7 Ų113.736%0.36156%0.564SS.*SBendtrans-70150.2168.4-63.6179.4000111.4Q88 R89 A90 Q96 R97Q88-L92 PolarHBondContact O-N 2.94Å; R89-L92 PolarHBondContact O-N 2.92Å; A90-L92 VanDerWaalsContact C-N 3.31Å; A90-L92 PolarHBondContact O-N 3.49Å; L92-Q96 HydrophobicContact CB-CB 4.3Å; L92-R97 HydrophobicContact CB-CG 4.49Å; L92-R97 PolarHBondContact O-NE 3.39Å; L92-R97 PolarHBondContact O-NH2 2.9Å; L92-R97 VanDerWaalsContact O-NH2 3.09Å
93P79.8Confident76.8Confident62 Ų62119 Ų11940%0.40359%0.585SS.*  trans-62.4148.3174.826.3-34.7000111.2S95 Q96 R97P93-S95 PolarHBondContact O-N 3.45Å; P93-Q96 HydrophobicContact CG-CB 4.27Å; P93-Q96 HydrophobicContact CG-CG 4.06Å; P93-Q96 PolarHBondContact O-N 3.35Å; P93-R97 PolarHBondContact O-N 2.93Å
94P70.5Confident74.3Confident99 Ų99126.4 Ų126.464%0.64360%0.601SS**G310 helixtrans-52.3-34.8-172.7-30.236.3000115.6Q96 R97P94-Q96 PolarHBondContact O-N 3Å; P94-R97 PolarHBondContact O-N 3.1Å; P94-R97 VanDerWaalsContact O-N 3.11Å
95S72.4Confident71.8Confident107 Ų107134.7 Ų134.775%0.74863%0.625SS**G310 helixtrans-62.6-25.2176.150.10000114.3P93P93-S95 PolarHBondContact O-N 3.45Å
96Q67.3Low69.5Low123 Ų123138.6 Ų138.658%0.57565%0.648SS**G310 helixtrans-96-8.7175.9-66.4179.3-3.100112.9L92 P93 P94 Y98L92-Q96 HydrophobicContact CB-CB 4.3Å; P93-Q96 HydrophobicContact CG-CB 4.27Å; P93-Q96 HydrophobicContact CG-CG 4.06Å; P93-Q96 PolarHBondContact O-N 3.35Å; P94-Q96 PolarHBondContact O-N 3Å; Q96-Y98 PolarHBondContact O-N 3.38Å
97R68.1Low67.5Low129 Ų129142.5 Ų142.549%0.48766%0.663SS.*  trans-77.734.8175.5-57.3-175-164.6156.74.3112.7A90 L92 P93 P94 R99A90-R97 VanDerWaalsContact O-CZ 3.29Å; A90-R97 PolarHBondContact O-NE 3.17Å; A90-R97 PolarHBondContact O-NH2 3.19Å; L92-R97 HydrophobicContact CB-CG 4.49Å; L92-R97 PolarHBondContact O-NE 3.39Å; L92-R97 PolarHBondContact O-NH2 2.9Å; L92-R97 VanDerWaalsContact O-NH2 3.09Å; P93-R97 PolarHBondContact O-N 2.93Å; P94-R97 PolarHBondContact O-N 3.1Å; P94-R97 VanDerWaalsContact O-N 3.11Å; R97-R99 PolarHBondContact O-N 2.9Å
98Y62.7Low65.5Low195 Ų195140.5 Ų140.577%0.76566%0.658SS**  trans-63.8102177.8-154.1-88.2000108.3Q96Q96-Y98 PolarHBondContact O-N 3.38Å
99R61.8Low64.1Low213 Ų213141.3 Ų141.380%0.80466%0.663SS**  trans-54.6142.2171-73.6-169.9179.2-149.63.3107.3R97 L101R97-R99 PolarHBondContact O-N 2.9Å; R99-L101 PolarHBondContact O-N 3.34Å
100P57.3Low63.1Low118 Ų118141.9 Ų141.977%0.76667%0.672SS**  trans-51111.7156.9-21.632.9000106.7I102P100-I102 PolarHBondContact O-N 3.08Å
101L50.1Low62Low137 Ų137144.9 Ų144.972%0.71768%0.676SS**  trans-51.7130.1172-173.977.2000105.4R99 K103R99-L101 PolarHBondContact O-N 3.34Å; L101-K103 PolarHBondContact O-N 2.79Å
102I52.9Low60.7Low144 Ų144140.9 Ų140.974%0.73867%0.667SS**  trans-65.791.3180-59.3175.3000106.4P100 R104P100-I102 PolarHBondContact O-N 3.08Å; I102-R104 PolarHBondContact O-N 3.37Å
103K52.3Low59.7Low196 Ų196141.9 Ų141.985%0.85267%0.672SS**  trans-58.790.2157-74.2-171.7176.3-175.40104L101 R105L101-K103 PolarHBondContact O-N 2.79Å; K103-R105 PolarHBondContact O-N 2.83Å
104R44.6Very low58.8Low211 Ų211140.9 Ų140.980%0.79667%0.673SS**  trans-44118.2161.2-75.6-179.7170.7174.9-2.7103.9I102 N106I102-R104 PolarHBondContact O-N 3.37Å; R104-N106 VanDerWaalsContact C-N 3.28Å; R104-N106 PolarHBondContact O-N 3.02Å; R104-N106 PolarHBondContact O-OD1 3.49Å
105R42.5Very low58.3Low240 Ų240143.1 Ų143.191%0.90668%0.675SS**  trans-58.6102.3177.2-177.3176.5-174.6156.5-0.1104.9K103 R107K103-R105 PolarHBondContact O-N 2.83Å; R105-R107 PolarHBondContact O-N 3.29Å
106N46.7Very low57.7Low143 Ų143143.7 Ų143.777%0.76567%0.669SS**  trans-54.2117.2-175.3-75.5-11.7000105.6R104 N108R104-N106 VanDerWaalsContact C-N 3.28Å; R104-N106 PolarHBondContact O-N 3.02Å; R104-N106 PolarHBondContact O-OD1 3.49Å; N106-N108 PolarHBondContact O-N 3.42Å
107R53.3Low57.2Low232 Ų232145 Ų14588%0.87568%0.675SS**  trans-55.8129.3167-75.8-177.3174.4171.2-3.7105.1R105 M109R105-R107 PolarHBondContact O-N 3.29Å; R107-M109 PolarHBondContact O-N 3.4Å
108N53.3Low56.3Low89 Ų89142 Ų14248%0.47668%0.684SS.*  trans-63.5102.9-166.4-173.614.4000108.9N106 E110 E111 A112N106-N108 PolarHBondContact O-N 3.42Å; N108-E110 PolarHBondContact O-N 3.02Å; N108-E110 VanDerWaalsContact OD1-CB 3.31Å; N108-E110 WeakPolarHBondContact OD1-CB 3.32Å; N108-E111 HydrophobicContact CB-CB 3.81Å; N108-E111 WeakPolarHBondContact CB-OE2 3.35Å; N108-E111 WeakPolarHBondContact ND2-CB 3.48Å; N108-E111 PolarHBondContact ND2-OE2 3.21Å; N108-E111 WeakPolarHBondContact O-CB 3.33Å; N108-E111 PolarHBondContact O-N 2.77Å; N108-A112 PolarHBondContact O-N 3.34Å; N108-A112 VanDerWaalsContact O-N 3.12Å
109M63.5Low55.4Low136 Ų136138.3 Ų138.367%0.6768%0.682SS**Hα-helixtrans-63-33.5-176.8-67.8-88-72.300109.6R107 E111 A112 L113R107-M109 PolarHBondContact O-N 3.4Å; M109-E111 VanDerWaalsContact C-N 3.28Å; M109-E111 PolarHBondContact O-N 3.11Å; M109-A112 PolarHBondContact O-N 3.01Å; M109-L113 VanDerWaalsContact O-CB 3.29Å; M109-L113 WeakPolarHBondContact O-CB 3.49Å; M109-L113 WeakPolarHBondContact O-CG 3.2Å; M109-L113 PolarHBondContact O-N 3.22Å
110E66.2Low54.5Low146 Ų146138.3 Ų138.368%0.68268%0.682SS**Hα-helixtrans-56.6-38.4172.1-134.367.7-159.900113N108 G114N108-E110 PolarHBondContact O-N 3.02Å; N108-E110 VanDerWaalsContact OD1-CB 3.31Å; N108-E110 WeakPolarHBondContact OD1-CB 3.32Å; E110-G114 PolarHBondContact O-N 3Å
111E64.2Low53.4Low117 Ų117139.6 Ų139.655%0.54768%0.682SS.*Hα-helixtrans-79.8-34.5-178.5-172.5179.4163.600111.7N108 M109 Q115N108-E111 HydrophobicContact CB-CB 3.81Å; N108-E111 WeakPolarHBondContact CB-OE2 3.35Å; N108-E111 WeakPolarHBondContact ND2-CB 3.48Å; N108-E111 PolarHBondContact ND2-OE2 3.21Å; N108-E111 WeakPolarHBondContact O-CB 3.33Å; N108-E111 PolarHBondContact O-N 2.77Å; M109-E111 VanDerWaalsContact C-N 3.28Å; M109-E111 PolarHBondContact O-N 3.11Å; E111-Q115 WeakPolarHBondContact O-CG 3.41Å; E111-Q115 PolarHBondContact O-N 2.86Å; E111-Q115 VanDerWaalsContact O-N 3.17Å
112A61.5Low52.4Low53 Ų53143.1 Ų143.144%0.43869%0.686SS.*Hα-helixtrans-69.7-38.8171.300000111.9N108 M109 I116N108-A112 PolarHBondContact O-N 3.34Å; N108-A112 VanDerWaalsContact O-N 3.12Å; M109-A112 PolarHBondContact O-N 3.01Å; A112-I116 WeakPolarHBondContact O-CD1 3.42Å; A112-I116 WeakPolarHBondContact O-CG1 3.3Å; A112-I116 PolarHBondContact O-N 2.92Å
113L61.8Low51.5Low89 Ų89145.2 Ų145.247%0.46669%0.686SS.*Hα-helixtrans-72-42175.7-70.9169.6000111.2M109 Q115 I116 Q117M109-L113 VanDerWaalsContact O-CB 3.29Å; M109-L113 WeakPolarHBondContact O-CB 3.49Å; M109-L113 WeakPolarHBondContact O-CG 3.2Å; M109-L113 PolarHBondContact O-N 3.22Å; L113-Q115 VanDerWaalsContact C-N 3.27Å; L113-Q115 PolarHBondContact O-N 2.89Å; L113-I116 CarbonylContact O-C 3.54Å; L113-I116 WeakPolarHBondContact O-CA 3.39Å; L113-I116 PolarHBondContact O-N 2.86Å; L113-Q117 VanDerWaalsContact O-CB 3.29Å; L113-Q117 WeakPolarHBondContact O-CB 3.45Å; L113-Q117 PolarHBondContact O-N 3.2Å
114G61.9Low50.6Low41 Ų41140.9 Ų140.942%0.42368%0.676SS.*Hα-helixtrans-57.6-37.7173.600000113.2E110 I116 Q117 G118E110-G114 PolarHBondContact O-N 3Å; G114-I116 VanDerWaalsContact C-N 3.31Å; G114-I116 PolarHBondContact O-N 2.97Å; G114-Q117 PolarHBondContact O-N 3.45Å; G114-G118 PolarHBondContact O-N 3.41Å
115Q60.5Low50Low146 Ų146138.8 Ų138.868%0.68268%0.675SS**Hα-helixtrans-70.4-22.1173.5-75.4178.450.800114.2E111 L113E111-Q115 WeakPolarHBondContact O-CG 3.41Å; E111-Q115 PolarHBondContact O-N 2.86Å; E111-Q115 VanDerWaalsContact O-N 3.17Å; L113-Q115 VanDerWaalsContact C-N 3.27Å; L113-Q115 PolarHBondContact O-N 2.89Å
116I59.6Low49.5Very low120 Ų120133 Ų13362%0.61567%0.667SS**Hα-helixtrans-87-33.7174.1-67.4166000110.9A112 L113 G114A112-I116 WeakPolarHBondContact O-CD1 3.42Å; A112-I116 WeakPolarHBondContact O-CG1 3.3Å; A112-I116 PolarHBondContact O-N 2.92Å; L113-I116 CarbonylContact O-C 3.54Å; L113-I116 WeakPolarHBondContact O-CA 3.39Å; L113-I116 PolarHBondContact O-N 2.86Å; G114-I116 VanDerWaalsContact C-N 3.31Å; G114-I116 PolarHBondContact O-N 2.97Å
117Q56.8Low48.6Very low150 Ų150131.9 Ų131.970%0.70167%0.67SS**Hα-helixtrans-88.4-18.9-172.3-158.8162.51200113.3L113 G114 T119L113-Q117 VanDerWaalsContact O-CB 3.29Å; L113-Q117 WeakPolarHBondContact O-CB 3.45Å; L113-Q117 PolarHBondContact O-N 3.2Å; G114-Q117 PolarHBondContact O-N 3.45Å; Q117-T119 PolarHBondContact O-N 2.72Å
118G47.9Very low47.5Very low66 Ų66125.4 Ų125.468%0.6866%0.661SS**THydrogen-bonded Turntrans-69.711-178.100000117.6G114G114-G118 PolarHBondContact O-N 3.41Å
119T44.3Very low46.6Very low117 Ų117127.3 Ų127.372%0.71868%0.675SS**THydrogen-bonded Turntrans-136.222.8-175.9-30.70000113.5Q117Q117-T119 PolarHBondContact O-N 2.72Å
120W43.1Very low45.2Very low213 Ų213126.8 Ų126.881%0.80768%0.679SS**  trans-131.450.4-175.7-7284.9000114
121D33.8Very low43.7Very low145 Ų145125.1 Ų125.178%0.77568%0.684SS**  trans-107.190.3158.8-99.6-44.1000109.7
122W29.7Very low42.8Very low212 Ų212124.8 Ų124.880%0.80369%0.692SS**  trans-107.9112.9147.592.2-93.8000106.5
123Y32.9Very low41.4Very low188 Ų188127.5 Ų127.574%0.73770%0.703SS**  trans-77.2146-167.9-138-101.2000111.5
124T33.8Very low39.9Very low104 Ų104130 Ų13064%0.63872%0.717SS**  trans-66.6145-175.753.40000113.6
125Q32.8Very low38.7Very low167 Ų167134.3 Ų134.378%0.7874%0.735SS**  trans154149.2141.1-86.417334.200110.1
126T31.5Very low38.4Very low120 Ų120133 Ų13374%0.73674%0.74SS**  cis-141.3161.713.958.20000111.5
127S27.1Very low37Very low118 Ų118133.6 Ų133.683%0.82575%0.754SS**  trans63.3150141.6-160.70000120.5
128S31.8Very low35.8Very low97 Ų97137.3 Ų137.368%0.67876%0.762SS**  cis-172.8173.5-30.1-172.30000109
129V34.6Very low36.3Very low128 Ų128139.1 Ų139.178%0.77676%0.761SS**  trans71.9149.5161.6-137.90000119.9
130V33.2Very low36.2Very low125 Ų125139.5 Ų139.576%0.75877%0.766SS**  trans76.295.3161.7-166.80000118.9
131S33.7Very low35.8Very low112 Ų112134.2 Ų134.278%0.78376%0.762SS**  trans-72.1154.6142.4-25.20000109.4
132P46.1Very low35.7Very low110 Ų110133.8 Ų133.871%0.71477%0.765SS**  -142.9-16361.434.9-10.7000112.1
133T31.3Very low36Very low109 Ų109131.1 Ų131.167%0.66977%0.766SS**  cis-155.1173.412.7-26.80000111.1
134D32.3Very low36.5Very low142 Ų142127.8 Ų127.876%0.75977%0.767SS**  trans78.4159.6153.7-63.3-43.2000120.4
135T35.9Very low36.9Very low131 Ų131128.2 Ų128.280%0.80477%0.772SS**  trans-136-155.4-145.962.30000112.4
136P53.7Low37.4Very low120 Ų120126.9 Ų126.978%0.77978%0.775SS**  -112.1156.3-127.829.9-9000115.8
137S30Very low37.4Very low131 Ų131126.1 Ų126.192%0.91678%0.775SS**  trans-152164.5165.960.60000114.5
138R32.9Very low38Very low229 Ų229126.5 Ų126.586%0.86478%0.777SS**  trans-155.6159.5-168.9167.1-172.5177.3-121.7-0.6107.6
139P57Low38.3Very low103 Ų103131 Ų13167%0.66979%0.785SS**  cis-99.8-86.6-9.815.46.7000112.7
140P42.8Very low38.3Very low125 Ų125130.4 Ų130.481%0.81279%0.786SS**  cis-103.7-139.4-6.130.4-10.2000112.8
141S35Very low38.2Very low103 Ų103129.7 Ų129.772%0.7279%0.787SS**  trans-153.4140.4-178.4161.70000109.9
142T30.9Very low38.5Very low136 Ų136129.7 Ų129.783%0.83478%0.784SS**  -177.4146.3129.327.30000113.8
143N36.6Very low38.2Very low156 Ų156135.6 Ų135.683%0.83479%0.792SS**  trans-85.8171.2159.2-67.8-41.6000108.9
144P42.4Very low38.8Very low118 Ų118138.7 Ų138.777%0.76680%0.799SS**  cis-142.1-146.123.746.8-25.4000111.5
145P42.9Very low39.5Very low112 Ų112137.9 Ų137.973%0.72780%0.799SS**  cis-126.7174.3-19.140.1-24.7000114.9
146T44.3Very low40.3Very low140 Ų140135.2 Ų135.286%0.85978%0.78SS**  trans-68.3135.3165.844.30000112.6
147S31.5Very low41.1Very low104 Ų104133.8 Ų133.873%0.72777%0.769SS**  trans-139131.1152.269.90000110.7
148S39.9Very low42.6Very low125 Ų125131.5 Ų131.587%0.87476%0.758SS**  trans-84.4120.1-175.5-57.90000110.8
149K38.1Very low43.9Very low192 Ų192127.8 Ų127.884%0.83575%0.75SS**  trans-125.394.4164.4-71.3-170.1178.8-178.90110.2S151K149-S151 PolarHBondContact O-N 3.22Å
150S34.1Very low44.7Very low116 Ų116126.6 Ų126.681%0.81174%0.736SS**  trans-61.5112.2165.249.10000109.2
151S30.4Very low46.2Very low109 Ų109123 Ų12376%0.76272%0.716SS**PPolyproline II helixtrans-59.8131.4172.7-172.10000109.5K149 R153K149-S151 PolarHBondContact O-N 3.22Å; S151-R153 PolarHBondContact O-N 2.96Å
152P40.3Very low48.2Very low112 Ų112125.2 Ų125.273%0.72771%0.71SS**PPolyproline II helixtrans-65.3131.9-176.826.5-33.9000110.3Q154P152-Q154 PolarHBondContact O-N 2.77Å
153R40.9Very low50.6Low234 Ų234122.3 Ų122.388%0.88369%0.692SS**PPolyproline II helixtrans-60.3120.4160.9-81.3-175.2167.9-157-1.6107.6S151 T155S151-R153 PolarHBondContact O-N 2.96Å; R153-T155 VanDerWaalsContact C-N 3.29Å; R153-T155 PolarHBondContact O-N 2.93Å
154Q43.1Very low52.8Low174 Ų174120 Ų12081%0.81368%0.675SS**  trans-64.694.7163.6-73.4177-22.800108.2P152 L156P152-Q154 PolarHBondContact O-N 2.77Å; Q154-L156 PolarHBondContact O-N 3.32Å; Q154-L156 VanDerWaalsContact O-N 3.1Å
155T46.4Very low54.5Low125 Ų125119.1 Ų119.177%0.76766%0.663SS**  trans-72.698.2170.6-57.60000107.2R153 T157R153-T155 VanDerWaalsContact C-N 3.29Å; R153-T155 PolarHBondContact O-N 2.93Å; T155-T157 PolarHBondContact O-N 3.01Å
156L53.8Low56Low76 Ų76118.1 Ų118.140%0.39865%0.651SS.*  trans-58.6130.2-176.8-63.7173.2000110.6Q154 E160 K164Q154-L156 PolarHBondContact O-N 3.32Å; Q154-L156 VanDerWaalsContact O-N 3.1Å; L156-E160 WeakPolarHBondContact CA-OE2 3.42Å; L156-E160 HydrophobicContact CB-CB 4.2Å; L156-E160 HydrophobicContact CD2-CB 4.33Å; L156-K164 HydrophobicContact CD1-CD 4.05Å; L156-K164 VanDerWaalsContact CD1-NZ 3.28Å
157T70.7Confident57.2Low89 Ų89117 Ų11755%0.54664%0.636SS.*  trans-64.7152.7176.8-51.60000109.7T155 E159 E160 A161T155-T157 PolarHBondContact O-N 3.01Å; T157-E159 PolarHBondContact O-N 2.65Å; T157-E159 VanDerWaalsContact O-N 3.08Å; T157-E160 PolarHBondContact N-OE2 3.31Å; T157-E160 WeakPolarHBondContact O-CA 3.49Å; T157-E160 WeakPolarHBondContact O-CB 3.44Å; T157-E160 PolarHBondContact O-N 2.9Å; T157-E160 PolarHBondContact OG1-OE2 3.09Å; T157-A161 PolarHBondContact O-N 3.4Å
158A61Low59Low83 Ų83116.3 Ų116.369%0.68662%0.621SS**Hα-helixtrans-54.4-32.7-178.900000113.2A161 Y162A158-A161 PolarHBondContact O-N 3.02Å; A158-Y162 WeakPolarHBondContact O-CB 3.49Å; A158-Y162 PolarHBondContact O-N 3.07Å
159E60.7Low60.1Low151 Ų151115 Ų11571%0.70660%0.601SS**Hα-helixtrans-70.8-35.8174.9-169.9168.7-163.600113.2T157 A161 Y162 T163T157-E159 PolarHBondContact O-N 2.65Å; T157-E159 VanDerWaalsContact O-N 3.08Å; E159-A161 VanDerWaalsContact C-N 3.32Å; E159-Y162 PolarHBondContact O-N 3.33Å; E159-T163 WeakPolarHBondContact O-CB 3.41Å; E159-T163 WeakPolarHBondContact O-CG2 3.49Å; E159-T163 PolarHBondContact O-N 3.07Å; E159-T163 PolarHBondContact O-OG1 3.42Å
160E72.6Confident61.5Low79 Ų79114 Ų11437%0.36959%0.592SS.*Hα-helixtrans-68.5-32.3171.3-62.8-179.192.700111.9L156 T157 T163 K164L156-E160 WeakPolarHBondContact CA-OE2 3.42Å; L156-E160 HydrophobicContact CB-CB 4.2Å; L156-E160 HydrophobicContact CD2-CB 4.33Å; T157-E160 PolarHBondContact N-OE2 3.31Å; T157-E160 WeakPolarHBondContact O-CA 3.49Å; T157-E160 WeakPolarHBondContact O-CB 3.44Å; T157-E160 PolarHBondContact O-N 2.9Å; T157-E160 PolarHBondContact OG1-OE2 3.09Å; E160-T163 VanDerWaalsContact CA-OG1 3.31Å; E160-T163 WeakPolarHBondContact CA-OG1 3.2Å; E160-T163 PolarHBondContact O-OG1 3.01Å; E160-K164 VanDerWaalsContact O-CB 3.28Å; E160-K164 WeakPolarHBondContact O-CB 3.33Å; E160-K164 WeakPolarHBondContact O-CD 3.23Å; E160-K164 WeakPolarHBondContact O-CG 3.48Å; E160-K164 PolarHBondContact O-N 2.91Å; E160-K164 VanDerWaalsContact O-N 3.09Å
161A74.6Confident63.1Low48 Ų48112.5 Ų112.540%0.39757%0.574SS.*Hα-helixtrans-70.2-41.2172.100000111.6T157 A158 E159 K164 L165T157-A161 PolarHBondContact O-N 3.4Å; A158-A161 PolarHBondContact O-N 3.02Å; E159-A161 VanDerWaalsContact C-N 3.32Å; A161-K164 PolarHBondContact O-N 3.14Å; A161-L165 PolarHBondContact O-N 2.96Å
162Y77.9Confident64.6Low151 Ų151113.3 Ų113.359%0.59256%0.56SS**Hα-helixtrans-66.9-44.9177.6-175.9-113.2000112.5A158 E159 K164 L165 L166A158-Y162 WeakPolarHBondContact O-CB 3.49Å; A158-Y162 PolarHBondContact O-N 3.07Å; E159-Y162 PolarHBondContact O-N 3.33Å; Y162-K164 PolarHBondContact O-N 3.35Å; Y162-L165 WeakPolarHBondContact O-CB 3.4Å; Y162-L165 PolarHBondContact O-N 3.22Å; Y162-L166 HydrophobicContact CD1-CD1 3.98Å; Y162-L166 HydrophobicContact CE1-CD1 3.57Å; Y162-L166 HydrophobicContact CE1-CG 4.34Å; Y162-L166 PolarHBondContact O-N 2.96Å
163T80.4Confident65.5Low75 Ų75113.2 Ų113.246%0.4655%0.549SS..Hα-helixtrans-64.4-37.7174.748.60000112.2E159 E160 L166 H167E159-T163 WeakPolarHBondContact O-CB 3.41Å; E159-T163 WeakPolarHBondContact O-CG2 3.49Å; E159-T163 PolarHBondContact O-N 3.07Å; E159-T163 PolarHBondContact O-OG1 3.42Å; E160-T163 VanDerWaalsContact CA-OG1 3.31Å; E160-T163 WeakPolarHBondContact CA-OG1 3.2Å; E160-T163 PolarHBondContact O-OG1 3.01Å; T163-L166 PolarHBondContact O-N 2.85Å; T163-H167 WeakPolarHBondContact O-CB 3.35Å; T163-H167 PolarHBondContact O-N 3.25Å
164K81.9Confident66.1Low107 Ų107105.6 Ų105.647%0.46553%0.525SS..Hα-helixtrans-65.2-39.4171.6-76.8169.7-176170.40112.6L156 E160 A161 Y162 H167 E168L156-K164 HydrophobicContact CD1-CD 4.05Å; L156-K164 VanDerWaalsContact CD1-NZ 3.28Å; E160-K164 VanDerWaalsContact O-CB 3.28Å; E160-K164 WeakPolarHBondContact O-CB 3.33Å; E160-K164 WeakPolarHBondContact O-CD 3.23Å; E160-K164 WeakPolarHBondContact O-CG 3.48Å; E160-K164 PolarHBondContact O-N 2.91Å; E160-K164 VanDerWaalsContact O-N 3.09Å; A161-K164 PolarHBondContact O-N 3.14Å; Y162-K164 PolarHBondContact O-N 3.35Å; K164-H167 PolarHBondContact O-N 2.92Å; K164-E168 WeakPolarHBondContact O-CB 3.42Å; K164-E168 PolarHBondContact O-N 3.44Å
165L78.9Confident66.9Low100 Ų100103.2 Ų103.252%0.52452%0.517SS..Hα-helixtrans-63.1-41.5172.5-93.5169.3000112.6A161 Y162 E168 H169A161-L165 PolarHBondContact O-N 2.96Å; Y162-L165 WeakPolarHBondContact O-CB 3.4Å; Y162-L165 PolarHBondContact O-N 3.22Å; L165-E168 PolarHBondContact O-N 2.81Å; L165-H169 WeakPolarHBondContact O-CB 3.48Å; L165-H169 PolarHBondContact O-N 3.39Å
166L73.8Confident67.2Low90 Ų90103.5 Ų103.547%0.47151%0.51SS..Hα-helixtrans-64.4-40.5174.6-75.2172.5000112.2Y162 T163 H169 R170Y162-L166 HydrophobicContact CD1-CD1 3.98Å; Y162-L166 HydrophobicContact CE1-CD1 3.57Å; Y162-L166 HydrophobicContact CE1-CG 4.34Å; Y162-L166 PolarHBondContact O-N 2.96Å; T163-L166 PolarHBondContact O-N 2.85Å; L166-H169 PolarHBondContact O-N 2.91Å; L166-R170 PolarHBondContact O-N 3.33Å
167H70.9Confident67Low118 Ų118104.8 Ų104.855%0.54652%0.516SS..Hα-helixtrans-66.5-44.6176.2-174.353.4000111.8T163 K164 H169 R170 I171T163-H167 WeakPolarHBondContact O-CB 3.35Å; T163-H167 PolarHBondContact O-N 3.25Å; K164-H167 PolarHBondContact O-N 2.92Å; H167-H169 VanDerWaalsContact C-N 3.33Å; H167-H169 PolarHBondContact O-N 3.46Å; H167-R170 WeakPolarHBondContact O-CB 3.25Å; H167-R170 PolarHBondContact O-N 3.46Å; H167-I171 WeakPolarHBondContact O-CG1 3.45Å; H167-I171 PolarHBondContact O-N 2.98Å
168E69Low65.6Low88 Ų88106.1 Ų106.141%0.41152%0.516SS..Hα-helixtrans-64-38.4175.4-158.8-164.9168.700111.6K164 L165 R170 I171 R172K164-E168 WeakPolarHBondContact O-CB 3.42Å; K164-E168 PolarHBondContact O-N 3.44Å; L165-E168 PolarHBondContact O-N 2.81Å; E168-R170 VanDerWaalsContact C-N 3.32Å; E168-R170 PolarHBondContact O-N 3.22Å; E168-I171 PolarHBondContact O-N 3.37Å; E168-R172 WeakPolarHBondContact O-CB 3.38Å; E168-R172 VanDerWaalsContact O-CG 3.25Å; E168-R172 WeakPolarHBondContact O-CG 3.2Å; E168-R172 PolarHBondContact O-N 2.73Å; E168-R172 IonicContact OE1-CZ 3.16Å; E168-R172 IonicContact OE1-NE 3.86Å; E168-R172 PolarHBondContact OE1-NE 3.45Å; E168-R172 IonicContact OE1-NH2 2.72Å; E168-R172 PolarHBondContact OE1-NH2 3.46Å; E168-R172 IonicContact OE2-CZ 3.55Å; E168-R172 IonicContact OE2-NH2 2.87Å; E168-R172 PolarHBondContact OE2-NH2 2.87Å
169H62.8Low64.6Low97 Ų97104.9 Ų104.945%0.44950%0.503SS..Hα-helixtrans-69.9-25.7175.8-170.2-116.2000113.2L165 L166 H167 K173L165-H169 WeakPolarHBondContact O-CB 3.48Å; L165-H169 PolarHBondContact O-N 3.39Å; L166-H169 PolarHBondContact O-N 2.91Å; H167-H169 VanDerWaalsContact C-N 3.33Å; H167-H169 PolarHBondContact O-N 3.46Å; H169-K173 WeakPolarHBondContact O-CG 3.39Å; H169-K173 PolarHBondContact O-N 2.86Å
170R66.8Low63.6Low173 Ų173105.5 Ų105.565%0.65350%0.503SS*.Hα-helixtrans-69.3-54.6166.1173.9174.4-77165.9-4110.4L166 H167 E168 R172 K173 D174L166-R170 PolarHBondContact O-N 3.33Å; H167-R170 WeakPolarHBondContact O-CB 3.25Å; H167-R170 PolarHBondContact O-N 3.46Å; E168-R170 VanDerWaalsContact C-N 3.32Å; E168-R170 PolarHBondContact O-N 3.22Å; R170-R172 VanDerWaalsContact C-N 3.26Å; R170-R172 PolarHBondContact O-N 3.19Å; R170-K173 WeakPolarHBondContact O-CA 3.28Å; R170-K173 WeakPolarHBondContact O-CB 3.31Å; R170-K173 PolarHBondContact O-N 3.49Å; R170-D174 VanDerWaalsContact CG-OD2 3.25Å; R170-D174 WeakPolarHBondContact CG-OD2 3.2Å; R170-D174 VanDerWaalsContact O-CG 3.27Å; R170-D174 PolarHBondContact O-N 3.36Å
171I68.4Low62.1Low84 Ų84107.3 Ų107.343%0.43151%0.512SS..Hα-helixtrans-53.9-41.8178.8-68.2166.7000112H167 E168 K173 D174 L175H167-I171 WeakPolarHBondContact O-CG1 3.45Å; H167-I171 PolarHBondContact O-N 2.98Å; E168-I171 PolarHBondContact O-N 3.37Å; I171-K173 VanDerWaalsContact C-N 3.35Å; I171-K173 PolarHBondContact O-N 2.86Å; I171-D174 PolarHBondContact O-N 2.92Å; I171-L175 VanDerWaalsContact O-CB 3.3Å; I171-L175 WeakPolarHBondContact O-CB 3.49Å; I171-L175 PolarHBondContact O-N 3.09Å
172R61.6Low60.3Low126 Ų126108.2 Ų108.248%0.47552%0.519SS..Hα-helixtrans-61.2-39.7176.3-72.8171-169.6167.30.5112.5E168 R170 E176E168-R172 WeakPolarHBondContact O-CB 3.38Å; E168-R172 VanDerWaalsContact O-CG 3.25Å; E168-R172 WeakPolarHBondContact O-CG 3.2Å; E168-R172 PolarHBondContact O-N 2.73Å; E168-R172 IonicContact OE1-CZ 3.16Å; E168-R172 IonicContact OE1-NE 3.86Å; E168-R172 PolarHBondContact OE1-NE 3.45Å; E168-R172 IonicContact OE1-NH2 2.72Å; E168-R172 PolarHBondContact OE1-NH2 3.46Å; E168-R172 IonicContact OE2-CZ 3.55Å; E168-R172 IonicContact OE2-NH2 2.87Å; E168-R172 PolarHBondContact OE2-NH2 2.87Å; R170-R172 VanDerWaalsContact C-N 3.26Å; R170-R172 PolarHBondContact O-N 3.19Å; R172-E176 VanDerWaalsContact O-CB 3.3Å; R172-E176 WeakPolarHBondContact O-CB 3.24Å; R172-E176 PolarHBondContact O-N 3.18Å
173K58.2Low58.3Low110 Ų110107.2 Ų107.248%0.47852%0.524SS..Hα-helixtrans-70.2-41.7176.3-75.8-176.3174-169.30112.4H169 R170 I171 L175 E176 I177H169-K173 WeakPolarHBondContact O-CG 3.39Å; H169-K173 PolarHBondContact O-N 2.86Å; R170-K173 WeakPolarHBondContact O-CA 3.28Å; R170-K173 WeakPolarHBondContact O-CB 3.31Å; R170-K173 PolarHBondContact O-N 3.49Å; I171-K173 VanDerWaalsContact C-N 3.35Å; I171-K173 PolarHBondContact O-N 2.86Å; K173-L175 VanDerWaalsContact C-N 3.29Å; K173-L175 PolarHBondContact O-N 3.34Å; K173-E176 PolarHBondContact O-N 2.92Å; K173-I177 WeakPolarHBondContact O-CG1 3.47Å; K173-I177 PolarHBondContact O-N 2.89Å
174D55.3Low56.4Low74 Ų74111.2 Ų111.240%0.39654%0.537SS..Hα-helixtrans-64.8-38.3179-55.1-28.2000110.3R170 I171 I177 H178R170-D174 VanDerWaalsContact CG-OD2 3.25Å; R170-D174 WeakPolarHBondContact CG-OD2 3.2Å; R170-D174 VanDerWaalsContact O-CG 3.27Å; R170-D174 PolarHBondContact O-N 3.36Å; I171-D174 PolarHBondContact O-N 2.92Å; D174-I177 PolarHBondContact O-N 3.3Å; D174-H178 PolarHBondContact O-CD2 3.02Å; D174-H178 PolarHBondContact O-N 3.17Å; D174-H178 VanDerWaalsContact O-N 3.13Å
175L58.4Low54.4Low123 Ų123113.5 Ų113.564%0.64455%0.554SS**Hα-helixtrans-69.4-35.7172.9-16669000113.1I171 K173 H178 S179I171-L175 VanDerWaalsContact O-CB 3.3Å; I171-L175 WeakPolarHBondContact O-CB 3.49Å; I171-L175 PolarHBondContact O-N 3.09Å; K173-L175 VanDerWaalsContact C-N 3.29Å; K173-L175 PolarHBondContact O-N 3.34Å; L175-H178 PolarHBondContact O-N 2.82Å; L175-S179 WeakPolarHBondContact O-CB 3.34Å; L175-S179 PolarHBondContact O-N 3.12Å
176E52.3Low52.3Low132 Ų132112.6 Ų112.662%0.61756%0.556SS**Hα-helixtrans-66.3-37.9175.4-169.6167.4-133.200111.4R172 K173 S179R172-E176 VanDerWaalsContact O-CB 3.3Å; R172-E176 WeakPolarHBondContact O-CB 3.24Å; R172-E176 PolarHBondContact O-N 3.18Å; K173-E176 PolarHBondContact O-N 2.92Å; E176-S179 PolarHBondContact O-N 2.89Å; E176-S179 PolarHBondContact O-OG 3.03Å
177I51.3Low50.3Low103 Ų103115.2 Ų115.253%0.52857%0.571SS.*Hα-helixtrans-61.8-52.7171.7-68.8163.1000110.5K173 D174 S179 F180K173-I177 WeakPolarHBondContact O-CG1 3.47Å; K173-I177 PolarHBondContact O-N 2.89Å; D174-I177 PolarHBondContact O-N 3.3Å; I177-S179 PolarHBondContact O-N 3.44Å; I177-F180 WeakPolarHBondContact O-CB 3.37Å; I177-F180 PolarHBondContact O-N 3.46Å
178H40.9Very low48.5Very low116 Ų116117.3 Ų117.354%0.53758%0.584SS.*Hα-helixtrans-63.3-27.8179.1-71-48.9000113.5D174 L175 F180 E181 A182D174-H178 PolarHBondContact O-CD2 3.02Å; D174-H178 PolarHBondContact O-N 3.17Å; D174-H178 VanDerWaalsContact O-N 3.13Å; L175-H178 PolarHBondContact O-N 2.82Å; H178-F180 PolarHBondContact O-N 2.76Å; H178-E181 IonicContact ND1-OE2 2.83Å; H178-E181 PolarHBondContact O-N 3.48Å; H178-A182 WeakPolarHBondContact O-CB 3.49Å; H178-A182 PolarHBondContact O-N 2.97Å
179S39.9Very low46.7Very low58 Ų58118.4 Ų118.441%0.40660%0.601SS.*Hα-helixtrans-65.3-23.4173.982.70000113.8L175 E176 I177 N183L175-S179 WeakPolarHBondContact O-CB 3.34Å; L175-S179 PolarHBondContact O-N 3.12Å; E176-S179 PolarHBondContact O-N 2.89Å; E176-S179 PolarHBondContact O-OG 3.03Å; I177-S179 PolarHBondContact O-N 3.44Å; S179-N183 PolarHBondContact O-ND2 2.83Å
180F39.8Very low45.3Very low163 Ų163121.3 Ų121.372%0.71562%0.619SS**Hα-helixtrans-85.1-24.9177.3-109.3-86.7000113.4I177 H178I177-F180 WeakPolarHBondContact O-CB 3.37Å; I177-F180 PolarHBondContact O-N 3.46Å; H178-F180 PolarHBondContact O-N 2.76Å
181E41.2Very low43.6Very low118 Ų118118.4 Ų118.455%0.55163%0.625SS**Hα-helixtrans-86.4-41175.7-67.3-175.4128.700112.1H178 N183 Q184H178-E181 IonicContact ND1-OE2 2.83Å; H178-E181 PolarHBondContact O-N 3.48Å; E181-N183 PolarHBondContact O-N 3.27Å; E181-N183 VanDerWaalsContact O-N 3.11Å; E181-Q184 PolarHBondContact O-N 3.18Å; E181-Q184 VanDerWaalsContact O-N 3.09Å
182A35.8Very low41.8Very low67 Ų67123.5 Ų123.555%0.55465%0.647SS**Hα-helixtrans-59.5-27.5-176.500000114.1H178H178-A182 WeakPolarHBondContact O-CB 3.49Å; H178-A182 PolarHBondContact O-N 2.97Å
183N37.6Very low40.5Very low130 Ų130122.7 Ų122.770%0.69566%0.661SS**THydrogen-bonded Turntrans-90.914.9-180-68.6-69.8000114.2S179 E181S179-N183 PolarHBondContact O-ND2 2.83Å; E181-N183 PolarHBondContact O-N 3.27Å; E181-N183 VanDerWaalsContact O-N 3.11Å
184Q40.5Very low39.3Very low158 Ų158125.5 Ų125.574%0.73868%0.68SS**THydrogen-bonded Turntrans-11912.4173.1-68.8-166.7104.900113.9E181E181-Q184 PolarHBondContact O-N 3.18Å; E181-Q184 VanDerWaalsContact O-N 3.09Å
185L38.1Very low38.1Very low155 Ų155129.3 Ų129.381%0.81270%0.699SS**SBendtrans-121.39.1-175.4-70.2172.5000114.8
186S36.6Very low36.9Very low82 Ų82127.5 Ų127.557%0.57370%0.697SS**SBendtrans-96.3-13-175.4550000116.5
187D30.9Very low35.9Very low145 Ų145130.1 Ų130.178%0.77571%0.706SS**SBendtrans-131.329.2-165.5-71.3-77.7000114.5
188I32.6Very low34.7Very low161 Ų161133.2 Ų133.283%0.82672%0.724SS**  trans-133.185.2170-51.6-179000110.3
189S32.3Very low34.7Very low111 Ų111132.2 Ų132.278%0.77673%0.73SS**  trans-144.347.4171.859.10000113
190I31.9Very low34.4Very low159 Ų159137.2 Ų137.282%0.81575%0.751SS**  trans-114.7114.4155.8-58.9-179.4000107.3
191S32.6Very low34.2Very low112 Ų112138.5 Ų138.578%0.78376%0.76SS**  trans-94.8117.9178.9-56.30000110.1
192E29.6Very low33.8Very low191 Ų191137.6 Ų137.689%0.89376%0.759SS**  trans-121.1128.1155.5-77.5-159.813100109.8
193S35.3Very low33.8Very low109 Ų109141.7 Ų141.776%0.76277%0.767SS**  trans-109.596.4-169.9-66.70000111.4
194L31.8Very low33.5Very low169 Ų169140.2 Ų140.289%0.88576%0.759SS**  trans-140.5123.4161.8-68.2178.5000107.1
195L29.8Very low33.2Very low153 Ų153137.6 Ų137.680%0.80176%0.758SS**  cis5710517.3-152.775.3000112.3
196S34.7Very low32.8Very low85 Ų85136.4 Ų136.459%0.59475%0.752SS**  cis-157.1172.313.2-139.90000111.9
197K30.8Very low32.6Very low187 Ų187141.7 Ų141.781%0.81377%0.768SS**  trans49.6119153.2-64.4166.1-178.7178.70118.3
198D27Very low32.4Very low168 Ų168139.8 Ų139.890%0.89877%0.766SS**  -128.9139.4109.2-155-10.5000108.6
199S39.4Very low32.3Very low96 Ų96138 Ų13867%0.67176%0.763SS**  trans-164.577-164.4177.40000113.5
200L34.7Very low32.1Very low162 Ų162142.7 Ų142.785%0.84877%0.77SS**  trans-145.6150.2150.7-92.2124.9000107.2
201E35.7Very low32Very low190 Ų190140 Ų14089%0.88877%0.765SS**  cis-112.5150.413.3-65170.1137.200113.3
202N32.7Very low32.1Very low100 Ų100140.5 Ų140.554%0.53577%0.765SS.*  trans-109.5143.3165.8137.695000107.6N204N202-N204 PolarHBondContact OD1-ND2 3.35Å
203E35.8Very low32.1Very low153 Ų153142.3 Ų142.372%0.71576%0.764SS**  -155.2155128.7-109.1-42.8121.500112.1
204N31.2Very low31.6Very low99 Ų99142.3 Ų142.353%0.52976%0.764SS.*  trans-89.1167.4-164.2-57.5-86.2000110.5N202N202-N204 PolarHBondContact OD1-ND2 3.35Å
205S34.6Very low31.6Very low103 Ų103141.2 Ų141.272%0.7276%0.758SS**  -167122.480.5-77.20000114.7
206N29.6Very low31.4Very low129 Ų129143.4 Ų143.469%0.6976%0.757SS**  48.2102.3121.2-53.5-36.3000119.9
207Q31.9Very low30.9Very low193 Ų193143.8 Ų143.890%0.90276%0.76SS**  -155.8108.8125.3-107.3158.17800107.9
208S25.9Very low30.8Very low106 Ų106138.3 Ų138.374%0.74175%0.745SS**  7888.384.2-1730000113.3
209T31.7Very low30.9Very low123 Ų123139.1 Ų139.176%0.75574%0.737SS**  trans18.4110138.8-47.90000117.8
210F27.9Very low30.5Very low210 Ų210143.9 Ų143.992%0.92175%0.746SS**  -156.1133.9124.2-102.5-67.5000110.4
211S29.6Very low30.4Very low103 Ų103143.1 Ų143.172%0.7274%0.742SS**  trans-141.8122.6175.4175.70000109.8
212P34Very low30Very low122 Ų122140.7 Ų140.779%0.79274%0.735SS**  trans-109.194.2161.433.6-23.5000110S214P212-S214 PolarHBondContact O-N 3.42Å
213R29.8Very low30Very low228 Ų228145.3 Ų145.386%0.8675%0.751SS**  trans-71.1104.1161.5178.6-175.2-176177.61.9108
214S24Very low29.9Very low109 Ų109144.9 Ų144.976%0.76275%0.749SS**  trans-114123173.3-167.80000111.1P212P212-S214 PolarHBondContact O-N 3.42Å
215L31.8Very low29.8Very low147 Ų147147.8 Ų147.877%0.7776%0.757SS**  trans-131.4106.2171.2-93.6168.4000106.8
216Y25.7Very low29.6Very low199 Ų199150.2 Ų150.278%0.7876%0.761SS**  trans-164.5154.8164.5-125.8-112.9000105.9
217S25.8Very low29.5Very low92 Ų92150.5 Ų150.564%0.64376%0.758SS**  cis-137.4156.48.6-161.60000111.2
218S26.9Very low29.3Very low73 Ų73150 Ų15051%0.5175%0.753SS.*  trans-113.3-161.1153.357.70000109
219Y29.5Very low29.5Very low184 Ų184154 Ų15472%0.72275%0.752SS**  trans73.9146.5175.2-42.6-72.4000116.8
220F31.3Very low29.4Very low196 Ų196155.2 Ų155.286%0.8675%0.749SS**  cis-164.5168.5-40.2-134.6-90.4000106.6
221L33.3Very low29.3Very low147 Ų147149.7 Ų149.777%0.7773%0.729SS**  trans-75.7152.2163.6-62.8165.3000108.4
222D27.4Very low29.5Very low138 Ų138151.6 Ų151.674%0.73873%0.73SS**  -170.4-160.353.6-138-32.3000112.9
223F32.4Very low29.4Very low197 Ų197151.2 Ų151.286%0.86473%0.725SS**  trans-75.3177.7-164.1-90.3-89.1000121.3
224E32.7Very low29.9Very low144 Ų144146.2 Ų146.267%0.67372%0.722SS**  trans-60.2151.8-169.3-97-162.510100121.1
225K30.3Very low30Very low160 Ų160149.8 Ų149.870%0.69672%0.724SS**  trans64.4113.3131.6-175.9-169.8-84.2134.60120.3
226L29.5Very low30Very low154 Ų154147.2 Ų147.281%0.80672%0.718SS**  -166.8147.5100.7-163.961.4000114.8
227E27.3Very low30.1Very low135 Ų135142.2 Ų142.263%0.63172%0.718SS**  trans-33.8149.6175.8-118.7173.7121.100124.1
228K28.9Very low31.1Very low183 Ų183143.3 Ų143.380%0.79672%0.723SS**  trans83.9157.1144.2-90.3161.3-176.4156.70122.6
229R29.5Very low31Very low189 Ų189145.6 Ų145.671%0.71373%0.734SS**  trans-118179.1-165.3-84.1-179.8166.1-131.86.6110.6D231R229-D231 WeakPolarHBondContact CD-OD1 3.36Å; R229-D231 WeakPolarHBondContact CG-OD1 3.38Å; R229-D231 IonicContact CZ-OD1 3Å; R229-D231 IonicContact CZ-OD2 2.67Å; R229-D231 IonicContact NE-OD1 2.89Å; R229-D231 PolarHBondContact NE-OD1 3.05Å; R229-D231 IonicContact NH1-OD1 3.46Å; R229-D231 PolarHBondContact NH1-OD1 3.46Å; R229-D231 IonicContact NH1-OD2 3.16Å; R229-D231 PolarHBondContact NH1-OD2 2.96Å
230H29.1Very low31.1Very low150 Ų150141.5 Ų141.569%0.69473%0.733SS**  cis-157.5158.334.8-67.5-96.2000112.8
231D26.6Very low31Very low94 Ų94138.4 Ų138.450%0.50373%0.729SS.*  cis-151.2-65.3-21.2-105.5-17.5000112.9R229R229-D231 WeakPolarHBondContact CD-OD1 3.36Å; R229-D231 WeakPolarHBondContact CG-OD1 3.38Å; R229-D231 IonicContact CZ-OD1 3Å; R229-D231 IonicContact CZ-OD2 2.67Å; R229-D231 IonicContact NE-OD1 2.89Å; R229-D231 PolarHBondContact NE-OD1 3.05Å; R229-D231 IonicContact NH1-OD1 3.46Å; R229-D231 PolarHBondContact NH1-OD1 3.46Å; R229-D231 IonicContact NH1-OD2 3.16Å; R229-D231 PolarHBondContact NH1-OD2 2.96Å
232L33.8Very low30.8Very low142 Ų142137.2 Ų137.274%0.74373%0.733SS**  cis-138.8-128.7-7.5-134.7171.6000111.4
233T31.1Very low30.8Very low114 Ų114135.1 Ų135.170%0.69974%0.735SS**  trans-149.3167.7-170.257.40000111.9
234P41.8Very low30.5Very low123 Ų123132.7 Ų132.780%0.79974%0.736SS**  cis-137.1-171.118.735.3-12.3000116.5
235K25.3Very low30.5Very low185 Ų185131.6 Ų131.680%0.80474%0.74SS**  cis-177.6135.4-40.6-176.9-177.8168.6-178.80110.6
236S31.3Very low30.6Very low92 Ų92131.8 Ų131.864%0.64375%0.747SS**  trans33122.6160.967.30000121.7
237A28.7Very low30.5Very low94 Ų94132.6 Ų132.678%0.77775%0.747SS**  75.1169.376.300000114.4
238P45.8Very low30.4Very low115 Ų115134.3 Ų134.375%0.74776%0.755SS**  cis-145.5-168.38.645.3-24.5000118.1
239T26.6Very low30.5Very low121 Ų121134.9 Ų134.974%0.74276%0.761SS**  trans76.493.1147.3-50.40000123.3
240S30.8Very low30.3Very low98 Ų98133.1 Ų133.169%0.68577%0.765SS**  trans3.6149.813560.40000124.8
241V28.1Very low31.1Very low131 Ų131131.1 Ų131.179%0.79477%0.766SS**  156149.4121.3158.20000114.7
242S30.6Very low30.9Very low122 Ų122131.1 Ų131.185%0.85378%0.778SS**  trans86.7156157.3-88.40000123
243A26.3Very low30.8Very low94 Ų94132.8 Ų132.878%0.77779%0.787SS**  trans-139.6159.5-179.700000110.8
244V27.6Very low30.6Very low146 Ų146134.7 Ų134.789%0.88579%0.792SS**  trans-142.5155.9175.8179.30000109.7
245T32.1Very low29.8Very low121 Ų121139.3 Ų139.374%0.74279%0.794SS**  trans-132.1170.3-179.150.30000112.5
246L33.1Very low30Very low164 Ų164139.5 Ų139.586%0.85980%0.795SS**  trans91.2156.5161.6-60.8176.6000120.8
247Q26.2Very low29.9Very low172 Ų172144.5 Ų144.580%0.80481%0.805SS**  trans64.9111.4171.6-103.8160.1-8.100118
248E25.9Very low29.8Very low170 Ų170147.6 Ų147.679%0.79481%0.809SS**  cis87.8103.534.1-170.1-175-131.700114.3
249Q29.9Very low29.1Very low196 Ų196150.7 Ų150.792%0.91681%0.81SS**  trans-155.6143.6143.6-120.4169.752.700112.3
250N25.4Very low29.4Very low152 Ų152153.6 Ų153.681%0.81382%0.815SS**  trans-118.2178174.8-119.3-38.3000106.6
251P45.7Very low29.3Very low108 Ų108157.7 Ų157.770%0.70182%0.821SS**  cis-135.2-176.6-11.937.5-18.1000114.2
252A24Very low29.2Very low93 Ų93160.4 Ų160.477%0.76982%0.824SS**  trans30.2132.4144.300000122.6
253L31.6Very low29.2Very low178 Ų178160.5 Ų160.593%0.93281%0.811SS**  trans-141.5135134.4-116.6-179.3000112
254L26.1Very low29.2Very low153 Ų153166.6 Ų166.680%0.80181%0.814SS**  trans-119.5113.3-177176.3143.9000110.1
255R25.4Very low29.2Very low221 Ų221171.4 Ų171.483%0.83482%0.817SS**  trans172.3151.4168.3-98.8162.6-162.3-140.59.1108.3
256K28.5Very low29.3Very low189 Ų189170.1 Ų170.182%0.82282%0.818SS**  cis-161.6171.8-25.7-123.5-174.9-171.7-1750107.5
257F30Very low29Very low197 Ų197169.8 Ų169.886%0.86482%0.817SS**  trans-51.9152.1170.3-88.9-103.1000113.9
258D27Very low29.6Very low158 Ų158166.2 Ų166.285%0.84581%0.811SS**  trans-143.2174142.8-142.2-26.5000112.3
259K30.8Very low29.5Very low181 Ų181167.4 Ų167.479%0.78781%0.814SS**  trans-123.2168.2-157.9-70.5178.6177.41760116.1
260H31.5Very low29.4Very low182 Ų182168.2 Ų168.284%0.84381%0.809SS**  trans-48.6146.3170-54.2-104.1000115.6
261K29.6Very low29.7Very low184 Ų184166.4 Ų166.480%0.881%0.808SS**  170.7133.7100.9-104.1-164.4171.2-166.20115.9
262Q26.9Very low29Very low187 Ų187167.9 Ų167.987%0.87481%0.805SS**  trans-172.4153.5146.3-110.1172.113.500108.2
263E29.2Very low29.4Very low124 Ų124170.2 Ų170.258%0.57981%0.805SS**  cis73.3126.612.8-94.6-174.49300116
264R26.7Very low29.2Very low222 Ų222168.1 Ų168.184%0.83880%0.795SS**  cis-145.8-177.515.8-90.3-170.3-177.31774.9113.8
265R28.2Very low29.4Very low248 Ų248166.3 Ų166.394%0.93679%0.789SS**  trans-96.5150.6170-57.8172174.5171.8-4.1113.2
266A33.4Very low29.6Very low93 Ų93162.3 Ų162.377%0.76979%0.785SS**  trans-170159.314100000107
267D26.8Very low29.4Very low157 Ų157160.2 Ų160.284%0.8479%0.787SS**  cis-146.2-172.622.7-126.7-40.1000113.4
268S38.9Very low29.2Very low98 Ų98159 Ų15969%0.68578%0.782SS**  trans-142.6168.3-164.968.70000117.7
269K24.6Very low29.3Very low194 Ų194158.6 Ų158.684%0.84378%0.779SS**  trans-166.6123.6153.2-101146.9-172.6174.50109.8
270W28.1Very low29Very low214 Ų214156 Ų15681%0.81178%0.779SS**  70.7129.885.1-128.4-93000112.5H272W270-H272 AromaticContact CE2-CD2 3.92Å; W270-H272 AromaticContact CZ2-CD2 3.94Å; W270-H272 AromaticContact NE1-CD2 3.94Å
271S31.4Very low29Very low114 Ų114152.9 Ų152.980%0.79778%0.777SS**  cis-147.4179.249.159.50000118.2
272H29.6Very low29.6Very low138 Ų138150.1 Ų150.164%0.63978%0.778SS**  trans-109.6165.2-170.4-82.3-81000114.8W270W270-H272 AromaticContact CE2-CD2 3.92Å; W270-H272 AromaticContact CZ2-CD2 3.94Å; W270-H272 AromaticContact NE1-CD2 3.94Å
273N32.2Very low29.6Very low143 Ų143151.6 Ų151.677%0.76578%0.776SS**  160.8147128.4-81.9-3.9000110.1
274N28.1Very low29.6Very low134 Ų134151.6 Ų151.672%0.71778%0.784SS**  cis-153.6147.219.2-101.9-23.5000114.1
275V30Very low29.7Very low114 Ų114145.9 Ų145.969%0.69177%0.774SS**  trans59.1106.7137.3-172.70000123.2
276D29.6Very low29.7Very low138 Ų138138 Ų13874%0.73876%0.757SS**  33140.7126.8-46.7-31.9000125.8
277V25.3Very low29.4Very low144 Ų144141.3 Ų141.387%0.87376%0.756SS**  -170.8158110.1146.80000111.1
278F26.2Very low29.4Very low171 Ų171141 Ų14175%0.7575%0.75SS**  trans-92.8148-164-70.5-94.5000117.5
279L27.7Very low28.8Very low151 Ų151143.6 Ų143.679%0.79175%0.751SS**  trans49.3164.4131-57.3175.7000120.8
280T25.6Very low28.7Very low127 Ų127140.2 Ų140.278%0.77975%0.747SS**  cis-142163.521.645.10000114.5
281S30.2Very low29.4Very low115 Ų115134.8 Ų134.880%0.80474%0.739SS**  trans-102.2164.2165.8-47.50000112.1
282P42.8Very low29.1Very low127 Ų127136.8 Ų136.883%0.82574%0.741SS**  trans-139.2160.8141.738.3-26.7000112.4
283R27.3Very low28.9Very low217 Ų217135.2 Ų135.282%0.81975%0.745SS**  cis-156159-24.9165.4170.9175.11621.9106.6
284V29.7Very low28.5Very low124 Ų124135.9 Ų135.975%0.75275%0.748SS**  trans-118.3155.9172.6-174.30000112
285T27.1Very low28.4Very low102 Ų102134.2 Ų134.263%0.62675%0.747SS**  trans-144.4112.2156.245.90000106.7
286S29.4Very low28.1Very low84 Ų84135.8 Ų135.859%0.58775%0.751SS**  95.2136.189-65.20000111.8
287E26.9Very low27.8Very low161 Ų161133.5 Ų133.575%0.75275%0.746SS**  cis-162.2-162.7-11.1-135.969.2-92.800105.7
288E26.6Very low27.7Very low150 Ų150132.2 Ų132.270%0.70174%0.738SS**  cis-165.7174.3-1.5154.9169.3-178.300108.2
289Q26.1Very low28.1Very low153 Ų153131.5 Ų131.572%0.71574%0.742SS**  trans67.792.2160.9-85.816753.800121.7
290T23.2Very low28.7Very low124 Ų124130 Ų13076%0.76174%0.74SS**  18.5161.6111.652.30000122.3
291P43.3Very low28.7Very low99 Ų99130.1 Ų130.164%0.64374%0.737SS**  cis-140.9-174.7-17.737.3-17000115.6
292D24.8Very low28.7Very low157 Ų157132.8 Ų132.884%0.8474%0.736SS**  trans63.5165.8151.1-62.5-26.9000119.2
293S25.2Very low28.2Very low104 Ų104133 Ų13373%0.72773%0.731SS**  cis-142.6169.39.272.20000115
294L23.3Very low28.5Very low157 Ų157126.6 Ų126.682%0.82272%0.719SS**  trans-95.4167.2151.9-77.6166000109.5
295S25.4Very low28.8Very low99 Ų99128.3 Ų128.369%0.69272%0.716SS**  trans76.3175.2160.4-34.10000114.9
296L23.7Very low29Very low147 Ų147131.3 Ų131.377%0.7772%0.723SS**  cis-155.5166.412.1-165.470.7000110.9
297S23.8Very low29Very low90 Ų90135.7 Ų135.763%0.62973%0.732SS**  trans59.1127.2148450000120.4
298T23.6Very low28.9Very low118 Ų118134.2 Ų134.272%0.72473%0.733SS**  cis97.496.949.9-640000112.7
299L34.6Very low28.9Very low156 Ų156130.9 Ų130.982%0.81773%0.731SS**  trans58.3-172.4153.5-61.3173.7000115.5
300P39.3Very low29.2Very low118 Ų118132.8 Ų132.877%0.76674%0.737SS**  cis-87.9164.4-28.6-0.824.2000111.6
301N26.8Very low29.4Very low131 Ų131131.9 Ų131.970%0.70174%0.736SS**  79.5136.953.4-153.957000114.2
302E30.4Very low28.7Very low170 Ų170134.9 Ų134.979%0.79474%0.744SS**  trans67145.7174.2-74.5163.7-132.500118.6
303D32.8Very low28.8Very low133 Ų133134.6 Ų134.671%0.71174%0.74SS**  cis-163.4179-25.4-164.114000110.8
304S32.8Very low28.9Very low81 Ų81135.8 Ų135.857%0.56674%0.739SS**  trans88.386.4143.6-165.80000122.1
305K35.8Very low29.2Very low161 Ų161132.8 Ų132.870%0.773%0.73SS**  59119.8117.6-61.7155.9-173.3149.50122.7
306H32Very low29.5Very low164 Ų164135.6 Ų135.676%0.75973%0.733SS**  trans64.7163133.9-75.4-104.6000119.6
307F27.7Very low29.9Very low177 Ų177133.8 Ų133.878%0.77673%0.728SS**  cis-152.8175.816.8-137.5-71.7000111.3
308V24.9Very low30.2Very low129 Ų129137.7 Ų137.778%0.78274%0.736SS**  trans78.7156.9165.2-1590000116.7
309A27.5Very low30.7Very low80 Ų80139.3 Ų139.366%0.66174%0.739SS**  174.7143.9-76.900000112.5
310K33.3Very low30.5Very low194 Ų194138.9 Ų138.984%0.84374%0.736SS**  trans69102.5156.6-68.1-178.9178.4-1790122.1
311S27.4Very low30.3Very low105 Ų105140.8 Ų140.873%0.73474%0.739SS**  89.8154109.677.40000124
312M27.6Very low30.6Very low162 Ų162141.2 Ų141.280%0.79874%0.742SS**  trans98.8138.8144.1-99.8-173.9169.600121.9
313I28Very low30.6Very low151 Ų151139.3 Ų139.377%0.77474%0.742SS**  trans72.6142149.5-70.3165.3000116.8
314N25.5Very low30.6Very low129 Ų129140.2 Ų140.269%0.6975%0.746SS**  cis-172.5162.3-19.4178.933.3000109.4
315S29.6Very low30.5Very low93 Ų93144.6 Ų144.665%0.6576%0.758SS**  trans62.2166.4152.747.80000119.8
316Q33.1Very low30.4Very low158 Ų158142.6 Ų142.674%0.73876%0.759SS**  cis172.1165.3-29.1-174.772.83.400105.6
317T32Very low30.4Very low109 Ų109142 Ų14267%0.66976%0.762SS**  trans73.1152.1163.5760000117.6
318H28.7Very low31Very low173 Ų173137.7 Ų137.780%0.80176%0.758SS**  cis-152-170.4-21.4-111.5-42.9000111.6
319L35.3Very low31.3Very low152 Ų152139.4 Ų139.480%0.79676%0.763SS**  trans-105.6-173.5-170.7-70.7164.2000113.3
320I29.8Very low31.5Very low147 Ų147143.3 Ų143.375%0.75477%0.773SS**  trans92.3119.2169.7-53.7158.7000111.8
321L36.3Very low31.5Very low157 Ų157139 Ų13982%0.82277%0.774SS**  cis92.7161.535.8-68176.3000114.8
322D31.3Very low31.7Very low141 Ų141143.4 Ų143.475%0.75478%0.78SS**  trans78138.4-175.7-52.9-19.8000114.6
323T31.6Very low31.8Very low129 Ų129141.1 Ų141.179%0.79177%0.774SS**  cis-154.9164.12.6-2.40000111.8
324D31.7Very low32Very low152 Ų152141.5 Ų141.581%0.81377%0.773SS**  trans-71.5-176.2167.9-40.8-88.6000111.8
325E30.8Very low32.2Very low173 Ų173143.5 Ų143.581%0.80878%0.783SS**  cis-156161.89.9-142.8-173.5-166.600105.6
326V33.9Very low32.4Very low119 Ų119145.5 Ų145.572%0.72179%0.786SS**  cis-122.1-124.58.1-154.10000109.5
327D32.1Very low32.2Very low153 Ų153145.5 Ų145.582%0.81879%0.791SS**  cis-148.4169.30-154.4-10.1000110.1
328A39.8Very low32.1Very low85 Ų85145 Ų14570%0.70280%0.798SS**  trans-116.8151.4-159.400000116.6
329D31.7Very low32.4Very low165 Ų165143 Ų14388%0.88280%0.798SS**  trans-160.6167.4144.7-123.4-23.2000113.5
330D32.3Very low32.3Very low163 Ų163144.4 Ų144.487%0.87280%0.801SS**  trans-64140.7-167.3-95.1-38.7000117.7
331A33.8Very low32.6Very low104 Ų104145 Ų14586%0.8681%0.805SS**  trans-153.5161.6151.900000112.6
332K30.7Very low32.7Very low197 Ų197144.8 Ų144.886%0.85781%0.805SS**  trans-144.7149-166.3-124.5-170.2-178176.30113.4
333V29.9Very low32.9Very low113 Ų113145.4 Ų145.469%0.68581%0.808SS**  trans80149.4148.4169.20000119.1
334E31.2Very low33.1Very low160 Ų160147.5 Ų147.575%0.74881%0.813SS**  trans75.379.6164.7-86.6156.2-136.700119.9
335D30Very low33.2Very low170 Ų170148.7 Ų148.791%0.90982%0.818SS**  trans-71.4130134-93-41000109.3
336L34.2Very low33.2Very low135 Ų135146.5 Ų146.571%0.70782%0.821SS**  trans-146.1105.1163.5-94.5178.6000111.6A338L336-A338 PolarHBondContact O-N 2.96Å
337D29.5Very low33.1Very low159 Ų159152.5 Ų152.585%0.8583%0.831SS**  trans25.988.9146.3-58.2-11.3000118
338A30.6Very low33Very low97 Ų97150.9 Ų150.980%0.80283%0.831SS**  trans-93.6143.6155.300000110.3L336L336-A338 PolarHBondContact O-N 2.96Å
339T34.5Very low32.5Very low132 Ų132155.6 Ų155.681%0.8184%0.838SS**  trans-83.2115.8-171.447.30000113.6D341T339-D341 PolarHBondContact O-N 3.28Å
340E33.3Very low32.5Very low182 Ų182155.5 Ų155.585%0.8584%0.836SS**  trans-79.584.6170.4-67.3-170.6138.400112.4
341D36.6Very low32.4Very low158 Ų158155.2 Ų155.285%0.84583%0.833SS**  trans-112.32.6167.7-97.1-42.1000113.1T339T339-D341 PolarHBondContact O-N 3.28Å
342D37.1Very low32Very low153 Ų153155.8 Ų155.882%0.81883%0.831SS**SBendtrans-132.221-157.5-132.1-8.4000116.2
343L36.6Very low31.9Very low155 Ų155154 Ų15481%0.81283%0.831SS**  trans-135.740.6-173.9-79.4-178.7000117.2
344L34.8Very low31.7Very low173 Ų173155.7 Ų155.791%0.90684%0.836SS**  trans-130.613.8169.3-80.4-179.6000116.8C346L344-C346 PolarHBondContact O-N 3.06Å
345L34Very low31.7Very low177 Ų177152.1 Ų152.193%0.92783%0.828SS**  trans-78.256.6173.9-169.365.4000112.6
346C30.3Very low31.7Very low127 Ų127152.2 Ų152.286%0.85882%0.823SS**  trans-154.144.2-173.2-122.80000117.3L344L344-C346 PolarHBondContact O-N 3.06Å
347R31.4Very low31.4Very low245 Ų245152.9 Ų152.993%0.92583%0.827SS**SBendtrans-152.731.9167.5-139.8-177.6174.3144.43.5119.7
348S29.9Very low31.3Very low118 Ų118151.5 Ų151.583%0.82583%0.825SS**SBendtrans-134.236.2-176.4-53.50000115.4
349Q30.3Very low31.2Very low184 Ų184157.4 Ų157.486%0.8683%0.828SS**  trans-149.362.5-173-157.775.849.300115.4
350I30.7Very low31.3Very low164 Ų164157.3 Ų157.384%0.84183%0.829SS**  trans-142.9145157.9-41.4178000109.3
351I30.1Very low31Very low156 Ų156154.2 Ų154.280%0.883%0.828SS**  trans75.489.9175.2-41.9-176.7000115.4
352S26.5Very low30.6Very low117 Ų117151.6 Ų151.682%0.81883%0.828SS**  trans-153103.4144.9-750000107.6
353D27.6Very low30.4Very low159 Ų159153.4 Ų153.485%0.8583%0.828SS**  trans-145.5146.9171.1-85.6-49.7000108.4
354D26.6Very low30Very low149 Ų149152.7 Ų152.780%0.79783%0.826SS**  trans26.1124.2178.2-75.7-36.3000121.2
355S31Very low30Very low84 Ų84152 Ų15259%0.58782%0.821SS**  cis114.1146.615.884.60000114.5
356Q30.1Very low30.2Very low172 Ų172148 Ų14880%0.80481%0.806SS**  trans98.5148.8162.8-60.4179.869.700121.3
357L29Very low29.9Very low149 Ų149151.4 Ų151.478%0.7881%0.806SS**  trans87.274.7165-50.4-170.6000121.1
358T27.1Very low29.6Very low131 Ų131144.7 Ų144.780%0.80480%0.797SS**  65.2118.5115.4-48.50000122.3
359Y27.1Very low29.5Very low220 Ų220143.5 Ų143.586%0.86379%0.789SS**  trans-76.6162.1165.6-82.5-76.3000112.9
360P37.8Very low29.4Very low130 Ų130142.1 Ų142.184%0.84478%0.782SS**  -153.8-170.667.141.7-18.7000118
361S25.7Very low29.5Very low118 Ų118141.3 Ų141.383%0.82578%0.78SS**  trans-113.4157.1-17468.60000114.8
362A28.8Very low29.4Very low102 Ų102137.2 Ų137.284%0.84378%0.776SS**  trans-155.8178.215800000112.5
363K32.3Very low29.4Very low191 Ų191138.8 Ų138.883%0.8377%0.774SS**  trans-129.1163.1-179.2-62.2179.9178.2176.30112.6
364N29.7Very low29.3Very low141 Ų141138.4 Ų138.475%0.75477%0.77SS**  trans86.1110.1153.7-56.9-25.3000121.2
365I34Very low29.4Very low157 Ų157137.6 Ų137.681%0.80577%0.766SS**  trans1148.1131.114.4176.1000118.1
366P37.5Very low29.1Very low94 Ų94141.3 Ų141.361%0.6177%0.774SS**  -158.3178.354.544.5-23.5000121
367F24.1Very low28.8Very low198 Ų198138.6 Ų138.687%0.86877%0.769SS**  trans66.3162.8154.1-63.4-45000120.9
368S25.5Very low29.3Very low105 Ų105136.8 Ų136.873%0.73477%0.766SS**  cis-173.4-179.6-30.5-166.40000110.4
369S29.1Very low29.1Very low92 Ų92137.8 Ų137.864%0.64376%0.764SS**  trans74.1156.1168.2118.30000117.3
370E27.7Very low29.3Very low155 Ų155135 Ų13572%0.72476%0.756SS**  cis-153.8130.4-4.8-119154.6132.300109.2
371N32.2Very low28.7Very low148 Ų148139.5 Ų139.579%0.79176%0.756SS**  73138.594.6-68.9-16.6000118.9
372G27.3Very low28.7Very low69 Ų69138.4 Ų138.471%0.71175%0.748SS**  trans12873.8170.200000114.4
373I28.2Very low28.7Very low151 Ų151140.1 Ų140.177%0.77475%0.748SS**  70.2108.969.3-56.8167.5000114.5
374L25.1Very low28.4Very low150 Ų150134.7 Ų134.779%0.78574%0.739SS**  -162.8135.5126.1-149.664.5000113.5
375L27.2Very low28.4Very low133 Ų133134.7 Ų134.770%0.69674%0.739SS**  trans9.6150.3151.8-51.7172.6000121
376E24.8Very low28.3Very low161 Ų161134.2 Ų134.275%0.75274%0.738SS**  cis-154.8-170.96-134.4164.9171.700116.2
377T24.3Very low27.9Very low116 Ų116139.6 Ų139.671%0.71275%0.747SS**  trans-90.6-164.9-161.163.50000113.3
378P39.1Very low28.3Very low110 Ų110137.4 Ų137.471%0.71474%0.744SS**  cis-148.2173.66.443.2-21.3000121.6
379M24.3Very low28.5Very low153 Ų153138.7 Ų138.775%0.75474%0.743SS**  trans7290.6142.9-149.670.389.600125.6
380K31.2Very low28.4Very low160 Ų160141.8 Ų141.870%0.69675%0.752SS**  35.3137119.4-57.6179-168.7161.30124.2
381R24.7Very low28.5Very low226 Ų226142.6 Ų142.685%0.85376%0.756SS**  trans73.7157.1140.6-75.3172.6179.8172.1-3.2119.8
382S25.4Very low28.5Very low94 Ų94141.3 Ų141.366%0.65775%0.753SS**  cis-179.4158-27.258.60000113.9
383V28.3Very low28.6Very low138 Ų138144.9 Ų144.984%0.83676%0.755SS**  trans83.7142.1147160.80000122
384A27.3Very low28.7Very low77 Ų77143.8 Ų143.864%0.63675%0.75SS**  trans81.5109.7154.500000124.2
385N28.6Very low29.1Very low141 Ų141146 Ų14675%0.75476%0.756SS**  24.2129.4124.4-45.9-5.4000121.6
386N32Very low29Very low148 Ų148144 Ų14479%0.79175%0.749SS**  174.7170.8100.1-94-45000115.5
387Y29.3Very low28.9Very low206 Ų206142.2 Ų142.281%0.80875%0.749SS**  trans-63.9152.5177.6-57.3-105.5000115.3
388L31.8Very low29.6Very low153 Ų153144.9 Ų144.980%0.80175%0.751SS**  -166.8-178.8100.3-137.284.8000112.4
389N29.9Very low29.1Very low132 Ų132148.5 Ų148.571%0.70676%0.758SS**  trans-94.7173.6-179.1-31.8-67.4000111.7
390D27.6Very low29.1Very low156 Ų156147.3 Ų147.383%0.83476%0.755SS**  -169168.5105.1-96.6-10.8000113
391E30.4Very low29Very low173 Ų173145.6 Ų145.681%0.80875%0.753SS**  trans-129.3170.7-166.1-163.2-175.8-162.800110.6
392V31.4Very low29.4Very low121 Ų121141.6 Ų141.673%0.73374%0.744SS**  trans63.8140.7171.6-113.80000115.1
393L30Very low29.4Very low144 Ų144146.5 Ų146.575%0.75475%0.748SS**  -167.2164.165.5-148.977000112.7
394L30.9Very low29.4Very low128 Ų128147.2 Ų147.267%0.6775%0.746SS**  trans63.782158.7-73.8180000120.6T396L394-T396 HydrophobicContact CD2-CG2 4.17Å; L394-T396 PolarHBondContact O-N 3.49Å
395H32.6Very low29.6Very low196 Ų196147.7 Ų147.791%0.90775%0.745SS**  trans-57.2108.9133.7-176.251.5000110.7
396T24.2Very low29.7Very low91 Ų91147.4 Ų147.456%0.55874%0.739SS**  trans-148.2114.6170.5120000112.7L394L394-T396 HydrophobicContact CD2-CG2 4.17Å; L394-T396 PolarHBondContact O-N 3.49Å
397V24.3Very low29.6Very low124 Ų124148 Ų14875%0.75274%0.735SS**  64.8151.3121.1172.50000119.5
398K37.3Very low29.6Very low172 Ų172144.9 Ų144.975%0.74874%0.737SS**  trans64.393.1-173.2-77.9175.1174.9174.10112.5
399E29.7Very low29.4Very low186 Ų186141 Ų14187%0.86973%0.726SS**  cis53.562.621.3-159.6-176.6-124.700112.6
400N25.1Very low29.5Very low128 Ų128139.6 Ų139.668%0.68473%0.727SS**  trans-165.7132.6153.2-94.8-68.6000104.2
401L28.9Very low29.5Very low124 Ų124140.1 Ų140.165%0.64973%0.728SS**  cis-150.2132.336.6-154.772.9000110.7
402Q32.8Very low29.4Very low142 Ų142136.3 Ų136.366%0.66472%0.721SS**  trans61.5152.5144.9-72.6170.71600119.9
403R25.3Very low29.5Very low197 Ų197138 Ų13874%0.74372%0.724SS**  cis-169.7146.4-20.4-123.7177.3-178172.3-2.1107
404L28.9Very low29.5Very low152 Ų152137.3 Ų137.380%0.79672%0.721SS**  trans64.1133.9156.9-94.674000115.7
405S30.2Very low29.6Very low87 Ų87138.3 Ų138.361%0.60873%0.727SS**  89.3137.395.5178.30000113.3
406E31.5Very low29.5Very low135 Ų135136 Ų13663%0.63172%0.72SS**  cis-149.7135.4-15.8-107.4173.3112.700106.5
407K28.6Very low29.8Very low162 Ų162138.8 Ų138.870%0.70473%0.732SS**  68.913375.9179.1-157.9-180-164.70112.4
408V31.2Very low30.2Very low140 Ų140141.9 Ų141.985%0.84874%0.735SS**  trans68.4141.5167.7152.60000114.7
409A27.6Very low29.8Very low71 Ų71140.1 Ų140.159%0.58774%0.738SS**  cis-152.2146.5-13.800000106.1
410S31.6Very low29.7Very low102 Ų102136.6 Ų136.671%0.71373%0.734SS**  55.9147.564.686.50000114.9
411I26.5Very low29.8Very low168 Ų168137.5 Ų137.586%0.86274%0.739SS**  trans75.3141.1179.5-54.1167.6000113.2
412S29.2Very low29.8Very low93 Ų93138 Ų13865%0.6574%0.742SS**  cis-169.7-155.3-22.1-173.40000108.4
413I32.6Very low29.5Very low156 Ų156137.7 Ų137.780%0.874%0.742SS**  trans77.4100.6172.9-48167000112.6
414N30.2Very low29.8Very low130 Ų130138.3 Ų138.370%0.69575%0.746SS**  75135.753.8-72.4-20.2000116.4
415N33.1Very low29.8Very low148 Ų148138.3 Ų138.379%0.79174%0.742SS**  trans71.3149.8165.3-66.6-32000116.8
416L30.9Very low29.9Very low148 Ų148139.4 Ų139.478%0.77575%0.745SS**  cis-150.4160.14.5-130.5166.3000111.3
417N30.9Very low29.8Very low150 Ų150142.1 Ų142.180%0.80276%0.758SS**  trans-79.2140.7169.4-77.9-38000112.4
418K31.7Very low30.3Very low189 Ų189143.5 Ų143.582%0.82276%0.764SS**  trans-167129.1149-102151-176.1-178.90107.7
419V28.4Very low30.8Very low134 Ų134142.5 Ų142.581%0.81276%0.76SS**  60.5123.489.5177.40000110.7
420S28.5Very low31Very low112 Ų112145.9 Ų145.978%0.78377%0.767SS**  cis-150.5-179.937.1-151.60000115.9
421N27Very low31Very low148 Ų148148.4 Ų148.479%0.79177%0.772SS**  trans-82.6145.3169.3-64.7-62.6000112.5
422L28.4Very low31.1Very low134 Ų134144.6 Ų144.670%0.70277%0.766SS**  trans-161.8112137.6-133.565.7000107.1Y424L422-Y424 HydrophobicContact CD2-CE2 4.16Å
423M27Very low31.1Very low135 Ų135144.9 Ų144.967%0.66577%0.774SS**  48.1100.870.2-89-59.4-57.500114.4Q425M423-Q425 HydrophobicContact CE-CB 4.48Å; M423-Q425 HydrophobicContact CE-CG 4.33Å
424Y32.3Very low30.9Very low210 Ų210142.4 Ų142.482%0.82477%0.771SS**  trans-136.1122.3148-80.1-74.1000108.8L422L422-Y424 HydrophobicContact CD2-CE2 4.16Å
425Q28.7Very low30.9Very low153 Ų153142.6 Ų142.672%0.71578%0.777SS**  trans-101.3145.2160.3-95.4-143.66300108.9M423M423-Q425 HydrophobicContact CE-CB 4.48Å; M423-Q425 HydrophobicContact CE-CG 4.33Å
426T31.7Very low31Very low110 Ų110140.9 Ų140.968%0.67578%0.776SS**  trans36.6114.7133.6-450000118.7
427E29.3Very low31Very low191 Ų191138.2 Ų138.289%0.89378%0.775SS**  -158.5162.5125.1-115.4162.9-146.500112.9
428K38.7Very low30.9Very low192 Ų192136.9 Ų136.984%0.83577%0.773SS**  trans-131.3143.6176.7-67.5-179.1179.6179.40109.2
429P41.8Very low30.7Very low119 Ų119132.8 Ų132.877%0.77377%0.767SS**  -128.3138.9125.50.621.8000110.8
430I32Very low30.6Very low142 Ų142134 Ų13473%0.72877%0.768SS**  108.1145.956.4-82.7168.9000110.5
431N31.3Very low30.7Very low155 Ų155132.9 Ų132.983%0.82976%0.76SS**  trans72.2157.1177.3-60.8-23000118.7
432A30Very low30.8Very low87 Ų87132 Ų13272%0.71976%0.755SS**  cis-172.3149.5-35.100000110.3
433A27.9Very low30.8Very low100 Ų100132.5 Ų132.583%0.82676%0.759SS**  trans59.7145.4175.400000117.2
434S28.9Very low30.8Very low104 Ų104136.3 Ų136.373%0.72777%0.766SS**  cis106.1147.311.2-163.10000115.1
435T30.8Very low30.5Very low134 Ų134131 Ų13182%0.82276%0.759SS**  trans70.9148.2-175.573.20000115.4
436S35.2Very low30.5Very low111 Ų111130.9 Ų130.978%0.77676%0.759SS**  cis-157.4148.6-2.648.60000113.5
437A30Very low30.3Very low92 Ų92131.9 Ų131.976%0.7677%0.765SS**  trans60.8176.1145.300000120.8
438T28.5Very low30.3Very low123 Ų123129.9 Ų129.976%0.75576%0.757SS**  cis-171.6167-49.4-68.20000106.4
439C27.7Very low29.9Very low103 Ų103131.2 Ų131.270%0.69676%0.757SS**  trans77.3136.4174.8-65.30000115.9
440L27.8Very low29.1Very low160 Ų160134.9 Ų134.984%0.83876%0.764SS**  cis75.7134.648-64.1166.9000112.5
441S28.9Very low29.1Very low88 Ų88134.7 Ų134.762%0.61576%0.763SS**  cis-166.6174.9-3.556.60000113.2
442N29.9Very low28.9Very low129 Ų129137.1 Ų137.169%0.6977%0.766SS**  trans61.3114144.8-67.4-4.5000124.2
443N29Very low29Very low145 Ų145141.5 Ų141.578%0.77577%0.772SS**  77.4127.9116.1-60.9-16000125
444R25.9Very low29.1Very low214 Ų214146.2 Ų146.281%0.80878%0.777SS**  88.794.3128-164.5173.6-171.71623.8122.4
445S27.3Very low29.3Very low99 Ų99148.9 Ų148.969%0.69278%0.778SS**  64.4150.3116.3-48.20000125.6
446E28.8Very low29.3Very low151 Ų151149.2 Ų149.271%0.70677%0.768SS**  trans78.3111.5144.5-76.5158.1128.400122.3
447T27.7Very low28.8Very low130 Ų130151.1 Ų151.180%0.79876%0.764SS**  -176.6124.8116.622.60000110.3
448M28.3Very low28.9Very low150 Ų150152 Ų15274%0.73976%0.76SS**  67.7131.496.1-66.2-74154.500114.7
449R29.7Very low29.2Very low219 Ų219152.1 Ų152.183%0.82676%0.763SS**  cis-160162.80.5-88.6163.5-164.6-177.14.5109.3
450E26.3Very low29.3Very low196 Ų196157.8 Ų157.892%0.91677%0.772SS**  -174.1173.4118.5-165.1139.8-135.400110.3
451I30.8Very low29.8Very low138 Ų138155.8 Ų155.871%0.70877%0.768SS**  trans-131.3142.5-157.7-64.8162.2000112.1
452K27.8Very low29.6Very low207 Ų207160.5 Ų160.590%0.978%0.783SS**  trans-168.6154139.2-106.7160.6-172.9178.20112.5
453E31.6Very low29.5Very low179 Ų179162 Ų16284%0.83679%0.789SS**  trans-116.6149-172.7-59.4166.1120.300111
454E30.6Very low29.4Very low198 Ų198159.7 Ų159.793%0.92578%0.784SS**  176.3173.4129.6-99.2-171.1137.300110.2
455E32Very low29.6Very low160 Ų160154.1 Ų154.175%0.74878%0.784SS**  trans-111.3-157.7-175.5-47.6-178.380.700112.2
456K30.9Very low29.8Very low142 Ų142158.5 Ų158.562%0.61779%0.787SS**  cis-158.4166.92.4-132.7178.7179.466.10106.3
457E25.3Very low30Very low150 Ų150156.7 Ų156.770%0.70179%0.791SS**  cis-146.3-126.7-1.8-162.6174.794.200108.3
458T32.3Very low30.1Very low110 Ų110155.5 Ų155.568%0.67578%0.783SS**  trans-138.1159.9164.763.50000109.8
459P35.5Very low30.3Very low127 Ų127153.5 Ų153.583%0.82578%0.783SS**  -146153.5109.735.6-20.2000115.5
460Y28.3Very low30.2Very low221 Ų221150 Ų15087%0.86778%0.781SS**  trans-76.8154.4165.4-88.6-85.9000111
461P38.5Very low30.5Very low118 Ų118146.5 Ų146.577%0.76677%0.773SS**  -153.2169.193.441.2-23.6000118.2
462M24.5Very low30.8Very low188 Ų188151.4 Ų151.493%0.92678%0.782SS**  trans88.9142.7145.8-137.3166.8-16400120.5
463I28.6Very low31.3Very low160 Ų160149.6 Ų149.682%0.82178%0.781SS**  trans-103.6140.8-171.7-63.1161.7000109.6
464S25.9Very low31.6Very low96 Ų96148.4 Ų148.467%0.67178%0.78SS**  trans-141.3126156.2-169.50000110.2
465A31.1Very low32.5Very low97 Ų97148 Ų14880%0.80278%0.775SS**  trans-111.9115.7-176.600000110.4
466Y32.3Very low32.7Very low191 Ų191144.1 Ų144.175%0.74978%0.778SS**  trans-139.5126.2169.439.6-92.9000111.1
467S32.9Very low33.6Very low113 Ų113145.3 Ų145.379%0.7979%0.79SS**  trans-83.7131.4-176.373.70000111.8
468V29.3Very low34.1Very low105 Ų105145.9 Ų145.964%0.63680%0.797SS**  trans-119.686.2168.8-174.60000109.8N470V468-N470 PolarHBondContact O-N 2.94Å
469C31.5Very low34.8Very low108 Ų108149.9 Ų149.973%0.7381%0.805SS**  trans-74.789.6170.9-780000110.5T471C469-T471 VanDerWaalsContact C-N 3.28Å; C469-T471 PolarHBondContact O-N 3.4Å
470N27.7Very low35.5Very low147 Ų147153 Ų15379%0.78681%0.805SS**  trans-69.974.7175.7-88.6-40.9000112.8V468 R472V468-N470 PolarHBondContact O-N 2.94Å; N470-R472 PolarHBondContact O-N 2.86Å
471T33.4Very low35.9Very low122 Ų122152 Ų15275%0.74881%0.805SS**  trans-85.4101.817249.20000111.2C469 L473C469-T471 VanDerWaalsContact C-N 3.28Å; C469-T471 PolarHBondContact O-N 3.4Å; T471-L473 PolarHBondContact O-N 2.89Å; T471-L473 VanDerWaalsContact O-N 3.07Å
472R37.8Very low35.7Very low241 Ų241152 Ų15291%0.90981%0.808SS**  trans-65.4106178.2-69.6178.6173.9173.2-2.1111.3N470 L474N470-R472 PolarHBondContact O-N 2.86Å; R472-L474 PolarHBondContact O-N 3.12Å
473L36.3Very low36.6Very low168 Ų168151.9 Ų151.988%0.8880%0.803SS**  trans-68116.7174.8-77.1166.4000111.9T471T471-L473 PolarHBondContact O-N 2.89Å; T471-L473 VanDerWaalsContact O-N 3.07Å
474L38.4Very low36.8Very low154 Ų154155.6 Ų155.681%0.80681%0.808SS**  trans-106.188172.2-88.9169.5000112.6R472R472-L474 PolarHBondContact O-N 3.12Å
475K49Very low37.1Very low190 Ų190156.3 Ų156.383%0.82681%0.813SS**  trans4483.1139.5-64.5171.1179.6171.70117.5
476G37.5Very low37.2Very low79 Ų79156.8 Ų156.881%0.81481%0.81SS**  trans-93.1124.2156.800000111.3L478G476-L478 PolarHBondContact O-N 3.04Å
477I50.4Low37.5Very low167 Ų167156.1 Ų156.186%0.85681%0.814SS**  trans-75118.6-168.7-58.9162.3000112.3
478L35.8Very low37.3Very low162 Ų162159.2 Ų159.285%0.84882%0.816SS**  trans-141.1103153.6-174.558.3000111.5G476G476-L478 PolarHBondContact O-N 3.04Å
479K47.2Very low37.9Very low194 Ų194161.8 Ų161.884%0.84383%0.826SS**  trans-100.287.1-175.1-173.7179178.8179.50111.2
480K48.8Very low37.9Very low192 Ų192160.9 Ų160.984%0.83582%0.819SS**  trans-127.6130160.3-76.6-164.8175.1-1740110.1S482K480-S482 PolarHBondContact O-N 3.33Å
481K37.8Very low38.8Very low200 Ų200161 Ų16187%0.8782%0.819SS**  trans-80.2105.2175.4-65.7-175.6177.7-174.40108.6
482S34.1Very low39.2Very low118 Ų118163.7 Ų163.783%0.82582%0.817SS**  trans-76121.3158-166.60000107.8K480K480-S482 PolarHBondContact O-N 3.33Å
483K42.8Very low39.1Very low186 Ų186158.9 Ų158.981%0.80981%0.809SS**  trans-101109.8162.2-77.5-172.4175.7-1710106.5
484Y33.1Very low39.6Very low237 Ų237155.3 Ų155.393%0.92980%0.798SS**  trans-173.7143.8143-94.2-62.6000107.7
485S31.3Very low39.9Very low111 Ų111150.1 Ų150.178%0.77678%0.782SS**  trans-111126.4-178.847.20000110.6
486S33.1Very low39.6Very low107 Ų107149.4 Ų149.475%0.74877%0.774SS**  trans-155.9122.1150.8-147.10000103
487E38.4Very low40.2Very low177 Ų177151 Ų15183%0.82776%0.763SS**  52.775.556.2-57.9-179.3179.100110.2
488E29.9Very low40.4Very low179 Ų179148.3 Ų148.384%0.83675%0.749SS**  -159.6143.5108.2-168.9159-145.200109.8
489L41Very low41.2Very low159 Ų159146.5 Ų146.583%0.83274%0.74SS**  trans-105.695.9-177.5-169.886.7000110.5
490C33.2Very low42.2Very low88 Ų88140.2 Ų140.260%0.59572%0.721SS**  trans-102.2115.4173.2-66.80000112.1Y492C490-Y492 HydrophobicContact CB-CD2 4.37Å; C490-Y492 HydrophobicContact CB-CE2 4.32Å
491L46.4Very low43.1Very low150 Ų150137.9 Ų137.979%0.78571%0.71SS**  trans-56.4142.3160.8-80.261.4000109.3
492Y41Very low44.6Very low179 Ų179134.3 Ų134.370%0.70270%0.697SS**  trans-139.5126.6168.9-102.5-70000112.2C490C490-Y492 HydrophobicContact CB-CD2 4.37Å; C490-Y492 HydrophobicContact CB-CE2 4.32Å
493D35.5Very low46.5Very low140 Ų140132.1 Ų132.175%0.74968%0.678SS**  trans-70.3155.8-166.6-89.4-61.9000116.8G495 R496D493-G495 PolarHBondContact O-N 3.01Å; D493-R496 PolarHBondContact O-N 3.3Å
494S46.9Very low48.1Very low93 Ų93125.8 Ų125.865%0.6566%0.661SS**THydrogen-bonded Turntrans-54.1-22174.7-157.60000113.6R496 L497S494-R496 VanDerWaalsContact C-N 3.29Å; S494-R496 PolarHBondContact O-N 3.4Å; S494-L497 PolarHBondContact O-N 2.96Å
495G43.9Very low50Low45 Ų45117.9 Ų117.946%0.46463%0.634SS.*Hα-helixtrans-57.6-30.8178.200000115.1D493 L497 I498 L499D493-G495 PolarHBondContact O-N 3.01Å; G495-L497 PolarHBondContact O-N 3.24Å; G495-I498 PolarHBondContact O-N 3.45Å; G495-I498 VanDerWaalsContact O-N 3.1Å; G495-L499 PolarHBondContact O-N 2.7Å
496R43.8Very low52Low175 Ų175115.2 Ų115.266%0.6662%0.618SS**Hα-helixtrans-61.6-27.1178.1-87.3-173.1178.4-973.8113.2D493 S494 S500D493-R496 PolarHBondContact O-N 3.3Å; S494-R496 VanDerWaalsContact C-N 3.29Å; S494-R496 PolarHBondContact O-N 3.4Å; R496-S500 PolarHBondContact O-N 2.95Å
497L50.2Low54.3Low111 Ų111114.6 Ų114.658%0.58161%0.606SS**Hα-helixtrans-75.4-25.6177.9-66.5176.7000113.2S494 G495 S500 K501S494-L497 PolarHBondContact O-N 2.96Å; G495-L497 PolarHBondContact O-N 3.24Å; L497-S500 WeakPolarHBondContact CA-OG 3.46Å; L497-S500 PolarHBondContact O-OG 3.2Å; L497-S500 VanDerWaalsContact O-OG 3.08Å; L497-K501 WeakPolarHBondContact O-CG 3.43Å; L497-K501 PolarHBondContact O-N 3.45Å
498I54.6Low56.7Low111 Ų111112.2 Ų112.257%0.56959%0.589SS**Hα-helixtrans-73.4-47.5174.9-57.9176.3000108.8G495 S500 K501 Q502G495-I498 PolarHBondContact O-N 3.45Å; G495-I498 VanDerWaalsContact O-N 3.1Å; I498-S500 VanDerWaalsContact C-N 3.3Å; I498-S500 PolarHBondContact O-N 3.48Å; I498-K501 PolarHBondContact O-N 2.96Å; I498-K501 VanDerWaalsContact O-N 3.16Å; I498-Q502 PolarHBondContact O-N 3.42Å
499L51.5Low59Low125 Ų125108.2 Ų108.265%0.65457%0.574SS**Hα-helixtrans-58.5-42.1175.6-155.984.5000111.7G495 K501 Q502 V503G495-L499 PolarHBondContact O-N 2.7Å; L499-K501 VanDerWaalsContact C-N 3.35Å; L499-K501 PolarHBondContact O-N 2.93Å; L499-Q502 PolarHBondContact O-N 2.78Å; L499-V503 WeakPolarHBondContact O-CB 3.49Å; L499-V503 VanDerWaalsContact O-CG2 3.3Å; L499-V503 WeakPolarHBondContact O-CG2 3.26Å; L499-V503 PolarHBondContact O-N 3.14Å
500S68Low60.8Low62 Ų62103.9 Ų103.943%0.43456%0.557SS.*Hα-helixtrans-66.2-33.4178.375.70000113.3R496 L497 I498 A504R496-S500 PolarHBondContact O-N 2.95Å; L497-S500 WeakPolarHBondContact CA-OG 3.46Å; L497-S500 PolarHBondContact O-OG 3.2Å; L497-S500 VanDerWaalsContact O-OG 3.08Å; I498-S500 VanDerWaalsContact C-N 3.3Å; I498-S500 PolarHBondContact O-N 3.48Å; S500-A504 WeakPolarHBondContact O-CB 3.31Å; S500-A504 PolarHBondContact O-N 3.48Å
501K68.8Low63.2Low142 Ų142104 Ų10462%0.61755%0.551SS**Hα-helixtrans-67.8-46.3171.3-74.7171.9-177.9176.40111.6L497 I498 L499 V503 A504 L505L497-K501 WeakPolarHBondContact O-CG 3.43Å; L497-K501 PolarHBondContact O-N 3.45Å; I498-K501 PolarHBondContact O-N 2.96Å; I498-K501 VanDerWaalsContact O-N 3.16Å; L499-K501 VanDerWaalsContact C-N 3.35Å; L499-K501 PolarHBondContact O-N 2.93Å; K501-V503 VanDerWaalsContact C-N 3.32Å; K501-V503 PolarHBondContact O-N 3.25Å; K501-A504 PolarHBondContact O-N 2.93Å; K501-L505 WeakPolarHBondContact O-CG 3.47Å; K501-L505 PolarHBondContact O-N 2.9Å
502Q69.4Low64.7Low125 Ų125102.2 Ų102.258%0.58454%0.538SS*.Hα-helixtrans-58.8-45.5177.9-143.976.52.900111I498 L499 L505 A506I498-Q502 PolarHBondContact O-N 3.42Å; L499-Q502 PolarHBondContact O-N 2.78Å; Q502-L505 PolarHBondContact O-N 2.8Å; Q502-A506 WeakPolarHBondContact O-CB 3.45Å; Q502-A506 PolarHBondContact O-N 2.97Å
503V73.2Confident66.3Low73 Ų7398.3 Ų98.344%0.44253%0.529SS..Hα-helixtrans-67.7-40.9177.1170.50000111.7L499 K501 L505 A506 I507L499-V503 WeakPolarHBondContact O-CB 3.49Å; L499-V503 VanDerWaalsContact O-CG2 3.3Å; L499-V503 WeakPolarHBondContact O-CG2 3.26Å; L499-V503 PolarHBondContact O-N 3.14Å; K501-V503 VanDerWaalsContact C-N 3.32Å; K501-V503 PolarHBondContact O-N 3.25Å; V503-L505 VanDerWaalsContact C-N 3.3Å; V503-L505 PolarHBondContact O-N 2.83Å; V503-A506 PolarHBondContact O-N 2.93Å; V503-I507 HydrophobicContact CG1-CD1 3.63Å; V503-I507 HydrophobicContact CG1-CG1 4.27Å; V503-I507 WeakPolarHBondContact O-CB 3.45Å; V503-I507 VanDerWaalsContact O-CG1 3.22Å; V503-I507 WeakPolarHBondContact O-CG1 3.48Å; V503-I507 PolarHBondContact O-N 3.43Å
504A76.2Confident68Low53 Ų5395.6 Ų95.644%0.43852%0.518SS..Hα-helixtrans-68.1-27.9176.500000113.5S500 K501 R508S500-A504 WeakPolarHBondContact O-CB 3.31Å; S500-A504 PolarHBondContact O-N 3.48Å; K501-A504 PolarHBondContact O-N 2.93Å; A504-R508 WeakPolarHBondContact O-CB 3.46Å; A504-R508 PolarHBondContact O-N 3.45Å
505L74.7Confident69.1Low71 Ų7198.2 Ų98.237%0.37251%0.513SS..Hα-helixtrans-71.7-54168.8-70169.3000110.3K501 Q502 V503 I507 R508 D509K501-L505 WeakPolarHBondContact O-CG 3.47Å; K501-L505 PolarHBondContact O-N 2.9Å; Q502-L505 PolarHBondContact O-N 2.8Å; V503-L505 VanDerWaalsContact C-N 3.3Å; V503-L505 PolarHBondContact O-N 2.83Å; L505-I507 VanDerWaalsContact C-N 3.26Å; L505-I507 PolarHBondContact O-N 3.37Å; L505-R508 CarbonylContact O-C 3.58Å; L505-R508 WeakPolarHBondContact O-CA 3.4Å; L505-R508 WeakPolarHBondContact O-CB 3.49Å; L505-R508 PolarHBondContact O-N 2.93Å; L505-D509 PolarHBondContact O-N 3.2Å
506A72.3Confident70.3Confident54 Ų5497.8 Ų97.845%0.44651%0.505SS..Hα-helixtrans-56.9-36.8178.800000113.4Q502 V503 S510Q502-A506 WeakPolarHBondContact O-CB 3.45Å; Q502-A506 PolarHBondContact O-N 2.97Å; V503-A506 PolarHBondContact O-N 2.93Å; A506-S510 WeakPolarHBondContact O-CB 3.34Å; A506-S510 PolarHBondContact O-N 2.69Å; A506-S510 PolarHBondContact O-OG 3.24Å
507I82.2Confident71.4Confident94 Ų9495.7 Ų95.748%0.48250%0.501SS..Hα-helixtrans-66.5-44172.7-72169000111.2V503 L505 S510 I511V503-I507 HydrophobicContact CG1-CD1 3.63Å; V503-I507 HydrophobicContact CG1-CG1 4.27Å; V503-I507 WeakPolarHBondContact O-CB 3.45Å; V503-I507 VanDerWaalsContact O-CG1 3.22Å; V503-I507 WeakPolarHBondContact O-CG1 3.48Å; V503-I507 PolarHBondContact O-N 3.43Å; L505-I507 VanDerWaalsContact C-N 3.26Å; L505-I507 PolarHBondContact O-N 3.37Å; I507-S510 PolarHBondContact O-N 2.67Å; I507-I511 HydrophobicContact CG2-CD1 3.74Å; I507-I511 WeakPolarHBondContact O-CB 3.3Å; I507-I511 VanDerWaalsContact O-CG1 3.23Å; I507-I511 WeakPolarHBondContact O-CG1 3.43Å; I507-I511 PolarHBondContact O-N 2.88Å
508R89Confident72Confident128 Ų12894 Ų9448%0.48350%0.495SS..Hα-helixtrans-60.8-49.2175.9-174.4-169.3-52.6145.211.5110.7A504 L505 S510 I511 E512A504-R508 WeakPolarHBondContact O-CB 3.46Å; A504-R508 PolarHBondContact O-N 3.45Å; L505-R508 CarbonylContact O-C 3.58Å; L505-R508 WeakPolarHBondContact O-CA 3.4Å; L505-R508 WeakPolarHBondContact O-CB 3.49Å; L505-R508 PolarHBondContact O-N 2.93Å; R508-S510 VanDerWaalsContact C-N 3.32Å; R508-S510 PolarHBondContact O-N 3.19Å; R508-I511 CarbonylContact O-C 3.59Å; R508-I511 PolarHBondContact O-N 3.47Å; R508-I511 VanDerWaalsContact O-N 3.14Å; R508-E512 HydrophobicContact CG-CG 4.46Å; R508-E512 WeakPolarHBondContact CG-OE1 3.49Å; R508-E512 WeakPolarHBondContact O-CB 3.17Å; R508-E512 WeakPolarHBondContact O-CG 3.45Å; R508-E512 PolarHBondContact O-N 3.34Å
509D77.1Confident72.7Confident94 Ų9494.5 Ų94.550%0.50349%0.493SS..Hα-helixtrans-67.1-36.2-176.2-58-15.3000110.5L505 E512 L513L505-D509 PolarHBondContact O-N 3.2Å; D509-E512 PolarHBondContact O-N 3.34Å; D509-L513 WeakPolarHBondContact O-CB 3.3Å; D509-L513 PolarHBondContact O-N 2.95Å
510S79.1Confident72.8Confident68 Ų6892.8 Ų92.848%0.47649%0.485SS..Hα-helixtrans-65.9-40.4171.7-61.70000112.7A506 I507 R508 T514A506-S510 WeakPolarHBondContact O-CB 3.34Å; A506-S510 PolarHBondContact O-N 2.69Å; A506-S510 PolarHBondContact O-OG 3.24Å; I507-S510 PolarHBondContact O-N 2.67Å; R508-S510 VanDerWaalsContact C-N 3.32Å; R508-S510 PolarHBondContact O-N 3.19Å; S510-T514 WeakPolarHBondContact O-CB 3.22Å; S510-T514 PolarHBondContact O-N 3.46Å; S510-T514 PolarHBondContact O-OG1 3.34Å
511I83.8Confident72.4Confident92 Ų9294.4 Ų94.447%0.47249%0.492SS..Hα-helixtrans-68-40.4174.8-71.6167.3000110.6I507 R508 T514 R515I507-I511 HydrophobicContact CG2-CD1 3.74Å; I507-I511 WeakPolarHBondContact O-CB 3.3Å; I507-I511 VanDerWaalsContact O-CG1 3.23Å; I507-I511 WeakPolarHBondContact O-CG1 3.43Å; I507-I511 PolarHBondContact O-N 2.88Å; R508-I511 CarbonylContact O-C 3.59Å; R508-I511 PolarHBondContact O-N 3.47Å; R508-I511 VanDerWaalsContact O-N 3.14Å; I511-T514 PolarHBondContact O-N 2.91Å; I511-R515 HydrophobicContact CG2-CG 4.45Å; I511-R515 WeakPolarHBondContact O-CB 3.34Å; I511-R515 WeakPolarHBondContact O-CG 3.19Å; I511-R515 PolarHBondContact O-N 2.67Å
512E77.4Confident71.6Confident111 Ų11192.2 Ų92.252%0.51949%0.49SS..Hα-helixtrans-71-37178.1-71.6-170.3-149.800112R508 D509 R515 A516R508-E512 HydrophobicContact CG-CG 4.46Å; R508-E512 WeakPolarHBondContact CG-OE1 3.49Å; R508-E512 WeakPolarHBondContact O-CB 3.17Å; R508-E512 WeakPolarHBondContact O-CG 3.45Å; R508-E512 PolarHBondContact O-N 3.34Å; D509-E512 PolarHBondContact O-N 3.34Å; E512-R515 CarbonylContact O-C 3.58Å; E512-R515 PolarHBondContact O-N 3Å; E512-A516 PolarHBondContact O-N 2.95Å
513L75.1Confident70.8Confident98 Ų9890.9 Ų90.951%0.51349%0.49SS..Hα-helixtrans-64.7-40170.5-177.463.2000111.9D509 R515 A516 K517D509-L513 WeakPolarHBondContact O-CB 3.3Å; D509-L513 PolarHBondContact O-N 2.95Å; L513-R515 VanDerWaalsContact C-N 3.35Å; L513-A516 WeakPolarHBondContact O-CB 3.47Å; L513-A516 PolarHBondContact O-N 3.49Å; L513-K517 WeakPolarHBondContact O-CG 3.43Å; L513-K517 PolarHBondContact O-N 2.9Å
514T69.9Low69.7Low83 Ų8393.1 Ų93.151%0.50950%0.5SS..Hα-helixtrans-64.5-41.8172.8-56.80000110.6S510 I511 A516 K517 T518S510-T514 WeakPolarHBondContact O-CB 3.22Å; S510-T514 PolarHBondContact O-N 3.46Å; S510-T514 PolarHBondContact O-OG1 3.34Å; I511-T514 PolarHBondContact O-N 2.91Å; T514-A516 VanDerWaalsContact C-N 3.25Å; T514-A516 PolarHBondContact O-N 3.44Å; T514-K517 PolarHBondContact O-N 2.98Å; T514-T518 WeakPolarHBondContact O-CG2 3.49Å; T514-T518 PolarHBondContact O-N 3.11Å; T514-T518 PolarHBondContact O-OG1 3.17Å; T514-T518 VanDerWaalsContact O-OG1 3.07Å
515R71.6Confident68.3Low148 Ų14893.5 Ų93.556%0.55850%0.499SS*.Hα-helixtrans-75.2-6.3175-68.1173.878.5-144.77114.1I511 E512 L513 T518 K519I511-R515 HydrophobicContact CG2-CG 4.45Å; I511-R515 WeakPolarHBondContact O-CB 3.34Å; I511-R515 WeakPolarHBondContact O-CG 3.19Å; I511-R515 PolarHBondContact O-N 2.67Å; E512-R515 CarbonylContact O-C 3.58Å; E512-R515 PolarHBondContact O-N 3Å; L513-R515 VanDerWaalsContact C-N 3.35Å; R515-T518 WeakPolarHBondContact CA-OG1 3.47Å; R515-K519 WeakPolarHBondContact O-CD 3.42Å; R515-K519 WeakPolarHBondContact O-CE 3.36Å; R515-K519 VanDerWaalsContact O-CG 3.31Å; R515-K519 WeakPolarHBondContact O-CG 3.35Å; R515-K519 PolarHBondContact O-NZ 3.3Å
516A67.6Low67Low35 Ų35100.8 Ų100.829%0.28952%0.522SS..Hα-helixtrans-86.4-59.9164.300000108.6E512 L513 T514 T518 K519 D520E512-A516 PolarHBondContact O-N 2.95Å; L513-A516 WeakPolarHBondContact O-CB 3.47Å; L513-A516 PolarHBondContact O-N 3.49Å; T514-A516 VanDerWaalsContact C-N 3.25Å; T514-A516 PolarHBondContact O-N 3.44Å; A516-T518 VanDerWaalsContact C-N 3.26Å; A516-T518 PolarHBondContact O-N 3.04Å; A516-T518 VanDerWaalsContact O-N 3.1Å; A516-K519 WeakPolarHBondContact O-CA 3.4Å; A516-K519 WeakPolarHBondContact O-CB 3.43Å; A516-K519 PolarHBondContact O-N 2.81Å; A516-D520 VanDerWaalsContact C-OD2 3.28Å; A516-D520 VanDerWaalsContact O-CG 3.29Å; A516-D520 PolarHBondContact O-N 2.73Å; A516-D520 VanDerWaalsContact O-OD2 3.13Å
517K67.6Low65.9Low131 Ų131103.1 Ų103.157%0.5753%0.53SS*.Hα-helixtrans-49.7-41.8178.1-71.9-179.8176.4-176.40113.3L513 T514 K519 D520 V521L513-K517 WeakPolarHBondContact O-CG 3.43Å; L513-K517 PolarHBondContact O-N 2.9Å; T514-K517 PolarHBondContact O-N 2.98Å; K517-K519 VanDerWaalsContact C-N 3.34Å; K517-K519 PolarHBondContact O-N 3.31Å; K517-D520 PolarHBondContact O-N 2.74Å; K517-V521 WeakPolarHBondContact O-CB 3.29Å; K517-V521 VanDerWaalsContact O-CG2 3.29Å; K517-V521 WeakPolarHBondContact O-CG2 3.42Å; K517-V521 PolarHBondContact O-N 3.09Å
518T63.8Low64.4Low76 Ų76107.5 Ų107.547%0.46655%0.546SS..Hα-helixtrans-68-29.5176.3550000113.6T514 R515 A516 V522T514-T518 WeakPolarHBondContact O-CG2 3.49Å; T514-T518 PolarHBondContact O-N 3.11Å; T514-T518 PolarHBondContact O-OG1 3.17Å; T514-T518 VanDerWaalsContact O-OG1 3.07Å; R515-T518 WeakPolarHBondContact CA-OG1 3.47Å; A516-T518 VanDerWaalsContact C-N 3.26Å; A516-T518 PolarHBondContact O-N 3.04Å; A516-T518 VanDerWaalsContact O-N 3.1Å; T518-V522 WeakPolarHBondContact O-CB 3.49Å; T518-V522 WeakPolarHBondContact O-CG2 3.37Å; T518-V522 PolarHBondContact O-N 3.36Å
519K68.5Low63Low121 Ų121110.1 Ų110.153%0.52656%0.561SS.*Hα-helixtrans-73.2-42.1172.9-66.8169.3-167.6140.20110.6R515 A516 K517 V521 V522 V523R515-K519 WeakPolarHBondContact O-CD 3.42Å; R515-K519 WeakPolarHBondContact O-CE 3.36Å; R515-K519 VanDerWaalsContact O-CG 3.31Å; R515-K519 WeakPolarHBondContact O-CG 3.35Å; R515-K519 PolarHBondContact O-NZ 3.3Å; A516-K519 WeakPolarHBondContact O-CA 3.4Å; A516-K519 WeakPolarHBondContact O-CB 3.43Å; A516-K519 PolarHBondContact O-N 2.81Å; K517-K519 VanDerWaalsContact C-N 3.34Å; K517-K519 PolarHBondContact O-N 3.31Å; K519-V521 VanDerWaalsContact C-N 3.32Å; K519-V521 PolarHBondContact O-N 3.36Å; K519-V522 CarbonylContact O-C 3.58Å; K519-V522 WeakPolarHBondContact O-CA 3.34Å; K519-V522 PolarHBondContact O-N 2.82Å; K519-V522 VanDerWaalsContact O-N 3.07Å; K519-V523 WeakPolarHBondContact O-CG2 3.46Å; K519-V523 PolarHBondContact O-N 3.22Å
520D54.5Low61.5Low90 Ų90115.7 Ų115.748%0.48158%0.581SS.*Hα-helixtrans-63.7-40.8179.7-50.6-33.9000110.5A516 K517 V523 N524A516-D520 VanDerWaalsContact C-OD2 3.28Å; A516-D520 VanDerWaalsContact O-CG 3.29Å; A516-D520 PolarHBondContact O-N 2.73Å; A516-D520 VanDerWaalsContact O-OD2 3.13Å; K517-D520 PolarHBondContact O-N 2.74Å; D520-V523 PolarHBondContact O-N 3.42Å; D520-N524 WeakPolarHBondContact O-CB 3.22Å; D520-N524 PolarHBondContact O-N 3.43Å
521V59.2Low59.7Low95 Ų95120 Ų12058%0.57660%0.597SS**Hα-helixtrans-65.4-37.4170.71710000112.4K517 K519 S525K517-V521 WeakPolarHBondContact O-CB 3.29Å; K517-V521 VanDerWaalsContact O-CG2 3.29Å; K517-V521 WeakPolarHBondContact O-CG2 3.42Å; K517-V521 PolarHBondContact O-N 3.09Å; K519-V521 VanDerWaalsContact C-N 3.32Å; K519-V521 PolarHBondContact O-N 3.36Å; V521-S525 WeakPolarHBondContact O-CB 3.37Å; V521-S525 PolarHBondContact O-N 3.4Å; V521-S525 PolarHBondContact O-OG 3.19Å
522V51.8Low58.1Low96 Ų96126.5 Ų126.558%0.58262%0.616SS**Hα-helixtrans-70.6-30.3175.4163.90000112.9T518 K519 S525T518-V522 WeakPolarHBondContact O-CB 3.49Å; T518-V522 WeakPolarHBondContact O-CG2 3.37Å; T518-V522 PolarHBondContact O-N 3.36Å; K519-V522 CarbonylContact O-C 3.58Å; K519-V522 WeakPolarHBondContact O-CA 3.34Å; K519-V522 PolarHBondContact O-N 2.82Å; K519-V522 VanDerWaalsContact O-N 3.07Å; V522-S525 WeakPolarHBondContact CA-OG 3.16Å; V522-S525 PolarHBondContact O-OG 3.13Å
523V52.6Low56Low97 Ų97132.4 Ų132.459%0.58863%0.634SS**Hα-helixtrans-71.6-51.3171.2171.60000110K519 D520 S525 R526K519-V523 WeakPolarHBondContact O-CG2 3.46Å; K519-V523 PolarHBondContact O-N 3.22Å; D520-V523 PolarHBondContact O-N 3.42Å; V523-S525 VanDerWaalsContact C-N 3.34Å; V523-S525 PolarHBondContact O-N 2.91Å; V523-R526 WeakPolarHBondContact O-CB 3.25Å; V523-R526 PolarHBondContact O-N 2.89Å; V523-R526 VanDerWaalsContact O-N 3.15Å
524N49.5Very low54.2Low121 Ų121137.1 Ų137.165%0.64765%0.651SS**Hα-helixtrans-66.3-31.5-177.7-73.1-7000113.4D520 R526 T527D520-N524 WeakPolarHBondContact O-CB 3.22Å; D520-N524 PolarHBondContact O-N 3.43Å; N524-R526 PolarHBondContact O-N 2.84Å; N524-T527 PolarHBondContact O-OG1 3.36Å
525S48Very low52.5Low61 Ų61140.3 Ų140.343%0.42767%0.665SS.*THydrogen-bonded Turntrans-75.9-7.9176.857.20000114.4V521 V522 V523V521-S525 WeakPolarHBondContact O-CB 3.37Å; V521-S525 PolarHBondContact O-N 3.4Å; V521-S525 PolarHBondContact O-OG 3.19Å; V522-S525 WeakPolarHBondContact CA-OG 3.16Å; V522-S525 PolarHBondContact O-OG 3.13Å; V523-S525 VanDerWaalsContact C-N 3.34Å; V523-S525 PolarHBondContact O-N 2.91Å
526R46.1Very low50.8Low224 Ų224142.3 Ų142.385%0.84568%0.68SS**THydrogen-bonded Turntrans-86.4-11.4179.3-137.6175.4-169.7-166.81.9113.9V523 N524V523-R526 WeakPolarHBondContact O-CB 3.25Å; V523-R526 PolarHBondContact O-N 2.89Å; V523-R526 VanDerWaalsContact O-N 3.15Å; N524-R526 PolarHBondContact O-N 2.84Å
527T50.5Low49.4Very low102 Ų102146.4 Ų146.463%0.62670%0.701SS**  trans-103.443.9-177.651.70000113.1N524 K529N524-T527 PolarHBondContact O-OG1 3.36Å; T527-K529 PolarHBondContact O-N 2.91Å
528K49.9Very low47.8Very low186 Ų186148.2 Ų148.281%0.80971%0.711SS**  trans-65.174.6176-67.2-172.5-179.5-175.30113K530K528-K530 PolarHBondContact O-N 3.35Å
529K58.5Low46.6Very low184 Ų184150.1 Ų150.180%0.873%0.725SS**  trans-63.8123.9160.7-65.8175.4-176.3170.20107.5T527 L531T527-K529 PolarHBondContact O-N 2.91Å; K529-L531 PolarHBondContact O-N 3.07Å; K529-L531 VanDerWaalsContact O-N 3.1Å
530K47.3Very low44.8Very low211 Ų211153.1 Ų153.192%0.91774%0.741SS**  trans-66.2109.3171.8-66.5-174.5177.9-174.70108.2K528 R532K528-K530 PolarHBondContact O-N 3.35Å; K530-R532 PolarHBondContact O-N 3.03Å
531L40.5Very low43.8Very low158 Ų158158.3 Ų158.383%0.82776%0.759SS**  trans-64.4114.6162.2-9775000107K529K529-L531 PolarHBondContact O-N 3.07Å; K529-L531 VanDerWaalsContact O-N 3.1Å
532R49.7Very low42.5Very low229 Ų229162.8 Ų162.886%0.86477%0.774SS**PPolyproline II helixtrans-78.2129.6161.8-158.6179.8-157.6-162.13.6106.3K530K530-R532 PolarHBondContact O-N 3.03Å
533W34.7Very low41.5Very low234 Ų234163.6 Ų163.689%0.88678%0.784SS**PPolyproline II helixtrans-64.4146.1171.3-70.145.3000108.5
534F36.3Very low40.6Very low198 Ų198167.2 Ų167.287%0.86879%0.791SS**PPolyproline II helixtrans-103.6129.1163-81.1-89000106.8E536F534-E536 PolarHBondContact O-N 3.25Å
535D33.5Very low39.8Very low150 Ų150169.3 Ų169.380%0.80280%0.798SS**PPolyproline II helixtrans-70.1119.5165.2-68.5-56000108.4V537D535-V537 VanDerWaalsContact C-N 3.32Å; D535-V537 HydrophobicContact CB-CG2 4.46Å; D535-V537 PolarHBondContact O-N 3.28Å; D535-V537 VanDerWaalsContact O-N 3.09Å
536E36.6Very low38.9Very low189 Ų189174.6 Ų174.688%0.88382%0.815SS**  trans-84.978.2177.7-169.1157.4-143.100109.5F534 H538F534-E536 PolarHBondContact O-N 3.25Å; E536-H538 PolarHBondContact O-N 2.94Å
537V38.6Very low38.1Very low121 Ų121169.7 Ų169.773%0.73381%0.806SS**  trans-68.8123.6175.3-174.10000109.2D535 P539D535-V537 VanDerWaalsContact C-N 3.32Å; D535-V537 HydrophobicContact CB-CG2 4.46Å; D535-V537 PolarHBondContact O-N 3.28Å; D535-V537 VanDerWaalsContact O-N 3.09Å; V537-P539 WeakPolarHBondContact O-CD 3.4Å
538H33.2Very low37Very low169 Ų169172.1 Ų172.178%0.78282%0.821SS**  trans-54.8124.3177.7-94.3-103.3000112.1E536 E540E536-H538 PolarHBondContact O-N 2.94Å; H538-E540 PolarHBondContact O-N 3.29Å
539P39.1Very low35.9Very low116 Ų116167.5 Ų167.575%0.75382%0.818SS**  trans-83.691.7166.432.5-31000109.8V537V537-P539 WeakPolarHBondContact O-CD 3.4Å
540E30.1Very low34.6Very low185 Ų185165.3 Ų165.386%0.86482%0.815SS**  trans-64.5152.5161.7-67.2-158.3140.200110.7H538H538-E540 PolarHBondContact O-N 3.29Å
541K35Very low33.7Very low198 Ų198163.1 Ų163.186%0.86181%0.807SS**  trans-105.2101.3-168.7-62.8171.4-174.2166.10110.8
542E30.8Very low33Very low190 Ų190164.3 Ų164.389%0.88881%0.809SS**  trans-87.5110.2161.4-71.5-159.214700110.8
543S31.8Very low31.9Very low112 Ų112161.9 Ų161.978%0.78380%0.804SS**  trans-114.6121162.554.70000108.4
544K32.4Very low31.6Very low173 Ų173156.7 Ų156.775%0.75280%0.801SS**  trans-80.9136.5179.1-70.4-162.4172.2-162.30112.3
545E33.1Very low31.1Very low166 Ų166152.6 Ų152.678%0.77679%0.792SS**  trans52.2110.4146.9-63.4165.3121.100117.9
546Q28.7Very low30.7Very low171 Ų171150.9 Ų150.980%0.79979%0.792SS**  -167.4145.599.5-100.3-175.1-86.300113.3
547D29.1Very low30.1Very low121 Ų121150.2 Ų150.265%0.64779%0.788SS**  trans43.9106.7146.5-50.4-29.8000120.9
548T27.4Very low30.2Very low154 Ų154149.8 Ų149.895%0.94579%0.788SS**  -174.3153.3103.4230000111.4
549A28.5Very low29.8Very low89 Ų89146.7 Ų146.774%0.73678%0.781SS**  trans-125.4129.2175.400000111.1
550N30.3Very low29.1Very low138 Ų138148 Ų14874%0.73878%0.782SS**  trans-170.2125.2155.3-92.8-38.5000106.5
551Q27.6Very low29Very low164 Ų164144.8 Ų144.877%0.76678%0.775SS**  64.2132.893.3-64.2-166.491.800112.7
552E26.6Very low28.8Very low184 Ų184140.1 Ų140.186%0.8677%0.767SS**  cis-134.5-179.925.9-72.8-17414700115.6
553K25.9Very low28.8Very low177 Ų177138.7 Ų138.777%0.7776%0.758SS**  trans-100165.3172.6-136.1173.5-171.7175.90108.4
554P28.5Very low28.6Very low125 Ų125138.8 Ų138.881%0.81275%0.749SS**  -146162.182.736.9-19.6000115.6
555V25.6Very low28.7Very low113 Ų113137 Ų13769%0.68574%0.743SS**  trans-132.4136.5165.7168.30000106.8
556S25Very low28.4Very low114 Ų114136.8 Ų136.880%0.79774%0.742SS**  trans-81138.4169.435.80000111.4
557H25.6Very low29.1Very low175 Ų175133.7 Ų133.781%0.8174%0.737SS**  trans-73.9175.6177.1-58.5-77.5000112.1
558P40.2Very low28.9Very low112 Ų112138.2 Ų138.273%0.72775%0.745SS**  cis-126.9-159.83.330.8-5.5000111.8
559T25.3Very low28.8Very low103 Ų103137.4 Ų137.463%0.63273%0.734SS**  cis-164.6153.719.8-22.70000111.6
560N24.4Very low28.8Very low143 Ų143138.9 Ų138.977%0.76573%0.734SS**  trans65.4149.3155.7-63.9-19.3000119.2
561V27.3Very low28.7Very low119 Ų119139.1 Ų139.172%0.72174%0.74SS**  cis-156.8160.8-11.8121.40000109.5
562S30.7Very low28.6Very low99 Ų99139.3 Ų139.369%0.69274%0.741SS**  trans-1.7150.1162-49.10000120.3
563K31.5Very low28.6Very low160 Ų160136.8 Ų136.870%0.69673%0.734SS**  cis-164.1-164.311.8-128.7164.1155.8-79.10107.2
564D27.4Very low28.6Very low114 Ų114136.6 Ų136.661%0.6174%0.736SS**  cis-151.2-154.76.9-139.7-37.6000113.3
565H34.9Very low28.7Very low135 Ų135134.9 Ų134.963%0.62573%0.727SS**  trans-132.8143.6-158.8-78.7-80.9000117.3
566H26.7Very low28.8Very low163 Ų163135.2 Ų135.276%0.75573%0.734SS**  trans69178.5136.8-67.6-44.8000120.1
567P43.4Very low29.4Very low106 Ų106139.3 Ų139.369%0.68874%0.738SS**  -142.6-166.4-66.644.9-29000115.8
568R24Very low30.3Very low216 Ų216137.5 Ų137.582%0.81574%0.741SS**  trans94.2115.4146.3-87.2-174.4153.7-146.8-5.1122.4
569L26.6Very low29.7Very low137 Ų137135.5 Ų135.572%0.71774%0.741SS**  86.6158.2123.2-74.5172.1000123.6
570T26.8Very low30.8Very low119 Ų119136 Ų13673%0.7375%0.746SS**  trans-102.3156.9-161.7440000114.5
571T28.5Very low30.9Very low143 Ų143140.8 Ų140.888%0.87775%0.754SS**  trans-137.1-176167.152.10000111.7
572E26.2Very low31.7Very low168 Ų168142.8 Ų142.879%0.78576%0.758SS**  trans-160.7164.7-144.3-108.5-175-9900110.9
573N27.3Very low32.3Very low132 Ų132143.1 Ų143.171%0.70676%0.758SS**  cis-158.3-149.8-4.2-156.2-39.4000108.7
574E25.6Very low32.1Very low172 Ų172141.1 Ų141.180%0.80476%0.764SS**  trans83.5143.1159.8-61.4-160.6177.100120.4
575S29Very low32Very low90 Ų90140 Ų14063%0.62977%0.771SS**  cis-162.4160.1-24.561.10000113.2
576S29.4Very low31.7Very low120 Ų120140 Ų14084%0.83978%0.781SS**  trans80147.8155.983.70000123
577K37.2Very low31.9Very low200 Ų200137.5 Ų137.587%0.8778%0.782SS**  trans-159.2141.7168.9-110.1179.8-179.7173.10105.5
578P44.3Very low31.3Very low136 Ų136139 Ų13988%0.88379%0.789SS**  -144.9173.478.737.5-18.5000112.6
579G28.2Very low31.5Very low70 Ų70131.8 Ų131.872%0.72278%0.782SS**  159.3178.351.600000109.8
580P48.4Very low31.8Very low114 Ų114134.6 Ų134.674%0.7478%0.784SS**  trans-123155.5-150.840.1-30000118.6
581R26.5Very low32.3Very low244 Ų244135.5 Ų135.592%0.92178%0.78SS**  trans-170.3167.7140.1-110.6159.8-76.3-161.31.5114.1
582I43.6Very low32.6Very low160 Ų160136.6 Ų136.682%0.82177%0.772SS**  trans-146.5157.3-166.9-74171.8000106.2
583P43.8Very low33Very low106 Ų106133.4 Ų133.469%0.68877%0.765SS**  cis-131.7174.39.623.52000118.1
584S26.3Very low33.7Very low118 Ų118137.4 Ų137.483%0.82578%0.776SS**  trans33.8124.6142.8-53.10000123.7
585A26Very low34.8Very low92 Ų92135.5 Ų135.576%0.7677%0.767SS**  164123.9104.900000115.7
586T28.2Very low34.9Very low133 Ų133135.8 Ų135.882%0.81678%0.775SS**  trans30.6119.9149.353.30000124.1
587S30.3Very low35.2Very low111 Ų111139.4 Ų139.478%0.77677%0.77SS**  73.1129.5126.6-161.40000122.1
588V31.3Very low35Very low139 Ų139133.3 Ų133.384%0.84276%0.757SS**  -175.1136.8113.7150.10000111.7
589G27.8Very low34.6Very low64 Ų64133.6 Ų133.666%0.6675%0.751SS**  trans89.2152.616100000117.5
590Y32.8Very low34.8Very low195 Ų195136.1 Ų136.177%0.76575%0.752SS**  cis-159.7125.7-3.7-146.6-123.9000111.6
591H38.5Very low33.9Very low139 Ų139133.8 Ų133.864%0.64475%0.749SS**  trans72.9147.9146.6-74.3-150.8000120.4
592F34.8Very low34Very low165 Ų165130.6 Ų130.672%0.72475%0.748SS**  cis-158.7146.1-14.9-171.3-119.1000111.6
593T34.8Very low33.2Very low102 Ų102131.8 Ų131.863%0.62675%0.75SS**  trans45.8102.8166.551.40000121.6
594K41.7Very low32.5Very low216 Ų216132.9 Ų132.994%0.93976%0.755SS**  -143.680.3129.1-90.4-164.1179-179.30109.6
595E47.7Very low32.6Very low132 Ų132132.3 Ų132.362%0.61775%0.751SS**  trans-158.7130.4175.3-161.8159.6-140.600113.9W597E595-W597 HydrophobicContact CG-CD2 3.98Å; E595-W597 HydrophobicContact CG-CG 4.12Å; E595-W597 HydrophobicContact CG-CZ2 4.27Å; E595-W597 WeakPolarHBondContact OE2-CZ2 3.43Å
596A31.4Very low32.8Very low96 Ų96136 Ų13679%0.79376%0.757SS**  trans-171.4131134.800000110.9
597W35Very low32.7Very low195 Ų195133.9 Ų133.974%0.73975%0.753SS**  cis-164.8172-24.4-116.8111.8000107.8E595E595-W597 HydrophobicContact CG-CD2 3.98Å; E595-W597 HydrophobicContact CG-CG 4.12Å; E595-W597 HydrophobicContact CG-CZ2 4.27Å; E595-W597 WeakPolarHBondContact OE2-CZ2 3.43Å
598A34.4Very low32.5Very low72 Ų72136.1 Ų136.160%0.59575%0.751SS**  trans-121.7-164.5157.800000107.8
599D35.8Very low32.3Very low142 Ų142137.7 Ų137.776%0.75975%0.746SS**  cis-149.5-169.5-5.3-159.16.9000109.6G601D599-G601 PolarHBondContact O-N 3.49Å
600V32.2Very low32.3Very low124 Ų124146.5 Ų146.575%0.75276%0.76SS**  trans-1.8116.2144.7172.70000117.1
601G29Very low32.1Very low65 Ų65141.2 Ų141.267%0.6776%0.757SS**  95.9151122.600000119.4D599D599-G601 PolarHBondContact O-N 3.49Å
602I28Very low31.5Very low177 Ų177140.7 Ų140.791%0.90876%0.759SS**  trans-160.1144.8136.9-106.6162.4000108.7
603Q27.2Very low31.3Very low184 Ų184141.1 Ų141.186%0.8676%0.76SS**  trans-102.7163.4178.7-164.6175.223.500111
604V29.8Very low31.2Very low129 Ų129141.9 Ų141.978%0.78276%0.764SS**  trans-47.7146.9-179.3168.20000115.4
605S28.3Very low30.8Very low106 Ų106141.1 Ų141.174%0.74176%0.761SS**  trans101.7112.1151.867.30000122.7
606L29.3Very low29.8Very low170 Ų170139.5 Ų139.589%0.8977%0.77SS**  62.2114118.6-163.576.9000121.7
607A25.9Very low29.8Very low88 Ų88142.3 Ų142.373%0.72777%0.771SS**  trans-145.7135.6138.500000107.2
608Q27.7Very low29.6Very low159 Ų159143.1 Ų143.174%0.74377%0.774SS**  cis62.2120.649.4-166.480.1-30.600112.8
609K26.5Very low29.4Very low171 Ų171145.4 Ų145.474%0.74378%0.78SS**  cis-180117.4-14.6157.6-173.6173.4-175.90105.9
610R26.9Very low29.2Very low250 Ų250142.8 Ų142.894%0.94377%0.773SS**  trans-155.7144.3163.6-76.3-172.4179.4161.3-1.2107.9
611A29.1Very low29.2Very low84 Ų84143.2 Ų143.269%0.69477%0.77SS**  cis-154.9165.4-24.400000108.2
612D26.5Very low29.6Very low128 Ų128150.5 Ų150.568%0.68478%0.777SS**  trans60.9121.7163-86.427.4000122.8
613K30.4Very low29.6Very low174 Ų174147.9 Ų147.976%0.75777%0.769SS**  trans79.4110.2136-67.1-174.9177.695.50121.8
614V32.4Very low29.6Very low118 Ų118142.9 Ų142.972%0.71577%0.768SS**  92.4112123.1174.40000120.2
615K33.4Very low29.6Very low200 Ų200140.6 Ų140.687%0.8777%0.77SS**  trans69.7113147.5-70171.5-172.9178.80122.2
616A26.7Very low29.9Very low97 Ų97141.1 Ų141.180%0.80277%0.774SS**  trans-33.6151.315600000121
617L31.6Very low30.1Very low155 Ų155142.9 Ų142.981%0.81277%0.774SS**  -166.2117.3121.7-145.762.8000108.6
618R29.5Very low30.9Very low213 Ų213145.3 Ų145.380%0.80478%0.78SS**  75.814072.7-133.6-170.5-159.6-122.45.4115.8
619T31.5Very low31.6Very low119 Ų119143.2 Ų143.273%0.7378%0.78SS**  trans68.8154158.733.80000119.2
620S31.3Very low31.9Very low88 Ų88146 Ų14662%0.61579%0.786SS**  cis-159.5142.7-5.2167.90000113.5
621I32.9Very low32.3Very low133 Ų133144 Ų14468%0.68278%0.779SS**  trans-1.9135.4134.9-9.5166.4000116.6
622R35.7Very low32.3Very low218 Ų218146.6 Ų146.682%0.82378%0.781SS**  173172.581.9-102.6152.8176.3-87-3.5110.3
623T28.7Very low32.4Very low121 Ų121146.2 Ų146.274%0.74279%0.788SS**  cis178.9137-37.1-82.80000109.7
624G27.2Very low32.2Very low80 Ų80145 Ų14583%0.82579%0.789SS**  trans95.4162.8169.200000115.8
625G29.4Very low32.5Very low81 Ų81144.2 Ų144.284%0.83579%0.787SS**  cis-171.5156.1-3.400000112.5
626S35.8Very low32.3Very low117 Ų117145.3 Ų145.382%0.81879%0.786SS**  trans-83150-166.6-33.50000115.5
627K33.7Very low32.6Very low207 Ų207148.7 Ų148.790%0.979%0.79SS**  trans-179.8161.4137.5-98.7151.4-171.4179.10113
628V42.4Very low32.5Very low139 Ų139145.4 Ų145.484%0.84279%0.793SS**  trans-130.8137.3174.8173.20000108.9
629P41.3Very low32.5Very low115 Ų115139.2 Ų139.275%0.74780%0.795SS**  trans-145.9131.6143.334.2-16.6000116.2
630R33.2Very low32.5Very low229 Ų229137.2 Ų137.286%0.86480%0.798SS**  trans48.1116.6136.4-64.8-178.5173.5170-2.1122
631R36.2Very low33Very low209 Ų209138.9 Ų138.979%0.78981%0.807SS**  93138.9118.3-87.3-166.8-175.7175.9-0.1123.6
632D28.4Very low33.1Very low138 Ų138139 Ų13974%0.73881%0.814SS**  trans86.5140.4139.2-58.3-11.5000124.4
633S28.4Very low32.9Very low120 Ų120133.5 Ų133.584%0.83981%0.808SS**  trans87.4124.6162.4-154.40000122.5
634N27.3Very low33.3Very low147 Ų147132.4 Ų132.479%0.78681%0.806SS**  trans-62.8175.9154.9-71.1-40.6000111.1
635P37.9Very low33.6Very low103 Ų103139.3 Ų139.367%0.66981%0.807SS**  cis-153.2-165.226.946.3-24.8000118.4
636R29.7Very low33.9Very low223 Ų223141.1 Ų141.184%0.84280%0.801SS**  trans73.5118.2159.4-69172.8-167.9-127.7-1.1116
637L31.7Very low34.1Very low168 Ų168146.4 Ų146.488%0.8880%0.804SS**  81.7117.468.2-81.8179.2000114.5
638G29.6Very low34.6Very low85 Ų85146.7 Ų146.788%0.87681%0.805SS**  trans92.4113.5149.500000117.5
639G29.7Very low34.3Very low83 Ų83144 Ų14486%0.85681%0.805SS**  trans154.9118.2166.600000114.4
640G31.5Very low34.3Very low77 Ų77145 Ų14579%0.79481%0.809SS**  trans-92.5-167.2155.500000110.7
641P42.6Very low34.7Very low123 Ų123141.7 Ų141.780%0.79981%0.807SS**  cis-132.9175.68.441.5-25.2000115.8
642V35.3Very low35.2Very low137 Ų137139.4 Ų139.483%0.8381%0.809SS**  trans12121.4148.6-1760000118.9
643S30.9Very low35.9Very low101 Ų101142.6 Ų142.671%0.70681%0.81SS**  -176140109.9-167.40000115.3
644S37.2Very low36.9Very low99 Ų99142.7 Ų142.769%0.69281%0.808SS**  trans15.3139.1156.266.70000123
645R33.7Very low37.4Very low225 Ų225144 Ų14485%0.84981%0.81SS**  174.3117.3107.1-175.4167.8-72.7-127.4-0.4115.1
646V36Very low37.8Very low118 Ų118144 Ų14472%0.71581%0.812SS**  trans68.3111.1149.2176.10000121.9
647R40.2Very low38.7Very low229 Ų229138.2 Ų138.286%0.86481%0.812SS**  trans34.4119135-51.4177.3-178.3177.3-0.2120.9
648K44.1Very low39.6Very low212 Ų212136 Ų13692%0.92281%0.806SS**  -154.8155.3118.3-106160.5-175.5176.70109.4
649G36Very low40.2Very low82 Ų82140 Ų14085%0.84580%0.802SS**  trans-88.7152.3-168.700000114.3
650T39.8Very low40.8Very low136 Ų136141.8 Ų141.883%0.83480%0.796SS**  trans-109.4137.5-179.8-51.10000111.3
651I43.1Very low41.5Very low161 Ų161145.6 Ų145.683%0.82680%0.796SS**  trans-71.8123.7177.3-62.6163.4000109.2R653I651-R653 PolarHBondContact O-N 3.41Å
652I46.1Very low41.8Very low160 Ų160148.6 Ų148.682%0.82180%0.8SS**  trans-78.9102.9177.4-59178.4000109.5
653R44Very low42.4Very low205 Ų205148.8 Ų148.877%0.77480%0.795SS**PPolyproline II helixtrans-76.3123166.4178.6-177.6178.4114-6.2109I651 Q655I651-R653 PolarHBondContact O-N 3.41Å; R653-Q655 PolarHBondContact O-N 2.92Å
654P49.1Very low43Very low123 Ų123150.2 Ų150.280%0.79980%0.799SS**PPolyproline II helixtrans-69.8121.4173.228.2-32.6000110.1
655Q38.3Very low43.7Very low173 Ų173155.4 Ų155.481%0.80881%0.809SS**PPolyproline II helixtrans-98.1159.3172.5-73.9177.2-45.700111.1R653R653-Q655 PolarHBondContact O-N 2.92Å
656S45.5Very low44.2Very low103 Ų103151 Ų15172%0.7281%0.807SS**PPolyproline II helixtrans-71.2141.1-17336.30000113.7T658S656-T658 PolarHBondContact O-N 3.35Å
657A48.4Very low44.7Very low103 Ų103155.3 Ų155.385%0.85182%0.82SS**THydrogen-bonded Turntrans-76.740-167.200000115.9
658T50.3Low44.6Very low122 Ų122147.3 Ų147.375%0.74881%0.808SS**THydrogen-bonded Turntrans-107.6-17.4-171.9-40.20000113.9S656S656-T658 PolarHBondContact O-N 3.35Å
659E42.8Very low44.9Very low169 Ų169147.1 Ų147.179%0.7981%0.807SS**  trans-108.911.3-163.8-155.7162.8-142.400115.4I661E659-I661 VanDerWaalsContact C-N 3.31Å; E659-I661 PolarHBondContact O-N 3.33Å
660V42.5Very low45.2Very low120 Ų120150.6 Ų150.673%0.72781%0.805SS**THydrogen-bonded Turntrans-79.8-7.3-172.2-177.60000113.7
661I45.9Very low45.5Very low157 Ų157152.6 Ų152.681%0.80581%0.807SS**THydrogen-bonded Turntrans-83.5-13.6-166.4-67.7178.1000114.5E659E659-I661 VanDerWaalsContact C-N 3.31Å; E659-I661 PolarHBondContact O-N 3.33Å
662Q48.9Very low46.1Very low185 Ų185150.7 Ų150.786%0.86480%0.803SS**SBendtrans-106.9-3.5-172.8-65.9-157.52.200117.4
663I47Very low46.2Very low141 Ų141148.6 Ų148.672%0.72380%0.799SS**  trans-102.722.4-173-30.4-176.2000113.9
664V44.5Very low46Very low131 Ų131150.3 Ų150.379%0.79481%0.806SS**  trans-105.165.1177.7-169.40000110.9
665K51.5Low46.2Very low208 Ų208149.6 Ų149.690%0.90480%0.801SS**  trans-160.432.1174.3-119.3164.3-168.3177.30117.4
666T43.1Very low46.5Very low133 Ų133146.8 Ų146.882%0.81680%0.798SS**SBendtrans-118.8141.5167.949.90000111.2G668T666-G668 PolarHBondContact O-N 3.03Å
667Q47.8Very low46.5Very low209 Ų209148 Ų14898%0.97780%0.803SS**  trans-81.3105.4-178.2-71.6-179-15.200110.8
668G38.8Very low45.6Very low60 Ų60154.1 Ų154.162%0.61980%0.804SS**  trans-132.4122.7172.200000111.2T666 I670T666-G668 PolarHBondContact O-N 3.03Å; G668-I670 VanDerWaalsContact C-N 3.35Å; G668-I670 PolarHBondContact O-N 2.97Å
669K49.1Very low44.9Very low209 Ų209154.8 Ų154.891%0.90981%0.808SS**  trans-76.882.1177.1-68.9-179.8-178.8175.70110.4M671K669-M671 PolarHBondContact O-N 2.74Å
670I43.1Very low44.2Very low154 Ų154154.4 Ų154.479%0.7981%0.807SS**  trans-69.2113.4171.5-60.2176.8000108.4G668 V672G668-I670 VanDerWaalsContact C-N 3.35Å; G668-I670 PolarHBondContact O-N 2.97Å; I670-V672 PolarHBondContact O-N 3.31Å
671M45.3Very low43.8Very low179 Ų179154.3 Ų154.388%0.88281%0.809SS**  trans-75109.1175.2-71.8178.36200110K669K669-M671 PolarHBondContact O-N 2.74Å
672V56.4Low43Very low121 Ų121152.8 Ų152.873%0.73381%0.806SS**PPolyproline II helixtrans-73.6124.9169.3-178.40000108.5I670 R674I670-V672 PolarHBondContact O-N 3.31Å; V672-R674 PolarHBondContact O-N 3.03Å
673P46.9Very low42.3Very low115 Ų115152.4 Ų152.475%0.74781%0.805SS**PPolyproline II helixtrans-63.8131.4172.327.1-33.2000109.5
674R40.3Very low41.7Very low241 Ų241154.5 Ų154.591%0.90981%0.812SS**PPolyproline II helixtrans-64.6137.3-178.5-70.5-178.6175.3177.2-2.1110.5V672V672-R674 PolarHBondContact O-N 3.03Å
675P53.6Low41.1Very low108 Ų108154.4 Ų154.470%0.70181%0.806SS**PPolyproline II helixtrans-63.7151.3162.129.9-34.1000109.7
676P45.8Very low39.9Very low115 Ų115151.4 Ų151.475%0.74780%0.8SS**PPolyproline II helixtrans-64.1143.1175.127.7-34.3000110.5
677P43.5Very low39.3Very low127 Ų127149 Ų14983%0.82579%0.794SS**PPolyproline II helixtrans-65.9139.6176.428.4-34.1000110.6
678R30.2Very low38.5Very low232 Ų232148.5 Ų148.588%0.87579%0.788SS**PPolyproline II helixtrans-75.7145166.5-78.8179.6164.7173-7.1109.6
679T36.4Very low38Very low137 Ų137155.1 Ų155.184%0.8480%0.803SS**  trans-83.3113.7170.247.90000109.6
680E27.7Very low36.9Very low161 Ų161149.1 Ų149.175%0.75279%0.793SS**PPolyproline II helixtrans-74.8136.2162.3-60.6-61.9154.800108.9
681P33.5Very low36.5Very low118 Ų118147.4 Ų147.477%0.76679%0.792SS**PPolyproline II helixtrans-77.7120.4170.130.9-31.1000110
682T30.3Very low35.6Very low124 Ų124142.9 Ų142.976%0.76178%0.783SS**PPolyproline II helixtrans-81.9126.1174.2-54.90000110.4E684T682-E684 HydrophobicContact CG2-CG 4.44Å; T682-E684 PolarHBondContact O-N 3.44Å
683E34.3Very low34.3Very low178 Ų178142.5 Ų142.583%0.83278%0.781SS**  trans-75.5115.5166.7-63.3-179.3160.600109.9
684E34.6Very low33.3Very low185 Ų185144.4 Ų144.486%0.86478%0.78SS**  trans-109.9143.4166.4-83.5-163.5146.700111.8T682T682-E684 HydrophobicContact CG2-CG 4.44Å; T682-E684 PolarHBondContact O-N 3.44Å
685N30.6Very low32.8Very low128 Ų128140.6 Ų140.668%0.68477%0.772SS**  trans-114.7127.5-166.6-95.8-89.3000112
686N27.7Very low31.4Very low146 Ų146138.7 Ų138.778%0.78177%0.766SS**  trans69123.2148.3-64.7-54.4000120.8
687A28.6Very low31Very low81 Ų81138.2 Ų138.267%0.66976%0.763SS**  111.8116.3123.400000119.8
688K31.6Very low30.2Very low200 Ų200136.6 Ų136.687%0.8775%0.754SS**  trans62.4113.9141.4-58167.2-176.1177.60118.3
689Q28.6Very low30.1Very low198 Ų198136 Ų13693%0.92575%0.752SS**  -161.3158.697.2-156.2145.9-12.100111.3
690A25.5Very low29.9Very low84 Ų84135 Ų13569%0.69474%0.741SS**  trans-137154171.300000109.3
691P34.8Very low29.9Very low118 Ų118133.6 Ų133.677%0.76674%0.739SS**  -128.7162104.539.2-30.8000111
692A26.7Very low29.7Very low84 Ų84133.1 Ų133.169%0.69474%0.739SS**  cis67.4139.94500000112.7
693T29.3Very low29.6Very low112 Ų112132.3 Ų132.369%0.68774%0.744SS**  cis-147.9-167.916-25.30000111.7
694E26.7Very low29.4Very low156 Ų156132 Ų13273%0.72974%0.743SS**  trans67.8138.3176.8-77.658.5-82.400117.1
695E28.3Very low29Very low160 Ų160129.9 Ų129.975%0.74874%0.743SS**  cis-157.9-158.2-16.4-135-59.593.400110.2
696A24.1Very low29Very low69 Ų69133 Ų13357%0.5775%0.746SS**  trans-127.4-160.7-170.200000109.7
697P38.1Very low29.5Very low105 Ų105131.9 Ų131.968%0.68275%0.747SS**  cis-142.5167.20.143.4-24.9000119
698S26.3Very low29.2Very low92 Ų92133.2 Ų133.264%0.64375%0.75SS**  trans80.6127.6138.275.70000123.6
699R29.1Very low29.6Very low220 Ų220129.1 Ų129.183%0.8374%0.744SS**  68.3151.4124.8-67.5-178.5174.8176.7-1.4119.3
700N30.8Very low29.7Very low115 Ų115126.9 Ų126.962%0.61574%0.737SS**  cis-164.8165.1-3.1-117.63.3000111.9
701N28.3Very low29.9Very low133 Ų133127.9 Ų127.971%0.71174%0.737SS**  trans61.1133.2151.5-58.92.3000119
702S28.6Very low29.7Very low108 Ų108129.3 Ų129.376%0.75574%0.738SS**  cis102.2106.522.377.10000115.6
703A29.8Very low29.7Very low106 Ų106134.5 Ų134.588%0.87675%0.745SS**  trans-163.9144154.200000111.4
704Q28.9Very low29.8Very low172 Ų172136.6 Ų136.680%0.80475%0.751SS**  trans-111.4156169.9-63.1165.7-78.300109.8
705T26.1Very low29.8Very low140 Ų140135.9 Ų135.986%0.85975%0.752SS**  trans-169145.6144.2-81.10000110.6
706Y30Very low29.6Very low195 Ų195133.8 Ų133.877%0.76575%0.754SS**  trans-104177.2178.7-78.3-84.9000110.1
707P39.3Very low29.7Very low121 Ų121137.4 Ų137.479%0.78676%0.764SS**  cis-135.5-173.313.742.2-22.7000116.6
708C22.9Very low29.2Very low109 Ų109137.8 Ų137.874%0.73676%0.764SS**  trans-77.6169.8-179.4-45.50000113.7
709P39.8Very low29.4Very low115 Ų115140.8 Ų140.875%0.74777%0.773SS**  -147.9146.191.237.1-20.1000118.1
710I30.8Very low29.2Very low151 Ų151134.2 Ų134.277%0.77477%0.774SS**  trans70.8125.5141.3-64.2170.8000121.1
711C28.5Very low28.9Very low104 Ų104133.4 Ų133.470%0.70378%0.782SS**  trans65.2105.4160.1-71.40000120.6
712L30.7Very low29Very low148 Ų148133 Ų13378%0.77579%0.79SS**  76.375.285.6-70.6-170.9000113
713F27.8Very low28.9Very low194 Ų194132.7 Ų132.785%0.85179%0.788SS**  74.999.682.9-79.9-64.4000116.3
714L30.4Very low28.7Very low156 Ų156132.6 Ų132.682%0.81778%0.781SS**  trans-149.2164.6142.8-144.476.5000109.7
715D26.2Very low28.5Very low140 Ų140127.8 Ų127.875%0.74978%0.778SS**  trans62173.4171-58.8-30000118.4
716C25.8Very low29.1Very low116 Ų116126.9 Ų126.978%0.78477%0.774SS**  -155.2178.8-120.459.30000117
717N25.2Very low28.9Very low146 Ų146126 Ų12678%0.78178%0.777SS**  trans94.3168.9157.7-154.112.1000118.2
718V28.5Very low28.3Very low113 Ų113129 Ų12969%0.68578%0.781SS**  trans93.388.5171.9-166.90000117.7
719N29.5Very low28.6Very low155 Ų155131 Ų13183%0.82978%0.783SS**  47.8122.6128.6-51.3-14.8000121.8
720G25.1Very low28Very low82 Ų82133.7 Ų133.785%0.84579%0.785SS**  trans175.2141.8160.700000111
721A25.2Very low27.9Very low97 Ų97133.2 Ų133.280%0.80278%0.784SS**  trans-132.3162.5-170.900000114
722S29.6Very low27.8Very low125 Ų125134.9 Ų134.987%0.87479%0.786SS**  trans77149.4-178.5-49.40000114.5
723S25.8Very low27.8Very low101 Ų101134.6 Ų134.671%0.70678%0.784SS**  cis-145.1155.815.8-178.90000113.9
724S27.5Very low28.1Very low104 Ų104133 Ų13373%0.72778%0.784SS**  trans52.2118.8148.853.90000121.4
725G24.6Very low27.9Very low72 Ų72129.4 Ų129.474%0.74278%0.784SS**  trans-82.4-144.7145.300000111
726P37.1Very low28.3Very low121 Ų121128.5 Ų128.579%0.78679%0.789SS**  cis-128.4174.4-0.142.4-29000113.8
727Q27Very low28.4Very low175 Ų175132.7 Ų132.782%0.81879%0.789SS**  -175.1132.2129.3-107.5169-10.700112.6
728E26.7Very low28.8Very low185 Ų185132.8 Ų132.886%0.86478%0.782SS**  trans-83135160.8-65.8178.711200109.4
729I28Very low29.2Very low151 Ų151134 Ų13477%0.77479%0.79SS**  trans-131.991.6161.5-56-179.6000108
730H28.1Very low29.4Very low172 Ų172132.8 Ų132.880%0.79678%0.783SS**  trans-108.5110.8160.5-92.6-76000109.5
731N28Very low30.3Very low141 Ų141138.2 Ų138.275%0.75479%0.787SS**  -167.4149.3127.8-102.1-47.8000113.5
732N27.3Very low30.9Very low139 Ų139142.5 Ų142.574%0.74379%0.787SS**  trans82.1127.1154.8-69.3-33.9000122.8
733I31.4Very low31.2Very low142 Ų142140 Ų14073%0.72878%0.782SS**  trans86.197.2146-61.6158.8000118.9
734N33.5Very low32Very low160 Ų160142.9 Ų142.986%0.85679%0.788SS**  trans44.294.4131-53.3-16.4000119.1
735G26.2Very low32.7Very low80 Ų80142.2 Ų142.283%0.82578%0.782SS**  trans-128.6103166.400000112.9R737G735-R737 PolarHBondContact O-N 3.46Å
736S33.3Very low33.9Very low122 Ų122146.7 Ų146.785%0.85379%0.789SS**  trans-65.1126.5168.31690000110.8
737R29.7Very low34.5Very low204 Ų204149.3 Ų149.377%0.7779%0.79SS**  trans-164.7125.4149.2-112.2169.6-171-149.93.7114.7G735G735-R737 PolarHBondContact O-N 3.46Å
738K33.3Very low36.2Very low147 Ų147147 Ų14764%0.63978%0.782SS**  trans53126138-64.9173.8-177.4-169.30119.3N740K738-N740 PolarHBondContact O-N 2.83Å
739T37.1Very low38.1Very low140 Ų140144.1 Ų144.186%0.85978%0.777SS**  trans-57.6100.1151.246.20000109.5E741T739-E741 PolarHBondContact O-N 2.96Å
740N32.7Very low40.2Very low129 Ų129140.2 Ų140.269%0.6976%0.761SS**  trans-80.2106.6175.3-65.6-32.9000108.7K738 K742K738-N740 PolarHBondContact O-N 2.83Å; N740-K742 VanDerWaalsContact C-N 3.31Å; N740-K742 PolarHBondContact O-N 3.44Å
741E44.8Very low42.7Very low195 Ų195135.9 Ų135.991%0.91175%0.747SS**  trans-67.190171.5-67.8176.8172.600109.5T739T739-E741 PolarHBondContact O-N 2.96Å
742K37.4Very low45.1Very low187 Ų187135.5 Ų135.581%0.81375%0.745SS**  trans-113.3132.7161.9-70-168.9173.5-172.30107.6N740N740-K742 VanDerWaalsContact C-N 3.31Å; N740-K742 PolarHBondContact O-N 3.44Å
743G34.9Very low47.8Very low74 Ų74135 Ų13576%0.76374%0.739SS**  trans-56.9147.1-171.900000112.6C745G743-C745 PolarHBondContact O-N 3.27Å
744L43.3Very low50.5Low160 Ų160133.1 Ų133.184%0.83873%0.727SS**  trans-60.2101178.2-65.5171.3000109.8L746L744-L746 HydrophobicContact CB-CD2 4.42Å; L744-L746 PolarHBondContact O-N 3.06Å
745C41.8Very low52.9Low90 Ų90128.2 Ų128.261%0.60870%0.7SS**  trans-73.891.1176.2-171.80000109.1G743 H747G743-C745 PolarHBondContact O-N 3.27Å; C745-H747 PolarHBondContact O-N 3.08Å
746L49.3Very low55.7Low167 Ų167126 Ų12687%0.87467%0.674SS**THydrogen-bonded Turntrans-71.222.5-178.3-61.8177.1000113.9L744L744-L746 HydrophobicContact CB-CD2 4.42Å; L744-L746 PolarHBondContact O-N 3.06Å
747H50.2Low58.1Low176 Ų176126.5 Ų126.582%0.81566%0.663SS**THydrogen-bonded Turntrans-130.423.8-177.6-153.2-74.7000113.3C745C745-H747 PolarHBondContact O-N 3.08Å
748I63.9Low61.1Low125 Ų125122.7 Ų122.764%0.64166%0.657SS**SBendtrans-118.5125.7162-56.7-178.7000107
749T66.4Low63.7Low126 Ų126122.8 Ų122.877%0.77365%0.654SS**PPolyproline II helixtrans-74.2120.4166.7-55.80000106.7T751T749-T751 PolarHBondContact O-N 3.36Å
750P72.1Confident65.7Low68 Ų68119.9 Ų119.944%0.44263%0.633SS.*PPolyproline II helixtrans-60137.3-177.824.9-33.6000110.1E754 I755P750-E754 HydrophobicContact CB-CB 4.45Å; P750-I755 HydrophobicContact CB-CG1 4.15Å; P750-I755 HydrophobicContact CG-CD1 4.24Å; P750-I755 HydrophobicContact CG-CG1 4.13Å; P750-I755 WeakPolarHBondContact O-CD1 3.42Å
751T79.9Confident68.3Low82 Ų82115.7 Ų115.750%0.50362%0.62SS.*PPolyproline II helixtrans-65149.1-178.4-41.90000109.5T749 E753 E754 I755T749-T751 PolarHBondContact O-N 3.36Å; T751-E753 HydrophobicContact CG2-CB 4.43Å; T751-E753 PolarHBondContact O-N 3.21Å; T751-E754 VanDerWaalsContact CB-OE2 3.29Å; T751-E754 WeakPolarHBondContact CB-OE2 3.27Å; T751-E754 PolarHBondContact N-OE2 2.9Å; T751-E754 WeakPolarHBondContact O-CB 3.39Å; T751-E754 PolarHBondContact O-N 2.88Å; T751-E754 PolarHBondContact OG1-OE2 2.95Å; T751-I755 WeakPolarHBondContact O-CG1 3.38Å; T751-I755 PolarHBondContact O-N 3.29Å
752D79.1Confident70.2Confident133 Ų133109.3 Ų109.371%0.71160%0.595SS**Hα-helixtrans-55.4-29.1178-72.7-37.7000112.5I755 A756D752-I755 PolarHBondContact O-N 3.44Å; D752-A756 VanDerWaalsContact O-CB 3.28Å; D752-A756 WeakPolarHBondContact O-CB 3.44Å; D752-A756 PolarHBondContact O-N 3.16Å
753E83.3Confident72.4Confident128 Ų128106.1 Ų106.160%0.59858%0.577SS**Hα-helixtrans-67.1-41.2173.2-145.564.6-143.300113.1T751 A756 Q757T751-E753 HydrophobicContact CG2-CB 4.43Å; T751-E753 PolarHBondContact O-N 3.21Å; E753-A756 PolarHBondContact O-N 3.27Å; E753-Q757 WeakPolarHBondContact O-CB 3.39Å; E753-Q757 VanDerWaalsContact O-CG 3.28Å; E753-Q757 WeakPolarHBondContact O-CG 3.48Å; E753-Q757 PolarHBondContact O-N 2.92Å
754E87.6Confident74.3Confident102 Ų102106 Ų10648%0.47757%0.565SS.*Hα-helixtrans-70.1-37.5176.3-61.5173.7104.400110.5P750 T751 L758P750-E754 HydrophobicContact CB-CB 4.45Å; T751-E754 VanDerWaalsContact CB-OE2 3.29Å; T751-E754 WeakPolarHBondContact CB-OE2 3.27Å; T751-E754 PolarHBondContact N-OE2 2.9Å; T751-E754 WeakPolarHBondContact O-CB 3.39Å; T751-E754 PolarHBondContact O-N 2.88Å; T751-E754 PolarHBondContact OG1-OE2 2.95Å; E754-L758 WeakPolarHBondContact O-CB 3.29Å; E754-L758 PolarHBondContact O-N 3.48Å
755I84.8Confident75.7Confident57 Ų57100.7 Ų100.729%0.29254%0.544SS..Hα-helixtrans-63.9-44.8172.2-64.9171.1000110P750 T751 D752 L758 W759P750-I755 HydrophobicContact CB-CG1 4.15Å; P750-I755 HydrophobicContact CG-CD1 4.24Å; P750-I755 HydrophobicContact CG-CG1 4.13Å; P750-I755 WeakPolarHBondContact O-CD1 3.42Å; T751-I755 WeakPolarHBondContact O-CG1 3.38Å; T751-I755 PolarHBondContact O-N 3.29Å; D752-I755 PolarHBondContact O-N 3.44Å; I755-L758 PolarHBondContact O-N 2.89Å; I755-W759 PolarHBondContact O-N 2.96Å
756A84.8Confident77Confident35 Ų35101 Ų10129%0.28954%0.54SS..Hα-helixtrans-61.1-49.917700000111.5D752 E753 L758 W759 D760D752-A756 VanDerWaalsContact O-CB 3.28Å; D752-A756 WeakPolarHBondContact O-CB 3.44Å; D752-A756 PolarHBondContact O-N 3.16Å; E753-A756 PolarHBondContact O-N 3.27Å; A756-L758 VanDerWaalsContact C-N 3.32Å; A756-L758 PolarHBondContact O-N 3.21Å; A756-W759 CarbonylContact O-C 3.6Å; A756-W759 PolarHBondContact O-N 2.89Å; A756-W759 VanDerWaalsContact O-N 3.08Å; A756-D760 PolarHBondContact O-N 3.33Å
757Q84.6Confident77.4Confident131 Ų13199.6 Ų99.661%0.61253%0.533SS*.Hα-helixtrans-59.3-40.1176.7-72.1174.432.900112.5E753 D760 G761E753-Q757 WeakPolarHBondContact O-CB 3.39Å; E753-Q757 VanDerWaalsContact O-CG 3.28Å; E753-Q757 WeakPolarHBondContact O-CG 3.48Å; E753-Q757 PolarHBondContact O-N 2.92Å; Q757-D760 PolarHBondContact O-N 3.5Å; Q757-G761 PolarHBondContact O-N 2.85Å
758L91.3Very high77.7Confident125 Ų12595.7 Ų95.765%0.65452%0.521SS*.Hα-helixtrans-61.8-44.5173.8-175.967.9000111.4E754 I755 A756 G761 V762E754-L758 WeakPolarHBondContact O-CB 3.29Å; E754-L758 PolarHBondContact O-N 3.48Å; I755-L758 PolarHBondContact O-N 2.89Å; A756-L758 VanDerWaalsContact C-N 3.32Å; A756-L758 PolarHBondContact O-N 3.21Å; L758-G761 PolarHBondContact O-N 2.86Å; L758-V762 WeakPolarHBondContact O-CG2 3.5Å; L758-V762 PolarHBondContact O-N 3.01Å
759W87.7Confident77.2Confident149 Ų14997.1 Ų97.156%0.56452%0.523SS*.Hα-helixtrans-68.3-33.2176.5-80.3110.8000113.3I755 A756 V762 R763I755-W759 PolarHBondContact O-N 2.96Å; A756-W759 CarbonylContact O-C 3.6Å; A756-W759 PolarHBondContact O-N 2.89Å; A756-W759 VanDerWaalsContact O-N 3.08Å; W759-V762 HydrophobicContact CE3-CB 4.49Å; W759-V762 HydrophobicContact CE3-CG1 4.36Å; W759-V762 HydrophobicContact CZ3-CG1 4.48Å; W759-V762 PolarHBondContact O-N 3.35Å; W759-R763 WeakPolarHBondContact O-CB 3.3Å; W759-R763 VanDerWaalsContact O-CG 3.29Å; W759-R763 WeakPolarHBondContact O-CG 3.36Å; W759-R763 PolarHBondContact O-N 3.1Å
760D81Confident76.5Confident78 Ų7898.8 Ų98.842%0.41753%0.527SS..Hα-helixtrans-72.3-34.3173.4-80.2-50.6000112.8A756 Q757 V762 R763 S764A756-D760 PolarHBondContact O-N 3.33Å; Q757-D760 PolarHBondContact O-N 3.5Å; D760-V762 VanDerWaalsContact C-N 3.33Å; D760-R763 PolarHBondContact O-N 3.33Å; D760-R763 IonicContact OD1-CZ 3.22Å; D760-R763 IonicContact OD1-NE 2.74Å; D760-R763 PolarHBondContact OD1-NE 3.28Å; D760-R763 IonicContact OD1-NH2 2.89Å; D760-R763 PolarHBondContact OD1-NH2 3.19Å; D760-R763 IonicContact OD2-CZ 3.87Å; D760-R763 IonicContact OD2-NH2 2.83Å; D760-R763 PolarHBondContact OD2-NH2 3.17Å; D760-S764 VanDerWaalsContact O-CB 3.25Å; D760-S764 WeakPolarHBondContact O-CB 3.38Å; D760-S764 PolarHBondContact O-N 3.39Å; D760-S764 PolarHBondContact O-OG 2.92Å
761G86.3Confident75Confident42 Ų4298.9 Ų98.943%0.43353%0.533SS..Hα-helixtrans-58.1-45.5166.200000111.7Q757 L758 S764 A765Q757-G761 PolarHBondContact O-N 2.85Å; L758-G761 PolarHBondContact O-N 2.86Å; G761-S764 PolarHBondContact O-N 3.23Å; G761-A765 WeakPolarHBondContact O-CB 3.32Å; G761-A765 PolarHBondContact O-N 2.74Å
762V85.3Confident72.9Confident61 Ų61104 Ų10437%0.3755%0.549SS..Hα-helixtrans-65.2-46.5175.7170.50000112L758 W759 D760 S764 A765 L766L758-V762 WeakPolarHBondContact O-CG2 3.5Å; L758-V762 PolarHBondContact O-N 3.01Å; W759-V762 HydrophobicContact CE3-CB 4.49Å; W759-V762 HydrophobicContact CE3-CG1 4.36Å; W759-V762 HydrophobicContact CZ3-CG1 4.48Å; W759-V762 PolarHBondContact O-N 3.35Å; D760-V762 VanDerWaalsContact C-N 3.33Å; V762-S764 VanDerWaalsContact C-N 3.33Å; V762-S764 PolarHBondContact O-N 3.34Å; V762-A765 PolarHBondContact O-N 3.42Å; V762-L766 HydrophobicContact CG1-CD1 3.89Å; V762-L766 VanDerWaalsContact O-CG 3.3Å; V762-L766 WeakPolarHBondContact O-CG 3.32Å; V762-L766 PolarHBondContact O-N 2.88Å
763R83Confident70.9Confident119 Ų119104 Ų10445%0.44956%0.556SS.*Hα-helixtrans-57.8-45176.4-75.2-178.1-77.8-103.88.4111.2W759 D760 L766 N767W759-R763 WeakPolarHBondContact O-CB 3.3Å; W759-R763 VanDerWaalsContact O-CG 3.29Å; W759-R763 WeakPolarHBondContact O-CG 3.36Å; W759-R763 PolarHBondContact O-N 3.1Å; D760-R763 PolarHBondContact O-N 3.33Å; D760-R763 IonicContact OD1-CZ 3.22Å; D760-R763 IonicContact OD1-NE 2.74Å; D760-R763 PolarHBondContact OD1-NE 3.28Å; D760-R763 IonicContact OD1-NH2 2.89Å; D760-R763 PolarHBondContact OD1-NH2 3.19Å; D760-R763 IonicContact OD2-CZ 3.87Å; D760-R763 IonicContact OD2-NH2 2.83Å; D760-R763 PolarHBondContact OD2-NH2 3.17Å; R763-L766 PolarHBondContact O-N 3Å; R763-N767 PolarHBondContact O-N 3.3Å
764S74.9Confident68.5Low71 Ų71103.9 Ų103.950%0.49756%0.564SS.*Hα-helixtrans-66.2-39.9177.4-56.50000112.7D760 G761 V762 L766 T768D760-S764 VanDerWaalsContact O-CB 3.25Å; D760-S764 WeakPolarHBondContact O-CB 3.38Å; D760-S764 PolarHBondContact O-N 3.39Å; D760-S764 PolarHBondContact O-OG 2.92Å; G761-S764 PolarHBondContact O-N 3.23Å; V762-S764 VanDerWaalsContact C-N 3.33Å; V762-S764 PolarHBondContact O-N 3.34Å; S764-L766 PolarHBondContact O-N 3.32Å; S764-T768 WeakPolarHBondContact O-CG2 3.44Å; S764-T768 PolarHBondContact O-N 3.49Å; S764-T768 PolarHBondContact O-OG1 2.98Å
765A73.6Confident66.2Low49 Ų49106.9 Ų106.941%0.40558%0.582SS.*Hα-helixtrans-74.9-9.3177.500000114.3G761 V762 T768 K769G761-A765 WeakPolarHBondContact O-CB 3.32Å; G761-A765 PolarHBondContact O-N 2.74Å; V762-A765 PolarHBondContact O-N 3.42Å; A765-T768 WeakPolarHBondContact CA-OG1 3.4Å; A765-K769 WeakPolarHBondContact O-CE 3.36Å
766L68.3Low63.6Low98 Ų98112.6 Ų112.651%0.51361%0.608SS.*Hα-helixtrans-94.2-49.2170.6-70170.3000110.7V762 R763 S764 T768 K769V762-L766 HydrophobicContact CG1-CD1 3.89Å; V762-L766 VanDerWaalsContact O-CG 3.3Å; V762-L766 WeakPolarHBondContact O-CG 3.32Å; V762-L766 PolarHBondContact O-N 2.88Å; R763-L766 PolarHBondContact O-N 3Å; S764-L766 PolarHBondContact O-N 3.32Å; L766-T768 PolarHBondContact O-N 3.35Å; L766-T768 VanDerWaalsContact O-N 3.08Å; L766-K769 PolarHBondContact O-N 2.96Å; L766-K769 VanDerWaalsContact O-N 3.09Å
767N58.6Low61.3Low137 Ų137119.9 Ų119.973%0.73363%0.633SS**Hα-helixtrans-62.4-18.3179.2-72.8-0.5000114.1R763R763-N767 PolarHBondContact O-N 3.3Å
768T55.6Low58.8Low94 Ų94123 Ų12358%0.57765%0.647SS**THydrogen-bonded Turntrans-84-5.5176.941.40000114.7S764 A765 L766S764-T768 WeakPolarHBondContact O-CG2 3.44Å; S764-T768 PolarHBondContact O-N 3.49Å; S764-T768 PolarHBondContact O-OG1 2.98Å; A765-T768 WeakPolarHBondContact CA-OG1 3.4Å; L766-T768 PolarHBondContact O-N 3.35Å; L766-T768 VanDerWaalsContact O-N 3.08Å
769K54Low55.7Low155 Ų155121.9 Ų121.967%0.67466%0.656SS**SBendtrans-86.8-21.7-173.7-72.4176.7178.11670115.7A765 L766A765-K769 WeakPolarHBondContact O-CE 3.36Å; L766-K769 PolarHBondContact O-N 2.96Å; L766-K769 VanDerWaalsContact O-N 3.09Å
770D50.5Low53Low160 Ų160122.5 Ų122.586%0.85667%0.67SS**SBendtrans-98.3-1.7176.3-67.9-47.3000113.4
771A40.7Very low50.5Low70 Ų70127.1 Ų127.158%0.57969%0.689SS**  trans-86.6111.9176.400000111.7
772K35.5Very low47.6Very low189 Ų189129.1 Ų129.182%0.82270%0.696SS**  trans-63.6135.1169.2-68.2174-178.2171.70109.7V774K772-V774 PolarHBondContact O-N 2.9Å
773P37.8Very low45Very low133 Ų133136.3 Ų136.386%0.86472%0.717SS**  trans-71.7101.7-175.728.2-34.8000111.6
774V34Very low42.3Very low126 Ų126137.4 Ų137.476%0.76473%0.727SS**  trans-85.7118.2167.9177.40000108.7K772 Q776K772-V774 PolarHBondContact O-N 2.9Å; V774-Q776 PolarHBondContact O-N 3.17Å; V774-Q776 VanDerWaalsContact O-N 3.08Å
775L38.6Very low40.1Very low166 Ų166139 Ų13987%0.86973%0.733SS**  trans-69.399.4170.5-88.9164.9000110.1
776Q30.4Very low37.9Very low177 Ų177146.8 Ų146.883%0.82775%0.754SS**  trans-112.797.7165.8-165.9166.111.300109.6V774V774-Q776 PolarHBondContact O-N 3.17Å; V774-Q776 VanDerWaalsContact O-N 3.08Å
777K35.6Very low35.9Very low188 Ų188153.2 Ų153.282%0.81777%0.771SS**  trans-68.2138.1166.8-69.7-177.1176.1-177.50108.7
778Q32.5Very low34.4Very low195 Ų195155.6 Ų155.691%0.91178%0.775SS**  trans-65.5140.3163.9-71.1173.5-50.100109.8
779A26.1Very low33.5Very low102 Ų102156.4 Ų156.484%0.84378%0.782SS**  trans-113148.6149.200000106.9
780L31.4Very low32Very low162 Ų162158.6 Ų158.685%0.84879%0.792SS**  trans-90.7179.4-172.2-158.474.9000110.8
781E27.7Very low31Very low176 Ų176154.6 Ų154.682%0.82278%0.781SS**  trans82.5154160.4-57.3-167.4138.600119
782S26.5Very low30.2Very low84 Ų84158.8 Ų158.859%0.58779%0.788SS**  cis-172.3122.2-33-177.50000109.5
783R29.1Very low29.9Very low212 Ų212157.9 Ų157.980%0.879%0.787SS**  trans60.3173.7159.1-71.1172.7175.8-162.4-1.6114.3
784H26.8Very low29.4Very low141 Ų141156 Ų15665%0.65378%0.777SS**  cis-149.3127.7-23.1-108.4-30.1000104.2
785V28.6Very low29.2Very low105 Ų105161.6 Ų161.664%0.63678%0.784SS**  115.7149.792.5150.90000114.3
786Y27.4Very low28.9Very low213 Ų213162.4 Ų162.484%0.83578%0.784SS**  trans81.1135.2164.1-79.6-45.4000123.7
787R26Very low29.4Very low233 Ų233158.9 Ų158.988%0.87978%0.776SS**  trans73.796153.1-72.8-175.2-178.5-147.60.3121.4
788K26.9Very low29.3Very low186 Ų186156.2 Ų156.281%0.80978%0.778SS**  -45.3158.2124.1-87.7-178.1177.6-179.60111.2
789P37Very low29Very low111 Ų111153.2 Ų153.272%0.72177%0.773SS**  cis-138.3-179.539.823.33000117.5
790F22.4Very low29.2Very low201 Ų201153.4 Ų153.488%0.88278%0.775SS**  trans9.3158.1145.7-67-101.5000120.5
791A29.6Very low29Very low76 Ų76149.4 Ų149.463%0.62877%0.772SS**  cis-151.6145.28.200000108.7
792E25.3Very low29.1Very low158 Ų158146 Ų14674%0.73877%0.768SS**  82.6156.693.9-154.8178.9-13600114.4
793H28.7Very low29.4Very low171 Ų171152 Ų15279%0.79278%0.777SS**  trans70.1158.8-179.2-45.5-21.2000115.6
794S27.1Very low29.5Very low94 Ų94150.9 Ų150.966%0.65777%0.773SS**  cis-166.1138.5-34.5-177.40000109.9
795R30.6Very low29.5Very low242 Ų242152.2 Ų152.291%0.91378%0.778SS**  trans66.8148.6165.1-67167.2-173.1-153.50.2119.7
796Q30.7Very low29.4Very low183 Ų183153.6 Ų153.686%0.85578%0.781SS**  trans-85.3-179.6166.8-57.5171.6-54.300110.2
797P40.8Very low29.5Very low104 Ų104151.2 Ų151.268%0.67578%0.777SS**  cis-124.2-163.8-48.135.4-19.4000109.8
798P34.6Very low29.4Very low132 Ų132145 Ų14586%0.85777%0.77SS**  -129.7162.8127.336.6-30.2000114.2
799V26.5Very low29.4Very low132 Ų132141.2 Ų141.280%0.877%0.767SS**  trans-121.2152.3-179.6169.80000109.5
800A30.4Very low28.9Very low106 Ų106144.6 Ų144.688%0.87677%0.773SS**  trans71.3146.6175.100000117
801G27.3Very low30Very low77 Ų77140.2 Ų140.279%0.79477%0.765SS**  trans158.249.3-175.500000114.2
802S28.7Very low29.8Very low106 Ų106141.4 Ų141.474%0.74176%0.764SS**  trans-64.5161.2-170.5-173.30000115.7
803R32.7Very low30Very low208 Ų208142 Ų14279%0.78577%0.765SS**  trans98.9122.3175.5-57.8162.6-162.7-111.91.5112.7
804R31.9Very low30Very low189 Ų189141.5 Ų141.571%0.71376%0.762SS**  65.4128.569.6-72-168.4-85.1169.1-9.3111.4
805F26.2Very low29.8Very low170 Ų170144.1 Ų144.175%0.74677%0.769SS**  cis-155.2-164.49.5-121.7-39.5000112.5
806L27.1Very low29.7Very low134 Ų134138.7 Ų138.770%0.70276%0.763SS**  trans-53.7173.7172.9-56.1149.5000112.5
807Q28.6Very low29.5Very low162 Ų162138 Ų13876%0.75776%0.76SS**  cis-171.8166.125.2-152.5158-5300112.3
808S24.3Very low28.8Very low103 Ų103139.2 Ų139.272%0.7276%0.76SS**  trans69.5162.8150.8-1300000117.4
809S26.5Very low28.5Very low107 Ų107140.4 Ų140.475%0.74876%0.759SS**  cis-142.9168.21.4-63.10000111.9
810Q26.6Very low28.5Very low181 Ų181145.2 Ų145.285%0.84676%0.763SS**  trans-75.4-166.9157.3-46.3175.9-74.400110.2
811P46.1Very low28.8Very low110 Ų110145.8 Ų145.871%0.71476%0.758SS**  cis-123-163.2-14.930.2-7.9000112.4
812T25.1Very low28.6Very low101 Ų101145.1 Ų145.162%0.6275%0.751SS**  168.6130.286.9-66.40000112.8
813K30.2Very low29.3Very low171 Ų171146 Ų14674%0.74375%0.754SS**  trans54141.5149.4-65.9167.9-172.6177.80124.2
814Q27.5Very low29.1Very low159 Ų159147.1 Ų147.174%0.74376%0.758SS**  trans56.9130.8130.1-62.5160.9-3300120.1
815N23.8Very low28.8Very low149 Ų149145.2 Ų145.280%0.79776%0.762SS**  cis89.4142.540-857.3000115.9
816T28.9Very low28.9Very low128 Ų128147 Ų14779%0.78576%0.764SS**  trans70.1143164.728.60000117.8
817E25.2Very low28.8Very low169 Ų169146.6 Ų146.679%0.7976%0.762SS**  cis-113-124-4-68.2-159.685.700112
818L26.8Very low28.6Very low129 Ų129144.6 Ų144.668%0.67576%0.761SS**  cis-160.9152-4.6-136.7159.4000111.7
819N28.8Very low28.6Very low158 Ų158145.9 Ų145.985%0.84577%0.765SS**  trans79.8153.8159-91.8-24.1000123.3
820R25.5Very low28.4Very low232 Ų232145.3 Ų145.388%0.87576%0.761SS**  trans-104.7-178.4-169.7-110.3-168.5178.4-175.83111.5
821P37.4Very low28.5Very low119 Ų119147.3 Ų147.377%0.77376%0.76SS**  cis-131.7-177.915.434.3-12000117.2
822G22.2Very low27.8Very low63 Ų63146.9 Ų146.965%0.64975%0.752SS**  trans-92.5-172169.700000113.4
823P44.8Very low28.3Very low125 Ų125150.2 Ų150.281%0.81276%0.761SS**  -123.7166.966.43.521.2000114.8
824R27.3Very low28.2Very low230 Ų230144.8 Ų144.887%0.86875%0.754SS**  41.5139.689.8-75.7-173.6180-174.50114.9
825N25.8Very low28.2Very low149 Ų149146.8 Ų146.880%0.79776%0.76SS**  cis-146.7-167.231.8-133.30.7000115.4
826R27.3Very low28.8Very low209 Ų209146 Ų14679%0.78975%0.752SS**  trans-104.3146.4-166.6-88.2-179.9171.4168.4-4.9115.9
827N25.9Very low28.9Very low124 Ų124150.6 Ų150.666%0.66376%0.755SS**  trans61155.1132-6010.8000124
828T25.4Very low29.1Very low120 Ų120146.9 Ų146.974%0.73675%0.753SS**  trans77.9124.4137.137.90000123.6
829V23.3Very low29.2Very low130 Ų130144.6 Ų144.679%0.78875%0.753SS**  90.3141.8128.7165.20000120.9
830S23.2Very low29.3Very low95 Ų95145.3 Ų145.366%0.66475%0.751SS**  trans66.2133.7172-106.90000117.5
831R28.5Very low29.2Very low223 Ų223143.5 Ų143.584%0.84275%0.75SS**  cis68.5122.222.8-162.9-154173.1158.60.4114.2
832N31.4Very low29.6Very low101 Ų101142.8 Ų142.854%0.5475%0.745SS.*  trans144.7149.9151.9-78.913000110
833E35.6Very low29.9Very low171 Ų171146.8 Ų146.880%0.79976%0.757SS**  cis-160.3175.1-6.7-123.2154.6179.500112.8
834G26.9Very low29.1Very low58 Ų58144.6 Ų144.660%0.59875%0.749SS**  trans124.5125.4163.100000114.3
835F28.7Very low29.1Very low201 Ų201142.2 Ų142.288%0.88275%0.748SS**  cis-148.1-178.2-6.6-104.3-78.5000111.1
836E34.9Very low29.2Very low133 Ų133141.6 Ų141.662%0.62175%0.749SS**  trans-56174.5-174.8-58.2174.2-175.400115.9
837R31Very low29Very low223 Ų223141.8 Ų141.884%0.84275%0.751SS**  cis-159.4176.330.4-159.8166.6-85.9-174.1-7.3114.2
838A29.5Very low30.5Very low92 Ų92140.6 Ų140.676%0.7675%0.751SS**  trans-68.1-177.4-170.800000116.6
839A29.5Very low30.8Very low81 Ų81141.2 Ų141.267%0.66975%0.749SS**  cis-163.7162.320.200000116.7
840Q30.5Very low31Very low172 Ų172140.7 Ų140.780%0.80474%0.742SS**  trans57.4114.7144.5-66167.89.100124.9
841F25.1Very low31.2Very low194 Ų194144.4 Ų144.485%0.85175%0.747SS**  40.9166122.3-64.4-58.6000124.9
842P44.8Very low31.2Very low105 Ų105140.8 Ų140.868%0.68274%0.744SS**  cis-143-168.2-36.241.5-22.4000116.2
843V29Very low31.2Very low146 Ų146144.4 Ų144.489%0.88575%0.754SS**  trans74.2153.7162.51680000116.6
844A27.8Very low30.9Very low79 Ų79143.4 Ų143.465%0.65375%0.75SS**  cis-126.9-168.84.900000111.3
845E27.4Very low30.9Very low180 Ų180146.4 Ų146.484%0.84175%0.752SS**  cis76.114814.7-49.6-157.178.100117.8
846V28.3Very low30.9Very low137 Ų137145.7 Ų145.783%0.8375%0.752SS**  cis-133.1163.716.8176.30000113
847Y23.2Very low31.9Very low212 Ų212144.4 Ų144.483%0.83175%0.754SS**  trans-73.4-171.2174.5-87-72.8000115.8
848P56.1Low31.5Very low100 Ų100143.1 Ų143.165%0.64976%0.761SS**  cis-138.3-176.7-35.435.9-16.4000115.7
849N31.1Very low31.5Very low132 Ų132142.9 Ų142.971%0.70676%0.759SS**  trans70.5132.2140.4-83.333000125.9
850D28.5Very low31.5Very low120 Ų120147.7 Ų147.764%0.64277%0.767SS**  92.3139.5124.9-79.1-31.4000127
851F27.3Very low31.5Very low173 Ų173147.5 Ų147.576%0.75977%0.77SS**  trans67.2135145.9-80.5-59000125.9
852L28.5Very low31.9Very low147 Ų147146.6 Ų146.677%0.7777%0.768SS**  trans89.7145.1138.4-83167.8000123
853K31.4Very low31.1Very low177 Ų177149.7 Ų149.777%0.7778%0.776SS**  trans-67.1172.5170.7-45.7162.3176.7169.30108.8
854Q29.7Very low31.4Very low150 Ų150148.8 Ų148.870%0.70177%0.773SS**  179.8172.752.9-139.5-179.2-60.600112.2
855N27.7Very low31.9Very low121 Ų121153.4 Ų153.465%0.64778%0.781SS**  trans63100.8149.8-61.3-19.1000123
856Q27.2Very low31.9Very low186 Ų186156 Ų15687%0.86978%0.783SS**  63.2-173.7107.7-123.5-1673000119.4
857P56.5Low32.1Very low105 Ų105154 Ų15468%0.68277%0.771SS**  -122.7166.9-120.542.4-26.2000116.2
858M23.2Very low32.6Very low197 Ų197153.1 Ų153.197%0.9777%0.774SS**  trans-150.6174.6156.3-130.3178.3-179.300111.8
859A29.7Very low31.8Very low87 Ų87157 Ų15772%0.71978%0.784SS**  trans-137.9174.6-16200000113.8
860Q29.5Very low32.3Very low182 Ų182153.6 Ų153.685%0.8578%0.779SS**  trans78.8124.1153.2-157.7176.31.500118.1
861I29.6Very low33.2Very low167 Ų167156.1 Ų156.186%0.85679%0.791SS**  177.1161.5122.3-89.4162.7000110.2
862Q32.9Very low34.4Very low176 Ų176154.4 Ų154.482%0.82279%0.79SS**  trans-77.4164.1-165.8-153.577.91.900115
863M29.1Very low35.3Very low169 Ų169155.7 Ų155.783%0.83380%0.798SS**  trans-55.9163.4174.7-58.1-65.9-140.700115.1
864P35.4Very low37Very low128 Ų128150.5 Ų150.583%0.83178%0.778SS**  -127.3165.9106.138.3-34.5000114.6
865E38.1Very low39.4Very low176 Ų176146.4 Ų146.482%0.82277%0.766SS**  trans-95.1135.3-168.1179.6-176.9174.200113.9
866R26.6Very low41.7Very low233 Ų233147 Ų14788%0.87977%0.768SS**  trans-159.9110.9141.3-137.3-176.6-63.4167.21113.7
867V33.5Very low43.9Very low95 Ų95143 Ų14358%0.57675%0.75SS**  trans13.8106.6151.3-173.10000117.4E869V867-E869 HydrophobicContact CG1-CB 4.23Å; V867-E869 HydrophobicContact CG1-CG 4.04Å
868Q32Very low45.3Very low194 Ų194142.5 Ų142.591%0.90774%0.738SS**  trans-120.683.1138.6-78.7-166.8-12.300108.4G870Q868-G870 PolarHBondContact O-N 3.22Å
869E40Very low48.4Very low183 Ų183136.2 Ų136.286%0.85571%0.708SS**  trans-71.6122.4166.4-78.8177.5133.600109.6V867V867-E869 HydrophobicContact CG1-CB 4.23Å; V867-E869 HydrophobicContact CG1-CG 4.04Å
870G42.7Very low51.2Low59 Ų59136.9 Ų136.961%0.60870%0.695SS**SBendtrans136.2123.6176.500000113Q868Q868-G870 PolarHBondContact O-N 3.22Å
871I47.1Very low54Low173 Ų173132.3 Ų132.389%0.88768%0.676SS**SBendtrans62.956.7166.5-33.4169.6000115.1
872N52.4Low56.8Low138 Ų138128.9 Ų128.974%0.73866%0.657SS**  trans-153.117.1159.7-106.7-31.9000116.7L874N872-L874 PolarHBondContact O-N 3.4Å
873N47.8Very low59.4Low173 Ų173126.4 Ų126.493%0.92565%0.649SS**  trans-81.254176.6-71.6-7.4000112.6
874L66.9Low62.3Low69 Ų69121.6 Ų121.636%0.36163%0.632SS.*  trans-84134.7167.1-69.1177000109.8N872 E878 N879 M882N872-L874 PolarHBondContact O-N 3.4Å; L874-E878 HydrophobicContact CB-CB 4.19Å; L874-E878 HydrophobicContact CD2-CB 4.22Å; L874-N879 PolarHBondContact O-ND2 3.07Å; L874-M882 HydrophobicContact CD1-SD 3.58Å; L874-M882 VanDerWaalsContact CD1-SD 3.58Å
875S78.8Confident64.9Low64 Ų64119.9 Ų119.945%0.44862%0.615SS.*  trans-57.3154.6173178.60000111.6E877 E878 N879S875-E877 PolarHBondContact O-N 3.43Å; S875-E877 VanDerWaalsContact O-N 3.12Å; S875-E877 PolarHBondContact OG-N 3.37Å; S875-E878 WeakPolarHBondContact CB-OE2 3.3Å; S875-E878 PolarHBondContact N-OE2 3Å; S875-E878 PolarHBondContact O-N 2.87Å; S875-N879 PolarHBondContact O-N 3.41Å; S875-N879 PolarHBondContact O-ND2 3.5Å
876L77.4Confident67.3Low133 Ų133115.7 Ų115.770%0.69660%0.599SS**Hα-helixtrans-50.7-36.4171.3-171.588.9000111.4K880L876-K880 WeakPolarHBondContact O-CG 3.33Å; L876-K880 PolarHBondContact O-N 2.86Å
877E73.4Confident70.3Confident102 Ų102112.6 Ų112.648%0.47759%0.587SS.*Hα-helixtrans-76.5-34.5179.2-155.960.8-15300112.7S875 K880 I881S875-E877 PolarHBondContact O-N 3.43Å; S875-E877 VanDerWaalsContact O-N 3.12Å; S875-E877 PolarHBondContact OG-N 3.37Å; E877-K880 WeakPolarHBondContact O-CB 3.44Å; E877-K880 PolarHBondContact O-N 3.15Å; E877-K880 WeakPolarHBondContact OE2-CD 3.46Å; E877-K880 WeakPolarHBondContact OE2-CE 3.46Å; E877-K880 IonicContact OE2-NZ 3.64Å; E877-K880 PolarHBondContact OE2-NZ 3.26Å; E877-I881 WeakPolarHBondContact O-CD1 3.48Å; E877-I881 VanDerWaalsContact O-CG1 3.24Å; E877-I881 WeakPolarHBondContact O-CG1 3.32Å; E877-I881 PolarHBondContact O-N 3.47Å
878E84.7Confident73.1Confident94 Ų94112.7 Ų112.744%0.43958%0.584SS.*Hα-helixtrans-69.1-38176.4-67.8170.1137.800111.1L874 S875 I881 M882L874-E878 HydrophobicContact CB-CB 4.19Å; L874-E878 HydrophobicContact CD2-CB 4.22Å; S875-E878 WeakPolarHBondContact CB-OE2 3.3Å; S875-E878 PolarHBondContact N-OE2 3Å; S875-E878 PolarHBondContact O-N 2.87Å; E878-I881 WeakPolarHBondContact O-CB 3.49Å; E878-I881 PolarHBondContact O-N 2.84Å; E878-M882 PolarHBondContact O-N 3.13Å
879N88.3Confident75.8Confident65 Ų65107.8 Ų107.835%0.34856%0.564SS.*Hα-helixtrans-62.9-41.6170.7-75.5-62.7000112.3L874 S875 I881 M882 L883L874-N879 PolarHBondContact O-ND2 3.07Å; S875-N879 PolarHBondContact O-N 3.41Å; S875-N879 PolarHBondContact O-ND2 3.5Å; N879-I881 VanDerWaalsContact C-N 3.34Å; N879-M882 PolarHBondContact O-N 3.27Å; N879-L883 WeakPolarHBondContact O-CB 3.45Å; N879-L883 WeakPolarHBondContact O-CG 3.36Å; N879-L883 PolarHBondContact O-N 2.9Å
880K88.3Confident78Confident102 Ų102105.2 Ų105.244%0.44355%0.552SS.*Hα-helixtrans-62.1-41171.4-71175-150.7161.60111.9L876 E877 L883 S884L876-K880 WeakPolarHBondContact O-CG 3.33Å; L876-K880 PolarHBondContact O-N 2.86Å; E877-K880 WeakPolarHBondContact O-CB 3.44Å; E877-K880 PolarHBondContact O-N 3.15Å; E877-K880 WeakPolarHBondContact OE2-CD 3.46Å; E877-K880 WeakPolarHBondContact OE2-CE 3.46Å; E877-K880 IonicContact OE2-NZ 3.64Å; E877-K880 PolarHBondContact OE2-NZ 3.26Å; K880-L883 PolarHBondContact O-N 3.31Å; K880-S884 WeakPolarHBondContact O-CB 3.09Å; K880-S884 PolarHBondContact O-N 3.37Å
881I89.3Confident80.2Confident86 Ų86107.1 Ų107.144%0.44154%0.544SS..Hα-helixtrans-61.5-47.5177.3-71.8162.4000110.1E877 E878 N879 S884 L885E877-I881 WeakPolarHBondContact O-CD1 3.48Å; E877-I881 VanDerWaalsContact O-CG1 3.24Å; E877-I881 WeakPolarHBondContact O-CG1 3.32Å; E877-I881 PolarHBondContact O-N 3.47Å; E878-I881 WeakPolarHBondContact O-CB 3.49Å; E878-I881 PolarHBondContact O-N 2.84Å; N879-I881 VanDerWaalsContact C-N 3.34Å; I881-S884 PolarHBondContact O-N 3.19Å; I881-S884 PolarHBondContact O-OG 3.45Å; I881-L885 HydrophobicContact CG2-CD1 3.91Å; I881-L885 HydrophobicContact CG2-CG 4.49Å; I881-L885 WeakPolarHBondContact O-CG 3.45Å; I881-L885 PolarHBondContact O-N 2.89Å
882M89.1Confident81.8Confident95 Ų95104 Ų10447%0.46853%0.529SS..Hα-helixtrans-58.6-51174.6-80.8-173.457.600112.5L874 E878 N879 S884 L885 D886L874-M882 HydrophobicContact CD1-SD 3.58Å; L874-M882 VanDerWaalsContact CD1-SD 3.58Å; E878-M882 PolarHBondContact O-N 3.13Å; N879-M882 PolarHBondContact O-N 3.27Å; M882-S884 PolarHBondContact O-N 2.76Å; M882-L885 WeakPolarHBondContact O-CB 3.35Å; M882-L885 PolarHBondContact O-N 3.04Å; M882-D886 PolarHBondContact O-N 3.48Å
883L86.4Confident83Confident124 Ų124102.7 Ų102.765%0.64952%0.518SS*.Hα-helixtrans-59.7-33177.1-69.4169.4000112.5N879 K880 R887N879-L883 WeakPolarHBondContact O-CB 3.45Å; N879-L883 WeakPolarHBondContact O-CG 3.36Å; N879-L883 PolarHBondContact O-N 2.9Å; K880-L883 PolarHBondContact O-N 3.31Å; L883-R887 VanDerWaalsContact O-CB 3.3Å; L883-R887 WeakPolarHBondContact O-CB 3.34Å; L883-R887 PolarHBondContact O-N 3.03Å; L883-R887 VanDerWaalsContact O-N 3.11Å
884S89.4Confident84.1Confident68 Ų6897.5 Ų97.548%0.47650%0.495SS..Hα-helixtrans-70.2-38.7173.983.70000112.6K880 I881 M882 L888K880-S884 WeakPolarHBondContact O-CB 3.09Å; K880-S884 PolarHBondContact O-N 3.37Å; I881-S884 PolarHBondContact O-N 3.19Å; I881-S884 PolarHBondContact O-OG 3.45Å; M882-S884 PolarHBondContact O-N 2.76Å; S884-L888 WeakPolarHBondContact O-CB 3.45Å; S884-L888 PolarHBondContact O-N 3.02Å
885L90.4Very high84.3Confident91 Ų9199.4 Ų99.448%0.47651%0.505SS..Hα-helixtrans-69.5-43177.9-74.4167.7000111.3I881 M882 L888 N889I881-L885 HydrophobicContact CG2-CD1 3.91Å; I881-L885 HydrophobicContact CG2-CG 4.49Å; I881-L885 WeakPolarHBondContact O-CG 3.45Å; I881-L885 PolarHBondContact O-N 2.89Å; M882-L885 WeakPolarHBondContact O-CB 3.35Å; M882-L885 PolarHBondContact O-N 3.04Å; L885-L888 PolarHBondContact O-N 3.34Å; L885-N889 WeakPolarHBondContact O-CB 3.48Å; L885-N889 VanDerWaalsContact O-CG 3.26Å; L885-N889 PolarHBondContact O-N 3.24Å; L885-N889 PolarHBondContact O-ND2 3.38Å
886D88.5Confident83.8Confident89 Ų89104 Ų10448%0.47652%0.517SS..Hα-helixtrans-65.4-41.5176.2-73.9-29.6000111.7M882 L888 N889 H890M882-D886 PolarHBondContact O-N 3.48Å; D886-L888 VanDerWaalsContact C-N 3.31Å; D886-L888 PolarHBondContact O-N 3.44Å; D886-N889 PolarHBondContact O-N 2.81Å; D886-H890 WeakPolarHBondContact O-CB 3.44Å; D886-H890 PolarHBondContact O-N 3.49Å
887R90.1Very high83Confident168 Ų168101 Ų10163%0.63450%0.504SS*.Hα-helixtrans-60.1-40.4172.1-174.2174.8-177.5-88.65.7112L883 H890 Q891L883-R887 VanDerWaalsContact O-CB 3.3Å; L883-R887 WeakPolarHBondContact O-CB 3.34Å; L883-R887 PolarHBondContact O-N 3.03Å; L883-R887 VanDerWaalsContact O-N 3.11Å; R887-H890 PolarHBondContact O-N 3.1Å; R887-Q891 WeakPolarHBondContact O-CG 3.5Å; R887-Q891 PolarHBondContact O-N 3.29Å
888L91.7Very high82.1Confident97 Ų97103.1 Ų103.151%0.50851%0.514SS..Hα-helixtrans-71.8-39.7178.6-160156000111.5S884 L885 D886 H890 Q891 L892S884-L888 WeakPolarHBondContact O-CB 3.45Å; S884-L888 PolarHBondContact O-N 3.02Å; L885-L888 PolarHBondContact O-N 3.34Å; D886-L888 VanDerWaalsContact C-N 3.31Å; D886-L888 PolarHBondContact O-N 3.44Å; L888-H890 VanDerWaalsContact C-N 3.34Å; L888-H890 PolarHBondContact O-N 3.44Å; L888-Q891 PolarHBondContact O-N 3.11Å; L888-L892 WeakPolarHBondContact O-CB 3.31Å; L888-L892 PolarHBondContact O-N 3.44Å
889N88.4Confident80.4Confident90 Ų90108.6 Ų108.648%0.48153%0.531SS..Hα-helixtrans-60.4-42.3171.6-76.6-30000111.5L885 D886 L892 H893L885-N889 WeakPolarHBondContact O-CB 3.48Å; L885-N889 VanDerWaalsContact O-CG 3.26Å; L885-N889 PolarHBondContact O-N 3.24Å; L885-N889 PolarHBondContact O-ND2 3.38Å; D886-N889 PolarHBondContact O-N 2.81Å; N889-L892 PolarHBondContact O-N 3.32Å; N889-H893 WeakPolarHBondContact O-CB 3.23Å; N889-H893 PolarHBondContact O-N 3.07Å
890H87.4Confident78.3Confident130 Ų130114.5 Ų114.560%0.60255%0.548SS*.Hα-helixtrans-64.3-43.5175.9-137.399.5000111.5D886 R887 L888 L892 H893 C894D886-H890 WeakPolarHBondContact O-CB 3.44Å; D886-H890 PolarHBondContact O-N 3.49Å; R887-H890 PolarHBondContact O-N 3.1Å; L888-H890 VanDerWaalsContact C-N 3.34Å; L888-H890 PolarHBondContact O-N 3.44Å; H890-L892 PolarHBondContact O-N 3.2Å; H890-H893 PolarHBondContact O-N 3.24Å; H890-C894 PolarHBondContact O-N 3.23Å; H890-C894 PolarHBondContact O-SG 3.41Å; H890-C894 VanDerWaalsContact O-SG 3.32Å
891Q88.1Confident76.1Confident98 Ų98112.5 Ų112.546%0.45856%0.556SS.*Hα-helixtrans-61.7-42173.1-73.5-179.2-36.500112.1R887 L888 H893 C894 L895R887-Q891 WeakPolarHBondContact O-CG 3.5Å; R887-Q891 PolarHBondContact O-N 3.29Å; L888-Q891 PolarHBondContact O-N 3.11Å; Q891-H893 VanDerWaalsContact C-N 3.34Å; Q891-C894 PolarHBondContact O-N 3.2Å; Q891-L895 WeakPolarHBondContact O-CG 3.44Å; Q891-L895 PolarHBondContact O-N 2.97Å
892L82.1Confident74.1Confident108 Ų108116.8 Ų116.857%0.56557%0.572SS**Hα-helixtrans-65.3-38.1176.8-157.579.1000111.6L888 N889 H890 L895 K896L888-L892 WeakPolarHBondContact O-CB 3.31Å; L888-L892 PolarHBondContact O-N 3.44Å; N889-L892 PolarHBondContact O-N 3.32Å; H890-L892 PolarHBondContact O-N 3.2Å; L892-L895 PolarHBondContact O-N 3.01Å; L892-K896 WeakPolarHBondContact O-CB 3.38Å; L892-K896 PolarHBondContact O-N 3.02Å
893H75.9Confident72Confident111 Ų111117.4 Ų117.451%0.51458%0.581SS.*Hα-helixtrans-64.4-47.7175.1-174.4-107.5000111.6N889 H890 Q891 L895 K896 T897N889-H893 WeakPolarHBondContact O-CB 3.23Å; N889-H893 PolarHBondContact O-N 3.07Å; H890-H893 PolarHBondContact O-N 3.24Å; Q891-H893 VanDerWaalsContact C-N 3.34Å; H893-L895 VanDerWaalsContact C-N 3.32Å; H893-L895 PolarHBondContact O-N 3.49Å; H893-K896 WeakPolarHBondContact O-CA 3.14Å; H893-K896 WeakPolarHBondContact O-CB 3.44Å; H893-K896 PolarHBondContact O-N 2.83Å; H893-T897 PolarHBondContact O-N 2.89Å; H893-T897 PolarHBondContact O-OG1 3.07Å
894C71.6Confident70Confident63 Ų63117.1 Ų117.143%0.42658%0.58SS.*Hα-helixtrans-59.5-39.7175.2-68.50000112.5H890 Q891 K896 T897 Q898H890-C894 PolarHBondContact O-N 3.23Å; H890-C894 PolarHBondContact O-SG 3.41Å; H890-C894 VanDerWaalsContact O-SG 3.32Å; Q891-C894 PolarHBondContact O-N 3.2Å; C894-K896 VanDerWaalsContact C-N 3.31Å; C894-K896 PolarHBondContact O-N 3.46Å; C894-T897 PolarHBondContact O-OG1 3.42Å; C894-T897 VanDerWaalsContact O-OG1 3.05Å; C894-Q898 WeakPolarHBondContact O-CB 3.31Å; C894-Q898 PolarHBondContact O-N 3.08Å
895L70.9Confident67.8Low110 Ų110120.2 Ų120.258%0.57659%0.591SS**Hα-helixtrans-67.5-30.8173.7-70.3169.9000112.7Q891 L892 H893 R899Q891-L895 WeakPolarHBondContact O-CG 3.44Å; Q891-L895 PolarHBondContact O-N 2.97Å; L892-L895 PolarHBondContact O-N 3.01Å; H893-L895 VanDerWaalsContact C-N 3.32Å; H893-L895 PolarHBondContact O-N 3.49Å; L895-R899 WeakPolarHBondContact O-CB 3.44Å; L895-R899 PolarHBondContact O-N 3.19Å; L895-R899 VanDerWaalsContact O-N 3.17Å
896K69.2Low65.2Low160 Ų160123.9 Ų123.970%0.69661%0.611SS**Hα-helixtrans-74.7-40.5178-166.2176.2-176.9-179.20112L892 H893 C894 R900L892-K896 WeakPolarHBondContact O-CB 3.38Å; L892-K896 PolarHBondContact O-N 3.02Å; H893-K896 WeakPolarHBondContact O-CA 3.14Å; H893-K896 WeakPolarHBondContact O-CB 3.44Å; H893-K896 PolarHBondContact O-N 2.83Å; C894-K896 VanDerWaalsContact C-N 3.31Å; C894-K896 PolarHBondContact O-N 3.46Å; K896-R900 PolarHBondContact O-N 3.11Å
897T59.6Low62.7Low71 Ų71122.8 Ų122.844%0.43662%0.621SS.*Hα-helixtrans-69.8-43.6173.7560000111.4H893 C894 R899 R900 G901H893-T897 PolarHBondContact O-N 2.89Å; H893-T897 PolarHBondContact O-OG1 3.07Å; C894-T897 PolarHBondContact O-OG1 3.42Å; C894-T897 VanDerWaalsContact O-OG1 3.05Å; T897-R899 PolarHBondContact O-N 3.35Å; T897-R900 PolarHBondContact O-N 3Å; T897-G901 PolarHBondContact O-N 3.32Å
898Q54.7Low60.1Low146 Ų146123.4 Ų123.468%0.68263%0.63SS**Hα-helixtrans-66.9-19.8178.5-163.9173.756.400113.5C894C894-Q898 WeakPolarHBondContact O-CB 3.31Å; C894-Q898 PolarHBondContact O-N 3.08Å
899R48.5Very low57.2Low209 Ų209125.9 Ų125.979%0.78965%0.65SS**Hα-helixtrans-82.2-28.8168.3-165.8-174.8-78.7-159.1-1.2113L895 T897L895-R899 WeakPolarHBondContact O-CB 3.44Å; L895-R899 PolarHBondContact O-N 3.19Å; L895-R899 VanDerWaalsContact O-N 3.17Å; T897-R899 PolarHBondContact O-N 3.35Å
900R44.1Very low54.7Low189 Ų189126.8 Ų126.871%0.71366%0.659SS**Hα-helixtrans-76.3-43.7176.4-178.4-178.8-81.5-98.46.3112K896 T897 K902 T903K896-R900 PolarHBondContact O-N 3.11Å; T897-R900 PolarHBondContact O-N 3Å; R900-K902 PolarHBondContact O-N 3.09Å; R900-T903 PolarHBondContact O-N 3Å; R900-T903 PolarHBondContact O-OG1 3.31Å; R900-T903 VanDerWaalsContact O-OG1 3.08Å
901G43Very low51.8Low59 Ų59127.1 Ų127.161%0.60867%0.67SS**THydrogen-bonded Turntrans-68.219.1178.700000115.8T897T897-G901 PolarHBondContact O-N 3.32Å
902K46.3Very low48.9Very low177 Ų177127.7 Ų127.777%0.7768%0.683SS**THydrogen-bonded Turntrans-1312.7-174.3-144171-171.3171.20114.1R900R900-K902 PolarHBondContact O-N 3.09Å
903T46.1Very low46.8Very low108 Ų108128.4 Ų128.466%0.66369%0.692SS**SBendtrans-99.8-21.5173.942.10000113.5R900R900-T903 PolarHBondContact O-N 3Å; R900-T903 PolarHBondContact O-OG1 3.31Å; R900-T903 VanDerWaalsContact O-OG1 3.08Å
904D44.3Very low44.8Very low117 Ų117129.3 Ų129.363%0.62671%0.708SS**SBendtrans-98.2-14.2-160.4-53.9-3.1000112.2
905N43.8Very low42.8Very low133 Ų133133.6 Ų133.671%0.71173%0.726SS**SBendtrans-112.890.8179.9-68.2-13.4000111.2
906N35.2Very low40.7Very low169 Ų169134.3 Ų134.390%0.90474%0.735SS**  trans173.175.3143.4-90.4-7000110.7
907G35.2Very low39Very low66 Ų66131.8 Ų131.868%0.6873%0.733SS**  trans-83.9152.7164.100000112.2
908H35.7Very low37.4Very low180 Ų180137 Ų13783%0.83375%0.753SS**  trans55.4102164.2-57.3-75000119.5
909T31.8Very low36.1Very low149 Ų149134 Ų13491%0.91475%0.748SS**  -140.1148.7122.8-430000109.4
910T34.3Very low35.1Very low109 Ų109130.7 Ų130.767%0.66975%0.745SS**  trans-109.1147.5-164.447.90000113.3
911V28.2Very low34.4Very low137 Ų137127.4 Ų127.483%0.8374%0.742SS**  trans69.3146149.5168.10000114.5
912C27Very low33.9Very low110 Ų110133.2 Ų133.274%0.74375%0.753SS**  cis-139.8158.113.3-151.60000111.9
913T36.7Very low33.2Very low123 Ų123133.3 Ų133.376%0.75575%0.753SS**  trans-92.4153.9153.638.80000110.4
914P34.7Very low32.4Very low131 Ų131136.7 Ų136.785%0.85176%0.762SS**  trans-116.8162.9137.434.5-30.8000111.9
915L29.8Very low31.7Very low153 Ų153139.2 Ų139.280%0.80177%0.77SS**  trans-130.4129.1-168.2170.677.9000110.6
916T26.9Very low30.8Very low124 Ų124136.7 Ų136.776%0.76177%0.767SS**  trans-148.4125.315344.70000106.2
917T33.3Very low30.5Very low107 Ų107133.8 Ų133.866%0.65676%0.761SS**  49.5119.667.467.80000110.8
918E25.1Very low30.3Very low182 Ų182135.8 Ų135.885%0.8576%0.764SS**  cis-148-162.739.8-68.9177.3178.600110.3
919S28Very low30.1Very low82 Ų82131.3 Ų131.357%0.57376%0.758SS**  -160156.6-6674.30000107.1
920N28.9Very low30Very low139 Ų139131.1 Ų131.174%0.74375%0.751SS**  trans52.3149.2151.8-66.5-42.3000121.6
921N29Very low29.8Very low120 Ų120133 Ų13364%0.64276%0.756SS**  cis-166.7-167.4-28.1-136-56.5000108
922H31.3Very low30Very low182 Ų182132.8 Ų132.884%0.84375%0.75SS**  trans79.2119.8178.9-517.9000114.6
923K31.8Very low30.2Very low178 Ų178134 Ų13477%0.77475%0.745SS**  cis86.477.82.8-157.5-165.4176.9-175.80119.1
924Q30Very low30Very low180 Ų180139 Ų13984%0.84175%0.751SS**  trans-142.6149.3131.5-58.8-165.5-0.600106.4
925Q28.2Very low30.1Very low169 Ų169140.7 Ų140.779%0.7975%0.748SS**  cis64.8138.139.9-71.8-173.8-60.300113.9
926A26.7Very low30.4Very low80 Ų80143.3 Ų143.366%0.66175%0.753SS**  cis-165167-16.500000109.9
927S28.6Very low31.2Very low109 Ų109146.6 Ų146.676%0.76276%0.757SS**  trans62.6148.8166.3-64.80000117.2
928S30.6Very low31.6Very low107 Ų107151.1 Ų151.175%0.74878%0.784SS**  cis81.6101.220.687.20000117
929A32Very low31.9Very low86 Ų86149.6 Ų149.671%0.71178%0.781SS**  trans-177152.3137.200000113.5
930N28.7Very low32.1Very low145 Ų145153.1 Ų153.178%0.77579%0.792SS**  trans73.7133.9156.8-54.3-25.9000119.3
931L30.9Very low32.3Very low148 Ų148153.9 Ų153.978%0.77579%0.794SS**  cis79.7139.725-159.883.6000112.6
932L32.8Very low32.5Very low133 Ų133155.9 Ų155.970%0.69680%0.803SS**  cis-91.8-148-1.6-67.2157.6000110
933H30.8Very low32.5Very low136 Ų136154.3 Ų154.363%0.6380%0.801SS**  cis-158154.4-3-148.3-55.3000111.1
934Y32Very low32.6Very low228 Ų228152.7 Ų152.789%0.89480%0.803SS**  trans-145.9138151.1-115.7-89.5000109.1
935Q37.5Very low32.8Very low167 Ų167150.7 Ų150.778%0.7880%0.8SS**PPolyproline II helixtrans-90.6144.9175.7-77.8175.6-5200110.8
936K34.9Very low33.1Very low207 Ų207149.3 Ų149.390%0.980%0.801SS**PPolyproline II helixtrans-83.3138.2153.4-94.8-173.6170.4-172.30108.1
937K44.7Very low33.7Very low194 Ų194155.1 Ų155.184%0.84381%0.812SS**PPolyproline II helixtrans-92.6128.6156.7-88.8-163170.7-162.90109.4
938T40.4Very low34.1Very low201 Ų201159.3 Ų159.3100%1.23382%0.817SS**  -65.6012049.80000107.6

Retrieved 938 of 938 residues in 545.5 ms (Link to these results)