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Somatostatin

Inhibits the secretion of pituitary hormones, including that of growth hormone/somatotropin (GH1), PRL, ACTH, luteinizing hormone (LH) and TSH. Also impairs ghrelin- and GnRH-stimulated secretion of GH1 and LH; the inhibition of ghrelin-stimulated secretion of GH1 can be further increased by neuronostatin. May enhance low-glucose-induced glucagon release by pancreatic alpha cells. This effect may be mediated by binding to GPR107 and PKA activation (By similarity). May regulate cardiac contractile function (By similarity). May compromise cardiomyocyte viability. In the central nervous system, may impair memory retention and may affect hippocampal excitability. May also have anxiolytic and anorexigenic effects. May play a role in arterial pressure regulation (By similarity). May inhibit basal, but not ghrelin- or GnRH-stimulated secretion of GH1 or LH, but does not affect the release of other pituitary hormones, including PRL, ACTH, FSH or TSH. Potentiates inhibitory action of somatostatin on ghrelin-stimulated secretion of GH1, but not that on GnRH-stimulated secretion of LH (By similarity).

AlphaFold DB , UniProt , Accession P01168, Species PIG (Sus scrofa, Pig), Gene SST, Length 116 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
1M61.4Low85Confident210 Ų210113.7 Ų113.7100%1.03462%0.618SS**  0-34.80-66.2-169.6-179.500113.4S3 C4M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.43Å; M1-C4 PolarHBondContact O-N 3.32Å
2L70.4Confident85.6Confident146 Ų146108.6 Ų108.676%0.76460%0.603SS**Hα-helixtrans-57.3-39.4-180-138.782.9000113.5C4 R5 L6L2-C4 VanDerWaalsContact C-N 3.33Å; L2-C4 PolarHBondContact O-N 3.13Å; L2-R5 PolarHBondContact O-N 3.37Å; L2-L6 PolarHBondContact O-N 3.32Å; L2-L6 VanDerWaalsContact O-N 3.13Å
3S82.1Confident85.9Confident85 Ų85108.2 Ų108.259%0.59460%0.598SS**Hα-helixtrans-63-36.5-177.5-23.90000113.1M1 L6 Q7M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.43Å; S3-L6 PolarHBondContact O-N 3.5Å; S3-Q7 WeakPolarHBondContact O-CB 3.45Å; S3-Q7 VanDerWaalsContact O-CG 3.3Å; S3-Q7 WeakPolarHBondContact O-CG 3.35Å; S3-Q7 PolarHBondContact O-N 2.9Å
4C87.1Confident86.1Confident75 Ų75105.2 Ų105.251%0.50759%0.588SS.*Hα-helixtrans-69.7-42.3179.8-176.20000111M1 L2 L6 Q7 C8M1-C4 PolarHBondContact O-N 3.32Å; L2-C4 VanDerWaalsContact C-N 3.33Å; L2-C4 PolarHBondContact O-N 3.13Å; C4-L6 VanDerWaalsContact C-N 3.32Å; C4-L6 PolarHBondContact O-N 3.35Å; C4-Q7 PolarHBondContact O-N 3.2Å; C4-C8 WeakPolarHBondContact O-CB 3.48Å; C4-C8 PolarHBondContact O-N 3.33Å; C4-C8 PolarHBondContact O-SG 2.99Å
5R89.2Confident86.1Confident207 Ų207104.8 Ų104.878%0.78158%0.583SS**Hα-helixtrans-63-40.1175.8-68.3-161.3173.9-164.3-0.9112.2L2 C8 A9L2-R5 PolarHBondContact O-N 3.37Å; R5-C8 PolarHBondContact O-N 2.91Å; R5-A9 WeakPolarHBondContact O-CB 3.3Å; R5-A9 PolarHBondContact O-N 2.95Å
6L90Very high86.1Confident107 Ų107104.6 Ų104.656%0.5659%0.585SS**Hα-helixtrans-68-40.7179.2-148.5131000111.4L2 S3 C4 A9 L10L2-L6 PolarHBondContact O-N 3.32Å; L2-L6 VanDerWaalsContact O-N 3.13Å; S3-L6 PolarHBondContact O-N 3.5Å; C4-L6 VanDerWaalsContact C-N 3.32Å; C4-L6 PolarHBondContact O-N 3.35Å; L6-A9 PolarHBondContact O-N 3.43Å; L6-L10 HydrophobicContact CD2-CD1 3.98Å; L6-L10 WeakPolarHBondContact O-CG 3.27Å; L6-L10 PolarHBondContact O-N 3.4Å
7Q88.6Confident85.9Confident133 Ų133105.3 Ų105.362%0.62159%0.587SS**Hα-helixtrans-63.8-43.4172.7-75.6173.6-15.800112.4S3 C4 A9 L10 A11S3-Q7 WeakPolarHBondContact O-CB 3.45Å; S3-Q7 VanDerWaalsContact O-CG 3.3Å; S3-Q7 WeakPolarHBondContact O-CG 3.35Å; S3-Q7 PolarHBondContact O-N 2.9Å; C4-Q7 PolarHBondContact O-N 3.2Å; Q7-A9 VanDerWaalsContact C-N 3.35Å; Q7-A9 PolarHBondContact O-N 2.9Å; Q7-L10 PolarHBondContact O-N 3.47Å; Q7-A11 WeakPolarHBondContact O-CB 3.39Å; Q7-A11 PolarHBondContact O-N 3.41Å
8C91.1Very high85.5Confident75 Ų75102.9 Ų102.951%0.50758%0.583SS.*Hα-helixtrans-63-41175.6-680000111.9C4 R5 A11 A12C4-C8 WeakPolarHBondContact O-CB 3.48Å; C4-C8 PolarHBondContact O-N 3.33Å; C4-C8 PolarHBondContact O-SG 2.99Å; R5-C8 PolarHBondContact O-N 2.91Å; C8-A11 PolarHBondContact O-N 2.89Å; C8-A12 WeakPolarHBondContact O-CB 3.34Å; C8-A12 PolarHBondContact O-N 3.4Å
9A91.7Very high85Confident59 Ų59103.5 Ų103.549%0.48858%0.584SS.*Hα-helixtrans-64.2-45176.500000111.7R5 L6 Q7 A12 L13R5-A9 WeakPolarHBondContact O-CB 3.3Å; R5-A9 PolarHBondContact O-N 2.95Å; L6-A9 PolarHBondContact O-N 3.43Å; Q7-A9 VanDerWaalsContact C-N 3.35Å; Q7-A9 PolarHBondContact O-N 2.9Å; A9-A12 PolarHBondContact O-N 3.39Å; A9-L13 VanDerWaalsContact O-CB 3.27Å; A9-L13 WeakPolarHBondContact O-CB 3.37Å; A9-L13 PolarHBondContact O-N 3.04Å
10L92Very high84.1Confident108 Ų108100.2 Ų100.257%0.56557%0.573SS**Hα-helixtrans-63.9-40.6176-72.8173.3000112.2L6 Q7 L13 S14L6-L10 HydrophobicContact CD2-CD1 3.98Å; L6-L10 WeakPolarHBondContact O-CG 3.27Å; L6-L10 PolarHBondContact O-N 3.4Å; Q7-L10 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 2.69Å; L10-S14 WeakPolarHBondContact O-CB 3.41Å; L10-S14 PolarHBondContact O-N 2.87Å
11A92Very high83.1Confident46 Ų4698.1 Ų98.138%0.3857%0.574SS.*Hα-helixtrans-62.4-47.4175.200000111.2Q7 C8 L13 S14 I15Q7-A11 WeakPolarHBondContact O-CB 3.39Å; Q7-A11 PolarHBondContact O-N 3.41Å; C8-A11 PolarHBondContact O-N 2.89Å; A11-L13 VanDerWaalsContact C-N 3.34Å; A11-L13 PolarHBondContact O-N 3.28Å; A11-S14 PolarHBondContact O-N 3.44Å; A11-S14 PolarHBondContact O-OG 2.87Å; A11-I15 VanDerWaalsContact O-CG1 3.31Å; A11-I15 WeakPolarHBondContact O-CG1 3.31Å; A11-I15 PolarHBondContact O-N 3.36Å
12A91.4Very high83Confident52 Ų5293.2 Ų93.243%0.4356%0.555SS.*Hα-helixtrans-60-44.3176.100000111.8C8 A9 S14 I15 V16C8-A12 WeakPolarHBondContact O-CB 3.34Å; C8-A12 PolarHBondContact O-N 3.4Å; A9-A12 PolarHBondContact O-N 3.39Å; A12-S14 VanDerWaalsContact C-N 3.35Å; A12-S14 PolarHBondContact O-N 3.47Å; A12-I15 PolarHBondContact O-N 2.86Å; A12-V16 WeakPolarHBondContact O-CG2 3.35Å; A12-V16 PolarHBondContact O-N 2.95Å
13L90.4Very high82.2Confident104 Ų10491.9 Ų91.955%0.54555%0.553SS.*Hα-helixtrans-64.7-39.1179.2-157.3154.1000111.3A9 L10 A11 I15 V16 L17A9-L13 VanDerWaalsContact O-CB 3.27Å; A9-L13 WeakPolarHBondContact O-CB 3.37Å; A9-L13 PolarHBondContact O-N 3.04Å; L10-L13 PolarHBondContact O-N 2.69Å; A11-L13 VanDerWaalsContact C-N 3.34Å; A11-L13 PolarHBondContact O-N 3.28Å; L13-I15 VanDerWaalsContact C-N 3.35Å; L13-I15 PolarHBondContact O-N 3.46Å; L13-V16 PolarHBondContact O-N 2.91Å; L13-L17 HydrophobicContact CD2-CD1 3.41Å; L13-L17 VanDerWaalsContact CD2-CD1 3.41Å; L13-L17 HydrophobicContact CD2-CG 4.15Å; L13-L17 WeakPolarHBondContact O-CB 3.34Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.37Å
14S87.6Confident80.8Confident66 Ų6690.3 Ų90.346%0.46255%0.551SS.*Hα-helixtrans-63.8-37.7174.475.30000113L10 A11 A12 A18L10-S14 WeakPolarHBondContact O-CB 3.41Å; L10-S14 PolarHBondContact O-N 2.87Å; A11-S14 PolarHBondContact O-N 3.44Å; A11-S14 PolarHBondContact O-OG 2.87Å; A12-S14 VanDerWaalsContact C-N 3.35Å; A12-S14 PolarHBondContact O-N 3.47Å; S14-A18 WeakPolarHBondContact O-CB 3.48Å; S14-A18 PolarHBondContact O-N 2.92Å
15I87.2Confident79.2Confident99 Ų9988 Ų8851%0.50854%0.538SS..Hα-helixtrans-69.6-44.1177.1-67.1163.1000109.9A11 A12 L13 L17 A18 L19A11-I15 VanDerWaalsContact O-CG1 3.31Å; A11-I15 WeakPolarHBondContact O-CG1 3.31Å; A11-I15 PolarHBondContact O-N 3.36Å; A12-I15 PolarHBondContact O-N 2.86Å; L13-I15 VanDerWaalsContact C-N 3.35Å; L13-I15 PolarHBondContact O-N 3.46Å; I15-L17 VanDerWaalsContact C-N 3.35Å; I15-L17 PolarHBondContact O-N 3.22Å; I15-A18 PolarHBondContact O-N 3.48Å; I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 HydrophobicContact CG2-CG 4.27Å; I15-L19 WeakPolarHBondContact O-CB 3.45Å; I15-L19 VanDerWaalsContact O-CG 3.29Å; I15-L19 WeakPolarHBondContact O-CG 3.44Å; I15-L19 PolarHBondContact O-N 3.22Å
16V85.8Confident77.6Confident102 Ų10280.9 Ų80.962%0.61852%0.518SS*.Hα-helixtrans-61.7-43.1176.8171.60000111A12 L13 L19 G20A12-V16 WeakPolarHBondContact O-CG2 3.35Å; A12-V16 PolarHBondContact O-N 2.95Å; L13-V16 PolarHBondContact O-N 2.91Å; V16-L19 PolarHBondContact O-N 3.38Å; V16-G20 WeakPolarHBondContact O-CA 3.29Å; V16-G20 PolarHBondContact O-N 2.73Å
17L82.3Confident76.1Confident116 Ų11681 Ų8161%0.60753%0.528SS*.Hα-helixtrans-62.3-42.2174-81.1161.3000112.1L13 I15 G21L13-L17 HydrophobicContact CD2-CD1 3.41Å; L13-L17 VanDerWaalsContact CD2-CD1 3.41Å; L13-L17 HydrophobicContact CD2-CG 4.15Å; L13-L17 WeakPolarHBondContact O-CB 3.34Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.37Å; I15-L17 VanDerWaalsContact C-N 3.35Å; I15-L17 PolarHBondContact O-N 3.22Å; L17-G21 PolarHBondContact O-N 2.76Å
18A78.8Confident74.7Confident63 Ų6379.7 Ų79.752%0.52153%0.525SS..Hα-helixtrans-65.7-40.5178.300000111.9S14 I15 V22S14-A18 WeakPolarHBondContact O-CB 3.48Å; S14-A18 PolarHBondContact O-N 2.92Å; I15-A18 PolarHBondContact O-N 3.48Å; A18-V22 WeakPolarHBondContact O-CG2 3.21Å; A18-V22 PolarHBondContact O-N 3.4Å
19L76.3Confident73.4Confident114 Ų11480.8 Ų80.860%0.59753%0.531SS*.Hα-helixtrans-73.6-43.1177.7-67.2173.2000111.7I15 V16 V22 T23I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 HydrophobicContact CG2-CG 4.27Å; I15-L19 WeakPolarHBondContact O-CB 3.45Å; I15-L19 VanDerWaalsContact O-CG 3.29Å; I15-L19 WeakPolarHBondContact O-CG 3.44Å; I15-L19 PolarHBondContact O-N 3.22Å; V16-L19 PolarHBondContact O-N 3.38Å; L19-V22 WeakPolarHBondContact O-CB 3.48Å; L19-V22 PolarHBondContact O-N 2.86Å; L19-V22 VanDerWaalsContact O-N 3.14Å; L19-T23 PolarHBondContact O-N 3.48Å; L19-T23 VanDerWaalsContact O-N 3.12Å; L19-T23 PolarHBondContact O-OG1 3.02Å
20G67.6Low72Confident36 Ų3688 Ų8837%0.37155%0.546SS..Hα-helixtrans-65.7-37.8178.100000112.9V16 V22 T23 G24V16-G20 WeakPolarHBondContact O-CA 3.29Å; V16-G20 PolarHBondContact O-N 2.73Å; G20-V22 PolarHBondContact O-N 2.87Å; G20-T23 WeakPolarHBondContact CA-OG1 3.39Å; G20-T23 PolarHBondContact O-N 3.21Å; G20-T23 PolarHBondContact O-OG1 3.37Å; G20-G24 PolarHBondContact O-N 2.94Å
21G61.5Low70.5Confident57 Ų5787 Ų8759%0.58854%0.54SS*.Hα-helixtrans-66.2-25.6172.800000113.2L17L17-G21 PolarHBondContact O-N 2.76Å
22V59.1Low69.3Low107 Ų10790.8 Ų90.865%0.64855%0.545SS*.Hα-helixtrans-79.6-29.9174.3171.60000111.4A18 L19 G20 A25A18-V22 WeakPolarHBondContact O-CG2 3.21Å; A18-V22 PolarHBondContact O-N 3.4Å; L19-V22 WeakPolarHBondContact O-CB 3.48Å; L19-V22 PolarHBondContact O-N 2.86Å; L19-V22 VanDerWaalsContact O-N 3.14Å; G20-V22 PolarHBondContact O-N 2.87Å; V22-A25 WeakPolarHBondContact O-CB 3.41Å
23T54.9Low68.2Low118 Ų11893.1 Ų93.172%0.72455%0.547SS*.Hα-helixtrans-82.8-23.9177.553.80000114L19 G20 A25L19-T23 PolarHBondContact O-N 3.48Å; L19-T23 VanDerWaalsContact O-N 3.12Å; L19-T23 PolarHBondContact O-OG1 3.02Å; G20-T23 WeakPolarHBondContact CA-OG1 3.39Å; G20-T23 PolarHBondContact O-N 3.21Å; G20-T23 PolarHBondContact O-OG1 3.37Å; T23-A25 PolarHBondContact O-N 3.12Å
24G52Low67.2Low53 Ų5395.2 Ų95.255%0.54655%0.552SS.*THydrogen-bonded Turntrans-80.96.8171.200000114.4G20G20-G24 PolarHBondContact O-N 2.94Å
25A53.8Low66.2Low27 Ų2795.6 Ų95.622%0.22355%0.549CS..SBendtrans-69.612517900000109.9V22 T23 S27 R32V22-A25 WeakPolarHBondContact O-CB 3.41Å; T23-A25 PolarHBondContact O-N 3.12Å; A25-S27 PolarHBondContact O-N 3.14Å; A25-R32 VanDerWaalsContact CB-NH2 3.26Å
26P55.4Low65.4Low57 Ų5797.6 Ų97.637%0.3756%0.556SS.*  trans-54.7115.6-177.319.5-30.3000109.3D28 L31 R32P26-D28 PolarHBondContact O-N 2.85Å; P26-L31 HydrophobicContact CB-CB 4.49Å; P26-L31 HydrophobicContact CB-CD2 3.78Å; P26-L31 HydrophobicContact CG-CB 4.42Å; P26-L31 HydrophobicContact CG-CD2 3.58Å; P26-R32 PolarHBondContact O-NH1 3.34Å; P26-R32 VanDerWaalsContact O-NH1 3.12Å
27S57.8Low64.8Low109 Ų10998.8 Ų98.876%0.76255%0.552SS**  trans-59.8-11.3-177.6-49.30000112.8A25 P29A25-S27 PolarHBondContact O-N 3.14Å; S27-P29 VanDerWaalsContact O-CD 3.27Å; S27-P29 WeakPolarHBondContact O-CD 3.48Å
28D60Low63.9Low105 Ų10595.5 Ų95.556%0.56154%0.539SS*.  trans-70.3114.2179.2-80.2-31.8000111.7P26 R30 L31 R32P26-D28 PolarHBondContact O-N 2.85Å; D28-R30 PolarHBondContact O-N 2.97Å; D28-R30 VanDerWaalsContact O-N 3.09Å; D28-L31 HydrophobicContact CB-CB 4.24Å; D28-L31 PolarHBondContact O-N 2.84Å; D28-L31 VanDerWaalsContact O-N 3.11Å; D28-R32 PolarHBondContact O-N 2.87Å
29P64.3Low63.1Low98 Ų9898.2 Ų98.264%0.63654%0.544SS*.Hα-helixtrans-62.2-23.4179.125.9-34.2000111.9S27 Q33S27-P29 VanDerWaalsContact O-CD 3.27Å; S27-P29 WeakPolarHBondContact O-CD 3.48Å; P29-Q33 WeakPolarHBondContact O-CB 3.45Å; P29-Q33 PolarHBondContact O-N 3.42Å
30R62.8Low62.6Low211 Ų21196.2 Ų96.280%0.79654%0.544SS*.Hα-helixtrans-70.2-40.8176.9-57.1-168.1-154.8-162.67.7112.3D28 Q33 F34D28-R30 PolarHBondContact O-N 2.97Å; D28-R30 VanDerWaalsContact O-N 3.09Å; R30-Q33 PolarHBondContact O-N 3.46Å; R30-F34 WeakPolarHBondContact O-CB 3.45Å; R30-F34 PolarHBondContact O-N 3.21Å
31L60.5Low62.5Low87 Ų8798.4 Ų98.446%0.45556%0.559SS.*Hα-helixtrans-68.6-41.3179.9-133.982.4000110.2P26 D28 Q33 F34 L35P26-L31 HydrophobicContact CB-CB 4.49Å; P26-L31 HydrophobicContact CB-CD2 3.78Å; P26-L31 HydrophobicContact CG-CB 4.42Å; P26-L31 HydrophobicContact CG-CD2 3.58Å; D28-L31 HydrophobicContact CB-CB 4.24Å; D28-L31 PolarHBondContact O-N 2.84Å; D28-L31 VanDerWaalsContact O-N 3.11Å; L31-Q33 VanDerWaalsContact C-N 3.34Å; L31-Q33 PolarHBondContact O-N 3.29Å; L31-F34 PolarHBondContact O-N 3.41Å; L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.5Å; L31-L35 PolarHBondContact O-N 3.41Å
32R64.8Low62.3Low125 Ų12596.3 Ų96.347%0.47254%0.536SS..Hα-helixtrans-57.6-45171-78.7-168.4163.497.8-6.5112.3A25 P26 D28 F34 L35 Q36A25-R32 VanDerWaalsContact CB-NH2 3.26Å; P26-R32 PolarHBondContact O-NH1 3.34Å; P26-R32 VanDerWaalsContact O-NH1 3.12Å; D28-R32 PolarHBondContact O-N 2.87Å; R32-F34 VanDerWaalsContact C-N 3.33Å; R32-F34 PolarHBondContact O-N 2.9Å; R32-L35 PolarHBondContact O-N 3.46Å; R32-Q36 VanDerWaalsContact O-CB 3.26Å; R32-Q36 WeakPolarHBondContact O-CB 3.25Å; R32-Q36 PolarHBondContact O-N 3.02Å
33Q69.9Low62.2Low102 Ų10295.3 Ų95.348%0.47754%0.539SS..Hα-helixtrans-65.9-36.9178-164.6-174.611.200112.2P29 R30 L31 K37P29-Q33 WeakPolarHBondContact O-CB 3.45Å; P29-Q33 PolarHBondContact O-N 3.42Å; R30-Q33 PolarHBondContact O-N 3.46Å; L31-Q33 VanDerWaalsContact C-N 3.34Å; L31-Q33 PolarHBondContact O-N 3.29Å; Q33-K37 HydrophobicContact CG-CD 4.37Å; Q33-K37 WeakPolarHBondContact O-CB 3.29Å; Q33-K37 VanDerWaalsContact O-CG 3.23Å; Q33-K37 WeakPolarHBondContact O-CG 3.48Å; Q33-K37 PolarHBondContact O-N 3.24Å
34F69.1Low62.5Low147 Ų14793.2 Ų93.265%0.64554%0.541SS*.Hα-helixtrans-67.1-46176.2-172.8-97.8000111.5R30 L31 R32 Q36 K37 S38R30-F34 WeakPolarHBondContact O-CB 3.45Å; R30-F34 PolarHBondContact O-N 3.21Å; L31-F34 PolarHBondContact O-N 3.41Å; R32-F34 VanDerWaalsContact C-N 3.33Å; R32-F34 PolarHBondContact O-N 2.9Å; F34-Q36 PolarHBondContact O-N 3.04Å; F34-K37 PolarHBondContact O-N 3.27Å; F34-S38 WeakPolarHBondContact O-CB 3.38Å; F34-S38 PolarHBondContact O-N 3.32Å; F34-S38 PolarHBondContact O-OG 3.42Å
35L65.4Low62.8Low75 Ų7597.3 Ų97.339%0.39354%0.544SS..Hα-helixtrans-62.1-41.2174.8-74.4177.7000112.2L31 R32 S38 L39 L56L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.5Å; L31-L35 PolarHBondContact O-N 3.41Å; R32-L35 PolarHBondContact O-N 3.46Å; L35-S38 WeakPolarHBondContact CA-OG 3Å; L35-S38 PolarHBondContact O-N 3.45Å; L35-S38 PolarHBondContact O-OG 2.9Å; L35-L39 WeakPolarHBondContact O-CB 3.49Å; L35-L39 PolarHBondContact O-N 2.82Å; L35-L56 HydrophobicContact CD2-CD1 4.47Å
36Q70.4Confident63.3Low140 Ų140102.9 Ų102.965%0.65457%0.565SS**Hα-helixtrans-66.5-39.4177.6-170.2178.4-7.100111.6R32 F34 A40R32-Q36 VanDerWaalsContact O-CB 3.26Å; R32-Q36 WeakPolarHBondContact O-CB 3.25Å; R32-Q36 PolarHBondContact O-N 3.02Å; F34-Q36 PolarHBondContact O-N 3.04Å; Q36-A40 VanDerWaalsContact O-CB 3.24Å; Q36-A40 WeakPolarHBondContact O-CB 3.31Å; Q36-A40 PolarHBondContact O-N 3.44Å
37K73.5Confident63.5Low127 Ų127104.8 Ų104.855%0.55257%0.569SS**Hα-helixtrans-67-42.3174.5-76.1170.4-179.4171.20111.8Q33 F34 A40 A41Q33-K37 HydrophobicContact CG-CD 4.37Å; Q33-K37 WeakPolarHBondContact O-CB 3.29Å; Q33-K37 VanDerWaalsContact O-CG 3.23Å; Q33-K37 WeakPolarHBondContact O-CG 3.48Å; Q33-K37 PolarHBondContact O-N 3.24Å; F34-K37 PolarHBondContact O-N 3.27Å; K37-A40 PolarHBondContact O-N 3.19Å; K37-A41 WeakPolarHBondContact O-CB 3.08Å; K37-A41 PolarHBondContact O-N 2.9Å
38S63Low63.6Low48 Ų48103.3 Ų103.334%0.33655%0.552SS.*Hα-helixtrans-69.6-39.3179.368.40000111.7F34 L35 A41 A42F34-S38 WeakPolarHBondContact O-CB 3.38Å; F34-S38 PolarHBondContact O-N 3.32Å; F34-S38 PolarHBondContact O-OG 3.42Å; L35-S38 WeakPolarHBondContact CA-OG 3Å; L35-S38 PolarHBondContact O-N 3.45Å; L35-S38 PolarHBondContact O-OG 2.9Å; S38-A41 PolarHBondContact O-N 3.19Å; S38-A42 WeakPolarHBondContact O-CB 3.47Å; S38-A42 PolarHBondContact O-N 3.42Å
39L63.4Low63.9Low119 Ų119100 Ų10062%0.62354%0.539SS*.Hα-helixtrans-64.4-44.2173.7-170101.7000111.6L35 A41 A42 A43L35-L39 WeakPolarHBondContact O-CB 3.49Å; L35-L39 PolarHBondContact O-N 2.82Å; L39-A41 VanDerWaalsContact C-N 3.3Å; L39-A41 PolarHBondContact O-N 3.07Å; L39-A42 CarbonylContact O-C 3.53Å; L39-A42 PolarHBondContact O-N 2.91Å; L39-A43 PolarHBondContact O-N 3.37Å
40A66.3Low63.9Low72 Ų72100.4 Ų100.460%0.59553%0.531SS*.Hα-helixtrans-63.5-36.4175.500000112.1Q36 K37Q36-A40 VanDerWaalsContact O-CB 3.24Å; Q36-A40 WeakPolarHBondContact O-CB 3.31Å; Q36-A40 PolarHBondContact O-N 3.44Å; K37-A40 PolarHBondContact O-N 3.19Å
41A64.9Low64.2Low83 Ų8398 Ų9869%0.68652%0.523SS*.Hα-helixtrans-72.9-31.5173.700000112.8K37 S38 L39K37-A41 WeakPolarHBondContact O-CB 3.08Å; K37-A41 PolarHBondContact O-N 2.9Å; S38-A41 PolarHBondContact O-N 3.19Å; L39-A41 VanDerWaalsContact C-N 3.3Å; L39-A41 PolarHBondContact O-N 3.07Å
42A57.8Low64.5Low12 Ų1299.8 Ų99.810%0.09953%0.528CS..Hα-helixtrans-84.4-10179.100000113.6S38 L39 G44 K45 A49S38-A42 WeakPolarHBondContact O-CB 3.47Å; S38-A42 PolarHBondContact O-N 3.42Å; L39-A42 CarbonylContact O-C 3.53Å; L39-A42 PolarHBondContact O-N 2.91Å; A42-G44 PolarHBondContact O-N 2.85Å; A42-K45 CarbonylContact O-C 3.57Å; A42-K45 WeakPolarHBondContact O-CA 3.39Å; A42-K45 PolarHBondContact O-N 3.2Å; A42-A49 HydrophobicContact CB-CB 4.36Å
43A56.9Low64.9Low87 Ų8798.5 Ų98.572%0.71953%0.53SS*.THydrogen-bonded Turntrans-58.8-20.5177.200000113.4L39L39-A43 PolarHBondContact O-N 3.37Å
44G60.1Low64.9Low73 Ų7396.2 Ų96.275%0.75353%0.528SS*.THydrogen-bonded Turntrans-87.3-6.7171.300000115.3A42A42-G44 PolarHBondContact O-N 2.85Å
45K59.7Low65Low140 Ų14094.7 Ų94.761%0.60952%0.523SS*.  trans-143.970.9-175.4-66.6177.3-175.8172.60109.1A42 E47 L48A42-K45 CarbonylContact O-C 3.57Å; A42-K45 WeakPolarHBondContact O-CA 3.39Å; A42-K45 PolarHBondContact O-N 3.2Å; K45-E47 PolarHBondContact O-N 3.15Å; K45-L48 HydrophobicContact CB-CD1 4.02Å; K45-L48 HydrophobicContact CB-CG 4.34Å; K45-L48 HydrophobicContact CD-CD1 3.73Å; K45-L48 PolarHBondContact O-N 3.49Å
46Q62.4Low65.1Low143 Ų14396.3 Ų96.367%0.66853%0.531SS*.Hα-helixtrans-45.2-26.3-180-170.5-179.94.900114.2
47E60.2Low64.9Low98 Ų9895.3 Ų95.346%0.45853%0.53SS..Hα-helixtrans-69.2-39.1176.7-63.1-54.9119.800113.6K45 A49 K50 Y51K45-E47 PolarHBondContact O-N 3.15Å; E47-A49 VanDerWaalsContact C-N 3.35Å; E47-A49 PolarHBondContact O-N 2.95Å; E47-K50 WeakPolarHBondContact O-CB 3.35Å; E47-K50 PolarHBondContact O-N 3.41Å; E47-K50 IonicContact OE1-NZ 2.73Å; E47-K50 PolarHBondContact OE1-NZ 3.19Å; E47-K50 IonicContact OE2-NZ 3.87Å; E47-Y51 WeakPolarHBondContact O-CD2 3.28Å; E47-Y51 PolarHBondContact O-N 3.4Å
48L60.6Low64.5Low77 Ų7793.1 Ų93.140%0.40353%0.53SS..Hα-helixtrans-65.8-39.1-179.3-74.5172.4000111.8K45 K50 Y51 F52K45-L48 HydrophobicContact CB-CD1 4.02Å; K45-L48 HydrophobicContact CB-CG 4.34Å; K45-L48 HydrophobicContact CD-CD1 3.73Å; K45-L48 PolarHBondContact O-N 3.49Å; L48-K50 PolarHBondContact O-N 3.34Å; L48-Y51 PolarHBondContact O-N 3.13Å; L48-F52 HydrophobicContact CB-CE2 4.47Å; L48-F52 WeakPolarHBondContact O-CD2 3.42Å; L48-F52 PolarHBondContact O-N 3.12Å
49A65.5Low64.3Low36 Ų3697.8 Ų97.830%0.29855%0.547SS..Hα-helixtrans-60.7-35.1176.700000112A42 E47 L53A42-A49 HydrophobicContact CB-CB 4.36Å; E47-A49 VanDerWaalsContact C-N 3.35Å; E47-A49 PolarHBondContact O-N 2.95Å; A49-L53 VanDerWaalsContact O-CB 3.29Å; A49-L53 WeakPolarHBondContact O-CB 3.39Å; A49-L53 PolarHBondContact O-N 3.03Å
50K65.6Low63.9Low107 Ų10795.9 Ų95.947%0.46554%0.542SS..Hα-helixtrans-68.5-41.7176.9-65.3171.7-173.9168.20112.1E47 L48 L53 A54E47-K50 WeakPolarHBondContact O-CB 3.35Å; E47-K50 PolarHBondContact O-N 3.41Å; E47-K50 IonicContact OE1-NZ 2.73Å; E47-K50 PolarHBondContact OE1-NZ 3.19Å; E47-K50 IonicContact OE2-NZ 3.87Å; L48-K50 PolarHBondContact O-N 3.34Å; K50-L53 PolarHBondContact O-N 2.69Å; K50-A54 WeakPolarHBondContact O-CB 3.44Å; K50-A54 PolarHBondContact O-N 2.85Å
51Y67.7Low63.3Low161 Ų16199.5 Ų99.563%0.63155%0.551SS**Hα-helixtrans-66.2-44177.4-72.5-73.7000111.9E47 L48 L53 A54 E55E47-Y51 WeakPolarHBondContact O-CD2 3.28Å; E47-Y51 PolarHBondContact O-N 3.4Å; L48-Y51 PolarHBondContact O-N 3.13Å; Y51-L53 VanDerWaalsContact C-N 3.34Å; Y51-L53 PolarHBondContact O-N 2.97Å; Y51-A54 WeakPolarHBondContact O-CB 3.41Å; Y51-A54 PolarHBondContact O-N 3.49Å; Y51-E55 WeakPolarHBondContact O-CB 3.38Å; Y51-E55 PolarHBondContact O-N 2.99Å
52F68.3Low62.6Low124 Ų124104.3 Ų104.354%0.54456%0.559SS.*Hα-helixtrans-64.4-38.3175.6-77.6-66.7000112.7L48 E55 L56L48-F52 HydrophobicContact CB-CE2 4.47Å; L48-F52 WeakPolarHBondContact O-CD2 3.42Å; L48-F52 PolarHBondContact O-N 3.12Å; F52-E55 PolarHBondContact O-N 2.97Å; F52-L56 WeakPolarHBondContact O-CB 3.26Å; F52-L56 VanDerWaalsContact O-CG 3.28Å; F52-L56 WeakPolarHBondContact O-CG 3.14Å; F52-L56 PolarHBondContact O-N 2.85Å
53L71.6Confident62.2Low98 Ų98109.7 Ų109.751%0.51359%0.591SS.*Hα-helixtrans-64-43.9174.1-152.3-174.4000110.1A49 K50 Y51 E55 L56 L57A49-L53 VanDerWaalsContact O-CB 3.29Å; A49-L53 WeakPolarHBondContact O-CB 3.39Å; A49-L53 PolarHBondContact O-N 3.03Å; K50-L53 PolarHBondContact O-N 2.69Å; Y51-L53 VanDerWaalsContact C-N 3.34Å; Y51-L53 PolarHBondContact O-N 2.97Å; L53-E55 VanDerWaalsContact C-N 3.29Å; L53-E55 PolarHBondContact O-N 3.5Å; L53-L56 PolarHBondContact O-N 2.89Å; L53-L57 HydrophobicContact CD2-CD1 3.33Å; L53-L57 HydrophobicContact CD2-CD2 4.24Å; L53-L57 HydrophobicContact CD2-CG 3.46Å; L53-L57 VanDerWaalsContact CD2-CG 3.46Å; L53-L57 VanDerWaalsContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 VanDerWaalsContact O-CG 3.25Å; L53-L57 WeakPolarHBondContact O-CG 3.24Å; L53-L57 PolarHBondContact O-N 3.4Å
54A70.5Confident61.9Low54 Ų54113.4 Ų113.445%0.44659%0.594SS.*Hα-helixtrans-61.6-37.6175.500000112.3K50 Y51 L57 S58K50-A54 WeakPolarHBondContact O-CB 3.44Å; K50-A54 PolarHBondContact O-N 2.85Å; Y51-A54 WeakPolarHBondContact O-CB 3.41Å; Y51-A54 PolarHBondContact O-N 3.49Å; A54-L57 CarbonylContact O-C 3.14Å; A54-L57 PolarHBondContact O-N 2.8Å; A54-S58 VanDerWaalsContact O-CB 3.27Å; A54-S58 WeakPolarHBondContact O-CB 3.32Å; A54-S58 PolarHBondContact O-N 2.95Å; A54-S58 PolarHBondContact O-OG 3.29Å
55E72.1Confident61.4Low115 Ų115115 Ų11554%0.53759%0.585SS.*Hα-helixtrans-69.1-47.3177.1-165.9139-157.300111.5Y51 F52 L53 L57 S58 E59Y51-E55 WeakPolarHBondContact O-CB 3.38Å; Y51-E55 PolarHBondContact O-N 2.99Å; F52-E55 PolarHBondContact O-N 2.97Å; L53-E55 VanDerWaalsContact C-N 3.29Å; L53-E55 PolarHBondContact O-N 3.5Å; E55-L57 VanDerWaalsContact C-N 3.26Å; E55-L57 PolarHBondContact O-N 3.33Å; E55-S58 WeakPolarHBondContact CA-OG 3.36Å; E55-S58 WeakPolarHBondContact O-CA 3.16Å; E55-S58 PolarHBondContact O-N 3.48Å; E55-S58 PolarHBondContact O-OG 3.28Å; E55-E59 PolarHBondContact O-N 3.28Å
56L67.8Low61.1Low108 Ų108116.3 Ų116.357%0.56560%0.598SS**Hα-helixtrans-60.5-32.6172.7-71.1172.8000113.1L35 F52 L53 P60L35-L56 HydrophobicContact CD2-CD1 4.47Å; F52-L56 WeakPolarHBondContact O-CB 3.26Å; F52-L56 VanDerWaalsContact O-CG 3.28Å; F52-L56 WeakPolarHBondContact O-CG 3.14Å; F52-L56 PolarHBondContact O-N 2.85Å; L53-L56 PolarHBondContact O-N 2.89Å; L56-P60 WeakPolarHBondContact O-CD 3.26Å
57L66.2Low60.6Low120 Ų120113.7 Ų113.763%0.62860%0.601SS**Hα-helixtrans-80.6-18.5173.5-73.2-179.3000113.4L53 A54 E55 P60L53-L57 HydrophobicContact CD2-CD1 3.33Å; L53-L57 HydrophobicContact CD2-CD2 4.24Å; L53-L57 HydrophobicContact CD2-CG 3.46Å; L53-L57 VanDerWaalsContact CD2-CG 3.46Å; L53-L57 VanDerWaalsContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 VanDerWaalsContact O-CG 3.25Å; L53-L57 WeakPolarHBondContact O-CG 3.24Å; L53-L57 PolarHBondContact O-N 3.4Å; A54-L57 CarbonylContact O-C 3.14Å; A54-L57 PolarHBondContact O-N 2.8Å; E55-L57 VanDerWaalsContact C-N 3.26Å; E55-L57 PolarHBondContact O-N 3.33Å; L57-P60 WeakPolarHBondContact O-CD 3.2Å; L57-P60 WeakPolarHBondContact O-CG 3.42Å
58S64.3Low60Low80 Ų80114.2 Ų114.256%0.55961%0.607SS**Hα-helixtrans-83.9-26.4175.773.30000112.3A54 E55A54-S58 VanDerWaalsContact O-CB 3.27Å; A54-S58 WeakPolarHBondContact O-CB 3.32Å; A54-S58 PolarHBondContact O-N 2.95Å; A54-S58 PolarHBondContact O-OG 3.29Å; E55-S58 WeakPolarHBondContact CA-OG 3.36Å; E55-S58 WeakPolarHBondContact O-CA 3.16Å; E55-S58 PolarHBondContact O-N 3.48Å; E55-S58 PolarHBondContact O-OG 3.28Å
59E57.7Low59.4Low147 Ų147117.9 Ų117.969%0.68762%0.622SS**SBendtrans-84.6-9-178.6-141161.699.600117.6E55 N61E55-E59 PolarHBondContact O-N 3.28Å; E59-N61 PolarHBondContact O-N 2.93Å; E59-N61 VanDerWaalsContact O-N 3.13Å
60P55.7Low58.8Low79 Ų79120.5 Ų120.551%0.51364%0.636SS.*  trans-92.381-17736.4-27.2000110.1L56 L57L56-P60 WeakPolarHBondContact O-CD 3.26Å; L57-P60 WeakPolarHBondContact O-CD 3.2Å; L57-P60 WeakPolarHBondContact O-CG 3.42Å
61N52.9Low58.3Low147 Ų147123.2 Ų123.279%0.78665%0.65SS**SBendtrans-140.77.9169.4-90.3-48.4000115.3E59E59-N61 PolarHBondContact O-N 2.93Å; E59-N61 VanDerWaalsContact O-N 3.13Å
62Q51.1Low57.6Low184 Ų184120.1 Ų120.186%0.8665%0.645SS**SBendtrans-135.6-4.9-170.3-69.5-164.9-1.300119.3
63T50.2Low56.9Low125 Ų125120 Ų12077%0.76765%0.649SS**SBendtrans-125.5-10.9-163.844.40000120.3
64E50.8Low56.1Low166 Ų166119.3 Ų119.378%0.77665%0.652SS**  trans-149.343-168.7-59-174.6138.400115.5
65N49.6Very low55.6Low105 Ų105122.7 Ų122.756%0.56166%0.659SS**  trans-104.265.7167.1-158.6-13000111.3A67 L68N65-A67 PolarHBondContact O-N 2.99Å; N65-A67 PolarHBondContact OD1-N 3.34Å; N65-L68 HydrophobicContact CB-CD1 4.25Å; N65-L68 WeakPolarHBondContact ND2-CD1 3.44Å; N65-L68 PolarHBondContact OD1-N 3.01Å
66D52.5Low55Low168 Ų168119.7 Ų119.790%0.89865%0.653SS**THydrogen-bonded Turntrans-72.911.6167.2-79.4-45.9000112.5
67A52.8Low54.6Low88 Ų88117.3 Ų117.373%0.72765%0.649SS**THydrogen-bonded Turntrans-104.95.4177.400000113.1N65N65-A67 PolarHBondContact O-N 2.99Å; N65-A67 PolarHBondContact OD1-N 3.34Å
68L47.6Very low54.5Low110 Ų110118 Ų11858%0.57665%0.649SS**SBendtrans-91.1111.2165.9-75.5163.3000107.9N65N65-L68 HydrophobicContact CB-CD1 4.25Å; N65-L68 WeakPolarHBondContact ND2-CD1 3.44Å; N65-L68 PolarHBondContact OD1-N 3.01Å
69E47.7Very low54.7Low154 Ų154120.9 Ų120.972%0.7265%0.654SS**  trans-44.7139174.8-72.9-77.510200111.1E71E69-E71 PolarHBondContact O-N 3.43Å
70P53.2Low55.3Low91 Ų91118 Ų11859%0.59164%0.644SS**THydrogen-bonded Turntrans-67.67.4-170.528.1-36.1000115.4L73P70-L73 HydrophobicContact CB-CD1 3.87Å
71E53.7Low56Low163 Ų163120.6 Ų120.676%0.76265%0.649SS**THydrogen-bonded Turntrans-74.4-26.6176.9-73.6-151.39100113.2E69 L73 S74E69-E71 PolarHBondContact O-N 3.43Å; E71-L73 VanDerWaalsContact C-N 3.3Å; E71-L73 PolarHBondContact O-N 3.38Å; E71-S74 PolarHBondContact O-OG 2.9Å
72D52.8Low56.8Low97 Ų97119.8 Ų119.852%0.51964%0.642SS.*THydrogen-bonded Turntrans-81-7.4178.2-72.2-29.7000113.7S74 Q75 A76D72-S74 PolarHBondContact O-N 2.86Å; D72-Q75 PolarHBondContact O-N 2.91Å; D72-A76 PolarHBondContact O-N 2.7Å; D72-A76 VanDerWaalsContact O-N 3.15Å
73L55Low58Low121 Ų121119.1 Ų119.163%0.63463%0.631SS**Hα-helixtrans-69-23.5176.7-66.6172.9000112.7P70 E71 A77P70-L73 HydrophobicContact CB-CD1 3.87Å; E71-L73 VanDerWaalsContact C-N 3.3Å; E71-L73 PolarHBondContact O-N 3.38Å; L73-A77 PolarHBondContact O-N 3.34Å
74S54.9Low59.1Low84 Ų84116.6 Ų116.659%0.58761%0.613SS**Hα-helixtrans-67.2-39.5172.261.20000111.4E71 D72 A77 E78E71-S74 PolarHBondContact O-OG 2.9Å; D72-S74 PolarHBondContact O-N 2.86Å; S74-A77 PolarHBondContact O-N 3.48Å; S74-E78 PolarHBondContact O-N 3.37Å
75Q59.2Low60.2Low125 Ų125115 Ų11558%0.58461%0.606SS**Hα-helixtrans-75-32.6179.2-164.7167.829.500112.4D72 E78 Q79D72-Q75 PolarHBondContact O-N 2.91Å; Q75-E78 PolarHBondContact O-N 3.49Å; Q75-Q79 WeakPolarHBondContact O-CB 3.36Å; Q75-Q79 PolarHBondContact O-N 2.82Å
76A58.8Low61.4Low51 Ų51116 Ų11642%0.42161%0.61SS.*Hα-helixtrans-65.6-36.6174.100000112.6D72 Q79 D80D72-A76 PolarHBondContact O-N 2.7Å; D72-A76 VanDerWaalsContact O-N 3.15Å; A76-Q79 PolarHBondContact O-N 3.16Å; A76-D80 PolarHBondContact O-N 2.84Å
77A61.1Low62.3Low58 Ų58113.3 Ų113.348%0.47959%0.592SS.*Hα-helixtrans-66.4-43174.400000111.9L73 S74 Q79 D80 E81L73-A77 PolarHBondContact O-N 3.34Å; S74-A77 PolarHBondContact O-N 3.48Å; A77-Q79 VanDerWaalsContact C-N 3.3Å; A77-Q79 PolarHBondContact O-N 3.35Å; A77-D80 PolarHBondContact O-N 3.24Å; A77-E81 PolarHBondContact O-N 2.93Å
78E63.5Low63.2Low135 Ų135117.6 Ų117.663%0.63159%0.589SS**Hα-helixtrans-63.5-36.4174-69.4-167.7153.300112.1S74 Q75 M82S74-E78 PolarHBondContact O-N 3.37Å; Q75-E78 PolarHBondContact O-N 3.49Å; E78-M82 WeakPolarHBondContact O-CB 3.28Å; E78-M82 PolarHBondContact O-N 3.45Å
79Q67.5Low64.1Low141 Ų141115.3 Ų115.366%0.65958%0.582SS**Hα-helixtrans-70.6-34.6178.9-150.7178.627.400112.3Q75 A76 A77 R83Q75-Q79 WeakPolarHBondContact O-CB 3.36Å; Q75-Q79 PolarHBondContact O-N 2.82Å; A76-Q79 PolarHBondContact O-N 3.16Å; A77-Q79 VanDerWaalsContact C-N 3.3Å; A77-Q79 PolarHBondContact O-N 3.35Å; Q79-R83 WeakPolarHBondContact O-CB 3.23Å; Q79-R83 PolarHBondContact O-N 3.46Å
80D70.9Confident64.8Low87 Ų87110.8 Ų110.847%0.46557%0.571SS.*Hα-helixtrans-74.4-37.2175.2-161.438.1000112A76 A77 R83 L84A76-D80 PolarHBondContact O-N 2.84Å; A77-D80 PolarHBondContact O-N 3.24Å; D80-R83 WeakPolarHBondContact O-CB 3.27Å; D80-R83 PolarHBondContact O-N 2.98Å; D80-L84 WeakPolarHBondContact O-CB 3.48Å; D80-L84 VanDerWaalsContact O-CG 3.28Å; D80-L84 WeakPolarHBondContact O-CG 3.35Å; D80-L84 PolarHBondContact O-N 3.31Å
81E71.4Confident65.1Low133 Ų133113 Ų11362%0.62158%0.579SS**Hα-helixtrans-60.4-46.5169.3-76.8-168.6163.500111.3A77 R83 L84 E85A77-E81 PolarHBondContact O-N 2.93Å; E81-R83 VanDerWaalsContact C-N 3.29Å; E81-R83 PolarHBondContact O-N 2.83Å; E81-L84 PolarHBondContact O-N 3.12Å; E81-L84 VanDerWaalsContact O-N 3.16Å; E81-E85 WeakPolarHBondContact O-CG 3.49Å; E81-E85 PolarHBondContact O-N 3.11Å
82M69.4Low65.4Low129 Ų129109.3 Ų109.364%0.63557%0.571SS**Hα-helixtrans-61.5-37.4175.9-166.6-171.9-58.300111.8E78 E85 L86E78-M82 WeakPolarHBondContact O-CB 3.28Å; E78-M82 PolarHBondContact O-N 3.45Å; M82-E85 PolarHBondContact O-N 2.67Å; M82-L86 WeakPolarHBondContact O-CB 3.41Å; M82-L86 PolarHBondContact O-N 3.44Å
83R75.7Confident65.5Low170 Ų170109 Ų10964%0.64257%0.569SS**Hα-helixtrans-66-42.2174.4-179.4-174.9166.885.51.3111.8Q79 D80 E81 L86 Q87Q79-R83 WeakPolarHBondContact O-CB 3.23Å; Q79-R83 PolarHBondContact O-N 3.46Å; D80-R83 WeakPolarHBondContact O-CB 3.27Å; D80-R83 PolarHBondContact O-N 2.98Å; E81-R83 VanDerWaalsContact C-N 3.29Å; E81-R83 PolarHBondContact O-N 2.83Å; R83-L86 PolarHBondContact O-N 3.48Å; R83-Q87 WeakPolarHBondContact O-CB 3.25Å; R83-Q87 PolarHBondContact O-N 2.93Å
84L73.7Confident65.7Low73 Ų73108.5 Ų108.538%0.38257%0.573SS.*Hα-helixtrans-67.7-37.2176.7-73.6166.8000111.8D80 E81 Q87 R88D80-L84 WeakPolarHBondContact O-CB 3.48Å; D80-L84 VanDerWaalsContact O-CG 3.28Å; D80-L84 WeakPolarHBondContact O-CG 3.35Å; D80-L84 PolarHBondContact O-N 3.31Å; E81-L84 PolarHBondContact O-N 3.12Å; E81-L84 VanDerWaalsContact O-N 3.16Å; L84-Q87 PolarHBondContact O-N 3.11Å; L84-R88 PolarHBondContact O-N 3.05Å
85E74.2Confident66Low133 Ų133108.2 Ų108.262%0.62158%0.575SS**Hα-helixtrans-66.5-40.6172-72.6-161.3160.600111.9E81 M82 Q87 R88 S89E81-E85 WeakPolarHBondContact O-CG 3.49Å; E81-E85 PolarHBondContact O-N 3.11Å; M82-E85 PolarHBondContact O-N 2.67Å; E85-Q87 VanDerWaalsContact C-N 3.32Å; E85-Q87 PolarHBondContact O-N 3.09Å; E85-R88 PolarHBondContact O-N 2.86Å; E85-S89 WeakPolarHBondContact O-CB 3.45Å; E85-S89 PolarHBondContact O-N 3.43Å; E85-S89 PolarHBondContact O-OG 3.21Å
86L74.6Confident65.8Low125 Ų125110.5 Ų110.565%0.65459%0.588SS**Hα-helixtrans-64-38.3174.4-151.984.1000111.6M82 R83 S89 A90M82-L86 WeakPolarHBondContact O-CB 3.41Å; M82-L86 PolarHBondContact O-N 3.44Å; R83-L86 PolarHBondContact O-N 3.48Å; L86-S89 VanDerWaalsContact CA-OG 3.26Å; L86-S89 WeakPolarHBondContact CA-OG 3.23Å; L86-S89 PolarHBondContact O-N 2.91Å; L86-S89 PolarHBondContact O-OG 3.07Å; L86-S89 VanDerWaalsContact O-OG 3.12Å; L86-A90 VanDerWaalsContact O-CB 3.23Å; L86-A90 WeakPolarHBondContact O-CB 3.38Å; L86-A90 PolarHBondContact O-N 3.25Å
87Q70.8Confident65.7Low111 Ų111111 Ų11152%0.51959%0.592SS.*Hα-helixtrans-71-37.1176.8-167.4166.346.600112.2R83 L84 E85 N91R83-Q87 WeakPolarHBondContact O-CB 3.25Å; R83-Q87 PolarHBondContact O-N 2.93Å; L84-Q87 PolarHBondContact O-N 3.11Å; E85-Q87 VanDerWaalsContact C-N 3.32Å; E85-Q87 PolarHBondContact O-N 3.09Å; Q87-N91 PolarHBondContact O-N 3.29Å; Q87-N91 VanDerWaalsContact O-N 3.1Å; Q87-N91 PolarHBondContact O-ND2 2.84Å
88R70.9Confident65.8Low179 Ų179114.4 Ų114.468%0.67561%0.609SS**Hα-helixtrans-64-44.6170.9-102.4-174-150.391.11.4112L84 E85 N91 S92L84-R88 PolarHBondContact O-N 3.05Å; E85-R88 PolarHBondContact O-N 2.86Å; R88-N91 PolarHBondContact O-N 3.3Å; R88-S92 PolarHBondContact O-N 3.43Å; R88-S92 VanDerWaalsContact O-N 3.07Å
89S66.6Low65.7Low61 Ų61113.6 Ų113.643%0.42760%0.601SS.*Hα-helixtrans-71.1-33.6-179.746.10000111.9E85 L86 N91 S92E85-S89 WeakPolarHBondContact O-CB 3.45Å; E85-S89 PolarHBondContact O-N 3.43Å; E85-S89 PolarHBondContact O-OG 3.21Å; L86-S89 VanDerWaalsContact CA-OG 3.26Å; L86-S89 WeakPolarHBondContact CA-OG 3.23Å; L86-S89 PolarHBondContact O-N 2.91Å; L86-S89 PolarHBondContact O-OG 3.07Å; L86-S89 VanDerWaalsContact O-OG 3.12Å; S89-N91 VanDerWaalsContact C-N 3.32Å; S89-N91 PolarHBondContact O-N 3Å; S89-S92 WeakPolarHBondContact CA-OG 3.41Å; S89-S92 PolarHBondContact O-N 2.92Å; S89-S92 VanDerWaalsContact O-N 3.11Å; S89-S92 PolarHBondContact O-OG 3.42Å
90A63.9Low65.5Low59 Ų59115.7 Ų115.749%0.48861%0.611SS.*Hα-helixtrans-63.4-34.9169.600000113L86 S92 N93L86-A90 VanDerWaalsContact O-CB 3.23Å; L86-A90 WeakPolarHBondContact O-CB 3.38Å; L86-A90 PolarHBondContact O-N 3.25Å; A90-S92 VanDerWaalsContact C-N 3.3Å; A90-N93 VanDerWaalsContact O-CB 3.25Å; A90-N93 WeakPolarHBondContact O-CB 3.18Å; A90-N93 PolarHBondContact O-N 3.1Å
91N59.5Low65Low139 Ų139118.7 Ų118.774%0.74362%0.615SS**Hα-helixtrans-76.8-16.2173.8-72.5-18.7000113.3Q87 R88 S89Q87-N91 PolarHBondContact O-N 3.29Å; Q87-N91 VanDerWaalsContact O-N 3.1Å; Q87-N91 PolarHBondContact O-ND2 2.84Å; R88-N91 PolarHBondContact O-N 3.3Å; S89-N91 VanDerWaalsContact C-N 3.32Å; S89-N91 PolarHBondContact O-N 3Å
92S58.8Low64.5Low85 Ų85119.7 Ų119.759%0.59462%0.618SS**THydrogen-bonded Turntrans-84.35.7171.476.60000113.6R88 S89 A90 P94R88-S92 PolarHBondContact O-N 3.43Å; R88-S92 VanDerWaalsContact O-N 3.07Å; S89-S92 WeakPolarHBondContact CA-OG 3.41Å; S89-S92 PolarHBondContact O-N 2.92Å; S89-S92 VanDerWaalsContact O-N 3.11Å; S89-S92 PolarHBondContact O-OG 3.42Å; A90-S92 VanDerWaalsContact C-N 3.3Å; S92-P94 WeakPolarHBondContact O-CD 3.41Å; S92-P94 VanDerWaalsContact O-N 3.08Å
93N56.2Low64.3Low89 Ų89119 Ų11948%0.47663%0.632SS.*  trans-63.7112.5-178.5-152.1-32.1000109.5A90 A95 M96A90-N93 VanDerWaalsContact O-CB 3.25Å; A90-N93 WeakPolarHBondContact O-CB 3.18Å; A90-N93 PolarHBondContact O-N 3.1Å; N93-A95 PolarHBondContact O-N 3.44Å; N93-M96 PolarHBondContact O-N 2.99Å
94P58.3Low63.9Low111 Ų111114.6 Ų114.672%0.72164%0.64SS**THydrogen-bonded Turntrans-63.3-10.7-175.424.9-33000112.7S92 M96S92-P94 WeakPolarHBondContact O-CD 3.41Å; S92-P94 VanDerWaalsContact O-N 3.08Å; P94-M96 VanDerWaalsContact C-N 3.28Å; P94-M96 PolarHBondContact O-N 3.37Å
95A60.5Low63.2Low78 Ų78112.7 Ų112.765%0.64563%0.632SS**THydrogen-bonded Turntrans-67.7-20.4172.300000114.3N93N93-A95 PolarHBondContact O-N 3.44Å
96M56.1Low62.9Low174 Ų174115.8 Ų115.886%0.85764%0.643SS**SBendtrans-111.60.7178.4-78.3-171.9174.800114.3N93 P94N93-M96 PolarHBondContact O-N 2.99Å; P94-M96 VanDerWaalsContact C-N 3.28Å; P94-M96 PolarHBondContact O-N 3.37Å
97A57.5Low62.4Low61 Ų61114.6 Ų114.650%0.50464%0.638SS.*SBendtrans-59.9134.4174.300000110R99A97-R99 PolarHBondContact O-N 2.99Å
98P61.8Low61.8Low129 Ų129116.8 Ų116.884%0.83865%0.646SS**  trans-53.1104.3173.8-25.133.7000109.5E100P98-E100 PolarHBondContact O-N 3.07Å
99R61.4Low61.2Low118 Ų118115 Ų11545%0.44564%0.643SS.*PPolyproline II helixtrans-61.7117.8-174.7-167176.9-165.2-157.71108.7A97 R101 T114A97-R99 PolarHBondContact O-N 2.99Å; R99-R101 PolarHBondContact O-N 2.89Å; R99-T114 PolarHBondContact NH1-OG1 3.33Å; R99-T114 PolarHBondContact NH2-OG1 3.25Å
100E63.4Low60.8Low186 Ų186122.9 Ų122.987%0.86966%0.664SS**PPolyproline II helixtrans-53123.1179.8-143.5-179.7-154.400109.6P98P98-E100 PolarHBondContact O-N 3.07Å
101R61.3Low60.7Low150 Ų150128 Ų12857%0.56668%0.675SS**PPolyproline II helixtrans-78.7128.2171.6-69-170.3135.286.712.1108.2R99 A103 F108R99-R101 PolarHBondContact O-N 2.89Å; R101-A103 PolarHBondContact O-N 3.05Å; R101-F108 VanDerWaalsContact CZ-CD2 3.45Å; R101-F108 VanDerWaalsContact CZ-CE1 3.44Å
102K60.3Low60.6Low154 Ų154125.5 Ų125.567%0.6767%0.665SS**PPolyproline II helixtrans-60.5125.1165.9-70.2-167.7178.1-159.10109G104 C105K102-G104 PolarHBondContact O-N 3.4Å; K102-C105 PolarHBondContact O-N 2.84Å
103A65.9Low60.4Low113 Ų113129 Ų12993%0.93467%0.67SS**THydrogen-bonded Turntrans-55.3120172.300000109.1R101R101-A103 PolarHBondContact O-N 3.05Å
104G66.4Low60.2Low78 Ų78129.6 Ų129.680%0.80468%0.677SS**THydrogen-bonded Turntrans118-12-179.100000116K102 K106K102-G104 PolarHBondContact O-N 3.4Å; G104-K106 PolarHBondContact O-N 2.82Å
105C59.1Low60Low33 Ų33128.3 Ų128.322%0.22367%0.67CS.*  trans-83112178.6-172.30000112.3K102 S115 C116K102-C105 PolarHBondContact O-N 2.84Å; C105-S115 PolarHBondContact SG-O 3.18Å; C105-C116 WeakPolarHBondContact CA-OXT 2.93Å; C105-C116 VanDerWaalsContact CB-C 3.49Å; C105-C116 WeakPolarHBondContact CB-OXT 3.12Å; C105-C116 PolarHBondContact SG-O 3.33Å; C105-C116 PolarHBondContact SG-OXT 3.43Å
106K67.7Low59.7Low198 Ų198130 Ų13086%0.86168%0.676SS**  trans-89.5-1.8-178.9-164164.1176.3177.30114.1G104G104-K106 PolarHBondContact O-N 2.82Å
107N63.7Low59.8Low101 Ų101127.8 Ų127.854%0.5467%0.667SS.*  trans-106.6102.5-173.2-68.4-36000112F109N107-F109 HydrophobicContact CB-CD2 4.13Å; N107-F109 HydrophobicContact CB-CE2 4.38Å; N107-F109 PolarHBondContact O-N 3.22Å
108F57.7Low60Low156 Ų156131.3 Ų131.368%0.68468%0.676SS**  trans-84.988.1166.3-112.9-95.7000108.9R101R101-F108 VanDerWaalsContact CZ-CD2 3.45Å; R101-F108 VanDerWaalsContact CZ-CE1 3.44Å
109F58.7Low59.9Low141 Ų141131.4 Ų131.462%0.61867%0.667SS**  trans-99.6108.2164.4-81.4-87.8000109.2N107 K111 T112N107-F109 HydrophobicContact CB-CD2 4.13Å; N107-F109 HydrophobicContact CB-CE2 4.38Å; N107-F109 PolarHBondContact O-N 3.22Å; F109-K111 PolarHBondContact O-N 3.24Å; F109-T112 PolarHBondContact O-N 3.12Å
110W58.6Low59.8Low227 Ų227132.2 Ų132.286%0.8668%0.68SS**THydrogen-bonded Turntrans-52.8-3.8174.962.3-64.1000115.5
111K62.1Low59.6Low166 Ų166128.9 Ų128.972%0.72267%0.668SS**THydrogen-bonded Turntrans-116.6-0.4-169.3-125.1178.8-171.3178.30115.4F109F109-K111 PolarHBondContact O-N 3.24Å
112T56.8Low59.4Low87 Ų87127.5 Ų127.553%0.53468%0.675SS.*  trans-144116.2179.651.90000111.3F109 T114F109-T112 PolarHBondContact O-N 3.12Å; T112-T114 PolarHBondContact O-N 3.17Å
113F54.7Low59.4Low160 Ų160125.6 Ų125.670%0.70268%0.675SS**SBendtrans-50.8114.1156.9-116.5-121.2000106.6
114T53Low58.9Low101 Ų101126.5 Ų126.562%0.6266%0.655SS**  trans67.3109169.127.70000118.4R99 T112R99-T114 PolarHBondContact NH1-OG1 3.33Å; R99-T114 PolarHBondContact NH2-OG1 3.25Å; T112-T114 PolarHBondContact O-N 3.17Å
115S53.7Low58.2Low83 Ų83130.6 Ų130.658%0.5864%0.643SS**  trans-150.3140.113361.20000108.2C105C105-S115 PolarHBondContact SG-O 3.18Å
116C53.2Low58.2Low114 Ų114139.5 Ų139.577%0.7768%0.681SS**  trans-590-167.4-59.70000117C105C105-C116 WeakPolarHBondContact CA-OXT 2.93Å; C105-C116 VanDerWaalsContact CB-C 3.49Å; C105-C116 WeakPolarHBondContact CB-OXT 3.12Å; C105-C116 PolarHBondContact SG-O 3.33Å; C105-C116 PolarHBondContact SG-OXT 3.43Å

Retrieved 116 of 116 residues in 19 ms (Link to these results)