A0A096MZB8_PAPAN Loading...

Natriuretic peptides B

AlphaFold DB , UniProt , Accession A0A096MZB8, Species PAPAN (Papio anubis, Olive baboon), Gene NPPB, Length 132 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
1M44.8Very low64.2Low229 Ų229116.5 Ų116.5100%1.12863%0.633SS**  089.30-80.8-67.4137.700106.5P3M1-P3 WeakPolarHBondContact O-CD 2.92Å
2D54.5Low65.8Low134 Ų134116.1 Ų116.172%0.71763%0.629SS**  trans-77.9117.2-169-63.9-60.4000111.6Q4D2-Q4 PolarHBondContact O-N 3.27Å; D2-Q4 VanDerWaalsContact O-N 3.13Å
3P57.9Low67.3Low112 Ų112116.7 Ų116.773%0.72763%0.631SS**THydrogen-bonded Turntrans-73.2-0.7-179.529.4-33.7000113.6M1M1-P3 WeakPolarHBondContact O-CD 2.92Å
4Q58.8Low68.5Low155 Ų155115.1 Ų115.172%0.72462%0.621SS**THydrogen-bonded Turntrans-84.3-10.6-171.8-71.9-83.320.300114.8D2 P7D2-Q4 PolarHBondContact O-N 3.27Å; D2-Q4 VanDerWaalsContact O-N 3.13Å; Q4-P7 WeakPolarHBondContact O-CD 3.26Å
5T55.2Low69.4Low81 Ų81113.9 Ų113.950%0.49761%0.613SS.*Hα-helixtrans-92.3-11.3-177.844.40000114.2S8 R9T5-S8 PolarHBondContact O-OG 3.06Å; T5-R9 WeakPolarHBondContact O-CG 2.8Å
6A56.8Low70.2Confident61 Ų61115.8 Ų115.850%0.50462%0.615SS.*Hα-helixtrans-71.7-47.2176.400000114S8 R9 V10A6-S8 VanDerWaalsContact C-N 3.35Å; A6-S8 PolarHBondContact O-N 3.29Å; A6-R9 PolarHBondContact O-N 3.3Å; A6-V10 WeakPolarHBondContact O-CG2 3.47Å; A6-V10 PolarHBondContact O-N 2.83Å
7P62.3Low70.8Confident65 Ų65116 Ų11642%0.42262%0.615SS.*Hα-helixtrans-70.3-31.7-173.926.9-34.3000112.7Q4 V10 L11Q4-P7 WeakPolarHBondContact O-CD 3.26Å; P7-V10 PolarHBondContact O-N 3.04Å; P7-L11 WeakPolarHBondContact O-CB 3.25Å; P7-L11 WeakPolarHBondContact O-CD1 3.3Å; P7-L11 WeakPolarHBondContact O-CG 3.4Å; P7-L11 PolarHBondContact O-N 2.94Å
8S71.6Confident70.9Confident55 Ų55117.1 Ų117.139%0.38562%0.616SS.*Hα-helixtrans-67-38.5178.357.70000112.1T5 A6 L11 L12T5-S8 PolarHBondContact O-OG 3.06Å; A6-S8 VanDerWaalsContact C-N 3.35Å; A6-S8 PolarHBondContact O-N 3.29Å; S8-L11 PolarHBondContact O-N 3.38Å; S8-L12 WeakPolarHBondContact O-CB 3.38Å; S8-L12 WeakPolarHBondContact O-CD1 3.44Å; S8-L12 WeakPolarHBondContact O-CG 3.38Å; S8-L12 PolarHBondContact O-N 2.02Å
9R76.4Confident71Confident175 Ų175117.2 Ų117.266%0.6662%0.616SS**Hα-helixtrans-67.4-41.8176.7-69.1178179.3-166.30.6111.9T5 A6 L12 L13T5-R9 WeakPolarHBondContact O-CG 2.8Å; A6-R9 PolarHBondContact O-N 3.3Å; R9-L12 PolarHBondContact O-N 2.94Å; R9-L13 WeakPolarHBondContact O-CB 3.5Å; R9-L13 WeakPolarHBondContact O-CG 3.12Å; R9-L13 PolarHBondContact O-N 3.11Å
10V83.6Confident70.9Confident93 Ų93114.4 Ų114.456%0.56461%0.61SS**Hα-helixtrans-64.1-44176.4176.60000110.9A6 P7 L12 L13 L14A6-V10 WeakPolarHBondContact O-CG2 3.47Å; A6-V10 PolarHBondContact O-N 2.83Å; P7-V10 PolarHBondContact O-N 3.04Å; V10-L12 PolarHBondContact O-N 3.09Å; V10-L13 PolarHBondContact O-N 3.44Å; V10-L14 WeakPolarHBondContact O-CB 3.4Å; V10-L14 PolarHBondContact O-N 2.91Å
11L83.9Confident70.6Confident121 Ų121115.7 Ų115.763%0.63462%0.617SS**Hα-helixtrans-60.7-43.5175.7-83158.6000112.6P7 S8 L14 L15P7-L11 WeakPolarHBondContact O-CB 3.25Å; P7-L11 WeakPolarHBondContact O-CD1 3.3Å; P7-L11 WeakPolarHBondContact O-CG 3.4Å; P7-L11 PolarHBondContact O-N 2.94Å; S8-L11 PolarHBondContact O-N 3.38Å; L11-L14 PolarHBondContact O-N 2.85Å; L11-L15 WeakPolarHBondContact O-CB 3.32Å; L11-L15 PolarHBondContact O-N 3.18Å
12L84.3Confident71.1Confident112 Ų112109.3 Ų109.359%0.58659%0.593SS**Hα-helixtrans-65.7-40177.8-72.3168.3000112.1S8 R9 V10 L15 F16S8-L12 WeakPolarHBondContact O-CB 3.38Å; S8-L12 WeakPolarHBondContact O-CD1 3.44Å; S8-L12 WeakPolarHBondContact O-CG 3.38Å; S8-L12 PolarHBondContact O-N 2.02Å; R9-L12 PolarHBondContact O-N 2.94Å; V10-L12 PolarHBondContact O-N 3.09Å; L12-L15 PolarHBondContact O-N 2.85Å; L12-F16 WeakPolarHBondContact O-CB 3.42Å; L12-F16 PolarHBondContact O-N 3Å
13L84.6Confident71.1Confident124 Ų124105.9 Ų105.965%0.64959%0.589SS**Hα-helixtrans-66.4-40.9175.7-71169.6000111.8R9 V10 F16 L17R9-L13 WeakPolarHBondContact O-CB 3.5Å; R9-L13 WeakPolarHBondContact O-CG 3.12Å; R9-L13 PolarHBondContact O-N 3.11Å; V10-L13 PolarHBondContact O-N 3.44Å; L13-F16 PolarHBondContact O-N 3.06Å; L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 PolarHBondContact O-N 3.28Å
14L83.9Confident71.1Confident94 Ų94105.5 Ų105.549%0.49259%0.589SS.*Hα-helixtrans-62.9-45.3176.2-146.989.2000111V10 L11 L17 H18V10-L14 WeakPolarHBondContact O-CB 3.4Å; V10-L14 PolarHBondContact O-N 2.91Å; L11-L14 PolarHBondContact O-N 2.85Å; L14-L17 PolarHBondContact O-N 3.09Å; L14-H18 PolarHBondContact O-CD2 3.18Å; L14-H18 PolarHBondContact O-N 3.45Å
15L82.9Confident71Confident98 Ų98108.8 Ų108.851%0.51359%0.594SS.*Hα-helixtrans-60.7-45.8176.9-179.760000111.1L11 L12 L17 H18 L19L11-L15 WeakPolarHBondContact O-CB 3.32Å; L11-L15 PolarHBondContact O-N 3.18Å; L12-L15 PolarHBondContact O-N 2.85Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 2.77Å; L15-H18 PolarHBondContact O-N 3.09Å; L15-L19 HydrophobicContact CD1-CD1 3.67Å; L15-L19 HydrophobicContact CD1-CG 4.43Å; L15-L19 HydrophobicContact CD2-CD1 4.49Å; L15-L19 HydrophobicContact CG-CD1 3.65Å; L15-L19 WeakPolarHBondContact O-CB 3.32Å; L15-L19 WeakPolarHBondContact O-CD1 3.21Å; L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 3.24Å
16F81.6Confident71.2Confident144 Ų144109.9 Ų109.963%0.63261%0.605SS**Hα-helixtrans-61.9-40.2175.7-174.4-98.5000111.9L12 L13 H18 L19 A20L12-F16 WeakPolarHBondContact O-CB 3.42Å; L12-F16 PolarHBondContact O-N 3Å; L13-F16 PolarHBondContact O-N 3.06Å; F16-H18 VanDerWaalsContact C-N 3.34Å; F16-H18 PolarHBondContact O-N 3.32Å; F16-L19 CarbonylContact O-C 3.57Å; F16-L19 PolarHBondContact O-N 3.18Å; F16-A20 HydrophobicContact CD1-CB 4.32Å; F16-A20 HydrophobicContact CE1-CB 4.08Å; F16-A20 HydrophobicContact CZ-CB 4.39Å; F16-A20 WeakPolarHBondContact O-CB 3.5Å; F16-A20 PolarHBondContact O-N 3.26Å
17L81.3Confident70.6Confident119 Ų119114.5 Ų114.562%0.62362%0.617SS**Hα-helixtrans-64.2-38.8177.8-159.870000111.9L13 L14 L15 L21L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 PolarHBondContact O-N 3.28Å; L14-L17 PolarHBondContact O-N 3.09Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 2.77Å; L17-L21 VanDerWaalsContact O-CB 3.31Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 3.38Å
18H72.6Confident70.2Confident135 Ų135116.9 Ų116.963%0.62563%0.632SS**Hα-helixtrans-68.1-37.1173.9-72.6-60.8000113L14 L15 F16L14-H18 PolarHBondContact O-CD2 3.18Å; L14-H18 PolarHBondContact O-N 3.45Å; L15-H18 PolarHBondContact O-N 3.09Å; F16-H18 VanDerWaalsContact C-N 3.34Å; F16-H18 PolarHBondContact O-N 3.32Å
19L71.7Confident69.1Low119 Ų119122.1 Ų122.162%0.62365%0.654SS**Hα-helixtrans-81.8-23.1179.6-76.7155.1000114L15 F16 L21 P22L15-L19 HydrophobicContact CD1-CD1 3.67Å; L15-L19 HydrophobicContact CD1-CG 4.43Å; L15-L19 HydrophobicContact CD2-CD1 4.49Å; L15-L19 HydrophobicContact CG-CD1 3.65Å; L15-L19 WeakPolarHBondContact O-CB 3.32Å; L15-L19 WeakPolarHBondContact O-CD1 3.21Å; L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 3.24Å; F16-L19 CarbonylContact O-C 3.57Å; F16-L19 PolarHBondContact O-N 3.18Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-P22 WeakPolarHBondContact O-CD 3.2Å
20A69.1Low67.6Low61 Ų61115.4 Ų115.450%0.50464%0.64SS.*Hα-helixtrans-87-9.4173.400000112F16 P22F16-A20 HydrophobicContact CD1-CB 4.32Å; F16-A20 HydrophobicContact CE1-CB 4.08Å; F16-A20 HydrophobicContact CZ-CB 4.39Å; F16-A20 WeakPolarHBondContact O-CB 3.5Å; F16-A20 PolarHBondContact O-N 3.26Å; A20-P22 WeakPolarHBondContact O-CD 3.36Å
21L63.8Low66Low142 Ų142115.7 Ų115.774%0.74365%0.646SS**  trans-97.137.1172.8-149.374.2000115.6L17 L19 G23L17-L21 VanDerWaalsContact O-CB 3.31Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 3.38Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L21-G23 PolarHBondContact O-N 3.46Å
22P56.6Low64.5Low96 Ų96115 Ų11562%0.62365%0.652SS**  trans-85.766.6145.134.7-27.5000105.7L19 A20 S24L19-P22 WeakPolarHBondContact O-CD 3.2Å; A20-P22 WeakPolarHBondContact O-CD 3.36Å; P22-S24 PolarHBondContact O-N 3.08Å
23G54.4Low62.8Low61 Ų61112.5 Ų112.563%0.62965%0.647SS**  trans-62.285.9150.100000105L21 R25L21-G23 PolarHBondContact O-N 3.46Å; G23-R25 PolarHBondContact O-N 3.49Å
24S56.9Low61.2Low105 Ų105109.3 Ų109.373%0.73464%0.635SS**  trans-61.980.8167.258.60000106P22 S26P22-S24 PolarHBondContact O-N 3.08Å; S24-S26 PolarHBondContact O-N 3.44Å
25R57.9Low59.8Low223 Ų223110.5 Ų110.584%0.84264%0.642SS**  trans-59.691141.7-75.8-176.8171.5-178.1-2.6102.6G23 H27G23-R25 PolarHBondContact O-N 3.49Å; R25-H27 PolarHBondContact O-N 2.92Å
26S58.3Low58.4Low104 Ų104112.5 Ų112.573%0.72765%0.652SS**  trans-44103.3152.331.50000103.9S24 P28S24-S26 PolarHBondContact O-N 3.44Å; S26-P28 WeakPolarHBondContact O-CD 3.36Å
27H45.6Very low57.2Low159 Ų159112.6 Ų112.674%0.73665%0.654SS**  trans-52.2117170.4-72.3-64.2000104.1R25 L29R25-H27 PolarHBondContact O-N 2.92Å; H27-L29 PolarHBondContact O-N 3.29Å
28P54Low56.2Low114 Ų114110.5 Ų110.574%0.7465%0.647SS**  trans-60.9106.2164.426-29000103.7S26 G30S26-P28 WeakPolarHBondContact O-CD 3.36Å; P28-G30 VanDerWaalsContact C-N 3.33Å; P28-G30 PolarHBondContact O-N 3.39Å
29L48.3Very low55.9Low165 Ų165107.1 Ų107.186%0.86464%0.638SS**SBendtrans-54.6106.2170-89.7107.4000106H27H27-L29 PolarHBondContact O-N 3.29Å
30G44.3Very low56Low34 Ų34103.2 Ų103.235%0.35163%0.627SS.*  trans53.988.7164.200000116.1P28 S32 A33 S34P28-G30 VanDerWaalsContact C-N 3.33Å; P28-G30 PolarHBondContact O-N 3.39Å; G30-S32 PolarHBondContact O-N 3.26Å; G30-A33 PolarHBondContact O-N 2.98Å; G30-A33 VanDerWaalsContact O-N 3.15Å; G30-S34 PolarHBondContact O-OG 3.29Å
31S50.4Low56.2Low99 Ų99105.6 Ų105.669%0.69263%0.631SS**THydrogen-bonded Turntrans-62.6-2.7162.885.90000113.5
32S51.2Low56.8Low108 Ų108102.6 Ų102.676%0.75561%0.613SS**THydrogen-bonded Turntrans-92.3-17.1174.956.70000114.1G30G30-S32 PolarHBondContact O-N 3.26Å
33A48.8Very low58Low58 Ų58104.7 Ų104.748%0.47962%0.615SS.*THydrogen-bonded Turntrans-91.8-26.6174.500000112G30 D35 E37G30-A33 PolarHBondContact O-N 2.98Å; G30-A33 VanDerWaalsContact O-N 3.15Å; A33-D35 PolarHBondContact O-N 3.48Å; A33-E37 PolarHBondContact O-N 3.17Å
34S52.3Low59.4Low58 Ų58107.7 Ų107.741%0.40661%0.612SS.*Hα-helixtrans-68.9-29.9-179-52.70000113.8G30 T38G30-S34 PolarHBondContact O-OG 3.29Å; S34-T38 VanDerWaalsContact O-CB 3.23Å; S34-T38 WeakPolarHBondContact O-CB 3.27Å; S34-T38 WeakPolarHBondContact O-CG2 3.46Å; S34-T38 PolarHBondContact O-N 3.06Å; S34-T38 PolarHBondContact O-OG1 3.21Å
35D52.9Low60.7Low118 Ų118109.8 Ų109.863%0.63160%0.604SS**Hα-helixtrans-72.4-36.1-177.4-77.5-9.2000112.8A33 T38 S39A33-D35 PolarHBondContact O-N 3.48Å; D35-T38 WeakPolarHBondContact CA-OG1 3.26Å; D35-T38 PolarHBondContact O-OG1 3.39Å; D35-T38 VanDerWaalsContact O-OG1 3.07Å; D35-S39 PolarHBondContact O-N 3.17Å
36L54.6Low62.1Low140 Ų140103.1 Ų103.173%0.73359%0.585SS**Hα-helixtrans-73.6-41.6177.8-153.276000111.2S39 G40L36-S39 PolarHBondContact O-N 3.23Å; L36-S39 PolarHBondContact O-OG 3.22Å; L36-G40 PolarHBondContact O-N 3.37Å
37E56Low63.4Low146 Ų146103.8 Ų103.868%0.68258%0.576SS**Hα-helixtrans-71.8-33.1178-65.2-160.8145.700112.8A33 L41A33-E37 PolarHBondContact O-N 3.17Å; E37-L41 WeakPolarHBondContact O-CB 3.45Å; E37-L41 VanDerWaalsContact O-CG 3.27Å; E37-L41 WeakPolarHBondContact O-CG 3.43Å; E37-L41 PolarHBondContact O-N 3.46Å; E37-L41 VanDerWaalsContact O-N 3.07Å
38T60.1Low65.3Low75 Ų75100.7 Ų100.746%0.4657%0.565SS.*Hα-helixtrans-68.9-34.5174.553.50000112.2S34 D35 L41 Q42S34-T38 VanDerWaalsContact O-CB 3.23Å; S34-T38 WeakPolarHBondContact O-CB 3.27Å; S34-T38 WeakPolarHBondContact O-CG2 3.46Å; S34-T38 PolarHBondContact O-N 3.06Å; S34-T38 PolarHBondContact O-OG1 3.21Å; D35-T38 WeakPolarHBondContact CA-OG1 3.26Å; D35-T38 PolarHBondContact O-OG1 3.39Å; D35-T38 VanDerWaalsContact O-OG1 3.07Å; T38-L41 PolarHBondContact O-N 3.49Å; T38-Q42 VanDerWaalsContact O-CB 3.23Å; T38-Q42 WeakPolarHBondContact O-CB 3.46Å; T38-Q42 PolarHBondContact O-N 3.01Å
39S66.9Low66.8Low64 Ų64101 Ų10145%0.44856%0.556SS.*Hα-helixtrans-62.7-46.1175.475.20000112.3D35 L36 L41 Q42 E43D35-S39 PolarHBondContact O-N 3.17Å; L36-S39 PolarHBondContact O-N 3.23Å; L36-S39 PolarHBondContact O-OG 3.22Å; S39-L41 PolarHBondContact O-N 3.37Å; S39-Q42 PolarHBondContact O-N 3.43Å; S39-E43 WeakPolarHBondContact O-CB 3.46Å; S39-E43 PolarHBondContact O-N 3.3Å
40G72.5Confident68.5Low38 Ų3894.7 Ų94.739%0.39253%0.531SS..Hα-helixtrans-65.5-39.3176.600000112.9L36 E43 Q44L36-G40 PolarHBondContact O-N 3.37Å; G40-E43 PolarHBondContact O-N 2.74Å; G40-Q44 PolarHBondContact O-N 2.91Å
41L74.8Confident70.4Confident111 Ų11197.4 Ų97.458%0.58153%0.533SS*.Hα-helixtrans-67.5-35.8174.9-71.8173.8000112.6E37 T38 S39 R45E37-L41 WeakPolarHBondContact O-CB 3.45Å; E37-L41 VanDerWaalsContact O-CG 3.27Å; E37-L41 WeakPolarHBondContact O-CG 3.43Å; E37-L41 PolarHBondContact O-N 3.46Å; E37-L41 VanDerWaalsContact O-N 3.07Å; T38-L41 PolarHBondContact O-N 3.49Å; S39-L41 PolarHBondContact O-N 3.37Å; L41-R45 PolarHBondContact O-N 3.41Å
42Q76.3Confident71.7Confident78 Ų7898.4 Ų98.436%0.36453%0.531SS..Hα-helixtrans-68.7-40.8175.8-17863.74800111.3T38 S39 R45 N46T38-Q42 VanDerWaalsContact O-CB 3.23Å; T38-Q42 WeakPolarHBondContact O-CB 3.46Å; T38-Q42 PolarHBondContact O-N 3.01Å; S39-Q42 PolarHBondContact O-N 3.43Å; Q42-R45 WeakPolarHBondContact O-CB 3.29Å; Q42-R45 PolarHBondContact O-N 2.92Å; Q42-N46 PolarHBondContact NE2-OD1 3.32Å; Q42-N46 PolarHBondContact O-N 2.72Å; Q42-N46 PolarHBondContact O-ND2 3.02Å; Q42-N46 PolarHBondContact O-OD1 3.45Å
43E81.8Confident73Confident141 Ų14196.1 Ų96.166%0.65951%0.514SS*.Hα-helixtrans-63.9-42.7175.6-174161-163.300111.6S39 G40 R45 N46 H47S39-E43 WeakPolarHBondContact O-CB 3.46Å; S39-E43 PolarHBondContact O-N 3.3Å; G40-E43 PolarHBondContact O-N 2.74Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.39Å; E43-N46 PolarHBondContact O-N 3.47Å; E43-H47 WeakPolarHBondContact O-CB 3.4Å; E43-H47 PolarHBondContact O-N 3.44Å
44Q82.8Confident74Confident123 Ų12398.4 Ų98.458%0.57552%0.515SS*.Hα-helixtrans-62-39.1174.3-165.5-179.1-67.400112G40 L48G40-Q44 PolarHBondContact O-N 2.91Å; Q44-L48 HydrophobicContact CG-CD1 4.46Å; Q44-L48 WeakPolarHBondContact O-CB 3.04Å; Q44-L48 VanDerWaalsContact O-CG 3.26Å; Q44-L48 WeakPolarHBondContact O-CG 3.23Å; Q44-L48 PolarHBondContact O-N 2.81Å
45R85.7Confident74.9Confident149 Ų149100.8 Ų100.856%0.56252%0.523SS*.Hα-helixtrans-62.8-47.1174.1-173.8-165.5-66.3149.74.2111.2L41 Q42 E43 H47 L48 Q49L41-R45 PolarHBondContact O-N 3.41Å; Q42-R45 WeakPolarHBondContact O-CB 3.29Å; Q42-R45 PolarHBondContact O-N 2.92Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.39Å; R45-H47 VanDerWaalsContact C-N 3.34Å; R45-H47 PolarHBondContact O-N 3.5Å; R45-L48 PolarHBondContact O-N 3.05Å; R45-Q49 WeakPolarHBondContact O-CB 3.4Å; R45-Q49 PolarHBondContact O-N 3.26Å
46N86.1Confident75.6Confident84 Ų84100.7 Ų100.745%0.44952%0.519SS..Hα-helixtrans-62.6-42-179.7-66.5-13000111.3Q42 E43 Q49 G50Q42-N46 PolarHBondContact NE2-OD1 3.32Å; Q42-N46 PolarHBondContact O-N 2.72Å; Q42-N46 PolarHBondContact O-ND2 3.02Å; Q42-N46 PolarHBondContact O-OD1 3.45Å; E43-N46 PolarHBondContact O-N 3.47Å; N46-Q49 PolarHBondContact O-N 3.26Å; N46-G50 PolarHBondContact O-N 3.47Å
47H85.9Confident75.9Confident117 Ų11798.6 Ų98.654%0.54251%0.511SS..Hα-helixtrans-63.5-43.8175.9-179.9-94.1000111.9E43 R45 Q49 G50 K51E43-H47 WeakPolarHBondContact O-CB 3.4Å; E43-H47 PolarHBondContact O-N 3.44Å; R45-H47 VanDerWaalsContact C-N 3.34Å; R45-H47 PolarHBondContact O-N 3.5Å; H47-Q49 VanDerWaalsContact C-N 3.33Å; H47-Q49 PolarHBondContact O-N 3.4Å; H47-G50 PolarHBondContact O-N 2.88Å; H47-K51 WeakPolarHBondContact O-CG 3.23Å; H47-K51 PolarHBondContact O-N 3.26Å
48L86.8Confident76Confident95 Ų9597.4 Ų97.450%0.49751%0.506SS..Hα-helixtrans-62.8-40.5174.6-73.3172.5000111.9Q44 R45 K51 L52Q44-L48 HydrophobicContact CG-CD1 4.46Å; Q44-L48 WeakPolarHBondContact O-CB 3.04Å; Q44-L48 VanDerWaalsContact O-CG 3.26Å; Q44-L48 WeakPolarHBondContact O-CG 3.23Å; Q44-L48 PolarHBondContact O-N 2.81Å; R45-L48 PolarHBondContact O-N 3.05Å; L48-K51 PolarHBondContact O-N 2.93Å; L48-L52 VanDerWaalsContact O-CG 3.32Å; L48-L52 WeakPolarHBondContact O-CG 3.23Å; L48-L52 PolarHBondContact O-N 3.49Å
49Q85.1Confident75.8Confident120 Ų120100.8 Ų100.856%0.56152%0.516SS*.Hα-helixtrans-64.2-43.2176.7-171.81726.600111.6R45 N46 H47 K51 L52 S53R45-Q49 WeakPolarHBondContact O-CB 3.4Å; R45-Q49 PolarHBondContact O-N 3.26Å; N46-Q49 PolarHBondContact O-N 3.26Å; H47-Q49 VanDerWaalsContact C-N 3.33Å; H47-Q49 PolarHBondContact O-N 3.4Å; Q49-K51 PolarHBondContact O-N 3.45Å; Q49-L52 PolarHBondContact O-N 3.35Å; Q49-S53 PolarHBondContact O-N 3.29Å; Q49-S53 PolarHBondContact O-OG 3Å
50G82.7Confident75.2Confident33 Ų33103.2 Ų103.234%0.3452%0.523SS..Hα-helixtrans-59.6-44.4173.500000112.4N46 H47 L52 S53 E54N46-G50 PolarHBondContact O-N 3.47Å; H47-G50 PolarHBondContact O-N 2.88Å; G50-L52 PolarHBondContact O-N 2.97Å; G50-S53 PolarHBondContact O-N 3.36Å; G50-E54 WeakPolarHBondContact O-CG 3.2Å; G50-E54 PolarHBondContact O-N 3.29Å
51K85.3Confident74.1Confident90 Ų90105.8 Ų105.839%0.39154%0.535SS..Hα-helixtrans-63.3-38.1175.8-70.4-74.6159.9-151.20112.8H47 L48 Q49 E54 L55H47-K51 WeakPolarHBondContact O-CG 3.23Å; H47-K51 PolarHBondContact O-N 3.26Å; L48-K51 PolarHBondContact O-N 2.93Å; Q49-K51 PolarHBondContact O-N 3.45Å; K51-E54 IonicContact NZ-OE1 2.74Å; K51-E54 IonicContact NZ-OE2 3.98Å; K51-E54 PolarHBondContact NZ-OE2 3.3Å; K51-E54 PolarHBondContact O-N 2.96Å; K51-L55 WeakPolarHBondContact O-CB 3.34Å; K51-L55 WeakPolarHBondContact O-CG 3.15Å; K51-L55 PolarHBondContact O-N 2.94Å
52L77.1Confident72.8Confident121 Ų121107.3 Ų107.363%0.63454%0.543SS*.Hα-helixtrans-67.6-37174.8-71.7173.1000112L48 Q49 G50 Q56L48-L52 VanDerWaalsContact O-CG 3.32Å; L48-L52 WeakPolarHBondContact O-CG 3.23Å; L48-L52 PolarHBondContact O-N 3.49Å; Q49-L52 PolarHBondContact O-N 3.35Å; G50-L52 PolarHBondContact O-N 2.97Å; L52-Q56 VanDerWaalsContact O-CB 3.24Å; L52-Q56 WeakPolarHBondContact O-CB 3.33Å; L52-Q56 PolarHBondContact O-N 3.47Å
53S77.9Confident71.3Confident59 Ų59110.7 Ų110.741%0.41356%0.559SS.*Hα-helixtrans-68.1-41.6173.1-660000112.3Q49 G50 Q56 V57Q49-S53 PolarHBondContact O-N 3.29Å; Q49-S53 PolarHBondContact O-OG 3Å; G50-S53 PolarHBondContact O-N 3.36Å; S53-Q56 PolarHBondContact O-N 2.85Å; S53-V57 VanDerWaalsContact O-CG2 3.29Å; S53-V57 WeakPolarHBondContact O-CG2 3.24Å; S53-V57 PolarHBondContact O-N 2.9Å
54E70.2Confident69.5Low107 Ų107109 Ų10950%0.556%0.56SS.*Hα-helixtrans-59.3-48.2172.8-76175.3177.400111.1G50 K51 Q56 V57 E58G50-E54 WeakPolarHBondContact O-CG 3.2Å; G50-E54 PolarHBondContact O-N 3.29Å; K51-E54 IonicContact NZ-OE1 2.74Å; K51-E54 IonicContact NZ-OE2 3.98Å; K51-E54 PolarHBondContact NZ-OE2 3.3Å; K51-E54 PolarHBondContact O-N 2.96Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 2.91Å; E54-V57 PolarHBondContact O-N 3.49Å; E54-E58 WeakPolarHBondContact O-CB 3.43Å; E54-E58 PolarHBondContact O-N 2.85Å
55L71Confident67.7Low107 Ų107110.9 Ų110.956%0.5657%0.573SS**Hα-helixtrans-64.6-34.5177.4-71172.9000112.6K51 Q59K51-L55 WeakPolarHBondContact O-CB 3.34Å; K51-L55 WeakPolarHBondContact O-CG 3.15Å; K51-L55 PolarHBondContact O-N 2.94Å; L55-Q59 WeakPolarHBondContact O-CB 3.43Å; L55-Q59 PolarHBondContact O-N 2.86Å
56Q68.4Low65.3Low117 Ų117112.3 Ų112.355%0.54759%0.586SS.*Hα-helixtrans-69.2-41175.5-177174.972.900111.4L52 S53 E54 Q59 I60L52-Q56 VanDerWaalsContact O-CB 3.24Å; L52-Q56 WeakPolarHBondContact O-CB 3.33Å; L52-Q56 PolarHBondContact O-N 3.47Å; S53-Q56 PolarHBondContact O-N 2.85Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 2.91Å; Q56-Q59 PolarHBondContact O-N 3.44Å; Q56-I60 HydrophobicContact CG-CD1 3.95Å; Q56-I60 WeakPolarHBondContact O-CD1 3.35Å; Q56-I60 WeakPolarHBondContact O-CG1 2.93Å; Q56-I60 PolarHBondContact O-N 3.21Å
57V59.7Low62.9Low95 Ų95117.3 Ų117.358%0.57661%0.607SS**Hα-helixtrans-68.3-39.5175.7172.60000111.2S53 E54 Q59 I60 S61S53-V57 VanDerWaalsContact O-CG2 3.29Å; S53-V57 WeakPolarHBondContact O-CG2 3.24Å; S53-V57 PolarHBondContact O-N 2.9Å; E54-V57 PolarHBondContact O-N 3.49Å; V57-Q59 VanDerWaalsContact C-N 3.32Å; V57-Q59 PolarHBondContact O-N 3.15Å; V57-I60 PolarHBondContact O-N 2.99Å; V57-S61 WeakPolarHBondContact O-CB 3.43Å; V57-S61 PolarHBondContact O-N 3.07Å
58E58.5Low60.5Low121 Ų121116.3 Ų116.357%0.56561%0.613SS**Hα-helixtrans-65.9-35.7174.7-168.4164.9173.500111.7E54 S61 L62E54-E58 WeakPolarHBondContact O-CB 3.43Å; E54-E58 PolarHBondContact O-N 2.85Å; E58-S61 PolarHBondContact O-N 3.26Å; E58-L62 WeakPolarHBondContact O-CG 3.43Å; E58-L62 PolarHBondContact O-N 2.9Å
59Q56.3Low58.2Low147 Ų147117.2 Ų117.269%0.68763%0.625SS**Hα-helixtrans-69.2-35.5173.5-172.9169.464.100113L55 Q56 V57L55-Q59 WeakPolarHBondContact O-CB 3.43Å; L55-Q59 PolarHBondContact O-N 2.86Å; Q56-Q59 PolarHBondContact O-N 3.44Å; V57-Q59 VanDerWaalsContact C-N 3.32Å; V57-Q59 PolarHBondContact O-N 3.15Å
60I53.4Low56.3Low115 Ų115122.5 Ų122.559%0.5964%0.639SS**Hα-helixtrans-75-31.2175.4-65.4160.3000111Q56 V57 L62 E63Q56-I60 HydrophobicContact CG-CD1 3.95Å; Q56-I60 WeakPolarHBondContact O-CD1 3.35Å; Q56-I60 WeakPolarHBondContact O-CG1 2.93Å; Q56-I60 PolarHBondContact O-N 3.21Å; V57-I60 PolarHBondContact O-N 2.99Å; I60-L62 VanDerWaalsContact C-N 3.31Å; I60-L62 PolarHBondContact O-N 3.43Å; I60-E63 PolarHBondContact O-N 2.74Å
61S50.3Low54.3Low92 Ų92125.8 Ų125.864%0.64366%0.655SS**Hα-helixtrans-74.2-19.1177.5-172.70000113.8V57 E58V57-S61 WeakPolarHBondContact O-CB 3.43Å; V57-S61 PolarHBondContact O-N 3.07Å; E58-S61 PolarHBondContact O-N 3.26Å
62L48.5Very low52.4Low143 Ų143128 Ų12875%0.74968%0.676SS**THydrogen-bonded Turntrans-92.71.1177.4-70.8172000113.6E58 I60E58-L62 WeakPolarHBondContact O-CG 3.43Å; E58-L62 PolarHBondContact O-N 2.9Å; I60-L62 VanDerWaalsContact C-N 3.31Å; I60-L62 PolarHBondContact O-N 3.43Å
63E44Very low50.7Low148 Ų148124.9 Ų124.969%0.69267%0.673SS**  trans-116.275.3179-149.6-76.4113.400109.2I60I60-E63 PolarHBondContact O-N 2.74Å
64P44.5Very low48.9Very low106 Ų106128.7 Ų128.769%0.68869%0.687SS**SBend-151.180.412434.7-15000111.8
65L45Very low47.3Very low163 Ų163133 Ų13385%0.85370%0.699SS**  trans175.7107.8142.1-151.369.2000108
66Q35Very low45.9Very low178 Ų178135.6 Ų135.683%0.83271%0.706SS**  trans175.986.3139.3-85.2-10638.100108.4S68Q66-S68 PolarHBondContact O-N 3.07Å
67E35.4Very low44.5Very low189 Ų189133.1 Ų133.188%0.88371%0.706SS**  trans-71.7112.8165.9-177.1163.5172.300110
68S35.9Very low43.8Very low97 Ų97135.4 Ų135.468%0.67871%0.71SS**  trans66.6152.6156.6-1380000117Q66Q66-S68 PolarHBondContact O-N 3.07Å
69P38.1Very low43Very low113 Ų113136.5 Ų136.573%0.73472%0.715SS**  cis-131.9148.626.420.45.8000117P71P69-P71 VanDerWaalsContact O-CD 3.23Å; P69-P71 WeakPolarHBondContact O-CD 3.43Å
70R45.3Very low42.5Very low231 Ų231133.3 Ų133.387%0.87271%0.714SS**  trans-50.2126.6171.9-177.2-166.6-118.9165.7-1.2112.5
71P41.1Very low42.2Very low103 Ų103130.8 Ų130.867%0.66971%0.71SS**  trans-117.5107.3156.3166.8000110.2P69 G73P69-P71 VanDerWaalsContact O-CD 3.23Å; P69-P71 WeakPolarHBondContact O-CD 3.43Å; P71-G73 PolarHBondContact O-N 3.5Å; P71-G73 VanDerWaalsContact O-N 3.16Å
72T44.4Very low42.1Very low137 Ų137129.8 Ų129.884%0.8470%0.7SS**THydrogen-bonded Turntrans-48.4108.5161.7-54.20000110
73G42.3Very low42Very low55 Ų55128 Ų12857%0.56769%0.688SS**THydrogen-bonded Turntrans161-7.8169.800000121.2P71 W75P71-G73 PolarHBondContact O-N 3.5Å; P71-G73 VanDerWaalsContact O-N 3.16Å; G73-W75 PolarHBondContact O-N 3.2Å
74I40.3Very low42.3Very low138 Ų138123.4 Ų123.471%0.70868%0.681SS**THydrogen-bonded Turntrans-99.551.1-170-40.2-179.6000113.1A77I74-A77 HydrophobicContact CG2-CB 4.28Å
75W36.8Very low42.7Very low199 Ų199123.3 Ų123.375%0.75467%0.673SS**THydrogen-bonded Turntrans-99.2-14.7175.265.1-56.9000113.4G73G73-W75 PolarHBondContact O-N 3.2Å
76K39.9Very low43.1Very low160 Ų160122.4 Ų122.470%0.69666%0.659SS**SBendtrans-87.5-13-178.4-71.3-174.4175.6-179.90115.3
77A39.7Very low44Very low66 Ų66115.9 Ų115.955%0.54564%0.639SS.*SBendtrans-86.8-18.5178.800000113.3I74I74-A77 HydrophobicContact CG2-CB 4.28Å
78Q44Very low45Very low142 Ų142112.7 Ų112.766%0.66462%0.624SS**Hα-helixtrans-77-23.3-176.7-168.1160.8-8.400112.9T82Q78-T82 WeakPolarHBondContact O-CG2 3.31Å; Q78-T82 PolarHBondContact O-N 2.93Å; Q78-T82 PolarHBondContact O-OG1 3.35Å
79E42.9Very low45.9Very low144 Ų144117 Ų11767%0.67363%0.625SS**Hα-helixtrans-74.4-30.7177.6-71-178.6150.600113T82E79-T82 PolarHBondContact O-OG1 2.85Å; E79-T82 VanDerWaalsContact O-OG1 3.06Å
80A45.9Very low46.7Very low80 Ų80117.2 Ų117.266%0.66162%0.615SS**Hα-helixtrans-73.6-33.9177.400000112.5
81A47.4Very low47.3Very low62 Ų62112.2 Ų112.251%0.51260%0.603SS.*Hα-helixtrans-74.8-31.4-18000000112.8I85A81-I85 WeakPolarHBondContact O-CD1 3.47Å; A81-I85 WeakPolarHBondContact O-CG1 3.12Å
82T47.8Very low48.2Very low71 Ų71110.5 Ų110.544%0.43659%0.59SS.*Hα-helixtrans-73.9-27.4178.250.10000112.7Q78 E79 I85 R86Q78-T82 WeakPolarHBondContact O-CG2 3.31Å; Q78-T82 PolarHBondContact O-N 2.93Å; Q78-T82 PolarHBondContact O-OG1 3.35Å; E79-T82 PolarHBondContact O-OG1 2.85Å; E79-T82 VanDerWaalsContact O-OG1 3.06Å; T82-I85 PolarHBondContact O-N 2.92Å; T82-R86 WeakPolarHBondContact O-CB 3.47Å; T82-R86 PolarHBondContact O-N 3.27Å
83E45.9Very low48.9Very low105 Ų105109.4 Ų109.449%0.49158%0.579SS.*Hα-helixtrans-71.8-35.2178.3-148.658-154.900112.3R86 G87E83-R86 PolarHBondContact O-N 3.46Å; E83-G87 PolarHBondContact O-N 2.89Å
84G50.1Low49.5Very low53 Ų53116.1 Ų116.155%0.54659%0.588SS.*Hα-helixtrans-63.4-40.217200000113R86 G87 H88G84-R86 VanDerWaalsContact C-N 3.34Å; G84-G87 PolarHBondContact O-N 3.21Å; G84-H88 PolarHBondContact O-N 3.45Å; G84-H88 VanDerWaalsContact O-N 3.08Å
85I53.7Low50.3Low103 Ų103114.4 Ų114.453%0.52858%0.584SS.*Hα-helixtrans-68.4-35.6176.6-62166.9000110.8A81 T82 R89A81-I85 WeakPolarHBondContact O-CD1 3.47Å; A81-I85 WeakPolarHBondContact O-CG1 3.12Å; T82-I85 PolarHBondContact O-N 2.92Å; I85-R89 PolarHBondContact O-N 2.98Å
86R53.2Low51.3Low145 Ų145111.5 Ų111.555%0.54758%0.583SS.*Hα-helixtrans-71-37.5176.7-158.2176.7-166.7-146.26.3112.4T82 E83 G84 K90T82-R86 WeakPolarHBondContact O-CB 3.47Å; T82-R86 PolarHBondContact O-N 3.27Å; E83-R86 PolarHBondContact O-N 3.46Å; G84-R86 VanDerWaalsContact C-N 3.34Å; R86-K90 WeakPolarHBondContact O-CG 3.41Å; R86-K90 PolarHBondContact O-N 2.88Å
87G54.5Low51.8Low40 Ų40114.3 Ų114.341%0.41259%0.589SS.*Hα-helixtrans-63-43.2172.300000112.4E83 G84 R89 K90 M91E83-G87 PolarHBondContact O-N 2.89Å; G84-G87 PolarHBondContact O-N 3.21Å; G87-R89 PolarHBondContact O-N 3.16Å; G87-K90 PolarHBondContact O-N 3.47Å; G87-M91 PolarHBondContact O-N 2.88Å; G87-M91 VanDerWaalsContact O-N 3.09Å
88H56.5Low52.2Low123 Ų123114 Ų11457%0.56959%0.586SS**Hα-helixtrans-63.3-43178.5-163.771.6000112.4G84 K90 M91 V92G84-H88 PolarHBondContact O-N 3.45Å; G84-H88 VanDerWaalsContact O-N 3.08Å; H88-K90 PolarHBondContact O-N 3.3Å; H88-M91 PolarHBondContact O-N 2.78Å; H88-V92 WeakPolarHBondContact O-CG2 3.41Å; H88-V92 PolarHBondContact O-N 2.85Å
89R54.4Low52.6Low186 Ų186112.9 Ų112.970%0.70259%0.591SS**Hα-helixtrans-64.1-36.2174.3-80.7-177.8172.7166-1.1113.4I85 G87 L93I85-R89 PolarHBondContact O-N 2.98Å; G87-R89 PolarHBondContact O-N 3.16Å; R89-L93 WeakPolarHBondContact O-CG 3.17Å; R89-L93 PolarHBondContact O-N 2.95Å
90K55Low53.2Low119 Ų119117.6 Ų117.652%0.51760%0.603SS.*Hα-helixtrans-67.2-37.1176.5-75.2174.6-178.5174.60112R86 G87 H88 L93 Y94R86-K90 WeakPolarHBondContact O-CG 3.41Å; R86-K90 PolarHBondContact O-N 2.88Å; G87-K90 PolarHBondContact O-N 3.47Å; H88-K90 PolarHBondContact O-N 3.3Å; K90-L93 PolarHBondContact O-N 2.78Å; K90-Y94 PolarHBondContact O-N 3.04Å
91M58.1Low53.7Low125 Ų125118.6 Ų118.662%0.61661%0.605SS**Hα-helixtrans-68.1-39.9178.8-165.5152.874.200112.3G87 H88 L93 Y94 T95G87-M91 PolarHBondContact O-N 2.88Å; G87-M91 VanDerWaalsContact O-N 3.09Å; H88-M91 PolarHBondContact O-N 2.78Å; M91-L93 VanDerWaalsContact C-N 3.32Å; M91-L93 PolarHBondContact O-N 2.69Å; M91-Y94 PolarHBondContact O-N 3.23Å; M91-T95 PolarHBondContact O-N 3.4Å; M91-T95 VanDerWaalsContact O-N 3.09Å; M91-T95 PolarHBondContact O-OG1 3.24Å
92V59.3Low53.9Low68 Ų68121.4 Ų121.441%0.41262%0.618SS.*Hα-helixtrans-65.7-33.7175.2177.10000112.1H88 T95 L96H88-V92 WeakPolarHBondContact O-CG2 3.41Å; H88-V92 PolarHBondContact O-N 2.85Å; V92-T95 WeakPolarHBondContact CA-OG1 3.45Å; V92-T95 PolarHBondContact O-OG1 2.98Å; V92-L96 HydrophobicContact CG1-CD1 4.29Å; V92-L96 VanDerWaalsContact O-CG 3.3Å; V92-L96 WeakPolarHBondContact O-CG 3.44Å; V92-L96 PolarHBondContact O-N 3.46Å
93L58.3Low54.1Low114 Ų114127.2 Ų127.260%0.59764%0.637SS**Hα-helixtrans-75.2-31.1175.3-68.2173.4000112.6R89 K90 M91 L96 R97R89-L93 WeakPolarHBondContact O-CG 3.17Å; R89-L93 PolarHBondContact O-N 2.95Å; K90-L93 PolarHBondContact O-N 2.78Å; M91-L93 VanDerWaalsContact C-N 3.32Å; M91-L93 PolarHBondContact O-N 2.69Å; L93-L96 PolarHBondContact O-N 3.3Å; L93-R97 VanDerWaalsContact O-CB 3.25Å; L93-R97 WeakPolarHBondContact O-CB 3.45Å; L93-R97 PolarHBondContact O-N 3.19Å
94Y56.2Low54.4Low195 Ų195131.4 Ų131.477%0.76566%0.659SS**Hα-helixtrans-70.3-36.8175.7-133.5-86.4000112K90 M91 L96 R97 A98K90-Y94 PolarHBondContact O-N 3.04Å; M91-Y94 PolarHBondContact O-N 3.23Å; Y94-L96 VanDerWaalsContact C-N 3.34Å; Y94-R97 PolarHBondContact O-N 3.02Å; Y94-A98 PolarHBondContact O-N 2.74Å; Y94-A98 VanDerWaalsContact O-N 3.11Å
95T56.5Low54.5Low102 Ų102135.1 Ų135.163%0.62667%0.671SS**Hα-helixtrans-70.1-29.4175.151.60000112.9M91 V92M91-T95 PolarHBondContact O-N 3.4Å; M91-T95 VanDerWaalsContact O-N 3.09Å; M91-T95 PolarHBondContact O-OG1 3.24Å; V92-T95 WeakPolarHBondContact CA-OG1 3.45Å; V92-T95 PolarHBondContact O-OG1 2.98Å
96L57Low54.6Low138 Ų138141.6 Ų141.672%0.72369%0.689SS**Hα-helixtrans-82.5-25.7174.5-68.4172.5000113.6V92 L93 Y94V92-L96 HydrophobicContact CG1-CD1 4.29Å; V92-L96 VanDerWaalsContact O-CG 3.3Å; V92-L96 WeakPolarHBondContact O-CG 3.44Å; V92-L96 PolarHBondContact O-N 3.46Å; L93-L96 PolarHBondContact O-N 3.3Å; Y94-L96 VanDerWaalsContact C-N 3.34Å
97R50.5Low54.9Low220 Ų220138.3 Ų138.383%0.8370%0.7SS**Hα-helixtrans-92.9-8.1-179.9-166.2177.1-91.4-175-5.6113.5L93 Y94 P99L93-R97 VanDerWaalsContact O-CB 3.25Å; L93-R97 WeakPolarHBondContact O-CB 3.45Å; L93-R97 PolarHBondContact O-N 3.19Å; Y94-R97 PolarHBondContact O-N 3.02Å; R97-P99 WeakPolarHBondContact O-CD 3.22Å
98A48.6Very low55.1Low58 Ų58142.3 Ų142.348%0.47972%0.722SS.*SBendtrans-61.2111.9170.500000109Y94 R100Y94-A98 PolarHBondContact O-N 2.74Å; Y94-A98 VanDerWaalsContact O-N 3.11Å; A98-R100 PolarHBondContact O-N 3.39Å
99P52.2Low54.9Low119 Ų119139.9 Ų139.977%0.77373%0.729SS**  trans-65.3114.3172.626.8-28.2000105.8R97 S101R97-P99 WeakPolarHBondContact O-CD 3.22Å; P99-S101 PolarHBondContact O-N 3.46Å
100R56.7Low55.3Low243 Ų243133.2 Ų133.292%0.91771%0.711SS**  trans-51.2109.5167.7-78.8-179.1172.5162.7-1.8106.4A98A98-R100 PolarHBondContact O-N 3.39Å
101S56.2Low55.2Low101 Ų101136.5 Ų136.571%0.70673%0.726SS**  trans-50.1130.4173.145.40000107.7P99 K103P99-S101 PolarHBondContact O-N 3.46Å; S101-K103 PolarHBondContact O-N 3.21Å
102P51.3Low54.9Low121 Ų121134.4 Ų134.479%0.78674%0.736SS**  trans-64.7111.6177.624.7-29.6000106.8M104P102-M104 PolarHBondContact O-N 3.2Å
103K52.1Low54.8Low194 Ų194142.6 Ų142.684%0.84376%0.759SS**  trans-45.2119.4168-88.7177.1173.6172.40107.3S101 V105S101-K103 PolarHBondContact O-N 3.21Å; K103-V105 VanDerWaalsContact C-N 3.27Å; K103-V105 PolarHBondContact O-N 3.41Å
104M52.4Low54.7Low193 Ų193146.5 Ų146.595%0.95177%0.771SS**  trans-62.894.7169.6-70.7178.895.100107.4P102 R106P102-M104 PolarHBondContact O-N 3.2Å; M104-R106 PolarHBondContact O-N 2.97Å
105V52.3Low54.7Low130 Ų130144.8 Ų144.879%0.78877%0.772SS**  trans-78.2115.2166.5-179.70000106.4K103K103-V105 VanDerWaalsContact C-N 3.27Å; K103-V105 PolarHBondContact O-N 3.41Å
106R55.8Low54.9Low240 Ų240146.7 Ų146.791%0.90678%0.779SS**  trans-35.9139169.6-106.5173171.2-147-2.1112M104M104-R106 PolarHBondContact O-N 2.97Å
107G58.5Low55.1Low76 Ų76151.6 Ų151.678%0.78479%0.788SS**SBendtrans-56140.3-163.800000116.9
108S59.8Low55.7Low124 Ų124149.4 Ų149.487%0.86779%0.79SS**  trans164.9-2.1144.5580000112.4
109G52.2Low55.9Low71 Ų71151.5 Ų151.573%0.73280%0.801SS**  trans-91.8110.7-179.600000113.4F111G109-F111 PolarHBondContact O-N 3.48Å; G109-F111 VanDerWaalsContact O-N 3.09Å
110C61.6Low56Low46 Ų46150.7 Ų150.731%0.31180%0.799SS.*SBendtrans-79.436.9169.2-172.30000113.5C126C110-C126 WeakPolarHBondContact CA-SG 3.49Å; C110-C126 HydrophobicContact CB-CB 3.61Å; C110-C126 WeakPolarHBondContact CB-SG 3.36Å; C110-C126 WeakPolarHBondContact SG-CA 3.37Å; C110-C126 WeakPolarHBondContact SG-CB 3.49Å; C110-C126 PolarHBondContact SG-N 2.92Å; C110-C126 CovalentContact SG-SG 2.02Å; C110-C126 PolarHBondContact SG-SG 3.34Å
111F52.7Low55.9Low189 Ų189145.1 Ų145.183%0.82980%0.797SS**  trans-149.3113.5178-95.1-85.5000107.8G109G109-F111 PolarHBondContact O-N 3.48Å; G109-F111 VanDerWaalsContact O-N 3.09Å
112G53.1Low55.6Low80 Ų80144.8 Ų144.883%0.82580%0.795SS**  trans168.9-2.4-176.700000116.4
113R56.1Low55.7Low241 Ų241142.4 Ų142.491%0.90979%0.792SS**SBendtrans-115.1139.3168.1-71.5-174.2172.7-118.6-0.9110M115R113-M115 PolarHBondContact O-N 3.39Å
114K56.5Low55.9Low196 Ų196141.2 Ų141.285%0.85279%0.794SS**PPolyproline II helixtrans-47.3118.9-179.6-174.9-176.5179.7-169.90109D116K114-D116 PolarHBondContact O-N 3.47Å
115M57Low56.1Low159 Ų159134.9 Ų134.978%0.78378%0.779SS**PPolyproline II helixtrans-63.6121.1170.6-73.3-166.7-70.600107.9R113R113-M115 PolarHBondContact O-N 3.39Å
116D59.3Low56.1Low142 Ų142132.4 Ų132.476%0.75977%0.766SS**PPolyproline II helixtrans-68.1133.2171-116.7-17.5000108.6K114 I118K114-D116 PolarHBondContact O-N 3.47Å; D116-I118 PolarHBondContact O-N 3.48Å
117R63.3Low56.1Low241 Ų241130.7 Ų130.791%0.90977%0.765SS**PPolyproline II helixtrans-62.5132.3-174.1-79.5178.9166.7160.1-5.1109.5S119R117-S119 PolarHBondContact O-N 2.95Å; R117-S119 VanDerWaalsContact O-N 3.17Å
118I62.5Low55.9Low173 Ų173132.9 Ų132.989%0.88776%0.763SS**SBendtrans-53.4112.8-171.3-60.2163.1000111.5D116D116-I118 PolarHBondContact O-N 3.48Å
119S53.4Low55.6Low102 Ų102134.2 Ų134.271%0.71376%0.76SS**SBendtrans-159124.9135.145.10000108.4R117R117-S119 PolarHBondContact O-N 2.95Å; R117-S119 VanDerWaalsContact O-N 3.17Å
120S52.6Low55.7Low102 Ų102141.8 Ų141.871%0.71377%0.767SS**SBendtrans78.193.2-172.8770000116.9S122S120-S122 VanDerWaalsContact C-N 3.33Å; S120-S122 PolarHBondContact O-N 2.99Å
121S54.8Low55.4Low127 Ų127150.9 Ų150.989%0.88879%0.794SS**  trans3537.8141.167.80000121G123S121-G123 PolarHBondContact O-N 3.44Å
122S49.5Very low55.1Low94 Ų94154.1 Ų154.166%0.65781%0.812SS**  trans-8983.9172.355.40000110.6S120 L124S120-S122 VanDerWaalsContact C-N 3.33Å; S120-S122 PolarHBondContact O-N 2.99Å; S122-L124 PolarHBondContact O-N 2.92Å
123G54.9Low55.2Low71 Ų71157.9 Ų157.973%0.73281%0.811SS**  trans-68.865.517000000112.9S121S121-G123 PolarHBondContact O-N 3.44Å
124L56.3Low55.1Low168 Ų168153.5 Ų153.588%0.8881%0.806SS**  trans-12452.5175.4-66.7173.5000111.2S122S122-L124 PolarHBondContact O-N 2.92Å
125G55Low55Low61 Ų61151.1 Ų151.163%0.62980%0.803SS**SBendtrans-90.4128.8150.200000107.9
126C53.4Low54.9Low78 Ų78150.6 Ų150.653%0.52780%0.804SS.*  trans-44.3133.3-168.1-240000114.9C110 V128C110-C126 WeakPolarHBondContact CA-SG 3.49Å; C110-C126 HydrophobicContact CB-CB 3.61Å; C110-C126 WeakPolarHBondContact CB-SG 3.36Å; C110-C126 WeakPolarHBondContact SG-CA 3.37Å; C110-C126 WeakPolarHBondContact SG-CB 3.49Å; C110-C126 PolarHBondContact SG-N 2.92Å; C110-C126 CovalentContact SG-SG 2.02Å; C110-C126 PolarHBondContact SG-SG 3.34Å; C126-V128 PolarHBondContact O-N 2.97Å
127K55Low54.6Low203 Ų203151.2 Ų151.288%0.88381%0.807SS**  trans-74.7110.6165.4-64.2-171.3179.1-179.30108.7L129K127-L129 PolarHBondContact O-N 3.13Å
128V54.1Low54.1Low123 Ų123145.2 Ų145.275%0.74580%0.8SS**  trans-73111163.6-173.30000106.5C126 R130C126-V128 PolarHBondContact O-N 2.97Å; V128-R130 PolarHBondContact O-N 3.38Å
129L55.3Low53.5Low152 Ų152143.2 Ų143.280%0.79679%0.794SS**  trans-67.5102.3171.1-142.9106.8000107.2K127 R131K127-L129 PolarHBondContact O-N 3.13Å; L129-R131 PolarHBondContact O-N 3.28Å
130R53.6Low53.5Low230 Ų230146.4 Ų146.487%0.86880%0.8SS**  trans-65.6118.3166.4-87.3-166.4173.7165-0.8107.3V128V128-R130 PolarHBondContact O-N 3.38Å
131R55Low53.5Low236 Ų236150.1 Ų150.189%0.89181%0.807SS**  trans-78.4127.8164.3-71.3-174.9-175.3174.30.6107.8L129L129-R131 PolarHBondContact O-N 3.28Å
132H45.5Very low53.4Low258 Ų258152.2 Ų152.2100%1.19480%0.8SS**  trans-76.50163.7-96-81.5000109.8

Retrieved 132 of 132 residues in 28.2 ms (Link to these results)