A0A077YXA2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YXA2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 418 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
1M35.3Very low36.6Very low219 Ų219142.1 Ų142.1100%1.07977%0.77SS**  0102.30-71.6-172160.700107.5F3M1-F3 WeakPolarHBondContact O-CE2 3.02Å; M1-F3 PolarHBondContact O-N 3.17Å
2S34.2Very low37.1Very low113 Ų113139 Ų13979%0.7977%0.765SS**  trans-81.3108.9179.650.10000108.7V4S2-V4 PolarHBondContact O-N 2.99Å
3F33.4Very low37.8Very low187 Ų187134.5 Ų134.582%0.8275%0.747SS**  trans-66.1103.1173.6-50.4-84.9000107.9M1 R5M1-F3 WeakPolarHBondContact O-CE2 3.02Å; M1-F3 PolarHBondContact O-N 3.17Å; F3-R5 VanDerWaalsContact C-N 3.33Å; F3-R5 PolarHBondContact O-N 3.01Å
4V33.6Very low38.5Very low126 Ų126134.8 Ų134.876%0.76475%0.745SS**  trans-66.2101.2165.9179.50000105.1S2 L6S2-V4 PolarHBondContact O-N 2.99Å; V4-L6 PolarHBondContact O-N 3.48Å
5R36.7Very low39.4Very low227 Ų227136.1 Ų136.186%0.85774%0.743SS**  trans-58.5104.4168.7-90.7-179.8172.1162.6-3.2106.3F3 V7F3-R5 VanDerWaalsContact C-N 3.33Å; F3-R5 PolarHBondContact O-N 3.01Å; R5-V7 PolarHBondContact O-N 3.21Å
6L35.3Very low40.4Very low168 Ų168130.3 Ų130.388%0.8873%0.725SS**  trans-58.896160-91.4129000106.2V4 H8V4-L6 PolarHBondContact O-N 3.48Å; L6-H8 PolarHBondContact O-N 3.32Å; L6-H8 VanDerWaalsContact O-N 3.08Å
7V35.9Very low41.3Very low111 Ų111129.1 Ų129.167%0.67372%0.716SS**  trans-65.3107.7168.8177.10000105R5 S11R5-V7 PolarHBondContact O-N 3.21Å; V7-S11 VanDerWaalsContact CG1-OG 3.24Å; V7-S11 WeakPolarHBondContact CG1-OG 3.45Å
8H34.2Very low43Very low137 Ų137127.7 Ų127.763%0.63471%0.707SS**  trans-55.8127.6179.4-156.3-86.1000108L6 A10 S11L6-H8 PolarHBondContact O-N 3.32Å; L6-H8 VanDerWaalsContact O-N 3.08Å; H8-A10 WeakPolarHBondContact ND1-CB 3.2Å; H8-A10 PolarHBondContact O-N 3.22Å; H8-S11 PolarHBondContact O-N 2.98Å; H8-S11 PolarHBondContact O-OG 2.99Å
9P41.7Very low44.3Very low112 Ų112123.8 Ų123.873%0.72769%0.694SS**G310 helixtrans-61.4-11.2-17621.9-31.7000113.5S11 C12P9-S11 PolarHBondContact O-N 3.06Å; P9-C12 PolarHBondContact O-N 3.01Å
10A43.2Very low45.6Very low86 Ų86121.4 Ų121.471%0.71168%0.682SS**G310 helixtrans-67.4-5.6170.700000114.5H8H8-A10 WeakPolarHBondContact ND1-CB 3.2Å; H8-A10 PolarHBondContact O-N 3.22Å
11S39.4Very low46.9Very low77 Ų77120.7 Ų120.754%0.53867%0.674SS.*G310 helixtrans-98.95177.156.60000114.2V7 H8 P9V7-S11 VanDerWaalsContact CG1-OG 3.24Å; V7-S11 WeakPolarHBondContact CG1-OG 3.45Å; H8-S11 PolarHBondContact O-N 2.98Å; H8-S11 PolarHBondContact O-OG 2.99Å; P9-S11 PolarHBondContact O-N 3.06Å
12C42Very low48.8Very low105 Ų105116.6 Ų116.671%0.70965%0.653SS**SBendtrans-67.5121.8164.3-94.60000108.3P9 L14P9-C12 PolarHBondContact O-N 3.01Å; C12-L14 PolarHBondContact O-N 2.97Å
13P46.3Very low50.8Low81 Ų81116.2 Ų116.253%0.52664%0.641SS.*  trans-68.1129.1-165.227.7-33.2000109.6E15 G16P13-E15 HydrophobicContact CB-CB 4.13Å; P13-E15 HydrophobicContact CB-CG 4.23Å; P13-E15 PolarHBondContact O-N 2.71Å; P13-G16 PolarHBondContact O-N 3.25Å
14L47.6Very low53Low138 Ų138110.4 Ų110.472%0.72362%0.623SS**THydrogen-bonded Turntrans-48.7-17.8168.1-78152.3000113C12 G16 L17 D18C12-L14 PolarHBondContact O-N 2.97Å; L14-G16 PolarHBondContact O-N 2.91Å; L14-L17 HydrophobicContact CD2-CD2 4.34Å; L14-L17 WeakPolarHBondContact O-CB 3.49Å; L14-L17 PolarHBondContact O-N 3.36Å; L14-D18 PolarHBondContact O-N 2.59Å
15E52.7Low55.1Low154 Ų154107.3 Ų107.372%0.7261%0.606SS**Hα-helixtrans-51.7-36170.9-66.9175.916500113P13 A19P13-E15 HydrophobicContact CB-CB 4.13Å; P13-E15 HydrophobicContact CB-CG 4.23Å; P13-E15 PolarHBondContact O-N 2.71Å; E15-A19 WeakPolarHBondContact O-CB 3.46Å; E15-A19 PolarHBondContact O-N 3.2Å; E15-A19 VanDerWaalsContact O-N 3.1Å
16G55.6Low57.2Low43 Ų4398.9 Ų98.944%0.44359%0.585SS.*Hα-helixtrans-69.2-39.1175.500000112.5P13 L14 T20P13-G16 PolarHBondContact O-N 3.25Å; L14-G16 PolarHBondContact O-N 2.91Å; G16-T20 WeakPolarHBondContact O-CG2 3.49Å; G16-T20 PolarHBondContact O-N 3.27Å; G16-T20 PolarHBondContact O-OG1 2.87Å
17L55.1Low59.6Low110 Ų11094.8 Ų94.858%0.57656%0.563SS**Hα-helixtrans-68.1-41.2178.9-160.782.6000110.6L14 T20 M21L14-L17 HydrophobicContact CD2-CD2 4.34Å; L14-L17 WeakPolarHBondContact O-CB 3.49Å; L14-L17 PolarHBondContact O-N 3.36Å; L17-T20 WeakPolarHBondContact CA-OG1 3.35Å; L17-T20 PolarHBondContact O-N 2.93Å; L17-T20 PolarHBondContact O-OG1 2.88Å; L17-M21 WeakPolarHBondContact O-CG 3.22Å; L17-M21 PolarHBondContact O-N 3.08Å
18D71.2Confident62Low105 Ų10595.4 Ų95.456%0.56156%0.559SS**Hα-helixtrans-63.5-46.2177.9-145.317.7000110.8L14 T20 M21 E22L14-D18 PolarHBondContact O-N 2.59Å; D18-T20 VanDerWaalsContact C-N 3.3Å; D18-T20 PolarHBondContact O-N 3.06Å; D18-M21 PolarHBondContact O-N 2.77Å; D18-M21 VanDerWaalsContact O-N 3.08Å; D18-E22 WeakPolarHBondContact O-CG 3.41Å; D18-E22 PolarHBondContact O-N 3.46Å
19A69Low64.5Low54 Ų5495.6 Ų95.645%0.44656%0.56SS.*Hα-helixtrans-60.8-36.3173.600000112.9E15 L23E15-A19 WeakPolarHBondContact O-CB 3.46Å; E15-A19 PolarHBondContact O-N 3.2Å; E15-A19 VanDerWaalsContact O-N 3.1Å; A19-L23 WeakPolarHBondContact O-CB 3.36Å; A19-L23 PolarHBondContact O-N 2.94Å
20T69.3Low66.7Low74 Ų7496.1 Ų96.145%0.45455%0.554SS.*Hα-helixtrans-70.3-35.7173.758.40000112.9G16 L17 D18 L23 C24G16-T20 WeakPolarHBondContact O-CG2 3.49Å; G16-T20 PolarHBondContact O-N 3.27Å; G16-T20 PolarHBondContact O-OG1 2.87Å; L17-T20 WeakPolarHBondContact CA-OG1 3.35Å; L17-T20 PolarHBondContact O-N 2.93Å; L17-T20 PolarHBondContact O-OG1 2.88Å; D18-T20 VanDerWaalsContact C-N 3.3Å; D18-T20 PolarHBondContact O-N 3.06Å; T20-L23 PolarHBondContact O-N 3.43Å; T20-C24 PolarHBondContact O-N 3.25Å; T20-C24 PolarHBondContact O-SG 3.25Å
21M72.8Confident68.8Low107 Ų10795.3 Ų95.353%0.52754%0.54SS..Hα-helixtrans-67.6-44.4175.6-77.5-62.3-58.500111.2L17 D18 L23 C24 C25L17-M21 WeakPolarHBondContact O-CG 3.22Å; L17-M21 PolarHBondContact O-N 3.08Å; D18-M21 PolarHBondContact O-N 2.77Å; D18-M21 VanDerWaalsContact O-N 3.08Å; M21-L23 VanDerWaalsContact C-N 3.3Å; M21-L23 PolarHBondContact O-N 3.11Å; M21-C24 PolarHBondContact O-N 3.46Å; M21-C25 PolarHBondContact O-N 2.96Å; M21-C25 PolarHBondContact O-SG 3.16Å
22E75.1Confident71.1Confident134 Ų13495.9 Ų95.963%0.62654%0.537SS*.Hα-helixtrans-58.3-42.4173-72.7-174.5168.200111.7D18 C25 A26D18-E22 WeakPolarHBondContact O-CG 3.41Å; D18-E22 PolarHBondContact O-N 3.46Å; E22-C25 PolarHBondContact O-N 2.84Å; E22-A26 WeakPolarHBondContact O-CB 3.02Å; E22-A26 PolarHBondContact O-N 3.2Å
23L76Confident73.4Confident105 Ų10593.1 Ų93.155%0.5552%0.52SS..Hα-helixtrans-64-43175.8-177.765.5000111.9A19 T20 M21 A26 I27A19-L23 WeakPolarHBondContact O-CB 3.36Å; A19-L23 PolarHBondContact O-N 2.94Å; T20-L23 PolarHBondContact O-N 3.43Å; M21-L23 VanDerWaalsContact C-N 3.3Å; M21-L23 PolarHBondContact O-N 3.11Å; L23-A26 PolarHBondContact O-N 2.96Å; L23-I27 HydrophobicContact CD1-CD1 4.18Å; L23-I27 HydrophobicContact CD1-CG1 4.42Å; L23-I27 HydrophobicContact CG-CD1 3.91Å; L23-I27 WeakPolarHBondContact O-CB 3.46Å; L23-I27 VanDerWaalsContact O-CG1 3.24Å; L23-I27 WeakPolarHBondContact O-CG1 3.47Å; L23-I27 PolarHBondContact O-N 2.75Å
24C79.8Confident75.5Confident65 Ų6595 Ų9544%0.43952%0.524SS..Hα-helixtrans-61.1-47175.7-73.90000111.3T20 M21 A26 I27 E28T20-C24 PolarHBondContact O-N 3.25Å; T20-C24 PolarHBondContact O-SG 3.25Å; M21-C24 PolarHBondContact O-N 3.46Å; C24-A26 PolarHBondContact O-N 3.36Å; C24-I27 PolarHBondContact O-N 2.78Å; C24-E28 WeakPolarHBondContact O-CG 3.45Å; C24-E28 PolarHBondContact O-N 3.11Å
25C78.6Confident77.6Confident60 Ų6091.6 Ų91.641%0.40551%0.509SS..Hα-helixtrans-58.4-45.4175.3-68.10000111.6M21 E22 I27 E28 E29M21-C25 PolarHBondContact O-N 2.96Å; M21-C25 PolarHBondContact O-SG 3.16Å; E22-C25 PolarHBondContact O-N 2.84Å; C25-I27 PolarHBondContact O-N 2.74Å; C25-E28 PolarHBondContact O-N 3.11Å; C25-E29 WeakPolarHBondContact O-CB 3.41Å; C25-E29 WeakPolarHBondContact O-CG 3.47Å; C25-E29 PolarHBondContact O-N 2.92Å
26A81.2Confident79.4Confident51 Ų5193.1 Ų93.142%0.42151%0.508SS..Hα-helixtrans-64.3-38.2178.200000112.7E22 L23 C24 M30E22-A26 WeakPolarHBondContact O-CB 3.02Å; E22-A26 PolarHBondContact O-N 3.2Å; L23-A26 PolarHBondContact O-N 2.96Å; C24-A26 PolarHBondContact O-N 3.36Å; A26-M30 VanDerWaalsContact O-CB 3.27Å; A26-M30 WeakPolarHBondContact O-CB 3.49Å; A26-M30 PolarHBondContact O-N 3.44Å
27I84.8Confident81Confident81 Ų8199.6 Ų99.642%0.41552%0.52SS..Hα-helixtrans-66.8-42.5175.1-70.2167.7000110.4L23 C24 C25 M30 T31L23-I27 HydrophobicContact CD1-CD1 4.18Å; L23-I27 HydrophobicContact CD1-CG1 4.42Å; L23-I27 HydrophobicContact CG-CD1 3.91Å; L23-I27 WeakPolarHBondContact O-CB 3.46Å; L23-I27 VanDerWaalsContact O-CG1 3.24Å; L23-I27 WeakPolarHBondContact O-CG1 3.47Å; L23-I27 PolarHBondContact O-N 2.75Å; C24-I27 PolarHBondContact O-N 2.78Å; C25-I27 PolarHBondContact O-N 2.74Å; I27-M30 PolarHBondContact O-N 3.44Å; I27-T31 VanDerWaalsContact O-CB 3.28Å; I27-T31 WeakPolarHBondContact O-CB 3.37Å; I27-T31 PolarHBondContact O-N 3Å; I27-T31 PolarHBondContact O-OG1 2.83Å
28E85.7Confident82.8Confident125 Ų125100.4 Ų100.458%0.58452%0.519SS*.Hα-helixtrans-62.9-46.1176.2-76-177.218000111.6C24 C25 M30 T31 N32C24-E28 WeakPolarHBondContact O-CG 3.45Å; C24-E28 PolarHBondContact O-N 3.11Å; C25-E28 PolarHBondContact O-N 3.11Å; E28-M30 PolarHBondContact O-N 2.84Å; E28-T31 PolarHBondContact O-N 2.9Å; E28-N32 WeakPolarHBondContact O-CB 3.34Å; E28-N32 VanDerWaalsContact O-CG 3.28Å; E28-N32 PolarHBondContact O-N 2.99Å; E28-N32 PolarHBondContact O-ND2 3.05Å
29E86.6Confident83.9Confident141 Ų14199.1 Ų99.166%0.65951%0.512SS*.Hα-helixtrans-60.3-45.5175.3-75.8-177.8-179.600112.1C25 T31 N32 S33C25-E29 WeakPolarHBondContact O-CB 3.41Å; C25-E29 WeakPolarHBondContact O-CG 3.47Å; C25-E29 PolarHBondContact O-N 2.92Å; E29-T31 VanDerWaalsContact C-N 3.32Å; E29-T31 PolarHBondContact O-N 3.22Å; E29-N32 PolarHBondContact O-N 2.77Å; E29-S33 VanDerWaalsContact O-CB 3.24Å; E29-S33 WeakPolarHBondContact O-CB 3.36Å; E29-S33 PolarHBondContact O-N 2.99Å
30M89Confident85Confident123 Ų123101 Ų10161%0.60652%0.517SS*.Hα-helixtrans-62.1-42176.3-178.2179.758.100111.1A26 I27 E28 S33 L34A26-M30 VanDerWaalsContact O-CB 3.27Å; A26-M30 WeakPolarHBondContact O-CB 3.49Å; A26-M30 PolarHBondContact O-N 3.44Å; I27-M30 PolarHBondContact O-N 3.44Å; E28-M30 PolarHBondContact O-N 2.84Å; M30-S33 PolarHBondContact O-N 2.99Å; M30-L34 WeakPolarHBondContact O-CB 3.46Å; M30-L34 PolarHBondContact O-N 3.09Å
31T86.6Confident86Confident68 Ų68101.8 Ų101.842%0.41752%0.522SS..Hα-helixtrans-65.8-46.7178.9-57.50000110.6I27 E28 E29 S33 L34 V35I27-T31 VanDerWaalsContact O-CB 3.28Å; I27-T31 WeakPolarHBondContact O-CB 3.37Å; I27-T31 PolarHBondContact O-N 3Å; I27-T31 PolarHBondContact O-OG1 2.83Å; E28-T31 PolarHBondContact O-N 2.9Å; E29-T31 VanDerWaalsContact C-N 3.32Å; E29-T31 PolarHBondContact O-N 3.22Å; T31-S33 VanDerWaalsContact C-N 3.33Å; T31-S33 PolarHBondContact O-N 2.7Å; T31-L34 WeakPolarHBondContact O-CB 3.47Å; T31-L34 PolarHBondContact O-N 3.49Å; T31-V35 HydrophobicContact CG2-CG2 4.45Å; T31-V35 VanDerWaalsContact O-CG2 3.29Å; T31-V35 WeakPolarHBondContact O-CG2 3.44Å; T31-V35 PolarHBondContact O-N 2.75Å
32N88.7Confident86.8Confident89 Ų89100 Ų10048%0.47651%0.514SS..Hα-helixtrans-61.2-40.9176-75.2-32.1000111.8E28 E29 V35 R36E28-N32 WeakPolarHBondContact O-CB 3.34Å; E28-N32 VanDerWaalsContact O-CG 3.28Å; E28-N32 PolarHBondContact O-N 2.99Å; E28-N32 PolarHBondContact O-ND2 3.05Å; E29-N32 PolarHBondContact O-N 2.77Å; N32-V35 PolarHBondContact O-N 2.77Å; N32-R36 WeakPolarHBondContact O-CB 3.32Å; N32-R36 WeakPolarHBondContact O-CG 3.18Å; N32-R36 PolarHBondContact O-N 3.12Å
33S90.4Very high87.6Confident48 Ų4899 Ų9934%0.33651%0.51SS..Hα-helixtrans-63-43.4174.2-175.70000111.9E29 M30 T31 R36 R37E29-S33 VanDerWaalsContact O-CB 3.24Å; E29-S33 WeakPolarHBondContact O-CB 3.36Å; E29-S33 PolarHBondContact O-N 2.99Å; M30-S33 PolarHBondContact O-N 2.99Å; T31-S33 VanDerWaalsContact C-N 3.33Å; T31-S33 PolarHBondContact O-N 2.7Å; S33-R36 PolarHBondContact O-N 3.44Å; S33-R37 WeakPolarHBondContact O-CG 3.43Å; S33-R37 PolarHBondContact O-N 2.69Å
34L90.3Very high88.4Confident119 Ų119100.7 Ų100.762%0.62351%0.512SS*.Hα-helixtrans-64.4-45.7177.1-16595.9000111.5M30 T31 R37 F38M30-L34 WeakPolarHBondContact O-CB 3.46Å; M30-L34 PolarHBondContact O-N 3.09Å; T31-L34 WeakPolarHBondContact O-CB 3.47Å; T31-L34 PolarHBondContact O-N 3.49Å; L34-R37 PolarHBondContact O-N 3.07Å; L34-F38 WeakPolarHBondContact O-CB 3.49Å; L34-F38 PolarHBondContact O-N 3.45Å
35V91.3Very high88.9Confident67 Ų67102.2 Ų102.241%0.40652%0.516SS..Hα-helixtrans-61-45.5177.8170.60000110.5T31 N32 R37 F38 N39T31-V35 HydrophobicContact CG2-CG2 4.45Å; T31-V35 VanDerWaalsContact O-CG2 3.29Å; T31-V35 WeakPolarHBondContact O-CG2 3.44Å; T31-V35 PolarHBondContact O-N 2.75Å; N32-V35 PolarHBondContact O-N 2.77Å; V35-R37 PolarHBondContact O-N 2.97Å; V35-F38 PolarHBondContact O-N 3.04Å; V35-N39 WeakPolarHBondContact O-CB 3.49Å; V35-N39 VanDerWaalsContact O-CG 3.27Å; V35-N39 PolarHBondContact O-N 3.04Å; V35-N39 PolarHBondContact O-ND2 3.18Å
36R89.5Confident89.6Confident186 Ų186105 Ų10570%0.70252%0.523SS*.Hα-helixtrans-58.2-46.6174.7-77177.7-178.7155.10.4111.9N32 S33 F38 N39 V40N32-R36 WeakPolarHBondContact O-CB 3.32Å; N32-R36 WeakPolarHBondContact O-CG 3.18Å; N32-R36 PolarHBondContact O-N 3.12Å; S33-R36 PolarHBondContact O-N 3.44Å; R36-F38 VanDerWaalsContact C-N 3.33Å; R36-F38 PolarHBondContact O-N 3.43Å; R36-N39 PolarHBondContact O-N 3.48Å; R36-V40 WeakPolarHBondContact O-CG2 3.44Å; R36-V40 PolarHBondContact O-N 2.95Å; R36-V40 VanDerWaalsContact O-N 3.13Å
37R90.6Very high90.1Very high180 Ų180108.5 Ų108.568%0.67953%0.53SS*.Hα-helixtrans-62.3-40.9176.9-72.1176.7-174.2-170.42112.1S33 L34 V35 V40 V41S33-R37 WeakPolarHBondContact O-CG 3.43Å; S33-R37 PolarHBondContact O-N 2.69Å; L34-R37 PolarHBondContact O-N 3.07Å; V35-R37 PolarHBondContact O-N 2.97Å; R37-V40 PolarHBondContact O-N 2.71Å; R37-V41 WeakPolarHBondContact O-CG2 3.45Å; R37-V41 PolarHBondContact O-N 3.2Å
38F93.3Very high90.5Very high127 Ų127113.2 Ų113.256%0.55754%0.543SS*.Hα-helixtrans-65.7-41.4178.5-171-107.8000111.8L34 V35 R36 V40 V41 L42L34-F38 WeakPolarHBondContact O-CB 3.49Å; L34-F38 PolarHBondContact O-N 3.45Å; V35-F38 PolarHBondContact O-N 3.04Å; R36-F38 VanDerWaalsContact C-N 3.33Å; R36-F38 PolarHBondContact O-N 3.43Å; F38-V40 PolarHBondContact O-N 3.1Å; F38-V41 PolarHBondContact O-N 3.05Å; F38-V41 VanDerWaalsContact O-N 3.16Å; F38-L42 HydrophobicContact CD1-CD1 3.59Å; F38-L42 HydrophobicContact CD1-CG 4.05Å; F38-L42 HydrophobicContact CE1-CD1 3.32Å; F38-L42 HydrophobicContact CE1-CD2 4.23Å; F38-L42 HydrophobicContact CE1-CG 3.77Å; F38-L42 HydrophobicContact CZ-CD1 4.12Å; F38-L42 HydrophobicContact CZ-CD2 4.2Å; F38-L42 HydrophobicContact CZ-CG 4.11Å; F38-L42 PolarHBondContact O-N 3.42Å
39N92.6Very high90.7Very high78 Ų78112.5 Ų112.542%0.41754%0.542SS..Hα-helixtrans-61.2-43.1176.3-71.4-15.7000111.9V35 R36 V41 L42 E43V35-N39 WeakPolarHBondContact O-CB 3.49Å; V35-N39 VanDerWaalsContact O-CG 3.27Å; V35-N39 PolarHBondContact O-N 3.04Å; V35-N39 PolarHBondContact O-ND2 3.18Å; R36-N39 PolarHBondContact O-N 3.48Å; N39-V41 VanDerWaalsContact C-N 3.29Å; N39-V41 PolarHBondContact O-N 3.27Å; N39-L42 PolarHBondContact O-N 3.04Å; N39-E43 WeakPolarHBondContact O-CG 3.49Å; N39-E43 PolarHBondContact O-N 3.5Å
40V91.9Very high90.9Very high93 Ų93111 Ų11156%0.56454%0.535SS*.Hα-helixtrans-60-40174.8173.30000111.8R36 R37 F38 K44R36-V40 WeakPolarHBondContact O-CG2 3.44Å; R36-V40 PolarHBondContact O-N 2.95Å; R36-V40 VanDerWaalsContact O-N 3.13Å; R37-V40 PolarHBondContact O-N 2.71Å; F38-V40 PolarHBondContact O-N 3.1Å; V40-K44 WeakPolarHBondContact O-CB 3.39Å; V40-K44 PolarHBondContact O-N 2.86Å; V40-K44 VanDerWaalsContact O-N 3.12Å
41V91.4Very high90.9Very high90 Ų90108.7 Ų108.755%0.54553%0.528SS..Hα-helixtrans-68-42176.9173.90000111.1R37 F38 N39 K44 L45R37-V41 WeakPolarHBondContact O-CG2 3.45Å; R37-V41 PolarHBondContact O-N 3.2Å; F38-V41 PolarHBondContact O-N 3.05Å; F38-V41 VanDerWaalsContact O-N 3.16Å; N39-V41 VanDerWaalsContact C-N 3.29Å; N39-V41 PolarHBondContact O-N 3.27Å; V41-K44 PolarHBondContact O-N 3.31Å; V41-L45 WeakPolarHBondContact O-CB 3.47Å; V41-L45 PolarHBondContact O-N 2.82Å
42L90Very high91Very high69 Ų69109.9 Ų109.936%0.36153%0.531SS..Hα-helixtrans-62.3-47.2177.1-79.7177.4000112F38 N39 K44 L45 Q46F38-L42 HydrophobicContact CD1-CD1 3.59Å; F38-L42 HydrophobicContact CD1-CG 4.05Å; F38-L42 HydrophobicContact CE1-CD1 3.32Å; F38-L42 HydrophobicContact CE1-CD2 4.23Å; F38-L42 HydrophobicContact CE1-CG 3.77Å; F38-L42 HydrophobicContact CZ-CD1 4.12Å; F38-L42 HydrophobicContact CZ-CD2 4.2Å; F38-L42 HydrophobicContact CZ-CG 4.11Å; F38-L42 PolarHBondContact O-N 3.42Å; N39-L42 PolarHBondContact O-N 3.04Å; L42-K44 VanDerWaalsContact C-N 3.33Å; L42-K44 PolarHBondContact O-N 3.36Å; L42-L45 WeakPolarHBondContact O-CB 3.36Å; L42-L45 PolarHBondContact O-N 2.99Å; L42-L45 VanDerWaalsContact O-N 3.12Å; L42-Q46 WeakPolarHBondContact O-CG 3.24Å; L42-Q46 PolarHBondContact O-N 3.22Å
43E92.5Very high91Very high115 Ų115106.9 Ų106.954%0.53752%0.521SS..Hα-helixtrans-59.4-45176.9-75.7-178.5172.900111.3N39 L45 Q46 Q47N39-E43 WeakPolarHBondContact O-CG 3.49Å; N39-E43 PolarHBondContact O-N 3.5Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 2.94Å; E43-Q46 PolarHBondContact O-N 3.04Å; E43-Q47 WeakPolarHBondContact O-CG 3.42Å; E43-Q47 PolarHBondContact O-N 3.35Å
44K91.8Very high90.8Very high139 Ų139112.1 Ų112.160%0.60453%0.534SS*.Hα-helixtrans-63.1-34.8176.8-169171.8-173.1170.40112.3V40 V41 L42 R48V40-K44 WeakPolarHBondContact O-CB 3.39Å; V40-K44 PolarHBondContact O-N 2.86Å; V40-K44 VanDerWaalsContact O-N 3.12Å; V41-K44 PolarHBondContact O-N 3.31Å; L42-K44 VanDerWaalsContact C-N 3.33Å; L42-K44 PolarHBondContact O-N 3.36Å; K44-R48 WeakPolarHBondContact O-CG 3.36Å; K44-R48 PolarHBondContact O-N 2.58Å
45L90.8Very high90.8Very high98 Ų98114.6 Ų114.651%0.51354%0.535SS..Hα-helixtrans-71-42.8176.5-161.1114.7000111.1V41 L42 E43 R48 L49V41-L45 WeakPolarHBondContact O-CB 3.47Å; V41-L45 PolarHBondContact O-N 2.82Å; L42-L45 WeakPolarHBondContact O-CB 3.36Å; L42-L45 PolarHBondContact O-N 2.99Å; L42-L45 VanDerWaalsContact O-N 3.12Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 2.94Å; L45-R48 PolarHBondContact O-N 3.13Å; L45-L49 HydrophobicContact CD2-CD1 3.65Å; L45-L49 HydrophobicContact CG-CD1 4.22Å; L45-L49 PolarHBondContact O-N 2.71Å
46Q92.4Very high90.6Very high119 Ų119115.9 Ų115.956%0.55654%0.539SS*.Hα-helixtrans-59.3-48.4174.6-77.1177.1-19.600111.5L42 E43 R48 L49 E50L42-Q46 WeakPolarHBondContact O-CG 3.24Å; L42-Q46 PolarHBondContact O-N 3.22Å; E43-Q46 PolarHBondContact O-N 3.04Å; Q46-R48 VanDerWaalsContact C-N 3.28Å; Q46-R48 PolarHBondContact O-N 2.9Å; Q46-L49 WeakPolarHBondContact O-CB 3.46Å; Q46-L49 PolarHBondContact O-N 2.83Å; Q46-L49 VanDerWaalsContact O-N 3.11Å; Q46-E50 PolarHBondContact O-N 2.86Å
47Q91.8Very high90.4Very high123 Ų123111.3 Ų111.358%0.57553%0.528SS*.Hα-helixtrans-57.5-39.9176.2-73.2176.4-1.300112.5E43 T51E43-Q47 WeakPolarHBondContact O-CG 3.42Å; E43-Q47 PolarHBondContact O-N 3.35Å; Q47-T51 WeakPolarHBondContact O-CB 3.43Å; Q47-T51 PolarHBondContact O-N 3.26Å; Q47-T51 PolarHBondContact O-OG1 3.47Å
48R92.9Very high90Very high180 Ų180104.7 Ų104.768%0.67951%0.512SS*.Hα-helixtrans-66.9-42.7176.2-81.5-174.6145.1-163.4-5.7112.3K44 L45 Q46 T51 I52K44-R48 WeakPolarHBondContact O-CG 3.36Å; K44-R48 PolarHBondContact O-N 2.58Å; L45-R48 PolarHBondContact O-N 3.13Å; Q46-R48 VanDerWaalsContact C-N 3.28Å; Q46-R48 PolarHBondContact O-N 2.9Å; R48-T51 PolarHBondContact O-N 2.95Å; R48-I52 VanDerWaalsContact O-CG1 3.3Å; R48-I52 WeakPolarHBondContact O-CG1 3.37Å; R48-I52 PolarHBondContact O-N 3.02Å
49L90.2Very high89.1Confident110 Ų110103.8 Ų103.858%0.57651%0.512SS*.Hα-helixtrans-61.9-44.1176-96.6140.3000111.5L45 Q46 T51 I52 G53L45-L49 HydrophobicContact CD2-CD1 3.65Å; L45-L49 HydrophobicContact CG-CD1 4.22Å; L45-L49 PolarHBondContact O-N 2.71Å; Q46-L49 WeakPolarHBondContact O-CB 3.46Å; Q46-L49 PolarHBondContact O-N 2.83Å; Q46-L49 VanDerWaalsContact O-N 3.11Å; L49-T51 VanDerWaalsContact C-N 3.34Å; L49-T51 PolarHBondContact O-N 2.87Å; L49-I52 PolarHBondContact O-N 3.41Å; L49-G53 PolarHBondContact O-N 2.94Å
50E90.5Very high88.5Confident110 Ų110106 Ų10651%0.51452%0.52SS..Hα-helixtrans-61.6-41.9174.4-74.7-177.6-170.800112.6Q46 I52 G53 R54Q46-E50 PolarHBondContact O-N 2.86Å; E50-I52 VanDerWaalsContact C-N 3.29Å; E50-I52 PolarHBondContact O-N 3.14Å; E50-G53 PolarHBondContact O-N 3.01Å; E50-R54 WeakPolarHBondContact O-CG 3.26Å; E50-R54 PolarHBondContact O-N 2.92Å; E50-R54 IonicContact OE2-NH2 2.86Å; E50-R54 PolarHBondContact OE2-NH2 3.36Å
51T89.2Confident87.9Confident75 Ų75105.9 Ų105.946%0.4652%0.516SS..Hα-helixtrans-62.5-40.1177.4-55.40000110.9Q47 R48 L49 R55Q47-T51 WeakPolarHBondContact O-CB 3.43Å; Q47-T51 PolarHBondContact O-N 3.26Å; Q47-T51 PolarHBondContact O-OG1 3.47Å; R48-T51 PolarHBondContact O-N 2.95Å; L49-T51 VanDerWaalsContact C-N 3.34Å; L49-T51 PolarHBondContact O-N 2.87Å; T51-R55 VanDerWaalsContact O-CG 3.32Å; T51-R55 WeakPolarHBondContact O-CG 3Å; T51-R55 PolarHBondContact O-N 3.1Å; T51-R55 VanDerWaalsContact O-N 3.17Å
52I89.8Confident87.1Confident93 Ų93107.2 Ų107.248%0.47752%0.516SS..Hα-helixtrans-67.8-44.2175.8-68.1165.5000110.5R48 L49 E50 R54 R55 I56R48-I52 VanDerWaalsContact O-CG1 3.3Å; R48-I52 WeakPolarHBondContact O-CG1 3.37Å; R48-I52 PolarHBondContact O-N 3.02Å; L49-I52 PolarHBondContact O-N 3.41Å; E50-I52 VanDerWaalsContact C-N 3.29Å; E50-I52 PolarHBondContact O-N 3.14Å; I52-R54 PolarHBondContact O-N 2.92Å; I52-R55 WeakPolarHBondContact O-CB 3.23Å; I52-R55 PolarHBondContact O-N 3.47Å; I52-R55 VanDerWaalsContact O-N 3.14Å; I52-I56 HydrophobicContact CG2-CD1 3.81Å; I52-I56 HydrophobicContact CG2-CG1 4.38Å; I52-I56 WeakPolarHBondContact O-CG1 3.49Å; I52-I56 PolarHBondContact O-N 2.88Å
53G88.5Confident85.9Confident26 Ų26109.5 Ų109.527%0.26853%0.528SS..Hα-helixtrans-53.9-52.8175.300000111.6L49 E50 R55 I56 D57L49-G53 PolarHBondContact O-N 2.94Å; E50-G53 PolarHBondContact O-N 3.01Å; G53-R55 VanDerWaalsContact C-N 3.27Å; G53-R55 PolarHBondContact O-N 3.18Å; G53-I56 WeakPolarHBondContact O-CA 3.45Å; G53-I56 WeakPolarHBondContact O-CB 3.03Å; G53-I56 PolarHBondContact O-N 3.33Å; G53-D57 VanDerWaalsContact O-CG 3.28Å; G53-D57 PolarHBondContact O-N 2.75Å
54R86.5Confident84.9Confident158 Ų158108.2 Ų108.260%0.59653%0.532SS*.Hα-helixtrans-58.2-36.2176.9-71.2-175.9-118.4179.6-5.1113.4E50 I52 A58E50-R54 WeakPolarHBondContact O-CG 3.26Å; E50-R54 PolarHBondContact O-N 2.92Å; E50-R54 IonicContact OE2-NH2 2.86Å; E50-R54 PolarHBondContact OE2-NH2 3.36Å; I52-R54 PolarHBondContact O-N 2.92Å; R54-A58 WeakPolarHBondContact O-CB 3.24Å; R54-A58 PolarHBondContact O-N 3.16Å
55R88.8Confident83.7Confident171 Ų171108.4 Ų108.465%0.64554%0.535SS*.Hα-helixtrans-69.6-36.6175.9-74.4175.967.4-171.81.4112T51 I52 G53 L59T51-R55 VanDerWaalsContact O-CG 3.32Å; T51-R55 WeakPolarHBondContact O-CG 3Å; T51-R55 PolarHBondContact O-N 3.1Å; T51-R55 VanDerWaalsContact O-N 3.17Å; I52-R55 WeakPolarHBondContact O-CB 3.23Å; I52-R55 PolarHBondContact O-N 3.47Å; I52-R55 VanDerWaalsContact O-N 3.14Å; G53-R55 VanDerWaalsContact C-N 3.27Å; G53-R55 PolarHBondContact O-N 3.18Å; R55-L59 WeakPolarHBondContact O-CB 3.5Å; R55-L59 VanDerWaalsContact O-CG 3.28Å; R55-L59 WeakPolarHBondContact O-CG 3.5Å; R55-L59 PolarHBondContact O-N 2.86Å
56I88.4Confident82Confident94 Ų94109 Ų10948%0.48254%0.538SS..Hα-helixtrans-66.8-46.4175.3-68.1168.3000109.5I52 G53 A58 L59 E60I52-I56 HydrophobicContact CG2-CD1 3.81Å; I52-I56 HydrophobicContact CG2-CG1 4.38Å; I52-I56 WeakPolarHBondContact O-CG1 3.49Å; I52-I56 PolarHBondContact O-N 2.88Å; G53-I56 WeakPolarHBondContact O-CA 3.45Å; G53-I56 WeakPolarHBondContact O-CB 3.03Å; G53-I56 PolarHBondContact O-N 3.33Å; I56-A58 VanDerWaalsContact C-N 3.3Å; I56-A58 PolarHBondContact O-N 2.95Å; I56-L59 CarbonylContact O-C 3.59Å; I56-L59 WeakPolarHBondContact O-CB 3.48Å; I56-L59 PolarHBondContact O-N 2.93Å; I56-E60 PolarHBondContact O-N 2.68Å
57D85.4Confident80.1Confident90 Ų90107.7 Ų107.748%0.48154%0.54SS..Hα-helixtrans-60.6-41.3177-58.8-25.6000111.4G53 E60 N61G53-D57 VanDerWaalsContact O-CG 3.28Å; G53-D57 PolarHBondContact O-N 2.75Å; D57-E60 PolarHBondContact O-N 3.13Å; D57-N61 WeakPolarHBondContact O-CB 3.19Å; D57-N61 VanDerWaalsContact O-CG 3.31Å; D57-N61 PolarHBondContact O-N 3.11Å; D57-N61 PolarHBondContact O-ND2 2.83Å
58A80.9Confident78.1Confident41 Ų41107.2 Ų107.234%0.33955%0.55SS..Hα-helixtrans-61.9-44.4173.700000111.4R54 I56 N61 H62R54-A58 WeakPolarHBondContact O-CB 3.24Å; R54-A58 PolarHBondContact O-N 3.16Å; I56-A58 VanDerWaalsContact C-N 3.3Å; I56-A58 PolarHBondContact O-N 2.95Å; A58-N61 PolarHBondContact O-N 2.83Å; A58-H62 PolarHBondContact O-N 2.89Å; A58-H62 PolarHBondContact O-ND1 3.18Å
59L75.4Confident75.7Confident107 Ų107106.9 Ų106.956%0.5655%0.549SS*.Hα-helixtrans-63.6-41.1176.8-76.3168.7000111.9R55 I56 N61 H62 L63R55-L59 WeakPolarHBondContact O-CB 3.5Å; R55-L59 VanDerWaalsContact O-CG 3.28Å; R55-L59 WeakPolarHBondContact O-CG 3.5Å; R55-L59 PolarHBondContact O-N 2.86Å; I56-L59 CarbonylContact O-C 3.59Å; I56-L59 WeakPolarHBondContact O-CB 3.48Å; I56-L59 PolarHBondContact O-N 2.93Å; L59-N61 VanDerWaalsContact C-N 3.33Å; L59-H62 PolarHBondContact O-N 3.44Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 VanDerWaalsContact O-CG 3.26Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 3.22Å
60E80.3Confident73.6Confident124 Ų124106.4 Ų106.458%0.57956%0.555SS**Hα-helixtrans-63-41.1175.8-172.6170.2-175.600111.3I56 D57 L63 S64I56-E60 PolarHBondContact O-N 2.68Å; D57-E60 PolarHBondContact O-N 3.13Å; E60-L63 PolarHBondContact O-N 2.81Å; E60-S64 PolarHBondContact O-N 3.1Å; E60-S64 PolarHBondContact O-OG 3.01Å
61N79.2Confident71Confident92 Ų92108.4 Ų108.449%0.49257%0.569SS.*Hα-helixtrans-64.4-39.6173.2-75.1-29.6000112.8D57 A58 L59 L63 S64 Q65D57-N61 WeakPolarHBondContact O-CB 3.19Å; D57-N61 VanDerWaalsContact O-CG 3.31Å; D57-N61 PolarHBondContact O-N 3.11Å; D57-N61 PolarHBondContact O-ND2 2.83Å; A58-N61 PolarHBondContact O-N 2.83Å; L59-N61 VanDerWaalsContact C-N 3.33Å; N61-L63 VanDerWaalsContact C-N 3.32Å; N61-S64 WeakPolarHBondContact CA-OG 3.41Å; N61-S64 PolarHBondContact O-N 3.45Å; N61-S64 PolarHBondContact O-OG 2.86Å; N61-Q65 WeakPolarHBondContact O-CB 3.49Å; N61-Q65 VanDerWaalsContact O-CG 3.23Å; N61-Q65 WeakPolarHBondContact O-CG 3.28Å; N61-Q65 PolarHBondContact O-N 3.01Å
62H73.9Confident68.4Low118 Ų118110.7 Ų110.755%0.54658%0.575SS.*Hα-helixtrans-66.3-37.6173.4-69.2108.3000111.5A58 L59 Q65 L66A58-H62 PolarHBondContact O-N 2.89Å; A58-H62 PolarHBondContact O-ND1 3.18Å; L59-H62 PolarHBondContact O-N 3.44Å; H62-Q65 PolarHBondContact O-N 3.27Å; H62-L66 WeakPolarHBondContact O-CG 3.34Å; H62-L66 PolarHBondContact O-N 3.35Å
63L65.3Low65.7Low117 Ų117110.4 Ų110.461%0.61359%0.586SS**Hα-helixtrans-68.4-35.1176.9-73.3170.7000112.3L59 E60 N61 L66L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 VanDerWaalsContact O-CG 3.26Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 3.22Å; E60-L63 PolarHBondContact O-N 2.81Å; N61-L63 VanDerWaalsContact C-N 3.32Å; L63-L66 HydrophobicContact CD2-CD1 3.72Å; L63-L66 WeakPolarHBondContact O-CB 3.41Å; L63-L66 PolarHBondContact O-N 3.4Å
64S71.2Confident62.9Low88 Ų88113.9 Ų113.962%0.61560%0.602SS**Hα-helixtrans-75.9-28.3175.465.60000112.7E60 N61E60-S64 PolarHBondContact O-N 3.1Å; E60-S64 PolarHBondContact O-OG 3.01Å; N61-S64 WeakPolarHBondContact CA-OG 3.41Å; N61-S64 PolarHBondContact O-N 3.45Å; N61-S64 PolarHBondContact O-OG 2.86Å
65Q67.4Low60.2Low143 Ų143111.9 Ų111.967%0.66861%0.607SS**Hα-helixtrans-77.9-17171.4-73177.224.600113.6N61 H62 P67N61-Q65 WeakPolarHBondContact O-CB 3.49Å; N61-Q65 VanDerWaalsContact O-CG 3.23Å; N61-Q65 WeakPolarHBondContact O-CG 3.28Å; N61-Q65 PolarHBondContact O-N 3.01Å; H62-Q65 PolarHBondContact O-N 3.27Å; Q65-P67 VanDerWaalsContact O-CD 3.24Å; Q65-P67 WeakPolarHBondContact O-CD 3.25Å
66L55Low57.5Low109 Ų109110.9 Ų110.957%0.57161%0.614SS**SBendtrans-58.2117.5172.5-80.8166.9000107.4H62 L63 S68H62-L66 WeakPolarHBondContact O-CG 3.34Å; H62-L66 PolarHBondContact O-N 3.35Å; L63-L66 HydrophobicContact CD2-CD1 3.72Å; L63-L66 WeakPolarHBondContact O-CB 3.41Å; L63-L66 PolarHBondContact O-N 3.4Å; L66-S68 PolarHBondContact O-N 2.96Å; L66-S68 VanDerWaalsContact O-N 3.1Å
67P50.8Low54.9Low93 Ų93110.9 Ų110.960%0.60462%0.622SS**  trans-58.8126.8176.723.3-30.6000106.7Q65 R69Q65-P67 VanDerWaalsContact O-CD 3.24Å; Q65-P67 WeakPolarHBondContact O-CD 3.25Å; P67-R69 HydrophobicContact CB-CG 4.21Å; P67-R69 HydrophobicContact CG-CG 4.33Å; P67-R69 PolarHBondContact O-N 3.1Å
68S49.8Very low52Low112 Ų112114.1 Ų114.178%0.78363%0.634SS**  trans-66.864170.327.50000109.2L66 S70L66-S68 PolarHBondContact O-N 2.96Å; L66-S68 VanDerWaalsContact O-N 3.1Å; S68-S70 PolarHBondContact O-N 2.91Å
69R42.9Very low49.7Very low173 Ų173118.1 Ų118.165%0.65366%0.657SS**G310 helixtrans-68.922.4170.2-83.1-169.1168.1178.2-1.2111.7P67 N71 E72P67-R69 HydrophobicContact CB-CG 4.21Å; P67-R69 HydrophobicContact CG-CG 4.33Å; P67-R69 PolarHBondContact O-N 3.1Å; R69-N71 PolarHBondContact O-N 2.8Å; R69-N71 VanDerWaalsContact O-N 3.1Å; R69-E72 IonicContact CZ-OE2 3.87Å; R69-E72 IonicContact NE-OE2 2.78Å; R69-E72 PolarHBondContact NE-OE2 2.75Å; R69-E72 PolarHBondContact O-N 3.01Å
70S46.6Very low47.6Very low101 Ų101120.6 Ų120.671%0.70667%0.665SS**G310 helixtrans-63.1-14.5174.757.40000112.7S68S68-S70 PolarHBondContact O-N 2.91Å
71N35.5Very low45.6Very low151 Ų151120.9 Ų120.981%0.80767%0.67SS**G310 helixtrans-109.1-7-180-71.9-8.6000115.4R69 A73R69-N71 PolarHBondContact O-N 2.8Å; R69-N71 VanDerWaalsContact O-N 3.1Å; N71-A73 PolarHBondContact O-N 2.89Å; N71-A73 VanDerWaalsContact O-N 3.07Å
72E34Very low43.4Very low124 Ų124121 Ų12158%0.57968%0.676SS**  trans-82.686162-89.2-178157.400106.9R69 V74R69-E72 IonicContact CZ-OE2 3.87Å; R69-E72 IonicContact NE-OE2 2.78Å; R69-E72 PolarHBondContact NE-OE2 2.75Å; R69-E72 PolarHBondContact O-N 3.01Å; E72-V74 HydrophobicContact CB-CG2 4.47Å; E72-V74 PolarHBondContact O-N 2.78Å
73A33.8Very low41.7Very low87 Ų87118.9 Ų118.972%0.71967%0.673SS**  trans-56.585.8151.900000106.3N71 T75N71-A73 PolarHBondContact O-N 2.89Å; N71-A73 VanDerWaalsContact O-N 3.07Å; A73-T75 PolarHBondContact O-N 2.78Å
74V30.9Very low40.3Very low99 Ų99123 Ų12360%0.668%0.681SS**  trans-6092162.6179.90000103.2E72 L76E72-V74 HydrophobicContact CB-CG2 4.47Å; E72-V74 PolarHBondContact O-N 2.78Å; V74-L76 HydrophobicContact CG1-CD2 3.96Å; V74-L76 HydrophobicContact CG1-CG 4.09Å; V74-L76 PolarHBondContact O-N 3.11Å
75T28.4Very low38.7Very low115 Ų115124.3 Ų124.371%0.70668%0.675SS**  trans-59.194162.242.70000104A73 S77A73-T75 PolarHBondContact O-N 2.78Å; T75-S77 PolarHBondContact O-N 2.89Å
76L33Very low37.4Very low150 Ų150120.6 Ų120.679%0.78566%0.662SS**  trans-66.567.3168-71.3165.6000106.8V74 H78V74-L76 HydrophobicContact CG1-CD2 3.96Å; V74-L76 HydrophobicContact CG1-CG 4.09Å; V74-L76 PolarHBondContact O-N 3.11Å; L76-H78 PolarHBondContact O-N 3.02Å
77S32.6Very low36.7Very low95 Ų95118.7 Ų118.766%0.66466%0.655SS**  trans-83.713.4169.358.30000111.3T75 P79T75-S77 PolarHBondContact O-N 2.89Å; S77-P79 WeakPolarHBondContact O-CD 3.31Å
78H24.1Very low36Very low158 Ų158117 Ų11773%0.73164%0.641SS**  trans-95.5103.4162.2-88.7-54.4000109L76 E80L76-H78 PolarHBondContact O-N 3.02Å; H78-E80 PolarHBondContact O-N 3.23Å
79P33Very low35.4Very low124 Ų124114.3 Ų114.381%0.80562%0.618SS**  trans-721176.928.9-34.2000113.5S77S77-P79 WeakPolarHBondContact O-CD 3.31Å
80E33Very low35.4Very low159 Ų159112.6 Ų112.674%0.74362%0.621SS**SBendtrans-99.7114.4179.9-67.2-174.1172.900109.7H78H78-E80 PolarHBondContact O-N 3.23Å
81I37.7Very low35Very low131 Ų131118.5 Ų118.567%0.67263%0.628SS**  trans80.979170.8-42.7153000112.9P83I81-P83 WeakPolarHBondContact O-CD 3.19Å; I81-P83 VanDerWaalsContact O-N 3.09Å
82C32.9Very low35.2Very low93 Ų93112.3 Ų112.363%0.62860%0.598SS**  trans-59.3107152.3-810000107.6W84 K85C82-W84 PolarHBondContact O-N 3Å; C82-W84 VanDerWaalsContact O-N 3.11Å; C82-K85 HydrophobicContact CB-CB 4.06Å; C82-K85 WeakPolarHBondContact O-CB 3.32Å; C82-K85 PolarHBondContact O-N 3.05Å
83P37.7Very low35.5Very low74 Ų74111.1 Ų111.148%0.48160%0.601SS.*Hα-helixtrans-62.3-28.6-174.3-19.632.2000111.2I81 K85 T86 T87I81-P83 WeakPolarHBondContact O-CD 3.19Å; I81-P83 VanDerWaalsContact O-N 3.09Å; P83-K85 VanDerWaalsContact C-N 3.29Å; P83-K85 PolarHBondContact O-N 3.33Å; P83-T86 PolarHBondContact O-N 2.78Å; P83-T86 PolarHBondContact O-OG1 3.45Å; P83-T87 WeakPolarHBondContact O-CB 3.37Å; P83-T87 PolarHBondContact O-N 3.07Å; P83-T87 PolarHBondContact O-OG1 3.45Å
84W36Very low35.9Very low205 Ų205111.8 Ų111.878%0.77760%0.6SS**Hα-helixtrans-68-33.4-178.6-61.160.2000111.5C82 T87 I88C82-W84 PolarHBondContact O-N 3Å; C82-W84 VanDerWaalsContact O-N 3.11Å; W84-T87 PolarHBondContact O-N 3.27Å; W84-I88 WeakPolarHBondContact O-CB 3.44Å; W84-I88 WeakPolarHBondContact O-CD1 3.48Å; W84-I88 WeakPolarHBondContact O-CG1 3.48Å; W84-I88 PolarHBondContact O-N 3.31Å
85K36.9Very low36.1Very low115 Ų115111.2 Ų111.250%0.559%0.592SS.*Hα-helixtrans-66.3-52.4177.1-160174.3-177179.70109.7C82 P83 T87 I88 D89C82-K85 HydrophobicContact CB-CB 4.06Å; C82-K85 WeakPolarHBondContact O-CB 3.32Å; C82-K85 PolarHBondContact O-N 3.05Å; P83-K85 VanDerWaalsContact C-N 3.29Å; P83-K85 PolarHBondContact O-N 3.33Å; K85-T87 VanDerWaalsContact C-N 3.32Å; K85-T87 PolarHBondContact O-N 3Å; K85-I88 PolarHBondContact O-N 3.15Å; K85-D89 WeakPolarHBondContact O-CB 3.32Å; K85-D89 PolarHBondContact O-N 3.4Å; K85-D89 VanDerWaalsContact O-OD2 3.06Å
86T39.7Very low36.7Very low64 Ų64110.5 Ų110.539%0.39358%0.579SS.*Hα-helixtrans-63.4-34.4175.638.30000113.6P83 D89 N90P83-T86 PolarHBondContact O-N 2.78Å; P83-T86 PolarHBondContact O-OG1 3.45Å; T86-D89 PolarHBondContact O-N 3.12Å; T86-N90 WeakPolarHBondContact O-CB 3.42Å; T86-N90 PolarHBondContact O-N 3.16Å
87T40.4Very low37.2Very low69 Ų69108.9 Ų108.942%0.42358%0.578SS.*Hα-helixtrans-69.4-41.8178.5-47.40000111.2P83 W84 K85 N90 W91P83-T87 WeakPolarHBondContact O-CB 3.37Å; P83-T87 PolarHBondContact O-N 3.07Å; P83-T87 PolarHBondContact O-OG1 3.45Å; W84-T87 PolarHBondContact O-N 3.27Å; K85-T87 VanDerWaalsContact C-N 3.32Å; K85-T87 PolarHBondContact O-N 3Å; T87-N90 PolarHBondContact O-N 2.82Å; T87-W91 WeakPolarHBondContact O-CB 3.3Å; T87-W91 VanDerWaalsContact O-CD1 3.25Å; T87-W91 PolarHBondContact O-N 3.45Å
88I38Very low37.5Very low58 Ų58110 Ų11030%0.29758%0.576SS.*Hα-helixtrans-68-41.8174.9-67.5167.5000110.5W84 K85 N90 W91 A92 L99 F101W84-I88 WeakPolarHBondContact O-CB 3.44Å; W84-I88 WeakPolarHBondContact O-CD1 3.48Å; W84-I88 WeakPolarHBondContact O-CG1 3.48Å; W84-I88 PolarHBondContact O-N 3.31Å; K85-I88 PolarHBondContact O-N 3.15Å; I88-N90 PolarHBondContact O-N 3.03Å; I88-W91 PolarHBondContact O-N 3.44Å; I88-A92 PolarHBondContact O-N 3.35Å; I88-A92 VanDerWaalsContact O-N 3.1Å; I88-L99 HydrophobicContact CG2-CD1 3.93Å; I88-F101 HydrophobicContact CD1-CZ 4.31Å
89D37.2Very low38.1Very low56 Ų56105.6 Ų105.630%0.29956%0.558SS.*Hα-helixtrans-56.3-38.6176.3-67.8-25.8000111.2K85 T86 F96K85-D89 WeakPolarHBondContact O-CB 3.32Å; K85-D89 PolarHBondContact O-N 3.4Å; K85-D89 VanDerWaalsContact O-OD2 3.06Å; T86-D89 PolarHBondContact O-N 3.12Å; D89-F96 WeakPolarHBondContact OD1-CE2 3.29Å
90N41.9Very low38.3Very low136 Ų136105.5 Ų105.573%0.72755%0.55SS**Hα-helixtrans-79.7-32.4178.7-75.6-15.2000114T86 T87 I88T86-N90 WeakPolarHBondContact O-CB 3.42Å; T86-N90 PolarHBondContact O-N 3.16Å; T87-N90 PolarHBondContact O-N 2.82Å; I88-N90 PolarHBondContact O-N 3.03Å
91W38.2Very low38.5Very low225 Ų225101.6 Ų101.685%0.85253%0.531SS*.Hα-helixtrans-81.1-32.8-174.6-87.249000113.3T87 I88T87-W91 WeakPolarHBondContact O-CB 3.3Å; T87-W91 VanDerWaalsContact O-CD1 3.25Å; T87-W91 PolarHBondContact O-N 3.45Å; I88-W91 PolarHBondContact O-N 3.44Å
92A39Very low38.4Very low21 Ų2199.4 Ų99.417%0.17453%0.527CS..  trans-156.578.9-178.200000112.1I88 S94 M95I88-A92 PolarHBondContact O-N 3.35Å; I88-A92 VanDerWaalsContact O-N 3.1Å; A92-S94 PolarHBondContact O-N 3.08Å; A92-M95 HydrophobicContact CB-CB 4.07Å; A92-M95 HydrophobicContact CB-CE 3.87Å; A92-M95 HydrophobicContact CB-CG 3.83Å; A92-M95 HydrophobicContact CB-SD 4.47Å; A92-M95 PolarHBondContact O-N 3.44Å
93P40.6Very low38.5Very low99 Ų99102.1 Ų102.164%0.64353%0.531SS*.G310 helixtrans-53.2-30.5174.9-22.430000112.8M95P93-M95 VanDerWaalsContact C-N 3.33Å; P93-M95 PolarHBondContact O-N 3.23Å
94S43.3Very low38Very low101 Ų101109.2 Ų109.271%0.70655%0.548SS*.G310 helixtrans-74.5-14.9-179.858.50000114.8A92 F96 P97A92-S94 PolarHBondContact O-N 3.08Å; S94-F96 VanDerWaalsContact C-N 3.34Å; S94-P97 WeakPolarHBondContact O-CD 3.42Å
95M35.2Very low37.8Very low87 Ų87106.7 Ų106.743%0.42954%0.543SS..G310 helixtrans-86.7-4.6177.3-71-153.5-50.100113.3A92 P93 L98 L99A92-M95 HydrophobicContact CB-CB 4.07Å; A92-M95 HydrophobicContact CB-CE 3.87Å; A92-M95 HydrophobicContact CB-CG 3.83Å; A92-M95 HydrophobicContact CB-SD 4.47Å; A92-M95 PolarHBondContact O-N 3.44Å; P93-M95 VanDerWaalsContact C-N 3.33Å; P93-M95 PolarHBondContact O-N 3.23Å; M95-L98 HydrophobicContact CG-CD1 4.46Å; M95-L98 WeakPolarHBondContact O-CA 3.3Å; M95-L98 WeakPolarHBondContact O-CB 3.36Å; M95-L98 PolarHBondContact O-N 3.43Å; M95-L99 HydrophobicContact CB-CD1 4.48Å; M95-L99 PolarHBondContact O-N 3.44Å; M95-L99 VanDerWaalsContact O-N 3.11Å
96F40.6Very low37.4Very low100 Ų100108 Ų10844%0.43956%0.555SS.*THydrogen-bonded Turntrans-59.2-39.8-178.5-150.5-88000114.2D89 S94 L98 L99 F101D89-F96 WeakPolarHBondContact OD1-CE2 3.29Å; S94-F96 VanDerWaalsContact C-N 3.34Å; F96-L98 PolarHBondContact O-N 3.25Å; F96-L99 PolarHBondContact O-N 3.45Å; F96-F101 HydrophobicContact CE2-CD2 4.41Å; F96-F101 HydrophobicContact CZ-CD2 4.47Å
97P42.7Very low36.7Very low117 Ų117110.3 Ų110.376%0.7657%0.573SS**THydrogen-bonded Turntrans-66.3-20.2174.5-18.531.7000113.6S94S94-P97 WeakPolarHBondContact O-CD 3.42Å
98L39.5Very low35.8Very low119 Ų119112.7 Ų112.762%0.62359%0.591SS**THydrogen-bonded Turntrans-86.8-28.9-179.8-64.2169.6000112M95 F96 D100M95-L98 HydrophobicContact CG-CD1 4.46Å; M95-L98 WeakPolarHBondContact O-CA 3.3Å; M95-L98 WeakPolarHBondContact O-CB 3.36Å; M95-L98 PolarHBondContact O-N 3.43Å; F96-L98 PolarHBondContact O-N 3.25Å; L98-D100 PolarHBondContact O-N 2.8Å
99L36.5Very low35.2Very low65 Ų65121 Ų12134%0.3462%0.618SS.*SBendtrans-97.388.6179-64.7169.1000108.7I88 M95 F96 F101I88-L99 HydrophobicContact CG2-CD1 3.93Å; M95-L99 HydrophobicContact CB-CD1 4.48Å; M95-L99 PolarHBondContact O-N 3.44Å; M95-L99 VanDerWaalsContact O-N 3.11Å; F96-L99 PolarHBondContact O-N 3.45Å; L99-F101 VanDerWaalsContact C-N 3.27Å; L99-F101 HydrophobicContact CB-CD2 3.93Å; L99-F101 HydrophobicContact CB-CE2 3.37Å; L99-F101 HydrophobicContact CB-CZ 3.73Å; L99-F101 HydrophobicContact CD1-CE2 4Å; L99-F101 HydrophobicContact CD1-CZ 3.9Å; L99-F101 HydrophobicContact CG-CE2 4.29Å; L99-F101 HydrophobicContact CG-CZ 4.31Å; L99-F101 VanDerWaalsContact O-CD2 3.22Å; L99-F101 WeakPolarHBondContact O-CD2 3.42Å; L99-F101 PolarHBondContact O-N 3.27Å
100D38Very low34.6Very low122 Ų122126.9 Ų126.965%0.65264%0.644SS**  trans-70.884.5174.8-167.73.6000110.6L98 S102L98-D100 PolarHBondContact O-N 2.8Å; D100-S102 VanDerWaalsContact CG-OG 3.23Å; D100-S102 PolarHBondContact O-N 3.38Å; D100-S102 WeakPolarHBondContact OD1-CB 3.47Å; D100-S102 PolarHBondContact OD1-N 3.39Å; D100-S102 PolarHBondContact OD1-OG 2.98Å; D100-S102 PolarHBondContact OD2-OG 2.95Å
101F36.9Very low33.8Very low76 Ų76130.2 Ų130.233%0.33365%0.652SS.*THydrogen-bonded Turntrans-77.112.1171.7-60.8-73.3000112.5I88 F96 L99 Q103 F105I88-F101 HydrophobicContact CD1-CZ 4.31Å; F96-F101 HydrophobicContact CE2-CD2 4.41Å; F96-F101 HydrophobicContact CZ-CD2 4.47Å; L99-F101 VanDerWaalsContact C-N 3.27Å; L99-F101 HydrophobicContact CB-CD2 3.93Å; L99-F101 HydrophobicContact CB-CE2 3.37Å; L99-F101 HydrophobicContact CB-CZ 3.73Å; L99-F101 HydrophobicContact CD1-CE2 4Å; L99-F101 HydrophobicContact CD1-CZ 3.9Å; L99-F101 HydrophobicContact CG-CE2 4.29Å; L99-F101 HydrophobicContact CG-CZ 4.31Å; L99-F101 VanDerWaalsContact O-CD2 3.22Å; L99-F101 WeakPolarHBondContact O-CD2 3.42Å; L99-F101 PolarHBondContact O-N 3.27Å; F101-Q103 PolarHBondContact O-N 3Å; F101-F105 HydrophobicContact CD1-CE2 4.35Å
102S35.5Very low33.2Very low85 Ų85124 Ų12459%0.59464%0.643SS**THydrogen-bonded Turntrans-69.2-18.4176.873.70000113D100 R104D100-S102 VanDerWaalsContact CG-OG 3.23Å; D100-S102 PolarHBondContact O-N 3.38Å; D100-S102 WeakPolarHBondContact OD1-CB 3.47Å; D100-S102 PolarHBondContact OD1-N 3.39Å; D100-S102 PolarHBondContact OD1-OG 2.98Å; D100-S102 PolarHBondContact OD2-OG 2.95Å; S102-R104 VanDerWaalsContact C-N 3.34Å; S102-R104 PolarHBondContact O-N 3.39Å
103Q34.8Very low32.5Very low151 Ų151129.3 Ų129.371%0.70667%0.673SS**SBendtrans-65.9100160.1-83.3-1767.600108.2F101 F105F101-Q103 PolarHBondContact O-N 3Å; Q103-F105 WeakPolarHBondContact O-CD2 3.49Å; Q103-F105 PolarHBondContact O-N 2.7Å
104R27.6Very low31.9Very low223 Ų223132 Ų13284%0.84268%0.682SS**  trans-51.1106.4164.1-69.4-176.9178.1-179.2-1106.7S102 D106S102-R104 VanDerWaalsContact C-N 3.34Å; S102-R104 PolarHBondContact O-N 3.39Å; R104-D106 VanDerWaalsContact C-N 3.28Å; R104-D106 PolarHBondContact O-N 3.44Å
105F32.3Very low31.1Very low152 Ų152137.5 Ų137.567%0.66769%0.693SS**  trans-63100.9165.4-73.6-88.7000105.7F101 Q103 C107F101-F105 HydrophobicContact CD1-CE2 4.35Å; Q103-F105 WeakPolarHBondContact O-CD2 3.49Å; Q103-F105 PolarHBondContact O-N 2.7Å; F105-C107 PolarHBondContact O-N 3.03Å; F105-C107 PolarHBondContact O-SG 3.46Å
106D27Very low30.5Very low142 Ų142136 Ų13676%0.75970%0.7SS**  trans-67.370.9170.5-85.7-27.1000108.2R104 C108R104-D106 VanDerWaalsContact C-N 3.28Å; R104-D106 PolarHBondContact O-N 3.44Å; D106-C108 PolarHBondContact O-N 3.32Å; D106-C108 VanDerWaalsContact O-N 3.08Å
107C24.7Very low29.8Very low112 Ų112141 Ų14176%0.75773%0.725SS**THydrogen-bonded Turntrans-67.9-2.9176.2-60.20000112.3F105F105-C107 PolarHBondContact O-N 3.03Å; F105-C107 PolarHBondContact O-SG 3.46Å
108C23.2Very low28.9Very low120 Ų120139.5 Ų139.581%0.81172%0.717SS**THydrogen-bonded Turntrans-111.436.9-172.5-62.50000113.1D106 Q110D106-C108 PolarHBondContact O-N 3.32Å; D106-C108 VanDerWaalsContact O-N 3.08Å; C108-Q110 VanDerWaalsContact C-N 3.34Å; C108-Q110 PolarHBondContact O-N 3.03Å; C108-Q110 VanDerWaalsContact O-N 3.16Å
109R24.6Very low28.1Very low231 Ų231138.9 Ų138.987%0.87272%0.722SS**  trans-85.886.5163.2-116.1-175.7-175.6-169.62.9110.9
110Q23.6Very low27.6Very low180 Ų180145.9 Ų145.984%0.84175%0.746SS**  trans-35.7128.6163-148.4165.924.200112C108 S112C108-Q110 VanDerWaalsContact C-N 3.34Å; C108-Q110 PolarHBondContact O-N 3.03Å; C108-Q110 VanDerWaalsContact O-N 3.16Å; Q110-S112 PolarHBondContact O-N 2.96Å
111K25.3Very low26.9Very low206 Ų206144.2 Ų144.290%0.89675%0.749SS**  trans-17.789.8169.5-64.1173.7178.3177.20114.6
112S26.3Very low26.3Very low95 Ų95147.6 Ų147.666%0.66477%0.77SS**  trans-104.293.5156.162.50000107.8Q110 L114Q110-S112 PolarHBondContact O-N 2.96Å; S112-L114 VanDerWaalsContact C-N 3.33Å; S112-L114 PolarHBondContact O-N 3.36Å
113T24.1Very low26.1Very low132 Ų132148.6 Ų148.681%0.8177%0.774SS**  trans-57.194.8160.640.10000108.9
114L27.3Very low26Very low157 Ų157147.6 Ų147.682%0.82278%0.778SS**  trans-148.8122.6160-111.8117.9000110.1S112 G116S112-L114 VanDerWaalsContact C-N 3.33Å; S112-L114 PolarHBondContact O-N 3.36Å; L114-G116 PolarHBondContact O-N 3.49Å; L114-G116 VanDerWaalsContact O-N 3.11Å
115K26.4Very low26.3Very low215 Ų215145.1 Ų145.194%0.93578%0.776SS**  trans-34.2110.5164.1-71.9169.6170.81780110.9
116G24.4Very low26.2Very low56 Ų56146.1 Ų146.158%0.57778%0.783SS**  trans-165.4109.6168.800000105.8L114 S118L114-G116 PolarHBondContact O-N 3.49Å; L114-G116 VanDerWaalsContact O-N 3.11Å; G116-S118 PolarHBondContact O-N 2.86Å; G116-S118 PolarHBondContact O-OG 2.72Å
117E24.7Very low26.7Very low206 Ų206147 Ų14796%0.96378%0.78SS**  trans-58.678.5172.8-67171.7150.600109S119E117-S119 PolarHBondContact O-N 3.22Å
118S25Very low27.1Very low84 Ų84146.1 Ų146.159%0.58777%0.768SS**  trans-88.376.6167.846.40000106.4G116 Y120G116-S118 PolarHBondContact O-N 2.86Å; G116-S118 PolarHBondContact O-OG 2.72Å; S118-Y120 VanDerWaalsContact C-N 3.31Å; S118-Y120 WeakPolarHBondContact O-CD2 3.39Å; S118-Y120 PolarHBondContact O-N 3.25Å
119S22.7Very low27.5Very low106 Ų106145.8 Ų145.874%0.74176%0.758SS**  trans-58.5107.6153.457.20000105.5E117 A121E117-S119 PolarHBondContact O-N 3.22Å; S119-A121 PolarHBondContact O-N 2.91Å
120Y25.1Very low28Very low213 Ų213140.6 Ų140.684%0.83574%0.743SS**  trans-58.494.5169.4-72.5-95.5000107.2S118 L122S118-Y120 VanDerWaalsContact C-N 3.31Å; S118-Y120 WeakPolarHBondContact O-CD2 3.39Å; S118-Y120 PolarHBondContact O-N 3.25Å; Y120-L122 PolarHBondContact O-N 3.41Å
121A23.7Very low28.8Very low87 Ų87139 Ų13972%0.71973%0.734SS**  trans-69.994.7161.900000104.6S119 P123S119-A121 PolarHBondContact O-N 2.91Å; A121-P123 VanDerWaalsContact O-N 3.13Å
122L24.3Very low29.3Very low146 Ų146130.6 Ų130.676%0.76470%0.702SS**  trans-45.7123.6156.3-86.6156.3000105.4Y120 V124Y120-L122 PolarHBondContact O-N 3.41Å; L122-V124 PolarHBondContact O-N 2.97Å
123P30.1Very low29.7Very low107 Ų107131.2 Ų131.270%0.69570%0.697SS**  trans-54.6113.2173.421.7-29.6000105.3A121 E125A121-P123 VanDerWaalsContact O-N 3.13Å; P123-E125 PolarHBondContact O-N 3.44Å
124V33.7Very low30.4Very low130 Ų130130.4 Ų130.479%0.78869%0.688SS**  trans-71.566.4167.2-173.50000104.5L122 E126L122-V124 PolarHBondContact O-N 2.97Å; V124-E126 HydrophobicContact CG1-CG 4.21Å; V124-E126 PolarHBondContact O-N 2.84Å
125E34.3Very low31Very low171 Ų171133.5 Ų133.580%0.79969%0.689SS**  trans-62.695.9148.9-78.3-166.8155.400103P123 F127P123-E125 PolarHBondContact O-N 3.44Å; E125-F127 VanDerWaalsContact C-N 3.29Å; E125-F127 PolarHBondContact O-N 2.97Å
126E30.4Very low31.3Very low172 Ų172127.4 Ų127.480%0.80467%0.667SS**  trans-46.2108.2159.8-82.1178.1153.500105.2V124 D128V124-E126 HydrophobicContact CG1-CG 4.21Å; V124-E126 PolarHBondContact O-N 2.84Å; E126-D128 PolarHBondContact O-N 3.02Å
127F37.1Very low31.7Very low160 Ų160129.5 Ų129.570%0.70267%0.672SS**  trans-64.489.2177-176.5-93.1000106.1E125 L129 A132E125-F127 VanDerWaalsContact C-N 3.29Å; E125-F127 PolarHBondContact O-N 2.97Å; F127-L129 VanDerWaalsContact C-N 3.29Å; F127-L129 HydrophobicContact CD1-CG 4.06Å; F127-L129 HydrophobicContact CE1-CD2 4.1Å; F127-L129 HydrophobicContact CE1-CG 3.96Å; F127-L129 PolarHBondContact O-N 3.27Å; F127-A132 HydrophobicContact CE1-CB 4.25Å; F127-A132 HydrophobicContact CE2-CB 4.49Å; F127-A132 HydrophobicContact CZ-CB 3.88Å
128D32.5Very low32Very low94 Ų94125.6 Ų125.650%0.50366%0.658SS.*  trans-74.992-178.7-167.3-4.8000106.6E126 Q130 K131 A132E126-D128 PolarHBondContact O-N 3.02Å; D128-Q130 PolarHBondContact O-N 2.82Å; D128-K131 HydrophobicContact CB-CB 4.16Å; D128-K131 WeakPolarHBondContact O-CA 3.49Å; D128-K131 WeakPolarHBondContact O-CB 3.49Å; D128-K131 PolarHBondContact O-N 3.14Å; D128-A132 PolarHBondContact O-N 3.23Å; D128-A132 VanDerWaalsContact O-N 3.14Å
129L32.6Very low32.3Very low114 Ų114127.1 Ų127.160%0.59767%0.665SS**Hα-helixtrans-47.4-33-179.7-101.5155.3000111.7F127 A132 L133F127-L129 VanDerWaalsContact C-N 3.29Å; F127-L129 HydrophobicContact CD1-CG 4.06Å; F127-L129 HydrophobicContact CE1-CD2 4.1Å; F127-L129 HydrophobicContact CE1-CG 3.96Å; F127-L129 PolarHBondContact O-N 3.27Å; L129-A132 PolarHBondContact O-N 2.84Å; L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 WeakPolarHBondContact O-CG 3.25Å; L129-L133 PolarHBondContact O-N 3.27Å
130Q34.4Very low32.6Very low122 Ų122128.1 Ų128.157%0.5766%0.662SS**Hα-helixtrans-65.1-44.7177.7-154.269.835.100111.4D128 A132 L133 D134D128-Q130 PolarHBondContact O-N 2.82Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-A132 PolarHBondContact O-N 2.98Å; Q130-L133 PolarHBondContact O-N 3.2Å; Q130-D134 WeakPolarHBondContact O-CB 3.45Å; Q130-D134 VanDerWaalsContact O-CG 3.29Å; Q130-D134 PolarHBondContact O-N 3.28Å
131K40.1Very low32.7Very low147 Ų147123.5 Ų123.564%0.63966%0.66SS**Hα-helixtrans-65.7-36.5176.6-124.3178.7-173.51760112.4D128 R135D128-K131 HydrophobicContact CB-CB 4.16Å; D128-K131 WeakPolarHBondContact O-CA 3.49Å; D128-K131 WeakPolarHBondContact O-CB 3.49Å; D128-K131 PolarHBondContact O-N 3.14Å; K131-R135 WeakPolarHBondContact O-CB 3.41Å; K131-R135 PolarHBondContact O-N 3.15Å
132A35.5Very low32.8Very low28 Ų28127.2 Ų127.223%0.23166%0.66CS.*Hα-helixtrans-69.6-35.4175.600000112.1F127 D128 L129 Q130 N136F127-A132 HydrophobicContact CE1-CB 4.25Å; F127-A132 HydrophobicContact CE2-CB 4.49Å; F127-A132 HydrophobicContact CZ-CB 3.88Å; D128-A132 PolarHBondContact O-N 3.23Å; D128-A132 VanDerWaalsContact O-N 3.14Å; L129-A132 PolarHBondContact O-N 2.84Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-A132 PolarHBondContact O-N 2.98Å; A132-N136 WeakPolarHBondContact O-CB 3.47Å; A132-N136 PolarHBondContact O-N 2.8Å; A132-N136 VanDerWaalsContact O-N 3.12Å; A132-N136 PolarHBondContact O-ND2 3.41Å
133L35.3Very low32.8Very low108 Ų108126 Ų12657%0.56566%0.661SS**Hα-helixtrans-71.1-41.5173.2-80.8161.6000111.7L129 Q130 N136L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 WeakPolarHBondContact O-CG 3.25Å; L129-L133 PolarHBondContact O-N 3.27Å; Q130-L133 PolarHBondContact O-N 3.2Å; L133-N136 CarbonylContact O-C 3.2Å; L133-N136 WeakPolarHBondContact O-CA 3.4Å; L133-N136 PolarHBondContact O-N 2.77Å
134D38.5Very low32.5Very low115 Ų115125.3 Ų125.362%0.61566%0.655SS**Hα-helixtrans-67-37.2178.3-71.8-16.7000112Q130 N136 S137Q130-D134 WeakPolarHBondContact O-CB 3.45Å; Q130-D134 VanDerWaalsContact O-CG 3.29Å; Q130-D134 PolarHBondContact O-N 3.28Å; D134-N136 VanDerWaalsContact C-N 3.33Å; D134-S137 PolarHBondContact O-N 2.81Å
135R39.2Very low32Very low223 Ų223123.4 Ų123.484%0.84265%0.647SS**Hα-helixtrans-69.4-30.9172.1-86.1-168.4169.9-179.4-1.2112.8K131 S137K131-R135 WeakPolarHBondContact O-CB 3.41Å; K131-R135 PolarHBondContact O-N 3.15Å; R135-S137 PolarHBondContact O-N 3.26Å; R135-S137 VanDerWaalsContact O-N 3.09Å
136N33.2Very low31.8Very low87 Ų87124.8 Ų124.847%0.46565%0.651SS.*  trans-84.755.2169.6-74.6-50.5000110.3A132 L133 D134 L138A132-N136 WeakPolarHBondContact O-CB 3.47Å; A132-N136 PolarHBondContact O-N 2.8Å; A132-N136 VanDerWaalsContact O-N 3.12Å; A132-N136 PolarHBondContact O-ND2 3.41Å; L133-N136 CarbonylContact O-C 3.2Å; L133-N136 WeakPolarHBondContact O-CA 3.4Å; L133-N136 PolarHBondContact O-N 2.77Å; D134-N136 VanDerWaalsContact C-N 3.33Å; N136-L138 PolarHBondContact O-N 2.9Å
137S32.9Very low31.6Very low99 Ų99121.2 Ų121.269%0.69264%0.641SS**  trans-69.455.9157.2720000109.2D134 R135D134-S137 PolarHBondContact O-N 2.81Å; R135-S137 PolarHBondContact O-N 3.26Å; R135-S137 VanDerWaalsContact O-N 3.09Å
138L31.1Very low31.2Very low125 Ų125121.7 Ų121.765%0.65464%0.643SS**  trans-56.6126.8157.6-85.2158.9000105N136 L140N136-L138 PolarHBondContact O-N 2.9Å; L138-L140 PolarHBondContact O-N 2.79Å
139P31.6Very low31.1Very low115 Ų115126.4 Ų126.475%0.74766%0.661SS**  trans-64.192.6176.725.9-31.3000106.9S141P139-S141 PolarHBondContact O-N 2.82Å
140L27.9Very low31.1Very low127 Ų127128.5 Ų128.567%0.66567%0.666SS**  trans-66.980.1164.7-71.2170.3000105L138 K142 V144L138-L140 PolarHBondContact O-N 2.79Å; L140-K142 PolarHBondContact O-N 3.12Å; L140-V144 HydrophobicContact CD2-CG2 4.22Å
141S28.3Very low31.1Very low116 Ų116128.2 Ų128.281%0.81168%0.677SS**SBendtrans-60.5-5.617957.40000112.5P139P139-S141 PolarHBondContact O-N 2.82Å
142K25.7Very low30.8Very low166 Ų166126.1 Ų126.172%0.72267%0.673SS**SBendtrans-137.3126.4164.7-64.8179.5-178.6171.50108.5L140 V144L140-K142 PolarHBondContact O-N 3.12Å; K142-V144 PolarHBondContact O-N 3.09Å; K142-V144 VanDerWaalsContact O-N 3.16Å
143P23.7Very low30.8Very low119 Ų119133.7 Ų133.777%0.77370%0.701SS**  trans-56124.3170.322.7-30.8000108.1S145P143-S145 VanDerWaalsContact C-N 3.25Å; P143-S145 PolarHBondContact O-N 3.35Å
144V24.9Very low30.8Very low93 Ų93135.6 Ų135.656%0.56471%0.707SS**  trans-67.691174.4-179.60000106.8L140 K142 F146L140-V144 HydrophobicContact CD2-CG2 4.22Å; K142-V144 PolarHBondContact O-N 3.09Å; K142-V144 VanDerWaalsContact O-N 3.16Å; V144-F146 PolarHBondContact O-N 2.83Å
145S23.3Very low30.4Very low90 Ų90134.3 Ų134.363%0.62970%0.7SS**  trans-68.1114.5169.458.40000107.7P143 V147P143-S145 VanDerWaalsContact C-N 3.25Å; P143-S145 PolarHBondContact O-N 3.35Å; S145-V147 PolarHBondContact O-N 3.42Å
146F28.8Very low30Very low200 Ų200130.9 Ų130.988%0.87770%0.695SS**SBendtrans-64.922.1173.8-70.2-80.9000114.3V144V144-F146 PolarHBondContact O-N 2.83Å
147V26.2Very low30Very low98 Ų98131.5 Ų131.559%0.59470%0.702SS**  trans-129.261.1-176.2-164.60000108.4S145 E149S145-V147 PolarHBondContact O-N 3.42Å; V147-E149 VanDerWaalsContact C-N 3.34Å
148K28.6Very low29.9Very low170 Ų170135.5 Ų135.574%0.73970%0.702SS**  trans-89.593.4145.6-121.5176.7-176.6170.40105K150K148-K150 PolarHBondContact O-N 2.96Å
149E30.4Very low30Very low192 Ų192135.5 Ų135.590%0.89770%0.702SS**  trans-57.977163-169172.9-156.500107.3V147V147-E149 VanDerWaalsContact C-N 3.34Å
150K32.4Very low30.3Very low159 Ų159136.8 Ų136.869%0.69170%0.696SS**  trans-106.2112.4173.3-93.9-168.5169.9-168.10106.2K148 N152K148-K150 PolarHBondContact O-N 2.96Å; K150-N152 PolarHBondContact O-N 2.75Å
151S35.4Very low30.6Very low116 Ų116138.5 Ų138.581%0.81169%0.694SS**  trans-55.816-173.651.20000117.1K153S151-K153 PolarHBondContact O-N 3.2Å
152N34.4Very low30.8Very low102 Ų102137.6 Ų137.655%0.54568%0.68SS.*  trans-94.395.5179.9-83.6-0.2000110.3K150 E154 D155K150-N152 PolarHBondContact O-N 2.75Å; N152-E154 PolarHBondContact O-N 3.32Å; N152-D155 PolarHBondContact O-N 3.04Å
153K35.3Very low31.3Very low187 Ų187132.5 Ų132.581%0.81367%0.665SS**Hα-helixtrans-51.4-19.3171.9-69.2177.3177.9175.90113.4S151S151-K153 PolarHBondContact O-N 3.2Å
154E34.4Very low31.7Very low148 Ų148130.7 Ų130.769%0.69265%0.649SS**Hα-helixtrans-69.3-37.7179.9-66-174157.800114.2N152 M156 V157 R158N152-E154 PolarHBondContact O-N 3.32Å; E154-M156 VanDerWaalsContact C-N 3.33Å; E154-M156 PolarHBondContact O-N 3.32Å; E154-V157 PolarHBondContact O-N 3.47Å; E154-R158 PolarHBondContact O-N 3.23Å
155D30.9Very low32.2Very low89 Ų89130 Ų13048%0.47664%0.642SS.*Hα-helixtrans-73.1-30-176.5-77.9-26.3000112.1N152 V157 R158 L159N152-D155 PolarHBondContact O-N 3.04Å; D155-V157 VanDerWaalsContact C-N 3.27Å; D155-V157 PolarHBondContact O-N 2.79Å; D155-R158 PolarHBondContact O-N 3.43Å; D155-L159 PolarHBondContact O-N 3.45Å
156M29.9Very low32.8Very low150 Ų150133.6 Ų133.674%0.73965%0.646SS**Hα-helixtrans-66.2-32.1175.5-147.1-172.269.800111.7E154 K160E154-M156 VanDerWaalsContact C-N 3.33Å; E154-M156 PolarHBondContact O-N 3.32Å; M156-K160 PolarHBondContact O-N 3.06Å
157V34.2Very low33.1Very low100 Ų100129.1 Ų129.161%0.60663%0.63SS**Hα-helixtrans-69.9-39.5175.5179.60000110.7E154 D155 K160 Y161E154-V157 PolarHBondContact O-N 3.47Å; D155-V157 VanDerWaalsContact C-N 3.27Å; D155-V157 PolarHBondContact O-N 2.79Å; V157-K160 PolarHBondContact O-N 3.26Å; V157-Y161 WeakPolarHBondContact O-CB 3.37Å; V157-Y161 PolarHBondContact O-N 3.23Å
158R31Very low33.2Very low184 Ų184131.1 Ų131.169%0.69463%0.632SS**Hα-helixtrans-63.9-42.1178.3-78.7-178.4170.6172.6-2.5113E154 D155 Y161 L162E154-R158 PolarHBondContact O-N 3.23Å; D155-R158 PolarHBondContact O-N 3.43Å; R158-Y161 PolarHBondContact O-N 3.33Å; R158-L162 PolarHBondContact O-N 2.89Å
159L32.4Very low33.2Very low124 Ų124128.3 Ų128.365%0.64963%0.625SS**Hα-helixtrans-66.8-41179-90.9153.8000112.5D155 Y161 L162 S163D155-L159 PolarHBondContact O-N 3.45Å; L159-Y161 VanDerWaalsContact C-N 3.28Å; L159-Y161 PolarHBondContact O-N 2.97Å; L159-L162 PolarHBondContact O-N 3.33Å; L159-S163 PolarHBondContact O-N 3.06Å
160K37.7Very low33.2Very low143 Ų143122.9 Ų122.962%0.62261%0.607SS**Hα-helixtrans-63.4-37.4175-168169.8-177.7175.50111.8M156 V157 S163 D164M156-K160 PolarHBondContact O-N 3.06Å; V157-K160 PolarHBondContact O-N 3.26Å; K160-S163 PolarHBondContact O-N 3.27Å; K160-S163 PolarHBondContact O-OG 3.37Å; K160-D164 VanDerWaalsContact O-CG 3.28Å; K160-D164 PolarHBondContact O-N 3.3Å; K160-D164 VanDerWaalsContact O-N 3.09Å
161Y34.1Very low33Very low162 Ų162120 Ų12064%0.63560%0.603SS**Hα-helixtrans-65.8-38.2175.7-152.5-101.5000112.4V157 R158 L159 D164 L165V157-Y161 WeakPolarHBondContact O-CB 3.37Å; V157-Y161 PolarHBondContact O-N 3.23Å; R158-Y161 PolarHBondContact O-N 3.33Å; L159-Y161 VanDerWaalsContact C-N 3.28Å; L159-Y161 PolarHBondContact O-N 2.97Å; Y161-D164 PolarHBondContact O-N 2.71Å; Y161-L165 HydrophobicContact CD1-CD1 3.5Å; Y161-L165 VanDerWaalsContact CD1-CD1 3.5Å; Y161-L165 HydrophobicContact CE1-CD1 3.53Å; Y161-L165 WeakPolarHBondContact O-CB 3.12Å; Y161-L165 PolarHBondContact O-N 2.94Å
162L34.3Very low32.6Very low98 Ų98122 Ų12251%0.51360%0.597SS.*Hα-helixtrans-68.6-39.6176.3-75.9171000112.6R158 L159 D164 L165 F166R158-L162 PolarHBondContact O-N 2.89Å; L159-L162 PolarHBondContact O-N 3.33Å; L162-D164 VanDerWaalsContact C-N 3.31Å; L162-D164 PolarHBondContact O-N 3.37Å; L162-L165 PolarHBondContact O-N 2.82Å; L162-F166 WeakPolarHBondContact O-CD2 3.27Å; L162-F166 PolarHBondContact O-N 2.84Å
163S34.6Very low32.3Very low58 Ų58122.9 Ų122.941%0.40661%0.607SS.*Hα-helixtrans-62.8-40.617457.20000111.6L159 K160 F166 I167L159-S163 PolarHBondContact O-N 3.06Å; K160-S163 PolarHBondContact O-N 3.27Å; K160-S163 PolarHBondContact O-OG 3.37Å; S163-F166 PolarHBondContact O-N 3.37Å; S163-I167 WeakPolarHBondContact O-CG1 3.41Å; S163-I167 PolarHBondContact O-N 3.49Å; S163-I167 VanDerWaalsContact O-N 3.08Å
164D33.7Very low31.8Very low82 Ų82125 Ų12544%0.43961%0.61SS.*Hα-helixtrans-68.3-36.6178.4-68.2-13.1000111.6K160 Y161 L162 I167 F168K160-D164 VanDerWaalsContact O-CG 3.28Å; K160-D164 PolarHBondContact O-N 3.3Å; K160-D164 VanDerWaalsContact O-N 3.09Å; Y161-D164 PolarHBondContact O-N 2.71Å; L162-D164 VanDerWaalsContact C-N 3.31Å; L162-D164 PolarHBondContact O-N 3.37Å; D164-I167 PolarHBondContact O-N 2.96Å; D164-F168 PolarHBondContact O-N 3.43Å
165L34.5Very low31.2Very low78 Ų78125.7 Ų125.741%0.40862%0.617SS.*Hα-helixtrans-63.8-38.8173.1-107.5136.1000112.9Y161 L162 F168 N169Y161-L165 HydrophobicContact CD1-CD1 3.5Å; Y161-L165 VanDerWaalsContact CD1-CD1 3.5Å; Y161-L165 HydrophobicContact CE1-CD1 3.53Å; Y161-L165 WeakPolarHBondContact O-CB 3.12Å; Y161-L165 PolarHBondContact O-N 2.94Å; L162-L165 PolarHBondContact O-N 2.82Å; L165-F168 PolarHBondContact O-N 2.86Å; L165-N169 PolarHBondContact O-N 3.05Å
166F35.2Very low30.9Very low165 Ų165128.8 Ų128.872%0.72463%0.633SS**Hα-helixtrans-67.1-39.6175.5-97.7-83.5000111.9L162 S163 F168 N169 S170L162-F166 WeakPolarHBondContact O-CD2 3.27Å; L162-F166 PolarHBondContact O-N 2.84Å; S163-F166 PolarHBondContact O-N 3.37Å; F166-F168 VanDerWaalsContact C-N 3.28Å; F166-F168 PolarHBondContact O-N 3.46Å; F166-N169 PolarHBondContact O-N 3.04Å; F166-S170 PolarHBondContact O-N 2.78Å
167I36.3Very low30.7Very low106 Ų106125.6 Ų125.654%0.54463%0.631SS.*Hα-helixtrans-62.8-39.3173.3-63.7167.7000110.1S163 D164 S170 T171S163-I167 WeakPolarHBondContact O-CG1 3.41Å; S163-I167 PolarHBondContact O-N 3.49Å; S163-I167 VanDerWaalsContact O-N 3.08Å; D164-I167 PolarHBondContact O-N 2.96Å; I167-S170 PolarHBondContact O-N 2.77Å; I167-S170 PolarHBondContact O-OG 2.84Å; I167-T171 PolarHBondContact O-OG1 3.27Å
168F27.8Very low30.1Very low141 Ų141126.6 Ų126.662%0.61864%0.637SS**Hα-helixtrans-71.1-33.8-179.8-126.3-89.2000114.2D164 L165 F166 S170 T171 K172D164-F168 PolarHBondContact O-N 3.43Å; L165-F168 PolarHBondContact O-N 2.86Å; F166-F168 VanDerWaalsContact C-N 3.28Å; F166-F168 PolarHBondContact O-N 3.46Å; F168-S170 VanDerWaalsContact C-N 3.34Å; F168-T171 PolarHBondContact O-N 3.4Å; F168-T171 PolarHBondContact O-OG1 3.37Å; F168-K172 PolarHBondContact O-N 3.35Å
169N29.4Very low29.8Very low111 Ų111124.2 Ų124.259%0.59464%0.643SS**Hα-helixtrans-73.7-26175.2-85.8-19.8000112.8L165 F166 T171L165-N169 PolarHBondContact O-N 3.05Å; F166-N169 PolarHBondContact O-N 3.04Å; N169-T171 VanDerWaalsContact C-N 3.29Å; N169-T171 PolarHBondContact O-N 2.92Å
170S28.7Very low29.4Very low77 Ų77123.4 Ų123.454%0.53865%0.647SS.*Hα-helixtrans-69.8-25.3174.678.10000113.5F166 I167 F168 T173F166-S170 PolarHBondContact O-N 2.78Å; I167-S170 PolarHBondContact O-N 2.77Å; I167-S170 PolarHBondContact O-OG 2.84Å; F168-S170 VanDerWaalsContact C-N 3.34Å; S170-T173 PolarHBondContact O-OG1 2.99Å
171T29.1Very low28.7Very low98 Ų98121.3 Ų121.360%0.60165%0.651SS**Hα-helixtrans-97.6-12.2-177.649.90000114I167 F168 N169 T173I167-T171 PolarHBondContact O-OG1 3.27Å; F168-T171 PolarHBondContact O-N 3.4Å; F168-T171 PolarHBondContact O-OG1 3.37Å; N169-T171 VanDerWaalsContact C-N 3.29Å; N169-T171 PolarHBondContact O-N 2.92Å; T171-T173 VanDerWaalsContact C-N 3.29Å; T171-T173 PolarHBondContact O-N 2.95Å
172K27.2Very low28.2Very low159 Ų159123.4 Ų123.469%0.69166%0.664SS**G310 helixtrans-79.5-3.9179.6-124.5-178-177.4-178.70114.9F168 R174F168-K172 PolarHBondContact O-N 3.35Å; K172-R174 PolarHBondContact O-N 2.93Å; K172-R174 VanDerWaalsContact O-N 3.12Å
173T26.9Very low27.7Very low121 Ų121123.9 Ų123.974%0.74268%0.675SS**G310 helixtrans-72.97.1-179.927.40000115.7S170 T171S170-T173 PolarHBondContact O-OG1 2.99Å; T171-T173 VanDerWaalsContact C-N 3.29Å; T171-T173 PolarHBondContact O-N 2.95Å
174R24.9Very low27.2Very low232 Ų232128 Ų12888%0.87569%0.691SS**G310 helixtrans-140.719.6-178.3-105.7-174.7-169.7-177.53.8118K172 L176K172-R174 PolarHBondContact O-N 2.93Å; K172-R174 VanDerWaalsContact O-N 3.12Å; R174-L176 VanDerWaalsContact C-N 3.33Å; R174-L176 PolarHBondContact O-N 3.22Å; R174-L176 VanDerWaalsContact O-N 3.16Å
175L23Very low26.7Very low162 Ų162132.5 Ų132.585%0.84871%0.708SS**  trans-87.482.1165.9-137.9114000109A177L175-A177 PolarHBondContact O-N 3.14Å
176L24.9Very low26.1Very low153 Ų153135.9 Ų135.980%0.80173%0.726SS**  trans-55.1105.7161.9-88.8153.1000107R174 T178R174-L176 VanDerWaalsContact C-N 3.33Å; R174-L176 PolarHBondContact O-N 3.22Å; R174-L176 VanDerWaalsContact O-N 3.16Å; L176-T178 PolarHBondContact O-N 3.17Å
177A24.7Very low25.4Very low84 Ų84136.4 Ų136.469%0.69473%0.731SS**  trans-65.285.8166.300000107.5L175 V179L175-A177 PolarHBondContact O-N 3.14Å; A177-V179 VanDerWaalsContact C-N 3.3Å; A177-V179 PolarHBondContact O-N 2.9Å
178T22.5Very low24.7Very low121 Ų121141 Ų14174%0.74275%0.747SS**  trans-61.7103.1155.735.60000106.1L176 S180L176-T178 PolarHBondContact O-N 3.17Å; T178-S180 PolarHBondContact O-N 3.47Å
179V23.2Very low24.4Very low134 Ų134145.5 Ų145.581%0.81276%0.76SS**  trans-59.584.9164.8-1740000106.3A177 S181A177-V179 VanDerWaalsContact C-N 3.3Å; A177-V179 PolarHBondContact O-N 2.9Å; V179-S181 VanDerWaalsContact C-N 3.33Å; V179-S181 PolarHBondContact O-N 2.95Å; V179-S181 VanDerWaalsContact O-N 3.12Å
180S23.9Very low24Very low107 Ų107150.4 Ų150.475%0.74877%0.772SS**  trans-83.885.6177.160.40000107.8T178T178-S180 PolarHBondContact O-N 3.47Å
181S24.5Very low23.6Very low99 Ų99153.6 Ų153.669%0.69278%0.778SS**  trans-51.4134156.326.20000109.5V179 S183V179-S181 VanDerWaalsContact C-N 3.33Å; V179-S181 PolarHBondContact O-N 2.95Å; V179-S181 VanDerWaalsContact O-N 3.12Å; S181-S183 PolarHBondContact O-N 3.41Å
182F22.8Very low23.3Very low206 Ų206156.8 Ų156.890%0.90478%0.784SS**  trans-38.3119174.9-86-107.2000113
183S24.1Very low23.1Very low107 Ų107158.7 Ų158.775%0.74879%0.786SS**  trans-146.2101.8148.653.90000109.1S181S181-S183 PolarHBondContact O-N 3.41Å
184L24.1Very low22.8Very low144 Ų144162 Ų16275%0.75479%0.787SS**  trans-62.6129.6160.5-75.4153.5000107
185F22.2Very low22.9Very low178 Ų178155.2 Ų155.278%0.78178%0.78SS**  trans71.797.2175.8-55.5-85.1000116.7
186N22.2Very low22.9Very low148 Ų148154.9 Ų154.979%0.79178%0.779SS**  -173.4112114.9-94.5-25.2000110.4
187E21Very low22.8Very low176 Ų176152.3 Ų152.382%0.82277%0.774SS**  trans25.1111.1138.6-151.2169.2-165.200117.1R189E187-R189 PolarHBondContact O-N 2.95Å
188F22.5Very low22.8Very low203 Ų203153.5 Ų153.589%0.8978%0.775SS**  trans-51.493174-78.5-91.3000111.7Y190F188-Y190 PolarHBondContact O-N 3.35Å
189R20.3Very low22.8Very low235 Ų235153.8 Ų153.889%0.88778%0.776SS**  trans-80.7105.4169.9-136.6-178.7-84176-6.2107.7E187 E191E187-R189 PolarHBondContact O-N 2.95Å; R189-E191 VanDerWaalsContact C-N 3.33Å; R189-E191 PolarHBondContact O-N 2.86Å
190Y21.8Very low22.7Very low214 Ų214152.1 Ų152.184%0.83977%0.769SS**  trans-61.391.9170.2-84.7-95.7000109.4F188 K192F188-Y190 PolarHBondContact O-N 3.35Å; Y190-K192 VanDerWaalsContact C-N 3.28Å; Y190-K192 PolarHBondContact O-N 3.45Å
191E20.8Very low22.5Very low144 Ų144157.3 Ų157.367%0.67377%0.772SS**  trans-78.885.5166.9-134.5-177.6-140.800108R189 R193R189-E191 VanDerWaalsContact C-N 3.33Å; R189-E191 PolarHBondContact O-N 2.86Å; E191-R193 PolarHBondContact O-N 3.49Å; E191-R193 IonicContact OE2-CZ 3.47Å; E191-R193 IonicContact OE2-NE 3.32Å; E191-R193 PolarHBondContact OE2-NE 2.93Å; E191-R193 IonicContact OE2-NH2 3.95Å; E191-R193 PolarHBondContact OE2-NH2 3.44Å
192K21.9Very low22.5Very low165 Ų165160.8 Ų160.872%0.71778%0.777SS**  trans-6282.3163.7-84.4-178.2174.3178.10108.1Y190 Y194Y190-K192 VanDerWaalsContact C-N 3.28Å; Y190-K192 PolarHBondContact O-N 3.45Å; K192-Y194 PolarHBondContact O-N 2.91Å; K192-Y194 VanDerWaalsContact O-N 3.11Å
193R22.2Very low22.5Very low199 Ų199156.7 Ų156.775%0.75177%0.769SS**  trans-74.6100.8164.5-71.4-168.8-165.8-177.84.2107.8E191 A195E191-R193 PolarHBondContact O-N 3.49Å; E191-R193 IonicContact OE2-CZ 3.47Å; E191-R193 IonicContact OE2-NE 3.32Å; E191-R193 PolarHBondContact OE2-NE 2.93Å; E191-R193 IonicContact OE2-NH2 3.95Å; E191-R193 PolarHBondContact OE2-NH2 3.44Å; R193-A195 VanDerWaalsContact C-N 3.29Å; R193-A195 PolarHBondContact O-N 2.77Å
194Y22.4Very low22.6Very low191 Ų191155.2 Ų155.275%0.74976%0.763SS**  trans-56.496.4158.1-73.7-94.2000107.4K192 D196K192-Y194 PolarHBondContact O-N 2.91Å; K192-Y194 VanDerWaalsContact O-N 3.11Å; Y194-D196 VanDerWaalsContact C-N 3.29Å; Y194-D196 PolarHBondContact O-N 3.25Å
195A26.4Very low23Very low89 Ų89154.5 Ų154.574%0.73677%0.768SS**  trans-87.982.7162.700000106.8R193 S197R193-A195 VanDerWaalsContact C-N 3.29Å; R193-A195 PolarHBondContact O-N 2.77Å; A195-S197 PolarHBondContact O-N 2.98Å
196D22.9Very low23.5Very low155 Ų155152.4 Ų152.483%0.82976%0.764SS**  trans-61.685.5153.8-74.4-34.6000107.1Y194Y194-D196 VanDerWaalsContact C-N 3.29Å; Y194-D196 PolarHBondContact O-N 3.25Å
197S22.7Very low23.6Very low99 Ų99149.7 Ų149.769%0.69277%0.772SS**  trans-114.2115.7163.9-172.40000107.8A195 V199A195-S197 PolarHBondContact O-N 2.98Å; S197-V199 PolarHBondContact O-N 3.44Å
198P24.3Very low23.7Very low110 Ų110145.5 Ų145.571%0.71476%0.762SS**  trans-64.6130-172.525.1-31.7000110.2C200P198-C200 PolarHBondContact O-N 3.46Å
199V22.3Very low23.8Very low127 Ų127143.5 Ų143.577%0.7776%0.76SS**  trans-46.9102.7169.6178.10000109.3S197 R201S197-V199 PolarHBondContact O-N 3.44Å; V199-R201 VanDerWaalsContact C-N 3.29Å; V199-R201 HydrophobicContact CG1-CG 4.47Å; V199-R201 PolarHBondContact O-N 3.32Å
200C20.9Very low23.9Very low98 Ų98139.8 Ų139.866%0.66276%0.757SS**  trans-65.292.3170.1-820000108.9P198 H202P198-C200 PolarHBondContact O-N 3.46Å; C200-H202 VanDerWaalsContact C-N 3.32Å; C200-H202 PolarHBondContact O-N 3Å
201R19.8Very low24.1Very low217 Ų217137 Ų13782%0.81975%0.754SS**  trans-66.889.2166.2-72180171.4162.3-2.3108.5V199 T203V199-R201 VanDerWaalsContact C-N 3.29Å; V199-R201 HydrophobicContact CG1-CG 4.47Å; V199-R201 PolarHBondContact O-N 3.32Å; R201-T203 VanDerWaalsContact C-N 3.34Å; R201-T203 PolarHBondContact O-N 2.89Å
202H24.6Very low24.2Very low171 Ų171135.3 Ų135.379%0.79276%0.758SS**  trans-94.970.5162.7-64.5-64.4000109.1C200C200-H202 VanDerWaalsContact C-N 3.32Å; C200-H202 PolarHBondContact O-N 3Å
203T22.1Very low24.3Very low121 Ų121133.8 Ų133.874%0.74276%0.758SS**  trans-92101.5160.5-20.20000105.8R201R201-T203 VanDerWaalsContact C-N 3.34Å; R201-T203 PolarHBondContact O-N 2.89Å
204A27.4Very low24.6Very low75 Ų75130 Ų13062%0.6276%0.759SS**  trans-59.6130.9166.400000107.3N206A204-N206 PolarHBondContact O-N 2.84Å
205P33.1Very low24.8Very low130 Ų130126 Ų12684%0.84476%0.759SS**SBendtrans-63.5-16.2-167.9-23.233000114.6
206N32Very low24.7Very low133 Ų133126.9 Ų126.971%0.71176%0.76SS**SBendtrans-129.8108.5-178.3-51.4-9.4000106.6A204 S208A204-N206 PolarHBondContact O-N 2.84Å; N206-S208 PolarHBondContact O-N 3.11Å
207G24.7Very low24.8Very low92 Ų92125 Ų12595%0.94876%0.759SS**  trans-66.954.7-174.900000115.2
208S22.4Very low24.8Very low87 Ų87131.1 Ų131.161%0.60877%0.767SS**  trans-102.1104.4179.4169.20000109.8N206 L210N206-S208 PolarHBondContact O-N 3.11Å; S208-L210 PolarHBondContact O-N 2.93Å
209L24.4Very low24.8Very low162 Ų162132 Ų13285%0.84877%0.771SS**  trans-64.7109.2162.3-83.1156.3000108.3I211L209-I211 VanDerWaalsContact C-N 3.33Å; L209-I211 PolarHBondContact O-N 2.96Å
210L23.8Very low24.8Very low157 Ų157132.3 Ų132.382%0.82277%0.772SS**  trans-69.892.8170.1-69.6169.7000108.2S208 S212S208-L210 PolarHBondContact O-N 2.93Å; L210-S212 PolarHBondContact O-N 3.28Å
211I25.4Very low24.9Very low155 Ų155132.2 Ų132.280%0.79577%0.772SS**  trans-78.299.5165.8-59.6170000105.5L209 D213L209-I211 VanDerWaalsContact C-N 3.33Å; L209-I211 PolarHBondContact O-N 2.96Å; I211-D213 PolarHBondContact O-N 2.87Å
212S22.8Very low25.1Very low108 Ų108131.3 Ų131.376%0.75578%0.778SS**  trans-63.9116.2173-570000109.5L210L210-S212 PolarHBondContact O-N 3.28Å
213D22.7Very low25Very low133 Ų133129.2 Ų129.271%0.71178%0.777SS**  trans-69121.7178.2-161.8-1.6000110.4I211 S215I211-D213 PolarHBondContact O-N 2.87Å; D213-S215 PolarHBondContact O-N 2.77Å
214P30.2Very low25.3Very low120 Ų120129 Ų12978%0.77978%0.78SS**  trans-82.964.6178.433.9-33.8000111.1S216P214-S216 VanDerWaalsContact C-N 3.32Å; P214-S216 PolarHBondContact O-N 2.85Å; P214-S216 VanDerWaalsContact O-N 3.17Å
215S25.1Very low25.5Very low107 Ų107130.2 Ų130.275%0.74878%0.784SS**  trans-84.474.4166.265.50000109.9D213D213-S215 PolarHBondContact O-N 2.77Å
216S25.8Very low25.3Very low107 Ų107133 Ų13375%0.74878%0.783SS**  trans-136.791.6164.7-165.80000110P214 R218P214-S216 VanDerWaalsContact C-N 3.32Å; P214-S216 PolarHBondContact O-N 2.85Å; P214-S216 VanDerWaalsContact O-N 3.17Å; S216-R218 PolarHBondContact O-N 2.87Å
217S23.8Very low25.4Very low117 Ų117132.9 Ų132.982%0.81879%0.789SS**  trans-65.489.2172.355.20000110V219S217-V219 PolarHBondContact O-N 3.4Å
218R23.3Very low25.8Very low226 Ų226135.8 Ų135.885%0.85378%0.783SS**  trans-91.9102.4167.7-152173.5-151.3-164.94.6109.1S216 V220S216-R218 PolarHBondContact O-N 2.87Å; R218-V220 PolarHBondContact O-N 3.28Å
219V23.2Very low26Very low130 Ų130140.5 Ų140.579%0.78880%0.795SS**  trans-51.6103.9170.5179.20000108.6S217S217-V219 PolarHBondContact O-N 3.4Å
220V23.5Very low26.3Very low133 Ų133140.3 Ų140.381%0.80679%0.794SS**  trans-83.9114.3168.9179.50000106.8R218 Q222R218-V220 PolarHBondContact O-N 3.28Å; V220-Q222 PolarHBondContact O-N 3.34Å
221S23.5Very low26.6Very low95 Ų95138 Ų13866%0.66479%0.788SS**  trans-53.4125.7175.9-55.60000110.7V223S221-V223 PolarHBondContact O-N 2.94Å
222Q22.7Very low26.8Very low199 Ų199139 Ų13993%0.9379%0.789SS**  trans-60.1103.3171.7-77.3-178.4-36.200109.5V220 S224V220-Q222 PolarHBondContact O-N 3.34Å; Q222-S224 PolarHBondContact O-N 3.33Å
223V24.1Very low27.1Very low127 Ų127141.6 Ų141.677%0.7779%0.794SS**  trans-78.5102.2165.91790000106.9S221 S225S221-V223 PolarHBondContact O-N 2.94Å; V223-S225 PolarHBondContact O-N 3Å
224S27.3Very low27.4Very low116 Ų116144.2 Ų144.281%0.81180%0.799SS**  trans-65.493.3169.5154.50000109.4Q222Q222-S224 PolarHBondContact O-N 3.33Å
225S30.8Very low27.4Very low100 Ų100146 Ų14670%0.69980%0.801SS**  trans-102.4122.5165.549.80000109.7V223V223-S225 PolarHBondContact O-N 3Å
226K30.5Very low27.9Very low189 Ų189145.6 Ų145.682%0.82280%0.796SS**  trans-64.5137172.7-78.2176.3176.3173.80108.9N228K226-N228 PolarHBondContact O-N 3.18Å
227P34.2Very low28.3Very low130 Ų130150.1 Ų150.184%0.84481%0.805SS**THydrogen-bonded Turntrans-77.322.5-165.230.1-36.1000116
228N31.4Very low28.7Very low154 Ų154149.4 Ų149.482%0.82480%0.8SS**THydrogen-bonded Turntrans-133.414-168.5-104-7.5000117.4K226K226-N228 PolarHBondContact O-N 3.18Å
229E27.5Very low29.2Very low185 Ų185145.8 Ų145.886%0.86480%0.797SS**  trans-110.299.6169.9-81178.5167.400110.1P231E229-P231 WeakPolarHBondContact O-CD 3.46Å
230I30.3Very low29.7Very low159 Ų159144.9 Ų144.982%0.81579%0.793SS**  trans-68.2118.5161.5-62.9166.8000105.5E232I230-E232 PolarHBondContact O-N 2.96Å
231P30.6Very low30Very low107 Ų107147.2 Ų147.270%0.69580%0.795SS**  trans-64.8111.7178.8-14.927.6000109.2E229 L233E229-P231 WeakPolarHBondContact O-CD 3.46Å; P231-L233 PolarHBondContact O-N 3.26Å
232E29.2Very low30.4Very low176 Ų176149.9 Ų149.982%0.82280%0.801SS**  trans-6598.2166.1-80.1-174.2161.500108.3I230 K234I230-E232 PolarHBondContact O-N 2.96Å; E232-K234 VanDerWaalsContact C-N 3.33Å; E232-K234 PolarHBondContact O-N 3.12Å
233L29.3Very low30.8Very low164 Ų164149.6 Ų149.686%0.85980%0.8SS**  trans-6791.2172.4-76161.7000108.9P231 L235P231-L233 PolarHBondContact O-N 3.26Å; L233-L235 PolarHBondContact O-N 2.96Å; L233-L235 VanDerWaalsContact O-N 3.13Å
234K29.3Very low31Very low188 Ų188147 Ų14782%0.81780%0.8SS**  trans-65.5108.2164.6-76.5-177.8177.6178.90108.4E232E232-K234 VanDerWaalsContact C-N 3.33Å; E232-K234 PolarHBondContact O-N 3.12Å
235L29.7Very low31.1Very low156 Ų156147.8 Ų147.882%0.81779%0.793SS**  trans-59.5130.8167.4-97.6126.3000108.8L233 E237L233-L235 PolarHBondContact O-N 2.96Å; L233-L235 VanDerWaalsContact O-N 3.13Å; L235-E237 PolarHBondContact O-N 3.34Å
236P35.2Very low31.2Very low99 Ų99146.9 Ų146.964%0.64379%0.792SS**  trans-66.1118.1176.724.3-30.6000110.1S238P236-S238 PolarHBondContact O-N 3.23Å
237E34.7Very low31.2Very low203 Ų203143.5 Ų143.595%0.94979%0.792SS**SBendtrans-68.67-178.7-89.9179.5161.400115.1L235L235-E237 PolarHBondContact O-N 3.34Å
238S32.1Very low31.1Very low101 Ų101145.5 Ų145.571%0.70679%0.787SS**  trans-134.775-17665.70000111.2P236P236-S238 PolarHBondContact O-N 3.23Å
239L33.1Very low31.2Very low151 Ų151143.8 Ų143.879%0.79178%0.784SS**  trans-74.8126.9155.3-76.8170.1000107.3H241L239-H241 PolarHBondContact O-N 3.28Å
240P33.6Very low31.4Very low110 Ų110144.9 Ų144.971%0.71479%0.787SS**  trans-57.3125.3-179.921.9-30.8000109.2L242P240-L242 PolarHBondContact O-N 2.92Å
241H30.2Very low31.5Very low183 Ų183145.4 Ų145.485%0.84779%0.786SS**  trans-50.6104.1170.4-69.8-85.8000108.4L239 E243L239-H241 PolarHBondContact O-N 3.28Å; H241-E243 PolarHBondContact O-N 3.25Å
242L31.8Very low31.6Very low150 Ų150147 Ų14779%0.78579%0.793SS**  trans-69.884.9167.6-79.9164.4000107.1P240 G244P240-L242 PolarHBondContact O-N 2.92Å; L242-G244 PolarHBondContact O-N 2.85Å; L242-G244 VanDerWaalsContact O-N 3.13Å
243E31Very low31.6Very low193 Ų193142.1 Ų142.190%0.90278%0.779SS**THydrogen-bonded Turntrans-53.9109.9158.7-80.2176.9151.700107.5H241H241-E243 PolarHBondContact O-N 3.25Å
244G28.1Very low31.8Very low74 Ų74140.8 Ų140.876%0.76378%0.777SS**THydrogen-bonded Turntrans153.2-17.7177.600000115.1L242 A246L242-G244 PolarHBondContact O-N 2.85Å; L242-G244 VanDerWaalsContact O-N 3.13Å; G244-A246 VanDerWaalsContact C-N 3.26Å; G244-A246 PolarHBondContact O-N 3.19Å
245I30.8Very low31.8Very low132 Ų132138.1 Ų138.168%0.67777%0.772SS**SBendtrans-82.288166.8-45.2177.4000106.7S247 F248I245-S247 PolarHBondContact O-N 3.36Å; I245-F248 HydrophobicContact CG2-CE2 4.07Å
246A32.1Very low31.6Very low81 Ų81136 Ų13667%0.66977%0.77SS**  trans-38.4125.517400000110.8G244 F248G244-A246 VanDerWaalsContact C-N 3.26Å; G244-A246 PolarHBondContact O-N 3.19Å; A246-F248 PolarHBondContact O-N 2.92Å
247S30.3Very low31.2Very low117 Ų117137.5 Ų137.582%0.81878%0.777SS**  trans-40.7109.7174.2-58.80000111.2I245I245-S247 PolarHBondContact O-N 3.36Å
248F32.2Very low30.9Very low173 Ų173136.6 Ų136.676%0.75977%0.77SS**  trans-61.1129.2163.8-70.9-84.6000107.9I245 A246 K250I245-F248 HydrophobicContact CG2-CE2 4.07Å; A246-F248 PolarHBondContact O-N 2.92Å; F248-K250 PolarHBondContact O-N 2.82Å
249P34.5Very low30.8Very low117 Ų117140.8 Ų140.876%0.7678%0.779SS**  trans-61.9115176.423.4-30.1000109.1E251P249-E251 PolarHBondContact O-N 3.08Å
250K30.5Very low30.5Very low209 Ų209142 Ų14291%0.90978%0.78SS**  trans-70.775.7166-89.5177.9171.3175.50108.5F248F248-K250 PolarHBondContact O-N 2.82Å
251E32.8Very low30.2Very low170 Ų170144.3 Ų144.379%0.79479%0.786SS**  trans-123.580.2162.4-69.9-157.1177.600109.2P249 S253P249-E251 PolarHBondContact O-N 3.08Å; E251-S253 PolarHBondContact O-N 3.44Å
252T32.2Very low30.2Very low139 Ų139141.8 Ų141.885%0.85378%0.784SS**  trans-6974.6152.948.40000107.8T254T252-T254 PolarHBondContact O-N 2.91Å
253S31Very low30Very low75 Ų75143 Ų14352%0.52479%0.785SS.*  trans-79.7108.4164175.80000107.5E251 N255E251-S253 PolarHBondContact O-N 3.44Å; S253-N255 PolarHBondContact O-N 3.43Å
254T32Very low30Very low135 Ų135139 Ų13983%0.82878%0.779SS**  trans-64.976.5169.547.20000109.6T252 S256T252-T254 PolarHBondContact O-N 2.91Å; T254-S256 VanDerWaalsContact C-N 3.33Å; T254-S256 PolarHBondContact O-N 3.34Å; T254-S256 VanDerWaalsContact O-N 3.08Å
255N29.1Very low30Very low133 Ų133143.2 Ų143.271%0.71178%0.784SS**  trans-7894.6164.3-76.2-24.8000107.7S253 V257S253-N255 PolarHBondContact O-N 3.43Å; N255-V257 PolarHBondContact O-N 3.3Å
256S26.7Very low29.9Very low110 Ų110145.1 Ų145.177%0.76979%0.79SS**  trans-49.799158.9-178.20000108.4T254 K258T254-S256 VanDerWaalsContact C-N 3.33Å; T254-S256 PolarHBondContact O-N 3.34Å; T254-S256 VanDerWaalsContact O-N 3.08Å; S256-K258 PolarHBondContact O-N 3.19Å; S256-K258 VanDerWaalsContact O-N 3.11Å
257V26.5Very low29.9Very low131 Ų131149.2 Ų149.279%0.79480%0.8SS**  trans-75.199.9170178.70000105.7N255 E259N255-V257 PolarHBondContact O-N 3.3Å; V257-E259 PolarHBondContact O-N 3.16Å
258K29.4Very low29.8Very low185 Ų185149 Ų14980%0.80479%0.794SS**  trans-53.9123.5162.4-91.6175.6168.1179.80107.8S256 E260S256-K258 PolarHBondContact O-N 3.19Å; S256-K258 VanDerWaalsContact O-N 3.11Å; K258-E260 PolarHBondContact O-N 3.44Å
259E28.1Very low29.7Very low188 Ų188150.6 Ų150.688%0.87980%0.801SS**  trans-55.8100.9160.1-77.1175.4136.500107.9V257 L261V257-E259 PolarHBondContact O-N 3.16Å; E259-L261 PolarHBondContact O-N 3.35Å
260E28.2Very low29.3Very low176 Ų176152.6 Ų152.682%0.82280%0.8SS**  trans-84.898.4164.1-160170.2150.600106.2K258 T262K258-E260 PolarHBondContact O-N 3.44Å; E260-T262 VanDerWaalsContact C-N 3.3Å; E260-T262 PolarHBondContact O-N 3.43Å
261L26.5Very low29.4Very low160 Ų160148.2 Ų148.284%0.83880%0.796SS**  trans-63.890.1174-153.788.6000107.4E259 Q263E259-L261 PolarHBondContact O-N 3.35Å; L261-Q263 PolarHBondContact O-N 3.12Å
262T29.5Very low29Very low130 Ų130143.6 Ų143.680%0.79879%0.794SS**  trans-69.1106.2170.633.10000108.3E260E260-T262 VanDerWaalsContact C-N 3.3Å; E260-T262 PolarHBondContact O-N 3.43Å
263Q29.2Very low28.6Very low175 Ų175142.6 Ų142.682%0.81879%0.792SS**  trans-62.7131.8177.7-156163.1-10.300109.4L261 D265L261-Q263 PolarHBondContact O-N 3.12Å; Q263-D265 PolarHBondContact O-N 2.88Å
264S29.4Very low28.6Very low109 Ų109144.7 Ų144.776%0.76281%0.807SS**  trans-43.2117.6176.145.40000114.7
265D27.9Very low28.1Very low163 Ų163141.8 Ų141.887%0.87280%0.804SS**  trans-88.693.9154.3-85.1-39000107.5Q263Q263-D265 PolarHBondContact O-N 2.88Å
266E29.7Very low28.1Very low171 Ų171140.1 Ų140.180%0.79981%0.809SS**  trans-162.3105.8148.9-78.5-139.315000107.5
267D32.3Very low28.1Very low167 Ų167139.7 Ų139.789%0.89381%0.806SS**  trans-148.1109.5143-96.4-36.5000108.4
268V27.7Very low28Very low112 Ų112143.3 Ų143.368%0.67981%0.811SS**  trans-66.8122.1171.6169.50000108.2E270V268-E270 HydrophobicContact CG1-CG 4.4Å
269F30.8Very low28.3Very low207 Ų207143.6 Ų143.691%0.90882%0.818SS**  trans-130.5104.8152.5-105-87.3000109.3
270E25.9Very low28.2Very low159 Ų159145.7 Ų145.774%0.74382%0.818SS**  trans-64.8165.4162.1-70.8-169.5134.100111.6V268V268-E270 HydrophobicContact CG1-CG 4.4Å
271S31.8Very low28.1Very low117 Ų117146.7 Ų146.782%0.81882%0.822SS**  trans87.8109153.3-51.30000118
272G25Very low28.1Very low74 Ų74143.6 Ų143.676%0.76381%0.814SS**  111.892.3125.600000117.1
273S24.9Very low28.2Very low117 Ų117143.4 Ų143.482%0.81882%0.815SS**  34.5105127.7179.80000118.4
274S29.2Very low28.3Very low120 Ų120141.1 Ų141.184%0.83981%0.813SS**  167.3135.6116.846.30000109.5
275G23Very low28.2Very low74 Ų74140.3 Ų140.376%0.76381%0.813SS**  trans-77.9166.918000000113.6
276A27.9Very low28.5Very low98 Ų98141.7 Ų141.781%0.8181%0.811SS**  trans94.7124.5154.200000119.4
277S28.1Very low28.5Very low101 Ų101142.6 Ų142.671%0.70682%0.816SS**  trans83.792.7150.475.50000118.8M279S277-M279 PolarHBondContact O-N 3.18Å
278F24.5Very low28.5Very low207 Ų207142 Ų14291%0.90881%0.812SS**  4.2106.4123-73.5-93.7000115.7
279M34.3Very low28.7Very low190 Ų190146.1 Ų146.194%0.93682%0.821SS**  trans-126.9134.6149.1-85.9-70.8174.900108.6S277S277-M279 PolarHBondContact O-N 3.18Å
280R26Very low29.1Very low233 Ų233142.2 Ų142.288%0.87982%0.816SS**  trans-117.6116.4-165.8169.1-164.9-163.5160.85106
281E26.3Very low29.5Very low197 Ų197143.1 Ų143.192%0.92182%0.823SS**  trans167.6144.8165.4-104164.1175.600106.9
282S26.6Very low29.8Very low95 Ų95145.8 Ų145.866%0.66482%0.822SS**  cis-164.7140.4-15.6176.30000102.8V284S282-V284 PolarHBondContact O-N 2.88Å; S282-V284 VanDerWaalsContact O-N 3.15Å
283P32.8Very low30.7Very low126 Ų126147.7 Ų147.782%0.81882%0.821SS**  trans-70.5111.5-172.127.2-32.5000111.3A285P283-A285 PolarHBondContact O-N 3.04Å
284V30.6Very low31.6Very low126 Ų126148.5 Ų148.576%0.76482%0.822SS**  trans-71.5122.5173.4177.30000108.9S282 F286S282-V284 PolarHBondContact O-N 2.88Å; S282-V284 VanDerWaalsContact O-N 3.15Å; V284-F286 PolarHBondContact O-N 3.17Å
285A27.9Very low32.2Very low93 Ų93150.2 Ų150.277%0.76982%0.82SS**  trans-60.9120.317700000110.9P283 E287P283-A285 PolarHBondContact O-N 3.04Å; A285-E287 PolarHBondContact O-N 3.06Å
286F33Very low33.8Very low191 Ų191152.2 Ų152.284%0.83882%0.82SS**  trans-78.4111.6169.8-89-93000109.4V284 N288V284-F286 PolarHBondContact O-N 3.17Å; F286-N288 PolarHBondContact O-N 3.31Å
287E30.8Very low34.9Very low191 Ų191151.9 Ų151.989%0.89382%0.817SS**  trans-72.7113.1171.1-162.7179.6172.100109A285 K289A285-E287 PolarHBondContact O-N 3.06Å; E287-K289 PolarHBondContact O-N 2.96Å; E287-K289 VanDerWaalsContact O-N 3.1Å
288N31.1Very low36.3Very low153 Ų153152.7 Ų152.782%0.81882%0.82SS**  trans-67.8101-179.6-68.6-62.5000110.7F286F286-N288 PolarHBondContact O-N 3.31Å
289K32.1Very low38Very low200 Ų200148.3 Ų148.387%0.8781%0.812SS**  trans-84125.5162.7-108.9176.2-179173.40109.5E287 M291E287-K289 PolarHBondContact O-N 2.96Å; E287-K289 VanDerWaalsContact O-N 3.1Å; K289-M291 PolarHBondContact O-N 3.11Å
290P40.1Very low39.2Very low124 Ų124144.8 Ų144.881%0.80580%0.803SS**  trans-66.3121.6-179.724.8-31.2000110.3E292P290-E292 PolarHBondContact O-N 3.48Å
291M34.6Very low41.1Very low179 Ų179139.4 Ų139.488%0.88280%0.799SS**  trans-68.4112.8175-156.5100.886.200108.4K289K289-M291 PolarHBondContact O-N 3.11Å
292E36.7Very low42.8Very low172 Ų172135.6 Ų135.680%0.80479%0.791SS**  trans-60.4134.6172.4-161.9173.9155.300109.2P290 T294P290-E292 PolarHBondContact O-N 3.48Å; E292-T294 PolarHBondContact O-N 2.96Å
293P44Very low44.4Very low114 Ų114136.3 Ų136.374%0.7479%0.793SS**  trans-66.6110.8-173.825.3-32.3000109.8L295P293-L295 PolarHBondContact O-N 3.2Å
294T43.2Very low45.3Very low135 Ų135136 Ų13683%0.82879%0.792SS**  trans-57.1110.5172.5-47.90000108.6E292E292-T294 PolarHBondContact O-N 2.96Å
295L43.5Very low46Very low155 Ų155136.5 Ų136.581%0.81279%0.794SS**PPolyproline II helixtrans-54.3140.4174.2-82162.7000109.7P293 A297P293-L295 PolarHBondContact O-N 3.2Å; L295-A297 PolarHBondContact O-N 2.96Å
296P56.4Low46.7Very low117 Ų117139.3 Ų139.376%0.7680%0.795SS**PPolyproline II helixtrans-60.3133.3-179.123.6-30.8000109.9
297A49.6Very low46.8Very low90 Ų90137.9 Ų137.974%0.74479%0.791SS**PPolyproline II helixtrans-53.6139.4178.500000110.8L295L295-A297 PolarHBondContact O-N 2.96Å
298P57.9Low47.2Very low118 Ų118134.1 Ų134.177%0.76679%0.786SS**PPolyproline II helixtrans-61.7143.3179.924.1-32.3000111.1
299P60.6Low47.3Very low116 Ų116134.1 Ų134.175%0.75379%0.786SS**PPolyproline II helixtrans-64149.9179.525.6-33.2000111.7
300P60.4Low47.6Very low115 Ų115129.7 Ų129.775%0.74778%0.78SS**PPolyproline II helixtrans-63149.5-179.724.5-32.9000112.3
301P64.4Low47.2Very low121 Ų121129 Ų12979%0.78677%0.774SS**PPolyproline II helixtrans-64.3143.6-177.924.7-32.8000112.2
302P62.9Low47.3Very low117 Ų117126.3 Ų126.376%0.7677%0.77SS**PPolyproline II helixtrans-65.9147.9178.326-32.7000111.8
303P60.2Low47.1Very low109 Ų109124.7 Ų124.771%0.70877%0.766SS**PPolyproline II helixtrans-62150.1178.425.4-33.3000111.6V305P303-V305 PolarHBondContact O-N 3.47Å
304P52.2Low46.7Very low121 Ų121124.9 Ų124.979%0.78677%0.767SS**PPolyproline II helixtrans-58.4123.4-177.623-32.5000110.6I306P304-I306 PolarHBondContact O-N 3.46Å
305V44.5Very low46.4Very low135 Ų135126.7 Ų126.782%0.81877%0.768SS**  trans-69.3103.7174.4-170.60000106.7P303 E307P303-V305 PolarHBondContact O-N 3.47Å; V305-E307 PolarHBondContact O-N 3.13Å
306I41.8Very low46Very low153 Ų153124.5 Ų124.579%0.78577%0.766SS**  trans-68107171.4-61.2167.9000106P304 S308P304-I306 PolarHBondContact O-N 3.46Å; I306-S308 PolarHBondContact O-N 3.35Å
307E36.4Very low45.2Very low160 Ų160123.5 Ų123.575%0.74876%0.761SS**  trans-53.6122.4174.8-75-174.3154.100109.2V305 N309V305-E307 PolarHBondContact O-N 3.13Å; E307-N309 PolarHBondContact O-N 2.88Å
308S38.8Very low44.9Very low113 Ų113124.5 Ų124.579%0.7976%0.761SS**  trans-69.880.2178.8-600000109.3I306 S310I306-S308 PolarHBondContact O-N 3.35Å; S308-S310 VanDerWaalsContact C-N 3.29Å; S308-S310 PolarHBondContact O-N 3.45Å
309N33.9Very low44.2Very low152 Ų152122.6 Ų122.681%0.81375%0.75SS**  trans-70.296.4166.2-90.9-13.5000108.7E307 T311E307-N309 PolarHBondContact O-N 2.88Å; N309-T311 PolarHBondContact O-N 2.86Å
310S36.7Very low43.3Very low107 Ų107126.8 Ų126.875%0.74875%0.751SS**  trans-67.496.2169.7430000109.7S308S308-S310 VanDerWaalsContact C-N 3.29Å; S308-S310 PolarHBondContact O-N 3.45Å
311T32.6Very low42.8Very low109 Ų109126.5 Ų126.567%0.66975%0.747SS**  trans-151.4109.9144.8-44.60000108.5N309 L313N309-T311 PolarHBondContact O-N 2.86Å; T311-L313 VanDerWaalsContact C-N 3.27Å; T311-L313 PolarHBondContact O-N 3.21Å
312P36.6Very low42.1Very low123 Ų123125.8 Ų125.880%0.79974%0.736SS**  trans-70.390.2170.928.7-30.3000107.7P314P312-P314 WeakPolarHBondContact O-CD 3.38Å
313L33.6Very low41.3Very low139 Ų139125.7 Ų125.773%0.72873%0.729SS**  trans-65123161-85.8110.1000106.8T311 M315T311-L313 VanDerWaalsContact C-N 3.27Å; T311-L313 PolarHBondContact O-N 3.21Å; L313-M315 PolarHBondContact O-N 3.26Å
314P35.2Very low40.7Very low118 Ų118125.8 Ų125.877%0.76672%0.721SS**  trans-66.691.2170.628.2-31.4000106.9P312 S316P312-P314 WeakPolarHBondContact O-CD 3.38Å; P314-S316 PolarHBondContact O-N 3.44Å
315M35.7Very low40.8Very low173 Ų173122.2 Ų122.285%0.85270%0.702SS**  trans-6789.2159.5-66.4-142.58500105.5L313 S317L313-M315 PolarHBondContact O-N 3.26Å; M315-S317 PolarHBondContact O-N 3.02Å
316S36.3Very low41.1Very low109 Ų109118.9 Ų118.976%0.76269%0.685SS**  trans-61.284.6161.758.80000106.6P314P314-S316 PolarHBondContact O-N 3.44Å
317S39.6Very low41.4Very low95 Ų95115.4 Ų115.466%0.66467%0.667SS**  trans-55129.9161.343.70000106.2M315 S319M315-S317 PolarHBondContact O-N 3.02Å; S317-S319 VanDerWaalsContact C-N 3.35Å; S317-S319 PolarHBondContact O-N 3.2Å
318P42.5Very low42.1Very low112 Ų112118 Ų11873%0.72767%0.67SS**  trans-55.4104.2-178.420.8-31000107.6R320P318-R320 PolarHBondContact O-N 2.94Å
319S43Very low42.9Very low78 Ų78121 Ų12155%0.54567%0.671SS.*  trans-61.5135.9-171.273.50000107.4S317 V321 D322S317-S319 VanDerWaalsContact C-N 3.35Å; S317-S319 PolarHBondContact O-N 3.2Å; S319-V321 PolarHBondContact O-N 2.96Å; S319-D322 WeakPolarHBondContact O-CB 3.43Å; S319-D322 PolarHBondContact O-N 3.07Å
320R41.4Very low43.8Very low203 Ų203117.2 Ų117.277%0.76666%0.662SS**THydrogen-bonded Turntrans-34.3-21.5177.3-179179.5169.2127.1-1.3116.9P318 D322P318-R320 PolarHBondContact O-N 2.94Å; R320-D322 PolarHBondContact O-N 3.35Å
321V49.9Very low43.8Very low110 Ų110113.5 Ų113.567%0.66764%0.64SS**Hα-helixtrans-59.5-36.7171.8-170.80000111.4S319 M324 A325S319-V321 PolarHBondContact O-N 2.96Å; V321-M324 PolarHBondContact O-N 2.89Å; V321-A325 WeakPolarHBondContact O-CB 3.42Å; V321-A325 PolarHBondContact O-N 3.22Å
322D51.2Low44.1Very low105 Ų105110.1 Ų110.156%0.56163%0.626SS**Hα-helixtrans-72.2-34.5-176-150.111.1000112.4S319 R320 A325 S326S319-D322 WeakPolarHBondContact O-CB 3.43Å; S319-D322 PolarHBondContact O-N 3.07Å; R320-D322 PolarHBondContact O-N 3.35Å; D322-A325 PolarHBondContact O-N 3.19Å; D322-S326 WeakPolarHBondContact O-CB 3.42Å; D322-S326 PolarHBondContact O-N 2.98Å
323L45.6Very low44.4Very low115 Ų115111.4 Ų111.460%0.60263%0.625SS**Hα-helixtrans-67.6-41.9175.9-167.880.9000111.8S326 I327L323-S326 PolarHBondContact O-N 2.82Å; L323-I327 HydrophobicContact CD2-CD1 4.34Å; L323-I327 HydrophobicContact CG-CD1 4.03Å; L323-I327 WeakPolarHBondContact O-CB 3.46Å; L323-I327 WeakPolarHBondContact O-CD1 3.46Å; L323-I327 VanDerWaalsContact O-CG1 3.24Å; L323-I327 WeakPolarHBondContact O-CG1 3.49Å; L323-I327 PolarHBondContact O-N 3.46Å
324M46.8Very low44.8Very low111 Ų111113.3 Ų113.355%0.54763%0.63SS.*Hα-helixtrans-70-35.3178.1-76.4-8494.700111.9V321 I327 R328V321-M324 PolarHBondContact O-N 2.89Å; M324-I327 HydrophobicContact CE-CD1 3.71Å; M324-R328 WeakPolarHBondContact O-CB 3.42Å; M324-R328 PolarHBondContact O-N 3.26Å; M324-R328 VanDerWaalsContact O-N 3.15Å
325A54.3Low45.1Very low47 Ų47118 Ų11839%0.38863%0.633SS.*Hα-helixtrans-64.8-47.7171.300000110.7V321 D322 I327 R328 E329V321-A325 WeakPolarHBondContact O-CB 3.42Å; V321-A325 PolarHBondContact O-N 3.22Å; D322-A325 PolarHBondContact O-N 3.19Å; A325-I327 PolarHBondContact O-N 3.27Å; A325-R328 CarbonylContact O-C 3.57Å; A325-R328 WeakPolarHBondContact O-CB 3.34Å; A325-R328 PolarHBondContact O-N 3.44Å; A325-R328 VanDerWaalsContact O-N 3.07Å; A325-E329 WeakPolarHBondContact O-CB 3.35Å; A325-E329 PolarHBondContact O-N 3.27Å
326S50.7Low45.4Very low65 Ų65118.3 Ų118.346%0.45563%0.63SS.*Hα-helixtrans-60.6-40.7177.8-176.40000112.8D322 L323 R328 E329 A330D322-S326 WeakPolarHBondContact O-CB 3.42Å; D322-S326 PolarHBondContact O-N 2.98Å; L323-S326 PolarHBondContact O-N 2.82Å; S326-R328 VanDerWaalsContact C-N 3.31Å; S326-R328 PolarHBondContact O-N 3.21Å; S326-E329 PolarHBondContact O-N 3.18Å; S326-A330 WeakPolarHBondContact O-CA 3.48Å; S326-A330 WeakPolarHBondContact O-CB 3.43Å; S326-A330 PolarHBondContact O-N 2.81Å
327I48.9Very low45.6Very low80 Ų80122.2 Ų122.241%0.4163%0.633SS.*Hα-helixtrans-66.8-35.2175.4-68.5163.5000111.3L323 M324 A325 G332L323-I327 HydrophobicContact CD2-CD1 4.34Å; L323-I327 HydrophobicContact CG-CD1 4.03Å; L323-I327 WeakPolarHBondContact O-CB 3.46Å; L323-I327 WeakPolarHBondContact O-CD1 3.46Å; L323-I327 VanDerWaalsContact O-CG1 3.24Å; L323-I327 WeakPolarHBondContact O-CG1 3.49Å; L323-I327 PolarHBondContact O-N 3.46Å; M324-I327 HydrophobicContact CE-CD1 3.71Å; A325-I327 PolarHBondContact O-N 3.27Å; I327-G332 WeakPolarHBondContact O-CA 3.49Å; I327-G332 PolarHBondContact O-N 2.86Å
328R50.3Low45.7Very low213 Ų213126.8 Ų126.880%0.80464%0.641SS**Hα-helixtrans-73-41.4177.7-161.1-177.9-62.6-148.41111.4M324 A325 S326 G331M324-R328 WeakPolarHBondContact O-CB 3.42Å; M324-R328 PolarHBondContact O-N 3.26Å; M324-R328 VanDerWaalsContact O-N 3.15Å; A325-R328 CarbonylContact O-C 3.57Å; A325-R328 WeakPolarHBondContact O-CB 3.34Å; A325-R328 PolarHBondContact O-N 3.44Å; A325-R328 VanDerWaalsContact O-N 3.07Å; S326-R328 VanDerWaalsContact C-N 3.31Å; S326-R328 PolarHBondContact O-N 3.21Å; R328-G331 PolarHBondContact O-N 3.08Å
329E56.2Low45.4Very low177 Ų177130.4 Ų130.483%0.82765%0.646SS**Hα-helixtrans-72.7-33.5178.1-159.5174.7-154.200111.9A325 S326 G331A325-E329 WeakPolarHBondContact O-CB 3.35Å; A325-E329 PolarHBondContact O-N 3.27Å; S326-E329 PolarHBondContact O-N 3.18Å; E329-G331 PolarHBondContact O-N 3Å
330A52.3Low45.3Very low73 Ų73131.2 Ų131.260%0.60365%0.651SS**THydrogen-bonded Turntrans-72.18.4172.100000113.8S326S326-A330 WeakPolarHBondContact O-CA 3.48Å; S326-A330 WeakPolarHBondContact O-CB 3.43Å; S326-A330 PolarHBondContact O-N 2.81Å
331G36.8Very low45Very low29 Ų29132 Ų13230%0.29965%0.654SS.*THydrogen-bonded Turntrans65.444.8175.700000112.5R328 E329 I333R328-G331 PolarHBondContact O-N 3.08Å; E329-G331 PolarHBondContact O-N 3Å; G331-I333 PolarHBondContact O-N 2.91Å
332G38.4Very low44.3Very low37 Ų37134.6 Ų134.638%0.38166%0.659SS.*THydrogen-bonded Turntrans-41.2127.1176.100000112.7I327 E334I327-G332 WeakPolarHBondContact O-CA 3.49Å; I327-G332 PolarHBondContact O-N 2.86Å; G332-E334 VanDerWaalsContact C-N 3.26Å; G332-E334 PolarHBondContact O-N 2.84Å
333I43Very low43.7Very low151 Ų151137.1 Ų137.177%0.77467%0.667SS**THydrogen-bonded Turntrans73.4-37.5171.6-54.8169.9000115.9G331 R335 F336G331-I333 PolarHBondContact O-N 2.91Å; I333-R335 VanDerWaalsContact C-N 3.27Å; I333-R335 PolarHBondContact O-N 3.41Å; I333-F336 PolarHBondContact O-N 3.24Å
334E43.7Very low43.2Very low179 Ų179136.6 Ų136.684%0.83667%0.669SS**THydrogen-bonded Turntrans-67.9-24.7-177.2-72.5-163.8172.500114G332G332-E334 VanDerWaalsContact C-N 3.26Å; G332-E334 PolarHBondContact O-N 2.84Å
335R40.6Very low42.8Very low216 Ų216140.5 Ų140.582%0.81568%0.683SS**THydrogen-bonded Turntrans-81.8-11.4179.5-69.9-173.2172.6-128.60.3114.7I333 K337I333-R335 VanDerWaalsContact C-N 3.27Å; I333-R335 PolarHBondContact O-N 3.41Å; R335-K337 PolarHBondContact O-N 3.24Å
336F41.5Very low42.2Very low180 Ų180144.7 Ų144.779%0.78970%0.698SS**  trans-80.775.3172-71.5-81.6000109.2I333 F338I333-F336 PolarHBondContact O-N 3.24Å; F336-F338 PolarHBondContact O-N 3.45Å
337K41.8Very low41.4Very low191 Ų191151.4 Ų151.483%0.8371%0.713SS**  trans-63.883.6161.5-71.5-165.7179.2-174.60107.8R335 K339R335-K337 PolarHBondContact O-N 3.24Å; K337-K339 PolarHBondContact O-N 3.27Å
338F40Very low40.9Very low191 Ų191155.2 Ų155.284%0.83873%0.734SS**  trans-61.596.2165.5-147.1-95.6000105.1F336 S340F336-F338 PolarHBondContact O-N 3.45Å; F338-S340 PolarHBondContact O-N 2.86Å
339K37.9Very low40.5Very low188 Ų188149 Ų14982%0.81772%0.723SS**  trans-58.898.5166.2-78.8-174.8176.4-1800104.3K337 R341K337-K339 PolarHBondContact O-N 3.27Å; K339-R341 VanDerWaalsContact C-N 3.26Å; K339-R341 PolarHBondContact O-N 3.18Å
340S39.1Very low39.8Very low95 Ų95149 Ų14966%0.66472%0.723SS**  trans-57.6102.6170.761.80000105F338 Q342F338-S340 PolarHBondContact O-N 2.86Å; S340-Q342 PolarHBondContact O-N 2.88Å
341R36.2Very low39.6Very low220 Ų220147.4 Ų147.483%0.8371%0.708SS**  trans-56.7115.1168.3-82.5-177.4168.5-155.7-1.7103.7K339 H343K339-R341 VanDerWaalsContact C-N 3.26Å; K339-R341 PolarHBondContact O-N 3.18Å; R341-H343 PolarHBondContact O-CD2 2.86Å; R341-H343 PolarHBondContact O-N 3.42Å
342Q35.1Very low40.7Very low164 Ų164151.3 Ų151.377%0.76674%0.737SS**  trans-52.8104.3179.4-72.2-163.4-20.500108.3S340 T344S340-Q342 PolarHBondContact O-N 2.88Å; Q342-T344 PolarHBondContact O-N 3.48Å
343H37.7Very low41.6Very low158 Ų158153.9 Ų153.973%0.73174%0.742SS**G310 helixtrans-7010.7175.1-80-90.6000111.9R341 K345R341-H343 PolarHBondContact O-CD2 2.86Å; R341-H343 PolarHBondContact O-N 3.42Å; H343-K345 VanDerWaalsContact C-N 3.27Å; H343-K345 PolarHBondContact O-N 3.42Å
344T35.3Very low42.1Very low104 Ų104150.8 Ų150.864%0.63873%0.732SS**G310 helixtrans-76-7.6-179.444.90000114Q342Q342-T344 PolarHBondContact O-N 3.48Å
345K38.2Very low43Very low193 Ų193147.4 Ų147.484%0.83972%0.723SS**G310 helixtrans-92.1-6.2176.1-80.6-170.7176.4-1760116.2H343H343-K345 VanDerWaalsContact C-N 3.27Å; H343-K345 PolarHBondContact O-N 3.42Å
346L43.2Very low44.1Very low134 Ų134138.3 Ų138.370%0.70270%0.696SS**SBendtrans-101.64.2179.5-74.7170.6000114.5N348L346-N348 VanDerWaalsContact C-N 3.29Å; L346-N348 PolarHBondContact O-N 2.86Å
347R33.4Very low45.5Very low206 Ų206134.9 Ų134.978%0.77768%0.683SS**THydrogen-bonded Turntrans-80.6-3.7-179.5-146.3176.5-177.9170.11.3114.5
348N37.5Very low46.7Very low160 Ų160131.2 Ų131.286%0.85667%0.672SS**THydrogen-bonded Turntrans-113.49.3-171.3-76.915.8000115.9L346L346-N348 VanDerWaalsContact C-N 3.29Å; L346-N348 PolarHBondContact O-N 2.86Å
349S41.9Very low48.3Very low82 Ų82129.9 Ų129.957%0.57367%0.666SS**  trans-116.569.8167.453.10000109S351S349-S351 PolarHBondContact O-N 2.95Å
350H43Very low50.1Low178 Ų178125.5 Ų125.582%0.82466%0.655SS**  trans-66.680.4153.4-76.8-42.1000107
351S47.5Very low51.9Low40 Ų40123.6 Ų123.628%0.2865%0.645SS.*  trans-67.6131.6162.358.20000107.1S349 D353 E357S349-S351 PolarHBondContact O-N 2.95Å; S351-D353 PolarHBondContact O-N 3.49Å; S351-D353 VanDerWaalsContact O-N 3.11Å; S351-E357 VanDerWaalsContact CB-CD 3.48Å; S351-E357 WeakPolarHBondContact CB-OE1 3.49Å; S351-E357 VanDerWaalsContact OG-CD 3.24Å; S351-E357 PolarHBondContact OG-OE1 3.48Å; S351-E357 PolarHBondContact OG-OE2 3.48Å
352A58.8Low53.8Low111 Ų111119.3 Ų119.392%0.91764%0.636SS**SBendtrans-68.5-8-172.700000113.4
353D57.2Low55.9Low90 Ų90115.5 Ų115.548%0.48162%0.618SS.*  trans-149.884.9179.1-169.4-1.3000111.9S351 V355 G356 E357S351-D353 PolarHBondContact O-N 3.49Å; S351-D353 VanDerWaalsContact O-N 3.11Å; D353-V355 PolarHBondContact O-N 2.78Å; D353-V355 WeakPolarHBondContact OD1-CB 3.49Å; D353-V355 PolarHBondContact OD1-N 2.86Å; D353-V355 VanDerWaalsContact OD1-N 3.14Å; D353-G356 VanDerWaalsContact CG-N 3.34Å; D353-G356 PolarHBondContact O-N 2.83Å; D353-G356 PolarHBondContact OD1-N 2.78Å; D353-E357 PolarHBondContact O-N 3.49Å
354P54.6Low58Low87 Ų87114.3 Ų114.357%0.56561%0.611SS**Hα-helixtrans-62.7-22.5176.825.5-34000112.5L358P354-L358 PolarHBondContact O-N 2.69Å; P354-L358 VanDerWaalsContact O-N 3.15Å
355V61.9Low59.8Low107 Ų107117.2 Ų117.265%0.64861%0.61SS**Hα-helixtrans-77.7-41.4179.5-176.20000110.2D353 E357 L358 K359D353-V355 PolarHBondContact O-N 2.78Å; D353-V355 WeakPolarHBondContact OD1-CB 3.49Å; D353-V355 PolarHBondContact OD1-N 2.86Å; D353-V355 VanDerWaalsContact OD1-N 3.14Å; V355-E357 VanDerWaalsContact C-N 3.34Å; V355-E357 PolarHBondContact O-N 3.23Å; V355-L358 PolarHBondContact O-N 2.87Å; V355-K359 WeakPolarHBondContact O-CB 3.24Å; V355-K359 PolarHBondContact O-N 3.43Å
356G64.1Low61.5Low25 Ų25115.6 Ų115.626%0.25860%0.599SS.*Hα-helixtrans-60-41173.500000113.1D353 K359 T360D353-G356 VanDerWaalsContact CG-N 3.34Å; D353-G356 PolarHBondContact O-N 2.83Å; D353-G356 PolarHBondContact OD1-N 2.78Å; G356-K359 PolarHBondContact O-N 2.85Å; G356-T360 PolarHBondContact O-N 3.46Å; G356-T360 PolarHBondContact O-OG1 3.32Å
357E70.1Confident63Low109 Ų109115.1 Ų115.151%0.50959%0.591SS.*Hα-helixtrans-66.7-42.9175.2-73.5-177.4168.500112.3S351 D353 V355 K359 T360 A361S351-E357 VanDerWaalsContact CB-CD 3.48Å; S351-E357 WeakPolarHBondContact CB-OE1 3.49Å; S351-E357 VanDerWaalsContact OG-CD 3.24Å; S351-E357 PolarHBondContact OG-OE1 3.48Å; S351-E357 PolarHBondContact OG-OE2 3.48Å; D353-E357 PolarHBondContact O-N 3.49Å; V355-E357 VanDerWaalsContact C-N 3.34Å; V355-E357 PolarHBondContact O-N 3.23Å; E357-K359 VanDerWaalsContact C-N 3.33Å; E357-K359 PolarHBondContact O-N 3.43Å; E357-T360 VanDerWaalsContact CA-OG1 3.31Å; E357-T360 WeakPolarHBondContact CA-OG1 3.33Å; E357-T360 PolarHBondContact O-N 2.94Å; E357-T360 PolarHBondContact O-OG1 3.43Å; E357-A361 VanDerWaalsContact O-CB 3.25Å; E357-A361 WeakPolarHBondContact O-CB 3.33Å; E357-A361 PolarHBondContact O-N 2.81Å
358L68Low64.9Low113 Ų113111 Ų11159%0.59258%0.58SS**Hα-helixtrans-63.3-42.2175.5-176.663000111.1P354 V355 A361 M362P354-L358 PolarHBondContact O-N 2.69Å; P354-L358 VanDerWaalsContact O-N 3.15Å; V355-L358 PolarHBondContact O-N 2.87Å; L358-A361 PolarHBondContact O-N 3.23Å; L358-M362 HydrophobicContact CD1-CG 4.25Å; L358-M362 HydrophobicContact CG-CG 4.38Å; L358-M362 VanDerWaalsContact O-CB 3.32Å; L358-M362 WeakPolarHBondContact O-CB 3.38Å; L358-M362 WeakPolarHBondContact O-CG 3.29Å; L358-M362 PolarHBondContact O-N 3.21Å
359K73.2Confident66Low164 Ų164109.2 Ų109.271%0.71357%0.57SS**Hα-helixtrans-62.4-43.9177.2-173.9178.7178.5-178.10111.8V355 G356 E357 M362 E363V355-K359 WeakPolarHBondContact O-CB 3.24Å; V355-K359 PolarHBondContact O-N 3.43Å; G356-K359 PolarHBondContact O-N 2.85Å; E357-K359 VanDerWaalsContact C-N 3.33Å; E357-K359 PolarHBondContact O-N 3.43Å; K359-M362 PolarHBondContact O-N 3.42Å; K359-E363 VanDerWaalsContact O-CB 3.3Å; K359-E363 WeakPolarHBondContact O-CB 3.28Å; K359-E363 PolarHBondContact O-N 2.9Å
360T76.7Confident67.1Low95 Ų95111.2 Ų111.258%0.58357%0.571SS**Hα-helixtrans-69-37.1176.837.90000112.4G356 E357 E363 K364G356-T360 PolarHBondContact O-N 3.46Å; G356-T360 PolarHBondContact O-OG1 3.32Å; E357-T360 VanDerWaalsContact CA-OG1 3.31Å; E357-T360 WeakPolarHBondContact CA-OG1 3.33Å; E357-T360 PolarHBondContact O-N 2.94Å; E357-T360 PolarHBondContact O-OG1 3.43Å; T360-E363 PolarHBondContact O-N 3.05Å; T360-K364 VanDerWaalsContact O-CB 3.29Å; T360-K364 WeakPolarHBondContact O-CB 3.44Å; T360-K364 PolarHBondContact O-N 3.36Å
361A77.2Confident67.9Low56 Ų56105.2 Ų105.246%0.46356%0.558SS.*Hα-helixtrans-65.5-42.3174.600000112.1E357 L358 K364 R365E357-A361 VanDerWaalsContact O-CB 3.25Å; E357-A361 WeakPolarHBondContact O-CB 3.33Å; E357-A361 PolarHBondContact O-N 2.81Å; L358-A361 PolarHBondContact O-N 3.23Å; A361-K364 PolarHBondContact O-N 2.92Å; A361-R365 WeakPolarHBondContact O-CB 3.27Å; A361-R365 PolarHBondContact O-N 3.44Å
362M75.2Confident68Low129 Ų129113 Ų11364%0.63558%0.581SS**Hα-helixtrans-65.6-42.5175.2-73.8-69.6-68.800111.7L358 K359 R365 R366L358-M362 HydrophobicContact CD1-CG 4.25Å; L358-M362 HydrophobicContact CG-CG 4.38Å; L358-M362 VanDerWaalsContact O-CB 3.32Å; L358-M362 WeakPolarHBondContact O-CB 3.38Å; L358-M362 WeakPolarHBondContact O-CG 3.29Å; L358-M362 PolarHBondContact O-N 3.21Å; K359-M362 PolarHBondContact O-N 3.42Å; M362-R365 WeakPolarHBondContact O-CB 3.33Å; M362-R365 PolarHBondContact O-N 2.94Å; M362-R366 WeakPolarHBondContact O-CB 3.24Å; M362-R366 PolarHBondContact O-N 3.26Å
363E78.9Confident67.4Low85 Ų85112.2 Ų112.240%0.39757%0.569SS.*Hα-helixtrans-66.2-39.6176.4-176.357.7-154.400111.7K359 T360 R366 K367K359-E363 VanDerWaalsContact O-CB 3.3Å; K359-E363 WeakPolarHBondContact O-CB 3.28Å; K359-E363 PolarHBondContact O-N 2.9Å; T360-E363 PolarHBondContact O-N 3.05Å; E363-R366 WeakPolarHBondContact O-CB 3.49Å; E363-R366 PolarHBondContact O-N 3.01Å; E363-K367 PolarHBondContact O-N 3.43Å
364K81.1Confident66.7Low133 Ų133115.9 Ų115.958%0.57859%0.589SS**Hα-helixtrans-60.6-47.3172.7-174.7-176.6176.6-174.80111.2T360 A361 R366 K367 E368T360-K364 VanDerWaalsContact O-CB 3.29Å; T360-K364 WeakPolarHBondContact O-CB 3.44Å; T360-K364 PolarHBondContact O-N 3.36Å; A361-K364 PolarHBondContact O-N 2.92Å; K364-R366 VanDerWaalsContact C-N 3.29Å; K364-R366 PolarHBondContact O-N 3.04Å; K364-K367 PolarHBondContact O-N 2.89Å; K364-E368 WeakPolarHBondContact CE-OE1 3.39Å; K364-E368 PolarHBondContact O-N 3.19Å
365R74.4Confident65.9Low165 Ų165115.4 Ų115.462%0.62360%0.6SS**Hα-helixtrans-59.1-41.6175.9-169.3106.3-179.8161.9-1111.4A361 M362 E368 I369A361-R365 WeakPolarHBondContact O-CB 3.27Å; A361-R365 PolarHBondContact O-N 3.44Å; M362-R365 WeakPolarHBondContact O-CB 3.33Å; M362-R365 PolarHBondContact O-N 2.94Å; R365-E368 PolarHBondContact O-N 3.36Å; R365-I369 HydrophobicContact CG-CD1 3.87Å; R365-I369 WeakPolarHBondContact O-CD1 3.48Å; R365-I369 VanDerWaalsContact O-CG1 3.25Å; R365-I369 WeakPolarHBondContact O-CG1 3.39Å; R365-I369 PolarHBondContact O-N 2.91Å
366R73.2Confident64.6Low158 Ų158118.7 Ų118.760%0.59661%0.608SS**Hα-helixtrans-62.5-41.9176.9-170.4-178.4178.6-173.91.5111.4M362 E363 K364 I369 M370M362-R366 WeakPolarHBondContact O-CB 3.24Å; M362-R366 PolarHBondContact O-N 3.26Å; E363-R366 WeakPolarHBondContact O-CB 3.49Å; E363-R366 PolarHBondContact O-N 3.01Å; K364-R366 VanDerWaalsContact C-N 3.29Å; K364-R366 PolarHBondContact O-N 3.04Å; R366-I369 PolarHBondContact O-N 3.4Å; R366-M370 HydrophobicContact CG-CG 4.29Å; R366-M370 VanDerWaalsContact O-CB 3.27Å; R366-M370 WeakPolarHBondContact O-CB 3.43Å; R366-M370 WeakPolarHBondContact O-CG 3.38Å; R366-M370 PolarHBondContact O-N 3.41Å
367K75.4Confident63.2Low124 Ų124126 Ų12654%0.53964%0.639SS.*Hα-helixtrans-64.6-41.1175.3-74.9-176.7179.4-178.10112.9E363 K364 M370 G371E363-K367 PolarHBondContact O-N 3.43Å; K364-K367 PolarHBondContact O-N 2.89Å; K367-M370 PolarHBondContact O-N 3.31Å; K367-G371 PolarHBondContact O-N 3.27Å
368E72.8Confident61.9Low119 Ų119125.2 Ų125.256%0.55665%0.646SS**Hα-helixtrans-63-44.3175.1-75.3173.3-172.700111.7K364 R365 G371K364-E368 WeakPolarHBondContact CE-OE1 3.39Å; K364-E368 PolarHBondContact O-N 3.19Å; R365-E368 PolarHBondContact O-N 3.36Å; E368-G371 PolarHBondContact O-N 3.06Å
369I61.1Low60.6Low124 Ų124125.5 Ų125.564%0.63666%0.657SS**Hα-helixtrans-66.5-40.4177.9-67.3164.4000111.2R365 R366 G371R365-I369 HydrophobicContact CG-CD1 3.87Å; R365-I369 WeakPolarHBondContact O-CD1 3.48Å; R365-I369 VanDerWaalsContact O-CG1 3.25Å; R365-I369 WeakPolarHBondContact O-CG1 3.39Å; R365-I369 PolarHBondContact O-N 2.91Å; R366-I369 PolarHBondContact O-N 3.4Å; I369-G371 PolarHBondContact O-N 3.2Å
370M65.5Low59Low123 Ų123121.8 Ų121.861%0.60664%0.642SS**THydrogen-bonded Turntrans-76.94.2-178.8-67-71.3-74.800113.1R366 K367 R372R366-M370 HydrophobicContact CG-CG 4.29Å; R366-M370 VanDerWaalsContact O-CB 3.27Å; R366-M370 WeakPolarHBondContact O-CB 3.43Å; R366-M370 WeakPolarHBondContact O-CG 3.38Å; R366-M370 PolarHBondContact O-N 3.41Å; K367-M370 PolarHBondContact O-N 3.31Å; M370-R372 PolarHBondContact O-N 2.84Å
371G58.3Low57.9Low52 Ų52120.5 Ų120.554%0.53664%0.637SS.*THydrogen-bonded Turntrans61.714.2172.200000114.9K367 E368 I369 S373K367-G371 PolarHBondContact O-N 3.27Å; E368-G371 PolarHBondContact O-N 3.06Å; I369-G371 PolarHBondContact O-N 3.2Å; G371-S373 PolarHBondContact O-N 3.3Å
372R49.4Very low56.5Low203 Ų203122.9 Ų122.977%0.76665%0.646SS**  trans-83.862.4176.7-72.8-171.6175.4-161.1-1109.4M370 N374M370-R372 PolarHBondContact O-N 2.84Å; R372-N374 PolarHBondContact O-N 3.08Å
373S48Very low55.2Low96 Ų96119 Ų11967%0.67164%0.635SS**  trans-68126.3160.444.50000107.8G371 G375G371-S373 PolarHBondContact O-N 3.3Å; S373-G375 PolarHBondContact O-N 2.85Å
374N41.4Very low54Low167 Ų167120 Ų12089%0.89364%0.639SS**THydrogen-bonded Turntrans-56.1113.8177.3-64.9-34.7000109.4R372R372-N374 PolarHBondContact O-N 3.08Å
375G38.1Very low52.7Low77 Ų77116.4 Ų116.479%0.79464%0.635SS**THydrogen-bonded Turntrans6663.2156.800000116.1S373S373-G375 PolarHBondContact O-N 2.85Å
376E34.1Very low51.7Low176 Ų176113.9 Ų113.982%0.82263%0.633SS**  trans-150.2113144.7-121.4168.3-175.100108.1S378E376-S378 PolarHBondContact O-N 3.27Å
377I35.4Very low51Low178 Ų178113 Ų11391%0.91363%0.634SS**  trans-73.983.3-179.5-57.1146.4000105.8
378S42.2Very low50.3Low92 Ų92115.1 Ų115.164%0.64364%0.638SS**  trans-108.2106.4162.2-165.10000106.7E376 E380E376-S378 PolarHBondContact O-N 3.27Å; S378-E380 PolarHBondContact O-N 3.27Å
379S42Very low49.5Very low119 Ų119118.8 Ų118.883%0.83265%0.647SS**  trans-72.745.6-17952.40000112.1
380E39.3Very low49.1Very low87 Ų87118.7 Ų118.741%0.40765%0.647SS.*  trans-89.3112.9171.8-138.5173.6-174.900106.9S378 T382 E384 R388S378-E380 PolarHBondContact O-N 3.27Å; E380-T382 PolarHBondContact O-N 3.03Å; E380-E384 HydrophobicContact CG-CB 3.96Å; E380-R388 IonicContact OE1-CZ 2.89Å; E380-R388 IonicContact OE1-NE 3.84Å; E380-R388 IonicContact OE1-NH2 3.54Å; E380-R388 PolarHBondContact OE1-NH2 2.92Å; E380-R388 IonicContact OE2-NH2 3.36Å
381S52.1Low48.6Very low67 Ų67116.2 Ų116.247%0.46964%0.642SS.*  trans-57.4139.2-178.8173.90000109.2A383 E384 A385S381-A383 CarbonylContact O-C 3.59Å; S381-A383 PolarHBondContact O-N 3.22Å; S381-E384 PolarHBondContact O-N 3.38Å; S381-A385 PolarHBondContact O-N 2.98Å
382T49.6Very low48.3Very low106 Ų106117.6 Ų117.665%0.6565%0.648SS**Hα-helixtrans-47.1-26.3174.99.80000113.6E380 L386E380-T382 PolarHBondContact O-N 3.03Å; T382-L386 WeakPolarHBondContact O-CG 3.37Å; T382-L386 PolarHBondContact O-N 3.01Å
383A47.7Very low48Very low49 Ų49114.6 Ų114.641%0.40565%0.648SS.*Hα-helixtrans-64.8-43.5173.100000112.9S381 L386 F387S381-A383 CarbonylContact O-C 3.59Å; S381-A383 PolarHBondContact O-N 3.22Å; A383-L386 WeakPolarHBondContact O-CB 3.44Å; A383-L386 PolarHBondContact O-N 3.1Å; A383-F387 WeakPolarHBondContact O-CD2 3.34Å; A383-F387 PolarHBondContact O-N 2.94Å
384E52Low47.6Very low104 Ų104115 Ų11549%0.48665%0.645SS.*Hα-helixtrans-67.4-38179-93.3160.4146.400112.6E380 S381 L386 F387 R388E380-E384 HydrophobicContact CG-CB 3.96Å; S381-E384 PolarHBondContact O-N 3.38Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.71Å; E384-F387 PolarHBondContact O-N 3.1Å; E384-R388 PolarHBondContact O-N 3.11Å
385A53.8Low47.4Very low59 Ų59112 Ų11249%0.48864%0.635SS.*Hα-helixtrans-62.3-38.1173.600000111.8S381 R389S381-A385 PolarHBondContact O-N 2.98Å; A385-R389 WeakPolarHBondContact O-CB 3.43Å; A385-R389 PolarHBondContact O-N 3.34Å
386L54.1Low47.6Very low111 Ų111114 Ų11458%0.58164%0.637SS**Hα-helixtrans-69.3-43.5173.3-74.7172.3000111.7T382 A383 E384 R389 L390T382-L386 WeakPolarHBondContact O-CG 3.37Å; T382-L386 PolarHBondContact O-N 3.01Å; A383-L386 WeakPolarHBondContact O-CB 3.44Å; A383-L386 PolarHBondContact O-N 3.1Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.71Å; L386-R389 PolarHBondContact O-N 3.15Å; L386-L390 WeakPolarHBondContact O-CG 3.41Å; L386-L390 PolarHBondContact O-N 3.44Å
387F58.2Low47.6Very low141 Ų141113.4 Ų113.462%0.61864%0.64SS**Hα-helixtrans-59.2-49.7176.8-95.2-74.4000111.4A383 E384 R389 L390 S391A383-F387 WeakPolarHBondContact O-CD2 3.34Å; A383-F387 PolarHBondContact O-N 2.94Å; E384-F387 PolarHBondContact O-N 3.1Å; F387-R389 VanDerWaalsContact C-N 3.27Å; F387-R389 PolarHBondContact O-N 3.38Å; F387-L390 CarbonylContact O-C 3.59Å; F387-L390 WeakPolarHBondContact O-CB 3.47Å; F387-L390 PolarHBondContact O-N 3.23Å; F387-L390 VanDerWaalsContact O-N 3.08Å; F387-S391 PolarHBondContact O-N 2.78Å; F387-S391 PolarHBondContact O-OG 3.36Å
388R61Low47.5Very low167 Ų167108.9 Ų108.963%0.6363%0.629SS**Hα-helixtrans-57.8-39.1174.9-93.4-161.9-151.916719.2112.9E380 E384 L390 S391 A392E380-R388 IonicContact OE1-CZ 2.89Å; E380-R388 IonicContact OE1-NE 3.84Å; E380-R388 IonicContact OE1-NH2 3.54Å; E380-R388 PolarHBondContact OE1-NH2 2.92Å; E380-R388 IonicContact OE2-NH2 3.36Å; E384-R388 PolarHBondContact O-N 3.11Å; R388-L390 VanDerWaalsContact C-N 3.27Å; R388-L390 PolarHBondContact O-N 3.29Å; R388-S391 PolarHBondContact O-N 3.32Å; R388-A392 WeakPolarHBondContact O-CB 3.38Å; R388-A392 PolarHBondContact O-N 2.99Å
389R56.9Low47.2Very low197 Ų197112.2 Ų112.274%0.74364%0.639SS**Hα-helixtrans-68.2-30.7-179.6-159.9173.3-176.2149.82.5111.9A385 L386 F387A385-R389 WeakPolarHBondContact O-CB 3.43Å; A385-R389 PolarHBondContact O-N 3.34Å; L386-R389 PolarHBondContact O-N 3.15Å; F387-R389 VanDerWaalsContact C-N 3.27Å; F387-R389 PolarHBondContact O-N 3.38Å
390L50.9Low46.6Very low122 Ų122115 Ų11564%0.63964%0.644SS**Hα-helixtrans-75.2-41170.9-67.8169.9000111.4L386 F387 R388 A392 N393L386-L390 WeakPolarHBondContact O-CG 3.41Å; L386-L390 PolarHBondContact O-N 3.44Å; F387-L390 CarbonylContact O-C 3.59Å; F387-L390 WeakPolarHBondContact O-CB 3.47Å; F387-L390 PolarHBondContact O-N 3.23Å; F387-L390 VanDerWaalsContact O-N 3.08Å; R388-L390 VanDerWaalsContact C-N 3.27Å; R388-L390 PolarHBondContact O-N 3.29Å; L390-A392 VanDerWaalsContact C-N 3.34Å; L390-A392 PolarHBondContact O-N 3.36Å; L390-N393 PolarHBondContact O-N 2.93Å
391S55.5Low46.2Very low70 Ų70114.1 Ų114.149%0.4966%0.659SS.*Hα-helixtrans-66.9-31.8177.7-51.90000113.1F387 R388 N393 V394F387-S391 PolarHBondContact O-N 2.78Å; F387-S391 PolarHBondContact O-OG 3.36Å; R388-S391 PolarHBondContact O-N 3.32Å; S391-N393 PolarHBondContact O-N 3.39Å; S391-V394 WeakPolarHBondContact O-CB 3.24Å; S391-V394 PolarHBondContact O-N 3.18Å
392A51.7Low45.1Very low82 Ų82115.5 Ų115.568%0.67867%0.668SS**THydrogen-bonded Turntrans-68.1-12.2177.600000113.6R388 L390R388-A392 WeakPolarHBondContact O-CB 3.38Å; R388-A392 PolarHBondContact O-N 2.99Å; L390-A392 VanDerWaalsContact C-N 3.34Å; L390-A392 PolarHBondContact O-N 3.36Å
393N43.2Very low44.3Very low140 Ų140117.9 Ų117.975%0.74968%0.677SS**THydrogen-bonded Turntrans-91.54.6170.6-77.2-29.3000113.3L390 S391 P395L390-N393 PolarHBondContact O-N 2.93Å; S391-N393 PolarHBondContact O-N 3.39Å; N393-P395 WeakPolarHBondContact O-CD 3.44Å
394V40.2Very low43.5Very low103 Ų103119 Ų11962%0.62469%0.693SS**SBendtrans-86.4117.2168.2-174.60000107.8S391 S396S391-V394 WeakPolarHBondContact O-CB 3.24Å; S391-V394 PolarHBondContact O-N 3.18Å; V394-S396 PolarHBondContact O-N 2.92Å
395P37.5Very low42.4Very low105 Ų105123.9 Ų123.968%0.68272%0.716SS**  trans-57.5125.1-178.320.5-30.4000110.7N393 N397N393-P395 WeakPolarHBondContact O-CD 3.44Å; P395-N397 PolarHBondContact O-N 2.98Å
396S42.8Very low41.4Very low119 Ų119125.9 Ų125.983%0.83273%0.726SS**THydrogen-bonded Turntrans-68.526.3-176.7320000115.1V394V394-S396 PolarHBondContact O-N 2.92Å
397N33.6Very low40.3Very low164 Ų164126.3 Ų126.388%0.87774%0.739SS**THydrogen-bonded Turntrans-98.96.4179.7-88.93.4000114.8P395P395-N397 PolarHBondContact O-N 2.98Å
398A33.5Very low39.3Very low83 Ų83124.7 Ų124.769%0.68675%0.745SS**SBendtrans-103.8-12.5-173.800000116.3
399L35.4Very low37.8Very low162 Ų162126.8 Ų126.885%0.84876%0.759SS**  trans-141.361.7-170.6-75.2162.1000112.7G401L399-G401 PolarHBondContact O-N 2.87Å
400N30.2Very low36.8Very low177 Ų177122.4 Ų122.495%0.94776%0.758SS**  trans-83.280.5149.5-85.9-9.1000107.5
401G30.3Very low36Very low69 Ų69123.6 Ų123.671%0.71177%0.765SS**  trans-132.879.7166.700000106.9L399L399-G401 PolarHBondContact O-N 2.87Å
402S28.8Very low35.2Very low96 Ų96125 Ų12567%0.67178%0.775SS**  trans-74.4155.3174.366.20000110.4
403D32.4Very low34.3Very low156 Ų156128 Ų12883%0.83478%0.779SS**  trans84.2100.1155.2-46.2-39.3000117.2
404G31.8Very low34.3Very low72 Ų72127.9 Ų127.974%0.74278%0.779SS**  trans-172.239.4170.700000113.1S406G404-S406 PolarHBondContact O-N 3.08Å; G404-S406 VanDerWaalsContact O-N 3.11Å
405E28.3Very low34.1Very low206 Ų206130.6 Ų130.696%0.96379%0.785SS**  trans-65.3103.1160.7-87.9-177.2124.600108.5
406S33.5Very low33.9Very low101 Ų101138.2 Ų138.271%0.70680%0.8SS**  trans-140.699.5154.256.40000108.8G404 S408G404-S406 PolarHBondContact O-N 3.08Å; G404-S406 VanDerWaalsContact O-N 3.11Å; S406-S408 PolarHBondContact O-N 3.34Å
407S29.9Very low33.6Very low120 Ų120136.7 Ų136.784%0.83979%0.79SS**  trans-46.1120.316052.70000110.4
408S38.2Very low33.7Very low108 Ų108140.5 Ų140.576%0.75581%0.81SS**  trans-144.195.6159.5-75.70000107.8S406 S410S406-S408 PolarHBondContact O-N 3.34Å; S408-S410 PolarHBondContact O-N 3.1Å
409K28.4Very low33.7Very low211 Ų211143.4 Ų143.492%0.91782%0.816SS**  trans-73.995170.3-174163-178.3159.60106.8
410S37.5Very low33.6Very low104 Ų104142.4 Ų142.473%0.72782%0.815SS**  trans-107.4104.5168.956.20000108.9S408S408-S410 PolarHBondContact O-N 3.1Å
411N33.2Very low33.8Very low148 Ų148140.5 Ų140.579%0.79181%0.807SS**  trans-63.8123.6161.3-125.427.5000107.5
412S39.9Very low34Very low99 Ų99144.7 Ų144.769%0.69281%0.813SS**  trans-147.977.3158.764.20000107.6D414S412-D414 PolarHBondContact O-N 3.39Å
413D32.9Very low34.4Very low144 Ų144147.8 Ų147.877%0.7782%0.822SS**  trans-64.2102.6146.7-77.8-44000105.7
414D41.9Very low34.5Very low138 Ų138147.2 Ų147.274%0.73882%0.821SS**  trans-149.4108.8162.8-85.5-43.9000110S412S412-D414 PolarHBondContact O-N 3.39Å
415E37.2Very low34.7Very low160 Ų160152.6 Ų152.675%0.74883%0.827SS**  trans61.992.2139.6-67.2-174.8135.700119.7S417E415-S417 VanDerWaalsContact C-N 3.3Å; E415-S417 PolarHBondContact O-N 3.04Å; E415-S417 VanDerWaalsContact O-N 3.1Å
416W32.8Very low35.2Very low265 Ų265148.5 Ų148.5100%1.00482%0.816SS**  trans-66.590142.6-67.358.2000108.8
417S35.2Very low35.3Very low88 Ų88152.4 Ų152.462%0.61583%0.825SS**  trans-141.180.1165.7-74.30000109.8E415E415-S417 VanDerWaalsContact C-N 3.3Å; E415-S417 PolarHBondContact O-N 3.04Å; E415-S417 VanDerWaalsContact O-N 3.1Å
418N37Very low35.8Very low244 Ų244155.4 Ų155.4100%1.30582%0.824SS**  trans-175.90136.3-97.9-18.3000111.8

Retrieved 418 of 418 residues in 162.1 ms (Link to these results)