A0A096NCR4_PAPAN Loading...

Natriuretic peptides A

Hormone produced in the kidneys that appears to be important for maintaining cardio-renal homeostasis. Mediates vasodilation, natriuresis and diuresis primarily in the renal system, in order to maintain the extracellular fluid volume and control the fluid-electrolyte balance. Specifically binds and stimulates cGMP production by renal transmembrane receptors, likely NPR1. Urodilatin not ANP, may be the natriuretic peptide responsible for the regulation of sodium and water homeostasis in the kidney. May have a role in cardio-renal homeostasis through regulation of diuresis and inhibiting aldosterone synthesis. In vitro, promotes the production of cGMP and induces vasodilation. May promote natriuresis, at least in part, by enhancing prostaglandin E2 synthesis resulting in the inhibition of renal Na+-K+-ATPase. May have a role in potassium excretion but not sodium excretion (natriuresis). Possibly enhances protein excretion in urine by decreasing proximal tubular protein reabsorption. May have a role in cardio-renal homeostasis through regulation of natriuresis and vasodilation. In vivo promotes natriuresis and in vitro, vasodilates renal artery strips. May have a role in cardio-renal homeostasis through regulation of natriuresis and vasodilation. In vivo promotes natriuresis. In vitro, selectively vasodilates intestinal and vascular smooth muscle strips. May have a role in cardio-renal homeostasis through regulation of natriuresis and vasodilation. In vivo promotes natriuresis. In vitro, selectively vasodilates intestinal smooth muscle but not vascular smooth muscle strips. May have a role in cardio-renal homeostasis through regulation of natriuresis, diuresis, vasodilation, and inhibiting aldosterone synthesis. In vitro, promotes the production of cGMP and induces vasodilation. May promote natriuresis, at least in part, by enhancing prostaglandin E2 synthesis resulting in the inhibition of renal Na+-K+-ATPase. However reports on the involvement of this peptide in mammal blood volume and blood pressure homeostasis are conflicting; according to a report, in vivo it is not sufficient to activate cGMP and does not inhibit collecting duct transport nor effect diuresis and natriuresis. Appears to bind to specific receptors that are distinct from the receptors bound by atrial natriuretic peptide and vessel dilator. Possibly enhances protein excretion in urine by decreasing proximal tubular protein reabsorption. May have a role in cardio-renal homeostasis through regulation of regulation of natriuresis and vasodilation. In vivo promotes natriuresis. In vitro, vasodilates intestinal smooth muscle but not smooth muscle strips.

AlphaFold DB (A0A2K5VBM2), UniProt , Accession A0A096NCR4, Species PAPAN (Papio anubis, Olive baboon), Gene NPPA, Length 153 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
1M61.6Low79.1Confident210 Ų210103.8 Ų103.8100%1.03459%0.586SS**  0-27.20-75.2145.871.700113.3
2S61.6Low79.7Confident91 Ų91104.3 Ų104.364%0.63659%0.585SS**Hα-helixtrans-66-38.9179.447.60000114.6F4 S5 T6S2-F4 PolarHBondContact O-N 2.96Å; S2-S5 WeakPolarHBondContact O-CB 3.39Å; S2-S5 PolarHBondContact O-N 3.37Å; S2-T6 PolarHBondContact O-N 2.92Å; S2-T6 VanDerWaalsContact O-N 3.12Å
3S69.8Low80.3Confident73 Ų73103.3 Ų103.351%0.5158%0.576SS.*Hα-helixtrans-66.8-32.5-175.9-44.50000114S5 T6 I7S3-S5 VanDerWaalsContact C-N 3.32Å; S3-T6 PolarHBondContact O-N 3.11Å; S3-T6 PolarHBondContact O-OG1 3.18Å; S3-I7 VanDerWaalsContact O-CD1 3.29Å; S3-I7 WeakPolarHBondContact O-CD1 3.3Å; S3-I7 WeakPolarHBondContact O-CG1 3.47Å; S3-I7 PolarHBondContact O-N 2.79Å; S3-I7 VanDerWaalsContact O-N 3.16Å
4F72.4Confident80.6Confident162 Ų162104.9 Ų104.971%0.71158%0.575SS**Hα-helixtrans-69.2-34.7175.6-66.1-73.2000111.6S2 S8S2-F4 PolarHBondContact O-N 2.96Å; F4-S8 PolarHBondContact O-N 3.27Å; F4-S8 PolarHBondContact O-OG 2.92Å
5S80.1Confident80.6Confident68 Ų68102.3 Ų102.348%0.47656%0.559SS.*Hα-helixtrans-70.1-35.6176.8-170.80000112.4S2 S3 S8 V9S2-S5 WeakPolarHBondContact O-CB 3.39Å; S2-S5 PolarHBondContact O-N 3.37Å; S3-S5 VanDerWaalsContact C-N 3.32Å; S5-S8 WeakPolarHBondContact CA-OG 3.38Å; S5-S8 PolarHBondContact O-OG 3.28Å; S5-V9 WeakPolarHBondContact O-CB 3.46Å; S5-V9 WeakPolarHBondContact O-CG2 3.18Å; S5-V9 PolarHBondContact O-N 3.47Å
6T85.3Confident80.5Confident90 Ų9099.7 Ų99.755%0.55256%0.556SS**Hα-helixtrans-72.6-37.2177.355.70000111.5S2 S3 V9 S10S2-T6 PolarHBondContact O-N 2.92Å; S2-T6 VanDerWaalsContact O-N 3.12Å; S3-T6 PolarHBondContact O-N 3.11Å; S3-T6 PolarHBondContact O-OG1 3.18Å; T6-V9 PolarHBondContact O-N 2.92Å; T6-S10 VanDerWaalsContact O-CB 3.29Å; T6-S10 WeakPolarHBondContact O-CB 3.24Å; T6-S10 PolarHBondContact O-N 2.83Å
7I87.2Confident80Confident112 Ų112102.8 Ų102.857%0.57456%0.562SS**Hα-helixtrans-65-44.7174.7-65163.1000110.6S3 S10 F11S3-I7 VanDerWaalsContact O-CD1 3.29Å; S3-I7 WeakPolarHBondContact O-CD1 3.3Å; S3-I7 WeakPolarHBondContact O-CG1 3.47Å; S3-I7 PolarHBondContact O-N 2.79Å; S3-I7 VanDerWaalsContact O-N 3.16Å; I7-S10 PolarHBondContact O-N 3.17Å; I7-F11 VanDerWaalsContact O-CB 3.31Å; I7-F11 WeakPolarHBondContact O-CB 3.09Å; I7-F11 PolarHBondContact O-N 3.36Å
8S86.8Confident79.4Confident55 Ų55104 Ų10439%0.38556%0.563SS.*Hα-helixtrans-65-40.9177.663.80000112.2F4 S5 F11 L12F4-S8 PolarHBondContact O-N 3.27Å; F4-S8 PolarHBondContact O-OG 2.92Å; S5-S8 WeakPolarHBondContact CA-OG 3.38Å; S5-S8 PolarHBondContact O-OG 3.28Å; S8-F11 PolarHBondContact O-N 2.88Å; S8-L12 WeakPolarHBondContact O-CB 3.35Å; S8-L12 WeakPolarHBondContact O-CG 3.48Å; S8-L12 PolarHBondContact O-N 3.48Å
9V88.6Confident78.4Confident76 Ų76103.8 Ų103.846%0.46156%0.561SS.*Hα-helixtrans-65.1-42.4177169.30000111.1S5 T6 L12 L13S5-V9 WeakPolarHBondContact O-CB 3.46Å; S5-V9 WeakPolarHBondContact O-CG2 3.18Å; S5-V9 PolarHBondContact O-N 3.47Å; T6-V9 PolarHBondContact O-N 2.92Å; V9-L12 PolarHBondContact O-N 2.88Å; V9-L13 HydrophobicContact CG1-CD1 4.18Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 PolarHBondContact O-N 3.35Å
10S87.9Confident77.5Confident78 Ų78102.5 Ų102.555%0.54556%0.558SS.*Hα-helixtrans-65.2-41177.2-162.20000111.9T6 I7 L13 F14T6-S10 VanDerWaalsContact O-CB 3.29Å; T6-S10 WeakPolarHBondContact O-CB 3.24Å; T6-S10 PolarHBondContact O-N 2.83Å; I7-S10 PolarHBondContact O-N 3.17Å; S10-L13 PolarHBondContact O-N 3.04Å; S10-F14 WeakPolarHBondContact O-CB 3.36Å; S10-F14 PolarHBondContact O-N 2.81Å
11F88.6Confident76.5Confident127 Ų127100.7 Ų100.756%0.55756%0.564SS**Hα-helixtrans-65.3-42.2175.5-174.8-106.8000112.3I7 S8 F14 L15I7-F11 VanDerWaalsContact O-CB 3.31Å; I7-F11 WeakPolarHBondContact O-CB 3.09Å; I7-F11 PolarHBondContact O-N 3.36Å; S8-F11 PolarHBondContact O-N 2.88Å; F11-F14 PolarHBondContact O-N 2.9Å; F11-L15 HydrophobicContact CD1-CD1 3.85Å; F11-L15 HydrophobicContact CD1-CG 4.4Å; F11-L15 HydrophobicContact CE1-CD1 3.42Å; F11-L15 VanDerWaalsContact CE1-CD1 3.42Å; F11-L15 HydrophobicContact CE1-CG 4.11Å; F11-L15 HydrophobicContact CZ-CD1 3.91Å; F11-L15 HydrophobicContact CZ-CD2 4.34Å; F11-L15 HydrophobicContact CZ-CG 4.22Å; F11-L15 WeakPolarHBondContact O-CG 3.2Å; F11-L15 PolarHBondContact O-N 3.4Å
12L87.1Confident76.2Confident110 Ų11099.3 Ų99.358%0.57656%0.555SS**Hα-helixtrans-64.3-40.7175.3-72.7170.9000112.1S8 V9 L15 A16S8-L12 WeakPolarHBondContact O-CB 3.35Å; S8-L12 WeakPolarHBondContact O-CG 3.48Å; S8-L12 PolarHBondContact O-N 3.48Å; V9-L12 PolarHBondContact O-N 2.88Å; L12-L15 PolarHBondContact O-N 2.76Å; L12-A16 VanDerWaalsContact O-CB 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 2.66Å
13L86.9Confident75.9Confident91 Ų91100 Ų10048%0.47656%0.556SS.*Hα-helixtrans-60.4-47.4172.3-91.3159.6000110.9V9 S10 L15 A16 F17V9-L13 HydrophobicContact CG1-CD1 4.18Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 PolarHBondContact O-N 3.35Å; S10-L13 PolarHBondContact O-N 3.04Å; L13-L15 PolarHBondContact O-N 3.37Å; L13-A16 PolarHBondContact O-N 2.98Å; L13-A16 VanDerWaalsContact O-N 3.15Å; L13-F17 HydrophobicContact CD2-CD2 4.35Å; L13-F17 HydrophobicContact CD2-CE2 3.6Å; L13-F17 HydrophobicContact CD2-CZ 4.41Å; L13-F17 WeakPolarHBondContact O-CD2 3.27Å; L13-F17 PolarHBondContact O-N 3.11Å
14F85Confident75Confident126 Ų126106.3 Ų106.355%0.55357%0.568SS**Hα-helixtrans-59.4-45178.6-174.9-100.8000112.3S10 F11 F17 Q18S10-F14 WeakPolarHBondContact O-CB 3.36Å; S10-F14 PolarHBondContact O-N 2.81Å; F11-F14 PolarHBondContact O-N 2.9Å; F14-F17 PolarHBondContact O-N 3.17Å; F14-Q18 HydrophobicContact CD1-CG 4.26Å; F14-Q18 HydrophobicContact CE1-CG 3.92Å; F14-Q18 HydrophobicContact CE2-CG 4.2Å; F14-Q18 HydrophobicContact CZ-CG 3.89Å; F14-Q18 WeakPolarHBondContact O-CB 3.47Å; F14-Q18 VanDerWaalsContact O-CG 3.24Å; F14-Q18 WeakPolarHBondContact O-CG 3.17Å; F14-Q18 PolarHBondContact O-N 3.47Å; F14-Q18 VanDerWaalsContact O-N 3.07Å
15L80.9Confident74.2Confident65 Ų65102.8 Ų102.834%0.3457%0.569SS.*Hα-helixtrans-61.5-45173.8-70.6178.1000111.5F11 L12 L13 F17 Q18 L19F11-L15 HydrophobicContact CD1-CD1 3.85Å; F11-L15 HydrophobicContact CD1-CG 4.4Å; F11-L15 HydrophobicContact CE1-CD1 3.42Å; F11-L15 VanDerWaalsContact CE1-CD1 3.42Å; F11-L15 HydrophobicContact CE1-CG 4.11Å; F11-L15 HydrophobicContact CZ-CD1 3.91Å; F11-L15 HydrophobicContact CZ-CD2 4.34Å; F11-L15 HydrophobicContact CZ-CG 4.22Å; F11-L15 WeakPolarHBondContact O-CG 3.2Å; F11-L15 PolarHBondContact O-N 3.4Å; L12-L15 PolarHBondContact O-N 2.76Å; L13-L15 PolarHBondContact O-N 3.37Å; L15-F17 PolarHBondContact O-N 3.5Å; L15-Q18 PolarHBondContact O-N 2.93Å; L15-L19 HydrophobicContact CB-CD1 4Å; L15-L19 VanDerWaalsContact O-CB 3.25Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 WeakPolarHBondContact O-CD1 3.1Å; L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 2.98Å
16A77.6Confident72.8Confident61 Ų61105.2 Ų105.250%0.50458%0.577SS.*Hα-helixtrans-64.2-25179.700000113.8L12 L13 P20L12-A16 VanDerWaalsContact O-CB 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 2.66Å; L13-A16 PolarHBondContact O-N 2.98Å; L13-A16 VanDerWaalsContact O-N 3.15Å; A16-P20 WeakPolarHBondContact O-CD 3.46Å; A16-P20 VanDerWaalsContact O-CG 3.28Å; A16-P20 WeakPolarHBondContact O-CG 3.42Å
17F72.4Confident71.6Confident152 Ų152105.3 Ų105.367%0.66758%0.579SS**Hα-helixtrans-87.2-28.6173.9-76.8-68.3000113.7L13 F14 L15 P20L13-F17 HydrophobicContact CD2-CD2 4.35Å; L13-F17 HydrophobicContact CD2-CE2 3.6Å; L13-F17 HydrophobicContact CD2-CZ 4.41Å; L13-F17 WeakPolarHBondContact O-CD2 3.27Å; L13-F17 PolarHBondContact O-N 3.11Å; F14-F17 PolarHBondContact O-N 3.17Å; L15-F17 PolarHBondContact O-N 3.5Å; F17-P20 WeakPolarHBondContact O-CD 3.44Å; F17-P20 WeakPolarHBondContact O-CG 2.93Å
18Q69.3Low69.7Low125 Ų125107.7 Ų107.758%0.58459%0.59SS**Hα-helixtrans-85.1-35.2-179.9-67.7-77.792.400113.1F14 L15F14-Q18 HydrophobicContact CD1-CG 4.26Å; F14-Q18 HydrophobicContact CE1-CG 3.92Å; F14-Q18 HydrophobicContact CE2-CG 4.2Å; F14-Q18 HydrophobicContact CZ-CG 3.89Å; F14-Q18 WeakPolarHBondContact O-CB 3.47Å; F14-Q18 VanDerWaalsContact O-CG 3.24Å; F14-Q18 WeakPolarHBondContact O-CG 3.17Å; F14-Q18 PolarHBondContact O-N 3.47Å; F14-Q18 VanDerWaalsContact O-N 3.07Å; L15-Q18 PolarHBondContact O-N 2.93Å
19L60.7Low68.2Low100 Ų100115 Ų11552%0.52461%0.61SS.*G310 helixtrans-64.6-36179.1-71.5161.1000115.9L15 G21 Q22 T23L15-L19 HydrophobicContact CB-CD1 4Å; L15-L19 VanDerWaalsContact O-CB 3.25Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 WeakPolarHBondContact O-CD1 3.1Å; L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 2.98Å; L19-G21 PolarHBondContact O-N 2.9Å; L19-G21 VanDerWaalsContact O-N 3.13Å; L19-Q22 PolarHBondContact O-N 2.93Å; L19-T23 PolarHBondContact O-N 3.31Å
20P61.1Low66.9Low77 Ų77118 Ų11850%0.562%0.624SS.*G310 helixtrans-66.8-14.2-179.723.1-33.6000113.5A16 F17 Q22A16-P20 WeakPolarHBondContact O-CD 3.46Å; A16-P20 VanDerWaalsContact O-CG 3.28Å; A16-P20 WeakPolarHBondContact O-CG 3.42Å; F17-P20 WeakPolarHBondContact O-CD 3.44Å; F17-P20 WeakPolarHBondContact O-CG 2.93Å; P20-Q22 VanDerWaalsContact C-N 3.35Å
21G56.5Low66Low66 Ų66118.7 Ų118.768%0.6863%0.634SS**G310 helixtrans-74.5-20.7171.800000114.3L19L19-G21 PolarHBondContact O-N 2.9Å; L19-G21 VanDerWaalsContact O-N 3.13Å
22Q55.3Low65.2Low180 Ų180116.7 Ų116.784%0.84163%0.632SS**THydrogen-bonded Turntrans-104.6-16.8179.4-63.9-154.2-11.800113.7L19 P20 R24L19-Q22 PolarHBondContact O-N 2.93Å; P20-Q22 VanDerWaalsContact C-N 3.35Å; Q22-R24 PolarHBondContact O-N 2.74Å
23T54.3Low64.9Low107 Ų107113.8 Ų113.866%0.65662%0.621SS**  trans-90.351.5170.3620000110.9L19 A25L19-T23 PolarHBondContact O-N 3.31Å; T23-A25 PolarHBondContact O-N 3.12Å
24R50.8Low64.8Low204 Ų204116.2 Ų116.277%0.7763%0.634SS**  trans-73.294.5155.7-139179.5-166.3169.12.9104.4Q22 N26Q22-R24 PolarHBondContact O-N 2.74Å; R24-N26 PolarHBondContact O-N 2.93Å
25A56.2Low64.9Low89 Ų89113.2 Ų113.274%0.73663%0.633SS**  trans-54.799.6153.300000104.1T23 P27T23-A25 PolarHBondContact O-N 3.12Å; A25-P27 WeakPolarHBondContact O-CD 3.03Å
26N49.4Very low65.3Low119 Ų119113.7 Ų113.764%0.63664%0.636SS**  trans-57.1111.5173.8-79.8-66.1000104.4R24 M28R24-N26 PolarHBondContact O-N 2.93Å; N26-M28 PolarHBondContact O-N 3.28Å
27P60Low65.9Low91 Ų91115.5 Ų115.559%0.59164%0.636SS**  trans-57.6121.8167.125.9-30.4000104.5A25 Y29A25-P27 WeakPolarHBondContact O-CD 3.03Å; P27-Y29 HydrophobicContact CB-CD2 4.25Å; P27-Y29 PolarHBondContact O-N 2.94Å
28M48.3Very low66.9Low163 Ų163113.3 Ų113.380%0.80363%0.63SS**SBendtrans-6944.1171.5-77.8-82.215500110.2N26 N30N26-M28 PolarHBondContact O-N 3.28Å; M28-N30 VanDerWaalsContact C-N 3.3Å
29Y56Low68Low209 Ų209111.9 Ų111.982%0.8263%0.626SS**  trans-9968.7150.1-67-80.8000105P27 A31P27-Y29 HydrophobicContact CB-CD2 4.25Å; P27-Y29 PolarHBondContact O-N 2.94Å; Y29-A31 PolarHBondContact O-N 2.82Å
30N61.2Low69.6Low139 Ų139113 Ų11374%0.74363%0.627SS**  trans-58.9100.3153.1-98.3-41.9000104M28 V32M28-N30 VanDerWaalsContact C-N 3.3Å; N30-V32 PolarHBondContact O-N 3.2Å
31A68Low71.2Confident91 Ų91115 Ų11575%0.75263%0.627SS**PPolyproline II helixtrans-52.7117.1171.400000105.5Y29 S33Y29-A31 PolarHBondContact O-N 2.82Å; A31-S33 PolarHBondContact O-N 3.31Å
32V72.6Confident73Confident85 Ų85115.9 Ų115.952%0.51562%0.617SS.*PPolyproline II helixtrans-48.8121.1176.1178.90000106.4N30 D36 L37N30-V32 PolarHBondContact O-N 3.2Å; V32-D36 HydrophobicContact CG1-CB 3.75Å; V32-L37 HydrophobicContact CG1-CD1 4.41Å; V32-L37 HydrophobicContact CG1-CG 3.84Å
33S81.2Confident74.9Confident50 Ų50112.3 Ų112.335%0.3560%0.603SS.*PPolyproline II helixtrans-68.7151.8-176.374.70000108.6A31 A35 D36 L37A31-S33 PolarHBondContact O-N 3.31Å; S33-A35 PolarHBondContact O-N 3.14Å; S33-A35 VanDerWaalsContact O-N 3.09Å; S33-D36 WeakPolarHBondContact CB-OD2 3.44Å; S33-D36 PolarHBondContact N-OD2 2.61Å; S33-D36 VanDerWaalsContact N-OD2 3.13Å; S33-D36 PolarHBondContact O-N 3.34Å; S33-D36 PolarHBondContact OG-N 3.47Å; S33-D36 PolarHBondContact OG-OD2 3.18Å; S33-L37 PolarHBondContact O-N 2.86Å; S33-L37 VanDerWaalsContact O-N 3.08Å
34N83.4Confident76.8Confident142 Ų142112.7 Ų112.776%0.75960%0.6SS**Hα-helixtrans-57.6-25.6176-77.5-70.9000112.2M38N34-M38 PolarHBondContact O-N 3.19Å
35A87.1Confident78.9Confident63 Ų63106.7 Ų106.752%0.52158%0.584SS.*Hα-helixtrans-67.3-49.4173.300000111.4S33 L37 M38 D39S33-A35 PolarHBondContact O-N 3.14Å; S33-A35 VanDerWaalsContact O-N 3.09Å; A35-L37 VanDerWaalsContact C-N 3.28Å; A35-L37 PolarHBondContact O-N 3Å; A35-M38 WeakPolarHBondContact O-CB 3.19Å; A35-M38 PolarHBondContact O-N 3.36Å; A35-D39 PolarHBondContact O-N 3.36Å
36D89.4Confident80.6Confident75 Ų75106.8 Ų106.840%0.40157%0.569SS.*Hα-helixtrans-60.7-39.1178.2-55.3-42.9000111.5V32 S33 M38 D39 F40V32-D36 HydrophobicContact CG1-CB 3.75Å; S33-D36 WeakPolarHBondContact CB-OD2 3.44Å; S33-D36 PolarHBondContact N-OD2 2.61Å; S33-D36 VanDerWaalsContact N-OD2 3.13Å; S33-D36 PolarHBondContact O-N 3.34Å; S33-D36 PolarHBondContact OG-N 3.47Å; S33-D36 PolarHBondContact OG-OD2 3.18Å; D36-M38 VanDerWaalsContact C-N 3.34Å; D36-M38 PolarHBondContact O-N 2.02Å; D36-D39 PolarHBondContact O-N 2.96Å; D36-F40 WeakPolarHBondContact O-CD2 2.95Å; D36-F40 PolarHBondContact O-N 3.25Å
37L90.9Very high82.5Confident98 Ų98106.2 Ų106.251%0.51357%0.565SS.*Hα-helixtrans-62-39.6174.8-93.7163.9000112.6V32 S33 A35 K41V32-L37 HydrophobicContact CG1-CD1 4.41Å; V32-L37 HydrophobicContact CG1-CG 3.84Å; S33-L37 PolarHBondContact O-N 2.86Å; S33-L37 VanDerWaalsContact O-N 3.08Å; A35-L37 VanDerWaalsContact C-N 3.28Å; A35-L37 PolarHBondContact O-N 3Å; L37-K41 PolarHBondContact O-N 2.75Å
38M92.3Very high83.9Confident107 Ų107108.4 Ų108.453%0.52757%0.567SS.*Hα-helixtrans-67.8-40.2176.8-167.865.572.400111.1N34 A35 D36 K41 N42N34-M38 PolarHBondContact O-N 3.19Å; A35-M38 WeakPolarHBondContact O-CB 3.19Å; A35-M38 PolarHBondContact O-N 3.36Å; D36-M38 VanDerWaalsContact C-N 3.34Å; D36-M38 PolarHBondContact O-N 2.02Å; M38-K41 WeakPolarHBondContact O-CB 3.41Å; M38-K41 PolarHBondContact O-N 3.15Å; M38-K41 HydrophobicContact SD-CD 4.41Å; M38-N42 PolarHBondContact O-N 3.17Å; M38-N42 PolarHBondContact O-ND2 2.81Å; M38-N42 VanDerWaalsContact O-ND2 3.11Å
39D93.8Very high85.6Confident94 Ų94108.2 Ų108.250%0.50356%0.564SS.*Hα-helixtrans-63.6-42.5176.1-71.9-16.8000111.7A35 D36 K41 N42 L43A35-D39 PolarHBondContact O-N 3.36Å; D36-D39 PolarHBondContact O-N 2.96Å; D39-K41 VanDerWaalsContact C-N 3.31Å; D39-K41 PolarHBondContact O-N 3.15Å; D39-N42 PolarHBondContact O-N 3.05Å; D39-L43 WeakPolarHBondContact O-CG 3.2Å; D39-L43 PolarHBondContact O-N 3.06Å
40F94.4Very high86.9Confident125 Ų125104.7 Ų104.755%0.54855%0.553SS.*Hα-helixtrans-60.6-40.6172.8-80.8-61.5000112.4D36 L43 L44D36-F40 WeakPolarHBondContact O-CD2 2.95Å; D36-F40 PolarHBondContact O-N 3.25Å; F40-L43 PolarHBondContact O-N 3.04Å; F40-L44 WeakPolarHBondContact O-CG 3.41Å; F40-L44 PolarHBondContact O-N 3.4Å
41K94Very high87.4Confident117 Ų117104.1 Ų104.151%0.50955%0.548SS..Hα-helixtrans-61.3-47.8175.4-179.2177.1173.5174.30111.5L37 M38 D39 L43 L44 D45L37-K41 PolarHBondContact O-N 2.75Å; M38-K41 WeakPolarHBondContact O-CB 3.41Å; M38-K41 PolarHBondContact O-N 3.15Å; M38-K41 HydrophobicContact SD-CD 4.41Å; D39-K41 VanDerWaalsContact C-N 3.31Å; D39-K41 PolarHBondContact O-N 3.15Å; K41-L43 VanDerWaalsContact C-N 3.26Å; K41-L43 PolarHBondContact O-N 3.05Å; K41-L44 PolarHBondContact O-N 2.89Å; K41-L44 VanDerWaalsContact O-N 3.14Å; K41-D45 PolarHBondContact O-N 3.13Å
42N94.7Very high87.1Confident85 Ų85104.5 Ų104.546%0.45554%0.543SS..Hα-helixtrans-59.5-38.7178.2-65.7-34.2000112.1M38 D39 H46M38-N42 PolarHBondContact O-N 3.17Å; M38-N42 PolarHBondContact O-ND2 2.81Å; M38-N42 VanDerWaalsContact O-ND2 3.11Å; D39-N42 PolarHBondContact O-N 3.05Å; N42-H46 WeakPolarHBondContact O-CB 3.08Å; N42-H46 PolarHBondContact O-N 3.23Å; N42-H46 VanDerWaalsContact O-N 3.16Å
43L95.4Very high86.5Confident106 Ų106108 Ų10856%0.55556%0.558SS**Hα-helixtrans-66.7-41.4176.4-71.7173.1000112.3D39 F40 K41 H46 L47D39-L43 WeakPolarHBondContact O-CG 3.2Å; D39-L43 PolarHBondContact O-N 3.06Å; F40-L43 PolarHBondContact O-N 3.04Å; K41-L43 VanDerWaalsContact C-N 3.26Å; K41-L43 PolarHBondContact O-N 3.05Å; L43-H46 PolarHBondContact O-N 3.5Å; L43-L47 WeakPolarHBondContact O-CG 3.31Å; L43-L47 PolarHBondContact O-N 2.98Å
44L94.6Very high85.3Confident114 Ų114114 Ų11460%0.59758%0.58SS**Hα-helixtrans-65.4-45.1177.2-72.6173.8000111.5F40 K41 H46 L47 E48F40-L44 WeakPolarHBondContact O-CG 3.41Å; F40-L44 PolarHBondContact O-N 3.4Å; K41-L44 PolarHBondContact O-N 2.89Å; K41-L44 VanDerWaalsContact O-N 3.14Å; L44-H46 VanDerWaalsContact C-N 3.26Å; L44-H46 PolarHBondContact O-N 3.49Å; L44-L47 WeakPolarHBondContact O-CB 2.93Å; L44-L47 PolarHBondContact O-N 3.32Å; L44-E48 PolarHBondContact O-N 3.34Å
45D94.3Very high83.8Confident79 Ų79113.6 Ų113.642%0.42258%0.578SS.*Hα-helixtrans-58.4-40.7177.5-69.5-9000110.9K41 L47 E48 E49K41-D45 PolarHBondContact O-N 3.13Å; D45-L47 PolarHBondContact O-N 2.88Å; D45-E48 PolarHBondContact O-N 3Å; D45-E49 PolarHBondContact O-N 2.93Å
46H92Very high82.2Confident91 Ų91118.3 Ų118.342%0.42159%0.589SS.*Hα-helixtrans-72.2-27.3177.4-179.4-106000113.6N42 L43 L44 K50N42-H46 WeakPolarHBondContact O-CB 3.08Å; N42-H46 PolarHBondContact O-N 3.23Å; N42-H46 VanDerWaalsContact O-N 3.16Å; L43-H46 PolarHBondContact O-N 3.5Å; L44-H46 VanDerWaalsContact C-N 3.26Å; L44-H46 PolarHBondContact O-N 3.49Å; H46-K50 WeakPolarHBondContact CE1-CE 3.37Å; H46-K50 WeakPolarHBondContact NE2-CE 3.49Å; H46-K50 WeakPolarHBondContact O-CB 3.07Å; H46-K50 VanDerWaalsContact O-CG 3.31Å; H46-K50 WeakPolarHBondContact O-CG 3.44Å; H46-K50 PolarHBondContact O-N 3.32Å
47L89.8Confident80.2Confident107 Ų107121.6 Ų121.656%0.5661%0.611SS**Hα-helixtrans-73.8-37.7171.2-73.1174.8000111.3L43 L44 D45 E49 K50 M51L43-L47 WeakPolarHBondContact O-CG 3.31Å; L43-L47 PolarHBondContact O-N 2.98Å; L44-L47 WeakPolarHBondContact O-CB 2.93Å; L44-L47 PolarHBondContact O-N 3.32Å; D45-L47 PolarHBondContact O-N 2.88Å; L47-E49 VanDerWaalsContact C-N 3.31Å; L47-K50 CarbonylContact O-C 3.57Å; L47-K50 PolarHBondContact O-N 3.14Å; L47-K50 VanDerWaalsContact O-N 3.13Å; L47-M51 WeakPolarHBondContact O-CG 3.44Å; L47-M51 PolarHBondContact O-N 2.99Å
48E88.3Confident78Confident136 Ų136121.4 Ų121.464%0.63661%0.614SS**Hα-helixtrans-62.6-37.6173.4-173.9174.2175.700112L44 D45 K50 M51L44-E48 PolarHBondContact O-N 3.34Å; D45-E48 PolarHBondContact O-N 3Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 3.46Å; E48-M51 HydrophobicContact CB-SD 4.39Å; E48-M51 HydrophobicContact CG-SD 4.39Å; E48-M51 WeakPolarHBondContact O-CG 3.37Å
49E84.8Confident76.5Confident160 Ų160121.1 Ų121.175%0.74862%0.621SS**Hα-helixtrans-69.7-29.8173.2-169-173.3168.200112.6D45 L47D45-E49 PolarHBondContact O-N 2.93Å; L47-E49 VanDerWaalsContact C-N 3.31Å
50K82.5Confident74Confident135 Ų135122.9 Ų122.959%0.58764%0.637SS**Hα-helixtrans-92-15-176.6-77.7-170.8-173.9-67.90114.9H46 L47 E48 P52H46-K50 WeakPolarHBondContact CE1-CE 3.37Å; H46-K50 WeakPolarHBondContact NE2-CE 3.49Å; H46-K50 WeakPolarHBondContact O-CB 3.07Å; H46-K50 VanDerWaalsContact O-CG 3.31Å; H46-K50 WeakPolarHBondContact O-CG 3.44Å; H46-K50 PolarHBondContact O-N 3.32Å; L47-K50 CarbonylContact O-C 3.57Å; L47-K50 PolarHBondContact O-N 3.14Å; L47-K50 VanDerWaalsContact O-N 3.13Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 3.46Å; K50-P52 WeakPolarHBondContact O-CD 3.33Å
51M72.9Confident71.8Confident126 Ų126125.2 Ų125.262%0.62165%0.65SS**SBendtrans-68.9113.9170.347.3-160.5-72.200107.2L47 E48 L53L47-M51 WeakPolarHBondContact O-CG 3.44Å; L47-M51 PolarHBondContact O-N 2.99Å; E48-M51 HydrophobicContact CB-SD 4.39Å; E48-M51 HydrophobicContact CG-SD 4.39Å; E48-M51 WeakPolarHBondContact O-CG 3.37Å; M51-L53 PolarHBondContact O-N 3.29Å
52P61.3Low69.4Low100 Ų100125.6 Ų125.665%0.64966%0.662SS**  trans-56.1122.9173.624.3-32000106.8K50 E54K50-P52 WeakPolarHBondContact O-CD 3.33Å; P52-E54 VanDerWaalsContact C-N 3.26Å; P52-E54 PolarHBondContact O-N 3.16Å
53L58.6Low66.6Low159 Ų159129.5 Ų129.583%0.83268%0.681SS**  trans-59.693.5175.9-137.2141.2000106M51 D55M51-L53 PolarHBondContact O-N 3.29Å; L53-D55 PolarHBondContact O-N 3.2Å
54E56.3Low64.4Low175 Ų175133.7 Ų133.782%0.81869%0.69SS**  trans-63.896.6167.6-58.3-86.2123.200104.5P52P52-E54 VanDerWaalsContact C-N 3.26Å; P52-E54 PolarHBondContact O-N 3.16Å
55D53.5Low61.8Low134 Ų134134.7 Ų134.772%0.71769%0.691SS**  trans-59.8148.4-174.6-156.58.8000110.6L53 V57L53-D55 PolarHBondContact O-N 3.2Å; D55-V57 PolarHBondContact O-N 3.04Å
56E53.2Low59.3Low162 Ų162140 Ų14076%0.75771%0.714SS**  trans-48.5115.4-176.3-167.2-167.9-15200112.7V58E56-V58 HydrophobicContact CG-CG2 3.93Å
57V46.5Very low56.7Low143 Ų143142.6 Ų142.687%0.86773%0.731SS**  trans-112.994.1155.6-1750000108.2D55D55-V57 PolarHBondContact O-N 3.04Å
58V45.3Very low54.8Low95 Ų95146.4 Ų146.458%0.57675%0.746SS**  trans-41.9142.4170.2171.90000112.2E56E56-V58 HydrophobicContact CG-CG2 3.93Å
59P60.5Low52.6Low101 Ų101148.6 Ų148.666%0.65676%0.756SS**  trans-83149.4-174.934.4-34.4000111.9
60P42Very low51Low130 Ų130145.4 Ų145.484%0.84476%0.757SS**  trans-105.994161.633.7-21.8000109.3
61Q47Very low49.1Very low175 Ų175142.5 Ų142.582%0.81877%0.765SS**  trans-86.6128.1149.5-57.3-169.731.300106.9
62V43.3Very low47.2Very low125 Ų125141.1 Ų141.176%0.75877%0.774SS**  trans88.678.4169.8-159.70000117R64V62-R64 HydrophobicContact CG1-CB 4.4Å
63L37.8Very low46Very low166 Ų166140.5 Ų140.587%0.86978%0.777SS**  trans-124.763.7130.2-149.5160.6000107.8
64R47.3Very low44.9Very low195 Ų195140.4 Ų140.474%0.73678%0.777SS**  trans-71.9135.4160.1-179.4-175.9171.3164.56.9106.3V62V62-R64 HydrophobicContact CG1-CB 4.4Å
65E41.9Very low44Very low134 Ų134137.4 Ų137.463%0.62678%0.775SS**  trans77.287.8170.4-67.4149.3-155.900117.2
66Q40.6Very low43.4Very low191 Ų191136.6 Ų136.689%0.89378%0.777SS**  177.983.2116.2-94.7165.279.800110.8
67N37.3Very low42.8Very low146 Ų146136 Ų13678%0.78178%0.778SS**  trans-154.580.6143.7-150-27.9000107.3
68E49.7Very low42.6Very low187 Ų187134.9 Ų134.987%0.87477%0.774SS**  trans-79.5141.5160.7-77.1-164.5147.900108.6
69E43Very low42.7Very low181 Ų181138.8 Ų138.885%0.84679%0.786SS**SBendtrans95.779.4177.8-141.380.1-140.400115.4
70A51.1Low42.2Very low94 Ų94139.5 Ų139.578%0.77779%0.788SS**SBendcis-146.3105.45.600000109.5
71G42.8Very low42.7Very low74 Ų74138 Ų13876%0.76378%0.778SS**SBendtrans71.957.3154.700000120.2
72A33Very low42.8Very low97 Ų97134.9 Ų134.980%0.80277%0.774SS**  trans62.982.6148.700000120.7
73A34.5Very low42.6Very low87 Ų87140.5 Ų140.572%0.71978%0.781SS**  4.7125.8128.400000121.6
74L36Very low43.4Very low157 Ų157138.7 Ų138.782%0.82278%0.777SS**  79.5103.3126.6-57.5174.6000121.5
75S37.5Very low43.2Very low111 Ų111133.1 Ų133.178%0.77678%0.781SS**  87151.7120.6-750000121.2
76P41.8Very low43.8Very low118 Ų118134.3 Ų134.377%0.76679%0.792SS**  trans-104.1146-134.437.8-32.3000113.5
77L40.5Very low44Very low148 Ų148131.4 Ų131.478%0.77579%0.787SS**  trans-66.1138175.4-132.8151.7000110.1E79L77-E79 PolarHBondContact O-N 3.43Å
78P42.3Very low44.7Very low120 Ų120129.9 Ų129.978%0.77979%0.787SS**  trans-69.193.4171-16.630.5000110.2V80P78-V80 PolarHBondContact O-N 3.31Å
79E46.7Very low44.8Very low178 Ų178126.7 Ų126.783%0.83278%0.783SS**  trans-62.6120.6168.1-137102.4-164.300108.6L77L77-E79 PolarHBondContact O-N 3.43Å
80V50.1Low44.6Very low116 Ų116122.8 Ų122.870%0.70378%0.782SS**  trans-44.4130.6175.4176.20000111P78 P82P78-V80 PolarHBondContact O-N 3.31Å; V80-P82 VanDerWaalsContact O-CD 3.3Å; V80-P82 WeakPolarHBondContact O-CD 3.07Å
81P53Low44.9Very low97 Ų97126.4 Ų126.463%0.6378%0.782SS**  trans-58.8123.4177.6-24.833.8000111.6W83P81-W83 PolarHBondContact O-N 2.66Å
82P47.6Very low45Very low111 Ų111134.6 Ų134.672%0.72179%0.79SS**  trans-70.3115.1171.1-11.927.4000108.2V80 T84V80-P82 VanDerWaalsContact O-CD 3.3Å; V80-P82 WeakPolarHBondContact O-CD 3.07Å; P82-T84 PolarHBondContact O-N 3.13Å
83W39Very low46.1Very low242 Ų242137 Ų13792%0.91779%0.789SS**  trans-71.975.2176.1-59.381.2000110.1P81P81-W83 PolarHBondContact O-N 2.66Å
84T55.8Low46.3Very low128 Ų128136.5 Ų136.579%0.78579%0.793SS**  trans-144.2100.8169.7560000109P82P82-T84 PolarHBondContact O-N 3.13Å
85G42.4Very low46.9Very low79 Ų79132.7 Ų132.781%0.81479%0.792SS**  trans-157.574178.900000109.2
86D54.7Low47.5Very low159 Ų159132 Ų13285%0.8579%0.793SS**  trans-65.8121.2165.1-158.7-12.6000108
87V44.4Very low48.2Very low130 Ų130135 Ų13579%0.78880%0.802SS**  trans-173111.1146.2179.40000108.5
88S52.7Low48.3Very low114 Ų114131.7 Ų131.780%0.79780%0.803SS**  trans-85.7141.8152.2-75.20000109.4
89P51.3Low48.5Very low119 Ų119134.8 Ų134.877%0.77381%0.807SS**  -145.1170.792.637.1-18.7000111.2
90A39.5Very low48.6Very low100 Ų100128.2 Ų128.283%0.82679%0.787SS**  cis-155.7152.523.900000110.6
91Q56.8Low48.7Very low169 Ų169128.7 Ų128.779%0.7979%0.792SS**  trans-73.2130.7172.4172.8176.1-18.100112
92R46.2Very low48.4Very low247 Ų247134.6 Ų134.693%0.93280%0.802SS**  trans-157.9125.5144.3-121.7-179.4-174.4-179.12.2112.6
93D54.4Low48.7Very low146 Ų146134 Ų13478%0.78179%0.793SS**  trans-59.7145.8-177.9-57.3-73.2000114.2
94G40.3Very low49.6Very low78 Ų78126.4 Ų126.480%0.80478%0.777SS**  trans16978.7166.800000116.2
95G48.8Very low49.7Very low77 Ų77124.1 Ų124.179%0.79477%0.766SS**  trans32.8129.5143.600000122.9
96A49.4Very low50.5Low96 Ų96126.3 Ų126.379%0.79376%0.759SS**  trans72.6128.6147.600000118.7
97L55.7Low50.8Low181 Ų181127.9 Ų127.995%0.94875%0.753SS**  trans87111.1167.8-48.7177000116.6
98G43.7Very low51.6Low79 Ų79124.6 Ų124.681%0.81474%0.736SS**  trans12475.9159.200000114.9G100G98-G100 PolarHBondContact O-N 3.48Å
99Q46.6Very low52.2Low185 Ų185121.7 Ų121.786%0.86472%0.719SS**  trans-79.298.7171.3-165.8164.9-32.700109.1
100G48.2Very low52.9Low39 Ų39120.3 Ų120.340%0.40271%0.705SS.*  trans-80.9158.5177.500000112.7G98 W102G98-G100 PolarHBondContact O-N 3.48Å; G100-W102 PolarHBondContact O-N 2.96Å
101P51.3Low54.3Low126 Ų126120.5 Ų120.582%0.81869%0.691SS**THydrogen-bonded Turntrans-65.310.8-176.9-25.136.1000118.3
102W46.8Very low55Low221 Ų221119.4 Ų119.484%0.83768%0.684SS**THydrogen-bonded Turntrans-119.112.6-167.1-64100.5000115.8G100 S104G100-W102 PolarHBondContact O-N 2.96Å; W102-S104 PolarHBondContact O-N 3.33Å
103D55Low56Low100 Ų100111 Ų11154%0.53566%0.663SS.*THydrogen-bonded Turntrans-73.723.6176.4-74.2-29.2000114.9S105D103-S105 VanDerWaalsContact C-N 3.33Å; D103-S105 PolarHBondContact O-N 3.33Å
104S57.1Low56.9Low82 Ų82110.2 Ų110.257%0.57365%0.652SS**Hα-helixtrans-73.2-23.9-177.858.50000113.3W102 S108W102-S104 PolarHBondContact O-N 3.33Å; S104-S108 WeakPolarHBondContact O-CB 3.44Å; S104-S108 PolarHBondContact O-N 3Å
105S58.2Low58.5Low80 Ų80111.5 Ų111.556%0.55964%0.64SS**Hα-helixtrans-67.4-46.2-176.4-1700000112.9D103 R107 S108 A109D103-S105 VanDerWaalsContact C-N 3.33Å; D103-S105 PolarHBondContact O-N 3.33Å; S105-R107 PolarHBondContact O-N 2.92Å; S105-S108 WeakPolarHBondContact O-CB 3.05Å; S105-S108 PolarHBondContact O-N 2.8Å; S105-S108 VanDerWaalsContact O-N 3.11Å; S105-S108 PolarHBondContact O-OG 2.74Å; S105-A109 PolarHBondContact O-N 2.85Å
106D60.1Low59.9Low124 Ų124115.9 Ų115.966%0.66363%0.633SS**Hα-helixtrans-71.4-35.4-176.3-75-21.3000113.1S108 A109 L110D106-S108 VanDerWaalsContact C-N 3.28Å; D106-S108 PolarHBondContact O-N 3.07Å; D106-A109 PolarHBondContact O-N 2.99Å; D106-L110 PolarHBondContact O-N 3.11Å; D106-L110 VanDerWaalsContact O-N 3.11Å
107R60.7Low61Low193 Ų193114 Ų11473%0.72862%0.617SS**Hα-helixtrans-61.6-40.9170.1-72.7-76.1-172.2162.51110.6S105 L111S105-R107 PolarHBondContact O-N 2.92Å; R107-L111 WeakPolarHBondContact O-CB 3.41Å; R107-L111 WeakPolarHBondContact O-CG 3.39Å; R107-L111 PolarHBondContact O-N 3.01Å
108S61.9Low61.6Low60 Ų60111.3 Ų111.342%0.4260%0.603SS.*Hα-helixtrans-67.1-38.217986.40000112S104 S105 D106 L111 K112S104-S108 WeakPolarHBondContact O-CB 3.44Å; S104-S108 PolarHBondContact O-N 3Å; S105-S108 WeakPolarHBondContact O-CB 3.05Å; S105-S108 PolarHBondContact O-N 2.8Å; S105-S108 VanDerWaalsContact O-N 3.11Å; S105-S108 PolarHBondContact O-OG 2.74Å; D106-S108 VanDerWaalsContact C-N 3.28Å; D106-S108 PolarHBondContact O-N 3.07Å; S108-L111 PolarHBondContact O-N 3.24Å; S108-K112 WeakPolarHBondContact O-CB 3.13Å; S108-K112 PolarHBondContact O-N 3.08Å
109A63.8Low62.9Low54 Ų54113.3 Ų113.345%0.44659%0.594SS.*Hα-helixtrans-67.7-39.7177.900000112.5S105 D106 K112 S113S105-A109 PolarHBondContact O-N 2.85Å; D106-A109 PolarHBondContact O-N 2.99Å; A109-K112 PolarHBondContact O-N 3.04Å; A109-S113 WeakPolarHBondContact O-CB 3.25Å; A109-S113 PolarHBondContact O-N 3.09Å; A109-S113 PolarHBondContact O-OG 3.17Å
110L65.8Low63.9Low89 Ų89109.4 Ų109.447%0.46658%0.583SS.*Hα-helixtrans-65.9-42.7173.9-166.5163.9000111D106 S113 K114D106-L110 PolarHBondContact O-N 3.11Å; D106-L110 VanDerWaalsContact O-N 3.11Å; L110-S113 WeakPolarHBondContact CA-OG 3.28Å; L110-S113 PolarHBondContact O-OG 3.05Å; L110-K114 HydrophobicContact CD2-CD 3.78Å; L110-K114 HydrophobicContact CD2-CG 4.26Å; L110-K114 WeakPolarHBondContact O-CB 3.3Å; L110-K114 WeakPolarHBondContact O-CG 3.2Å; L110-K114 PolarHBondContact O-N 3.13Å
111L69Low64.6Low104 Ų104109.6 Ų109.655%0.54558%0.581SS.*Hα-helixtrans-65.7-40.8175.1-70.7170.1000111.5R107 S108 K114 L115R107-L111 WeakPolarHBondContact O-CB 3.41Å; R107-L111 WeakPolarHBondContact O-CG 3.39Å; R107-L111 PolarHBondContact O-N 3.01Å; S108-L111 PolarHBondContact O-N 3.24Å; L111-K114 PolarHBondContact O-N 3.32Å; L111-L115 WeakPolarHBondContact O-CB 3.39Å; L111-L115 WeakPolarHBondContact O-CG 3.21Å; L111-L115 PolarHBondContact O-N 3.04Å
112K72.1Confident64.9Low147 Ų147108.5 Ų108.564%0.63957%0.574SS**Hα-helixtrans-70.7-34.8-178.6-157.9170.4-174.3-178.90112.1S108 A109 R116S108-K112 WeakPolarHBondContact O-CB 3.13Å; S108-K112 PolarHBondContact O-N 3.08Å; A109-K112 PolarHBondContact O-N 3.04Å; K112-R116 VanDerWaalsContact O-CB 3.24Å; K112-R116 WeakPolarHBondContact O-CB 3.38Å; K112-R116 PolarHBondContact O-N 3.04Å
113S67.2Low65.7Low69 Ų69108.5 Ų108.548%0.48357%0.574SS.*Hα-helixtrans-70.4-39.2171.957.90000112.3A109 L110 A117A109-S113 WeakPolarHBondContact O-CB 3.25Å; A109-S113 PolarHBondContact O-N 3.09Å; A109-S113 PolarHBondContact O-OG 3.17Å; L110-S113 WeakPolarHBondContact CA-OG 3.28Å; L110-S113 PolarHBondContact O-OG 3.05Å; S113-A117 WeakPolarHBondContact O-CB 2.92Å; S113-A117 PolarHBondContact O-N 3.01Å
114K73.5Confident65.9Low131 Ų131107.9 Ų107.957%0.5758%0.578SS**Hα-helixtrans-65.6-42.8171.9-79.2-173.9176.81790112.7L110 L111 A117 L118L110-K114 HydrophobicContact CD2-CD 3.78Å; L110-K114 HydrophobicContact CD2-CG 4.26Å; L110-K114 WeakPolarHBondContact O-CB 3.3Å; L110-K114 WeakPolarHBondContact O-CG 3.2Å; L110-K114 PolarHBondContact O-N 3.13Å; L111-K114 PolarHBondContact O-N 3.32Å; K114-A117 PolarHBondContact O-N 3.42Å; K114-L118 WeakPolarHBondContact O-CG 3.44Å; K114-L118 PolarHBondContact O-N 2.91Å
115L74.4Confident65.7Low104 Ų104111.4 Ų111.455%0.54559%0.589SS.*Hα-helixtrans-66.2-41177.3-71.6172.9000111.3L111 A117 L118 L119L111-L115 WeakPolarHBondContact O-CB 3.39Å; L111-L115 WeakPolarHBondContact O-CG 3.21Å; L111-L115 PolarHBondContact O-N 3.04Å; L115-A117 VanDerWaalsContact C-N 3.35Å; L115-L118 PolarHBondContact O-N 3.46Å; L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.46Å; L115-L119 PolarHBondContact O-N 2.93Å
116R77.1Confident65.6Low170 Ų170117.4 Ų117.464%0.64260%0.599SS**Hα-helixtrans-59.4-46.8171.8-175.9176.6-68.8-174.6-2.6110.7K112 L118 L119 T120K112-R116 VanDerWaalsContact O-CB 3.24Å; K112-R116 WeakPolarHBondContact O-CB 3.38Å; K112-R116 PolarHBondContact O-N 3.04Å; R116-L118 VanDerWaalsContact C-N 3.3Å; R116-L118 PolarHBondContact O-N 3.2Å; R116-L119 PolarHBondContact O-N 3.28Å; R116-T120 HydrophobicContact CG-CG2 4.18Å; R116-T120 WeakPolarHBondContact O-CB 3.4Å; R116-T120 WeakPolarHBondContact O-CG2 3.31Å; R116-T120 PolarHBondContact O-N 2.96Å; R116-T120 PolarHBondContact O-OG1 3.42Å
117A72.8Confident65.4Low55 Ų55123.1 Ų123.146%0.45561%0.612SS.*Hα-helixtrans-60.9-36.5177.600000113S113 K114 L115 T120 A121S113-A117 WeakPolarHBondContact O-CB 2.92Å; S113-A117 PolarHBondContact O-N 3.01Å; K114-A117 PolarHBondContact O-N 3.42Å; L115-A117 VanDerWaalsContact C-N 3.35Å; A117-T120 PolarHBondContact O-OG1 3.4Å; A117-A121 WeakPolarHBondContact O-CA 3.13Å; A117-A121 WeakPolarHBondContact O-CB 3.24Å; A117-A121 PolarHBondContact O-N 2.93Å
118L69.5Low65.3Low126 Ų126117.5 Ų117.566%0.6660%0.602SS**Hα-helixtrans-73.6-31.8175.6-70175.1000113.4K114 L115 R116K114-L118 WeakPolarHBondContact O-CG 3.44Å; K114-L118 PolarHBondContact O-N 2.91Å; L115-L118 PolarHBondContact O-N 3.46Å; R116-L118 VanDerWaalsContact C-N 3.3Å; R116-L118 PolarHBondContact O-N 3.2Å
119L69Low65.2Low120 Ų120119 Ų11963%0.62861%0.612SS**Hα-helixtrans-80.4-32.4177.4-70.1172.5000112.5L115 R116L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.46Å; L115-L119 PolarHBondContact O-N 2.93Å; R116-L119 PolarHBondContact O-N 3.28Å
120T68Low64.9Low104 Ų104119.1 Ų119.164%0.63861%0.609SS**Hα-helixtrans-86.4-13.3173.561.20000112.5R116 A117R116-T120 HydrophobicContact CG-CG2 4.18Å; R116-T120 WeakPolarHBondContact O-CB 3.4Å; R116-T120 WeakPolarHBondContact O-CG2 3.31Å; R116-T120 PolarHBondContact O-N 2.96Å; R116-T120 PolarHBondContact O-OG1 3.42Å; A117-T120 PolarHBondContact O-OG1 3.4Å
121A64.2Low64.5Low43 Ų43119.4 Ų119.436%0.35561%0.607SS.*SBendtrans-61125.3170.800000108.3A117 R123A117-A121 WeakPolarHBondContact O-CA 3.13Å; A117-A121 WeakPolarHBondContact O-CB 3.24Å; A117-A121 PolarHBondContact O-N 2.93Å; A121-R123 PolarHBondContact O-N 2.91Å; A121-R123 VanDerWaalsContact O-N 3.12Å
122P56.8Low64Low103 Ų103117.1 Ų117.167%0.66961%0.609SS**  trans-60.3123177.424.3-31.6000108.1S124P122-S124 PolarHBondContact O-N 3.4Å
123R62.5Low63.3Low220 Ų220114.1 Ų114.183%0.8362%0.62SS**THydrogen-bonded Turntrans-67.836.6175.4-73.6-173.7166.898.2-4.1112.5A121A121-R123 PolarHBondContact O-N 2.91Å; A121-R123 VanDerWaalsContact O-N 3.12Å
124S59.7Low63Low88 Ų88120.6 Ų120.662%0.61563%0.633SS**THydrogen-bonded Turntrans-102.94.9-172.366.40000114.6P122 R126P122-S124 PolarHBondContact O-N 3.4Å; S124-R126 PolarHBondContact O-N 3.29Å
125L53.5Low62.4Low156 Ų156123.3 Ų123.382%0.81765%0.65SS**  trans-84.527.3174-89.2168.6000114.5
126R55.6Low61.8Low205 Ų205121.9 Ų121.977%0.77464%0.643SS**  trans-99.394154.5-98.5-163.4177-160.92108.8S124 S128S124-R126 PolarHBondContact O-N 3.29Å; R126-S128 PolarHBondContact O-N 3.22Å
127R55.8Low61.7Low244 Ų244124.5 Ų124.592%0.92165%0.653SS**SBendtrans-63.123169-74.9-173.8179.2177.70.1114.2
128S59.3Low61.1Low75 Ų75130.8 Ų130.852%0.52468%0.677SS.*  trans-144.861.1173.355.10000109.4R126 C130R126-S128 PolarHBondContact O-N 3.22Å; S128-C130 PolarHBondContact O-N 3.28Å
129S59.8Low60.9Low91 Ų91128.6 Ų128.664%0.63669%0.685SS**  trans-78.774.4170.6-1770000109.1C146S129-C146 PolarHBondContact O-SG 3.07Å; S129-C146 VanDerWaalsContact O-SG 3.36Å
130C58Low60.4Low57 Ų57125.7 Ų125.739%0.38568%0.679SS.*  trans-90.3101.8165.7-52.40000106S128 C146S128-C130 PolarHBondContact O-N 3.28Å; C130-C146 WeakPolarHBondContact CA-SG 3.37Å; C130-C146 HydrophobicContact CB-CB 4.14Å; C130-C146 VanDerWaalsContact CB-N 3.35Å; C130-C146 WeakPolarHBondContact CB-SG 3.19Å; C130-C146 PolarHBondContact N-SG 3.33Å; C130-C146 WeakPolarHBondContact SG-CA 3.09Å; C130-C146 WeakPolarHBondContact SG-CB 3.29Å; C130-C146 PolarHBondContact SG-N 3.03Å; C130-C146 CovalentContact SG-SG 2.02Å; C130-C146 PolarHBondContact SG-SG 2.9Å
131F57.1Low60.1Low95 Ų95129.9 Ų129.942%0.41769%0.691SS.*SBendtrans63.8145.8-172.4-68.9-70.2000116.5S142 G145F131-S142 WeakPolarHBondContact CE1-O 3.43Å; F131-S142 WeakPolarHBondContact CE1-OG 3.42Å; F131-S142 WeakPolarHBondContact CZ-O 3.29Å; F131-G145 VanDerWaalsContact CD2-CA 3.45Å
132G57.8Low59.9Low56 Ų56130.4 Ų130.458%0.57769%0.692SS**  trans94.848.8149.300000117.4R134G132-R134 PolarHBondContact O-N 2.98Å
133G58.2Low60.1Low85 Ų85128.2 Ų128.288%0.87669%0.688SS**SBendtrans-66.4-20.6154.500000112.6
134R61.2Low60Low204 Ų204125.5 Ų125.577%0.7769%0.689SS**SBendtrans-147.8148.2175.950.3-175.3176.3-101.1-0.7108.1G132 D136G132-R134 PolarHBondContact O-N 2.98Å; R134-D136 PolarHBondContact O-N 3.15Å
135M59.2Low59.7Low188 Ų188122.8 Ų122.893%0.92668%0.675SS**  trans-69.7109.4179-169.317267.500108.8
136D63.8Low59.8Low74 Ų74118.4 Ų118.440%0.39666%0.657SS.*PPolyproline II helixtrans-68.3136.6172.8-70.7-33.9000109R134 S142R134-D136 PolarHBondContact O-N 3.15Å; D136-S142 WeakPolarHBondContact OD2-CB 3.47Å; D136-S142 PolarHBondContact OD2-OG 2.94Å
137R73.2Confident59.6Low226 Ų226115.4 Ų115.485%0.85366%0.656SS**PPolyproline II helixtrans-62.5143.1176.3-72.5178.7163.3159.7-4.9109.8G139 A140R137-G139 PolarHBondContact O-N 2.91Å; R137-G139 VanDerWaalsContact O-N 3.15Å; R137-A140 PolarHBondContact O-N 3.17Å; R137-A140 VanDerWaalsContact O-N 3.15Å
138I61.2Low59.6Low186 Ų186108.8 Ų108.895%0.95465%0.647SS**THydrogen-bonded Turntrans-55.4119.7175.7-56.9173.6000108.5
139G64.2Low59.2Low80 Ų80113.9 Ų113.983%0.82566%0.661SS**THydrogen-bonded Turntrans110.7-10.5-179.100000115.6R137 Q141R137-G139 PolarHBondContact O-N 2.91Å; R137-G139 VanDerWaalsContact O-N 3.15Å; G139-Q141 PolarHBondContact O-N 3.12Å
140A60.1Low59.1Low60 Ų60120 Ų12050%0.49667%0.67SS.*  trans-75.5117.3164.200000108.5R137 S142R137-A140 PolarHBondContact O-N 3.17Å; R137-A140 VanDerWaalsContact O-N 3.15Å; A140-S142 PolarHBondContact O-N 3.39Å
141Q61.8Low58.8Low191 Ų191127.3 Ų127.389%0.89369%0.691SS**  trans-67.980.6171.4-171.1-1758.400108.5G139 G143G139-Q141 PolarHBondContact O-N 3.12Å; Q141-G143 PolarHBondContact O-N 3.16Å
142S58.8Low58.8Low55 Ų55133.5 Ų133.539%0.38571%0.711SS.*  trans-74.5101.4173.9-131.10000105.3F131 D136 A140F131-S142 WeakPolarHBondContact CE1-O 3.43Å; F131-S142 WeakPolarHBondContact CE1-OG 3.42Å; F131-S142 WeakPolarHBondContact CZ-O 3.29Å; D136-S142 WeakPolarHBondContact OD2-CB 3.47Å; D136-S142 PolarHBondContact OD2-OG 2.94Å; A140-S142 PolarHBondContact O-N 3.39Å
143G61.6Low58.4Low56 Ų56145.3 Ų145.358%0.57774%0.738SS**  trans-99.12-158.100000117.2Q141Q141-G143 PolarHBondContact O-N 3.16Å
144L59.6Low58.4Low163 Ų163148.4 Ų148.485%0.85373%0.731SS**  trans-143.385.1-178.4-70.8168.5000111.8
145G53.9Low58.3Low32 Ų32145.4 Ų145.433%0.3373%0.729SS.*  trans-87.6129.7164.500000108F131 N147F131-G145 VanDerWaalsContact CD2-CA 3.45Å; G145-N147 PolarHBondContact O-N 3.48Å
146C56.1Low58.2Low64 Ų64143.1 Ų143.143%0.43272%0.719SS.*  trans-51.2120.4-162.540000115.3S129 C130 S148S129-C146 PolarHBondContact O-SG 3.07Å; S129-C146 VanDerWaalsContact O-SG 3.36Å; C130-C146 WeakPolarHBondContact CA-SG 3.37Å; C130-C146 HydrophobicContact CB-CB 4.14Å; C130-C146 VanDerWaalsContact CB-N 3.35Å; C130-C146 WeakPolarHBondContact CB-SG 3.19Å; C130-C146 PolarHBondContact N-SG 3.33Å; C130-C146 WeakPolarHBondContact SG-CA 3.09Å; C130-C146 WeakPolarHBondContact SG-CB 3.29Å; C130-C146 PolarHBondContact SG-N 3.03Å; C130-C146 CovalentContact SG-SG 2.02Å; C130-C146 PolarHBondContact SG-SG 2.9Å; C146-S148 PolarHBondContact O-N 3.39Å
147N51.4Low57.9Low141 Ų141147.1 Ų147.175%0.75474%0.738SS**  trans-76.5101.6158.1-86.4-23.4000109.1G145 F149G145-N147 PolarHBondContact O-N 3.48Å; N147-F149 VanDerWaalsContact C-N 3.34Å; N147-F149 PolarHBondContact O-N 2.92Å
148S55.8Low56.9Low105 Ų105142.2 Ų142.273%0.73473%0.73SS**  trans-89.575.2158.266.60000109.6C146 R150C146-S148 PolarHBondContact O-N 3.39Å; S148-R150 VanDerWaalsContact C-N 3.27Å; S148-R150 PolarHBondContact O-N 3.47Å
149F51.6Low56.6Low183 Ų183139.3 Ų139.380%0.80372%0.715SS**  trans-68.192.2159.6-100.8-87.9000108N147N147-F149 VanDerWaalsContact C-N 3.34Å; N147-F149 PolarHBondContact O-N 2.92Å
150R56.2Low56.1Low220 Ų220143.5 Ų143.583%0.8371%0.708SS**  trans-94.782.6162.8-74.3-106.1-159.6-163.42.6107.7S148 R152S148-R150 VanDerWaalsContact C-N 3.27Å; S148-R150 PolarHBondContact O-N 3.47Å; R150-R152 PolarHBondContact O-N 2.9Å
151Y52.6Low55.8Low210 Ų210149.9 Ų149.982%0.82472%0.724SS**  trans-72.9108.1157.6-157.5-94000106.4
152R57Low55.3Low225 Ų225146.5 Ų146.585%0.84971%0.71SS**  trans-81.5123165.5-77.5-157.6-167.4-140.88.9107.1R150R150-R152 PolarHBondContact O-N 2.9Å
153R48.8Very low55Low304 Ų304154.8 Ų154.8100%1.14774%0.739SS**  trans-75.90170.3-144.3-175.1-143148.82.6109.9

Retrieved 153 of 153 residues in 119.4 ms (Link to these results)