A0A5K4F3S9_SCHMA Loading...

C-type lectin domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3S9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,228 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
1M80.3Confident91.4Very high207 Ų207125.4 Ų125.4100%1.0262%0.62SS**  0-59.80-163.6163.776.500113I3 R4 L5M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.43Å; M1-I3 VanDerWaalsContact O-N 3.11Å; M1-R4 PolarHBondContact O-N 3.49Å; M1-L5 PolarHBondContact O-N 3.36Å
2I91.2Very high91.6Very high139 Ų139124 Ų12471%0.71362%0.616SS**Hα-helixtrans-44.4-47.7-170.5-60.7170.8000114.6R4 L5 S6I2-R4 VanDerWaalsContact C-N 3.33Å; I2-R4 PolarHBondContact O-N 3.47Å; I2-L5 WeakPolarHBondContact O-CB 3.47Å; I2-L5 PolarHBondContact O-N 3.28Å; I2-S6 PolarHBondContact O-N 3.01Å
3I90.8Very high91.8Very high147 Ų147122.5 Ų122.575%0.75461%0.611SS**Hα-helixtrans-57.2-41.5-178.7-60.6173.8000112.4M1 S6 F7M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.43Å; M1-I3 VanDerWaalsContact O-N 3.11Å; I3-S6 PolarHBondContact O-N 3.24Å; I3-F7 WeakPolarHBondContact O-CB 3.36Å; I3-F7 PolarHBondContact O-N 3.49Å
4R88.6Confident92.1Very high202 Ų202120.7 Ų120.776%0.76260%0.603SS**Hα-helixtrans-65.9-39.3176.1-72.7-168.8179-171.50.8111.8M1 I2 S6 F7 I8M1-R4 PolarHBondContact O-N 3.49Å; I2-R4 VanDerWaalsContact C-N 3.33Å; I2-R4 PolarHBondContact O-N 3.47Å; R4-S6 VanDerWaalsContact C-N 3.35Å; R4-F7 PolarHBondContact O-N 3.37Å; R4-I8 WeakPolarHBondContact O-CD1 3.46Å; R4-I8 VanDerWaalsContact O-CG1 3.25Å; R4-I8 WeakPolarHBondContact O-CG1 3.44Å; R4-I8 PolarHBondContact O-N 2.94Å
5L92.6Very high92.1Very high98 Ų98117.8 Ų117.851%0.51360%0.597SS.*Hα-helixtrans-65.8-39.3178.1-166.170.6000111.6M1 I2 I8 H9M1-L5 PolarHBondContact O-N 3.36Å; I2-L5 WeakPolarHBondContact O-CB 3.47Å; I2-L5 PolarHBondContact O-N 3.28Å; L5-I8 PolarHBondContact O-N 3.26Å; L5-H9 PolarHBondContact O-N 2.94Å; L5-H9 PolarHBondContact O-ND1 3.13Å
6S92.1Very high92.2Very high78 Ų78117.9 Ų117.955%0.54559%0.593SS.*Hα-helixtrans-68.3-40.8176.1-1620000112.2I2 I3 R4 H9 L10I2-S6 PolarHBondContact O-N 3.01Å; I3-S6 PolarHBondContact O-N 3.24Å; R4-S6 VanDerWaalsContact C-N 3.35Å; S6-H9 PolarHBondContact O-N 3.26Å; S6-L10 PolarHBondContact O-N 3.47Å
7F93Very high92.2Very high139 Ų139115.2 Ų115.261%0.6158%0.583SS**Hα-helixtrans-64.3-40.8174.4-166.4-92.7000112.1I3 R4 H9 L10 V11I3-F7 WeakPolarHBondContact O-CB 3.36Å; I3-F7 PolarHBondContact O-N 3.49Å; R4-F7 PolarHBondContact O-N 3.37Å; F7-H9 VanDerWaalsContact C-N 3.34Å; F7-H9 PolarHBondContact O-N 3.24Å; F7-L10 PolarHBondContact O-N 3.14Å; F7-V11 HydrophobicContact CD1-CG2 4.02Å; F7-V11 HydrophobicContact CE1-CG2 3.74Å; F7-V11 HydrophobicContact CZ-CG2 4.32Å; F7-V11 WeakPolarHBondContact O-CG2 3.14Å; F7-V11 PolarHBondContact O-N 2.94Å
8I93.5Very high92.1Very high93 Ų93115.4 Ų115.448%0.47758%0.582SS.*Hα-helixtrans-61.2-42.1173.2-70.1163.8000110.9R4 L5 V11 L12R4-I8 WeakPolarHBondContact O-CD1 3.46Å; R4-I8 VanDerWaalsContact O-CG1 3.25Å; R4-I8 WeakPolarHBondContact O-CG1 3.44Å; R4-I8 PolarHBondContact O-N 2.94Å; L5-I8 PolarHBondContact O-N 3.26Å; I8-V11 PolarHBondContact O-N 2.91Å; I8-L12 HydrophobicContact CG2-CD1 3.93Å; I8-L12 HydrophobicContact CG2-CG 4.5Å; I8-L12 WeakPolarHBondContact O-CB 3.45Å; I8-L12 VanDerWaalsContact O-CG 3.3Å; I8-L12 WeakPolarHBondContact O-CG 3.31Å; I8-L12 PolarHBondContact O-N 3.1Å
9H93.9Very high91.8Very high118 Ų118115.8 Ų115.855%0.54658%0.58SS.*Hα-helixtrans-63.6-41.1174.7-82.668.1000112.5L5 S6 F7 L12 L13L5-H9 PolarHBondContact O-N 2.94Å; L5-H9 PolarHBondContact O-ND1 3.13Å; S6-H9 PolarHBondContact O-N 3.26Å; F7-H9 VanDerWaalsContact C-N 3.34Å; F7-H9 PolarHBondContact O-N 3.24Å; H9-L12 PolarHBondContact O-N 3.01Å; H9-L13 WeakPolarHBondContact O-CB 3.29Å; H9-L13 PolarHBondContact O-N 3.4Å
10L94.5Very high91.6Very high91 Ų91114.7 Ų114.748%0.47658%0.575SS.*Hα-helixtrans-64.3-43.8177.2-178.461.1000112S6 F7 L13 I14S6-L10 PolarHBondContact O-N 3.47Å; F7-L10 PolarHBondContact O-N 3.14Å; L10-L13 PolarHBondContact O-N 3.24Å; L10-I14 HydrophobicContact CD1-CD1 4.14Å; L10-I14 HydrophobicContact CD1-CG1 4.43Å; L10-I14 HydrophobicContact CG-CD1 4.01Å; L10-I14 VanDerWaalsContact O-CG1 3.31Å; L10-I14 WeakPolarHBondContact O-CG1 3.38Å; L10-I14 PolarHBondContact O-N 2.87Å
11V94.5Very high91.4Very high67 Ų67115.1 Ų115.141%0.40658%0.578SS.*Hα-helixtrans-63.2-44.8175.7172.80000110.9F7 I8 L13 I14 C15F7-V11 HydrophobicContact CD1-CG2 4.02Å; F7-V11 HydrophobicContact CE1-CG2 3.74Å; F7-V11 HydrophobicContact CZ-CG2 4.32Å; F7-V11 WeakPolarHBondContact O-CG2 3.14Å; F7-V11 PolarHBondContact O-N 2.94Å; I8-V11 PolarHBondContact O-N 2.91Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 3.25Å; V11-I14 PolarHBondContact O-N 3.04Å; V11-C15 WeakPolarHBondContact O-CB 3.43Å; V11-C15 PolarHBondContact O-N 2.92Å; V11-C15 PolarHBondContact O-SG 3.16Å
12L94.4Very high91.5Very high109 Ų109109.4 Ų109.457%0.57156%0.557SS**Hα-helixtrans-60.6-40.6175.1-74.5169.5000112.3I8 H9 C15 F16I8-L12 HydrophobicContact CG2-CD1 3.93Å; I8-L12 HydrophobicContact CG2-CG 4.5Å; I8-L12 WeakPolarHBondContact O-CB 3.45Å; I8-L12 VanDerWaalsContact O-CG 3.3Å; I8-L12 WeakPolarHBondContact O-CG 3.31Å; I8-L12 PolarHBondContact O-N 3.1Å; H9-L12 PolarHBondContact O-N 3.01Å; L12-C15 PolarHBondContact O-N 3.07Å; L12-F16 VanDerWaalsContact O-CB 3.32Å; L12-F16 WeakPolarHBondContact O-CB 3.4Å; L12-F16 PolarHBondContact O-N 3.12Å
13L94.8Very high90.9Very high105 Ų105106.6 Ų106.655%0.5554%0.543SS..Hα-helixtrans-63.7-46.5176.7-171.275000111.5H9 L10 V11 F16 V17H9-L13 WeakPolarHBondContact O-CB 3.29Å; H9-L13 PolarHBondContact O-N 3.4Å; L10-L13 PolarHBondContact O-N 3.24Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 3.25Å; L13-F16 PolarHBondContact O-N 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.36Å; L13-V17 PolarHBondContact O-N 3.01Å
14I94.7Very high89.3Confident97 Ų97104.9 Ų104.950%0.49754%0.541SS..Hα-helixtrans-61.4-46.7177.2-68.5165.5000110.2L10 V11 F16 V17 H18L10-I14 HydrophobicContact CD1-CD1 4.14Å; L10-I14 HydrophobicContact CD1-CG1 4.43Å; L10-I14 HydrophobicContact CG-CD1 4.01Å; L10-I14 VanDerWaalsContact O-CG1 3.31Å; L10-I14 WeakPolarHBondContact O-CG1 3.38Å; L10-I14 PolarHBondContact O-N 2.87Å; V11-I14 PolarHBondContact O-N 3.04Å; I14-F16 VanDerWaalsContact C-N 3.32Å; I14-F16 PolarHBondContact O-N 3.09Å; I14-V17 PolarHBondContact O-N 2.97Å; I14-H18 WeakPolarHBondContact O-CB 3.23Å; I14-H18 PolarHBondContact O-N 2.9Å
15C92.4Very high87.8Confident77 Ų77102 Ų10252%0.5255%0.546SS..Hα-helixtrans-60.8-38.1175.5-70.20000112.7V11 L12 F19V11-C15 WeakPolarHBondContact O-CB 3.43Å; V11-C15 PolarHBondContact O-N 2.92Å; V11-C15 PolarHBondContact O-SG 3.16Å; L12-C15 PolarHBondContact O-N 3.07Å; C15-F19 VanDerWaalsContact O-CB 3.28Å; C15-F19 WeakPolarHBondContact O-CB 3.36Å; C15-F19 PolarHBondContact O-N 3.12Å
16F93.3Very high85.8Confident120 Ų120104.2 Ų104.253%0.52656%0.559SS.*Hα-helixtrans-69.9-40.8178-172.3-104.3000112.5L12 L13 I14 F19 L20L12-F16 VanDerWaalsContact O-CB 3.32Å; L12-F16 WeakPolarHBondContact O-CB 3.4Å; L12-F16 PolarHBondContact O-N 3.12Å; L13-F16 PolarHBondContact O-N 3.29Å; I14-F16 VanDerWaalsContact C-N 3.32Å; I14-F16 PolarHBondContact O-N 3.09Å; F16-F19 PolarHBondContact O-N 2.81Å; F16-L20 HydrophobicContact CD1-CD1 3.95Å; F16-L20 HydrophobicContact CD1-CG 4.49Å; F16-L20 HydrophobicContact CE1-CD1 3.61Å; F16-L20 HydrophobicContact CE1-CG 4.25Å; F16-L20 HydrophobicContact CZ-CD1 4.24Å; F16-L20 HydrophobicContact CZ-CG 4.48Å; F16-L20 WeakPolarHBondContact O-CG 3.43Å; F16-L20 PolarHBondContact O-N 3.41Å
17V93Very high83.6Confident71 Ų71107.7 Ų107.743%0.4357%0.571SS.*Hα-helixtrans-64.4-44.3173.6171.40000110.9L13 I14 F19 L20 I21L13-V17 WeakPolarHBondContact O-CG2 3.36Å; L13-V17 PolarHBondContact O-N 3.01Å; I14-V17 PolarHBondContact O-N 2.97Å; V17-F19 VanDerWaalsContact C-N 3.33Å; V17-F19 PolarHBondContact O-N 3.2Å; V17-L20 PolarHBondContact O-N 3.49Å; V17-I21 HydrophobicContact CG1-CD1 3.8Å; V17-I21 WeakPolarHBondContact O-CG1 3.33Å; V17-I21 PolarHBondContact O-N 2.9Å
18H90Very high81.2Confident120 Ų120108 Ų10856%0.55659%0.585SS**Hα-helixtrans-64.8-37.4176.6-133.5-80.7000111.9I14 I21 C22I14-H18 WeakPolarHBondContact O-CB 3.23Å; I14-H18 PolarHBondContact O-N 2.9Å; H18-I21 PolarHBondContact O-N 2.83Å; H18-C22 WeakPolarHBondContact O-CB 3.43Å; H18-C22 PolarHBondContact O-N 3.02Å; H18-C22 PolarHBondContact O-SG 3.47Å
19F85.9Confident78.7Confident123 Ų123110 Ų11054%0.53960%0.596SS.*Hα-helixtrans-60.3-49.5172.5177.4-100.1000111.4C15 F16 V17 I21 C22 I23C15-F19 VanDerWaalsContact O-CB 3.28Å; C15-F19 WeakPolarHBondContact O-CB 3.36Å; C15-F19 PolarHBondContact O-N 3.12Å; F16-F19 PolarHBondContact O-N 2.81Å; V17-F19 VanDerWaalsContact C-N 3.33Å; V17-F19 PolarHBondContact O-N 3.2Å; F19-I21 PolarHBondContact O-N 3.32Å; F19-C22 CarbonylContact O-C 3.53Å; F19-C22 PolarHBondContact O-N 2.77Å; F19-C22 VanDerWaalsContact O-N 3.11Å; F19-I23 HydrophobicContact CD1-CD1 4.38Å; F19-I23 HydrophobicContact CE1-CD1 4.02Å; F19-I23 HydrophobicContact CE1-CG1 4.4Å; F19-I23 WeakPolarHBondContact O-CG1 3.45Å; F19-I23 PolarHBondContact O-N 2.94Å
20L87.9Confident76.2Confident92 Ų92110.9 Ų110.948%0.48261%0.609SS.*Hα-helixtrans-59.1-43.3177.5-73.7173.5000112.7F16 V17 C22 I23F16-L20 HydrophobicContact CD1-CD1 3.95Å; F16-L20 HydrophobicContact CD1-CG 4.49Å; F16-L20 HydrophobicContact CE1-CD1 3.61Å; F16-L20 HydrophobicContact CE1-CG 4.25Å; F16-L20 HydrophobicContact CZ-CD1 4.24Å; F16-L20 HydrophobicContact CZ-CG 4.48Å; F16-L20 WeakPolarHBondContact O-CG 3.43Å; F16-L20 PolarHBondContact O-N 3.41Å; V17-L20 PolarHBondContact O-N 3.49Å; L20-C22 VanDerWaalsContact C-N 3.27Å; L20-C22 PolarHBondContact O-N 3.09Å; L20-I23 HydrophobicContact CD2-CD1 4.07Å; L20-I23 PolarHBondContact O-N 3.06Å
21I88.3Confident73.7Confident125 Ų125113.7 Ų113.764%0.64162%0.623SS**Hα-helixtrans-65.2-32.3176.7-67.3167.1000111.3V17 H18 F19V17-I21 HydrophobicContact CG1-CD1 3.8Å; V17-I21 WeakPolarHBondContact O-CG1 3.33Å; V17-I21 PolarHBondContact O-N 2.9Å; H18-I21 PolarHBondContact O-N 2.83Å; F19-I21 PolarHBondContact O-N 3.32Å
22C83.1Confident71Confident87 Ų87113.6 Ų113.659%0.58864%0.636SS**THydrogen-bonded Turntrans-85.33.1178-690000114.8H18 F19 L20 P24H18-C22 WeakPolarHBondContact O-CB 3.43Å; H18-C22 PolarHBondContact O-N 3.02Å; H18-C22 PolarHBondContact O-SG 3.47Å; F19-C22 CarbonylContact O-C 3.53Å; F19-C22 PolarHBondContact O-N 2.77Å; F19-C22 VanDerWaalsContact O-N 3.11Å; L20-C22 VanDerWaalsContact C-N 3.27Å; L20-C22 PolarHBondContact O-N 3.09Å; C22-P24 VanDerWaalsContact O-CD 3.26Å; C22-P24 WeakPolarHBondContact O-CD 3.43Å
23I76.8Confident68.4Low80 Ų80114.7 Ų114.741%0.4164%0.643SS.*SBendtrans-74.8115.7170.9-65.1173.7000109F19 L20 T25F19-I23 HydrophobicContact CD1-CD1 4.38Å; F19-I23 HydrophobicContact CE1-CD1 4.02Å; F19-I23 HydrophobicContact CE1-CG1 4.4Å; F19-I23 WeakPolarHBondContact O-CG1 3.45Å; F19-I23 PolarHBondContact O-N 2.94Å; L20-I23 HydrophobicContact CD2-CD1 4.07Å; L20-I23 PolarHBondContact O-N 3.06Å; I23-T25 PolarHBondContact O-N 3.33Å; I23-T25 VanDerWaalsContact O-N 3.09Å
24P57.4Low65.7Low110 Ų110115.1 Ų115.171%0.71465%0.65SS**  trans-71.6107.8175.729.4-33.3000110.1C22 N26C22-P24 VanDerWaalsContact O-CD 3.26Å; C22-P24 WeakPolarHBondContact O-CD 3.43Å; P24-N26 VanDerWaalsContact C-N 3.33Å; P24-N26 PolarHBondContact O-N 3.3Å
25T58.6Low63Low143 Ų143116.6 Ų116.688%0.87766%0.663SS**  trans-69.484.3177.553.40000111.2I23I23-T25 PolarHBondContact O-N 3.33Å; I23-T25 VanDerWaalsContact O-N 3.09Å
26N49.2Very low60.3Low144 Ų144119 Ų11977%0.7768%0.676SS**  trans-119.565.6-174.4-158.52000111.3P24P24-N26 VanDerWaalsContact C-N 3.33Å; P24-N26 PolarHBondContact O-N 3.3Å
27N47.1Very low57.7Low151 Ų151119.2 Ų119.281%0.80769%0.687SS**  trans-150.990.9179.6-97.3-39.9000111.9
28T41.7Very low54.9Low145 Ų145121.5 Ų121.589%0.8970%0.701SS**  trans-132.484.2160.334.40000109.2
29N41.1Very low52.3Low136 Ų136122.9 Ų122.973%0.72771%0.711SS**  trans-106.895.8-179.8-1582.7000108.9
30V42.1Very low49.9Very low135 Ų135122 Ų12282%0.81872%0.716SS**  trans-100.8120.2-180-179.50000108.8
31I41.8Very low47.6Very low150 Ų150125 Ų12577%0.76973%0.731SS**  trans-110.8124.9-171.8-63.3175.7000110.5
32G37.6Very low45Very low66 Ų66123.6 Ų123.668%0.6873%0.728SS**  trans99.2146.4166.800000115.2
33N39.1Very low42.7Very low131 Ų131127 Ų12770%0.70174%0.741SS**  cis-156.5165.3-7.861.135.5000113.2
34T37.8Very low40.7Very low115 Ų115128 Ų12871%0.70675%0.751SS**  trans74.6143.3152.9-27.10000120.6
35T39.5Very low39.6Very low127 Ų127129.1 Ų129.178%0.77976%0.756SS**  trans84.898.9160.3-24.70000118
36V35.9Very low38.5Very low129 Ų129127.5 Ų127.578%0.78275%0.745SS**  trans-53140.6168.4177.20000112.2
37T37.4Very low37.8Very low124 Ų124128.6 Ų128.676%0.76175%0.746SS**  trans-141.1130.2150.1-67.80000108.6I39T37-I39 PolarHBondContact O-N 2.71Å
38T35.1Very low37.5Very low118 Ų118128.8 Ų128.872%0.72475%0.745SS**  trans-71.4115.1-175.5-54.30000110.8
39I35Very low37.4Very low150 Ų150128.1 Ų128.177%0.76974%0.741SS**  trans-101.899.4168.4-60.3-178.4000108.8T37 I41T37-I39 PolarHBondContact O-N 2.71Å; I39-I41 PolarHBondContact O-N 3.04Å
40T35.8Very low37.1Very low105 Ų105124.5 Ų124.564%0.64474%0.736SS**  trans-67.3119168.8-55.60000109.3T42T40-T42 VanDerWaalsContact C-N 3.28Å; T40-T42 PolarHBondContact O-N 2.97Å
41I38.2Very low36.8Very low155 Ų155124.7 Ų124.780%0.79574%0.738SS**  trans-79.381.9171.3-54.9179.4000108.4I39I39-I41 PolarHBondContact O-N 3.04Å
42T34.9Very low36.4Very low95 Ų95122.2 Ų122.258%0.58374%0.74SS**  trans-76.4121.5169.8-53.60000109.2T40 T44T40-T42 VanDerWaalsContact C-N 3.28Å; T40-T42 PolarHBondContact O-N 2.97Å; T42-T44 VanDerWaalsContact C-N 3.31Å; T42-T44 WeakPolarHBondContact CG2-OG1 3.33Å; T42-T44 PolarHBondContact O-N 3.33Å
43N33.8Very low36.2Very low158 Ų158130.4 Ų130.485%0.84575%0.75SS**  trans-7087.2167.6-88.8-15.2000109.7
44T35.3Very low36.1Very low101 Ų101129.8 Ų129.862%0.6275%0.751SS**  trans-97.897.6175.3-53.60000110.5T42 T46T42-T44 VanDerWaalsContact C-N 3.31Å; T42-T44 WeakPolarHBondContact CG2-OG1 3.33Å; T42-T44 PolarHBondContact O-N 3.33Å; T44-T46 PolarHBondContact O-N 2.65Å; T44-T46 PolarHBondContact O-OG1 2.93Å
45T34.1Very low36.1Very low134 Ų134130.6 Ų130.682%0.82276%0.755SS**  trans-54.2108.1170.6-550000110.3
46T36.9Very low36.1Very low108 Ų108129.6 Ų129.666%0.66375%0.749SS**  trans-102111.3176.4-55.70000109.2T44 I48T44-T46 PolarHBondContact O-N 2.65Å; T44-T46 PolarHBondContact O-OG1 2.93Å; T46-I48 HydrophobicContact CG2-CG1 4.49Å; T46-I48 PolarHBondContact O-N 3.41Å
47H33.3Very low36.4Very low168 Ų168128.4 Ų128.478%0.77874%0.743SS**  trans-69.3117.7176.7-127.7-92.4000109.7
48I41.4Very low36.6Very low154 Ų154126.7 Ų126.779%0.7973%0.732SS**  trans-114.492.9169.1-55.1-178000108.3T46 G50T46-I48 HydrophobicContact CG2-CG1 4.49Å; T46-I48 PolarHBondContact O-N 3.41Å; I48-G50 PolarHBondContact O-N 3.24Å
49T40.1Very low36.9Very low131 Ų131125 Ų12580%0.80472%0.716SS**  trans-79.6111171.5-54.80000108.5
50G34.6Very low37.1Very low60 Ų60122.5 Ų122.562%0.61971%0.709SS**  trans-173.883.9-17600000115.6I48I48-G50 PolarHBondContact O-N 3.24Å
51T35.2Very low37.2Very low140 Ų140124 Ų12486%0.85972%0.718SS**  trans41.694.7152.1-47.40000117.8
52A32.9Very low37.2Very low98 Ų98122 Ų12281%0.8171%0.714SS**  trans-63.7135.8165.200000111.3
53R34.6Very low37.4Very low238 Ų238123.2 Ų123.290%0.89872%0.721SS**  trans-130.492.5169.5-163177.8-170.5-160.51.2109.7V55R53-V55 PolarHBondContact O-N 3.47Å
54T36.6Very low37.6Very low118 Ų118121.5 Ų121.572%0.72472%0.716SS**  trans-64.8129.8-179.3-44.10000110.8
55V37.9Very low37.8Very low131 Ų131124.2 Ų124.279%0.79473%0.725SS**  trans-114.8115.11631780000106.6R53R53-V55 PolarHBondContact O-N 3.47Å
56T39.3Very low38.1Very low106 Ų106122.9 Ų122.965%0.6572%0.721SS**  trans-108.6122.7179.7-39.70000108.7T58T56-T58 WeakPolarHBondContact CG2-OG1 3.18Å
57T42.3Very low38.2Very low105 Ų105126.7 Ų126.764%0.64473%0.729SS**  trans-109.8123.7168.6-54.30000106.9T690 T691T57-T690 HydrophobicContact CG2-CG2 3.83Å; T57-T691 WeakPolarHBondContact CG2-OG1 3.34Å
58T40.5Very low38.2Very low88 Ų88122.9 Ų122.954%0.5472%0.719SS.*  trans-141.3126.6-165.5-49.70000110T56 T691T56-T58 WeakPolarHBondContact CG2-OG1 3.18Å; T58-T691 WeakPolarHBondContact O-CG2 3.34Å
59E42Very low38.3Very low82 Ų82123.1 Ų123.138%0.38372%0.72SS.*  trans-135.3157.3158.2-104.4-171.5-166.300112.4I689 T690 T691E59-I689 VanDerWaalsContact OE2-C 3.27Å; E59-T690 HydrophobicContact CB-CG2 3.78Å; E59-T690 VanDerWaalsContact CB-OG1 3.26Å; E59-T690 WeakPolarHBondContact CB-OG1 3.43Å; E59-T690 HydrophobicContact CG-CG2 3.84Å; E59-T690 WeakPolarHBondContact OE1-CA 3.25Å; E59-T690 PolarHBondContact OE1-N 3.26Å; E59-T690 PolarHBondContact OE2-N 2.72Å; E59-T690 PolarHBondContact OE2-OG1 3.13Å; E59-T691 PolarHBondContact OE1-N 3.24Å
60P38.9Very low37.9Very low97 Ų97120.4 Ų120.463%0.6370%0.704SS**  trans-88.9135.8-165.334.3-33.5000112.1
61V38.3Very low38.1Very low136 Ų136123.8 Ų123.882%0.82471%0.712SS**  trans-93.1104.7143.8177.70000106.3T63V61-T63 PolarHBondContact O-N 3.29Å
62T38.7Very low37.9Very low115 Ų115125.9 Ų125.971%0.70671%0.712SS**  trans-73.6117.5-179.2-47.40000110.1
63T38.5Very low38Very low120 Ų120125.1 Ų125.174%0.73671%0.713SS**  trans-131.6108.8168.6-7.70000110.1V61 I65V61-T63 PolarHBondContact O-N 3.29Å; T63-I65 PolarHBondContact O-N 2.86Å
64T37.8Very low37.7Very low122 Ų122118.5 Ų118.575%0.74871%0.71SS**  trans-75.8115.8-175.4-50.80000111.1
65I40.8Very low37.5Very low158 Ų158121.2 Ų121.281%0.8172%0.718SS**  trans-123.9115.8163.8-60.5-179.1000107.7T63T63-I65 PolarHBondContact O-N 2.86Å
66S40.3Very low37.1Very low106 Ų106121.2 Ų121.274%0.74172%0.718SS**PPolyproline II helixtrans-72.3144-175.9-60.20000112.3
67K38.6Very low36.7Very low188 Ų188120.3 Ų120.382%0.81772%0.722SS**PPolyproline II helixtrans-73.4144.8-174.6-62.1174.7-179.5173.80112.6
68P33.6Very low36.2Very low88 Ų88121.8 Ų121.857%0.57173%0.731SS**PPolyproline II helixtrans-73.9146.4152.833-32.3000110.2
69I42.4Very low35.9Very low159 Ų159125.2 Ų125.282%0.81574%0.744SS**  trans-113.9139166.6-62.7177.6000107.4
70T33.3Very low35.6Very low74 Ų74125 Ų12545%0.45476%0.764SS.*  trans-127.3131.9-175.8-48.80000109.8N914T70-N914 PolarHBondContact OG1-ND2 3.48Å
71T38Very low35.4Very low130 Ų130130 Ų13080%0.79878%0.776SS**  trans-137.7145.6170.4-440000109.3
72H31.3Very low35.4Very low184 Ų184130.2 Ų130.285%0.85278%0.777SS**  trans-91156.1-167.4-62.1-102.9000114
73G34Very low35.3Very low82 Ų82130.6 Ų130.685%0.84578%0.78SS**  trans-175.2116162.800000111.2
74A28.7Very low35.1Very low99 Ų99132.9 Ų132.982%0.81878%0.782SS**  trans-134.5150-178.100000111.3
75I32.2Very low35.1Very low175 Ų175135.1 Ų135.190%0.89779%0.788SS**  trans-163.2165164.8-100.6146.1000108.2
76T30.6Very low35.1Very low131 Ų131132.5 Ų132.580%0.80478%0.781SS**  trans-133.1155.2-145.5-33.60000115.2
77A30.9Very low34.8Very low87 Ų87135.7 Ų135.772%0.71979%0.786SS**  trans73.4165.5159.400000116.7
78T30.9Very low34.8Very low136 Ų136133.9 Ų133.983%0.83478%0.784SS**  cis-144.7171.316.5-45.20000113.3
79I34.9Very low35Very low160 Ų160133 Ų13382%0.82179%0.79SS**  trans-82.4154-169.4-60.4151.2000114.4
80G34.6Very low34.7Very low77 Ų77131.3 Ų131.379%0.79479%0.788SS**  trans-145.2139.4158.700000113
81K34.7Very low34.8Very low204 Ų204133.7 Ų133.789%0.88780%0.802SS**  trans-124.2148.5-177.3-103.2-168175.3-1700112
82T37.7Very low34.7Very low139 Ų139133.9 Ų133.985%0.85380%0.803SS**  trans-178.2146.9161.5-85.30000108.9
83T36.8Very low34.8Very low124 Ų124130.6 Ų130.676%0.76180%0.801SS**  cis-158.5163.7-27.8-76.20000107.7
84E34.8Very low34.7Very low167 Ų167132.2 Ų132.278%0.7880%0.8SS**  trans-84.4169.8-176.6-55.8165.718000114.8
85I37.9Very low35.1Very low169 Ų169135.9 Ų135.987%0.86780%0.804SS**  -169.6149.9124.6-99.3157.2000111.2
86P41.7Very low35.1Very low103 Ų103134.6 Ų134.667%0.66980%0.799SS**  trans-140.5-153.2-141.145.3-26.5000117
87M33.8Very low35.2Very low174 Ų174133.1 Ų133.186%0.85779%0.794SS**  trans85.8148.5161.4-110.2179.9172.100117.2
88I38.9Very low35.2Very low149 Ų149136 Ų13676%0.76480%0.796SS**  cis-137.1136.811.9-58.4175.7000107.8
89G36.1Very low35.4Very low69 Ų69137.3 Ų137.371%0.71180%0.796SS**  85139.976.300000111.9
90T37.9Very low35.3Very low124 Ų124135 Ų13576%0.76179%0.79SS**  cis-154.6132.62240.40000110.3
91T35.1Very low35.1Very low124 Ų124138.3 Ų138.376%0.76179%0.789SS**  46.8142.796.449.90000116.4
92V34.4Very low35Very low135 Ų135134.4 Ų134.482%0.81879%0.788SS**  cis-152.4176.310.5-119.80000108.4
93S33.4Very low34.7Very low115 Ų115132.8 Ų132.880%0.80478%0.782SS**  cis-163-169.53.243.80000109.7
94S32.1Very low34.5Very low116 Ų116134.6 Ų134.681%0.81179%0.785SS**  trans-130.5164172.360.10000112.3
95L37Very low34.3Very low175 Ų175133.7 Ų133.792%0.91678%0.784SS**  trans-158153162-110.2174.9000111.6
96N32.1Very low34Very low149 Ų149131.5 Ų131.580%0.79778%0.784SS**  trans-151.9122.9-171.9-172.219.4000112.3
97S34Very low33.3Very low100 Ų100131.6 Ų131.670%0.69978%0.783SS**  trans-170.4115.6175.652.50000109.1
98I29.5Very low33.3Very low148 Ų148129.7 Ų129.776%0.75978%0.776SS**  59.210573.1-55.7173.6000113.1
99I36.1Very low33Very low163 Ų163129.7 Ų129.784%0.83678%0.778SS**  trans159.5146149.6-90.8159.6000109.1
100T33.2Very low32.7Very low112 Ų112131.8 Ų131.869%0.68778%0.781SS**  cis-160156.2-33.8-79.90000107.7
101N29.1Very low32.6Very low146 Ų146131.3 Ų131.378%0.78178%0.781SS**  trans-28.7141.2169.7-60.5-22.6000117.6
102S33.6Very low32.4Very low122 Ų122132.6 Ų132.685%0.85378%0.783SS**  -162.6154.7110.7-81.40000112.8
103S30.7Very low32.3Very low104 Ų104135.8 Ų135.873%0.72779%0.786SS**  trans-75.9168.7175.155.70000111.4
104I34.2Very low32.3Very low163 Ų163137.2 Ų137.284%0.83678%0.784SS**  -155.6150.681.2-86.8161.1000111.4
105I29.4Very low32.2Very low147 Ų147138.8 Ų138.875%0.75478%0.784SS**  trans-82.3137.5179.1-62.3157.3000111.1
106S31.1Very low32.1Very low123 Ų123136.5 Ų136.586%0.8678%0.782SS**  trans-153.9130.2141.7-1220000111.9
107T28.5Very low32Very low106 Ų106134.5 Ų134.565%0.6578%0.78SS**  trans-92.5157.1175.452.30000110.5
108N32.3Very low31.9Very low133 Ų133137.9 Ų137.971%0.71179%0.789SS**  175.9139115-84.5-14.5000114
109N33.2Very low32Very low149 Ų149138.8 Ų138.880%0.79780%0.796SS**  trans64.6116.7147.3-57.2-9000121.1
110S30.5Very low31.9Very low113 Ų113134.3 Ų134.379%0.7979%0.79SS**  trans-64.1170.8153-42.10000112.1
111P35Very low31.7Very low115 Ų115135.5 Ų135.575%0.74780%0.797SS**  -137165.3112.138.6-29.9000114.8
112N30.9Very low32Very low150 Ų150135.8 Ų135.880%0.80280%0.797SS**  trans-63.5154.2170.6-63.1-53.2000112.3
113F33.7Very low31.8Very low203 Ų203137 Ų13789%0.8979%0.794SS**  trans-132.7126.3146.9-94-83.4000110.8
114N33.5Very low31.9Very low144 Ų144138 Ų13877%0.7780%0.796SS**  trans-91.2156.4169.2-92.5-20000110.1
115N29.7Very low31.8Very low150 Ų150135.7 Ų135.780%0.80279%0.79SS**  trans36.4109.4154.6-64.2-2.9000118.5
116S33.8Very low31.9Very low126 Ų126136.5 Ų136.588%0.88179%0.79SS**  -158.9154.1115.5-83.10000111.3
117S30.3Very low31.9Very low107 Ų107139.5 Ų139.575%0.74879%0.788SS**  trans-69.9147.2175.652.80000112.7
118L33Very low32.1Very low171 Ų171141.3 Ų141.390%0.89579%0.792SS**  trans-152.8145.8140.7-13973.6000111.1
119N31.2Very low32.2Very low167 Ų167142.9 Ų142.989%0.89380%0.796SS**  trans-67.5142.6170.8-88.5-10.1000110.6
120G32.9Very low32Very low69 Ų69140.5 Ų140.571%0.71179%0.791SS**  trans-170.773.517900000113.5I122G120-I122 PolarHBondContact O-N 2.8Å
121T29.3Very low32.2Very low137 Ų137141.5 Ų141.584%0.8479%0.792SS**  trans-70.4113.1177.5-500000111.3
122I34.7Very low32Very low153 Ų153142.5 Ų142.579%0.78580%0.796SS**  trans-134.8120.5165.6-60.4-177.7000108.7G120G120-I122 PolarHBondContact O-N 2.8Å
123N30.1Very low32.2Very low146 Ų146143.1 Ų143.178%0.78180%0.799SS**  trans-79135.7167.2-70.3-17.8000109.8
124T32.8Very low32.2Very low126 Ų126138.7 Ų138.777%0.77379%0.79SS**  trans-164.2131.913416.10000113.4
125T32Very low32Very low115 Ų115138.3 Ų138.371%0.70679%0.793SS**  trans54.9102138.7-43.30000120.3
126E32.2Very low32.3Very low163 Ų163137.1 Ų137.176%0.76279%0.791SS**  17.3125.6129.9-56.4177.6136.800119.5
127F30.2Very low32.2Very low186 Ų186136.6 Ų136.682%0.81678%0.783SS**  trans-144.488.7146.9-149.5-97.4000111.1Q129F127-Q129 HydrophobicContact CD1-CG 4.13Å; F127-Q129 HydrophobicContact CE1-CG 3.86Å
128I33.6Very low32.6Very low144 Ų144138.6 Ų138.674%0.73879%0.785SS**  trans-92.7104.1178.9-56.4175.7000109S130I128-S130 PolarHBondContact O-N 3.17Å
129Q33.2Very low32.9Very low167 Ų167137.8 Ų137.878%0.7878%0.782SS**  trans-83.489.7165.6-78-169.2-29.200110.1F127F127-Q129 HydrophobicContact CD1-CG 4.13Å; F127-Q129 HydrophobicContact CE1-CG 3.86Å
130S29.7Very low33.1Very low99 Ų99137.3 Ų137.369%0.69278%0.779SS**  trans-87110.4168.1-169.70000109.6I128 T132I128-S130 PolarHBondContact O-N 3.17Å; S130-T132 PolarHBondContact O-N 2.88Å
131T34.7Very low33.4Very low134 Ų134141.6 Ų141.682%0.82278%0.784SS**  trans-82109.2172.548.10000109.9
132T31.4Very low33.9Very low136 Ų136142.8 Ų142.883%0.83479%0.785SS**PPolyproline II helixtrans-65.8138.2177.835.80000112.5S130S130-T132 PolarHBondContact O-N 2.88Å
133L34.5Very low33.9Very low163 Ų163138.9 Ų138.985%0.85378%0.783SS**PPolyproline II helixtrans-96.2138.3166.2-158.666.8000107.8T135L133-T135 PolarHBondContact O-N 3.32Å
134P33.3Very low33.9Very low110 Ų110139.2 Ų139.271%0.71479%0.791SS**PPolyproline II helixtrans-74129.6-168.127.3-35.1000113.4
135T28.9Very low33.9Very low135 Ų135139.3 Ų139.383%0.82879%0.791SS**PPolyproline II helixtrans-67.5132.1164.8-43.60000109.9L133L133-T135 PolarHBondContact O-N 3.32Å
136V36.7Very low34.2Very low125 Ų125140.8 Ų140.876%0.75879%0.793SS**  trans-109.8114.6170.3-177.70000108.4
137T31.5Very low34.2Very low115 Ų115141.1 Ų141.171%0.70679%0.794SS**  trans-78129.8174.1-41.10000109.7
138N39Very low34.4Very low150 Ų150142.7 Ų142.780%0.80280%0.797SS**  trans-111.7144.7161.9-102.9-11.7000108.5
139N39.9Very low34.4Very low154 Ų154141.2 Ų141.282%0.82480%0.795SS**  trans-98.7139.3175.2-68.5-15.7000109.8
140D34.8Very low34.2Very low157 Ų157138.7 Ų138.784%0.8480%0.795SS**  trans-73.7139.3179.9-57.6-66.3000113.6
141I39.8Very low34.3Very low159 Ų159139.4 Ų139.482%0.81580%0.796SS**  trans-140.6111.7142.5-59.8-174.3000108.1
142N38.8Very low34.2Very low161 Ų161139 Ų13986%0.86179%0.793SS**SBendtrans44.3108.1164.3-64.5-0.7000119.6
143G35.1Very low34.2Very low71 Ų71140.3 Ų140.373%0.73279%0.794SS**  trans175.2102.6161.100000114T145G143-T145 PolarHBondContact O-N 2.63Å
144T30.9Very low34.2Very low154 Ų154137.2 Ų137.295%0.94579%0.786SS**  trans-52.6127.7-176.1-14.80000113.1
145T32.3Very low34.4Very low128 Ų128137.6 Ų137.679%0.78579%0.789SS**  trans-142141.6170.9-67.10000109.6G143G143-T145 PolarHBondContact O-N 2.63Å
146I37.2Very low34.5Very low146 Ų146138.4 Ų138.475%0.74979%0.787SS**  trans-83.9130-176.8-61.8169.4000109.9
147E32.1Very low34.6Very low169 Ų169138.9 Ų138.979%0.7978%0.784SS**  trans-71.2137.6177.5-67.6-169.3113.500112.7
148Y34.6Very low34.7Very low219 Ų219139.6 Ų139.686%0.85978%0.779SS**  trans-121.2107.3156.5-78.1-87000108.4S150Y148-S150 PolarHBondContact O-N 2.7Å
149T33.2Very low34.4Very low114 Ų114140.4 Ų140.470%0.69978%0.778SS**  trans-73.5109.2-176.934.20000111.6T151T149-T151 PolarHBondContact O-N 3.12Å
150S29.4Very low34Very low114 Ų114140.2 Ų140.280%0.79777%0.772SS**  trans-76.782178.6175.50000111.9Y148 T152Y148-S150 PolarHBondContact O-N 2.7Å; S150-T152 PolarHBondContact O-N 3.45Å; S150-T152 VanDerWaalsContact O-N 3.14Å
151T31.7Very low33.9Very low114 Ų114139.4 Ų139.470%0.69977%0.768SS**  trans-68.7106.6178.3-51.30000111.8T149 L153T149-T151 PolarHBondContact O-N 3.12Å; T151-L153 PolarHBondContact O-N 3.31Å; T151-L153 VanDerWaalsContact O-N 3.09Å
152T32.7Very low33.6Very low124 Ų124140.8 Ų140.876%0.76177%0.77SS**  trans-72.199.3176.250.80000111.4S150 S154S150-T152 PolarHBondContact O-N 3.45Å; S150-T152 VanDerWaalsContact O-N 3.14Å; T152-S154 PolarHBondContact O-N 3.2Å
153L32.7Very low33.5Very low164 Ų164140.9 Ų140.986%0.85977%0.77SS**  trans-76.4101.4174.7-83158.5000111.5T151T151-L153 PolarHBondContact O-N 3.31Å; T151-L153 VanDerWaalsContact O-N 3.09Å
154S33.3Very low33.5Very low98 Ų98143.6 Ų143.669%0.68577%0.768SS**  trans-63.6149.6168.2-65.50000111.7T152 L156T152-S154 PolarHBondContact O-N 3.2Å; S154-L156 PolarHBondContact O-N 3.28Å
155P36.7Very low33.5Very low118 Ų118145.3 Ų145.377%0.76676%0.762SS**  trans-66.2116.2177.926.9-34.1000111.3I157P155-I157 PolarHBondContact O-N 2.92Å
156L31.9Very low33.7Very low152 Ų152145.2 Ų145.280%0.79676%0.761SS**  trans-74.388.8179.6-173.870.3000111.2S154 E158S154-L156 PolarHBondContact O-N 3.28Å; L156-E158 HydrophobicContact CG-CB 4.38Å; L156-E158 PolarHBondContact O-N 2.97Å
157I38.8Very low33.8Very low136 Ų136144.8 Ų144.870%0.69776%0.76SS**  trans-89.388.7166.6-57.7-179.8000107.9P155 H159P155-I157 PolarHBondContact O-N 2.92Å; I157-H159 VanDerWaalsContact C-N 3.33Å; I157-H159 PolarHBondContact O-N 3.13Å
158E33.7Very low33.9Very low130 Ų130144 Ų14461%0.60776%0.762SS**  trans-77.376.9-174.8-165.5175.1-143.800112.4L156 H160L156-E158 HydrophobicContact CG-CB 4.38Å; L156-E158 PolarHBondContact O-N 2.97Å; E158-H160 VanDerWaalsContact C-N 3.29Å; E158-H160 VanDerWaalsContact CD-CD2 3.43Å; E158-H160 WeakPolarHBondContact CG-CD2 3.35Å; E158-H160 WeakPolarHBondContact CG-NE2 3.45Å; E158-H160 PolarHBondContact O-N 3.01Å; E158-H160 IonicContact OE1-CD2 3.4Å; E158-H160 PolarHBondContact OE1-CD2 3Å; E158-H160 IonicContact OE1-CE1 3.05Å; E158-H160 IonicContact OE1-NE2 2.73Å; E158-H160 PolarHBondContact OE1-NE2 3.5Å
159H32.7Very low33.9Very low166 Ų166138.4 Ų138.477%0.76975%0.754SS**  trans-80.669.2173.5-105.3-59.7000111.8I157 N161I157-H159 VanDerWaalsContact C-N 3.33Å; I157-H159 PolarHBondContact O-N 3.13Å; H159-N161 PolarHBondContact O-N 3.19Å
160H32.3Very low34.1Very low150 Ų150138 Ų13869%0.69476%0.756SS**  trans-64.7104.9170.5-84-49.8000111.1E158E158-H160 VanDerWaalsContact C-N 3.29Å; E158-H160 VanDerWaalsContact CD-CD2 3.43Å; E158-H160 WeakPolarHBondContact CG-CD2 3.35Å; E158-H160 WeakPolarHBondContact CG-NE2 3.45Å; E158-H160 PolarHBondContact O-N 3.01Å; E158-H160 IonicContact OE1-CD2 3.4Å; E158-H160 PolarHBondContact OE1-CD2 3Å; E158-H160 IonicContact OE1-CE1 3.05Å; E158-H160 IonicContact OE1-NE2 2.73Å; E158-H160 PolarHBondContact OE1-NE2 3.5Å
161N32.9Very low34.5Very low141 Ų141140 Ų14075%0.75476%0.756SS**  trans-155.659.5173.3-130.9-16.7000113.7H159H159-N161 PolarHBondContact O-N 3.19Å
162H31.9Very low34.7Very low188 Ų188142.1 Ų142.187%0.8776%0.764SS**  trans-158.7109.9164.7-119.3-85000111.9
163L36.9Very low34.8Very low162 Ų162141.3 Ų141.385%0.84876%0.763SS**  trans-178.4157.5136-99.3160.4000113.5
164N35.9Very low35.1Very low129 Ų129141.9 Ų141.969%0.6977%0.766SS**  trans-53.5119.5-161.8-72-51.9000119.2
165K31.4Very low35.3Very low190 Ų190146.2 Ų146.283%0.82677%0.773SS**  39.285.298.4-172.3-165-179.7-179.40116.9
166T36.3Very low35Very low125 Ų125145.8 Ų145.877%0.76777%0.772SS**  trans-148.2117.6148-21.80000114.6
167N38.2Very low35.3Very low137 Ų137144.6 Ų144.673%0.73377%0.771SS**  trans34.6118.7147.1-59.3-5.9000123.5
168N34.6Very low35Very low153 Ų153145.2 Ų145.282%0.81878%0.776SS**  81.7127.8123.4-76.3-2.6000123.9
169S35.2Very low35Very low101 Ų101149.1 Ų149.171%0.70679%0.791SS**  trans94.6104.2131.2-164.10000120.2
170S37.9Very low35Very low106 Ų106146 Ų14674%0.74179%0.789SS**  trans69.5152.5144.275.30000116.8
171I37.4Very low35Very low155 Ų155144.2 Ų144.280%0.79579%0.793SS**  cis-131.9148.713-69.4171.3000110
172N35.2Very low35.1Very low160 Ų160144.9 Ų144.986%0.85680%0.797SS**  trans-75.9123168.4-70.9-39.1000111.4
173S35.1Very low35.3Very low107 Ų107144.5 Ų144.575%0.74880%0.795SS**  trans162.4111.2138.8175.80000112.1
174L39.7Very low35.1Very low175 Ų175141.6 Ų141.692%0.91679%0.788SS**  -163.6142.4122-105.3161.4000109.2
175K36.8Very low35.2Very low190 Ų190141.9 Ų141.983%0.82679%0.794SS**  trans-124.1135.7-167.6-172.6-180-178-178.30109.1
176S31.5Very low35.6Very low109 Ų109139.6 Ų139.676%0.76279%0.791SS**  trans-14.1121.8176.8-179.10000116.8
177T36.5Very low35.5Very low126 Ų126138.7 Ų138.777%0.77379%0.79SS**  trans-122145.2156.347.30000109.4
178N34Very low35.4Very low150 Ų150137.1 Ų137.180%0.80279%0.79SS**  trans-79.1129.9-171.9-54.7-72.7000111.5S180N178-S180 PolarHBondContact O-N 3.11Å
179F33.2Very low35.4Very low211 Ų211140.1 Ų140.193%0.92579%0.79SS**  trans-78.8107.4155.2-90.1-84.6000108.6
180S32.6Very low35.4Very low102 Ų102146.1 Ų146.171%0.71380%0.797SS**  trans-73.1129.5-178.2-1670000111.2N178 N182N178-S180 PolarHBondContact O-N 3.11Å; S180-N182 PolarHBondContact O-N 3.35Å; S180-N182 VanDerWaalsContact O-N 3.14Å
181S32Very low35.1Very low111 Ų111149.3 Ų149.378%0.77680%0.8SS**  trans-78.492.1-178.459.80000112.1
182N34.7Very low35Very low156 Ų156145.7 Ų145.783%0.83479%0.788SS**  trans-105.851.7168.2-87.6-11.5000111.8S180 S184S180-N182 PolarHBondContact O-N 3.35Å; S180-N182 VanDerWaalsContact O-N 3.14Å; N182-S184 PolarHBondContact O-N 3.05Å
183H36.4Very low35.1Very low179 Ų179144.9 Ų144.983%0.82978%0.782SS**  trans-75.1108.2168.6-117.7-64.9000109.2T185H183-T185 PolarHBondContact O-N 3.34Å; H183-T185 VanDerWaalsContact O-N 3.13Å
184S33.5Very low35.4Very low101 Ų101147.2 Ų147.271%0.70678%0.779SS**  trans-58.7116.2178.4-179.60000110.9N182 N186N182-S184 PolarHBondContact O-N 3.05Å; S184-N186 PolarHBondContact O-N 3.05Å
185T37.2Very low35.3Very low135 Ų135139.8 Ų139.883%0.82875%0.745SS**THydrogen-bonded Turntrans-805.5-173.644.60000114H183H183-T185 PolarHBondContact O-N 3.34Å; H183-T185 VanDerWaalsContact O-N 3.13Å
186N39.5Very low36Very low143 Ų143136.7 Ų136.777%0.76573%0.728SS**THydrogen-bonded Turntrans-105.42.2-162.5-138.51.1000116.2S184 S188S184-N186 PolarHBondContact O-N 3.05Å; N186-S188 PolarHBondContact O-N 3.38Å; N186-S188 VanDerWaalsContact O-N 3.12Å
187S34.1Very low37Very low106 Ų106134.3 Ų134.374%0.74171%0.708SS**  trans-86.455.3169.5-161.50000111.8R189S187-R189 PolarHBondContact O-N 2.92Å
188S36.2Very low37.9Very low104 Ų104129.2 Ų129.273%0.72768%0.676SS**  trans-82.640.2-172.2-156.50000113.8N186N186-S188 PolarHBondContact O-N 3.38Å; N186-S188 VanDerWaalsContact O-N 3.12Å
189R33.8Very low38.9Very low215 Ų215122.8 Ų122.881%0.81164%0.642SS**  trans-105.356.8176.2-134.8179.8-162.9-158.24.8111.9S187 H191S187-R189 PolarHBondContact O-N 2.92Å; R189-H191 PolarHBondContact O-CD2 2.92Å; R189-H191 PolarHBondContact O-N 2.73Å; R189-H191 VanDerWaalsContact O-N 3.09Å
190R37Very low40.2Very low227 Ų227112.8 Ų112.886%0.85760%0.598SS**  trans-54.3117.5171.2-67.7-170.9-176.1-155.81.6109.6S192R190-S192 PolarHBondContact O-N 3.32Å
191H30.5Very low41.6Very low174 Ų174109.4 Ų109.481%0.80657%0.573SS**  trans-71.962.3168-72.9-98.7000110.3R189 I193R189-H191 PolarHBondContact O-CD2 2.92Å; R189-H191 PolarHBondContact O-N 2.73Å; R189-H191 VanDerWaalsContact O-N 3.09Å; H191-I193 VanDerWaalsContact C-N 3.31Å; H191-I193 PolarHBondContact O-N 3.4Å
192S36.2Very low43.4Very low78 Ų78104.2 Ų104.255%0.54554%0.537SS..  trans-73.685.9179.6-170.60000109.4R190 K194R190-S192 PolarHBondContact O-N 3.32Å; S192-K194 PolarHBondContact O-N 3.19Å
193I36Very low45.5Very low144 Ų144100 Ų10074%0.73851%0.509SS*.  trans-65.183.8162-59.3178.2000106.3H191 G195H191-I193 VanDerWaalsContact C-N 3.31Å; H191-I193 PolarHBondContact O-N 3.4Å; I193-G195 PolarHBondContact O-N 3.34Å
194K41.4Very low47.7Very low156 Ų15693.4 Ų93.468%0.67848%0.479SS*.  trans-81.441.4-166.7-146.6167.9-171.4172.60112.5S192S192-K194 PolarHBondContact O-N 3.19Å
195G38.6Very low49.9Very low19 Ų1993 Ų9320%0.19647%0.466CS..EExtended strand (participates in β ladder)trans-95.8158.7167.800000111.2I193 I362I193-G195 PolarHBondContact O-N 3.34Å; G195-I362 CarbonylContact C-O 3.56Å; G195-I362 VanDerWaalsContact CA-O 3.23Å; G195-I362 WeakPolarHBondContact CA-O 3.47Å
196R51.9Low52Low125 Ų12590 Ų9047%0.47246%0.461SS..EExtended strand (participates in β ladder)trans-104.8123.6165.1-66.2175.6179.6-160.4-2.7106.7I198 S259 I362R196-I198 HydrophobicContact CB-CG1 4.4Å; R196-I198 PolarHBondContact O-N 2.85Å; R196-S259 WeakPolarHBondContact CD-OG 3.4Å; R196-I362 PolarHBondContact N-O 2.78Å; R196-I362 PolarHBondContact O-N 3.22Å
197V50.8Low54Low58 Ų5884.3 Ų84.335%0.35243%0.433SS..EExtended strand (participates in β ladder)trans-72.4115.5163.3-1780000105.4L199 S259 V260 A359 L361V197-L199 HydrophobicContact CB-CD1 4.47Å; V197-L199 HydrophobicContact CG1-CD1 3.68Å; V197-L199 HydrophobicContact CG1-CG 4.15Å; V197-S259 WeakPolarHBondContact O-CA 3.4Å; V197-V260 PolarHBondContact N-O 2.85Å; V197-V260 PolarHBondContact O-N 2.04Å; V197-A359 HydrophobicContact CG1-CB 4.17Å; V197-L361 HydrophobicContact CG2-CD1 4.01Å
198I56.8Low56.2Low20 Ų2090.7 Ų90.710%0.10344%0.44CS..EExtended strand (participates in β ladder)trans-98.995.4170.3-60.6-164.7000106.6R196 L257 L258 A359 C360 I362R196-I198 HydrophobicContact CB-CG1 4.4Å; R196-I198 PolarHBondContact O-N 2.85Å; I198-L257 HydrophobicContact CG2-CB 4.37Å; I198-L257 HydrophobicContact CG2-CD2 3.44Å; I198-L257 VanDerWaalsContact CG2-CD2 3.44Å; I198-L258 WeakPolarHBondContact CA-O 3.47Å; I198-A359 CarbonylContact O-C 3.6Å; I198-A359 WeakPolarHBondContact O-CA 3.5Å; I198-C360 PolarHBondContact N-O 2.77Å; I198-C360 PolarHBondContact O-N 2.92Å; I198-I362 HydrophobicContact CD1-CD1 3.63Å; I198-I362 HydrophobicContact CD1-CG1 4.16Å; I198-I362 HydrophobicContact CG1-CD1 4.32Å; I198-I362 HydrophobicContact CG1-CG1 4.32Å
199L54.8Low58Low15 Ų1589.6 Ų89.68%0.07943%0.429CS..EExtended strand (participates in β ladder)trans-67.8137.7164.1-64.497000107.7V197 H256 L258 V260 L269 Y281 I342 A359V197-L199 HydrophobicContact CB-CD1 4.47Å; V197-L199 HydrophobicContact CG1-CD1 3.68Å; V197-L199 HydrophobicContact CG1-CG 4.15Å; L199-H256 VanDerWaalsContact O-O 3.09Å; L199-L258 HydrophobicContact CB-CB 4.14Å; L199-L258 PolarHBondContact N-O 2.89Å; L199-L258 WeakPolarHBondContact O-CB 3.22Å; L199-L258 PolarHBondContact O-N 3.47Å; L199-V260 HydrophobicContact CD1-CB 4.1Å; L199-V260 HydrophobicContact CD1-CG2 3.6Å; L199-L269 HydrophobicContact CB-CD2 4.33Å; L199-L269 HydrophobicContact CD1-CD2 3.88Å; L199-L269 HydrophobicContact CD2-CD2 4.21Å; L199-L269 HydrophobicContact CG-CD2 4.37Å; L199-Y281 HydrophobicContact CD2-CD1 3.97Å; L199-Y281 HydrophobicContact CD2-CE1 4.13Å; L199-I342 HydrophobicContact CD2-CD1 4.04Å; L199-A359 HydrophobicContact CB-CB 4.44Å; L199-A359 HydrophobicContact CG-CB 3.94Å
200A59.9Low59.9Low0 Ų085.4 Ų85.40%041%0.414CS..EExtended strand (participates in β ladder)trans-136.488.1-179.300000108.4T202 H256 Y358A200-T202 HydrophobicContact CB-CG2 3.62Å; A200-T202 VanDerWaalsContact O-CB 3.31Å; A200-T202 WeakPolarHBondContact O-CB 3.48Å; A200-T202 WeakPolarHBondContact O-CG2 3.41Å; A200-T202 PolarHBondContact O-N 3.36Å; A200-T202 VanDerWaalsContact O-N 3.08Å; A200-T202 PolarHBondContact O-OG1 3.39Å; A200-H256 WeakPolarHBondContact CA-O 3.3Å; A200-Y358 CarbonylContact C-O 3.52Å; A200-Y358 HydrophobicContact CB-CD2 4.16Å; A200-Y358 HydrophobicContact CB-CE2 3.65Å; A200-Y358 PolarHBondContact N-O 2.85Å
201T61.8Low62Low32 Ų3274.7 Ų74.720%0.19637%0.373CS..EExtended strand (participates in β ladder)trans-60.9113.2165.246.80000107.4G255 H256 M273 Y281T201-G255 WeakPolarHBondContact O-CA 3.25Å; T201-H256 PolarHBondContact O-N 2.9Å; T201-M273 HydrophobicContact CG2-SD 4.05Å; T201-Y281 HydrophobicContact CG2-CE1 4.14Å
202T70.8Confident64.4Low2 Ų266.5 Ų66.51%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-143.1155.3-157.440.20000112A200 G211 Q254 Y358A200-T202 HydrophobicContact CB-CG2 3.62Å; A200-T202 VanDerWaalsContact O-CB 3.31Å; A200-T202 WeakPolarHBondContact O-CB 3.48Å; A200-T202 WeakPolarHBondContact O-CG2 3.41Å; A200-T202 PolarHBondContact O-N 3.36Å; A200-T202 VanDerWaalsContact O-N 3.08Å; A200-T202 PolarHBondContact O-OG1 3.39Å; T202-G211 WeakPolarHBondContact O-CA 3.39Å; T202-G211 PolarHBondContact O-N 3.38Å; T202-Q254 CarbonylContact C-O 3.53Å; T202-Q254 WeakPolarHBondContact CA-O 3.41Å; T202-Y358 HydrophobicContact CG2-CD1 4.48Å; T202-Y358 HydrophobicContact CG2-CE1 3.64Å; T202-Y358 HydrophobicContact CG2-CE2 4.49Å; T202-Y358 WeakPolarHBondContact CG2-OH 3.49Å; T202-Y358 WeakPolarHBondContact OG1-CD1 3.3Å; T202-Y358 WeakPolarHBondContact OG1-CE1 3.38Å
203R79.2Confident66.9Low68 Ų6864 Ų6426%0.25732%0.317SS..EExtended strand (participates in β ladder)trans-154160.817962.9-174.8-170.7-176.1-0.9109.5S207 V209 W210 Y253 Q254R203-S207 WeakPolarHBondContact CD-O 3.5Å; R203-V209 WeakPolarHBondContact CB-O 3.41Å; R203-W210 HydrophobicContact CB-CE3 4.09Å; R203-W210 HydrophobicContact CG-CE3 4.2Å; R203-W210 HydrophobicContact CG-CZ3 4.27Å; R203-Y253 CarbonylContact O-C 3.47Å; R203-Y253 VanDerWaalsContact O-CA 3.25Å; R203-Y253 WeakPolarHBondContact O-CA 3.45Å; R203-Q254 HydrophobicContact CG-CB 4.2Å; R203-Q254 PolarHBondContact N-O 3.24Å; R203-Q254 PolarHBondContact O-N 3.07Å
204E82.2Confident69.1Low39 Ų3957.4 Ų57.418%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-62.5141.4167.5-73157.8144.200110.3G206 S207 L212 K216 L252 Y253 R355E204-G206 PolarHBondContact O-N 2.87Å; E204-S207 WeakPolarHBondContact O-CB 3.26Å; E204-S207 PolarHBondContact O-N 2.91Å; E204-L212 HydrophobicContact CG-CD2 3.98Å; E204-K216 WeakPolarHBondContact OE1-CD 3.44Å; E204-K216 WeakPolarHBondContact OE1-CE 3.15Å; E204-K216 IonicContact OE1-NZ 2.89Å; E204-K216 PolarHBondContact OE1-NZ 3.28Å; E204-K216 IonicContact OE2-NZ 2.69Å; E204-L252 CarbonylContact C-O 3.53Å; E204-L252 WeakPolarHBondContact CA-O 3.44Å; E204-Y253 HydrophobicContact CG-CD1 3.98Å; E204-Y253 HydrophobicContact CG-CE1 3.84Å; E204-R355 IonicContact OE2-CZ 3.81Å; E204-R355 IonicContact OE2-NH1 3.69Å; E204-R355 PolarHBondContact OE2-NH1 3.32Å; E204-R355 IonicContact OE2-NH2 2.75Å; E204-R355 PolarHBondContact OE2-NH2 2.85Å
205Q78.5Confident71.2Confident94 Ų9454.4 Ų54.444%0.43928%0.279SS..THydrogen-bonded Turntrans-60.4121.8179.9-176.7-17947.400109.9S207 D251 L252 Q254Q205-S207 VanDerWaalsContact C-N 3.31Å; Q205-D251 VanDerWaalsContact CB-O 3.29Å; Q205-D251 WeakPolarHBondContact CB-O 3.28Å; Q205-D251 PolarHBondContact OE1-O 3.34Å; Q205-L252 PolarHBondContact N-O 3.35Å; Q205-Q254 HydrophobicContact CB-CG 4.28Å; Q205-Q254 HydrophobicContact CG-CG 4.26Å
206G83Confident73.5Confident71 Ų7156.5 Ų56.573%0.73228%0.283SS*.THydrogen-bonded Turntrans85-8.9-173.400000115.3E204E204-G206 PolarHBondContact O-N 2.87Å
207S81.4Confident75Confident23 Ų2350.6 Ų50.616%0.16126%0.26CS..  trans-67.4137.3171.4-1800000111.1R203 E204 Q205 V209R203-S207 WeakPolarHBondContact CD-O 3.5Å; E204-S207 WeakPolarHBondContact O-CB 3.26Å; E204-S207 PolarHBondContact O-N 2.91Å; Q205-S207 VanDerWaalsContact C-N 3.31Å; S207-V209 PolarHBondContact OG-N 2.98Å; S207-V209 PolarHBondContact OG-O 3.49Å
208R79.9Confident76.4Confident240 Ų24049.8 Ų49.891%0.90625%0.253SS*.SBendtrans-79.9-20.7166.5-64.1-173.2179-143.80.6112.5
209V73.5Confident77.7Confident81 Ų8152.6 Ų52.649%0.49127%0.268SS..SBendtrans-92.1126.1-177.6-170.90000109.6R203 S207R203-V209 WeakPolarHBondContact CB-O 3.41Å; S207-V209 PolarHBondContact OG-N 2.98Å; S207-V209 PolarHBondContact OG-O 3.49Å
210W73.8Confident78.9Confident128 Ų12852 Ų5249%0.48527%0.265SS..  trans-76.2161.5171.8-70.4101.5000111.7R203R203-W210 HydrophobicContact CB-CE3 4.09Å; R203-W210 HydrophobicContact CG-CE3 4.2Å; R203-W210 HydrophobicContact CG-CZ3 4.27Å
211G80.2Confident79.6Confident1 Ų152.9 Ų52.91%0.0127%0.271CS..  trans85.5149.3-176.800000113.7T202 R355 L356T202-G211 WeakPolarHBondContact O-CA 3.39Å; T202-G211 PolarHBondContact O-N 3.38Å; G211-R355 PolarHBondContact O-NH1 2.83Å; G211-L356 CarbonylContact C-O 3.6Å; G211-L356 WeakPolarHBondContact CA-O 3.08Å
212L82.9Confident80.4Confident2 Ų257.3 Ų57.31%0.0129%0.289CS..BIsolated β-bridgetrans-115.4154.8171.3-63.1-163.8000109.6E204 K216 A217 A220 Y253 L356 Y358E204-L212 HydrophobicContact CG-CD2 3.98Å; L212-K216 HydrophobicContact CB-CB 3.96Å; L212-K216 HydrophobicContact CD1-CB 4.03Å; L212-K216 HydrophobicContact CG-CB 4.46Å; L212-A217 HydrophobicContact CB-CB 4.34Å; L212-A220 HydrophobicContact CD1-CB 4.23Å; L212-Y253 HydrophobicContact CD1-CD1 3.45Å; L212-Y253 VanDerWaalsContact CD1-CD1 3.45Å; L212-Y253 HydrophobicContact CD1-CD2 4.34Å; L212-Y253 HydrophobicContact CD1-CE1 3.72Å; L212-Y253 HydrophobicContact CD1-CG 3.8Å; L212-Y253 HydrophobicContact CD2-CD1 3.66Å; L212-Y253 HydrophobicContact CD2-CE1 3.96Å; L212-Y253 HydrophobicContact CG-CD1 4.25Å; L212-L356 PolarHBondContact N-O 2.9Å; L212-L356 PolarHBondContact O-N 3.22Å; L212-Y358 HydrophobicContact CB-CD1 4.24Å; L212-Y358 HydrophobicContact CB-CE1 4.4Å; L212-Y358 HydrophobicContact CD1-CD1 4.14Å; L212-Y358 HydrophobicContact CD1-CE1 3.47Å; L212-Y358 VanDerWaalsContact CD1-CE1 3.47Å; L212-Y358 HydrophobicContact CG-CD1 4.2Å; L212-Y358 HydrophobicContact CG-CE1 3.91Å
213T86.8Confident80.6Confident26 Ų2661.5 Ų61.516%0.1631%0.305CS..  trans-71.1157.4165.670.40000109.7T215 K216 A217 E353T213-T215 VanDerWaalsContact C-N 3.33Å; T213-T215 PolarHBondContact O-N 3.33Å; T213-K216 WeakPolarHBondContact O-CA 3.05Å; T213-K216 WeakPolarHBondContact O-CB 3.35Å; T213-K216 PolarHBondContact O-N 3.1Å; T213-K216 WeakPolarHBondContact OG1-CD 3.36Å; T213-K216 WeakPolarHBondContact OG1-CG 3.46Å; T213-A217 PolarHBondContact O-N 3.31Å; T213-E353 WeakPolarHBondContact CG2-O 3.31Å
214A83.6Confident80.2Confident5 Ų560.1 Ų60.14%0.04130%0.301CS..Hα-helixtrans-54.4-45.4-172.400000113.4K216 A217 E218 C337 C352A214-K216 VanDerWaalsContact C-N 3.27Å; A214-K216 PolarHBondContact O-N 3.42Å; A214-A217 WeakPolarHBondContact O-CB 3.43Å; A214-A217 PolarHBondContact O-N 2.91Å; A214-A217 VanDerWaalsContact O-N 3.13Å; A214-E218 WeakPolarHBondContact O-CG 3.32Å; A214-E218 PolarHBondContact O-N 2.87Å; A214-C337 WeakPolarHBondContact CB-SG 3.1Å; A214-C352 HydrophobicContact CB-CB 3.83Å; A214-C352 PolarHBondContact N-O 2.86Å
215T85.3Confident79.5Confident94 Ų9462.8 Ų62.858%0.57732%0.316SS*.Hα-helixtrans-60-35.1176.5-450000112.8T213 L219T213-T215 VanDerWaalsContact C-N 3.33Å; T213-T215 PolarHBondContact O-N 3.33Å; T215-L219 WeakPolarHBondContact O-CB 3.23Å; T215-L219 PolarHBondContact O-N 3.17Å; T215-L219 VanDerWaalsContact O-N 3.11Å
216K87.3Confident79.1Confident62 Ų6263.1 Ų63.127%0.2732%0.324SS..Hα-helixtrans-76.4-34.7177.2-65.8175.4-175.1-178.10111.3E204 L212 T213 A214 A220 Y253E204-K216 WeakPolarHBondContact OE1-CD 3.44Å; E204-K216 WeakPolarHBondContact OE1-CE 3.15Å; E204-K216 IonicContact OE1-NZ 2.89Å; E204-K216 PolarHBondContact OE1-NZ 3.28Å; E204-K216 IonicContact OE2-NZ 2.69Å; L212-K216 HydrophobicContact CB-CB 3.96Å; L212-K216 HydrophobicContact CD1-CB 4.03Å; L212-K216 HydrophobicContact CG-CB 4.46Å; T213-K216 WeakPolarHBondContact O-CA 3.05Å; T213-K216 WeakPolarHBondContact O-CB 3.35Å; T213-K216 PolarHBondContact O-N 3.1Å; T213-K216 WeakPolarHBondContact OG1-CD 3.36Å; T213-K216 WeakPolarHBondContact OG1-CG 3.46Å; A214-K216 VanDerWaalsContact C-N 3.27Å; A214-K216 PolarHBondContact O-N 3.42Å; K216-A220 WeakPolarHBondContact O-CB 3.49Å; K216-A220 PolarHBondContact O-N 3.03Å; K216-Y253 HydrophobicContact CB-CE1 4.17Å
217A82.6Confident78.2Confident1 Ų163.6 Ų63.61%0.00831%0.31CS..Hα-helixtrans-67.6-44.917300000112.1L212 T213 A214 L219 A220 C221 W282 Y358L212-A217 HydrophobicContact CB-CB 4.34Å; T213-A217 PolarHBondContact O-N 3.31Å; A214-A217 WeakPolarHBondContact O-CB 3.43Å; A214-A217 PolarHBondContact O-N 2.91Å; A214-A217 VanDerWaalsContact O-N 3.13Å; A217-L219 PolarHBondContact O-N 3.06Å; A217-A220 PolarHBondContact O-N 3.35Å; A217-A220 VanDerWaalsContact O-N 3.16Å; A217-C221 PolarHBondContact O-N 2.78Å; A217-C221 PolarHBondContact O-SG 2.89Å; A217-W282 HydrophobicContact CB-CE3 3.49Å; A217-W282 VanDerWaalsContact CB-CE3 3.49Å; A217-W282 HydrophobicContact CB-CZ3 3.55Å; A217-Y358 HydrophobicContact CB-CD1 3.48Å; A217-Y358 VanDerWaalsContact CB-CD1 3.48Å; A217-Y358 HydrophobicContact CB-CD2 4.4Å; A217-Y358 HydrophobicContact CB-CE1 4.12Å; A217-Y358 HydrophobicContact CB-CG 3.65Å
218E80.9Confident76.8Confident42 Ų4268.6 Ų68.620%0.19633%0.334CS..Hα-helixtrans-56.7-50.1172.2-75.4173.6177.900111.2A214 A220 C221 H222 W282 R286A214-E218 WeakPolarHBondContact O-CG 3.32Å; A214-E218 PolarHBondContact O-N 2.87Å; E218-A220 VanDerWaalsContact C-N 3.27Å; E218-A220 PolarHBondContact O-N 2.97Å; E218-C221 PolarHBondContact O-N 2.94Å; E218-H222 PolarHBondContact O-CD2 3Å; E218-H222 PolarHBondContact O-N 3.43Å; E218-W282 HydrophobicContact CG-CH2 3.34Å; E218-W282 HydrophobicContact CG-CZ2 4.02Å; E218-W282 HydrophobicContact CG-CZ3 4.11Å; E218-R286 IonicContact OE1-CZ 2.72Å; E218-R286 VanDerWaalsContact OE1-CZ 3.32Å; E218-R286 IonicContact OE1-NE 3.79Å; E218-R286 PolarHBondContact OE1-NE 2.91Å; E218-R286 IonicContact OE1-NH2 3.19Å; E218-R286 PolarHBondContact OE1-NH2 3.26Å; E218-R286 IonicContact OE2-CZ 3.99Å; E218-R286 IonicContact OE2-NH2 2.69Å; E218-R286 PolarHBondContact OE2-NH2 3.05Å
219L83Confident75.5Confident78 Ų7868.2 Ų68.241%0.40833%0.332SS..Hα-helixtrans-58.4-38.5176179.559.8000112.2T215 A217 R223 Y253T215-L219 WeakPolarHBondContact O-CB 3.23Å; T215-L219 PolarHBondContact O-N 3.17Å; T215-L219 VanDerWaalsContact O-N 3.11Å; A217-L219 PolarHBondContact O-N 3.06Å; L219-R223 WeakPolarHBondContact O-CB 3.31Å; L219-R223 VanDerWaalsContact O-CG 3.22Å; L219-R223 WeakPolarHBondContact O-CG 3.25Å; L219-R223 PolarHBondContact O-N 3.39Å; L219-Y253 HydrophobicContact CD2-CE2 4.49Å
220A79.5Confident74.5Confident4 Ų468.3 Ų68.33%0.03333%0.329CS..Hα-helixtrans-71.4-41.3177.500000112.6L212 K216 A217 E218 R223 F224 Y253 Y358L212-A220 HydrophobicContact CD1-CB 4.23Å; K216-A220 WeakPolarHBondContact O-CB 3.49Å; K216-A220 PolarHBondContact O-N 3.03Å; A217-A220 PolarHBondContact O-N 3.35Å; A217-A220 VanDerWaalsContact O-N 3.16Å; E218-A220 VanDerWaalsContact C-N 3.27Å; E218-A220 PolarHBondContact O-N 2.97Å; A220-R223 WeakPolarHBondContact O-CB 3.14Å; A220-R223 PolarHBondContact O-N 3.3Å; A220-F224 VanDerWaalsContact O-CD2 3.26Å; A220-F224 WeakPolarHBondContact O-CD2 3.45Å; A220-F224 PolarHBondContact O-N 3.14Å; A220-Y253 HydrophobicContact CB-CD2 3.66Å; A220-Y253 HydrophobicContact CB-CE2 4.05Å; A220-Y253 HydrophobicContact CB-CG 4.33Å; A220-Y358 HydrophobicContact CB-CE1 4.14Å; A220-Y358 WeakPolarHBondContact CB-OH 3.41Å
221C75.9Confident73.1Confident18 Ų1864.8 Ų64.812%0.12232%0.322CS..Hα-helixtrans-61.5-44.2172.7-690000112A217 E218 R223 F224 I225 C360A217-C221 PolarHBondContact O-N 2.78Å; A217-C221 PolarHBondContact O-SG 2.89Å; E218-C221 PolarHBondContact O-N 2.94Å; C221-R223 PolarHBondContact O-N 2.97Å; C221-F224 PolarHBondContact O-N 3.5Å; C221-I225 WeakPolarHBondContact O-CG1 3.4Å; C221-I225 PolarHBondContact O-N 3.49Å; C221-C360 WeakPolarHBondContact CA-SG 3.44Å; C221-C360 HydrophobicContact CB-CB 3.91Å; C221-C360 WeakPolarHBondContact CB-SG 3.41Å; C221-C360 WeakPolarHBondContact SG-CB 3.41Å; C221-C360 CovalentContact SG-SG 2.04Å; C221-C360 PolarHBondContact SG-SG 3.28Å
222H77.5Confident71.1Confident125 Ų12568 Ų6858%0.57935%0.345SS*.Hα-helixtrans-60-44172.8-79.7-66.6000111.8E218 F224 I225 T226E218-H222 PolarHBondContact O-CD2 3Å; E218-H222 PolarHBondContact O-N 3.43Å; H222-F224 VanDerWaalsContact C-N 3.34Å; H222-F224 PolarHBondContact O-N 3.42Å; H222-I225 PolarHBondContact O-N 3.22Å; H222-T226 PolarHBondContact O-N 3.41Å; H222-T226 PolarHBondContact O-OG1 3.03Å
223R76.4Confident69Low90 Ų9071.8 Ų71.834%0.3437%0.369SS..Hα-helixtrans-59.5-40174.9-77.9171.7178.2-137.72.7112.6L219 A220 C221 T226 N227 T250L219-R223 WeakPolarHBondContact O-CB 3.31Å; L219-R223 VanDerWaalsContact O-CG 3.22Å; L219-R223 WeakPolarHBondContact O-CG 3.25Å; L219-R223 PolarHBondContact O-N 3.39Å; A220-R223 WeakPolarHBondContact O-CB 3.14Å; A220-R223 PolarHBondContact O-N 3.3Å; C221-R223 PolarHBondContact O-N 2.97Å; R223-T226 WeakPolarHBondContact CA-OG1 3.32Å; R223-T226 PolarHBondContact O-N 2.84Å; R223-T226 PolarHBondContact O-OG1 2.95Å; R223-N227 WeakPolarHBondContact O-CB 3.33Å; R223-N227 PolarHBondContact O-N 3.28Å; R223-N227 PolarHBondContact O-ND2 3Å; R223-T250 PolarHBondContact NH1-O 3.3Å
224F70.6Confident66.8Low38 Ų3878.1 Ų78.117%0.16740%0.401CS..Hα-helixtrans-63.3-42174.9-80.9-57.2000112.3A220 C221 H222 N227 I230 L257 Y358A220-F224 VanDerWaalsContact O-CD2 3.26Å; A220-F224 WeakPolarHBondContact O-CD2 3.45Å; A220-F224 PolarHBondContact O-N 3.14Å; C221-F224 PolarHBondContact O-N 3.5Å; H222-F224 VanDerWaalsContact C-N 3.34Å; H222-F224 PolarHBondContact O-N 3.42Å; F224-N227 PolarHBondContact O-N 3.45Å; F224-I230 HydrophobicContact CD1-CD1 3.77Å; F224-I230 HydrophobicContact CE1-CD1 3.96Å; F224-L257 HydrophobicContact CD1-CD2 4.15Å; F224-L257 HydrophobicContact CE1-CD1 4.41Å; F224-L257 HydrophobicContact CE1-CD2 3.71Å; F224-L257 HydrophobicContact CE1-CG 4.38Å; F224-L257 HydrophobicContact CE2-CD2 4.33Å; F224-L257 HydrophobicContact CZ-CD2 3.8Å; F224-Y358 WeakPolarHBondContact CE2-OH 3.35Å
225I67.8Low64.6Low96 Ų9684.1 Ų84.149%0.49243%0.432SS..Hα-helixtrans-63.5-45.5176.9-65.4164.8000110.9C221 H222 N227C221-I225 WeakPolarHBondContact O-CG1 3.4Å; C221-I225 PolarHBondContact O-N 3.49Å; H222-I225 PolarHBondContact O-N 3.22Å; I225-N227 VanDerWaalsContact C-N 3.28Å; I225-N227 PolarHBondContact O-N 3.03Å
226T69.4Low62.2Low101 Ų10187 Ų8762%0.6244%0.444SS*.Hα-helixtrans-69.6-22178.9560000114H222 R223 L228H222-T226 PolarHBondContact O-N 3.41Å; H222-T226 PolarHBondContact O-OG1 3.03Å; R223-T226 WeakPolarHBondContact CA-OG1 3.32Å; R223-T226 PolarHBondContact O-N 2.84Å; R223-T226 PolarHBondContact O-OG1 2.95Å; T226-L228 VanDerWaalsContact C-N 3.3Å; T226-L228 PolarHBondContact O-N 3.11Å
227N63.7Low59.8Low81 Ų8192.1 Ų92.143%0.43347%0.469SS..  trans-77.781.4177-91.1-76.6000110.7R223 F224 I225 R229 I230 T231R223-N227 WeakPolarHBondContact O-CB 3.33Å; R223-N227 PolarHBondContact O-N 3.28Å; R223-N227 PolarHBondContact O-ND2 3Å; F224-N227 PolarHBondContact O-N 3.45Å; I225-N227 VanDerWaalsContact C-N 3.28Å; I225-N227 PolarHBondContact O-N 3.03Å; N227-R229 PolarHBondContact O-N 3.39Å; N227-I230 HydrophobicContact CB-CD1 4.28Å; N227-I230 PolarHBondContact O-N 3.03Å; N227-T231 PolarHBondContact O-N 3.18Å; N227-T231 PolarHBondContact O-OG1 2.85Å
228L51.2Low57.8Low127 Ų12797.8 Ų97.867%0.66550%0.504SS*.Hα-helixtrans-43.1-28.1173.9-84.6133.4000114.5T226 I230 T231 S232T226-L228 VanDerWaalsContact C-N 3.3Å; T226-L228 PolarHBondContact O-N 3.11Å; L228-I230 VanDerWaalsContact C-N 3.28Å; L228-I230 PolarHBondContact O-N 3.36Å; L228-T231 WeakPolarHBondContact CA-OG1 3.26Å; L228-S232 WeakPolarHBondContact O-CB 3.42Å; L228-S232 PolarHBondContact O-N 3.14Å; L228-S232 PolarHBondContact O-OG 3.2Å
229R52.6Low55.9Low232 Ų232105.7 Ų105.788%0.87554%0.538SS*.Hα-helixtrans-69.8-20.5178.2-152.6177.4-161.7166.17.1114.3N227N227-R229 PolarHBondContact O-N 3.39Å
230I52.6Low53.9Low83 Ų83109.1 Ų109.143%0.42656%0.556SS.*Hα-helixtrans-101.8-35.2177.6-59.5172.2000110.2F224 N227 L228 L257F224-I230 HydrophobicContact CD1-CD1 3.77Å; F224-I230 HydrophobicContact CE1-CD1 3.96Å; N227-I230 HydrophobicContact CB-CD1 4.28Å; N227-I230 PolarHBondContact O-N 3.03Å; L228-I230 VanDerWaalsContact C-N 3.28Å; L228-I230 PolarHBondContact O-N 3.36Å; I230-L257 HydrophobicContact CG2-CD1 4.1Å
231T44.4Very low52.4Low55 Ų55115.3 Ų115.334%0.33759%0.593SS.*Hα-helixtrans-84.6-18.4-179.249.20000114.4N227 L228 P233N227-T231 PolarHBondContact O-N 3.18Å; N227-T231 PolarHBondContact O-OG1 2.85Å; L228-T231 WeakPolarHBondContact CA-OG1 3.26Å; T231-P233 WeakPolarHBondContact O-CD 3.45Å
232S38.8Very low50.8Low69 Ų69120.1 Ų120.148%0.48363%0.628SS.*SBendtrans-66121.1173.7-69.50000111.6L228 L234L228-S232 WeakPolarHBondContact O-CB 3.42Å; L228-S232 PolarHBondContact O-N 3.14Å; L228-S232 PolarHBondContact O-OG 3.2Å; S232-L234 PolarHBondContact O-N 3.23Å
233P38.7Very low49.6Very low80 Ų80118.4 Ų118.452%0.51963%0.629SS.*  trans-81.792.4-174.532.8-35.6000112.5T231 N235T231-P233 WeakPolarHBondContact O-CD 3.45Å; P233-N235 PolarHBondContact O-N 2.9Å
234L40.6Very low48.2Very low160 Ų160123.3 Ų123.384%0.83865%0.653SS**  trans51.224155.2-84.7149.4000116.8S232 N236S232-L234 PolarHBondContact O-N 3.23Å; L234-N236 PolarHBondContact O-N 2.82Å
235N38.4Very low47.2Very low130 Ų130131.5 Ų131.570%0.69568%0.683SS**  trans-77.7121.7179.7-163.74.7000109.5P233 Q237P233-N235 PolarHBondContact O-N 2.9Å; N235-Q237 PolarHBondContact O-N 3.16Å
236N33.8Very low46Very low154 Ų154134.1 Ų134.182%0.82470%0.698SS**  trans-75.949.1-172.5-89.6-25.8000113.4L234 T238L234-N236 PolarHBondContact O-N 2.82Å; N236-T238 PolarHBondContact O-N 3.33Å
237Q37.9Very low44.9Very low170 Ų170136.6 Ų136.679%0.79471%0.707SS**  trans-78.189.5167.5-76.5-166.5-19.600110.7N235N235-Q237 PolarHBondContact O-N 3.16Å
238T40Very low44.1Very low120 Ų120141.5 Ų141.574%0.73672%0.724SS**  trans10.1118.3149.8-440000116.6N236 N240N236-T238 PolarHBondContact O-N 3.33Å; T238-N240 PolarHBondContact O-N 3.25Å
239K40.5Very low43.7Very low209 Ų209139.7 Ų139.791%0.90973%0.727SS**SBendtrans-53.998.4171.8-63.4172.2-179.3173.10111.4
240N42Very low43.6Very low149 Ų149132.4 Ų132.480%0.79771%0.709SS**  trans-157.439.2169.7-112.5-12.2000115.4T238T238-N240 PolarHBondContact O-N 3.25Å
241V48.3Very low43.7Very low134 Ų134133.5 Ų133.581%0.81272%0.715SS**  trans-120.991.6167-1760000109.4S243V241-S243 PolarHBondContact O-N 2.95Å
242S42.5Very low44.9Very low120 Ų120134.2 Ų134.284%0.83972%0.717SS**  trans-82.314179.9500000114.1K244S242-K244 PolarHBondContact O-N 3.46Å
243S51.7Low46.5Very low88 Ų88132.9 Ų132.962%0.61570%0.701SS**  trans-69.589.1179.2-170.60000111.3V241 R245V241-S243 PolarHBondContact O-N 2.95Å; S243-R245 PolarHBondContact O-N 2.97Å
244K46.2Very low48Very low193 Ų193132.7 Ų132.784%0.83969%0.694SS**  trans-71.766.1177.5-167.8-178.5-178.8-177.80110.7S242 N246S242-K244 PolarHBondContact O-N 3.46Å; K244-N246 PolarHBondContact O-N 3.41Å
245R50.3Low49.1Very low210 Ų210126.6 Ų126.679%0.79267%0.67SS**  trans-58.3122.4172-83.2-163.2-85-170.7-6.1109.1S243 L247S243-R245 PolarHBondContact O-N 2.97Å; R245-L247 PolarHBondContact O-N 3.19Å
246N41.9Very low50.2Low151 Ų151126.3 Ų126.381%0.80766%0.664SS**  trans-69.978.1173.2-79.5-30.7000110.3K244 K248K244-N246 PolarHBondContact O-N 3.41Å; N246-K248 PolarHBondContact O-N 2.85Å; N246-K248 VanDerWaalsContact O-N 3.14Å
247L47.5Very low51.3Low153 Ų153122.9 Ų122.980%0.80165%0.645SS**  trans-59.1111.1155.5-72.6157.2000106.4R245R245-L247 PolarHBondContact O-N 3.19Å
248K45.7Very low52.1Low185 Ų185116.9 Ų116.980%0.80462%0.619SS**  trans-55.1146.2169.7-81-174.1173.5-178.20108.3N246 T250N246-K248 PolarHBondContact O-N 2.85Å; N246-K248 VanDerWaalsContact O-N 3.14Å; K248-T250 PolarHBondContact O-N 3.02Å
249A44.1Very low52.9Low88 Ų88113.6 Ų113.673%0.72760%0.601SS**SBendtrans-69.966.2-17600000113
250T49.6Very low53.7Low80 Ų80104.3 Ų104.349%0.49156%0.561SS.*  trans-114.741.5167.557.10000109.8R223 K248 L252R223-T250 PolarHBondContact NH1-O 3.3Å; K248-T250 PolarHBondContact O-N 3.02Å; T250-L252 HydrophobicContact CG2-CD1 4.45Å; T250-L252 PolarHBondContact O-N 2.94Å
251D53.9Low54.3Low105 Ų105101.8 Ų101.856%0.56155%0.551SS**  trans-66.254.1162.2-72.3-33.5000109.5Q205 Y253Q205-D251 VanDerWaalsContact CB-O 3.29Å; Q205-D251 WeakPolarHBondContact CB-O 3.28Å; Q205-D251 PolarHBondContact OE1-O 3.34Å; D251-Y253 PolarHBondContact O-N 3.26Å
252L70.4Confident54.6Low71 Ų7197.4 Ų97.437%0.37253%0.526SS..  trans-63.8-14.6-154.5-140.181.8000113.7E204 Q205 T250E204-L252 CarbonylContact C-O 3.53Å; E204-L252 WeakPolarHBondContact CA-O 3.44Å; Q205-L252 PolarHBondContact N-O 3.35Å; T250-L252 HydrophobicContact CG2-CD1 4.45Å; T250-L252 PolarHBondContact O-N 2.94Å
253Y73Confident55.3Low40 Ų4097.6 Ų97.616%0.15752%0.518CS..EExtended strand (participates in β ladder)trans-132.3124.3-175.5-48.4-58.5000110.4R203 E204 L212 K216 L219 A220 D251R203-Y253 CarbonylContact O-C 3.47Å; R203-Y253 VanDerWaalsContact O-CA 3.25Å; R203-Y253 WeakPolarHBondContact O-CA 3.45Å; E204-Y253 HydrophobicContact CG-CD1 3.98Å; E204-Y253 HydrophobicContact CG-CE1 3.84Å; L212-Y253 HydrophobicContact CD1-CD1 3.45Å; L212-Y253 VanDerWaalsContact CD1-CD1 3.45Å; L212-Y253 HydrophobicContact CD1-CD2 4.34Å; L212-Y253 HydrophobicContact CD1-CE1 3.72Å; L212-Y253 HydrophobicContact CD1-CG 3.8Å; L212-Y253 HydrophobicContact CD2-CD1 3.66Å; L212-Y253 HydrophobicContact CD2-CE1 3.96Å; L212-Y253 HydrophobicContact CG-CD1 4.25Å; K216-Y253 HydrophobicContact CB-CE1 4.17Å; L219-Y253 HydrophobicContact CD2-CE2 4.49Å; A220-Y253 HydrophobicContact CB-CD2 3.66Å; A220-Y253 HydrophobicContact CB-CE2 4.05Å; A220-Y253 HydrophobicContact CB-CG 4.33Å; D251-Y253 PolarHBondContact O-N 3.26Å
254Q69Low55.8Low76 Ų7698.2 Ų98.236%0.35552%0.515SS..EExtended strand (participates in β ladder)trans-91.5144.7165.7-69.7178.4-18.700108.8T202 R203 Q205T202-Q254 CarbonylContact C-O 3.53Å; T202-Q254 WeakPolarHBondContact CA-O 3.41Å; R203-Q254 HydrophobicContact CG-CB 4.2Å; R203-Q254 PolarHBondContact N-O 3.24Å; R203-Q254 PolarHBondContact O-N 3.07Å; Q205-Q254 HydrophobicContact CB-CG 4.28Å; Q205-Q254 HydrophobicContact CG-CG 4.26Å
255G65Low56.5Low33 Ų3393 Ų9334%0.3449%0.493SS..EExtended strand (participates in β ladder)trans-175.2161.1170.700000115.2T201T201-G255 WeakPolarHBondContact O-CA 3.25Å
256H60.1Low56.9Low123 Ų12386.2 Ų86.257%0.56947%0.472SS*.EExtended strand (participates in β ladder)trans-98.4121.4-179.2-65.7-89.1000110.7L199 A200 T201 L258L199-H256 VanDerWaalsContact O-O 3.09Å; A200-H256 WeakPolarHBondContact CA-O 3.3Å; T201-H256 PolarHBondContact O-N 2.9Å; H256-L258 PolarHBondContact O-N 2.69Å
257L56.6Low57.8Low83 Ų8383.6 Ų83.644%0.43546%0.457SS..EExtended strand (participates in β ladder)trans-78.9107-179.8-69.1169.2000110.8I198 F224 I230I198-L257 HydrophobicContact CG2-CB 4.37Å; I198-L257 HydrophobicContact CG2-CD2 3.44Å; I198-L257 VanDerWaalsContact CG2-CD2 3.44Å; F224-L257 HydrophobicContact CD1-CD2 4.15Å; F224-L257 HydrophobicContact CE1-CD1 4.41Å; F224-L257 HydrophobicContact CE1-CD2 3.71Å; F224-L257 HydrophobicContact CE1-CG 4.38Å; F224-L257 HydrophobicContact CE2-CD2 4.33Å; F224-L257 HydrophobicContact CZ-CD2 3.8Å; I230-L257 HydrophobicContact CG2-CD1 4.1Å
258L56.4Low58.5Low44 Ų4482.7 Ų82.723%0.2345%0.448CS..EExtended strand (participates in β ladder)trans-111.593.9-179-66.4158.5000109.5I198 L199 H256 V260 L269I198-L258 WeakPolarHBondContact CA-O 3.47Å; L199-L258 HydrophobicContact CB-CB 4.14Å; L199-L258 PolarHBondContact N-O 2.89Å; L199-L258 WeakPolarHBondContact O-CB 3.22Å; L199-L258 PolarHBondContact O-N 3.47Å; H256-L258 PolarHBondContact O-N 2.69Å; L258-V260 PolarHBondContact O-N 3.26Å; L258-L269 HydrophobicContact CB-CD2 4.09Å; L258-L269 HydrophobicContact CD1-CD1 3.64Å; L258-L269 HydrophobicContact CD1-CD2 4.08Å; L258-L269 HydrophobicContact CD1-CG 4.49Å; L258-L269 HydrophobicContact CD2-CD1 3.85Å; L258-L269 HydrophobicContact CG-CD1 4.2Å
259S56.3Low59.2Low51 Ų5174.4 Ų74.436%0.35741%0.413SS..EExtended strand (participates in β ladder)trans-79.8100.2178.4168.10000110.4R196 V197R196-S259 WeakPolarHBondContact CD-OG 3.4Å; V197-S259 WeakPolarHBondContact O-CA 3.4Å
260V56.8Low60Low14 Ų1471.7 Ų71.79%0.08539%0.387CS..EExtended strand (participates in β ladder)trans-98.4137.3178.9179.80000111V197 L199 L258 S262 E265 I266 L269V197-V260 PolarHBondContact N-O 2.85Å; V197-V260 PolarHBondContact O-N 2.04Å; L199-V260 HydrophobicContact CD1-CB 4.1Å; L199-V260 HydrophobicContact CD1-CG2 3.6Å; L258-V260 PolarHBondContact O-N 3.26Å; V260-S262 WeakPolarHBondContact CG1-O 3.29Å; V260-E265 HydrophobicContact CG1-CB 3.79Å; V260-I266 HydrophobicContact CG1-CB 4.41Å; V260-I266 HydrophobicContact CG1-CG1 3.49Å; V260-I266 VanDerWaalsContact CG1-CG1 3.49Å; V260-L269 HydrophobicContact CG2-CD2 3.8Å
261T55.1Low60.6Low95 Ų9573.3 Ų73.358%0.58339%0.393SS*.  trans-134.6-15.2-170.774.90000114.9E265T261-E265 VanDerWaalsContact CA-OE2 3.29Å; T261-E265 WeakPolarHBondContact CA-OE2 3.34Å; T261-E265 VanDerWaalsContact CB-OE2 3.31Å; T261-E265 WeakPolarHBondContact CB-OE2 3.09Å; T261-E265 PolarHBondContact N-OE2 2.93Å; T261-E265 PolarHBondContact OG1-OE2 3.47Å
262S54.6Low60.9Low42 Ų4275.2 Ų75.229%0.29440%0.402SS..SBendtrans-133167.7168.285.90000112.4V260 D264 E265 I266V260-S262 WeakPolarHBondContact CG1-O 3.29Å; S262-D264 VanDerWaalsContact C-N 3.3Å; S262-D264 PolarHBondContact OG-N 2.88Å; S262-D264 PolarHBondContact OG-OD2 3.23Å; S262-E265 PolarHBondContact N-OE2 3.03Å; S262-E265 PolarHBondContact O-N 2.8Å; S262-E265 PolarHBondContact OG-N 2.88Å; S262-E265 VanDerWaalsContact OG-N 3.12Å; S262-I266 PolarHBondContact O-N 2.86Å
263N56.7Low60Low124 Ų12474 Ų7466%0.66340%0.395SS*.Hα-helixtrans-65-35.2172.5-69.4-7.1000111.5E265 I266 I267N263-E265 VanDerWaalsContact C-N 3.3Å; N263-E265 PolarHBondContact O-N 3.33Å; N263-I266 WeakPolarHBondContact O-CA 3.44Å; N263-I266 WeakPolarHBondContact O-CB 3.34Å; N263-I266 PolarHBondContact O-N 3.17Å; N263-I267 WeakPolarHBondContact O-CG1 3.36Å; N263-I267 PolarHBondContact O-N 2.92Å
264D62.1Low59.6Low102 Ų10274.5 Ų74.555%0.54541%0.412SS..Hα-helixtrans-63.9-37.4175.5-33.8-79.6000111.1S262 I266 I267 H268S262-D264 VanDerWaalsContact C-N 3.3Å; S262-D264 PolarHBondContact OG-N 2.88Å; S262-D264 PolarHBondContact OG-OD2 3.23Å; D264-I266 VanDerWaalsContact C-N 3.32Å; D264-I267 PolarHBondContact O-N 3.29Å; D264-H268 WeakPolarHBondContact O-CB 3.34Å; D264-H268 PolarHBondContact O-CD2 3.36Å; D264-H268 VanDerWaalsContact O-CD2 3.28Å; D264-H268 PolarHBondContact O-N 3.24Å
265E60.5Low59.1Low82 Ų8277.8 Ų77.838%0.38344%0.437SS..Hα-helixtrans-68.4-28172.3-73.5-178.2159.400112.6V260 T261 S262 N263 L269V260-E265 HydrophobicContact CG1-CB 3.79Å; T261-E265 VanDerWaalsContact CA-OE2 3.29Å; T261-E265 WeakPolarHBondContact CA-OE2 3.34Å; T261-E265 VanDerWaalsContact CB-OE2 3.31Å; T261-E265 WeakPolarHBondContact CB-OE2 3.09Å; T261-E265 PolarHBondContact N-OE2 2.93Å; T261-E265 PolarHBondContact OG1-OE2 3.47Å; S262-E265 PolarHBondContact N-OE2 3.03Å; S262-E265 PolarHBondContact O-N 2.8Å; S262-E265 PolarHBondContact OG-N 2.88Å; S262-E265 VanDerWaalsContact OG-N 3.12Å; N263-E265 VanDerWaalsContact C-N 3.3Å; N263-E265 PolarHBondContact O-N 3.33Å; E265-L269 WeakPolarHBondContact O-CB 3.08Å; E265-L269 PolarHBondContact O-N 3.32Å
266I59.5Low58.6Low69 Ų6976.9 Ų76.935%0.35443%0.425SS..Hα-helixtrans-65-52.3167-57.7172000109.1V260 S262 N263 D264 H268 L269 V270V260-I266 HydrophobicContact CG1-CB 4.41Å; V260-I266 HydrophobicContact CG1-CG1 3.49Å; V260-I266 VanDerWaalsContact CG1-CG1 3.49Å; S262-I266 PolarHBondContact O-N 2.86Å; N263-I266 WeakPolarHBondContact O-CA 3.44Å; N263-I266 WeakPolarHBondContact O-CB 3.34Å; N263-I266 PolarHBondContact O-N 3.17Å; D264-I266 VanDerWaalsContact C-N 3.32Å; I266-H268 PolarHBondContact O-N 3.5Å; I266-L269 CarbonylContact O-C 3.49Å; I266-L269 WeakPolarHBondContact O-CA 2.91Å; I266-L269 WeakPolarHBondContact O-CB 3.12Å; I266-L269 PolarHBondContact O-N 3.41Å; I266-V270 HydrophobicContact CG2-CG2 4.37Å; I266-V270 VanDerWaalsContact O-CG2 3.23Å; I266-V270 WeakPolarHBondContact O-CG2 3.19Å; I266-V270 PolarHBondContact O-N 3.45Å
267I60.9Low58.3Low95 Ų9575.2 Ų75.249%0.48743%0.426SS..Hα-helixtrans-61.6-47.1-176.3-65.8164.7000111.2N263 D264 L269 V270 N271N263-I267 WeakPolarHBondContact O-CG1 3.36Å; N263-I267 PolarHBondContact O-N 2.92Å; D264-I267 PolarHBondContact O-N 3.29Å; I267-L269 PolarHBondContact O-N 3.02Å; I267-V270 PolarHBondContact O-N 2.99Å; I267-N271 VanDerWaalsContact O-CG 3.29Å; I267-N271 PolarHBondContact O-N 3.22Å; I267-N271 PolarHBondContact O-ND2 3.45Å
268H61.5Low58.3Low134 Ų13475.9 Ų75.962%0.6243%0.433SS*.Hα-helixtrans-59.5-35.6172.5-86.5-70.9000112.2D264 I266 L272D264-H268 WeakPolarHBondContact O-CB 3.34Å; D264-H268 PolarHBondContact O-CD2 3.36Å; D264-H268 VanDerWaalsContact O-CD2 3.28Å; D264-H268 PolarHBondContact O-N 3.24Å; I266-H268 PolarHBondContact O-N 3.5Å; H268-L272 WeakPolarHBondContact O-CB 3.41Å; H268-L272 PolarHBondContact O-N 3.36Å
269L60.7Low58.2Low11 Ų1174.6 Ų74.66%0.05843%0.431CS..Hα-helixtrans-69.5-39.7174.4176.559.2000112.5L199 L258 V260 E265 I266 I267 N271 L272 M273L199-L269 HydrophobicContact CB-CD2 4.33Å; L199-L269 HydrophobicContact CD1-CD2 3.88Å; L199-L269 HydrophobicContact CD2-CD2 4.21Å; L199-L269 HydrophobicContact CG-CD2 4.37Å; L258-L269 HydrophobicContact CB-CD2 4.09Å; L258-L269 HydrophobicContact CD1-CD1 3.64Å; L258-L269 HydrophobicContact CD1-CD2 4.08Å; L258-L269 HydrophobicContact CD1-CG 4.49Å; L258-L269 HydrophobicContact CD2-CD1 3.85Å; L258-L269 HydrophobicContact CG-CD1 4.2Å; V260-L269 HydrophobicContact CG2-CD2 3.8Å; E265-L269 WeakPolarHBondContact O-CB 3.08Å; E265-L269 PolarHBondContact O-N 3.32Å; I266-L269 CarbonylContact O-C 3.49Å; I266-L269 WeakPolarHBondContact O-CA 2.91Å; I266-L269 WeakPolarHBondContact O-CB 3.12Å; I266-L269 PolarHBondContact O-N 3.41Å; I267-L269 PolarHBondContact O-N 3.02Å; L269-N271 VanDerWaalsContact C-N 3.32Å; L269-N271 PolarHBondContact O-N 2.91Å; L269-L272 PolarHBondContact O-N 2.85Å; L269-M273 HydrophobicContact CD1-CE 4.24Å; L269-M273 HydrophobicContact CD1-CG 3.72Å; L269-M273 HydrophobicContact CD1-SD 3.85Å; L269-M273 HydrophobicContact CD2-CE 4.4Å; L269-M273 HydrophobicContact CG-CE 3.8Å; L269-M273 HydrophobicContact CG-CG 4.32Å; L269-M273 HydrophobicContact CG-SD 4.04Å; L269-M273 WeakPolarHBondContact O-CB 3.31Å; L269-M273 WeakPolarHBondContact O-CG 3.1Å; L269-M273 PolarHBondContact O-N 3.01Å
270V60.9Low58.2Low31 Ų3172.2 Ų72.219%0.18841%0.414CS..Hα-helixtrans-56.3-51.8173.1-169.30000109.5I266 I267 L272 M273 G274 I342I266-V270 HydrophobicContact CG2-CG2 4.37Å; I266-V270 VanDerWaalsContact O-CG2 3.23Å; I266-V270 WeakPolarHBondContact O-CG2 3.19Å; I266-V270 PolarHBondContact O-N 3.45Å; I267-V270 PolarHBondContact O-N 2.99Å; V270-L272 VanDerWaalsContact C-N 3.32Å; V270-L272 PolarHBondContact O-N 2.99Å; V270-M273 PolarHBondContact O-N 3.36Å; V270-G274 PolarHBondContact O-N 3.09Å; V270-I342 HydrophobicContact CB-CG2 4.13Å; V270-I342 HydrophobicContact CG1-CG2 3.82Å; V270-I342 HydrophobicContact CG2-CG2 3.3Å
271N62.9Low58.8Low115 Ų11572 Ų7262%0.61541%0.411SS*.Hα-helixtrans-61.6-37.8-179.9-64.1-17.6000112.3I267 L269 G274I267-N271 VanDerWaalsContact O-CG 3.29Å; I267-N271 PolarHBondContact O-N 3.22Å; I267-N271 PolarHBondContact O-ND2 3.45Å; L269-N271 VanDerWaalsContact C-N 3.32Å; L269-N271 PolarHBondContact O-N 2.91Å; N271-G274 PolarHBondContact O-N 2.91Å
272L59.2Low59.5Low144 Ų14467.7 Ų67.775%0.75439%0.385SS*.Hα-helixtrans-74.6-28.7179.2-174.765000113.3H268 L269 V270 G274H268-L272 WeakPolarHBondContact O-CB 3.41Å; H268-L272 PolarHBondContact O-N 3.36Å; L269-L272 PolarHBondContact O-N 2.85Å; V270-L272 VanDerWaalsContact C-N 3.32Å; V270-L272 PolarHBondContact O-N 2.99Å; L272-G274 PolarHBondContact O-N 3.28Å
273M52.7Low60.4Low47 Ų4767.5 Ų67.523%0.23238%0.382CS..Hα-helixtrans-77.1-10.3173.3-69.2-175.6-54.400112.8T201 L269 V270 V276 Y281T201-M273 HydrophobicContact CG2-SD 4.05Å; L269-M273 HydrophobicContact CD1-CE 4.24Å; L269-M273 HydrophobicContact CD1-CG 3.72Å; L269-M273 HydrophobicContact CD1-SD 3.85Å; L269-M273 HydrophobicContact CD2-CE 4.4Å; L269-M273 HydrophobicContact CG-CE 3.8Å; L269-M273 HydrophobicContact CG-CG 4.32Å; L269-M273 HydrophobicContact CG-SD 4.04Å; L269-M273 WeakPolarHBondContact O-CB 3.31Å; L269-M273 WeakPolarHBondContact O-CG 3.1Å; L269-M273 PolarHBondContact O-N 3.01Å; V270-M273 PolarHBondContact O-N 3.36Å; M273-V276 HydrophobicContact CB-CG2 3.64Å; M273-V276 HydrophobicContact CE-CG2 3.82Å; M273-Y281 HydrophobicContact CE-CE1 4.49Å; M273-Y281 WeakPolarHBondContact CE-OH 3.46Å; M273-Y281 HydrophobicContact SD-CE1 4.48Å; M273-Y281 PolarHBondContact SD-OH 3Å
274G63.6Low61.4Low49 Ų4961.7 Ų61.751%0.50535%0.351SS..  trans65.9-130.4177.600000111.9V270 N271 L272 V276V270-G274 PolarHBondContact O-N 3.09Å; N271-G274 PolarHBondContact O-N 2.91Å; L272-G274 PolarHBondContact O-N 3.28Å; G274-V276 PolarHBondContact O-N 3.37Å
275T57.9Low62.6Low145 Ų14556.9 Ų56.989%0.8933%0.325SS*.SBendtrans-72.675.1171.939.10000111.2
276V56.1Low64.1Low14 Ų1455.9 Ų55.99%0.08532%0.318CS..  trans-47.1127163.5175.60000108.7M273 G274 V278 Y281M273-V276 HydrophobicContact CB-CG2 3.64Å; M273-V276 HydrophobicContact CE-CG2 3.82Å; G274-V276 PolarHBondContact O-N 3.37Å; V276-V278 PolarHBondContact O-N 3.43Å; V276-V278 VanDerWaalsContact O-N 3.14Å; V276-Y281 HydrophobicContact CG1-CE2 3.66Å
277P54.1Low65.7Low89 Ų8952.9 Ų52.958%0.57830%0.303SS*.  trans-62.3120.8177.525.2-33.1000109.4G279P277-G279 PolarHBondContact O-N 2.96Å
278V55.4Low67.3Low96 Ų9650 Ų5058%0.58229%0.288SS*.SBendtrans-57.5111.8176.6-177.30000108.1V276V276-V278 PolarHBondContact O-N 3.43Å; V276-V278 VanDerWaalsContact O-N 3.14Å
279G54.9Low68.8Low18 Ų1844.3 Ų44.319%0.18626%0.261CS..SBendtrans139.352.7-163.400000115.7P277P277-G279 PolarHBondContact O-N 2.96Å
280S56Low70.1Confident1 Ų146 Ų461%0.00727%0.274CS..  trans62.5107.9137.4-12.60000118.9S339 L340 Q348 R350S280-S339 WeakPolarHBondContact CB-OG 3.4Å; S280-L340 CarbonylContact C-O 3.59Å; S280-L340 WeakPolarHBondContact CA-O 3.27Å; S280-Q348 PolarHBondContact OG-OE1 2.96Å; S280-R350 PolarHBondContact OG-NE 3.47Å; S280-R350 PolarHBondContact OG-NH2 2.88Å
281Y68.9Low71.4Confident8 Ų852.9 Ų52.93%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-80123.4171.1-71.7-114.6000110.6L199 T201 M273 V276 T283 S339 L340 I342 P357L199-Y281 HydrophobicContact CD2-CD1 3.97Å; L199-Y281 HydrophobicContact CD2-CE1 4.13Å; T201-Y281 HydrophobicContact CG2-CE1 4.14Å; M273-Y281 HydrophobicContact CE-CE1 4.49Å; M273-Y281 WeakPolarHBondContact CE-OH 3.46Å; M273-Y281 HydrophobicContact SD-CE1 4.48Å; M273-Y281 PolarHBondContact SD-OH 3Å; V276-Y281 HydrophobicContact CG1-CE2 3.66Å; Y281-T283 WeakPolarHBondContact O-CG2 3.34Å; Y281-T283 PolarHBondContact O-N 3.47Å; Y281-S339 CarbonylContact O-C 3.45Å; Y281-S339 WeakPolarHBondContact O-CA 3.49Å; Y281-L340 PolarHBondContact N-O 3.11Å; Y281-L340 PolarHBondContact O-N 3.46Å; Y281-I342 HydrophobicContact CD1-CD1 4.17Å; Y281-I342 HydrophobicContact CD2-CB 4.3Å; Y281-I342 HydrophobicContact CD2-CD1 3.5Å; Y281-I342 VanDerWaalsContact CD2-CD1 3.5Å; Y281-I342 HydrophobicContact CD2-CG1 3.68Å; Y281-I342 HydrophobicContact CE1-CD1 4.24Å; Y281-I342 HydrophobicContact CE2-CB 4.22Å; Y281-I342 HydrophobicContact CE2-CD1 3.62Å; Y281-I342 HydrophobicContact CE2-CG1 3.98Å; Y281-I342 HydrophobicContact CG-CD1 3.82Å; Y281-I342 HydrophobicContact CG-CG1 4.31Å; Y281-P357 CarbonylContact C-O 3.56Å; Y281-P357 WeakPolarHBondContact CA-O 3.49Å; Y281-P357 HydrophobicContact CD1-CB 3.64Å; Y281-P357 HydrophobicContact CD2-CB 4.45Å; Y281-P357 HydrophobicContact CE1-CB 3.76Å; Y281-P357 HydrophobicContact CG-CB 4.01Å
282W70.9Confident72.1Confident6 Ų653.8 Ų53.82%0.02330%0.296CS..EExtended strand (participates in β ladder)trans-65127.4173.1-179.859.7000111.5A217 E218 G285 L338 L356 P357 A359A217-W282 HydrophobicContact CB-CE3 3.49Å; A217-W282 VanDerWaalsContact CB-CE3 3.49Å; A217-W282 HydrophobicContact CB-CZ3 3.55Å; E218-W282 HydrophobicContact CG-CH2 3.34Å; E218-W282 HydrophobicContact CG-CZ2 4.02Å; E218-W282 HydrophobicContact CG-CZ3 4.11Å; W282-G285 PolarHBondContact NE1-O 3.29Å; W282-L338 VanDerWaalsContact CD1-O 3.28Å; W282-L356 HydrophobicContact CB-CB 4.09Å; W282-L356 HydrophobicContact CB-CD1 3.99Å; W282-P357 PolarHBondContact N-O 2.91Å; W282-A359 PolarHBondContact O-N 3.44Å; W282-A359 VanDerWaalsContact O-N 3.09Å
283T72.1Confident72.4Confident37 Ų3752 Ų5223%0.22729%0.292CS..EExtended strand (participates in β ladder)trans-105.57.1-168.660.70000114.8Y281 G285 L338 L340 W347Y281-T283 WeakPolarHBondContact O-CG2 3.34Å; Y281-T283 PolarHBondContact O-N 3.47Å; T283-G285 VanDerWaalsContact C-N 3.33Å; T283-L338 PolarHBondContact N-O 3.28Å; T283-L338 PolarHBondContact OG1-O 3.2Å; T283-L340 HydrophobicContact CG2-CB 3.85Å; T283-W347 HydrophobicContact CG2-CH2 4.01Å; T283-W347 HydrophobicContact CG2-CZ3 3.56Å
284G79.1Confident72.7Confident3 Ų353.5 Ų53.53%0.03132%0.318CS..EExtended strand (participates in β ladder)trans90.3-10.6-171.500000114.3W309 S310G284-W309 CarbonylContact O-C 3.49Å; G284-S310 WeakPolarHBondContact O-CB 3.25Å; G284-S310 PolarHBondContact O-N 3.3Å; G284-S310 PolarHBondContact O-OG 3.04Å
285G87.3Confident72.4Confident0 Ų057 Ų570%033%0.33CS..EExtended strand (participates in β ladder)trans-83.8150.8175.500000113.2W282 T283 L338W282-G285 PolarHBondContact NE1-O 3.29Å; T283-G285 VanDerWaalsContact C-N 3.33Å; G285-L338 PolarHBondContact O-N 2.93Å
286R92.1Very high72.1Confident62 Ų6261.4 Ų61.423%0.23433%0.332CS..EExtended strand (participates in β ladder)trans-131.6130.4168.8-62.8176.9177.5-134.112108.8E218 L307 K308 T335 Y336E218-R286 IonicContact OE1-CZ 2.72Å; E218-R286 VanDerWaalsContact OE1-CZ 3.32Å; E218-R286 IonicContact OE1-NE 3.79Å; E218-R286 PolarHBondContact OE1-NE 2.91Å; E218-R286 IonicContact OE1-NH2 3.19Å; E218-R286 PolarHBondContact OE1-NH2 3.26Å; E218-R286 IonicContact OE2-CZ 3.99Å; E218-R286 IonicContact OE2-NH2 2.69Å; E218-R286 PolarHBondContact OE2-NH2 3.05Å; R286-L307 CarbonylContact O-C 3.41Å; R286-K308 PolarHBondContact N-O 3.11Å; R286-K308 PolarHBondContact O-N 3Å; R286-T335 HydrophobicContact CB-CG2 4.03Å; R286-T335 HydrophobicContact CG-CG2 4.37Å; R286-Y336 CarbonylContact C-O 3.47Å; R286-Y336 VanDerWaalsContact CA-O 3.23Å; R286-Y336 WeakPolarHBondContact CA-O 3.15Å
287L93.4Very high71.9Confident5 Ų562.8 Ų62.83%0.02635%0.348CS..EExtended strand (participates in β ladder)trans-96.4124.8171.3-65.7171.8000108.7V305 L307 A317 L320 I322 L330 T335 Y336 L338 A349L287-V305 HydrophobicContact CB-CG1 4.08Å; L287-V305 HydrophobicContact CD2-CG1 4.14Å; L287-L307 HydrophobicContact CD2-CB 4.06Å; L287-L307 HydrophobicContact CD2-CD1 3.96Å; L287-A317 HydrophobicContact CD2-CB 3.73Å; L287-L320 HydrophobicContact CD2-CD1 3.97Å; L287-I322 HydrophobicContact CD1-CD1 4.5Å; L287-L330 HydrophobicContact CB-CD1 4.26Å; L287-L330 HydrophobicContact CD1-CD1 4.45Å; L287-T335 WeakPolarHBondContact O-CA 3.43Å; L287-Y336 PolarHBondContact N-O 3.24Å; L287-Y336 PolarHBondContact O-N 3.4Å; L287-L338 HydrophobicContact CD1-CD1 4.31Å; L287-A349 HydrophobicContact CD1-CB 4.1Å
288I93.1Very high71.9Confident34 Ų3463.6 Ų63.617%0.17436%0.363CS..EExtended strand (participates in β ladder)trans-121.2114.8-177.9-59.7168.2000107P290 M306 K308 T335I288-P290 WeakPolarHBondContact O-CD 3.49Å; I288-M306 HydrophobicContact CB-CE 4.36Å; I288-M306 HydrophobicContact CD1-CE 4.23Å; I288-M306 HydrophobicContact CG2-CE 4.42Å; I288-M306 PolarHBondContact N-O 3.14Å; I288-M306 PolarHBondContact O-N 3.4Å; I288-K308 HydrophobicContact CD1-CB 4.09Å; I288-K308 HydrophobicContact CD1-CD 4.1Å; I288-T335 HydrophobicContact CG1-CG2 3.93Å
289K92.7Very high71.8Confident15 Ų1566.9 Ų66.97%0.06538%0.377CS..  trans-88104.9164.6-171173.9-175.91650106.7K304 V305 A327 N328 L330 E332 G333K289-K304 WeakPolarHBondContact CG-O 3.36Å; K289-V305 HydrophobicContact CB-CG2 4.29Å; K289-V305 HydrophobicContact CG-CG2 4.35Å; K289-A327 PolarHBondContact NZ-O 2.99Å; K289-N328 PolarHBondContact NZ-O 3.41Å; K289-L330 HydrophobicContact CB-CB 4.43Å; K289-L330 HydrophobicContact CD-CB 4.13Å; K289-L330 WeakPolarHBondContact CD-O 3.31Å; K289-L330 WeakPolarHBondContact CE-O 3.44Å; K289-L330 PolarHBondContact NZ-O 3.22Å; K289-E332 HydrophobicContact CD-CG 3.78Å; K289-E332 HydrophobicContact CG-CG 4.02Å; K289-G333 WeakPolarHBondContact O-CA 3.34Å; K289-G333 PolarHBondContact O-N 2.92Å
290P88.7Confident71.9Confident48 Ų4869.6 Ų69.631%0.31240%0.398SS..  trans-59.7147.9177.127.9-34.3000109.2I288 H292I288-P290 WeakPolarHBondContact O-CD 3.49Å; P290-H292 PolarHBondContact O-N 2.96Å
291R87.8Confident72.1Confident175 Ų17573 Ų7366%0.6642%0.419SS*.  trans-67.8133.3167.2-69.3-172.6173.8173.3-1.1108.4T293 E332R291-T293 HydrophobicContact CB-CG2 4.49Å; R291-T293 PolarHBondContact O-N 3.48Å; R291-E332 WeakPolarHBondContact CA-OE2 3.41Å; R291-E332 HydrophobicContact CG-CB 4.22Å
292H77.5Confident72.3Confident133 Ų13380.5 Ų80.562%0.61646%0.459SS*.  trans-73.170.3169.9-77.2-84.8000110.5P290 G294 E332P290-H292 PolarHBondContact O-N 2.96Å; H292-G294 PolarHBondContact O-N 3.03Å; H292-G294 VanDerWaalsContact O-N 3.1Å; H292-E332 IonicContact CD2-OE1 3.92Å; H292-E332 PolarHBondContact CD2-OE1 2.88Å; H292-E332 IonicContact CD2-OE2 3.92Å; H292-E332 PolarHBondContact N-OE2 3.26Å
293T65.8Low72.8Confident108 Ų10884.3 Ų84.366%0.66347%0.474SS*.  trans-63.2110.516652.80000108R291 V295R291-T293 HydrophobicContact CB-CG2 4.49Å; R291-T293 PolarHBondContact O-N 3.48Å; T293-V295 PolarHBondContact O-N 3.47Å
294G60.5Low73.5Confident77 Ų7785.3 Ų85.379%0.79448%0.475SS*.  trans-64.720.1-169.100000117.5H292H292-G294 PolarHBondContact O-N 3.03Å; H292-G294 VanDerWaalsContact O-N 3.1Å
295V55.3Low74.2Confident122 Ų12285.5 Ų85.574%0.73948%0.475SS*.  trans-80.4116.7170.3-175.30000108.1T293 G297T293-V295 PolarHBondContact O-N 3.47Å; V295-G297 PolarHBondContact O-N 2.92Å
296Y52.7Low74.5Confident239 Ų23987.5 Ų87.594%0.93749%0.485SS*.  trans-66.960.6177.2-91-100.3000113A298Y296-A298 PolarHBondContact O-N 3.34Å
297G52.5Low74.5Confident42 Ų4284.5 Ų84.543%0.43347%0.474SS..  trans-80.6109.1174.400000111V295 N299 A300V295-G297 PolarHBondContact O-N 2.92Å; G297-N299 PolarHBondContact O-N 2.95Å; G297-A300 PolarHBondContact O-N 3.43Å
298A52.5Low74.4Confident106 Ų10688.5 Ų88.588%0.87649%0.491SS*.THydrogen-bonded Turntrans-6416-174.200000117Y296Y296-A298 PolarHBondContact O-N 3.34Å
299N53.9Low74.2Confident165 Ų16590.2 Ų90.288%0.88250%0.495SS*.THydrogen-bonded Turntrans-125.56.3171.2-81.4-45.7000112.9G297 T301G297-N299 PolarHBondContact O-N 2.95Å; N299-T301 PolarHBondContact O-N 2.9Å
300A56.3Low73.5Confident75 Ų7593.2 Ų93.262%0.6252%0.518SS*.SBendtrans-62.4115.6162.500000107.8G297 N302G297-A300 PolarHBondContact O-N 3.43Å; A300-N302 PolarHBondContact O-N 3.31Å
301T62.1Low73.1Confident73 Ų7395.5 Ų95.545%0.44853%0.528SS..  trans-61.3130.4176.949.10000109.3N299 W303N299-T301 PolarHBondContact O-N 2.9Å; T301-W303 HydrophobicContact CG2-CD2 4.37Å; T301-W303 HydrophobicContact CG2-CE3 4.3Å; T301-W303 HydrophobicContact CG2-CZ3 4.45Å; T301-W303 PolarHBondContact O-N 3.32Å
302N72.7Confident73Confident165 Ų16589.2 Ų89.288%0.88252%0.517SS*.SBendtrans-65.324175.7-61.42000113.8A300A300-N302 PolarHBondContact O-N 3.31Å
303W80.1Confident73.5Confident87 Ų8789.7 Ų89.733%0.3351%0.514SS..  trans-94.697.7179.1-55.8-14.9000108.9T301 V305 M306 A315 P316T301-W303 HydrophobicContact CG2-CD2 4.37Å; T301-W303 HydrophobicContact CG2-CE3 4.3Å; T301-W303 HydrophobicContact CG2-CZ3 4.45Å; T301-W303 PolarHBondContact O-N 3.32Å; W303-V305 PolarHBondContact O-N 2.88Å; W303-M306 HydrophobicContact CE3-CB 4.37Å; W303-M306 HydrophobicContact CE3-CG 4.18Å; W303-M306 HydrophobicContact CZ3-CG 4.44Å; W303-A315 VanDerWaalsContact CZ3-C 3.5Å; W303-P316 HydrophobicContact CD2-CB 3.86Å; W303-P316 HydrophobicContact CE3-CB 4.48Å; W303-P316 HydrophobicContact CG-CB 3.85Å; W303-P316 HydrophobicContact CZ2-CG 4.4Å
304K88.5Confident74.7Confident58 Ų5888 Ų8825%0.25250%0.503SS..SBendtrans-39.8-40.7169.6-170.6178.8-172.2178.90112.8K289 D324 A327 N328K289-K304 WeakPolarHBondContact CG-O 3.36Å; K304-D324 PolarHBondContact NZ-O 3.19Å; K304-D324 IonicContact NZ-OD1 3.48Å; K304-A327 HydrophobicContact CD-CB 3.86Å; K304-A327 HydrophobicContact CG-CB 4.24Å; K304-N328 WeakPolarHBondContact CE-OD1 3.44Å; K304-N328 VanDerWaalsContact NZ-CG 3.26Å; K304-N328 PolarHBondContact NZ-ND2 2.84Å; K304-N328 PolarHBondContact NZ-OD1 3.09Å
305V92.7Very high76.1Confident6 Ų685.1 Ų85.14%0.03647%0.472CS..SBendtrans-135.3130.3169.6-177.40000109.8L287 K289 W303 A317 A327 L330L287-V305 HydrophobicContact CB-CG1 4.08Å; L287-V305 HydrophobicContact CD2-CG1 4.14Å; K289-V305 HydrophobicContact CB-CG2 4.29Å; K289-V305 HydrophobicContact CG-CG2 4.35Å; W303-V305 PolarHBondContact O-N 2.88Å; V305-A317 HydrophobicContact CB-CB 3.83Å; V305-A317 HydrophobicContact CG1-CB 3.73Å; V305-A317 VanDerWaalsContact O-CB 3.3Å; V305-A317 WeakPolarHBondContact O-CB 3.44Å; V305-A317 PolarHBondContact O-N 3.2Å; V305-A327 HydrophobicContact CG2-CB 3.72Å; V305-L330 HydrophobicContact CG1-CD1 3.82Å; V305-L330 HydrophobicContact CG2-CD1 3.98Å
306M93.2Very high77.8Confident42 Ų4281.6 Ų81.621%0.20745%0.452CS..EExtended strand (participates in β ladder)trans-100125.8175.6174.8175.153.800110.5I288 W303 T314I288-M306 HydrophobicContact CB-CE 4.36Å; I288-M306 HydrophobicContact CD1-CE 4.23Å; I288-M306 HydrophobicContact CG2-CE 4.42Å; I288-M306 PolarHBondContact N-O 3.14Å; I288-M306 PolarHBondContact O-N 3.4Å; W303-M306 HydrophobicContact CE3-CB 4.37Å; W303-M306 HydrophobicContact CE3-CG 4.18Å; W303-M306 HydrophobicContact CZ3-CG 4.44Å; M306-T314 HydrophobicContact CG-CG2 4.22Å; M306-T314 HydrophobicContact SD-CG2 3.55Å; M306-T314 VanDerWaalsContact SD-CG2 3.55Å
307L92.9Very high79.5Confident0 Ų070.3 Ų70.30%041%0.408CS..EExtended strand (participates in β ladder)trans-84.1124.3165.6173.961.5000109.4R286 L287 W309 T314 A315 I319 L320 L338R286-L307 CarbonylContact O-C 3.41Å; L287-L307 HydrophobicContact CD2-CB 4.06Å; L287-L307 HydrophobicContact CD2-CD1 3.96Å; L307-W309 HydrophobicContact CD2-CZ2 3.64Å; L307-W309 HydrophobicContact CG-CZ2 4.42Å; L307-T314 CarbonylContact O-C 3.49Å; L307-T314 VanDerWaalsContact O-CA 3.27Å; L307-T314 WeakPolarHBondContact O-CA 3.4Å; L307-A315 PolarHBondContact N-O 3.05Å; L307-A315 PolarHBondContact O-N 2.97Å; L307-I319 HydrophobicContact CD2-CG2 3.8Å; L307-L320 HydrophobicContact CD1-CD1 4.3Å; L307-L320 HydrophobicContact CD2-CD1 3.96Å; L307-L320 HydrophobicContact CD2-CD2 3.9Å; L307-L320 HydrophobicContact CD2-CG 3.91Å; L307-L338 HydrophobicContact CD1-CD2 3.98Å
308K92Very high81.3Confident88 Ų8875.1 Ų75.138%0.38342%0.417SS..EExtended strand (participates in β ladder)trans-118.8121.7173.5-175.1171.5-177.7175.10110.1R286 I288 R313 T314R286-K308 PolarHBondContact N-O 3.11Å; R286-K308 PolarHBondContact O-N 3Å; I288-K308 HydrophobicContact CD1-CB 4.09Å; I288-K308 HydrophobicContact CD1-CD 4.1Å; K308-R313 WeakPolarHBondContact CA-O 3.48Å; K308-T314 HydrophobicContact CB-CG2 4.12Å; K308-T314 HydrophobicContact CD-CG2 4.25Å; K308-T314 HydrophobicContact CG-CG2 3.94Å
309W87.1Confident82.9Confident71 Ų7175.9 Ų75.927%0.26941%0.405SS..EExtended strand (participates in β ladder)trans-83.7156175.6-63.198.4000111.5G284 L307 D311 G312 R313 L338G284-W309 CarbonylContact O-C 3.49Å; L307-W309 HydrophobicContact CD2-CZ2 3.64Å; L307-W309 HydrophobicContact CG-CZ2 4.42Å; W309-D311 PolarHBondContact O-N 3.01Å; W309-G312 WeakPolarHBondContact O-CA 3.17Å; W309-G312 PolarHBondContact O-N 2.71Å; W309-R313 PolarHBondContact N-O 3.23Å; W309-L338 HydrophobicContact CH2-CD2 4.19Å; W309-L338 HydrophobicContact CZ3-CD2 4.48Å
310S79.6Confident84.4Confident77 Ų7770 Ų7054%0.53837%0.373SS..THydrogen-bonded Turntrans-64.9-15.3178.755.60000114.4G284 G312G284-S310 WeakPolarHBondContact O-CB 3.25Å; G284-S310 PolarHBondContact O-N 3.3Å; G284-S310 PolarHBondContact O-OG 3.04Å; S310-G312 VanDerWaalsContact C-N 3.27Å
311D79.5Confident85.9Confident97 Ų9769.4 Ų69.452%0.51937%0.374SS..THydrogen-bonded Turntrans-83.30.4168.566.422.9000114.1W309 R313W309-D311 PolarHBondContact O-N 3.01Å; D311-R313 VanDerWaalsContact CG-NE 3.32Å; D311-R313 WeakPolarHBondContact OD1-CB 3.2Å; D311-R313 VanDerWaalsContact OD1-CG 3.31Å; D311-R313 WeakPolarHBondContact OD1-CG 3.47Å; D311-R313 IonicContact OD1-CZ 3.32Å; D311-R313 PolarHBondContact OD1-N 3.48Å; D311-R313 VanDerWaalsContact OD1-N 3.09Å; D311-R313 IonicContact OD1-NE 3.38Å; D311-R313 PolarHBondContact OD1-NE 3.48Å; D311-R313 IonicContact OD1-NH2 2.78Å; D311-R313 IonicContact OD2-CZ 3.95Å; D311-R313 IonicContact OD2-NE 3.02Å; D311-R313 PolarHBondContact OD2-NE 3.49Å; D311-R313 IonicContact OD2-NH2 2.79Å; D311-R313 PolarHBondContact OD2-NH2 2.99Å
312G86.6Confident87.1Confident43 Ų4367.5 Ų67.544%0.44336%0.361SS..SBendtrans96.3-12.8177.200000115W309 S310W309-G312 WeakPolarHBondContact O-CA 3.17Å; W309-G312 PolarHBondContact O-N 2.71Å; S310-G312 VanDerWaalsContact C-N 3.27Å
313R86.4Confident87.9Confident142 Ų14262.9 Ų62.954%0.53634%0.339SS..  trans-66.6137.7-179.1-68.6-179.7-68150.7-1.3112K308 W309 D311K308-R313 WeakPolarHBondContact CA-O 3.48Å; W309-R313 PolarHBondContact N-O 3.23Å; D311-R313 VanDerWaalsContact CG-NE 3.32Å; D311-R313 WeakPolarHBondContact OD1-CB 3.2Å; D311-R313 VanDerWaalsContact OD1-CG 3.31Å; D311-R313 WeakPolarHBondContact OD1-CG 3.47Å; D311-R313 IonicContact OD1-CZ 3.32Å; D311-R313 PolarHBondContact OD1-N 3.48Å; D311-R313 VanDerWaalsContact OD1-N 3.09Å; D311-R313 IonicContact OD1-NE 3.38Å; D311-R313 PolarHBondContact OD1-NE 3.48Å; D311-R313 IonicContact OD1-NH2 2.78Å; D311-R313 IonicContact OD2-CZ 3.95Å; D311-R313 IonicContact OD2-NE 3.02Å; D311-R313 PolarHBondContact OD2-NE 3.49Å; D311-R313 IonicContact OD2-NH2 2.79Å; D311-R313 PolarHBondContact OD2-NH2 2.99Å
314T90.9Very high88.3Confident73 Ų7362.6 Ų62.645%0.44834%0.344SS..EExtended strand (participates in β ladder)trans-113.2146.4176.949.30000111.8M306 L307 K308M306-T314 HydrophobicContact CG-CG2 4.22Å; M306-T314 HydrophobicContact SD-CG2 3.55Å; M306-T314 VanDerWaalsContact SD-CG2 3.55Å; L307-T314 CarbonylContact O-C 3.49Å; L307-T314 VanDerWaalsContact O-CA 3.27Å; L307-T314 WeakPolarHBondContact O-CA 3.4Å; K308-T314 HydrophobicContact CB-CG2 4.12Å; K308-T314 HydrophobicContact CD-CG2 4.25Å; K308-T314 HydrophobicContact CG-CG2 3.94Å
315A90.3Very high88.4Confident16 Ų1664.8 Ų64.813%0.13236%0.359CS..EExtended strand (participates in β ladder)trans-149.4159.1179.700000110.4W303 L307 I319W303-A315 VanDerWaalsContact CZ3-C 3.5Å; L307-A315 PolarHBondContact N-O 3.05Å; L307-A315 PolarHBondContact O-N 2.97Å; A315-I319 HydrophobicContact CB-CG2 4.42Å
316P91.3Very high88.3Confident48 Ų4868.2 Ų68.231%0.31238%0.377SS..EExtended strand (participates in β ladder)trans-64.713616727.7-33000109.5W303 K318 I319W303-P316 HydrophobicContact CD2-CB 3.86Å; W303-P316 HydrophobicContact CE3-CB 4.48Å; W303-P316 HydrophobicContact CG-CB 3.85Å; W303-P316 HydrophobicContact CZ2-CG 4.4Å; P316-K318 PolarHBondContact O-N 3.23Å; P316-K318 VanDerWaalsContact O-N 3.08Å; P316-I319 VanDerWaalsContact O-CG2 3.28Å; P316-I319 WeakPolarHBondContact O-CG2 3.45Å; P316-I319 PolarHBondContact O-N 2.88Å
317A89.7Confident88.2Confident2 Ų266.4 Ų66.42%0.01737%0.369CS..G310 helixtrans-62-20.2-179.100000113.5L287 V305 I319 L320 I322L287-A317 HydrophobicContact CD2-CB 3.73Å; V305-A317 HydrophobicContact CB-CB 3.83Å; V305-A317 HydrophobicContact CG1-CB 3.73Å; V305-A317 VanDerWaalsContact O-CB 3.3Å; V305-A317 WeakPolarHBondContact O-CB 3.44Å; V305-A317 PolarHBondContact O-N 3.2Å; A317-I319 PolarHBondContact O-N 2.84Å; A317-L320 WeakPolarHBondContact O-CB 3.23Å; A317-L320 PolarHBondContact O-N 2.98Å; A317-I322 VanDerWaalsContact C-CG2 3.4Å; A317-I322 HydrophobicContact CB-CG2 3.79Å; A317-I322 VanDerWaalsContact O-CG2 3.31Å; A317-I322 WeakPolarHBondContact O-CG2 3.34Å
318K88.8Confident88.1Confident143 Ų14370.3 Ų70.362%0.62239%0.389SS*.G310 helixtrans-53.3-20.7173.3-162.5156.4-169.7148.70114P316 L320 G321 D324P316-K318 PolarHBondContact O-N 3.23Å; P316-K318 VanDerWaalsContact O-N 3.08Å; K318-L320 PolarHBondContact O-N 2.9Å; K318-G321 PolarHBondContact O-N 3.25Å; K318-G321 VanDerWaalsContact O-N 3.1Å; K318-D324 IonicContact NZ-OD2 3.2Å; K318-D324 PolarHBondContact NZ-OD2 3.32Å
319I86.5Confident88Confident123 Ų12372.2 Ų72.263%0.63140%0.404SS*.G310 helixtrans-62.8-18.7171.3-159.8170.6000113.8L307 A315 P316 A317L307-I319 HydrophobicContact CD2-CG2 3.8Å; A315-I319 HydrophobicContact CB-CG2 4.42Å; P316-I319 VanDerWaalsContact O-CG2 3.28Å; P316-I319 WeakPolarHBondContact O-CG2 3.45Å; P316-I319 PolarHBondContact O-N 2.88Å; A317-I319 PolarHBondContact O-N 2.84Å
320L85.8Confident88.3Confident40 Ų4069.6 Ų69.621%0.20940%0.395CS..G310 helixtrans-92-0.5176.6-56.5176.3000113.3L287 L307 A317 K318 I322 L338L287-L320 HydrophobicContact CD2-CD1 3.97Å; L307-L320 HydrophobicContact CD1-CD1 4.3Å; L307-L320 HydrophobicContact CD2-CD1 3.96Å; L307-L320 HydrophobicContact CD2-CD2 3.9Å; L307-L320 HydrophobicContact CD2-CG 3.91Å; A317-L320 WeakPolarHBondContact O-CB 3.23Å; A317-L320 PolarHBondContact O-N 2.98Å; K318-L320 PolarHBondContact O-N 2.9Å; L320-I322 VanDerWaalsContact C-N 3.28Å; L320-L338 HydrophobicContact CD1-CD1 3.7Å; L320-L338 HydrophobicContact CD1-CD2 3.73Å; L320-L338 HydrophobicContact CD1-CG 4.36Å; L320-L338 HydrophobicContact CD2-CD2 4.04Å
321G88.3Confident88.9Confident63 Ų6368.2 Ų68.265%0.64939%0.388SS*.THydrogen-bonded Turntrans73.814.8-170.200000114.4K318 T323K318-G321 PolarHBondContact O-N 3.25Å; K318-G321 VanDerWaalsContact O-N 3.1Å; G321-T323 PolarHBondContact O-N 3.16Å
322I86.1Confident89.5Confident33 Ų3367.7 Ų67.717%0.16938%0.383CS..  trans-58.4130.3174.3-163.7170000109.7L287 A317 L320 D326L287-I322 HydrophobicContact CD1-CD1 4.5Å; A317-I322 VanDerWaalsContact C-CG2 3.4Å; A317-I322 HydrophobicContact CB-CG2 3.79Å; A317-I322 VanDerWaalsContact O-CG2 3.31Å; A317-I322 WeakPolarHBondContact O-CG2 3.34Å; L320-I322 VanDerWaalsContact C-N 3.28Å; I322-D326 HydrophobicContact CD1-CB 4.04Å; I322-D326 HydrophobicContact CG1-CB 3.37Å
323T89.9Confident89.6Confident69 Ų6967.4 Ų67.442%0.42338%0.379SS..  trans-73.4163.1175.966.60000110.5G321 D325 D326 A327G321-T323 PolarHBondContact O-N 3.16Å; T323-D325 PolarHBondContact O-N 2.88Å; T323-D325 PolarHBondContact OG1-N 2.87Å; T323-D326 WeakPolarHBondContact CB-OD2 3.3Å; T323-D326 WeakPolarHBondContact CG2-OD2 3.28Å; T323-D326 PolarHBondContact N-OD2 3.45Å; T323-D326 VanDerWaalsContact N-OD2 3.14Å; T323-D326 PolarHBondContact O-N 3.09Å; T323-D326 WeakPolarHBondContact OG1-CB 3.19Å; T323-D326 PolarHBondContact OG1-N 3.05Å; T323-D326 PolarHBondContact OG1-OD2 2.82Å; T323-A327 WeakPolarHBondContact O-CB 3.22Å; T323-A327 PolarHBondContact O-N 3.45Å
324D88.9Confident89.9Confident81 Ų8164.7 Ų64.743%0.43337%0.374SS..Hα-helixtrans-67.6-20.3173.8-84.2-71.8000111.8K304 K318 N328K304-D324 PolarHBondContact NZ-O 3.19Å; K304-D324 IonicContact NZ-OD1 3.48Å; K318-D324 IonicContact NZ-OD2 3.2Å; K318-D324 PolarHBondContact NZ-OD2 3.32Å; D324-N328 PolarHBondContact O-N 3.49Å; D324-N328 PolarHBondContact O-ND2 3.19Å
325D90.8Very high89.9Confident104 Ų10463.6 Ų63.656%0.55637%0.367SS*.Hα-helixtrans-82-41.2174-62.2-46.6000113.3T323 A327 N328 N329T323-D325 PolarHBondContact O-N 2.88Å; T323-D325 PolarHBondContact OG1-N 2.87Å; D325-A327 PolarHBondContact O-N 2.71Å; D325-N328 WeakPolarHBondContact O-CA 3Å; D325-N328 VanDerWaalsContact O-CB 3.31Å; D325-N328 WeakPolarHBondContact O-CB 3.14Å; D325-N328 PolarHBondContact O-N 2.83Å; D325-N328 PolarHBondContact OD1-ND2 3.39Å; D325-N329 VanDerWaalsContact O-CG 3.27Å; D325-N329 PolarHBondContact O-N 3.08Å; D325-N329 PolarHBondContact O-ND2 3.19Å; D325-N329 VanDerWaalsContact O-ND2 3.13Å
326D89.9Confident90.1Very high78 Ų7864.8 Ų64.842%0.41737%0.368SS..Hα-helixtrans-55.2-38.3166.4-67.8-55.1000110.8I322 T323 N329 L330I322-D326 HydrophobicContact CD1-CB 4.04Å; I322-D326 HydrophobicContact CG1-CB 3.37Å; T323-D326 WeakPolarHBondContact CB-OD2 3.3Å; T323-D326 WeakPolarHBondContact CG2-OD2 3.28Å; T323-D326 PolarHBondContact N-OD2 3.45Å; T323-D326 VanDerWaalsContact N-OD2 3.14Å; T323-D326 PolarHBondContact O-N 3.09Å; T323-D326 WeakPolarHBondContact OG1-CB 3.19Å; T323-D326 PolarHBondContact OG1-N 3.05Å; T323-D326 PolarHBondContact OG1-OD2 2.82Å; D326-N329 PolarHBondContact O-N 3.22Å; D326-L330 PolarHBondContact O-N 3.01Å
327A90.9Very high90.1Very high4 Ų462.5 Ų62.53%0.03335%0.354CS..Hα-helixtrans-73.9-25174.600000113.9K289 K304 V305 T323 D325K289-A327 PolarHBondContact NZ-O 2.99Å; K304-A327 HydrophobicContact CD-CB 3.86Å; K304-A327 HydrophobicContact CG-CB 4.24Å; V305-A327 HydrophobicContact CG2-CB 3.72Å; T323-A327 WeakPolarHBondContact O-CB 3.22Å; T323-A327 PolarHBondContact O-N 3.45Å; D325-A327 PolarHBondContact O-N 2.71Å
328N90.2Very high90Very high82 Ų8262.5 Ų62.544%0.43935%0.353SS..Hα-helixtrans-67.1-47166.6-77.6-33.6000110.2K289 K304 D324 D325 L330K289-N328 PolarHBondContact NZ-O 3.41Å; K304-N328 WeakPolarHBondContact CE-OD1 3.44Å; K304-N328 VanDerWaalsContact NZ-CG 3.26Å; K304-N328 PolarHBondContact NZ-ND2 2.84Å; K304-N328 PolarHBondContact NZ-OD1 3.09Å; D324-N328 PolarHBondContact O-N 3.49Å; D324-N328 PolarHBondContact O-ND2 3.19Å; D325-N328 WeakPolarHBondContact O-CA 3Å; D325-N328 VanDerWaalsContact O-CB 3.31Å; D325-N328 WeakPolarHBondContact O-CB 3.14Å; D325-N328 PolarHBondContact O-N 2.83Å; D325-N328 PolarHBondContact OD1-ND2 3.39Å; N328-L330 VanDerWaalsContact C-N 3.25Å; N328-L330 PolarHBondContact O-N 3.1Å; N328-L330 VanDerWaalsContact O-O 3.11Å
329N91.5Very high90Very high127 Ų12755.7 Ų55.768%0.67932%0.324SS*.Hα-helixtrans-66.5-15.5-175-69.6-34.3000115.2D325 D326D325-N329 VanDerWaalsContact O-CG 3.27Å; D325-N329 PolarHBondContact O-N 3.08Å; D325-N329 PolarHBondContact O-ND2 3.19Å; D325-N329 VanDerWaalsContact O-ND2 3.13Å; D326-N329 PolarHBondContact O-N 3.22Å
330L91.8Very high89.7Confident16 Ų1652 Ų528%0.08431%0.305CS..SBendtrans-74.6137.1168-58.3-168.9000110.8L287 K289 V305 D326 N328 Y336 A349L287-L330 HydrophobicContact CB-CD1 4.26Å; L287-L330 HydrophobicContact CD1-CD1 4.45Å; K289-L330 HydrophobicContact CB-CB 4.43Å; K289-L330 HydrophobicContact CD-CB 4.13Å; K289-L330 WeakPolarHBondContact CD-O 3.31Å; K289-L330 WeakPolarHBondContact CE-O 3.44Å; K289-L330 PolarHBondContact NZ-O 3.22Å; V305-L330 HydrophobicContact CG1-CD1 3.82Å; V305-L330 HydrophobicContact CG2-CD1 3.98Å; D326-L330 PolarHBondContact O-N 3.01Å; N328-L330 VanDerWaalsContact C-N 3.25Å; N328-L330 PolarHBondContact O-N 3.1Å; N328-L330 VanDerWaalsContact O-O 3.11Å; L330-Y336 HydrophobicContact CB-CD2 4.28Å; L330-Y336 HydrophobicContact CB-CE2 3.74Å; L330-Y336 HydrophobicContact CD1-CD2 4.09Å; L330-Y336 HydrophobicContact CD1-CE2 4.4Å; L330-Y336 HydrophobicContact CD2-CD1 4.3Å; L330-Y336 HydrophobicContact CD2-CD2 3.9Å; L330-Y336 HydrophobicContact CD2-CE1 4.23Å; L330-Y336 HydrophobicContact CD2-CE2 3.84Å; L330-Y336 HydrophobicContact CD2-CG 4.14Å; L330-Y336 HydrophobicContact CG-CD2 4.31Å; L330-Y336 HydrophobicContact CG-CE2 4.18Å; L330-A349 HydrophobicContact CD2-CB 3.91Å
331A92.5Very high89.4Confident48 Ų4850.1 Ų50.140%0.39730%0.295SS..PPolyproline II helixtrans-80.3145.4178.100000112.7M334 Y336A331-M334 HydrophobicContact CB-CB 4.35Å; A331-M334 HydrophobicContact CB-CG 3.8Å; A331-M334 WeakPolarHBondContact O-CB 3.42Å; A331-M334 PolarHBondContact O-N 2.9Å; A331-Y336 WeakPolarHBondContact CB-OH 3.3Å; A331-Y336 PolarHBondContact N-OH 2.83Å
332E91.5Very high88.5Confident87 Ų8747.6 Ų47.641%0.40727%0.267SS..THydrogen-bonded Turntrans-73.9132.2-174.7-74-163-155.100114.6K289 R291 H292 M334K289-E332 HydrophobicContact CD-CG 3.78Å; K289-E332 HydrophobicContact CG-CG 4.02Å; R291-E332 WeakPolarHBondContact CA-OE2 3.41Å; R291-E332 HydrophobicContact CG-CB 4.22Å; H292-E332 IonicContact CD2-OE1 3.92Å; H292-E332 PolarHBondContact CD2-OE1 2.88Å; H292-E332 IonicContact CD2-OE2 3.92Å; H292-E332 PolarHBondContact N-OE2 3.26Å; E332-M334 PolarHBondContact O-N 3.07Å
333G90.5Very high87.7Confident36 Ų3648.8 Ų48.837%0.37128%0.281SS..THydrogen-bonded Turntrans79.1-6.1-173.300000114.2K289K289-G333 WeakPolarHBondContact O-CA 3.34Å; K289-G333 PolarHBondContact O-N 2.92Å
334M91.5Very high87Confident85 Ų8553.6 Ų53.642%0.41929%0.292SS..  trans-79145.4174.8-63.5-58-73.900111.1A331 E332 Y336A331-M334 HydrophobicContact CB-CB 4.35Å; A331-M334 HydrophobicContact CB-CG 3.8Å; A331-M334 WeakPolarHBondContact O-CB 3.42Å; A331-M334 PolarHBondContact O-N 2.9Å; E332-M334 PolarHBondContact O-N 3.07Å; M334-Y336 HydrophobicContact CB-CD2 4.34Å; M334-Y336 HydrophobicContact CB-CE2 3.65Å
335T91.8Very high86.3Confident50 Ų5055.4 Ų55.431%0.30730%0.301SS..EExtended strand (participates in β ladder)trans-112.6105.5174.9-61.90000109R286 L287 I288 C352R286-T335 HydrophobicContact CB-CG2 4.03Å; R286-T335 HydrophobicContact CG-CG2 4.37Å; L287-T335 WeakPolarHBondContact O-CA 3.43Å; I288-T335 HydrophobicContact CG1-CG2 3.93Å; T335-C352 PolarHBondContact O-SG 2.88Å
336Y92.9Very high85.7Confident42 Ų4253.5 Ų53.517%0.16529%0.293CS..EExtended strand (participates in β ladder)trans-87.1148.1174.7-59.1-95.1000109.5R286 L287 L330 A331 M334 A349 R350 C352R286-Y336 CarbonylContact C-O 3.47Å; R286-Y336 VanDerWaalsContact CA-O 3.23Å; R286-Y336 WeakPolarHBondContact CA-O 3.15Å; L287-Y336 PolarHBondContact N-O 3.24Å; L287-Y336 PolarHBondContact O-N 3.4Å; L330-Y336 HydrophobicContact CB-CD2 4.28Å; L330-Y336 HydrophobicContact CB-CE2 3.74Å; L330-Y336 HydrophobicContact CD1-CD2 4.09Å; L330-Y336 HydrophobicContact CD1-CE2 4.4Å; L330-Y336 HydrophobicContact CD2-CD1 4.3Å; L330-Y336 HydrophobicContact CD2-CD2 3.9Å; L330-Y336 HydrophobicContact CD2-CE1 4.23Å; L330-Y336 HydrophobicContact CD2-CE2 3.84Å; L330-Y336 HydrophobicContact CD2-CG 4.14Å; L330-Y336 HydrophobicContact CG-CD2 4.31Å; L330-Y336 HydrophobicContact CG-CE2 4.18Å; A331-Y336 WeakPolarHBondContact CB-OH 3.3Å; A331-Y336 PolarHBondContact N-OH 2.83Å; M334-Y336 HydrophobicContact CB-CD2 4.34Å; M334-Y336 HydrophobicContact CB-CE2 3.65Å; Y336-A349 HydrophobicContact CD1-CB 4.28Å; Y336-A349 HydrophobicContact CG-CB 4.29Å; Y336-R350 CarbonylContact C-O 3.45Å; Y336-R350 VanDerWaalsContact CA-O 3.3Å; Y336-R350 WeakPolarHBondContact CA-O 3.31Å; Y336-R350 WeakPolarHBondContact CB-O 3.39Å; Y336-C352 VanDerWaalsContact C-SG 3.54Å
337C91.4Very high85.3Confident0 Ų055.3 Ų55.30%029%0.294CS..EExtended strand (participates in β ladder)trans-95.4126.1174.1-89.30000109.8A214 S339 R350 C352 L356A214-C337 WeakPolarHBondContact CB-SG 3.1Å; C337-S339 PolarHBondContact O-N 3.14Å; C337-R350 PolarHBondContact N-O 3.08Å; C337-R350 PolarHBondContact O-N 2.81Å; C337-R350 VanDerWaalsContact O-N 3.15Å; C337-C352 WeakPolarHBondContact CA-SG 3.49Å; C337-C352 HydrophobicContact CB-CB 4Å; C337-C352 WeakPolarHBondContact CB-SG 3.49Å; C337-C352 PolarHBondContact N-SG 3.2Å; C337-C352 WeakPolarHBondContact SG-CA 3.49Å; C337-C352 WeakPolarHBondContact SG-CB 3.36Å; C337-C352 CovalentContact SG-SG 2.04Å; C337-C352 PolarHBondContact SG-SG 3.02Å; C337-L356 HydrophobicContact CB-CD1 4.35Å
338L89.1Confident85.2Confident2 Ų256.6 Ų56.61%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-72.7124.6178.8-178.565.9000108.6W282 T283 G285 L287 L307 W309 L320 W347W282-L338 VanDerWaalsContact CD1-O 3.28Å; T283-L338 PolarHBondContact N-O 3.28Å; T283-L338 PolarHBondContact OG1-O 3.2Å; G285-L338 PolarHBondContact O-N 2.93Å; L287-L338 HydrophobicContact CD1-CD1 4.31Å; L307-L338 HydrophobicContact CD1-CD2 3.98Å; W309-L338 HydrophobicContact CH2-CD2 4.19Å; W309-L338 HydrophobicContact CZ3-CD2 4.48Å; L320-L338 HydrophobicContact CD1-CD1 3.7Å; L320-L338 HydrophobicContact CD1-CD2 3.73Å; L320-L338 HydrophobicContact CD1-CG 4.36Å; L320-L338 HydrophobicContact CD2-CD2 4.04Å; L338-W347 HydrophobicContact CD1-CB 4.27Å; L338-W347 HydrophobicContact CD1-CD2 4.19Å; L338-W347 HydrophobicContact CD1-CE3 3.59Å; L338-W347 HydrophobicContact CD1-CG 4.5Å; L338-W347 HydrophobicContact CD1-CZ3 4.26Å; L338-W347 HydrophobicContact CD2-CE3 3.93Å; L338-W347 HydrophobicContact CD2-CH2 4.41Å; L338-W347 HydrophobicContact CD2-CZ3 3.79Å; L338-W347 HydrophobicContact CG-CE3 3.61Å; L338-W347 HydrophobicContact CG-CZ3 3.75Å
339S87.1Confident85.1Confident0 Ų054.7 Ų54.70%030%0.295CS..EExtended strand (participates in β ladder)trans-140.6138.5-172.459.80000111.4S280 Y281 C337 Q348 R350S280-S339 WeakPolarHBondContact CB-OG 3.4Å; Y281-S339 CarbonylContact O-C 3.45Å; Y281-S339 WeakPolarHBondContact O-CA 3.49Å; C337-S339 PolarHBondContact O-N 3.14Å; S339-Q348 PolarHBondContact N-O 3.42Å; S339-Q348 PolarHBondContact O-N 2.95Å; S339-Q348 PolarHBondContact OG-O 2.93Å; S339-R350 WeakPolarHBondContact OG-CG 3.45Å
340L81.2Confident84.9Confident44 Ų4452.7 Ų52.723%0.2328%0.278CS..EExtended strand (participates in β ladder)trans-100.9112.9-175.4179.264.5000109.3S280 Y281 T283 I342 W347S280-L340 CarbonylContact C-O 3.59Å; S280-L340 WeakPolarHBondContact CA-O 3.27Å; Y281-L340 PolarHBondContact N-O 3.11Å; Y281-L340 PolarHBondContact O-N 3.46Å; T283-L340 HydrophobicContact CG2-CB 3.85Å; L340-I342 HydrophobicContact CD2-CG1 4.33Å; L340-I342 HydrophobicContact CG-CG1 4.28Å; L340-I342 PolarHBondContact O-N 3.23Å; L340-W347 HydrophobicContact CB-CE3 4.16Å; L340-W347 HydrophobicContact CB-CH2 4.49Å; L340-W347 HydrophobicContact CB-CZ3 3.95Å; L340-W347 HydrophobicContact CD1-CD2 4.27Å; L340-W347 HydrophobicContact CD1-CE3 4.34Å
341D78.7Confident84.8Confident1 Ų154.2 Ų54.21%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-79.190.8173.5-169.6-2.4000109.4A343 R344 L345 T346 Q348D341-A343 PolarHBondContact O-N 2.93Å; D341-A343 VanDerWaalsContact O-N 3.14Å; D341-R344 HydrophobicContact CB-CB 4.44Å; D341-R344 CarbonylContact O-C 3.55Å; D341-R344 PolarHBondContact O-N 3.44Å; D341-R344 WeakPolarHBondContact OD2-CD 3.43Å; D341-L345 WeakPolarHBondContact O-CA 3.28Å; D341-L345 PolarHBondContact O-N 2.9Å; D341-T346 PolarHBondContact N-O 3.42Å; D341-T346 PolarHBondContact O-N 3.23Å; D341-Q348 HydrophobicContact CB-CG 4.34Å; D341-Q348 PolarHBondContact OD2-NE2 3.09Å
342I69.8Low84.5Confident11 Ų1152.8 Ų52.86%0.05627%0.273CS..THydrogen-bonded Turntrans-56.6-30.6-174.1-67.2-173.8000112.2L199 V270 Y281 L340 R344L199-I342 HydrophobicContact CD2-CD1 4.04Å; V270-I342 HydrophobicContact CB-CG2 4.13Å; V270-I342 HydrophobicContact CG1-CG2 3.82Å; V270-I342 HydrophobicContact CG2-CG2 3.3Å; Y281-I342 HydrophobicContact CD1-CD1 4.17Å; Y281-I342 HydrophobicContact CD2-CB 4.3Å; Y281-I342 HydrophobicContact CD2-CD1 3.5Å; Y281-I342 VanDerWaalsContact CD2-CD1 3.5Å; Y281-I342 HydrophobicContact CD2-CG1 3.68Å; Y281-I342 HydrophobicContact CE1-CD1 4.24Å; Y281-I342 HydrophobicContact CE2-CB 4.22Å; Y281-I342 HydrophobicContact CE2-CD1 3.62Å; Y281-I342 HydrophobicContact CE2-CG1 3.98Å; Y281-I342 HydrophobicContact CG-CD1 3.82Å; Y281-I342 HydrophobicContact CG-CG1 4.31Å; L340-I342 HydrophobicContact CD2-CG1 4.33Å; L340-I342 HydrophobicContact CG-CG1 4.28Å; L340-I342 PolarHBondContact O-N 3.23Å; I342-R344 VanDerWaalsContact C-N 3.28Å; I342-R344 PolarHBondContact O-N 3.03Å
343A68.9Low84.3Confident58 Ų5856.2 Ų56.248%0.47929%0.289SS..THydrogen-bonded Turntrans-70.8-22.8177.600000113.5D341D341-A343 PolarHBondContact O-N 2.93Å; D341-A343 VanDerWaalsContact O-N 3.14Å
344R76.6Confident84Confident169 Ų16959 Ų5964%0.63829%0.292SS*.THydrogen-bonded Turntrans-112.6-7.2179.3-65.4-177.4172.3-169.6-4.9113.3D341 I342 T346D341-R344 HydrophobicContact CB-CB 4.44Å; D341-R344 CarbonylContact O-C 3.55Å; D341-R344 PolarHBondContact O-N 3.44Å; D341-R344 WeakPolarHBondContact OD2-CD 3.43Å; I342-R344 VanDerWaalsContact C-N 3.28Å; I342-R344 PolarHBondContact O-N 3.03Å; R344-T346 HydrophobicContact CB-CG2 4.42Å; R344-T346 VanDerWaalsContact CB-OG1 3.3Å; R344-T346 WeakPolarHBondContact CB-OG1 3.21Å; R344-T346 PolarHBondContact O-N 3.28Å; R344-T346 VanDerWaalsContact O-N 3.08Å
345L73.5Confident83.5Confident119 Ų11959.4 Ų59.462%0.62329%0.289SS*.THydrogen-bonded Turntrans51.320.7-166.7-58.1176.6000114.6D341D341-L345 WeakPolarHBondContact O-CA 3.28Å; D341-L345 PolarHBondContact O-N 2.9Å
346T78Confident82.8Confident64 Ų6457.6 Ų57.639%0.39328%0.278SS..EExtended strand (participates in β ladder)trans-100.2144.2-177.546.90000113D341 R344D341-T346 PolarHBondContact N-O 3.42Å; D341-T346 PolarHBondContact O-N 3.23Å; R344-T346 HydrophobicContact CB-CG2 4.42Å; R344-T346 VanDerWaalsContact CB-OG1 3.3Å; R344-T346 WeakPolarHBondContact CB-OG1 3.21Å; R344-T346 PolarHBondContact O-N 3.28Å; R344-T346 VanDerWaalsContact O-N 3.08Å
347W82.5Confident81.9Confident116 Ų11656.4 Ų56.444%0.43928%0.275SS..EExtended strand (participates in β ladder)trans-74.2136.2167.6-67.3109.3000110.4T283 L338 L340T283-W347 HydrophobicContact CG2-CH2 4.01Å; T283-W347 HydrophobicContact CG2-CZ3 3.56Å; L338-W347 HydrophobicContact CD1-CB 4.27Å; L338-W347 HydrophobicContact CD1-CD2 4.19Å; L338-W347 HydrophobicContact CD1-CE3 3.59Å; L338-W347 HydrophobicContact CD1-CG 4.5Å; L338-W347 HydrophobicContact CD1-CZ3 4.26Å; L338-W347 HydrophobicContact CD2-CE3 3.93Å; L338-W347 HydrophobicContact CD2-CH2 4.41Å; L338-W347 HydrophobicContact CD2-CZ3 3.79Å; L338-W347 HydrophobicContact CG-CE3 3.61Å; L338-W347 HydrophobicContact CG-CZ3 3.75Å; L340-W347 HydrophobicContact CB-CE3 4.16Å; L340-W347 HydrophobicContact CB-CH2 4.49Å; L340-W347 HydrophobicContact CB-CZ3 3.95Å; L340-W347 HydrophobicContact CD1-CD2 4.27Å; L340-W347 HydrophobicContact CD1-CE3 4.34Å
348Q87.3Confident81.1Confident31 Ų3156.4 Ų56.415%0.14528%0.275CS..EExtended strand (participates in β ladder)trans-133.4130.4179.1-67.5175.67.500109.7S280 S339 D341S280-Q348 PolarHBondContact OG-OE1 2.96Å; S339-Q348 PolarHBondContact N-O 3.42Å; S339-Q348 PolarHBondContact O-N 2.95Å; S339-Q348 PolarHBondContact OG-O 2.93Å; D341-Q348 HydrophobicContact CB-CG 4.34Å; D341-Q348 PolarHBondContact OD2-NE2 3.09Å
349A89.5Confident80.2Confident42 Ų4257 Ų5735%0.34728%0.28SS..EExtended strand (participates in β ladder)trans-78116.6165.100000108.3L287 L330 Y336L287-A349 HydrophobicContact CD1-CB 4.1Å; L330-A349 HydrophobicContact CD2-CB 3.91Å; Y336-A349 HydrophobicContact CD1-CB 4.28Å; Y336-A349 HydrophobicContact CG-CB 4.29Å
350R87.7Confident79.4Confident85 Ų8557.4 Ų57.432%0.32128%0.283SS..EExtended strand (participates in β ladder)trans-116.8157.7173.9-66.3-67.2-173173.1-3.1108.9S280 Y336 C337 S339 C352 L356S280-R350 PolarHBondContact OG-NE 3.47Å; S280-R350 PolarHBondContact OG-NH2 2.88Å; Y336-R350 CarbonylContact C-O 3.45Å; Y336-R350 VanDerWaalsContact CA-O 3.3Å; Y336-R350 WeakPolarHBondContact CA-O 3.31Å; Y336-R350 WeakPolarHBondContact CB-O 3.39Å; C337-R350 PolarHBondContact N-O 3.08Å; C337-R350 PolarHBondContact O-N 2.81Å; C337-R350 VanDerWaalsContact O-N 3.15Å; S339-R350 WeakPolarHBondContact OG-CG 3.45Å; R350-C352 PolarHBondContact O-N 3.5Å; R350-L356 HydrophobicContact CB-CD1 4.08Å; R350-L356 HydrophobicContact CB-CD2 4.22Å; R350-L356 HydrophobicContact CG-CD2 4.18Å
351D87.9Confident78.7Confident49 Ų4960.2 Ų60.226%0.26230%0.298SS..EExtended strand (participates in β ladder)trans-59.7139.2167.3-159.3-53.2000110.2E353 H354D351-E353 PolarHBondContact O-N 2.79Å; D351-E353 WeakPolarHBondContact OD1-CB 3.09Å; D351-E353 PolarHBondContact OD1-N 2.78Å; D351-H354 PolarHBondContact N-ND1 2.76Å; D351-H354 WeakPolarHBondContact O-CB 3.36Å; D351-H354 PolarHBondContact O-N 3.11Å
352C86.9Confident78Confident17 Ų1761.9 Ų61.912%0.11531%0.306CS..THydrogen-bonded Turntrans-68.2-16.9174.4-74.40000113.5A214 T335 Y336 C337 R350A214-C352 HydrophobicContact CB-CB 3.83Å; A214-C352 PolarHBondContact N-O 2.86Å; T335-C352 PolarHBondContact O-SG 2.88Å; Y336-C352 VanDerWaalsContact C-SG 3.54Å; C337-C352 WeakPolarHBondContact CA-SG 3.49Å; C337-C352 HydrophobicContact CB-CB 4Å; C337-C352 WeakPolarHBondContact CB-SG 3.49Å; C337-C352 PolarHBondContact N-SG 3.2Å; C337-C352 WeakPolarHBondContact SG-CA 3.49Å; C337-C352 WeakPolarHBondContact SG-CB 3.36Å; C337-C352 CovalentContact SG-SG 2.04Å; C337-C352 PolarHBondContact SG-SG 3.02Å; R350-C352 PolarHBondContact O-N 3.5Å
353E86.5Confident77.5Confident160 Ų16065.2 Ų65.275%0.74833%0.327SS*.THydrogen-bonded Turntrans-79.5-15.3171.8-60.7-157.6168.200113.4T213 D351T213-E353 WeakPolarHBondContact CG2-O 3.31Å; D351-E353 PolarHBondContact O-N 2.79Å; D351-E353 WeakPolarHBondContact OD1-CB 3.09Å; D351-E353 PolarHBondContact OD1-N 2.78Å
354H84.4Confident76.9Confident94 Ų9469.2 Ų69.244%0.43533%0.33SS..SBendtrans-63.7145.8173-67.2155.7000111.8D351 L356D351-H354 PolarHBondContact N-ND1 2.76Å; D351-H354 WeakPolarHBondContact O-CB 3.36Å; D351-H354 PolarHBondContact O-N 3.11Å; H354-L356 HydrophobicContact CB-CD2 4.1Å; H354-L356 HydrophobicContact CB-CG 4.26Å; H354-L356 PolarHBondContact O-N 3.13Å; H354-L356 VanDerWaalsContact O-N 3.13Å
355R82.4Confident75.9Confident94 Ų9470.8 Ų70.836%0.35534%0.336SS..  trans-79.191.9172.9-73.9-179.8176.5-93.20.6109.9E204 G211E204-R355 IonicContact OE2-CZ 3.81Å; E204-R355 IonicContact OE2-NH1 3.69Å; E204-R355 PolarHBondContact OE2-NH1 3.32Å; E204-R355 IonicContact OE2-NH2 2.75Å; E204-R355 PolarHBondContact OE2-NH2 2.85Å; G211-R355 PolarHBondContact O-NH1 2.83Å
356L76.6Confident74.6Confident12 Ų1270.6 Ų70.66%0.06334%0.335CS..BIsolated β-bridgetrans-96.7143.2179.3-56.3175.9000110.4G211 L212 W282 C337 R350 H354G211-L356 CarbonylContact C-O 3.6Å; G211-L356 WeakPolarHBondContact CA-O 3.08Å; L212-L356 PolarHBondContact N-O 2.9Å; L212-L356 PolarHBondContact O-N 3.22Å; W282-L356 HydrophobicContact CB-CB 4.09Å; W282-L356 HydrophobicContact CB-CD1 3.99Å; C337-L356 HydrophobicContact CB-CD1 4.35Å; R350-L356 HydrophobicContact CB-CD1 4.08Å; R350-L356 HydrophobicContact CB-CD2 4.22Å; R350-L356 HydrophobicContact CG-CD2 4.18Å; H354-L356 HydrophobicContact CB-CD2 4.1Å; H354-L356 HydrophobicContact CB-CG 4.26Å; H354-L356 PolarHBondContact O-N 3.13Å; H354-L356 VanDerWaalsContact O-N 3.13Å
357P73.5Confident72.9Confident17 Ų1772.2 Ų72.211%0.1135%0.345CS..  trans-54.4147.4156.3-19.332.3000109.3Y281 W282Y281-P357 CarbonylContact C-O 3.56Å; Y281-P357 WeakPolarHBondContact CA-O 3.49Å; Y281-P357 HydrophobicContact CD1-CB 3.64Å; Y281-P357 HydrophobicContact CD2-CB 4.45Å; Y281-P357 HydrophobicContact CE1-CB 3.76Å; Y281-P357 HydrophobicContact CG-CB 4.01Å; W282-P357 PolarHBondContact N-O 2.91Å
358Y75.2Confident70.9Confident0 Ų075.2 Ų75.20%036%0.361CS..EExtended strand (participates in β ladder)trans-127.4160.8179.372.3-102.7000114.3A200 T202 L212 A217 A220 F224 C360A200-Y358 CarbonylContact C-O 3.52Å; A200-Y358 HydrophobicContact CB-CD2 4.16Å; A200-Y358 HydrophobicContact CB-CE2 3.65Å; A200-Y358 PolarHBondContact N-O 2.85Å; T202-Y358 HydrophobicContact CG2-CD1 4.48Å; T202-Y358 HydrophobicContact CG2-CE1 3.64Å; T202-Y358 HydrophobicContact CG2-CE2 4.49Å; T202-Y358 WeakPolarHBondContact CG2-OH 3.49Å; T202-Y358 WeakPolarHBondContact OG1-CD1 3.3Å; T202-Y358 WeakPolarHBondContact OG1-CE1 3.38Å; L212-Y358 HydrophobicContact CB-CD1 4.24Å; L212-Y358 HydrophobicContact CB-CE1 4.4Å; L212-Y358 HydrophobicContact CD1-CD1 4.14Å; L212-Y358 HydrophobicContact CD1-CE1 3.47Å; L212-Y358 VanDerWaalsContact CD1-CE1 3.47Å; L212-Y358 HydrophobicContact CG-CD1 4.2Å; L212-Y358 HydrophobicContact CG-CE1 3.91Å; A217-Y358 HydrophobicContact CB-CD1 3.48Å; A217-Y358 VanDerWaalsContact CB-CD1 3.48Å; A217-Y358 HydrophobicContact CB-CD2 4.4Å; A217-Y358 HydrophobicContact CB-CE1 4.12Å; A217-Y358 HydrophobicContact CB-CG 3.65Å; A220-Y358 HydrophobicContact CB-CE1 4.14Å; A220-Y358 WeakPolarHBondContact CB-OH 3.41Å; F224-Y358 WeakPolarHBondContact CE2-OH 3.35Å; Y358-C360 WeakPolarHBondContact CE2-SG 3.49Å
359A71.1Confident68.8Low15 Ų1579.9 Ų79.912%0.12439%0.386CS..EExtended strand (participates in β ladder)trans-126.6134.9167.700000111.2V197 I198 L199 W282V197-A359 HydrophobicContact CG1-CB 4.17Å; I198-A359 CarbonylContact O-C 3.6Å; I198-A359 WeakPolarHBondContact O-CA 3.5Å; L199-A359 HydrophobicContact CB-CB 4.44Å; L199-A359 HydrophobicContact CG-CB 3.94Å; W282-A359 PolarHBondContact O-N 3.44Å; W282-A359 VanDerWaalsContact O-N 3.09Å
360C69Low66.6Low8 Ų883.5 Ų83.55%0.05440%0.404CS..EExtended strand (participates in β ladder)trans-99.3115.2169.6-50.90000109.4I198 C221 Y358 I362I198-C360 PolarHBondContact N-O 2.77Å; I198-C360 PolarHBondContact O-N 2.92Å; C221-C360 WeakPolarHBondContact CA-SG 3.44Å; C221-C360 HydrophobicContact CB-CB 3.91Å; C221-C360 WeakPolarHBondContact CB-SG 3.41Å; C221-C360 WeakPolarHBondContact SG-CB 3.41Å; C221-C360 CovalentContact SG-SG 2.04Å; C221-C360 PolarHBondContact SG-SG 3.28Å; Y358-C360 WeakPolarHBondContact CE2-SG 3.49Å; C360-I362 HydrophobicContact CB-CG1 4.34Å; C360-I362 PolarHBondContact O-N 2.8Å
361L66.4Low64.5Low103 Ų10383.6 Ų83.654%0.53941%0.414SS..EExtended strand (participates in β ladder)trans-75.1105.4167.2175.661.7000109.6V197 T363V197-L361 HydrophobicContact CG2-CD1 4.01Å; L361-T363 HydrophobicContact CD1-CG2 4.38Å; L361-T363 HydrophobicContact CD2-CG2 4.3Å; L361-T363 HydrophobicContact CG-CG2 4.12Å; L361-T363 PolarHBondContact O-N 2.91Å
362I64.1Low62.4Low35 Ų3586.2 Ų86.218%0.17943%0.432CS..EExtended strand (participates in β ladder)trans-96.395175.7-54.8-163.8000109.4G195 R196 I198 C360G195-I362 CarbonylContact C-O 3.56Å; G195-I362 VanDerWaalsContact CA-O 3.23Å; G195-I362 WeakPolarHBondContact CA-O 3.47Å; R196-I362 PolarHBondContact N-O 2.78Å; R196-I362 PolarHBondContact O-N 3.22Å; I198-I362 HydrophobicContact CD1-CD1 3.63Å; I198-I362 HydrophobicContact CD1-CG1 4.16Å; I198-I362 HydrophobicContact CG1-CD1 4.32Å; I198-I362 HydrophobicContact CG1-CG1 4.32Å; C360-I362 HydrophobicContact CB-CG1 4.34Å; C360-I362 PolarHBondContact O-N 2.8Å
363T59.2Low60.3Low81 Ų8190.7 Ų90.750%0.49746%0.459SS..EExtended strand (participates in β ladder)trans-79.5136.7168.653.10000110.9L361 R365L361-T363 HydrophobicContact CD1-CG2 4.38Å; L361-T363 HydrophobicContact CD2-CG2 4.3Å; L361-T363 HydrophobicContact CG-CG2 4.12Å; L361-T363 PolarHBondContact O-N 2.91Å; T363-R365 PolarHBondContact O-N 2.96Å
364R56.6Low58.2Low143 Ų14386.8 Ų86.854%0.5445%0.449SS..  trans-80.1115.4165-70.8-169.2-178.1-1744.5108.9N366R364-N366 PolarHBondContact O-N 2.78Å
365R55Low56.6Low201 Ų20189.5 Ų89.576%0.75847%0.467SS*.  trans-67.1114.3159.3-73.1-175.9177.1170.5-0.4107.8T363 V367T363-R365 PolarHBondContact O-N 2.96Å; R365-V367 VanDerWaalsContact C-N 3.28Å; R365-V367 PolarHBondContact O-N 2.99Å
366N48Very low55Low115 Ų11590.3 Ų90.362%0.61549%0.487SS*.  trans-70.588.4168.7-72.5-18.8000108.3R364 F368R364-N366 PolarHBondContact O-N 2.78Å; N366-F368 HydrophobicContact CB-CE2 4.36Å; N366-F368 WeakPolarHBondContact O-CD2 3.46Å; N366-F368 PolarHBondContact O-N 3.08Å; N366-F368 VanDerWaalsContact O-N 3.12Å
367V42Very low53.4Low99 Ų9993.7 Ų93.760%0.651%0.512SS*.  trans-71.3103.4168.7-178.40000107.1R365 I369R365-V367 VanDerWaalsContact C-N 3.28Å; R365-V367 PolarHBondContact O-N 2.99Å; V367-I369 PolarHBondContact O-N 3.18Å; V367-I369 VanDerWaalsContact O-N 3.09Å
368F40.6Very low51.8Low178 Ų17898.5 Ų98.578%0.78154%0.541SS*.  trans-67.3105.7173.5-74.9-89.4000109N366 T370N366-F368 HydrophobicContact CB-CE2 4.36Å; N366-F368 WeakPolarHBondContact O-CD2 3.46Å; N366-F368 PolarHBondContact O-N 3.08Å; N366-F368 VanDerWaalsContact O-N 3.12Å; F368-T370 PolarHBondContact O-N 2.81Å
369I43Very low50.2Low129 Ų129102.8 Ų102.866%0.66257%0.566SS**  trans-75.993.8170.8-56.9177.1000107.1V367 T371V367-I369 PolarHBondContact O-N 3.18Å; V367-I369 VanDerWaalsContact O-N 3.09Å; I369-T371 VanDerWaalsContact C-N 3.32Å; I369-T371 HydrophobicContact CG2-CG2 4.34Å; I369-T371 PolarHBondContact O-N 2.83Å
370T42.3Very low48.7Very low118 Ų118106.3 Ų106.372%0.72459%0.587SS**  trans-70.888.1173.5-530000109.6F368 T372F368-T370 PolarHBondContact O-N 2.81Å; T370-T372 PolarHBondContact O-N 2.79Å
371T43Very low47.4Very low87 Ų87113.9 Ų113.953%0.53462%0.619SS.*  trans-68.495.1166.542.90000109.5I369 T373I369-T371 VanDerWaalsContact C-N 3.32Å; I369-T371 HydrophobicContact CG2-CG2 4.34Å; I369-T371 PolarHBondContact O-N 2.83Å; T371-T373 PolarHBondContact O-N 3.02Å; T371-T373 VanDerWaalsContact O-N 3.1Å
372T44.8Very low46.1Very low104 Ų104114.7 Ų114.764%0.63863%0.628SS**  trans-67.999.7162.842.60000109.1T370 S374T370-T372 PolarHBondContact O-N 2.79Å; T372-S374 VanDerWaalsContact C-N 3.33Å; T372-S374 PolarHBondContact O-N 3.4Å
373T43.4Very low45Very low111 Ų111119 Ų11968%0.68165%0.651SS**  trans-68.390.5171-510000109.2T371T371-T373 PolarHBondContact O-N 3.02Å; T371-T373 VanDerWaalsContact O-N 3.1Å
374S42.3Very low43.8Very low78 Ų78123.9 Ų123.955%0.54567%0.668SS.*  trans-67.9135.6160.8-1650000108.2T372 S376T372-S374 VanDerWaalsContact C-N 3.33Å; T372-S374 PolarHBondContact O-N 3.4Å; S374-S376 PolarHBondContact O-N 2.84Å
375N50.6Low42.6Very low151 Ų151124.9 Ų124.981%0.80768%0.678SS**SBendtrans-69.6118.5169.7-69.4-26.2000107.3
376S48.5Very low41.6Very low112 Ų112120.8 Ų120.878%0.78367%0.671SS**SBendtrans80121.5-157.6-159.90000114.2S374S374-S376 PolarHBondContact O-N 2.84Å
377S41.7Very low40.9Very low82 Ų82121.4 Ų121.457%0.57367%0.674SS**  trans64.1111.5-179.3-160.30000117.2V379S377-V379 VanDerWaalsContact C-N 3.27Å; S377-V379 PolarHBondContact O-N 2.79Å
378V41.8Very low40.2Very low119 Ų119120.2 Ų120.272%0.72168%0.682SS**  trans-76.280.5166.5-175.90000108.9V380V378-V380 VanDerWaalsContact C-N 3.34Å; V378-V380 HydrophobicContact CG1-CG2 4.16Å; V378-V380 PolarHBondContact O-N 3.14Å
379V40.8Very low39.7Very low89 Ų89116.6 Ų116.654%0.53967%0.674SS.*  trans-73.888.3175.5-175.40000109.4S377 K381S377-V379 VanDerWaalsContact C-N 3.27Å; S377-V379 PolarHBondContact O-N 2.79Å; V379-K381 VanDerWaalsContact C-N 3.33Å; V379-K381 HydrophobicContact CG1-CG 4.2Å; V379-K381 PolarHBondContact O-N 2.89Å
380V39.9Very low39.1Very low90 Ų90119.5 Ų119.555%0.54569%0.685SS.*  trans-65.795.2167.2-177.70000108V378 T382V378-V380 VanDerWaalsContact C-N 3.34Å; V378-V380 HydrophobicContact CG1-CG2 4.16Å; V378-V380 PolarHBondContact O-N 3.14Å; V380-T382 HydrophobicContact CG1-CG2 4.49Å; V380-T382 PolarHBondContact O-N 3.38Å
381K42.1Very low38.5Very low167 Ų167120.2 Ų120.273%0.72668%0.683SS**  trans-68.386.5167.5-70.8-172.3178.1-178.90108.7V379 L383V379-K381 VanDerWaalsContact C-N 3.33Å; V379-K381 HydrophobicContact CG1-CG 4.2Å; V379-K381 PolarHBondContact O-N 2.89Å; K381-L383 PolarHBondContact O-N 3.05Å
382T39Very low37.7Very low120 Ų120120.4 Ų120.474%0.73669%0.688SS**  trans-54.2134.9163.734.40000108.8V380 Q384V380-T382 HydrophobicContact CG1-CG2 4.49Å; V380-T382 PolarHBondContact O-N 3.38Å; T382-Q384 VanDerWaalsContact C-N 3.35Å; T382-Q384 PolarHBondContact O-N 3.37Å
383L39.6Very low36.9Very low126 Ų126120 Ų12066%0.6670%0.695SS**  trans-7393.7179.8-155.880.3000108.7K381 I386K381-L383 PolarHBondContact O-N 3.05Å; L383-I386 HydrophobicContact CD1-CD1 4.23Å; L383-I386 HydrophobicContact CD2-CD1 4.03Å; L383-I386 HydrophobicContact CD2-CG1 4.27Å; L383-I386 HydrophobicContact CG-CD1 4.23Å; L383-I386 HydrophobicContact CG-CG1 4.34Å
384Q34Very low36.2Very low182 Ų182122.3 Ų122.385%0.8570%0.698SS**  trans-56.6141.2169.4-162167.9500108.6T382 I386T382-Q384 VanDerWaalsContact C-N 3.35Å; T382-Q384 PolarHBondContact O-N 3.37Å; Q384-I386 PolarHBondContact O-N 2.8Å
385E32.3Very low35.6Very low164 Ų164129 Ų12977%0.76671%0.712SS**  trans-54.3106.2-158.4-62.7-179.5130.400113.8N387E385-N387 PolarHBondContact O-N 3.14Å
386I34.2Very low34.6Very low116 Ų116126 Ų12660%0.59570%0.704SS**  trans-75.872.3164.2-50.7-176.6000107.9L383 Q384 G388L383-I386 HydrophobicContact CD1-CD1 4.23Å; L383-I386 HydrophobicContact CD2-CD1 4.03Å; L383-I386 HydrophobicContact CD2-CG1 4.27Å; L383-I386 HydrophobicContact CG-CD1 4.23Å; L383-I386 HydrophobicContact CG-CG1 4.34Å; Q384-I386 PolarHBondContact O-N 2.8Å; I386-G388 PolarHBondContact O-N 2.99Å
387N32.6Very low33.6Very low128 Ų128129.5 Ų129.568%0.68471%0.707SS**  trans-62.9121.6165.9-87.4-53.4000108.7E385E385-N387 PolarHBondContact O-N 3.14Å
388G28.1Very low33Very low74 Ų74131.1 Ų131.176%0.76371%0.714SS**SBendtrans61.171.8164.100000116.3I386I386-G388 PolarHBondContact O-N 2.99Å
389T29.3Very low32.4Very low101 Ų101133.2 Ų133.262%0.6272%0.719SS**  trans-134.2110.4156.4-39.70000110.7I391T389-I391 PolarHBondContact O-N 3.3Å
390Q30.6Very low32Very low190 Ų190133.9 Ų133.989%0.88873%0.728SS**  trans-76.2110.2175.2-172.7179.563.200108.3S392Q390-S392 PolarHBondContact O-N 3.02Å; Q390-S392 VanDerWaalsContact O-N 3.16Å
391I29.4Very low31.7Very low133 Ų133139.1 Ų139.168%0.68274%0.743SS**  trans-66.3116175.1-58.2175.5000107.6T389 A393T389-I391 PolarHBondContact O-N 3.3Å; I391-A393 PolarHBondContact O-N 2.94Å
392S26.8Very low31.3Very low91 Ų91136.8 Ų136.864%0.63675%0.747SS**  trans-61.7125.8-177.8-174.70000111.1Q390 H394Q390-S392 PolarHBondContact O-N 3.02Å; Q390-S392 VanDerWaalsContact O-N 3.16Å; S392-H394 PolarHBondContact O-N 3.29Å
393A28.2Very low31Very low96 Ų96142.8 Ų142.879%0.79376%0.757SS**  trans-80.649.6179.800000111.9I391I391-A393 PolarHBondContact O-N 2.94Å
394H27.4Very low30.7Very low159 Ų159145.2 Ų145.274%0.73677%0.765SS**  trans-108.444.5-172.2-149.5-69.5000113.1S392 S396S392-H394 PolarHBondContact O-N 3.29Å; H394-S396 PolarHBondContact O-N 2.92Å
395Y30.8Very low30.7Very low218 Ų218143.1 Ų143.186%0.85577%0.765SS**  trans-77.2104.1170.1-104.5-89.4000110H397Y395-H397 PolarHBondContact O-N 2.69Å
396S28.9Very low30.8Very low89 Ų89140.6 Ų140.662%0.62276%0.76SS**  trans-66.7127.5170.2-1790000110.1H394 V398H394-S396 PolarHBondContact O-N 2.92Å; S396-V398 VanDerWaalsContact C-N 3.25Å; S396-V398 PolarHBondContact O-N 2.72Å
397H27.5Very low30.9Very low185 Ų185143.4 Ų143.486%0.85678%0.776SS**  trans-76.675.6170.8-83.7-94.4000110.5Y395 I399Y395-H397 PolarHBondContact O-N 2.69Å; H397-I399 PolarHBondContact O-N 2.99Å
398V29.7Very low30.9Very low117 Ų117145.2 Ų145.271%0.70978%0.78SS**  trans-75.7111.2167-179.60000108.7S396 S400S396-V398 VanDerWaalsContact C-N 3.25Å; S396-V398 PolarHBondContact O-N 2.72Å; V398-S400 PolarHBondContact O-N 2.75Å; V398-S400 VanDerWaalsContact O-N 3.1Å
399I28.3Very low31.1Very low163 Ų163147.5 Ų147.584%0.83678%0.784SS**  trans-71.3101.7173.7-59.3172.5000108.3H397H397-I399 PolarHBondContact O-N 2.99Å
400S32.4Very low31Very low103 Ų103148.2 Ų148.272%0.7279%0.793SS**  trans-100113.7174.4-169.10000110.7V398 S402V398-S400 PolarHBondContact O-N 2.75Å; V398-S400 VanDerWaalsContact O-N 3.1Å; S400-S402 PolarHBondContact O-N 3.23Å
401K33.8Very low31.1Very low200 Ų200145.4 Ų145.487%0.8779%0.789SS**  trans-72.5100.1169.6-84.1-178.5173175.60109.1R403K401-R403 PolarHBondContact O-N 2.94Å
402S33.4Very low31.1Very low117 Ų117145.2 Ų145.282%0.81880%0.795SS**  trans-69.896.1170.744.40000111.1S400S400-S402 PolarHBondContact O-N 3.23Å
403R34.6Very low31.5Very low246 Ų246147 Ų14793%0.92880%0.801SS**  trans-69.8133.7154.9-95.9-169.4170.5-163.9-2.3108.6K401K401-R403 PolarHBondContact O-N 2.94Å
404Q31.9Very low31.7Very low177 Ų177148.6 Ų148.683%0.82780%0.795SS**  trans-91.5121.8-178.3-173.6175.913.700109.8
405T35.4Very low31.9Very low139 Ų139148.8 Ų148.885%0.85380%0.802SS**  trans-131.3126.1162.729.40000108.4
406V34.1Very low32.1Very low111 Ų111143.6 Ų143.667%0.67379%0.793SS**  trans-89.8135.1177.9175.60000108.5E408V406-E408 HydrophobicContact CG1-CG 4.47Å
407L35.3Very low32.2Very low175 Ų175144.8 Ų144.892%0.91680%0.801SS**  trans-147.3137150.3-145.371.7000109.5
408E33.3Very low32.5Very low165 Ų165142.3 Ų142.377%0.77180%0.798SS**  trans-91.2151.4-171.2-59.6171.9109.500111.8V406V406-E408 HydrophobicContact CG1-CG 4.47Å
409S32.3Very low32.7Very low123 Ų123143.5 Ų143.586%0.8680%0.801SS**  trans-161.578.8163.2-79.90000110.1
410S27.8Very low33.1Very low116 Ų116139.9 Ų139.981%0.81180%0.795SS**  trans-85.5117.8174.5-68.70000110.9
411T32.1Very low33.2Very low131 Ų131142 Ų14280%0.80480%0.799SS**  trans-123.688.6167.150.80000111V413T411-V413 PolarHBondContact O-N 3.44Å
412T30Very low33.4Very low129 Ų129141.7 Ų141.779%0.79180%0.8SS**  trans-73.1117.5166.3-54.30000109.2I414T412-I414 HydrophobicContact CG2-CG1 4.35Å
413V34Very low33.5Very low127 Ų127141.4 Ų141.477%0.7780%0.798SS**  trans-111.6114.4169.4-178.80000109.1T411T411-V413 PolarHBondContact O-N 3.44Å
414I32.2Very low33.8Very low130 Ų130139.4 Ų139.467%0.66780%0.799SS**  trans-84126.5176.8-54.7169.2000107.9T412 T416T412-I414 HydrophobicContact CG2-CG1 4.35Å; I414-T416 WeakPolarHBondContact CG2-OG1 3.35Å
415N33Very low34.2Very low164 Ų164138 Ų13888%0.87780%0.798SS**  trans-101.387.5167.5-108.7-15.4000109.6
416T34.8Very low34.1Very low109 Ų109135.8 Ų135.867%0.66979%0.788SS**  trans-78.2140.4175.4-52.30000110.5I414I414-T416 WeakPolarHBondContact CG2-OG1 3.35Å
417S29.8Very low34.1Very low114 Ų114139.1 Ų139.180%0.79780%0.796SS**  trans-68.6132.1171.546.60000112.2
418V34.3Very low34Very low132 Ų132136.5 Ų136.580%0.879%0.787SS**  trans-133.4129159-175.70000109.1
419N34.8Very low34.1Very low143 Ų143136.5 Ų136.577%0.76579%0.791SS**  trans-86.7120.1175.9-17721.7000109.5
420A35.7Very low34.1Very low86 Ų86135.9 Ų135.971%0.71179%0.787SS**  trans-100.186.6-174.400000112Q422A420-Q422 PolarHBondContact O-N 2.87Å
421N35.6Very low35.1Very low149 Ų149136 Ų13680%0.79779%0.785SS**  trans-70.2124.4158.5-79.2-18.4000108.7
422Q36.2Very low35.2Very low192 Ų192134.1 Ų134.190%0.89778%0.777SS**  trans-127.6122.5161.1-76.7-167.8-10.500110.2A420A420-Q422 PolarHBondContact O-N 2.87Å
423S37.1Very low35.6Very low112 Ų112134.9 Ų134.978%0.78378%0.775SS**  trans-120.5119.6157.857.10000107
424E39.9Very low36Very low203 Ų203137.1 Ų137.195%0.94978%0.777SS**  trans-163.9176.6146.3-115.1164.4-143.500111.6
425N41.2Very low36.4Very low148 Ų148136.2 Ų136.279%0.79178%0.78SS**  trans-109.4162.1-147.9-165.117.5000114.6
426S33Very low36.7Very low93 Ų93136.2 Ų136.265%0.6578%0.779SS**  trans-51.2130.4-174.6-45.20000116.1
427Q33.9Very low36.8Very low181 Ų181140 Ų14085%0.84679%0.785SS**  180121.2113.4-94.4170.23300109.4
428T32.8Very low37Very low119 Ų119139.9 Ų139.973%0.7379%0.785SS**  7496.878.8-52.60000114
429I36Very low37.1Very low166 Ų166140 Ų14085%0.85179%0.786SS**  -177135.4128-91.8153.7000109.1
430S32.8Very low37.3Very low109 Ų109139.1 Ų139.176%0.76279%0.788SS**  trans-138.3-172.8172.6-37.60000107.1
431P47.2Very low37.2Very low120 Ų120139.4 Ų139.478%0.77979%0.791SS**  cis-128-150.6-15.339.8-20.8000110.4
432S34.3Very low36.7Very low91 Ų91137.6 Ų137.664%0.63679%0.79SS**  159109.6115.7-179.70000116.1
433L39Very low36.3Very low144 Ų144136.7 Ų136.775%0.75479%0.789SS**  trans59.2153.8140.4-56.4174.8000121.8
434E43.5Very low35.8Very low174 Ų174137.2 Ų137.281%0.81379%0.788SS**  cis-167.5167.9-43.4-115.9-167.3163.100109.8
435P40Very low35.3Very low112 Ų112135.6 Ų135.673%0.72778%0.784SS**  trans-113.6165.8-165.342.1-36.5000117.4
436I38.3Very low34.6Very low164 Ų164132.7 Ų132.784%0.84178%0.78SS**  trans-145112.2162.9-51.2179.2000106.4
437K37.4Very low34.9Very low187 Ų187133.7 Ų133.781%0.81379%0.785SS**  83.7111.153.3-177.4-166.5177.4-175.30113.9
438S33.4Very low34.9Very low112 Ų112132.5 Ų132.578%0.78378%0.784SS**  177.7138.9125.5-76.70000115.2
439T37.8Very low34.8Very low134 Ų134132.8 Ų132.882%0.82278%0.781SS**  trans-104.8-173.2162.311.50000108.5
440P39.2Very low34.7Very low125 Ų125129.7 Ų129.781%0.81277%0.77SS**  cis-114.8-127.28.327.7-1.6000111.3
441A32.5Very low34.7Very low93 Ų93132.2 Ų132.277%0.76977%0.77SS**  cis-157.4-178.56.800000112.6
442S24.9Very low34Very low111 Ų111132.3 Ų132.378%0.77676%0.764SS**  trans-140.4163.817957.10000111.1
443I28.8Very low33.8Very low172 Ų172132.3 Ų132.388%0.88276%0.764SS**  trans-150.1150.7160.6-111.4164000110.6
444T25.5Very low33.1Very low123 Ų123131.1 Ų131.176%0.75576%0.763SS**  trans-130.6150.3-178.1-570000108.5
445I30.1Very low32.4Very low169 Ų169131 Ų13187%0.86777%0.767SS**  trans-167.3158152.6-103.4147.9000110.1
446A26.5Very low31.6Very low87 Ų87135.4 Ų135.472%0.71977%0.769SS**  trans-127.2-151.9-177.400000111.4
447P38.4Very low31.2Very low115 Ų115135.5 Ų135.575%0.74777%0.769SS**  -125.4154.6-10738.2-21.8000116.6
448N33.7Very low30.9Very low155 Ų155136 Ų13683%0.82977%0.767SS**  trans177.6158.6159.3-100.4-20000107.3
449N32Very low30.6Very low125 Ų125140.1 Ų140.167%0.66877%0.772SS**  cis-167.8171.2-18.452-23.7000109.3
450T33.3Very low30.3Very low101 Ų101141.4 Ų141.462%0.6277%0.773SS**  trans77.6116.8149.6-51.40000120.5
451E33.9Very low29.9Very low162 Ų162141.4 Ų141.476%0.75777%0.771SS**  trans85.2140.8144.2-80.8175.5-129.100126.7
452N32Very low29.8Very low123 Ų123142.8 Ų142.866%0.65878%0.775SS**  trans72.196.6144.7-87.5-56.5000123.6
453S30.5Very low30.3Very low90 Ų90142.7 Ų142.763%0.62978%0.775SS**  74.9105.5112.4-650000122.7
454T23.8Very low30.5Very low120 Ų120142.7 Ų142.774%0.73677%0.771SS**  65.3107115.7-47.90000120.4
455L28Very low31Very low170 Ų170143.6 Ų143.689%0.8977%0.769SS**  -150.6166.5122.5-141.168.1000112.5
456R24.5Very low31.3Very low206 Ų206143.7 Ų143.778%0.77777%0.766SS**  trans-98.6166.8-174-51.8174.1-179.4-158.7-1.5111
457I29.9Very low31.6Very low165 Ų165146.6 Ų146.685%0.84677%0.77SS**  trans-167.7161.5132.8-101.1154.3000111
458Y31.2Very low31.5Very low197 Ų197147.6 Ų147.677%0.77377%0.774SS**  trans-77.9165.3-156.4-72-107.2000116.4
459F26.2Very low31.8Very low199 Ų199145.6 Ų145.687%0.87377%0.77SS**  trans-80.5157.2158.4-63-101.4000110.3
460N31.2Very low32Very low161 Ų161149 Ų14986%0.86178%0.781SS**  trans-145.3160.7148.7-158.48.7000110.3
461V30.7Very low32.3Very low126 Ų126150.7 Ų150.776%0.76479%0.785SS**  trans-120.7138.2-178.2-174.50000108.7
462S31.4Very low32.6Very low121 Ų121150.7 Ų150.785%0.84679%0.79SS**  trans-103.3116.7172.2-65.40000110.4
463S35.5Very low32.6Very low110 Ų110149.6 Ų149.677%0.76979%0.788SS**  trans-84.6150.7150.544.50000109.1
464E33.2Very low33.2Very low171 Ų171152.2 Ų152.280%0.79980%0.8SS**  trans-111.3125.1179.2-172.9170.2-171.800109.3
465I35.1Very low34Very low142 Ų142152.7 Ų152.773%0.72880%0.803SS**  trans-128.4118.3173.6-61.6176.2000106.8
466Q35.9Very low34.9Very low171 Ų171149.6 Ų149.680%0.79979%0.794SS**  trans-96124.7163.9-74.5-168.7-14.500109.5
467N32.6Very low35.5Very low148 Ų148144.5 Ų144.579%0.79179%0.789SS**  trans-141.7135.1165-104.2-25.9000107.2
468T37.6Very low35.9Very low136 Ų136142.1 Ų142.183%0.83479%0.788SS**  trans-144.9117.1169.3-490000108.1
469P39.6Very low36.2Very low114 Ų114138.1 Ų138.174%0.7479%0.789SS**  trans-95.2170.3-172.937.8-36000112.4
470Q36.4Very low36.7Very low195 Ų195134.9 Ų134.991%0.91179%0.785SS**  trans-135.5146.3154.4-165.3167.7-1.200110
471I38.1Very low37.3Very low138 Ų138132.1 Ų132.171%0.70878%0.776SS**  trans-115.1144.7-175.3-61.4167.8000108.2
472D40.5Very low37.7Very low161 Ų161133 Ų13386%0.86178%0.775SS**  trans-141.3161.2153.3-149.9-18.4000110.3
473T33.2Very low38.2Very low101 Ų101134.1 Ų134.162%0.6278%0.776SS**  trans-149.1121.8-153.1-47.10000115.1
474T43.3Very low38.2Very low144 Ų144134 Ų13488%0.88377%0.771SS**  trans-148.8146.5159.946.20000113
475T39.5Very low38.7Very low130 Ų130134.7 Ų134.780%0.79877%0.774SS**  trans-134.8-169.7-175.117.40000109.4
476P46.2Very low38.9Very low106 Ų106133.6 Ų133.669%0.68877%0.77SS**  cis-130.8-171.1-42.535-17.4000112.1
477S37.1Very low39.1Very low98 Ų98131.9 Ų131.969%0.68577%0.766SS**  155.6136.7119.4-680000116.4
478S38.9Very low39.4Very low116 Ų116131.1 Ų131.181%0.81176%0.762SS**  trans59.2147.6152.249.20000120.5
479S38.8Very low39.4Very low113 Ų113132.8 Ų132.879%0.7976%0.758SS**  cis-164.5157.9-539.90000112
480T36Very low39.5Very low130 Ų130132.3 Ų132.380%0.79875%0.749SS**  trans-111.7-157.7170.958.60000108.9
481P44.1Very low39.6Very low103 Ų103129.6 Ų129.667%0.66974%0.737SS**  cis-143.6-165.1-9.428.4-0.6000115.7
482I38.1Very low39.5Very low146 Ų146130 Ų13075%0.74974%0.74SS**  trans72.6118.6154-41.3-175.3000121.4
483V41.5Very low39.5Very low144 Ų144125.9 Ų125.987%0.87374%0.736SS**  -146.3151.3119.3178.30000108.3
484T37Very low39.6Very low107 Ų107130.7 Ų130.766%0.65675%0.748SS**  trans-152.4136.8-178.8-55.60000110.6
485E43Very low39.3Very low185 Ų185128 Ų12886%0.86474%0.74SS**  trans174.1172.7158.1-103.9166.7-156.800111
486N39.9Very low39.1Very low120 Ų120127.7 Ų127.764%0.64274%0.738SS**  -162.7138.1-74.4-93.8-16000112.3
487N40.8Very low38.6Very low134 Ų134126.9 Ų126.972%0.71774%0.735SS**  trans64.6123.9146.1-60.3-22.9000124.7
488N38.5Very low38.6Very low132 Ų132130.6 Ų130.671%0.70674%0.742SS**  92.9142.5123.3-89.2-22000125.4
489F37.8Very low38.2Very low172 Ų172130.2 Ų130.275%0.75474%0.739SS**  trans75.2144148.5-90.2-130.5000118.7
490N40.3Very low38Very low104 Ų104130.8 Ų130.856%0.55674%0.738SS**  cis-168.7141.3-8.9-165.931.3000113.9
491Q39.9Very low37.7Very low138 Ų138128.8 Ų128.865%0.64574%0.735SS**  trans55.9135.3143.8-89.9174.669.900126.4
492N36.4Very low37.1Very low146 Ų146132.8 Ų132.878%0.78174%0.744SS**  trans90.3130.2132.1-66.6-17.6000123.5
493G39.4Very low36.6Very low75 Ų75133 Ų13377%0.77375%0.747SS**  trans135.472.5162.200000113.1
494K35.1Very low36Very low201 Ų201132.2 Ų132.287%0.87474%0.737SS**  71.812362.3-164.1-144.6173-1720114.6
495A38.1Very low35.6Very low87 Ų87133.6 Ų133.672%0.71974%0.736SS**  trans108145.3155.400000116.8
496V34.5Very low34.8Very low124 Ų124133 Ų13375%0.75273%0.731SS**  cis-173.9147.9-33.31110000109.1
497S36.5Very low34.3Very low89 Ų89135 Ų13562%0.62274%0.741SS**  trans63.9159.8163.6-77.70000118.3
498E36.8Very low33.7Very low177 Ų177133.9 Ų133.983%0.82774%0.738SS**  cis-146.7146.7-0.8-135.7132.6-114.400111.5
499S30.5Very low33.2Very low107 Ų107135.9 Ų135.975%0.74874%0.743SS**  trans-89.4161.2170.8-420000111.6
500T34.3Very low32.8Very low125 Ų125136.9 Ų136.977%0.76775%0.747SS**  trans162.8103146.7-720000107.2
501A28.8Very low32.5Very low89 Ų89138.3 Ų138.374%0.73676%0.76SS**  69.3100.751.300000114.7
502Q32Very low32.2Very low186 Ų186135.1 Ų135.187%0.86976%0.764SS**  trans-162.4131.2147.2-119.5151.2109.200112.6
503L27.5Very low32.2Very low152 Ų152134.4 Ų134.480%0.79677%0.768SS**  trans-85.6153.5163-61.379.5000108.6
504N29.2Very low32Very low126 Ų126135.5 Ų135.567%0.67477%0.769SS**  -177.7151.7106.1-106.523.5000114.3
505E29.1Very low31.9Very low136 Ų136130.9 Ų130.964%0.63676%0.762SS**  trans57.7110.4145.1-70.9-174.1-102.200120
506K26.3Very low31.9Very low174 Ų174134.8 Ų134.876%0.75777%0.766SS**  81100.968.9168.9-161.2161.6-163.10112.7
507L29.7Very low31.8Very low162 Ų162135 Ų13585%0.84877%0.767SS**  trans-147.8141.5148.4-163.159.6000110.9
508V26.1Very low31.6Very low110 Ų110138.4 Ų138.467%0.66778%0.778SS**  trans-101.4133.9175.3174.20000108.7F510V508-F510 HydrophobicContact CG1-CD2 4.22Å
509H29.6Very low31.5Very low173 Ų173137.1 Ų137.180%0.80178%0.776SS**  trans-139.3138.1163.7-112.546.1000111.7
510F27.9Very low31.5Very low193 Ų193137.9 Ų137.985%0.84678%0.776SS**  trans-132.5127.3178.7-101.2-81.7000108.3V508V508-F510 HydrophobicContact CG1-CD2 4.22Å
511T35.6Very low31.6Very low134 Ų134140.9 Ų140.982%0.82278%0.779SS**  trans-144.6114.3170.135.20000109.8
512G33.8Very low31.9Very low71 Ų71146.3 Ų146.373%0.73279%0.786SS**  trans-84.4-156.8159.600000110.7
513P36.3Very low32.5Very low132 Ų132143.6 Ų143.686%0.85778%0.782SS**  cis-116.9-162.412.837.8-18.9000111.3
514A33.7Very low33.4Very low97 Ų97141.6 Ų141.680%0.80278%0.778SS**  cis-150.9-170.718.300000114.8
515S33.3Very low34.1Very low104 Ų104141.1 Ų141.173%0.72779%0.785SS**  trans-90.4175.8-164.756.80000113.8
516E37.8Very low34.9Very low170 Ų170142 Ų14279%0.79479%0.793SS**  -151.1141.860.8-73.4-168.1151.500117.6
517T32.1Very low35.9Very low128 Ų128139.6 Ų139.679%0.78580%0.795SS**  trans40.1116.7149.660.40000122.7
518N33.9Very low36.6Very low160 Ų160141.6 Ų141.686%0.85680%0.797SS**  trans-147.4161.8137.5-144.9-32.6000111.7
519I33.6Very low37.5Very low150 Ų150141 Ų14177%0.76980%0.804SS**PPolyproline II helixtrans-93.7120.3-160.1-56.7174.5000112.6
520T31.4Very low38.1Very low124 Ų124140.8 Ų140.876%0.76180%0.803SS**PPolyproline II helixtrans-96.9125.1-176.5-61.10000113.7
521F36.2Very low38.6Very low188 Ų188136.6 Ų136.683%0.82580%0.797SS**PPolyproline II helixtrans-82.3129.6163.1-78.5-96.9000110.5V523F521-V523 PolarHBondContact O-N 2.97Å
522K35.6Very low39.5Very low203 Ų203138.9 Ų138.988%0.88380%0.796SS**  trans-78.1106.9178.8-72-169.8175.3-173.20112
523V44Very low40Very low128 Ų128142.2 Ų142.278%0.77680%0.797SS**PPolyproline II helixtrans-79.3137162.3-176.60000108.9F521 S525F521-V523 PolarHBondContact O-N 2.97Å; V523-S525 PolarHBondContact O-N 2.75Å
524P45.7Very low40.7Very low110 Ų110143.1 Ų143.171%0.71480%0.795SS**PPolyproline II helixtrans-66.4121.1171.2-18.131.8000110.7L526P524-L526 PolarHBondContact O-N 3.18Å
525S44.3Very low41.6Very low117 Ų117142.8 Ų142.882%0.81879%0.786SS**PPolyproline II helixtrans-67.6123.7174.852.80000110.9V523V523-S525 PolarHBondContact O-N 2.75Å
526L47.1Very low42.4Very low155 Ų155145 Ų14581%0.81279%0.791SS**PPolyproline II helixtrans-63149.3169.5-82.874.3000110.3P524 K528P524-L526 PolarHBondContact O-N 3.18Å; L526-K528 PolarHBondContact O-N 3.34Å
527P46.7Very low43Very low123 Ų123140.5 Ų140.580%0.79979%0.79SS**PPolyproline II helixtrans-65.2134.217627.9-34.1000110.5A529P527-A529 PolarHBondContact O-N 2.93Å
528K44.1Very low43.9Very low204 Ų204142 Ų14289%0.88779%0.792SS**PPolyproline II helixtrans-59.6130.8164.7-81.7-171.3171.5-172.10108.6L526L526-K528 PolarHBondContact O-N 3.34Å
529A44Very low44.9Very low98 Ų98137.8 Ų137.881%0.8179%0.787SS**PPolyproline II helixtrans-61.1138.1164.300000108.9P527 S531P527-A529 PolarHBondContact O-N 2.93Å; A529-S531 PolarHBondContact O-N 2.84Å
530Q42.8Very low45.9Very low167 Ų167137.5 Ų137.578%0.7879%0.787SS**PPolyproline II helixtrans-74.7125.9176.4-66.5174.5-98.300109
531S39.3Very low47.3Very low105 Ų105139.2 Ų139.273%0.73479%0.792SS**PPolyproline II helixtrans-66.3129160.145.80000108.5A529A529-S531 PolarHBondContact O-N 2.84Å
532F53.7Low48.4Very low183 Ų183137 Ų13780%0.80379%0.789SS**  trans-96.2107.3160.3-79.3-90.1000106.8
533D45.5Very low49.7Very low141 Ų141134.3 Ų134.375%0.75478%0.784SS**  trans-66.6139.7152.3-70-64.2000108.1
534D51.2Low50.6Low151 Ų151134.5 Ų134.581%0.80778%0.78SS**  trans-164.890.9144.3-104.6-30.7000110.6
535S50.8Low51.3Low89 Ų89135.7 Ų135.762%0.62278%0.781SS**  trans61115.6131.7-62.70000122.9
536N49.9Very low52Low152 Ų152137.4 Ų137.481%0.81378%0.781SS**  trans77.8129.1133.4-559.4000119.2
537G50.9Low52.6Low75 Ų75136.6 Ų136.677%0.77378%0.777SS**  trans175.256.6177.200000111
538D52.1Low53.3Low158 Ų158137.8 Ų137.885%0.84578%0.777SS**  trans-62.8148.6179.7-46.6-62.2000111.3
539G53.7Low53.9Low72 Ų72134.1 Ų134.174%0.74277%0.767SS**  trans176.768.5-173.100000111.4
540D55.8Low54.7Low144 Ų144136 Ų13677%0.7776%0.763SS**  trans-61150.5163.7-45.7-71.3000109.9
541D59.5Low55.4Low161 Ų161134.5 Ų134.586%0.86176%0.761SS**  -166.3139.2128.4-95.7-22.7000107.9
542D60.3Low56.5Low142 Ų142136.7 Ų136.776%0.75976%0.764SS**  trans-74.2168-175-54.6-72.8000112.6
543D61.7Low56.8Low145 Ų145134.5 Ų134.578%0.77576%0.761SS**  174.5122.1117.1-87.7-10.6000111.9
544D63.4Low57.5Low132 Ų132135.1 Ų135.171%0.70676%0.764SS**  trans55.2113.4136.8-61.61.4000122.1
545D61.3Low57.9Low135 Ų135135.5 Ų135.572%0.72277%0.766SS**  43.7120.9115.4-56.8-4000119
546N58.8Low58.4Low154 Ų154137.6 Ų137.682%0.82477%0.771SS**  -159.6145.489.4-105.4-90.9000111.9
547D59.8Low58.9Low138 Ų138137.4 Ų137.474%0.73877%0.769SS**  trans-55.9145.5157.8-52.4-59.6000109.5
548D59.9Low59.3Low148 Ų148140.3 Ų140.379%0.79177%0.767SS**  -158.3146.2105.7-126.8-30.1000114
549N58.7Low59.6Low126 Ų126140.6 Ų140.667%0.67477%0.769SS**  trans-56.9144.6174-50.5-92.6000111.3
550N59Low59.8Low138 Ų138142.7 Ų142.774%0.73876%0.763SS**  -165.5144.7102.4-129.958.4000112.7
551D58.3Low59.9Low135 Ų135141.8 Ų141.872%0.72276%0.758SS**  trans-67.9159.4155.6-47.8-77.4000110.1
552D61.4Low59.8Low152 Ų152141.2 Ų141.281%0.81376%0.755SS**  -168.4133.8125.7-98.4-22.6000110.7
553D60.4Low59.8Low137 Ų137142.5 Ų142.573%0.73376%0.762SS**  trans-61.7165.3-177.6-53.4-53.8000113.6
554N60.1Low59.6Low154 Ų154141.7 Ų141.782%0.82476%0.758SS**  trans-169.285.2134.3-94.3-63.2000109.6
555D59.2Low59.1Low159 Ų159141.7 Ų141.785%0.8576%0.758SS**  trans-69.1128.8147-70.2-45.1000107
556D63.1Low58.8Low133 Ų133142 Ų14271%0.71176%0.76SS**  trans-140.481.2176.4-147.75.8000109.3N558D556-N558 PolarHBondContact O-N 2.85Å
557D60.1Low58.6Low147 Ų147140.2 Ų140.279%0.78675%0.75SS**  trans-58.5128.8176.9-73-46.5000110.8
558N59.3Low58.1Low136 Ų136142.1 Ų142.173%0.72775%0.754SS**  trans-139.948171.2-112.7-64.1000111.7D556 N560D556-N558 PolarHBondContact O-N 2.85Å; N558-N560 PolarHBondContact O-N 2.74Å; N558-N560 VanDerWaalsContact O-N 3.12Å
559D57.2Low57.7Low164 Ų164143.1 Ų143.188%0.87776%0.76SS**  trans-62.9101.5157-89.5-16.3000108.4
560N58.7Low56.8Low116 Ų116139.8 Ų139.862%0.6276%0.755SS**  trans-148.9101.9173.8-150.891.2000114.3N558N558-N560 PolarHBondContact O-N 2.74Å; N558-N560 VanDerWaalsContact O-N 3.12Å
561D56.9Low56.4Low125 Ų125140.9 Ų140.967%0.66876%0.761SS**  trans71.9133.8150.2-55.8-18.7000122.2
562D58.5Low55.7Low149 Ų149142.8 Ų142.880%0.79777%0.771SS**  trans48.4110.9142.9-59.7-12.5000120.7
563D60.8Low55.3Low169 Ų169140.4 Ų140.490%0.90477%0.767SS**  -152.6148.995-130-24.6000112.5
564D56.1Low54.9Low129 Ų129138.8 Ų138.869%0.6976%0.763SS**  trans-102.5156.3-156-155.415.1000114.6
565N53.6Low54.9Low131 Ų131140.9 Ų140.970%0.70177%0.766SS**  trans24.5117.8159.3-69.5-57.8000120.8
566N55.4Low55.4Low143 Ų143137.1 Ų137.177%0.76575%0.745SS**  -159.1133.3114.3-142.961.4000117.4
567D54.6Low55.7Low115 Ų115137.7 Ų137.762%0.61575%0.745SS**  trans25.5118.6155-62-36000123.9
568Q48.9Very low56.4Low179 Ų179139.7 Ų139.784%0.83674%0.742SS**  29.6109.7116.6-53.2-173.725.100119.3
569N51.9Low57.1Low169 Ų169140.3 Ų140.390%0.90474%0.74SS**  -161.3149.1100.4-147.2-18.2000111.3
570G39.9Very low57.7Low56 Ų56136.6 Ų136.658%0.57772%0.72SS**  trans-101137.1-174.500000114.4
571N49.5Very low58.4Low160 Ų160140 Ų14086%0.85672%0.724SS**  trans-168.660.8153.6-105.7-28000113.1S573N571-S573 PolarHBondContact O-N 2.04Å
572N44.8Very low59.2Low175 Ų175137.1 Ų137.194%0.93671%0.714SS**  trans-79.585.2176.4-74.62.8000111.7
573S52.6Low59.9Low103 Ų103135 Ų13572%0.7270%0.702SS**  trans-105124.9161.9-168.10000109.1N571N571-S573 PolarHBondContact O-N 2.04Å
574P51Low60.4Low103 Ų103132 Ų13267%0.66969%0.685SS**SBendtrans-70.6133.7-177.928.3-33.6000111.3
575F60.4Low61.2Low198 Ų198130.1 Ų130.187%0.86868%0.676SS**  trans70.189.1-179.5-52.2-81.6000116.2M577F575-M577 PolarHBondContact O-N 3.27Å
576D69.8Low62.2Low80 Ų80128.4 Ų128.443%0.42867%0.667SS.*  trans-72.1120.7160.5-173.1-2.3000109.8R578 E579D576-R578 HydrophobicContact CB-CB 4.47Å; D576-R578 PolarHBondContact O-N 3.42Å; D576-R578 VanDerWaalsContact OD1-CB 3.25Å; D576-R578 WeakPolarHBondContact OD1-CB 3.43Å; D576-R578 PolarHBondContact OD1-N 2.73Å; D576-R578 WeakPolarHBondContact OD2-CB 3.46Å; D576-R578 IonicContact OD2-NE 3.11Å; D576-R578 PolarHBondContact OD2-NE 3.37Å; D576-R578 VanDerWaalsContact OD2-NE 3.11Å; D576-E579 PolarHBondContact O-N 3.19Å
577M70.5Confident62.7Low144 Ų144126.2 Ų126.271%0.70965%0.654SS**Hα-helixtrans-53.5-21171.4-71.5-78.6-78.600113.4F575 L580 R581F575-M577 PolarHBondContact O-N 3.27Å; M577-L580 HydrophobicContact SD-CD2 4.47Å; M577-R581 WeakPolarHBondContact O-CB 3.41Å; M577-R581 PolarHBondContact O-N 3.13Å
578R73.2Confident62.9Low189 Ų189128 Ų12871%0.71366%0.659SS**Hα-helixtrans-66.5-38.6174.6-158.9-173.3-48.3-119.6-5.5112.9D576 R581 S582D576-R578 HydrophobicContact CB-CB 4.47Å; D576-R578 PolarHBondContact O-N 3.42Å; D576-R578 VanDerWaalsContact OD1-CB 3.25Å; D576-R578 WeakPolarHBondContact OD1-CB 3.43Å; D576-R578 PolarHBondContact OD1-N 2.73Å; D576-R578 WeakPolarHBondContact OD2-CB 3.46Å; D576-R578 IonicContact OD2-NE 3.11Å; D576-R578 PolarHBondContact OD2-NE 3.37Å; D576-R578 VanDerWaalsContact OD2-NE 3.11Å; R578-R581 PolarHBondContact O-N 3.04Å; R578-S582 WeakPolarHBondContact O-CB 3.45Å; R578-S582 PolarHBondContact O-N 2.86Å
579E74.1Confident63.6Low149 Ų149123.5 Ų123.570%0.69664%0.643SS**Hα-helixtrans-67.3-45.5174.2-72.2-160122.900110.8D576 R581 S582 L583D576-E579 PolarHBondContact O-N 3.19Å; E579-R581 PolarHBondContact O-N 2.72Å; E579-S582 CarbonylContact O-C 3.59Å; E579-S582 WeakPolarHBondContact O-CA 2.97Å; E579-S582 VanDerWaalsContact O-CB 3.31Å; E579-S582 WeakPolarHBondContact O-CB 3.45Å; E579-S582 PolarHBondContact O-N 3.15Å; E579-L583 PolarHBondContact O-N 2.67Å
580L69.6Low63.9Low86 Ų86122.7 Ų122.745%0.4564%0.638SS.*Hα-helixtrans-57.7-40.1176.7-164.775.1000111.4M577 L583 L584M577-L580 HydrophobicContact SD-CD2 4.47Å; L580-L583 PolarHBondContact O-N 3.48Å; L580-L584 WeakPolarHBondContact O-CD1 3.42Å; L580-L584 PolarHBondContact O-N 2.97Å
581R74.3Confident64.5Low187 Ų187127.2 Ų127.271%0.70664%0.644SS**Hα-helixtrans-69.5-34.7175.6-162.2174.8-170.7-177.33.2112.9M577 R578 E579 N585M577-R581 WeakPolarHBondContact O-CB 3.41Å; M577-R581 PolarHBondContact O-N 3.13Å; R578-R581 PolarHBondContact O-N 3.04Å; E579-R581 PolarHBondContact O-N 2.72Å; R581-N585 PolarHBondContact O-N 2.62Å; R581-N585 VanDerWaalsContact O-N 3.14Å; R581-N585 PolarHBondContact O-OD1 2.96Å
582S74.1Confident64.3Low65 Ų65124.8 Ų124.846%0.45564%0.635SS.*Hα-helixtrans-64.1-44.9171.7-167.10000111.3R578 E579 L584 N585 N586R578-S582 WeakPolarHBondContact O-CB 3.45Å; R578-S582 PolarHBondContact O-N 2.86Å; E579-S582 CarbonylContact O-C 3.59Å; E579-S582 WeakPolarHBondContact O-CA 2.97Å; E579-S582 VanDerWaalsContact O-CB 3.31Å; E579-S582 WeakPolarHBondContact O-CB 3.45Å; E579-S582 PolarHBondContact O-N 3.15Å; S582-L584 PolarHBondContact O-N 3.33Å; S582-N585 PolarHBondContact O-N 3.14Å; S582-N586 PolarHBondContact O-N 3.46Å
583L73.6Confident64.5Low105 Ų105122.8 Ų122.855%0.5563%0.629SS.*Hα-helixtrans-62.8-43.6178.7-157.879000111.9E579 L580 N586 I587E579-L583 PolarHBondContact O-N 2.67Å; L580-L583 PolarHBondContact O-N 3.48Å; L583-N586 PolarHBondContact O-N 3.49Å; L583-I587 HydrophobicContact CG-CD1 4.5Å; L583-I587 WeakPolarHBondContact O-CG1 3.02Å; L583-I587 PolarHBondContact O-N 3.34Å
584L71.6Confident64.3Low105 Ų105124.6 Ų124.655%0.5564%0.636SS.*Hα-helixtrans-61.2-45.8174.7-99.765.2000112.3L580 S582 N586 I587 E588L580-L584 WeakPolarHBondContact O-CD1 3.42Å; L580-L584 PolarHBondContact O-N 2.97Å; S582-L584 PolarHBondContact O-N 3.33Å; L584-N586 VanDerWaalsContact C-N 3.28Å; L584-N586 PolarHBondContact O-N 3.48Å; L584-I587 PolarHBondContact O-N 2.92Å; L584-E588 PolarHBondContact O-N 2.81Å; L584-E588 VanDerWaalsContact O-N 3.11Å
585N72.1Confident64.2Low91 Ų91127.2 Ų127.249%0.48764%0.639SS.*Hα-helixtrans-61.2-37.8176.8-70.3-2.5000111.9R581 S582 E588 T589R581-N585 PolarHBondContact O-N 2.62Å; R581-N585 VanDerWaalsContact O-N 3.14Å; R581-N585 PolarHBondContact O-OD1 2.96Å; S582-N585 PolarHBondContact O-N 3.14Å; N585-E588 PolarHBondContact O-N 3.42Å; N585-T589 PolarHBondContact O-N 2.73Å
586N73.4Confident64.6Low95 Ų95122.6 Ų122.651%0.50863%0.629SS.*Hα-helixtrans-72.4-29.5177.9-74.2-19.6000113.1S582 L583 L584 T589 L590S582-N586 PolarHBondContact O-N 3.46Å; L583-N586 PolarHBondContact O-N 3.49Å; L584-N586 VanDerWaalsContact C-N 3.28Å; L584-N586 PolarHBondContact O-N 3.48Å; N586-T589 PolarHBondContact O-OG1 2.84Å; N586-T589 VanDerWaalsContact O-OG1 3.05Å; N586-L590 WeakPolarHBondContact O-CB 3.31Å; N586-L590 PolarHBondContact O-N 3.41Å
587I67.2Low64.9Low96 Ų96124.2 Ų124.249%0.49264%0.644SS.*Hα-helixtrans-69.8-36.2171.6-68.3164000110.6L583 L584 T589 H591L583-I587 HydrophobicContact CG-CD1 4.5Å; L583-I587 WeakPolarHBondContact O-CG1 3.02Å; L583-I587 PolarHBondContact O-N 3.34Å; L584-I587 PolarHBondContact O-N 2.92Å; I587-T589 VanDerWaalsContact C-N 3.35Å; I587-T589 PolarHBondContact O-N 3.5Å; I587-H591 PolarHBondContact O-CD2 3.49Å
588E59.4Low65Low154 Ų154122.5 Ų122.572%0.7264%0.644SS**Hα-helixtrans-65.9-35.2175.7-170.5165.6-15600112.4L584 N585L584-E588 PolarHBondContact O-N 2.81Å; L584-E588 VanDerWaalsContact O-N 3.11Å; N585-E588 PolarHBondContact O-N 3.42Å
589T62.5Low65Low83 Ų83119.1 Ų119.151%0.50965%0.646SS.*Hα-helixtrans-77.6-37.9174.956.70000113.4N585 N586 I587 H591 T592N585-T589 PolarHBondContact O-N 2.73Å; N586-T589 PolarHBondContact O-OG1 2.84Å; N586-T589 VanDerWaalsContact O-OG1 3.05Å; I587-T589 VanDerWaalsContact C-N 3.35Å; I587-T589 PolarHBondContact O-N 3.5Å; T589-H591 PolarHBondContact O-N 3.31Å; T589-H591 VanDerWaalsContact O-N 3.13Å; T589-T592 WeakPolarHBondContact O-CB 3.41Å; T589-T592 PolarHBondContact O-N 2.95Å; T589-T592 PolarHBondContact O-OG1 3.36Å
590L57.6Low65Low153 Ų153117.8 Ų117.880%0.80165%0.651SS**Hα-helixtrans-64.9-19-176.3-156.271.3000113.8N586N586-L590 WeakPolarHBondContact O-CB 3.31Å; N586-L590 PolarHBondContact O-N 3.41Å
591H54.2Low64.7Low150 Ų150122.6 Ų122.669%0.69467%0.671SS**THydrogen-bonded Turntrans-86.73.5174.5-83-89.6000114.6I587 T589 T593I587-H591 PolarHBondContact O-CD2 3.49Å; T589-H591 PolarHBondContact O-N 3.31Å; T589-H591 VanDerWaalsContact O-N 3.13Å; H591-T593 VanDerWaalsContact C-N 3.33Å; H591-T593 PolarHBondContact O-N 2.82Å
592T44.2Very low63.8Low110 Ų110120 Ų12068%0.67568%0.675SS**  trans-77.478.3173.758.20000112.1T589 T594T589-T592 WeakPolarHBondContact O-CB 3.41Å; T589-T592 PolarHBondContact O-N 2.95Å; T589-T592 PolarHBondContact O-OG1 3.36Å; T592-T594 PolarHBondContact O-N 2.94Å
593T49Very low63.1Low133 Ų133122.9 Ų122.982%0.81669%0.691SS**PPolyproline II helixtrans-58127.8171.952.60000110.7H591 Q595H591-T593 VanDerWaalsContact C-N 3.33Å; H591-T593 PolarHBondContact O-N 2.82Å; T593-Q595 PolarHBondContact O-N 2.97Å
594T48.8Very low62.2Low140 Ų140123.9 Ų123.986%0.85970%0.702SS**PPolyproline II helixtrans-57.2119.1178.232.80000111.2T592T592-T594 PolarHBondContact O-N 2.94Å
595Q49.2Very low61.5Low159 Ų159125.8 Ų125.874%0.74371%0.711SS**PPolyproline II helixtrans-67.7130.7176.3-174-177.7-28.200109.4T593T593-Q595 PolarHBondContact O-N 2.97Å
596P68Low60.2Low101 Ų101125.9 Ų125.966%0.65672%0.724SS**PPolyproline II helixtrans-63.1146.8173.127-34.3000110.5
597P75.4Confident59.3Low113 Ų113127.3 Ų127.373%0.73474%0.736SS**PPolyproline II helixtrans-61.4147.3-176.625.6-34.5000111.7
598P73.4Confident58.3Low109 Ų109128.3 Ų128.371%0.70875%0.747SS**PPolyproline II helixtrans-64.9149.1175.928.9-34.9000111.1
599P73Confident57.9Low117 Ų117128.7 Ų128.776%0.7675%0.752SS**PPolyproline II helixtrans-64.9150.6173.129.3-35000111.1
600P74.1Confident57.1Low122 Ų122130.1 Ų130.179%0.79276%0.761SS**PPolyproline II helixtrans-66.2148.5-17927.9-35.2000112.5T602P600-T602 PolarHBondContact O-N 2.96Å
601E62.8Low56.4Low187 Ų187129.5 Ų129.587%0.87476%0.764SS**PPolyproline II helixtrans-68.8129.1-178.9-62.1-172.8150.100111.8T603E601-T603 PolarHBondContact O-N 3.39Å
602T56.9Low56.2Low131 Ų131128.6 Ų128.680%0.80477%0.771SS**  trans-83.398.2178.2-53.40000110.7P600 T604P600-T602 PolarHBondContact O-N 2.96Å; T602-T604 PolarHBondContact O-N 3.2Å
603T59.4Low56.4Low126 Ų126127.5 Ų127.577%0.77377%0.773SS**  trans-59.3105.2176.4-50.70000111.5E601 I605E601-T603 PolarHBondContact O-N 3.39Å; T603-I605 PolarHBondContact O-N 3.39Å
604T54.8Low56.1Low127 Ų127127.8 Ų127.878%0.77978%0.775SS**  trans-85.6110.4174.9-59.90000109.9T602T602-T604 PolarHBondContact O-N 3.2Å
605I57.1Low56Low145 Ų145127 Ų12774%0.74477%0.77SS**  trans-77.5122.7177.2-59.9175.3000109.3T603T603-I605 PolarHBondContact O-N 3.39Å
606A44.4Very low55.8Low92 Ų92125.4 Ų125.476%0.7678%0.777SS**  trans-89122.1175.600000111.1
607T54.2Low54.7Low126 Ų126126.7 Ų126.777%0.77378%0.783SS**  trans-107.5116.1173.8-580000110.2
608T46.1Very low53.3Low116 Ų116127.7 Ų127.771%0.71279%0.787SS**  trans-84.8131.8-176.2-55.40000112.2T610T608-T610 HydrophobicContact CG2-CG2 3.93Å
609I51.4Low51.9Low163 Ų163128.4 Ų128.484%0.83679%0.789SS**  trans-129.9132.3160.5-60.2-177.7000108.7
610T45.7Very low50.6Low112 Ų112129.4 Ų129.469%0.68779%0.794SS**  trans-118.6141.1-17145.10000112.7T608T608-T610 HydrophobicContact CG2-CG2 3.93Å
611T42.9Very low49.1Very low141 Ų141129.3 Ų129.387%0.86579%0.791SS**  trans-170162.1150.211.70000109.1
612P49.6Very low48.4Very low131 Ų131126.7 Ų126.785%0.85179%0.788SS**  -125.8-169.6-125.439.9-22.6000115.9
613A47Very low47.8Very low87 Ų87125.9 Ų125.972%0.71978%0.783SS**  trans-107.8161.1-163.100000116.2
614T43.2Very low46.9Very low138 Ų138125.8 Ų125.885%0.84779%0.785SS**  trans-151.1115150.536.40000106.8
615T47.1Very low46.7Very low123 Ų123126.7 Ų126.776%0.75578%0.783SS**  cis80.4100.849.4-540000113.7
616S45.6Very low46Very low126 Ų126125.2 Ų125.288%0.88179%0.786SS**  trans-163.7137.5145.2-82.80000110.8
617T44.1Very low46Very low128 Ų128127.6 Ų127.679%0.78579%0.785SS**  trans-103.8162-178.543.40000111.7
618T46.2Very low45.4Very low134 Ų134128.8 Ų128.882%0.82279%0.787SS**  trans-165.7141.6132.4-75.70000109.2
619T44Very low45.3Very low124 Ų124129.3 Ų129.376%0.76179%0.79SS**  trans-114.6138.1-175.5-44.80000110.1
620T46.9Very low44.9Very low138 Ų138126.7 Ų126.785%0.84778%0.782SS**  trans-144.2138.3162-13.60000112.4
621T40.9Very low45.5Very low121 Ų121127.1 Ų127.174%0.74279%0.787SS**  trans-101.8140.4-174.9-50.80000111
622T48.1Very low45.9Very low132 Ų132126.2 Ų126.281%0.8178%0.781SS**  trans-162123.3145.418.80000113.5
623T44.6Very low45.5Very low113 Ų113126.1 Ų126.169%0.69378%0.778SS**  trans29.9127.5135.2-30.20000121.3
624P41.2Very low45.7Very low125 Ų125127.4 Ų127.481%0.81278%0.777SS**  trans-79.5150.4167.834.4-34.6000112.6
625I50.9Low45.7Very low146 Ų146126.1 Ų126.175%0.74977%0.769SS**  trans-118.8124.1172.5-63.1176.9000109.1
626S41.4Very low45.7Very low113 Ų113126.7 Ų126.779%0.7977%0.772SS**  trans-78.3134168.8-179.90000110
627N45.3Very low45.4Very low142 Ų142126.3 Ų126.376%0.75977%0.765SS**  trans-143.2124.1166.7-90.2-43.9000110.9
628N41.9Very low45.4Very low152 Ų152126.3 Ų126.381%0.81377%0.765SS**  trans-88.1129.6177.5175.224.2000109.7
629T43.6Very low45.1Very low126 Ų126123.8 Ų123.877%0.77376%0.757SS**  trans-144.5134.4172.9-21.80000112.8
630T43.3Very low44.9Very low109 Ų109123.4 Ų123.467%0.66976%0.755SS**PPolyproline II helixtrans-77.5141.7-173.5-41.60000113.1V632T630-V632 PolarHBondContact O-N 2.88Å
631P58.7Low44.5Very low121 Ų121122.5 Ų122.579%0.78675%0.75SS**PPolyproline II helixtrans-72116.3162.629.9-32.5000110.3
632V51.4Low44.5Very low121 Ų121122.8 Ų122.873%0.73375%0.751SS**PPolyproline II helixtrans-85.9121.3176.8173.10000110.6T630 T634T630-V632 PolarHBondContact O-N 2.88Å; V632-T634 PolarHBondContact O-N 3.25Å
633T40.7Very low44Very low129 Ų129121 Ų12179%0.79174%0.744SS**  trans-69.1113.8169.9-51.80000110.1
634T51.8Low43.9Very low114 Ų114122.7 Ų122.770%0.69976%0.755SS**  trans-104.9103.2175.1-53.70000110.2V632V632-T634 PolarHBondContact O-N 3.25Å
635T42.2Very low43.8Very low111 Ų111121.8 Ų121.868%0.68175%0.747SS**  trans-77.8125.3173.7-490000110
636V46.5Very low43.2Very low136 Ų136120.3 Ų120.382%0.82475%0.747SS**  trans-110.9104169.6-179.50000109.3
637T40.1Very low43.2Very low117 Ų117121.3 Ų121.372%0.71875%0.748SS**  trans-108.7123.5173.1-600000109.2
638T43.1Very low43Very low128 Ų128120.1 Ų120.179%0.78575%0.747SS**  trans179.2116.1157.7-83.60000106
639A41Very low42.9Very low81 Ų81119.9 Ų119.967%0.66974%0.744SS**  66.1134.470.300000112.2
640T40.3Very low42.5Very low117 Ų117119.2 Ų119.272%0.71874%0.739SS**  cis-160.8148.6-6.1-70.40000107.8
641T37.8Very low42.3Very low119 Ų119121.5 Ų121.573%0.7375%0.746SS**  trans37140.1163.9590000120.4
642T41.8Very low41.4Very low126 Ų126119.9 Ų119.977%0.77374%0.738SS**  -171.2151.267.6-55.70000112.1
643S37.5Very low40.7Very low95 Ų95121 Ų12166%0.66474%0.74SS**  trans-11.6131.8166.8-167.60000119.9
644T41.6Very low40.6Very low148 Ų148121.8 Ų121.891%0.90874%0.739SS**  -154.6149.8128-0.90000110.8
645T38.5Very low40.1Very low106 Ų106119.9 Ų119.965%0.6574%0.735SS**  trans-100.9148-165.8-50.80000110.5
646P39.6Very low40Very low116 Ų116119.4 Ų119.475%0.75374%0.736SS**  trans-76149.3-160.329.3-37.5000115.3
647T40.8Very low39.8Very low133 Ų133118.5 Ų118.582%0.81673%0.731SS**  trans-92.3101.5178.6-44.30000111.5
648T40Very low39.8Very low118 Ų118116.3 Ų116.372%0.72472%0.72SS**  trans-77.8127.4163.8-56.90000109.3T650T648-T650 PolarHBondContact O-N 3.07Å
649I41.3Very low39.5Very low147 Ų147120.6 Ų120.675%0.75472%0.724SS**  trans-93.296.9168.3-59.6179.2000108.2I651I649-I651 HydrophobicContact CG2-CG1 4.33Å
650T35.3Very low39.4Very low111 Ų111123.2 Ų123.268%0.68173%0.732SS**  trans-95.2124.8164.9-52.40000107.8T648T648-T650 PolarHBondContact O-N 3.07Å
651I38.5Very low39.1Very low157 Ų157121.4 Ų121.481%0.80573%0.728SS**  trans-96.8109.7166.8-60.4-179.4000107.2I649I649-I651 HydrophobicContact CG2-CG1 4.33Å
652S39.1Very low39.1Very low88 Ų88123.3 Ų123.362%0.61573%0.732SS**  trans-78.4150.5169-57.50000110.4
653D37.6Very low38.9Very low145 Ų145122.5 Ų122.578%0.77573%0.732SS**  -152.6126.2110-94.2-37.5000107.5
654N39.3Very low39Very low145 Ų145122.8 Ų122.878%0.77573%0.734SS**  75.9123.767.2-158.527000109.9
655A41.1Very low39Very low74 Ų74122 Ų12261%0.61273%0.729SS**  cis-149.1165.323.200000114.2
656S40.4Very low38.8Very low100 Ų100123.3 Ų123.370%0.69974%0.737SS**  53.9140126.4-136.40000120.6
657T41Very low38.9Very low118 Ų118123 Ų12372%0.72474%0.735SS**  cis-178.9160.4-0.716.80000107
658S40.8Very low38.9Very low71 Ų71122.9 Ų122.950%0.49773%0.734SS.*  cis175.6148.1-23.652.10000110.3
659Y36.7Very low38.6Very low218 Ų218123.7 Ų123.786%0.85574%0.739SS**  trans67160.5173.1-41.6-71.3000115
660T38.1Very low38.7Very low136 Ų136123.8 Ų123.883%0.83474%0.739SS**  cis-143.9169.89.6-40.70000110.7
661A35.4Very low38.8Very low79 Ų79124.5 Ų124.565%0.65374%0.744SS**  trans-66.4178.1162.200000111.1
662I37.9Very low39Very low158 Ų158122.4 Ų122.481%0.8174%0.74SS**  cis-163.5153.337.3-11.5174000112.3
663S37.2Very low39.3Very low109 Ų109123.5 Ų123.576%0.76275%0.746SS**  trans65.2127.4141.6-148.50000123
664S38.8Very low39.3Very low101 Ų101123.3 Ų123.371%0.70675%0.75SS**  trans82.9154.6140.5-150.90000121.7
665T40.6Very low39.4Very low132 Ų132122.1 Ų122.181%0.8175%0.753SS**  trans74.1133.6169.648.60000121.6
666T36.2Very low39.2Very low134 Ų134123.7 Ų123.782%0.82276%0.759SS**  trans-68.9179.2-178.4-9.30000113.9
667P41.4Very low39.2Very low110 Ų110125.8 Ų125.871%0.71476%0.761SS**  -125.1168.2-10242.3-27.4000114.8
668T39.9Very low38.9Very low129 Ų129125.3 Ų125.379%0.79176%0.758SS**  trans-149.3141.3160.5-470000111.1I670T668-I670 HydrophobicContact CG2-CG1 4.23Å
669V34.8Very low38.7Very low136 Ų136131.8 Ų131.882%0.82477%0.773SS**  trans-99.9124.6174173.80000109
670I41.8Very low38.6Very low148 Ų148127 Ų12776%0.75977%0.767SS**  trans-140.8116.8169-58.1-178.1000109.2T668T668-I670 HydrophobicContact CG2-CG1 4.23Å
671T38Very low38.4Very low126 Ų126126.4 Ų126.477%0.77376%0.763SS**  trans-76.4143.1164.5-4.60000109.4
672P44Very low38.6Very low113 Ų113129.1 Ų129.173%0.73477%0.772SS**  -157.8-163.396.943.2-24.3000112.8
673P45.4Very low38.4Very low112 Ų112126.9 Ų126.973%0.72777%0.766SS**  cis-115.2154.7-26.233-19.6000112.5
674T36.3Very low38.6Very low141 Ų141127.7 Ų127.787%0.86577%0.768SS**  trans-79.4150.9160.631.40000111.1
675S42.1Very low38.6Very low119 Ų119128 Ų12883%0.83277%0.771SS**  trans-142.6104.7162.7-73.10000108.1
676S35.9Very low38.2Very low107 Ų107128.6 Ų128.675%0.74877%0.774SS**  trans-87.6129.8-171.750.40000112
677I40.5Very low38.3Very low144 Ų144127.4 Ų127.474%0.73877%0.771SS**  trans-116.8114.3157.5-61.9-179.3000107.1Y679I677-Y679 HydrophobicContact CG2-CE2 4.05Å
678T34.7Very low37.8Very low109 Ų109128.2 Ų128.267%0.66977%0.774SS**  trans-79.9124.4-173.8-55.20000111.1
679Y37.6Very low37.7Very low206 Ų206129.3 Ų129.381%0.80877%0.774SS**  trans-11499.6160.4-75.3-78.2000109.1I677 T681I677-Y679 HydrophobicContact CG2-CE2 4.05Å; Y679-T681 PolarHBondContact O-N 2.75Å
680T34.7Very low37.6Very low119 Ų119125.5 Ų125.573%0.7375%0.751SS**  trans-76109.8177.6-13.40000109.3
681T34.2Very low37.1Very low123 Ų123121.4 Ų121.476%0.75573%0.733SS**  trans-137.992.3167.3-54.40000108.1Y679 T683Y679-T681 PolarHBondContact O-N 2.75Å; T681-T683 PolarHBondContact O-N 3.29Å
682T38.2Very low36.8Very low135 Ų135119 Ų11983%0.82873%0.726SS**  trans-71.4110.4-175.526.30000111.1
683T33.7Very low36.3Very low112 Ų112120.7 Ų120.769%0.68773%0.729SS**  trans-112118.1162.8-530000107.5T681 S685T681-T683 PolarHBondContact O-N 3.29Å; T683-S685 PolarHBondContact O-N 3.46Å
684P42.8Very low35.6Very low125 Ų125121.4 Ų121.481%0.81273%0.731SS**  trans-69.3131.4179.228-33000110
685S37.4Very low35.3Very low108 Ų108119 Ų11976%0.75572%0.72SS**  trans-140.3119.9171.8-69.80000108.5T683T683-S685 PolarHBondContact O-N 3.46Å
686T33.2Very low35Very low144 Ų144119.2 Ų119.288%0.88372%0.717SS**  trans-74.9143.3175.641.30000110.6
687S37.2Very low34.8Very low109 Ų109121 Ų12176%0.76272%0.717SS**  trans-159122.4169.3-77.90000110.9
688T32.2Very low34.4Very low127 Ų127118.4 Ų118.478%0.77972%0.718SS**  trans-88130.4172.6-46.80000109.6
689I36.6Very low34.1Very low153 Ų153118.7 Ų118.779%0.78572%0.72SS**  trans-141.7141.3175-72.7-169.1000107.1E59E59-I689 VanDerWaalsContact OE2-C 3.27Å
690T32.7Very low33.7Very low55 Ų55114.7 Ų114.734%0.33772%0.717SS.*  cis153.845.425.8-8.20000117.7T57 E59T57-T690 HydrophobicContact CG2-CG2 3.83Å; E59-T690 HydrophobicContact CB-CG2 3.78Å; E59-T690 VanDerWaalsContact CB-OG1 3.26Å; E59-T690 WeakPolarHBondContact CB-OG1 3.43Å; E59-T690 HydrophobicContact CG-CG2 3.84Å; E59-T690 WeakPolarHBondContact OE1-CA 3.25Å; E59-T690 PolarHBondContact OE1-N 3.26Å; E59-T690 PolarHBondContact OE2-N 2.72Å; E59-T690 PolarHBondContact OE2-OG1 3.13Å
691T31.7Very low33.5Very low62 Ų62115.8 Ų115.838%0.3872%0.717SS.*  trans74.8114.6168.7190000122.5T57 T58 E59T57-T691 WeakPolarHBondContact CG2-OG1 3.34Å; T58-T691 WeakPolarHBondContact O-CG2 3.34Å; E59-T691 PolarHBondContact OE1-N 3.24Å
692A32.2Very low33.5Very low75 Ų75116.3 Ų116.362%0.6271%0.713SS**  55.3149.911000000126.2
693N31.9Very low33.2Very low150 Ų150115.4 Ų115.480%0.80271%0.71SS**  trans75.7148.2149.7-66.2-22.1000118.7
694T31.9Very low33.1Very low126 Ų126115.3 Ų115.377%0.77371%0.71SS**  cis-153.7150.921.5-25.60000114.2
695S29.4Very low32.5Very low90 Ų90115 Ų11563%0.62971%0.706SS**  trans56.9117.6141.71700000121.5
696T35.5Very low32.1Very low125 Ų125114.3 Ų114.377%0.76771%0.706SS**  -160.2132.6100.94.80000115
697N32.5Very low31.9Very low143 Ų143111.1 Ų111.177%0.76570%0.695SS**  trans34.1133.9142.9-63.6-6000123.9
698A31.5Very low31.6Very low91 Ų91111.8 Ų111.875%0.75269%0.694SS**  77.7157.4129.500000120.6
699T29.1Very low31.4Very low115 Ų115110.5 Ų110.571%0.70669%0.69SS**  cis-166.5112.9-25.4-88.40000109.6
700T28Very low31.2Very low122 Ų122108.9 Ų108.975%0.74869%0.688SS**  trans61.6174.1143.2-46.50000119.7
701I31.5Very low30.9Very low141 Ų141111.5 Ų111.572%0.72370%0.704SS**  trans59.6110.7168.925.3-177.8000116.3
702I33.3Very low31.1Very low134 Ų134114.9 Ų114.969%0.68773%0.725SS**  cis55.9107.949.2-44.1167.7000110.1
703P33.7Very low31.4Very low117 Ų117116.6 Ų116.676%0.7673%0.729SS**  -103.7156.288.2-19.237.1000113.8
704T30.5Very low31.5Very low110 Ų110116.7 Ų116.768%0.67573%0.728SS**  cis61.4134.547.1-110000111.3
705T30.3Very low31.5Very low119 Ų119114.7 Ų114.773%0.7372%0.724SS**  cis-164.2163.332.4-40.20000110.3
706A29.9Very low31.8Very low93 Ų93116.4 Ų116.477%0.76973%0.731SS**  trans70151.8151.600000118.2
707A28Very low31.9Very low77 Ų77115.7 Ų115.764%0.63673%0.727SS**  cis-169.8-178.6-21.100000107.8
708T31Very low32.1Very low122 Ų122116.3 Ų116.375%0.74873%0.729SS**  trans66.2116.1160.532.30000115
709S28.3Very low32.4Very low101 Ų101116.1 Ų116.171%0.70672%0.722SS**  77.5143.186.3-64.40000112.6
710T31.5Very low32.9Very low119 Ų119117.6 Ų117.673%0.7373%0.725SS**  cis-157.6149.59.9-30000111.4
711T28.2Very low33.3Very low110 Ų110118.6 Ų118.668%0.67573%0.726SS**  trans5.9130.4138.659.50000119.9
712T34.2Very low33.5Very low133 Ų133115.5 Ų115.582%0.81672%0.722SS**  38.4169.1121.917.60000121.4
713P38.8Very low33.7Very low110 Ų110114 Ų11471%0.71472%0.723SS**  cis-134.7-141.2-2.541-19.4000113.4
714I34.4Very low33.7Very low153 Ų153114.4 Ų114.479%0.78572%0.724SS**  trans105.988.9169.3-58.2163.9000111.5
715A31.4Very low33.7Very low83 Ų83113.6 Ų113.669%0.68672%0.722SS**  81.4141.57300000112.5
716T36.4Very low33.6Very low127 Ų127113.3 Ų113.378%0.77972%0.72SS**  cis-154.8167.513.8-10.80000107.6
717T36.5Very low33.5Very low109 Ų109115.2 Ų115.267%0.66972%0.723SS**  cis-167145.6322.60000111.5
718I37.5Very low33.5Very low157 Ų157115.2 Ų115.281%0.80572%0.723SS**  trans65.6137143.9-64.8164.3000119.2
719S38.4Very low33.3Very low87 Ų87115.5 Ų115.561%0.60872%0.724SS**  cis-168.4165.1-27.5-151.60000111.5
720D39.7Very low33.2Very low146 Ų146116.1 Ų116.178%0.78173%0.729SS**  trans79137.8152.2-60.3-8.8000120.9
721N35.3Very low33.1Very low142 Ų142114.8 Ų114.876%0.75973%0.73SS**  cis-165.9137.8-20.8-170.521.9000112.2
722A36.8Very low33Very low77 Ų77115.5 Ų115.564%0.63674%0.735SS**  trans51.7149.8150.600000122.7
723S37.3Very low32.8Very low102 Ų102114.9 Ų114.971%0.71373%0.73SS**  cis-168.3138.5-18.8-99.30000111.7
724T33.3Very low32.3Very low126 Ų126115.5 Ų115.577%0.77373%0.733SS**  trans14143.5139.266.30000119.4
725S29.8Very low32.1Very low92 Ų92114.4 Ų114.464%0.64373%0.733SS**  161.7151.876.6-170.80000113.8
726T29.3Very low32Very low113 Ų113115.1 Ų115.169%0.69373%0.729SS**  trans57116.3144470000124.2
727T27.2Very low31.6Very low133 Ų133115 Ų11582%0.81673%0.728SS**  78.1149.9113-50.50000121.9
728A27.9Very low31.3Very low78 Ų78114.9 Ų114.965%0.64573%0.727SS**  trans86.1112.3157.600000121.5
729T26.9Very low31.1Very low127 Ų127113.2 Ų113.278%0.77973%0.726SS**  65.5106.2117.2-48.10000121.6
730S25.8Very low30.7Very low114 Ų114114.4 Ų114.480%0.79773%0.73SS**  trans32.592.6130.5-48.80000121.3
731A29.3Very low30.3Very low92 Ų92111.9 Ų111.976%0.7672%0.724SS**  trans-153.4129.4137.400000106.7
732T27.6Very low30Very low125 Ų125110.1 Ų110.177%0.76772%0.723SS**  cis71.3136.535.6-42.80000112.8
733T29.5Very low29.7Very low119 Ų119113.6 Ų113.673%0.7373%0.729SS**  trans82.496.9-167.2-33.50000110.7
734T28.5Very low29.4Very low124 Ų124113.5 Ų113.576%0.76173%0.725SS**  72.3153.450.4-450000112.3
735V29.6Very low29.4Very low130 Ų130113.1 Ų113.179%0.78872%0.722SS**  trans104.7128.4176.7-179.50000113.9
736T29.4Very low29.5Very low98 Ų98113.9 Ų113.960%0.60172%0.723SS**  cis170.5135.9-36.4-94.90000107.4
737T29.2Very low29.5Very low124 Ų124114 Ų11476%0.76172%0.724SS**  trans61.6166171.155.10000115.7
738T28.4Very low29.8Very low106 Ų106113.6 Ų113.665%0.6572%0.721SS**  cis-142.9137.113-430000111.6
739P33.9Very low30Very low122 Ų122113.8 Ų113.879%0.79272%0.723SS**  trans-75.5131.4169.431.7-33.3000111
740T30.8Very low30.5Very low113 Ų113113.6 Ų113.669%0.69372%0.724SS**  trans-142.1118.2-178.8-49.90000112.2
741S30.4Very low30.6Very low93 Ų93113.4 Ų113.465%0.6572%0.723SS**  trans59.4132.3165.3-53.70000117.9
742S28.8Very low30.7Very low104 Ų104115.3 Ų115.373%0.72773%0.725SS**  cis71161.830.198.30000114.8
743I30.7Very low30.6Very low150 Ų150113.8 Ų113.877%0.76972%0.719SS**  trans90.3131.9-177.9-61.2170.3000115.4
744T31.2Very low30.5Very low101 Ų101113.4 Ų113.462%0.6272%0.717SS**  cis-167170.9-22.9-72.90000107.4
745T32.4Very low30.4Very low117 Ų117114.2 Ų114.272%0.71872%0.717SS**  trans71.5138.815227.20000118
746T32.2Very low30.4Very low108 Ų108114.2 Ų114.266%0.66371%0.712SS**  cis-157.3138.2-6.4-40000106.5
747T29.2Very low30.4Very low116 Ų116115.3 Ų115.371%0.71272%0.719SS**  46.1130.582.6-8.20000112.5
748T33.4Very low30.4Very low125 Ų125113.6 Ų113.677%0.76772%0.718SS**  cis-161.4158.642.4-420000111.1
749A33.3Very low30.4Very low82 Ų82115.2 Ų115.268%0.67872%0.722SS**  trans-69.3171.9161.500000111.1
750P36.6Very low30.2Very low123 Ų123114.9 Ų114.980%0.79972%0.718SS**  -145.5167.482.939.8-24.3000115.7
751S29.3Very low30Very low110 Ų110113.8 Ų113.877%0.76972%0.715SS**  trans-77.6130.8163.6530000112.8
752T30.5Very low29.9Very low131 Ų131114.3 Ų114.380%0.80471%0.714SS**  trans-163.4132.9137.730.60000107.9
753S26.2Very low29.8Very low94 Ų94116.6 Ų116.666%0.65772%0.719SS**  71.4105.764.4152.20000114.5
754T27Very low29.8Very low111 Ų111113.7 Ų113.768%0.68172%0.717SS**  trans91.6115.6131-52.20000119.8
755N26.4Very low29.7Very low141 Ų141114.9 Ų114.975%0.75472%0.724SS**  trans78.5142146.3-78.8-1.6000123.5
756N29.1Very low29.7Very low130 Ų130113.4 Ų113.470%0.69572%0.724SS**  trans83.996.1139.3-73.86.6000121
757T28.6Very low29.8Very low121 Ų121115.4 Ų115.474%0.74273%0.729SS**  81.2148.8107.5-58.40000118
758A29.3Very low30.1Very low88 Ų88115.6 Ų115.673%0.72773%0.73SS**  trans73.3136.6166.500000115.6
759N29.8Very low30.1Very low139 Ų139114.3 Ų114.374%0.74373%0.726SS**  cis-161.1176.2-13.8-150.84.5000110.3
760T28.4Very low30.1Very low115 Ų115116.1 Ų116.171%0.70673%0.729SS**  trans26141145.950.70000120.5
761S26.5Very low30.2Very low90 Ų90115.7 Ų115.763%0.62972%0.724SS**  cis165.31809166.40000107.7
762T29.5Very low30.5Very low105 Ų105114.6 Ų114.664%0.64472%0.722SS**  trans70.5100.114525.20000119.5
763N27.1Very low31Very low152 Ų152114.2 Ų114.281%0.81372%0.72SS**  70.3157.1114.7-67.79000122.1
764A29.6Very low31.6Very low89 Ų89115.7 Ų115.774%0.73673%0.725SS**  trans87.6141.7146.900000118.6
765T30.1Very low32.1Very low125 Ų125116.3 Ų116.377%0.76773%0.729SS**  cis-166.5134.1-15-99.10000110.9
766A31.8Very low32.8Very low87 Ų87116.3 Ų116.372%0.71973%0.734SS**  trans57.7-175.8158.200000115.6
767I34.6Very low33.6Very low149 Ų149115 Ų11576%0.76473%0.733SS**  cis-139.6115.723.1-75.2179.9000108.7
768T36Very low34.2Very low121 Ų121115.1 Ų115.174%0.74273%0.733SS**  79.8138.297.4-44.50000112.1
769S31.8Very low34.7Very low98 Ų98117.1 Ų117.169%0.68574%0.737SS**  cis-135.9-9933.2-162.90000117.9
770T34.3Very low34.9Very low119 Ų119114.3 Ų114.373%0.7373%0.732SS**  trans-156.1-177.1-149.249.90000108.8
771T38.7Very low35.4Very low115 Ų115114.7 Ų114.771%0.70674%0.735SS**  cis-154.5121.527.5-54.30000107.5
772A34.9Very low35.8Very low87 Ų87115.6 Ų115.672%0.71974%0.737SS**  51.4146.395.800000115
773T41.1Very low36.1Very low123 Ų123115.8 Ų115.876%0.75574%0.738SS**  cis-153.9165.422.5-28.30000106.9
774T39.7Very low36.3Very low125 Ų125115.6 Ų115.677%0.76774%0.735SS**  cis-161.7176.334.4-43.20000110.8
775T37.9Very low36.4Very low124 Ų124115.5 Ų115.576%0.76173%0.73SS**  trans-142.616817755.20000112.2
776T40.8Very low36.3Very low140 Ų140116.4 Ų116.486%0.85973%0.73SS**  trans-155.2143.1158.5-750000109.8
777P44.2Very low36.2Very low104 Ų104119.5 Ų119.568%0.67573%0.734SS**  trans-140.7-143.9-145.744.5-24000115.7
778T41.6Very low36Very low123 Ų123115.7 Ų115.776%0.75573%0.725SS**  trans83.9139.1163.710.90000117.2
779T39.9Very low35.7Very low130 Ų130115 Ų11580%0.79873%0.725SS**  cis-145.8164.511.8-430000113.1
780A35Very low35.7Very low79 Ų79116.7 Ų116.765%0.65373%0.731SS**  trans-76.2176.6-177.400000114.6
781T38.9Very low35.4Very low123 Ų123115.7 Ų115.776%0.75573%0.729SS**  -164.5126.966.4-52.10000113.8
782T34.2Very low35Very low109 Ų109115.9 Ų115.967%0.66973%0.73SS**  9.8151.8128.91.20000119.3
783T35.8Very low34.8Very low109 Ų109117.9 Ų117.967%0.66973%0.734SS**  cis-168.6145.447.410.50000114.1
784I32.1Very low34.3Very low148 Ų148116.1 Ų116.176%0.75973%0.732SS**  44.8139.9125-61.9174.6000120
785S30.2Very low34.1Very low88 Ų88115.4 Ų115.462%0.61573%0.732SS**  cis-173.9178.4-15.2-86.80000110.2
786D30Very low34.3Very low144 Ų144114.6 Ų114.677%0.7773%0.729SS**  trans71.4101.1146.3-62.2-36.3000122.9
787N28.9Very low34.1Very low152 Ų152114.1 Ų114.181%0.81373%0.726SS**  70142.3105.8-155.518.4000122.5
788A30.4Very low33.7Very low69 Ų69116.6 Ų116.657%0.5773%0.733SS**  trans63105.3152.700000121.9
789S30.3Very low33.4Very low106 Ų106115 Ų11574%0.74173%0.733SS**  83.2136.9121.5-61.40000122.9
790T30.2Very low33.2Very low133 Ų133114.7 Ų114.782%0.81673%0.731SS**  trans71.911314344.70000122.2
791S29Very low33.3Very low98 Ų98116.6 Ų116.669%0.68573%0.734SS**  87.4112.6124.2-148.80000120.8
792T30.2Very low33.2Very low120 Ų120115.8 Ų115.874%0.73673%0.729SS**  trans51.4121.7133.861.60000118.8
793T29.5Very low33.3Very low128 Ų128117 Ų11779%0.78573%0.732SS**  173.9143.980.2-65.70000110.7
794A31.7Very low33.4Very low87 Ų87117.9 Ų117.972%0.71974%0.737SS**  trans47.2125.9158.600000122.4
795S34.5Very low33.7Very low109 Ų109116.2 Ų116.276%0.76273%0.734SS**  22147104.3-120.90000118.4
796P43Very low34.1Very low108 Ų108117.8 Ų117.870%0.70174%0.74SS**  cis-155-177.538.536.1-11.6000119.7
797T37Very low34.3Very low129 Ų129116.3 Ų116.379%0.79174%0.736SS**  trans103.9134.6142.5-22.20000119.7
798N35.6Very low34.7Very low157 Ų157115.1 Ų115.184%0.8474%0.735SS**  trans-83.3154.1171.2-57.2-37.2000112.9
799A36.2Very low34.9Very low90 Ų90117.8 Ų117.874%0.74474%0.744SS**  trans-148132.8130.700000108.8
800T34.6Very low35.4Very low123 Ų123117.5 Ų117.576%0.75574%0.739SS**  57.7133.967.40.90000113.3
801T36.7Very low35.5Very low118 Ų118116.9 Ų116.972%0.72474%0.736SS**  cis-163.6171.319-33.20000113
802T38.3Very low35.9Very low106 Ų106117.2 Ų117.265%0.6573%0.734SS**  trans99.797.6143-520000121.4
803N35.8Very low36.1Very low135 Ų135118.2 Ų118.272%0.72274%0.735SS**  46.5142.1121.1-49.5-12.3000121.6
804T37.9Very low36.1Very low127 Ų127118.6 Ų118.678%0.77973%0.732SS**  -158.812283.2-69.50000115.2
805V38.6Very low36.1Very low113 Ų113120.3 Ų120.369%0.68573%0.734SS**  trans26.5128.9134.2-1560000117.5
806T37.6Very low35.9Very low122 Ų122119.1 Ų119.175%0.74873%0.73SS**  -166.3144.174.9-53.20000115.3
807T34.4Very low35.3Very low113 Ų113121.2 Ų121.269%0.69374%0.735SS**  trans-38.9169.3162.927.10000118
808T37.2Very low35Very low127 Ų127120.8 Ų120.878%0.77973%0.733SS**  cis-160.4154.430-18.30000113.9
809T35.6Very low34.7Very low124 Ų124118.1 Ų118.176%0.76173%0.727SS**  trans-71.6174.3156.860000111.3
810P40Very low34.5Very low100 Ų100119.7 Ų119.765%0.64973%0.727SS**  cis-158173.74642-18.4000120.8
811T32.9Very low34.4Very low121 Ų121121.9 Ų121.974%0.74273%0.734SS**  trans61.9164.4145.348.70000120.3
812T36.3Very low34Very low104 Ų104120.5 Ų120.564%0.63874%0.735SS**  cis-159.3158.74.5-3.80000111.1
813N34.5Very low33.9Very low142 Ų142121.9 Ų121.976%0.75974%0.744SS**  trans58.2157.1141.8-69.7-12.6000122.7
814N30.8Very low33.6Very low135 Ų135121.2 Ų121.272%0.72275%0.745SS**  cis-168.7164.7-34.5-155.5-0.5000109.9
815T31.6Very low33.4Very low124 Ų124123 Ų12376%0.76175%0.747SS**  trans72.5141.4154.7-47.40000118.9
816A29Very low33Very low84 Ų84122.9 Ų122.969%0.69475%0.747SS**  trans-99165.9176.800000112.7
817N31.7Very low32.7Very low151 Ų151122.9 Ų122.981%0.80775%0.752SS**  -162.9167.6115.7-127.6-21.1000116.1
818T29.3Very low32.6Very low120 Ų120122.9 Ų122.974%0.73675%0.752SS**  trans-36.1154.3170.641.50000119.4
819S30.2Very low32.5Very low102 Ų102121.5 Ų121.571%0.71375%0.754SS**  155.6111.9122.8179.90000113.5
820T30.7Very low32.5Very low122 Ų122121.8 Ų121.875%0.74876%0.755SS**  trans3.8133.7140.923.70000120.2
821N33.4Very low32.2Very low169 Ų169123.2 Ų123.290%0.90476%0.763SS**  -152.2156.3116.6-111.7-24.3000111.6
822A29.5Very low32.2Very low90 Ų90123.5 Ų123.574%0.74476%0.764SS**  trans-128.9144.3179.400000110.5
823T34.3Very low31.9Very low135 Ų135125.5 Ų125.583%0.82877%0.77SS**  trans-137.9121173.1-50.40000109.9
824T29.3Very low31.9Very low121 Ų121124.9 Ų124.974%0.74277%0.772SS**  trans-94.7134174.3-55.40000109.9
825I34.9Very low32.2Very low163 Ų163124.7 Ų124.784%0.83677%0.77SS**  trans-131.6127.6156.5-59.3-177.2000108.1
826T30.1Very low32.4Very low112 Ų112124.6 Ų124.669%0.68777%0.769SS**  trans-104141.8-179.3-49.10000109.6
827S31.3Very low33.2Very low122 Ų122126 Ų12685%0.85377%0.771SS**  trans-147.6151.9154.3-166.90000110.1
828T32.2Very low33.3Very low113 Ų113125 Ų12569%0.69377%0.77SS**  trans-127.8128.4-167.8-52.40000110.3
829A35.9Very low33.7Very low98 Ų98125.9 Ų125.981%0.8178%0.776SS**  trans-136.1121.1167.800000108.8
830T34Very low33.9Very low129 Ų129126.3 Ų126.379%0.79177%0.774SS**  trans-103.9118.7-173.7-50.80000109.9
831T33.9Very low34.1Very low131 Ų131126.9 Ų126.980%0.80478%0.778SS**  trans-130.5126.3172.5-45.90000110.1L833T831-L833 PolarHBondContact O-N 3.47Å
832T34.2Very low34.2Very low127 Ų127125.5 Ų125.578%0.77977%0.769SS**  trans-70.8123.2-173.5-53.70000112.2
833L30.2Very low34.5Very low145 Ų145127.3 Ų127.376%0.75977%0.771SS**  trans-85.9119.8171.1-91.2156.7000111T831 I835T831-L833 PolarHBondContact O-N 3.47Å; L833-I835 HydrophobicContact CB-CD1 4.43Å; L833-I835 HydrophobicContact CB-CG1 4.04Å; L833-I835 HydrophobicContact CD2-CG1 4.35Å
834T34.1Very low34.8Very low130 Ų130127.5 Ų127.580%0.79877%0.766SS**  trans-97.6104.1161.2-55.20000108.2
835I36.2Very low35.2Very low131 Ų131127.2 Ų127.267%0.67277%0.766SS**  trans-96.4115.9-173.9-51.4178.2000110L833L833-I835 HydrophobicContact CB-CD1 4.43Å; L833-I835 HydrophobicContact CB-CG1 4.04Å; L833-I835 HydrophobicContact CD2-CG1 4.35Å
836T36.9Very low35.6Very low121 Ų121127.5 Ų127.574%0.74277%0.769SS**  trans-97.6123.7159.7-56.60000107.5T838T836-T838 PolarHBondContact O-N 3.31Å
837P44.3Very low35.8Very low115 Ų115129.8 Ų129.875%0.74778%0.777SS**  trans-78.2110-169.929.2-34.5000112.8
838T35.5Very low36.3Very low129 Ų129128.3 Ų128.379%0.79177%0.772SS**  trans-92.1119.2158.5-6.80000108.8T836 T840T836-T838 PolarHBondContact O-N 3.31Å; T838-T840 PolarHBondContact O-N 2.89Å
839T37.1Very low36.6Very low139 Ų139127.6 Ų127.685%0.85377%0.772SS**  trans-77.9114.3172.744.40000110.5
840T33.9Very low36.8Very low111 Ų111128.9 Ų128.968%0.68177%0.77SS**  trans-128112.6170.3-53.90000108.6T838T838-T840 PolarHBondContact O-N 2.89Å
841T35.8Very low37Very low134 Ų134127.7 Ų127.782%0.82277%0.766SS**  trans-78.9121.9177.9-52.30000109.5
842I34.2Very low37.3Very low140 Ų140127 Ų12772%0.71876%0.762SS**  trans-109.3125.5172.2-62.6176000107.9
843T36.1Very low37.6Very low127 Ų127126.8 Ų126.878%0.77976%0.761SS**PPolyproline II helixtrans-94.7126.5175.7-49.20000109.6
844I40Very low38.1Very low140 Ų140123.9 Ų123.972%0.71876%0.758SS**PPolyproline II helixtrans-102.7130174.3-58175.4000108.4
845P39.6Very low38.6Very low115 Ų115122.9 Ų122.975%0.74775%0.754SS**PPolyproline II helixtrans-94.5119.6175.333.9-29.6000112
846D42.5Very low38.5Very low168 Ų168122 Ų12290%0.89876%0.759SS**PPolyproline II helixtrans-91141.9164.8-86.5-42.5000110.9
847N34.1Very low38.8Very low161 Ų161124.1 Ų124.186%0.86176%0.764SS**  trans-145.5100.1-171.2-173.414.9000113.7
848A41.5Very low38.5Very low90 Ų90126.3 Ų126.374%0.74477%0.769SS**  trans-152.9128.716100000107.8
849S39.7Very low38.7Very low99 Ų99125 Ų12569%0.69277%0.772SS**  cis70.1120.648.6-158.10000111.4
850T39.7Very low38.6Very low125 Ų125124.9 Ų124.977%0.76777%0.771SS**  cis-164.7164.88-30000112.5
851S37.9Very low38.8Very low103 Ų103124.4 Ų124.472%0.7278%0.779SS**  trans68.6144.4150.6-1120000120.7
852T40.5Very low38.9Very low117 Ų117124 Ų12472%0.71878%0.776SS**  cis-163.9148.2-11.51.60000112.8
853T39.5Very low39Very low122 Ų122124.3 Ų124.375%0.74878%0.779SS**  trans59.991144.7-41.40000122.7
854A40.4Very low39.1Very low85 Ų85123.6 Ų123.670%0.70278%0.775SS**  43163.8102.600000122.8
855P44.5Very low38.8Very low109 Ų109122.6 Ų122.671%0.70878%0.775SS**  cis-145.3177.7-41.941-24.2000116.3
856S35.9Very low38.6Very low111 Ų111123.7 Ų123.778%0.77678%0.78SS**  trans71.8156.6163.779.50000116.9
857I42.2Very low38.1Very low166 Ų166121.3 Ų121.385%0.85177%0.772SS**  cis-140.9170.1317171.9000114.3
858N37.3Very low38.3Very low161 Ų161120.1 Ų120.186%0.86177%0.771SS**  trans-63.9148.5-176.4-71.9-20.3000116.5
859A40.1Very low38Very low103 Ų103121.8 Ų121.885%0.85177%0.771SS**  trans-158.9142.1134.300000112
860T35.4Very low38.1Very low136 Ų136123.2 Ų123.283%0.83478%0.779SS**  trans-93.6137.8-176.9-51.40000112.4
861A38.5Very low37.8Very low101 Ų101121.4 Ų121.484%0.83578%0.776SS**  trans-154.5152157.200000111
862T38Very low37.7Very low124 Ų124122.2 Ų122.276%0.76178%0.782SS**  trans-121.1151.2-166.2-37.30000112.7
863N35.8Very low37.4Very low147 Ų147122.4 Ų122.479%0.78678%0.783SS**  trans93.2147.1139.7-127.36.6000121.4
864T38.2Very low37.1Very low113 Ų113123.4 Ų123.469%0.69378%0.782SS**  trans83.790.2157.9-21.20000119.9
865T33.2Very low36.8Very low118 Ų118126.2 Ų126.272%0.72478%0.784SS**  18.9128.8121.1-320000119.8
866T36.6Very low36.2Very low138 Ų138127 Ų12785%0.84779%0.787SS**  -163.9141.4126.2-74.80000110.1
867T31.5Very low36.1Very low118 Ų118128.2 Ų128.272%0.72479%0.79SS**  trans-98.6136.2-175.6-36.80000112.1
868T38Very low35.6Very low137 Ų137123.6 Ų123.684%0.8478%0.777SS**  trans-149.5119.8160.526.70000112.3
869T36.4Very low35.5Very low124 Ų124124 Ų12476%0.76178%0.779SS**  trans-97153165.6-30.40000109.2
870P40.6Very low35.1Very low130 Ų130125.3 Ų125.384%0.84478%0.776SS**  -138.9172.7122.336.1-23.3000113.8
871A32.8Very low35Very low86 Ų86124.8 Ų124.871%0.71178%0.778SS**  trans-105.6163.8-163.800000115.7
872S35.6Very low34.7Very low120 Ų120125.9 Ų125.984%0.83978%0.775SS**  trans-160.2107.2153-75.40000106.8
873T34.4Very low34.5Very low121 Ų121128.1 Ų128.174%0.74278%0.782SS**  88.1146.554.6-53.20000112.4
874I34.2Very low34.4Very low144 Ų144126.5 Ų126.574%0.73878%0.778SS**  trans86.1103.7176.3-51.8-171.5000114.1
875I34.1Very low34.2Very low143 Ų143127.7 Ų127.773%0.73379%0.785SS**  79.5127.266.3-71.8166.1000111.8
876T32.3Very low34.2Very low126 Ų126127.3 Ų127.377%0.77378%0.782SS**  cis-157.8-173.8-427.10000107.8
877T32.6Very low34.1Very low137 Ų137128.1 Ų128.184%0.8478%0.78SS**  cis-151.8-168.517.4-161.40000112.5
878A31.2Very low34.3Very low69 Ų69127.8 Ų127.857%0.5778%0.778SS**  trans-104.1163.8-174.400000116.2
879N35.3Very low34Very low169 Ų169126.2 Ų126.290%0.90477%0.773SS**  -161.1151.8116.8-104-20.4000112.5
880T31.9Very low34Very low131 Ų131125.8 Ų125.880%0.80477%0.77SS**  trans-122.3149.4-164.3430000114.1
881S33Very low33.9Very low124 Ų124126.1 Ų126.187%0.86777%0.77SS**  trans-156124.3147-1680000109.1
882T33.6Very low34.2Very low125 Ų125128.1 Ų128.177%0.76777%0.773SS**  trans-116.9142.518041.70000110.3
883N33.1Very low34.7Very low171 Ų171127.4 Ų127.491%0.91477%0.766SS**  trans-145.3134.4153.5-144.3-12.6000109.8
884T34Very low35.5Very low113 Ų113126.8 Ų126.869%0.69376%0.764SS**  trans-116.1132.8-162.8-55.60000110.5
885T34.2Very low36.4Very low138 Ų138125.9 Ų125.985%0.84777%0.767SS**  trans-135.8120.7163.2-55.90000109.9
886T32.8Very low36.5Very low109 Ų109126.9 Ų126.967%0.66977%0.772SS**  trans-71.8136.6-172.8-47.50000112.7
887I34.8Very low36.7Very low156 Ų156126.7 Ų126.780%0.877%0.771SS**  trans-103.2109.4160.7-59.4176.8000107.4
888T35.2Very low36.8Very low110 Ų110125.2 Ų125.268%0.67577%0.766SS**  trans-9597.8177.5-49.30000109.9T890T888-T890 HydrophobicContact CG2-CG2 4.22Å; T888-T890 PolarHBondContact O-N 3.25Å
889S32.7Very low36.9Very low105 Ų105127.6 Ų127.673%0.73477%0.774SS**  trans-79.7101.9171.4-66.40000110.7
890T36Very low37.2Very low115 Ų115126.9 Ų126.971%0.70677%0.769SS**  trans-94.9101.1167.552.40000110.1T888 T892T888-T890 HydrophobicContact CG2-CG2 4.22Å; T888-T890 PolarHBondContact O-N 3.25Å; T890-T892 PolarHBondContact O-N 2.87Å
891T38.1Very low37.4Very low136 Ų136125.8 Ų125.883%0.83476%0.764SS**  trans-71.8108.4170.247.40000110.2
892T38.5Very low37.7Very low128 Ų128127.9 Ų127.979%0.78577%0.765SS**PPolyproline II helixtrans-83.2122.9172.5-48.80000109.6T890T890-T892 PolarHBondContact O-N 2.87Å
893P46.6Very low37.7Very low106 Ų106129.5 Ų129.569%0.68877%0.769SS**PPolyproline II helixtrans-69.5156.6175.929.5-34.7000111.7
894P51.8Low37.9Very low108 Ų108125.9 Ų125.970%0.70176%0.763SS**PPolyproline II helixtrans-67.2151.5179.129-35.6000112I896P894-I896 PolarHBondContact O-N 2.75Å
895P52Low38Very low125 Ų125125.5 Ų125.581%0.81277%0.765SS**PPolyproline II helixtrans-68.2117.2176.728.2-33.6000110.7V897P895-V897 PolarHBondContact O-N 3.1Å
896I37.2Very low38Very low163 Ų163126.2 Ų126.284%0.83676%0.762SS**PPolyproline II helixtrans-69.7128.1174.7-64.9172.9000109.2P894 S898P894-I896 PolarHBondContact O-N 2.75Å; I896-S898 PolarHBondContact O-N 2.85Å
897V36.5Very low38.1Very low122 Ų122125.5 Ų125.574%0.73976%0.761SS**  trans-73.4111.4172.9178.70000108.7P895 T899P895-V897 PolarHBondContact O-N 3.1Å; V897-T899 HydrophobicContact CG1-CG2 4.28Å; V897-T899 PolarHBondContact O-N 2.83Å
898S33.4Very low38.1Very low107 Ų107123.6 Ų123.675%0.74876%0.757SS**  trans-82.493.7175.1-169.10000110.4I896I896-S898 PolarHBondContact O-N 2.85Å
899T35.2Very low38Very low119 Ų119123.9 Ų123.973%0.7376%0.764SS**  trans-78116.6168.750.30000109.9V897 P901V897-T899 HydrophobicContact CG1-CG2 4.28Å; V897-T899 PolarHBondContact O-N 2.83Å; T899-P901 WeakPolarHBondContact O-CD 3.26Å
900I41.7Very low38.3Very low154 Ų154124.9 Ų124.979%0.7977%0.768SS**  trans-88.3115.2164.5-60174.8000107.4
901P35.4Very low38.1Very low108 Ų108125 Ų12570%0.70177%0.773SS**  trans-84.6135.6165.934-30.1000109.7T899T899-P901 WeakPolarHBondContact O-CD 3.26Å
902D39Very low37.9Very low168 Ų168124 Ų12490%0.89877%0.769SS**  trans-150.2137.6143.9-111.5-35.7000108.9
903N33.7Very low37.8Very low158 Ų158122.8 Ų122.885%0.84577%0.766SS**  trans-127.6107.5-163.4176.625.7000111.1
904A37.7Very low37.1Very low96 Ų96122.2 Ų122.279%0.79376%0.757SS**  trans-144.6121.916600000110.3
905S35.5Very low36.2Very low105 Ų105124.8 Ų124.873%0.73476%0.763SS**  trans-66.6170.8169.647.30000110.5
906I35.3Very low35.4Very low153 Ų153124 Ų12479%0.78576%0.756SS**  -158.7129.854.7-68162.1000112
907S33.6Very low35.1Very low93 Ų93122.7 Ų122.765%0.6576%0.756SS**  trans48112.7141.8-1390000124
908T35.1Very low34.9Very low117 Ų117121.9 Ų121.972%0.71875%0.751SS**  66.9121.5124.158.30000124.6
909S32.9Very low35.1Very low116 Ų116122.4 Ų122.481%0.81175%0.75SS**  trans90.2147130.2-67.60000121
910P38.8Very low35Very low125 Ų125122.1 Ų122.181%0.81275%0.748SS**  trans-130.5165.4-147.640.2-22.6000116.2
911S31.8Very low34.7Very low118 Ų118119.7 Ų119.783%0.82574%0.741SS**  trans-153.5145.2150.6-156.10000109.5
912P35.4Very low34.6Very low116 Ų116121 Ų12175%0.75374%0.742SS**  trans-91.6146.6-162.334.6-34.9000114.2
913S34.8Very low34.4Very low101 Ų101119.5 Ų119.571%0.70673%0.733SS**  trans-157.1131.9159.1-84.50000112.7
914N32.5Very low34.6Very low95 Ų95118 Ų11851%0.50872%0.724SS.*  trans-16.7120.9171.4-62.9-33.2000117.6T70T70-N914 PolarHBondContact OG1-ND2 3.48Å
915I33.8Very low34.3Very low162 Ų162118.9 Ų118.983%0.83172%0.719SS**  trans-147.1123.5147.8-104.2149.1000111.4
916T33.6Very low34.3Very low108 Ų108120.5 Ų120.566%0.66372%0.718SS**  trans22.1114.8150.7-440000120.1T918T916-T918 PolarHBondContact O-N 2.79Å
917T31.1Very low34.3Very low136 Ų136118.8 Ų118.883%0.83472%0.715SS**  trans-67.188.9156.7-50.70000110.5T919T917-T919 PolarHBondContact O-N 2.9Å
918T33.9Very low34.5Very low105 Ų105119.8 Ų119.864%0.64472%0.718SS**  trans-75.7111.5170.2-58.80000109.4T916 T920T916-T918 PolarHBondContact O-N 2.79Å; T918-T920 VanDerWaalsContact C-N 3.31Å; T918-T920 PolarHBondContact O-N 3.12Å
919T35.7Very low34.4Very low117 Ų117118.5 Ų118.572%0.71872%0.719SS**  trans-69.388.1171.5-53.80000109.7T917 T921T917-T919 PolarHBondContact O-N 2.9Å; T919-T921 VanDerWaalsContact C-N 3.29Å; T919-T921 PolarHBondContact O-N 2.87Å
920T33.9Very low34.6Very low113 Ų113118.4 Ų118.469%0.69371%0.713SS**  trans-69.987.4173.5-54.70000109.5T918 L922T918-T920 VanDerWaalsContact C-N 3.31Å; T918-T920 PolarHBondContact O-N 3.12Å; T920-L922 VanDerWaalsContact C-N 3.34Å; T920-L922 PolarHBondContact O-N 2.89Å
921T35.5Very low34.5Very low104 Ų104118.9 Ų118.964%0.63871%0.714SS**  trans-62.993.7172.5-56.40000109.3T919 N923T919-T921 VanDerWaalsContact C-N 3.29Å; T919-T921 PolarHBondContact O-N 2.87Å; T921-N923 VanDerWaalsContact C-N 3.29Å; T921-N923 PolarHBondContact O-N 3.45Å
922L33.9Very low34.8Very low136 Ų136118.7 Ų118.771%0.71271%0.708SS**  trans-73.386.2177.6-165.876.5000109.3T920 I924T920-L922 VanDerWaalsContact C-N 3.34Å; T920-L922 PolarHBondContact O-N 2.89Å; L922-I924 HydrophobicContact CD2-CD1 4.05Å; L922-I924 HydrophobicContact CD2-CG1 3.88Å; L922-I924 HydrophobicContact CG-CG1 4.05Å; L922-I924 PolarHBondContact O-N 3.27Å
923N35Very low35Very low135 Ų135119.4 Ų119.472%0.72271%0.711SS**  trans-64.885169.7-84.4-9.1000109.6T921 T925T921-N923 VanDerWaalsContact C-N 3.29Å; T921-N923 PolarHBondContact O-N 3.45Å; N923-T925 VanDerWaalsContact C-N 3.25Å; N923-T925 PolarHBondContact O-N 3.41Å
924I36Very low35.2Very low128 Ų128121.5 Ų121.566%0.65671%0.714SS**  trans-70.988.3167-55.8179.9000107.3L922 I926L922-I924 HydrophobicContact CD2-CD1 4.05Å; L922-I924 HydrophobicContact CD2-CG1 3.88Å; L922-I924 HydrophobicContact CG-CG1 4.05Å; L922-I924 PolarHBondContact O-N 3.27Å; I924-I926 HydrophobicContact CG2-CG1 4.05Å; I924-I926 PolarHBondContact O-N 3.44Å
925T33.2Very low35.6Very low113 Ų113124.4 Ų124.469%0.69373%0.729SS**  trans-6497.8166.6-58.40000108.3N923 T927N923-T925 VanDerWaalsContact C-N 3.25Å; N923-T925 PolarHBondContact O-N 3.41Å; T925-T927 PolarHBondContact O-N 3.49Å
926I35.5Very low35.7Very low139 Ų139124.4 Ų124.471%0.71373%0.731SS**  trans-73.184.4171.8-56.8179.4000107.8I924 T928I924-I926 HydrophobicContact CG2-CG1 4.05Å; I924-I926 PolarHBondContact O-N 3.44Å; I926-T928 PolarHBondContact O-N 2.63Å; I926-T928 PolarHBondContact O-OG1 3.33Å
927T34Very low35.8Very low118 Ų118125.5 Ų125.572%0.72473%0.732SS**  trans-6299173.8-58.50000108.9T925 A929T925-T927 PolarHBondContact O-N 3.49Å; T927-A929 PolarHBondContact O-N 2.95Å
928T37.4Very low36Very low114 Ų114125.6 Ų125.670%0.69973%0.732SS**  trans-75.694.6-176.4-56.10000109.2I926 T930I926-T928 PolarHBondContact O-N 2.63Å; I926-T928 PolarHBondContact O-OG1 3.33Å; T928-T930 PolarHBondContact O-N 3.38Å
929A34.4Very low36.3Very low89 Ų89127.2 Ų127.274%0.73674%0.735SS**  trans-70.189.7177.200000110.9T927 T931T927-A929 PolarHBondContact O-N 2.95Å; A929-T931 PolarHBondContact O-N 3.48Å
930T37.4Very low36.5Very low114 Ų114127.3 Ų127.370%0.69974%0.738SS**  trans-70.1105.7170.8470000110.3T928 T932T928-T930 PolarHBondContact O-N 3.38Å; T930-T932 PolarHBondContact O-N 3.4Å; T930-T932 VanDerWaalsContact O-N 3.14Å
931T36.5Very low36.7Very low135 Ų135125.8 Ų125.883%0.82874%0.737SS**  trans-75.894.3170.128.80000110.7A929 T933A929-T931 PolarHBondContact O-N 3.48Å; T931-T933 PolarHBondContact O-N 3.33Å
932T38.3Very low36.6Very low114 Ų114126.4 Ų126.470%0.69975%0.746SS**  trans-72.6112.7176.5-420000110.9T930 N934T930-T932 PolarHBondContact O-N 3.4Å; T930-T932 VanDerWaalsContact O-N 3.14Å; T932-N934 PolarHBondContact O-N 3.47Å
933T38.4Very low37.1Very low132 Ų132125.9 Ų125.981%0.8175%0.748SS**  trans-80.293.6176.570000111.5T931T931-T933 PolarHBondContact O-N 3.33Å
934N39.1Very low37.5Very low145 Ų145127.1 Ų127.178%0.77576%0.755SS**  trans-96.9114.9164.9-79.8-1.3000109.9T932T932-N934 PolarHBondContact O-N 3.47Å
935N40.8Very low37.5Very low155 Ų155124.4 Ų124.483%0.82976%0.759SS**  trans-71.6132172.7-70.8-22.1000110.6
936N36.6Very low37.6Very low162 Ų162126 Ų12687%0.86676%0.763SS**  trans-139149.8132.5-158.85.2000109.7
937I35.9Very low37.9Very low132 Ų132125 Ų12568%0.67776%0.763SS**  trans-103.2131-167.9-63.6166.9000110I939I937-I939 HydrophobicContact CG2-CG1 4.31Å
938T34.7Very low38Very low137 Ų137124.6 Ų124.684%0.8476%0.761SS**  trans-139.6110.3148.6-520000109.5
939I39.5Very low38.3Very low139 Ų139126 Ų12671%0.71377%0.769SS**  trans-102.8122.3166.9-60.7173.3000107.2I937 A941I937-I939 HydrophobicContact CG2-CG1 4.31Å; I939-A941 PolarHBondContact O-N 2.74Å
940P41Very low38.3Very low120 Ų120127.4 Ų127.478%0.77977%0.769SS**  trans-77.587.3176.131-33.4000110.9S942P940-S942 PolarHBondContact O-N 2.78Å; P940-S942 VanDerWaalsContact O-N 3.16Å
941A37.1Very low38.5Very low81 Ų81127 Ų12767%0.66977%0.769SS**  trans-77.892.4173.300000111.1I939 T943I939-A941 PolarHBondContact O-N 2.74Å; A941-T943 PolarHBondContact O-N 2.9Å
942S34.4Very low38.7Very low117 Ų117126.5 Ų126.582%0.81877%0.766SS**  trans-70.5112.9172.2-175.40000110.7P940P940-S942 PolarHBondContact O-N 2.78Å; P940-S942 VanDerWaalsContact O-N 3.16Å
943T44.2Very low38.7Very low125 Ų125127.8 Ų127.877%0.76777%0.768SS**  trans-137.6104.4175-280000109.6A941A941-T943 PolarHBondContact O-N 2.9Å
944N42.4Very low38.6Very low160 Ų160126.5 Ų126.586%0.85676%0.76SS**  trans-79.5146166.2-77.8-26.1000108.9
945G36.4Very low38.6Very low72 Ų72126.4 Ų126.474%0.74276%0.758SS**  trans157.512.1160.900000123.6
946N36.7Very low38.4Very low146 Ų146125.1 Ų125.178%0.78176%0.756SS**  trans75.2162150.9-156.918.4000119.9
947T39.8Very low38.3Very low117 Ų117120.3 Ų120.372%0.71875%0.745SS**  trans57.4105.1171.445.80000117.3
948T36.9Very low38.1Very low111 Ų111122.8 Ų122.868%0.68175%0.754SS**  cis95.510337-60.10000114.1
949T43.2Very low37.9Very low142 Ų142120.7 Ų120.787%0.87174%0.74SS**  trans-174.976.1137.619.30000113
950T35.3Very low37.5Very low119 Ų119119.4 Ų119.473%0.7374%0.739SS**  -3.8162.5128.93.40000119.7
951P41Very low37Very low107 Ų107120.8 Ų120.870%0.69574%0.739SS**  -138.6177.6-66.643.4-26.9000114.6
952T42.1Very low36.7Very low124 Ų124121.2 Ų121.276%0.76174%0.736SS**  trans-165.6117.3147.917.60000106.1
953D38Very low36.6Very low141 Ų141122.6 Ų122.675%0.75474%0.74SS**  76139.885.7-81.3-34.6000114.3
954T35.3Very low35.8Very low105 Ų105123 Ų12364%0.64474%0.742SS**  cis-168.6169.9-13.8-118.30000108.7
955I39.2Very low35.5Very low143 Ų143122 Ų12273%0.73374%0.743SS**  trans70.3111.3175.7-79157.7000113.3
956T37.6Very low35.3Very low127 Ų127123.7 Ų123.778%0.77974%0.743SS**  65.7124.969.1-540000111.9
957G34.7Very low35.2Very low61 Ų61123.7 Ų123.763%0.62974%0.743SS**  cis142.4167.33.200000109.9
958E30.6Very low35Very low185 Ų185126.9 Ų126.986%0.86475%0.749SS**  trans67.8159.9160.2-64.7-149-17400117.8
959T31.2Very low34.8Very low92 Ų92130 Ų13056%0.56476%0.756SS**  cis-166.1126.6-21.1-93.50000109.5
960T31.5Very low34.6Very low112 Ų112129.4 Ų129.469%0.68775%0.752SS**  trans64.9-178.7156.3-49.50000112.4S962T960-S962 WeakPolarHBondContact CG2-OG 2.96Å
961I30.4Very low34.5Very low150 Ų150128.4 Ų128.477%0.76975%0.75SS**  cis-144.3130.327.9-66.3157.1000107.9
962S29.6Very low34.3Very low89 Ų89128.4 Ų128.462%0.62275%0.749SS**  cis71.466.346.8-63.70000115.4T960 V964T960-S962 WeakPolarHBondContact CG2-OG 2.96Å; S962-V964 VanDerWaalsContact C-N 3.3Å; S962-V964 PolarHBondContact O-N 2.9Å
963T32.1Very low34.1Very low146 Ų146129.9 Ų129.990%0.89675%0.747SS**  trans-72.382.4167520000111.6
964V28.4Very low34.2Very low133 Ų133130.2 Ų130.281%0.80674%0.742SS**  trans-94.6138.4150.8173.50000107.3S962 S966S962-V964 VanDerWaalsContact C-N 3.3Å; S962-V964 PolarHBondContact O-N 2.9Å; V964-S966 PolarHBondContact O-N 3.39Å
965T35.9Very low34.5Very low141 Ų141129.8 Ų129.887%0.86574%0.743SS**  trans-74.3117.1-173.7-42.80000112.3
966S32.6Very low34.6Very low107 Ų107128.5 Ų128.575%0.74874%0.738SS**  trans-149.2145.4153.859.50000110.2V964V964-S966 PolarHBondContact O-N 3.39Å
967N33.3Very low34.9Very low145 Ų145129.7 Ų129.778%0.77573%0.734SS**  trans-49.7159.7177-48.3-7.5000111.5
968E35.9Very low35.1Very low184 Ų184133.2 Ų133.286%0.8674%0.739SS**  -161.9-169.653.4-157.5153.3-132.600113.3
969E33.9Very low35.6Very low178 Ų178129.4 Ų129.483%0.83273%0.728SS**  trans-83.8150.2-163.3-56.2178.9117.400115.9
970T38.8Very low35.9Very low128 Ų128133.2 Ų133.279%0.78574%0.739SS**  trans-169.4120.81497.20000105.5
971S33.4Very low36.2Very low98 Ų98135.3 Ų135.369%0.68574%0.743SS**  cis56.8126.942.7101.50000110.7
972T36.8Very low36.6Very low108 Ų108133.2 Ų133.266%0.66374%0.742SS**  cis-160.2133.428.5-68.60000110.7
973E37.1Very low36.7Very low154 Ų154134 Ų13472%0.7275%0.748SS**  trans58.3164.5159.6-69.2-165.1126.400118.6
974K39.6Very low37Very low149 Ų149130.5 Ų130.565%0.64874%0.74SS**  cis-156.6164.44.1-138.9176.1-173.783.60109.9
975S42.9Very low37Very low96 Ų96129.3 Ų129.367%0.67173%0.733SS**  trans65137.5151.462.70000120.2
976N41.4Very low37Very low116 Ų116129.4 Ų129.462%0.6273%0.734SS**  cis-167.2163.1-20.6-118.618.9000108.1
977E43.2Very low36.7Very low151 Ų151133 Ų13371%0.70673%0.732SS**  trans50.1129.2142-65.3152.317200119.4
978D39.2Very low37.2Very low135 Ų135131.6 Ų131.672%0.72273%0.729SS**  cis-167159.40.4-126.7-1.7000114.2
979V40.4Very low37Very low106 Ų106128.3 Ų128.364%0.64272%0.724SS**  trans55.7105.6138.3170.90000120.3
980E37.2Very low36.6Very low171 Ų171124.2 Ų124.280%0.79972%0.715SS**  91.9150128.5-84.5-175174.900125.2
981M38.6Very low36.1Very low157 Ų157124.7 Ų124.777%0.77372%0.718SS**  trans81.7113161.5-60.8-108.1-104.300115.9
982S38.2Very low36Very low105 Ų105124.9 Ų124.973%0.73472%0.719SS**  cis65.7138.333.1-159.30000114.5
983S31.3Very low35.7Very low107 Ų107126 Ų12675%0.74872%0.721SS**  trans61.2148.6-173.277.60000115.1
984G39.4Very low35.4Very low72 Ų72125.5 Ų125.574%0.74272%0.723SS**  trans-106.8149.6173.300000111.1
985T28.7Very low35Very low107 Ų107123.2 Ų123.266%0.65673%0.726SS**  trans-151.8139.6164.142.30000111.4Y987T985-Y987 HydrophobicContact CG2-CD2 3.61Å; T985-Y987 HydrophobicContact CG2-CE2 3.7Å
986T34.9Very low34.6Very low143 Ų143124.5 Ų124.588%0.87774%0.735SS**  trans174.462.8153.5-67.30000104
987Y26.3Very low34.4Very low183 Ų183122.2 Ų122.272%0.71874%0.739SS**  58.3113.475.2-105.2-94.9000113.5T985T985-Y987 HydrophobicContact CG2-CD2 3.61Å; T985-Y987 HydrophobicContact CG2-CE2 3.7Å
988T44.7Very low33.8Very low115 Ų115123.9 Ų123.971%0.70674%0.744SS**  trans-49.2142.2153.542.80000111.1
989P30.9Very low33.4Very low116 Ų116124.2 Ų124.275%0.75374%0.743SS**  -123.4123.6117.2-0.220.8000110
990S25.8Very low32.9Very low92 Ų92124.6 Ų124.664%0.64375%0.745SS**  74.9111.976-62.10000113.1
991T28Very low32.6Very low137 Ų137122 Ų12284%0.8474%0.742SS**  trans45.7116.3141.959.70000118.7
992S30.6Very low32.1Very low102 Ų102119.5 Ų119.571%0.71374%0.739SS**  -151144.896.461.90000112.1
993N30.9Very low31.7Very low131 Ų131119.9 Ų119.970%0.70174%0.737SS**  trans51.2117.9141.4-66.2-23.7000119.3
994N31Very low32.2Very low144 Ų144120 Ų12077%0.7773%0.733SS**  59.5132.376.9-66.5-40.3000111.9
995S32Very low32Very low101 Ų101121.5 Ų121.571%0.70673%0.73SS**  cis-171.5169.9-31790000107
996S33.2Very low32.1Very low123 Ų123124 Ų12486%0.8673%0.734SS**  trans64.1135-174.1770000114.7
997G37.1Very low32Very low68 Ų68122.9 Ų122.970%0.70173%0.728SS**  cis155.8173.9-9.600000111.8
998K31.8Very low32.3Very low187 Ų187120.6 Ų120.681%0.81373%0.728SS**  trans47.296152.1-179.8-177.3175.5-175.20114.8
999M31.2Very low31.9Very low142 Ų142119.3 Ų119.370%0.772%0.724SS**  cis-149149.847.2-74.5-172.2-17400109.3
1000T29.7Very low32.1Very low113 Ų113121.3 Ų121.369%0.69372%0.723SS**  63.1147.553.473.60000115.5
1001T29.5Very low32.7Very low118 Ų118124.1 Ų124.172%0.72473%0.726SS**  trans68.1137.116437.40000116.4
1002S28.8Very low33.2Very low104 Ų104122 Ų12273%0.72772%0.717SS**  66.9139.959.5-143.10000110.5
1003T30.3Very low33.5Very low113 Ų113123.1 Ų123.169%0.69372%0.72SS**  cis-153.6149.743.648.90000114.8
1004T41.9Very low33.9Very low108 Ų108121 Ų12166%0.66372%0.72SS**  trans-57.8142.1150.5-30.90000110.1E1006T1004-E1006 HydrophobicContact CG2-CB 3.93Å; T1004-E1006 HydrophobicContact CG2-CG 4Å
1005P35.6Very low34.2Very low104 Ų104118.6 Ų118.668%0.67572%0.72SS**  -123.8140.8115.8-2.322.8000110.5
1006E30.8Very low34.3Very low159 Ų159122.2 Ų122.274%0.74373%0.728SS**  cis53.75816.9-84.4-159.9153.700114.7T1004T1004-E1006 HydrophobicContact CG2-CB 3.93Å; T1004-E1006 HydrophobicContact CG2-CG 4Å
1007T31.6Very low34.5Very low121 Ų121122.1 Ų122.174%0.74272%0.722SS**  trans-142.2120130.644.50000107.2
1008N33.8Very low34.4Very low134 Ų134126.7 Ų126.772%0.71773%0.725SS**  cis112.4152.934.3-95-25000108.8
1009S34.9Very low34.6Very low89 Ų89122.9 Ų122.962%0.62272%0.718SS**  trans68.4113.2170.9-65.90000114.4
1010Q35.7Very low34.9Very low158 Ų158123.1 Ų123.174%0.73872%0.722SS**  73.4141.372.1-74.1173.8-74.200112.2
1011E37.6Very low35.4Very low150 Ų150124.6 Ų124.670%0.70173%0.725SS**  cis-170.6173.6-7.3173.9169.7159.100107.6
1012S38.4Very low35.7Very low93 Ų93121.7 Ų121.765%0.6572%0.719SS**  trans73.8109.2159.1-99.30000119.9
1013T38.8Very low36Very low126 Ų126122.2 Ų122.277%0.77372%0.723SS**  86.3115.4106.2-58.40000120.4
1014A38.6Very low36.4Very low85 Ų85125.4 Ų125.470%0.70273%0.73SS**  trans73101.5142.500000122.2
1015A36.2Very low36.1Very low95 Ų95125.7 Ų125.779%0.78574%0.736SS**  87.5161.5107.300000121.9
1016M35.2Very low36.1Very low177 Ų177127.6 Ų127.687%0.87274%0.74SS**  trans75.9127.8165.2-75.9-167.2167.800120.4
1017V36.2Very low36.5Very low121 Ų121127.6 Ų127.673%0.73374%0.742SS**  trans72143133.3166.80000117.8
1018Q35.4Very low36.9Very low163 Ų163127 Ų12776%0.76274%0.738SS**  cis-164.1155.8-21.7175.7169.6-18.700109.8
1019V36.3Very low37.2Very low108 Ų108126.3 Ų126.366%0.65574%0.739SS**  trans-34.2132.4170.5-164.20000116.2
1020N37.8Very low37.3Very low146 Ų146128.4 Ų128.478%0.78175%0.747SS**  176.7132.8124.3-84.2-27.9000109.7
1021N39.1Very low37.5Very low145 Ų145126.5 Ų126.578%0.77575%0.751SS**  cis88.412423-160.150.8000115.8
1022G36.9Very low37.5Very low57 Ų57126.2 Ų126.259%0.58876%0.755SS**  trans89.2117.5142.500000120.4
1023S35.7Very low37.5Very low115 Ų115126.9 Ų126.980%0.80476%0.76SS**  trans-174.8117136.952.50000107.3
1024E37.1Very low37.5Very low180 Ų180126.7 Ų126.784%0.84176%0.758SS**  cis74.4118.232.9-55.2-166.7-174.900115.9
1025S36Very low37.5Very low113 Ų113128.6 Ų128.679%0.7976%0.761SS**  trans177.4137.3168.7-86.70000106.9
1026L36.7Very low37.8Very low145 Ų145130.8 Ų130.876%0.75976%0.76SS**  cis-140.5140.98.6-89.3129.8000108.1
1027M38.1Very low37.9Very low159 Ų159129.7 Ų129.778%0.78376%0.757SS**  57.6149.397.9-67.5-86.6-163.600115.1
1028T39.9Very low38.4Very low109 Ų109132.8 Ų132.867%0.66976%0.763SS**  cis-164.3150.838-28.70000112.8
1029T40.4Very low38.7Very low119 Ų119130.9 Ų130.973%0.7376%0.763SS**  trans46.4131.3152.643.80000121.6
1030V37.3Very low38.9Very low132 Ų132133.8 Ų133.880%0.877%0.769SS**  cis84.9109.430.2-177.90000116.3
1031S39.9Very low39Very low118 Ų118131.3 Ų131.383%0.82576%0.763SS**  trans170.1162143.7-78.60000111
1032N38.4Very low39Very low144 Ų144130.1 Ų130.177%0.7776%0.761SS**  cis-168.6165.8-42.8-162.59.6000108.8
1033S38.7Very low39.6Very low108 Ų108133 Ų13376%0.75577%0.77SS**  trans95.3157.6168-37.60000119.3
1034T37.9Very low40Very low121 Ų121133.1 Ų133.174%0.74277%0.767SS**  -178.9135.8-59.9-89.90000113.7
1035V39.3Very low39.9Very low126 Ų126131.6 Ų131.676%0.76477%0.765SS**  trans65.4154.4172.4-109.30000124.9
1036N41.8Very low40.2Very low141 Ų141130.6 Ų130.675%0.75476%0.764SS**  trans77.1127.3161.4-62.8-5000118.6
1037L37.7Very low40.3Very low154 Ų154129.4 Ų129.481%0.80676%0.763SS**  cis12399.6-4.6-174.983.4000113
1038E45.3Very low40.7Very low185 Ų185131.2 Ų131.286%0.86477%0.769SS**  trans-170.9122.9149.9-103160.6-159.300105.2
1039T42.1Very low40.5Very low124 Ų124134.4 Ų134.476%0.76178%0.776SS**  67123.171-46.10000112.1
1040E41Very low40.6Very low169 Ų169136.8 Ų136.879%0.7978%0.783SS**  cis-117.4-137.22.8-151.7-156.954.800110
1041S40.5Very low40.3Very low93 Ų93135.9 Ų135.965%0.6578%0.778SS**  cis-146.4173.61.6-85.90000110.9
1042T39.4Very low40.1Very low120 Ų120136.8 Ų136.874%0.73678%0.778SS**  trans-150.7164.9167.6-29.40000109.7
1043P47.6Very low39.7Very low118 Ų118134.8 Ų134.877%0.76678%0.775SS**  -150.6-166.310046.6-28.4000112
1044P44.8Very low39.6Very low117 Ų117136.7 Ų136.776%0.7678%0.783SS**  -126.9169.9-96.434.3-14000115.1
1045N36.1Very low39.4Very low149 Ų149136.2 Ų136.280%0.79779%0.785SS**  trans-99.5145.6162.8-177.137000109.8
1046A41.8Very low39.4Very low92 Ų92140 Ų14076%0.7679%0.794SS**  trans-140.5146.4175.700000110.6
1047T38.6Very low39.1Very low120 Ų120138.6 Ų138.674%0.73680%0.795SS**  trans-151.9123.8-176.9-54.80000108.5
1048E47.2Very low39.6Very low197 Ų197137 Ų13792%0.92179%0.794SS**  trans-134.1136168.5-69.1-165.814600109.7
1049E35Very low39.4Very low175 Ų175137.4 Ų137.482%0.81880%0.796SS**  trans-84158.4165-59.3176.8104.200109.6
1050I41.9Very low39.3Very low169 Ų169136 Ų13687%0.86780%0.797SS**  trans-163.2143.7132.8-104.6152.2000109.9
1051T32.5Very low39.2Very low113 Ų113133.3 Ų133.369%0.69380%0.797SS**  trans-107.9134.5-172.5-41.40000111.9
1052V35.5Very low39.2Very low138 Ų138134.9 Ų134.984%0.83680%0.803SS**  trans-137.9143.4155-1760000108.2
1053S29.7Very low39.2Very low101 Ų101134.1 Ų134.171%0.70680%0.802SS**  trans-129.2141.9-179.2-51.50000111.1
1054T36.6Very low38.9Very low149 Ų149134.3 Ų134.391%0.91481%0.806SS**  trans-138.2143.3160.841.70000109.4
1055S33.7Very low38.6Very low111 Ų111131.8 Ų131.878%0.77680%0.801SS**  trans-128.9148.1-170.655.50000110.8
1056E38.2Very low38.7Very low204 Ų204132.7 Ų132.795%0.95381%0.805SS**  trans-152.6170154.4-120.6157.1-147.400111.9
1057S36.8Very low38.6Very low113 Ų113133.5 Ų133.579%0.7980%0.801SS**  trans-134.5156.8-147.2-172.30000113.6
1058P47.6Very low38.6Very low119 Ų119133.7 Ų133.777%0.77380%0.802SS**  trans-109169.4-167.741-35.8000116.8
1059E41.4Very low38.5Very low194 Ų194129.4 Ų129.491%0.90779%0.791SS**  trans-142.7156.4170-71.6-169.5166.400108.8
1060A40.2Very low38.8Very low95 Ų95127.8 Ų127.879%0.78579%0.793SS**  cis-160.3-176.8-17.300000111
1061S38.3Very low38.7Very low112 Ų112123.7 Ų123.778%0.78379%0.785SS**  trans-63.1176.3-171.9-45.30000116.6
1062T40.2Very low38.9Very low127 Ų127124.4 Ų124.478%0.77979%0.789SS**  cis-151.9154.33452.60000111.9
1063S39.2Very low39.2Very low104 Ų104123.5 Ų123.573%0.72778%0.784SS**  57.1138.462.3-154.40000114.3
1064S41.1Very low39.7Very low121 Ų121127 Ų12785%0.84679%0.789SS**  cis-143-172.79.2-59.70000109.9
1065G39.5Very low39.8Very low64 Ų64124.3 Ų124.366%0.6678%0.777SS**  cis151.3158.7-7.600000113.7
1066L38.5Very low40.1Very low168 Ų168125.3 Ų125.388%0.8878%0.778SS**  trans68.6157.4169.4-85.964.4000119.6
1067T39.3Very low40.2Very low110 Ų110119.8 Ų119.868%0.67577%0.767SS**  cis-166131.1-40.5210000112
1068T37.7Very low40.2Very low123 Ų123119.8 Ų119.876%0.75577%0.767SS**  trans11167.8133.652.10000123.7
1069P45.5Very low39.6Very low107 Ų107118.4 Ų118.470%0.69576%0.76SS**  cis-148.5-164.9-38.144.3-25.3000115.5
1070V40.8Very low39.4Very low141 Ų141120 Ų12086%0.85576%0.76SS**  trans73.7143.9154.3164.90000116.8
1071A39.5Very low39.3Very low84 Ų84120.5 Ų120.569%0.69476%0.757SS**  cis-145.2-172.914.400000115.3
1072T37Very low39Very low127 Ų127120 Ų12078%0.77975%0.754SS**  trans-32.7163.316850.70000118.6
1073T41.3Very low39.2Very low119 Ų119119.6 Ų119.673%0.7375%0.754SS**  -166.1178.350.7-33.80000113.7
1074E40.9Very low39.1Very low176 Ų176122.8 Ų122.882%0.82276%0.761SS**  trans-46.5168.5178.2-49.1163.2134.100115.9
1075S39.7Very low38.7Very low92 Ų92125.4 Ų125.464%0.64376%0.759SS**  cis-172.3157.829.7-153.20000116.2
1076T39.7Very low38.5Very low131 Ų131129.1 Ų129.180%0.80477%0.77SS**  trans60.6148.1148.745.80000125.3
1077A39.6Very low38.2Very low89 Ų89125.9 Ų125.974%0.73676%0.761SS**  trans73.8118.3161.300000117.3
1078S36.9Very low38.2Very low112 Ų112127.1 Ų127.178%0.78377%0.768SS**  77.2136.160.8-64.20000113.4
1079S35.7Very low37.9Very low90 Ų90128 Ų12863%0.62977%0.768SS**  cis-174.1137.9-2.2-103.50000111.1
1080Y36.9Very low37.5Very low228 Ų228130.1 Ų130.189%0.89478%0.779SS**  trans61.6163.4160.4-72.1-115.4000116.1
1081S37.4Very low37.1Very low105 Ų105129.3 Ų129.373%0.73477%0.774SS**  cis-153.9150.9-24.4178.60000108.9
1082S33Very low37Very low102 Ų102131.9 Ų131.971%0.71378%0.782SS**  trans-75.7-176.6168.4-40.70000111.9
1083P43.7Very low36.8Very low119 Ų119131.2 Ų131.277%0.77378%0.778SS**  cis-128.1-171.6-49.433.5-16.2000111.2
1084I36.5Very low36.7Very low170 Ų170132.6 Ų132.687%0.87278%0.779SS**  trans-158.8154.1147.2-111158.3000110.8
1085E33.2Very low36.4Very low176 Ų176132.5 Ų132.582%0.82278%0.779SS**  trans-78.4154-171-50.2164.114000113.8
1086T35.9Very low36.2Very low143 Ų143133.3 Ų133.388%0.87779%0.785SS**  trans-155.2132135.9-540000109.2
1087S32.7Very low36.2Very low100 Ų100131.4 Ų131.470%0.69978%0.776SS**  trans-87.5148.7178.6176.20000112.5
1088T37.8Very low36.2Very low135 Ų135135.2 Ų135.283%0.82878%0.784SS**  trans-169.7156.7136.611.20000113.4
1089L33.3Very low36.3Very low143 Ų143135.4 Ų135.475%0.74978%0.782SS**  trans-72.7151.3-174.6-66.162.4000113.4
1090T37Very low36.5Very low150 Ų150139.5 Ų139.592%0.9279%0.793SS**  -166.9145.1113.210.10000114.3
1091T31.9Very low36.4Very low124 Ų124133.2 Ų133.276%0.76178%0.783SS**  trans-82.6147.9-178.3-41.10000113
1092T37.7Very low36.4Very low139 Ų139133.9 Ų133.985%0.85378%0.783SS**  trans-162.7139.3144.1-74.80000111
1093T32.5Very low36.6Very low113 Ų113136.9 Ų136.969%0.69379%0.79SS**  trans-87.8160.1-176.3-31.50000113
1094I38.2Very low36.4Very low147 Ų147140.3 Ų140.375%0.75480%0.796SS**  178.5128.4127.7-90.3153.1000113.3
1095Q35.4Very low37Very low175 Ų175138.3 Ų138.382%0.81879%0.794SS**  trans0.3140.9155.5-52.4164.6-65.500121.3
1096S35Very low37.1Very low109 Ų109135.5 Ų135.576%0.76279%0.794SS**  176.9117.593.2-158.40000117.5
1097S39Very low37.2Very low90 Ų90137.1 Ų137.163%0.62980%0.797SS**  trans58.1116.6134.167.80000126
1098L39.9Very low37.3Very low170 Ų170137.1 Ų137.189%0.8980%0.797SS**  83.2155.5128.2-8771.7000121.7
1099P40.3Very low37.2Very low115 Ų115137 Ų13775%0.74780%0.796SS**  trans-141.2-178.7-135.145.1-26.4000117.9
1100M38.4Very low37.3Very low177 Ų177135.5 Ų135.587%0.87279%0.793SS**  trans-170.8117.1147.2-102167.973.500108.9
1101S36.6Very low37.3Very low96 Ų96134 Ų13467%0.67179%0.788SS**  63.782.288.8-167.40000113.4
1102T36.4Very low37.5Very low119 Ų119136.2 Ų136.273%0.7379%0.792SS**  76123.277.859.60000116.6
1103N37.7Very low37.4Very low164 Ų164136.8 Ų136.888%0.87779%0.785SS**  trans178.8105.7140.2-94.9-16.1000112.3
1104E38.9Very low37.6Very low192 Ų192139.6 Ų139.690%0.89780%0.795SS**  trans-138145151.1-87.7-156.1145.300108.8
1105P49.2Very low37.5Very low127 Ų127140.3 Ų140.383%0.82580%0.795SS**  trans-94.8126-178.334.6-31000112.8
1106S35.1Very low37.4Very low118 Ų118137.5 Ų137.583%0.82579%0.794SS**  trans-80.7155.3157.354.10000110.5
1107L38.4Very low37.5Very low177 Ų177138.9 Ų138.993%0.92780%0.798SS**  trans-131.9134.4171.2-105.6169.5000110
1108S34.8Very low37.3Very low100 Ų100137.5 Ų137.570%0.69980%0.798SS**  trans-79.6146-165.4-178.20000113.7
1109T34.9Very low37.2Very low133 Ų133136.3 Ų136.382%0.81680%0.798SS**  trans-83.4102.716046.80000109.8S1111T1109-S1111 PolarHBondContact O-N 3.49Å
1110T36.4Very low36.9Very low111 Ų111136.5 Ų136.568%0.68180%0.802SS**  trans-83.8109.7170.9-52.10000110.2
1111S35.7Very low36.9Very low117 Ų117137.2 Ų137.282%0.81880%0.804SS**  trans-66.4136.7161.7-63.10000109.7T1109T1109-S1111 PolarHBondContact O-N 3.49Å
1112M37.4Very low36.9Very low172 Ų172140.5 Ų140.585%0.84781%0.813SS**  trans-128.1130.5160.7-90.1-174.5-74.600109.1
1113E35.8Very low36.8Very low150 Ų150142.3 Ų142.370%0.70182%0.816SS**  trans-75.3145.6-177.2-166-179.6139.800110.9Q1115E1113-Q1115 HydrophobicContact CG-CG 4.33Å; E1113-Q1115 VanDerWaalsContact OE1-CG 3.25Å; E1113-Q1115 WeakPolarHBondContact OE1-CG 3.47Å; E1113-Q1115 PolarHBondContact OE1-NE2 3.36Å
1114L37.1Very low36.8Very low173 Ų173142 Ų14291%0.90681%0.814SS**  trans-118.488.5173.3-77.9174.4000109.3
1115Q35Very low36.4Very low162 Ų162137.7 Ų137.776%0.75781%0.806SS**  trans-74.4144.3166.4-65.2-168.51.200110.6E1113E1113-Q1115 HydrophobicContact CG-CG 4.33Å; E1113-Q1115 VanDerWaalsContact OE1-CG 3.25Å; E1113-Q1115 WeakPolarHBondContact OE1-CG 3.47Å; E1113-Q1115 PolarHBondContact OE1-NE2 3.36Å
1116S33.7Very low35.7Very low115 Ų115138.4 Ų138.480%0.80481%0.808SS**  trans-92124.2-175.6169.10000111.5
1117V37.6Very low35.8Very low138 Ų138138.7 Ų138.784%0.83681%0.805SS**  trans-128.6115.6158-177.80000107.9
1118G34.8Very low35.7Very low62 Ų62135 Ų13564%0.63979%0.794SS**  trans-89156.8175.600000112.2
1119T38Very low35.7Very low145 Ų145138.3 Ų138.389%0.8980%0.798SS**  trans-156.2127.8156.7-9.70000109.3
1120S32.3Very low35.7Very low119 Ų119136.7 Ų136.783%0.83279%0.793SS**  trans-81.7140.4174.8-540000110.1
1121E38.4Very low35.8Very low192 Ų192138.5 Ų138.590%0.89780%0.798SS**  trans-155.5174.1148.3-127.8179.3-14400113.9
1122L37.5Very low35.9Very low165 Ų165141.2 Ų141.286%0.86480%0.8SS**  trans-86.3154.7-153.2-105.168.5000115.9N1124L1122-N1124 PolarHBondContact O-N 2.97Å
1123I33.9Very low35.9Very low157 Ų157139.2 Ų139.281%0.80580%0.803SS**  trans-64.3125.6160.9-57.4163.9000108.9
1124N37.8Very low36.4Very low156 Ų156137.5 Ų137.583%0.83481%0.807SS**  trans-149145.8151.5-135-22.5000112.4L1122L1122-N1124 PolarHBondContact O-N 2.97Å
1125S29.9Very low36.4Very low103 Ų103137.8 Ų137.872%0.7280%0.804SS**  trans-104.1131.1-172.2-65.20000112.1
1126T35.5Very low36.9Very low142 Ų142135.4 Ų135.487%0.87180%0.802SS**  trans-134.9129.4167.3-45.40000110.8
1127T37.8Very low37.2Very low124 Ų124136.6 Ų136.676%0.76181%0.805SS**  trans-107.5157.9177.9-62.30000110
1128S35.8Very low37.4Very low98 Ų98136.5 Ų136.569%0.68581%0.805SS**  trans93.4150.2174.9-39.90000114.1
1129Q34.8Very low37.6Very low170 Ų170140.5 Ų140.579%0.79482%0.817SS**  cis-158158.36.4-142.3161.547.700112.7
1130S34.7Very low37.5Very low100 Ų100142 Ų14270%0.69982%0.819SS**  trans61.6144.8159.5640000117.7
1131N39Very low37.8Very low148 Ų148139.4 Ų139.479%0.79181%0.811SS**  cis-160.9164.646.5-133.6-21.1000114.6
1132M36.5Very low37.7Very low174 Ų174135.3 Ų135.386%0.85780%0.804SS**  trans58.6106.6164.7-54.9-139.8-5600121.2
1133S39.4Very low37.7Very low130 Ų130136.4 Ų136.491%0.90981%0.805SS**  -156151.7128.1-167.10000109.2
1134S44.6Very low38Very low114 Ų114133.9 Ų133.980%0.79780%0.801SS**  trans-104.1155.6-161.6560000116.5
1135E38.5Very low38.2Very low180 Ų180132 Ų13284%0.84180%0.795SS**  trans-41.9174.7162.9-80.4-171138.600117.1
1136P44.2Very low38.8Very low111 Ų111134 Ų13472%0.72179%0.793SS**  cis-137.517717.141-23000118
1137T39.6Very low39Very low141 Ų141134 Ų13487%0.86578%0.781SS**  trans-147.3148.7150.7-60.90000109.6
1138T42.5Very low39.2Very low136 Ų136134.5 Ų134.583%0.83477%0.774SS**  trans-85.4158.2-158.832.10000117.2
1139T39.2Very low39.5Very low145 Ų145137.6 Ų137.689%0.8978%0.783SS**  trans-68.7152.1-178.1-450000114.4
1140L36.5Very low39.8Very low176 Ų176133 Ų13392%0.92178%0.781SS**  trans-104.3143.7174.3-104.9168.7000113
1141G38.9Very low40.1Very low66 Ų66134.5 Ų134.568%0.6879%0.791SS**  trans169.5149.116600000110.5
1142S34.9Very low40.1Very low105 Ų105130.3 Ų130.373%0.73478%0.783SS**  cis-168.2174.9-9.9410000108.7
1143E38.1Very low40.3Very low189 Ų189128.1 Ų128.188%0.88378%0.78SS**  trans68.8155.5175.6-46.1-178.5125.200113.8
1144S39.4Very low40.4Very low104 Ų104126 Ų12673%0.72777%0.765SS**  cis-164.1172.2-20.552.40000107.2
1145T42.3Very low40.1Very low116 Ų116128.1 Ų128.171%0.71276%0.764SS**  cis-157.9-1779.3-16.80000111
1146E41.9Very low40Very low144 Ų144126.5 Ų126.567%0.67376%0.76SS**  trans-3.9153.1144.3-69-170.1165.300120.6
1147K40.9Very low39.7Very low144 Ų144127.9 Ų127.963%0.62676%0.76SS**  cis-174.7174.912.3-116173.1-173145.70109.2
1148E42.5Very low39.4Very low133 Ų133129.3 Ų129.362%0.62176%0.757SS**  cis-164.7166.1-15.5-149.3178.99800109.4
1149L42.4Very low39.2Very low164 Ų164128.3 Ų128.386%0.85975%0.753SS**  trans63.7145.4165.8-52.9171.1000117.5
1150G39.9Very low39.2Very low74 Ų74128.2 Ų128.276%0.76375%0.752SS**  cis178.7179.5-300000107.5
1151S41Very low39.1Very low130 Ų130126 Ų12691%0.90975%0.746SS**  cis-166158.2-2.1-179.60000108.7
1152G39.5Very low39Very low61 Ų61128.2 Ų128.263%0.62975%0.749SS**  trans112.798.2175.700000113.9
1153T40.5Very low38.9Very low127 Ų127128.7 Ų128.778%0.77975%0.752SS**  69.7121.265.7-49.70000111.4
1154S40.7Very low38.5Very low85 Ų85126.3 Ų126.359%0.59475%0.75SS**  cis-145.7141.430.2-120.80000112.5
1155M39.2Very low38.1Very low160 Ų160127.2 Ų127.279%0.78876%0.756SS**  62.4138.9101.7-60.4-173.6-15800116.1
1156L36.2Very low37.6Very low145 Ų145127.9 Ų127.976%0.75976%0.76SS**  cis-168.7167.4-8.5-138.965.5000105.8
1157I38.4Very low37.3Very low140 Ų140127.5 Ų127.572%0.71877%0.768SS**  cis-138.5119.16-54.7170.6000104.5
1158Q32.1Very low37.1Very low172 Ų172125 Ų12580%0.80477%0.769SS**  66.4126.382.2-156.3172.8-2.300116.6
1159P39.9Very low37Very low114 Ų114127.8 Ų127.874%0.7478%0.782SS**  trans-110.6167.8-174.541.6-35.5000115.1
1160T37.5Very low36.8Very low143 Ų143124.2 Ų124.288%0.87777%0.771SS**  trans-157.8132.9162.819.30000113.2
1161T35.9Very low37Very low129 Ų129127.6 Ų127.679%0.79177%0.772SS**  trans-81.2174.714849.70000108.9
1162P36.9Very low37.1Very low113 Ų113127.6 Ų127.673%0.73477%0.766SS**  cis-139.3-146.612.244.3-23.7000113.5
1163S32.6Very low37.3Very low116 Ų116129.1 Ų129.181%0.81177%0.767SS**  trans93.7157.3154.778.60000119.6
1164V28.5Very low37.6Very low139 Ų139127.5 Ų127.584%0.84276%0.761SS**  trans-119.3136.9-169.5172.70000109.4
1165S32Very low37.6Very low122 Ų122132.4 Ų132.485%0.85377%0.774SS**  trans-156129.6164.959.70000113.2
1166T30.9Very low37.9Very low130 Ų130129.7 Ų129.780%0.79877%0.768SS**  trans-94.8152.3175.447.70000112.6
1167T36.1Very low38.1Very low137 Ų137127.8 Ų127.884%0.8476%0.763SS**  trans171.1143.7154.3-94.30000111.3
1168S37.3Very low38.2Very low92 Ų92127 Ų12764%0.64377%0.765SS**  cis-169177.1-18.8-880000109.8
1169Q38.6Very low38.3Very low191 Ų191123.8 Ų123.889%0.89376%0.757SS**  trans84.5132.2161.5-57.9-177.9-0.900117.4
1170S39.3Very low38.2Very low89 Ų89125.2 Ų125.262%0.62276%0.758SS**  cis-166.5157.1-10.558.40000113.5
1171N43.2Very low38.2Very low145 Ų145125.6 Ų125.678%0.77575%0.749SS**  trans71.3129150.2-69.22.6000118.2
1172V43.6Very low38.1Very low130 Ų130125 Ų12579%0.78875%0.751SS**  cis-158.6176-7.5-133.70000106.8
1173S43.6Very low38.1Very low93 Ų93122.6 Ų122.665%0.6575%0.746SS**  cis-160.5166.13-159.20000112.9
1174S46.8Very low38.2Very low93 Ų93124.7 Ų124.765%0.6575%0.748SS**  trans16.7145.2144.761.10000124.2
1175E41Very low38.5Very low187 Ų187123.4 Ų123.487%0.87474%0.74SS**  cis-165171.9-11.8-103.3-150125.200110.3
1176P46.6Very low38.7Very low103 Ų103125.3 Ų125.367%0.66974%0.736SS**  trans-132.2-127.1-143.545.9-29.7000116.2
1177T40.5Very low38.9Very low106 Ų106124.9 Ų124.965%0.6573%0.728SS**  trans101.5101.5152.39.40000121.3
1178T38.8Very low38.9Very low122 Ų122126.4 Ų126.475%0.74872%0.723SS**  72.6157.3124.355.60000121.4
1179T35.4Very low38.9Very low105 Ų105129.8 Ų129.864%0.64473%0.733SS**  cis179.5143.1-5.8-97.80000113.1
1180L38Very low38.8Very low145 Ų145124 Ų12476%0.75973%0.726SS**  trans56.5175.1160.8-61.2167.8000117.3
1181E37.6Very low38.6Very low150 Ų150126 Ų12670%0.70174%0.739SS**  cis-157.9146.9-15.7-129.5164.2-175.800112.7
1182S33.5Very low38.3Very low117 Ų117122.3 Ų122.382%0.81874%0.735SS**  trans56.8164.5142.881.90000123.7
1183G36.7Very low37.9Very low62 Ų62121.3 Ų121.364%0.63974%0.741SS**  trans94.490.4157.700000115.9
1184L34.1Very low37.5Very low161 Ų161121.6 Ų121.684%0.84374%0.743SS**  81.7126.766.9-72.1171.7000116.6
1185T35.3Very low36.8Very low111 Ų111125.6 Ų125.668%0.68175%0.753SS**  trans70.5116.2142.851.10000122.5
1186E36.3Very low36.3Very low163 Ų163121.7 Ų121.776%0.76275%0.747SS**  96116.5119-80.6-164.3-161.800123.4
1187N33.7Very low35.9Very low121 Ų121124.3 Ų124.365%0.64775%0.753SS**  89.1130121.9-86.6-40.6000123.6
1188K37.9Very low35.6Very low168 Ų168126.8 Ų126.873%0.7376%0.758SS**  trans82.6124.6136.3-82.4-179.8167.2-177.80121.7
1189L36.5Very low35.5Very low163 Ų163126.8 Ų126.885%0.85376%0.76SS**  trans61.5128.1136.3-60.9163.9000118.1
1190G36.6Very low35.8Very low71 Ų71127.8 Ų127.873%0.73277%0.766SS**  cis153.1174.7-400000112.6
1191S35Very low35.8Very low129 Ų129127.5 Ų127.590%0.90277%0.771SS**  trans5994.8162-177.50000119.6
1192G36Very low36.2Very low68 Ų68125.8 Ų125.870%0.70177%0.772SS**  105.1143.510000000120.4
1193A36.8Very low36.3Very low109 Ų109125 Ų12590%0.90177%0.767SS**  trans65.6158.2157.800000118.7
1194S33.5Very low36.3Very low99 Ų99128.1 Ų128.169%0.69277%0.773SS**  cis-173.6162.4-27.9-174.40000108.1
1195M32.3Very low36.4Very low177 Ų177125.7 Ų125.787%0.87277%0.77SS**  trans67.3125.1173.8-64.7169.8-176.100114.8
1196S32Very low36.5Very low105 Ų105126 Ų12673%0.73477%0.772SS**  85.9128.151.8-176.10000113.1
1197I37.6Very low36.5Very low158 Ų158123.4 Ų123.481%0.8177%0.767SS**  trans-176.9104.6140.5-92.2150.9000109.6
1198Q33.7Very low36.7Very low158 Ų158125.9 Ų125.974%0.73878%0.775SS**  trans37.7126.1130.6-169.1175.32.300121.6
1199P36.4Very low36.8Very low123 Ų123124 Ų12480%0.79978%0.777SS**  trans-86.1163.3162.836.5-34.2000113
1200T42.1Very low37.1Very low125 Ų125123.1 Ų123.177%0.76777%0.769SS**  trans-138.1128.2175.451.50000112.3
1201T39.3Very low37.5Very low140 Ų140125.6 Ų125.686%0.85977%0.772SS**  trans-93.2160.717349.60000112.5
1202P44.6Very low37.7Very low114 Ų114123.7 Ų123.774%0.7476%0.755SS**  trans-138.5100.5156.634.2-16.5000115.3
1203S36.8Very low37.9Very low101 Ų101127.6 Ų127.671%0.70677%0.765SS**  45.3120.4127.5650000124.5
1204V36.6Very low38Very low127 Ų127127 Ų12777%0.7775%0.751SS**  58.2121.7119.2-177.80000122.1T1206V1204-T1206 HydrophobicContact CG1-CG2 4.41Å
1205S36.1Very low38.3Very low109 Ų109131.7 Ų131.776%0.76276%0.761SS**  170.4109.4127.234.50000110.8
1206T37.4Very low38.7Very low118 Ų118128.4 Ų128.472%0.72475%0.751SS**  87.1130.566.257.70000117.2V1204V1204-T1206 HydrophobicContact CG1-CG2 4.41Å
1207T35.7Very low38.9Very low109 Ų109132 Ų13267%0.66976%0.762SS**  trans104.7126.4142.7-24.40000121.3
1208E37.7Very low39Very low172 Ų172132 Ų13280%0.80476%0.758SS**  trans65.9137.8147.1-91.9158.9-133.400120.7
1209T40.1Very low39.1Very low128 Ų128129.8 Ų129.879%0.78576%0.76SS**  cis-156.8163.814.6-43.60000112.7
1210E41.9Very low39.5Very low146 Ų146131.6 Ų131.668%0.68276%0.758SS**  trans-67177.6165.9-125-162.5-12500113.8T1212E1210-T1212 PolarHBondContact OE2-OG1 3.14Å
1211P44.9Very low39.2Very low122 Ų122131.7 Ų131.779%0.79276%0.758SS**  cis-149.4168.848.242.7-20.6000121.4
1212T39.8Very low39.4Very low89 Ų89134.2 Ų134.255%0.54676%0.76SS.*  trans-64.7154.9176-56.80000118E1210E1210-T1212 PolarHBondContact OE2-OG1 3.14Å
1213V41Very low39.1Very low150 Ų150134.6 Ų134.691%0.90976%0.761SS**  trans-140.4154150.5-178.10000110.1
1214T37.6Very low39.1Very low98 Ų98135.4 Ų135.460%0.60177%0.766SS**  trans-138.1142.1-156.9-46.80000114.8
1215E41.2Very low39.4Very low196 Ų196134.4 Ų134.492%0.91677%0.765SS**  trans-138.1116.4145.4-70.5-165.9142.100107.5
1216T41Very low39.6Very low108 Ų108137.1 Ų137.166%0.66377%0.765SS**  cis89.285.548.6-560000113
1217L36Very low39.7Very low182 Ų182138 Ų13895%0.95377%0.766SS**  trans-99.6133.9154.4-80.9169.3000108.3
1218Q40.2Very low40.1Very low157 Ų157145.4 Ų145.473%0.73479%0.793SS**  trans-122.4118.8-177.7-167.9170.5-7.100110.3
1219S35Very low40.2Very low111 Ų111144.1 Ų144.178%0.77679%0.792SS**  trans-96.3129.7172.458.40000110.2
1220E45.4Very low40.2Very low162 Ų162144.9 Ų144.976%0.75779%0.792SS**  trans-120.9128.6163.4-69.3-171.6162.300109.5
1221T34.5Very low40.1Very low126 Ų126144.8 Ų144.877%0.77380%0.798SS**  trans-123.2110.1174.5-64.20000106.5
1222E44.3Very low39.8Very low194 Ų194146.2 Ų146.291%0.90780%0.799SS**  trans-115.9155.7168.6-73-145.1129.500111.1
1223T37.8Very low39.9Very low122 Ų122149.8 Ų149.875%0.74882%0.815SS**  trans-128.6163-158.356.50000112.1
1224S37.5Very low39.8Very low118 Ų118149.7 Ų149.783%0.82581%0.808SS**  trans74.9145.6172-134.60000114.2
1225S42.2Very low39.9Very low106 Ų106153.4 Ų153.474%0.74182%0.823SS**  cis-155.2176.925.9500000113.7
1226H40.6Very low39.8Very low165 Ų165150.2 Ų150.276%0.76482%0.816SS**  trans-20.6155.5161.4-74-3.7000118.3
1227N39.8Very low39.7Very low138 Ų138153.7 Ų153.774%0.73883%0.829SS**  cis-162.5143.711.5-114.8-2.5000110.1
1228E43.7Very low40.1Very low263 Ų263151.1 Ų151.1100%1.22982%0.817SS**  -170.10108.1-165.6162.9-130.900110.3

Retrieved 1,228 of 1,228 residues in 725.5 ms (Link to these results)