A0A087XQK0_POEFO Loading...

G patch domain containing 2

AlphaFold DB , UniProt , Accession A0A087XQK0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 526 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
1M42.2Very low40.3Very low229 Ų229158.1 Ų158.1100%1.12886%0.856SS**  0135.70-60.3172.2-178.800106.2
2F37.5Very low40.5Very low208 Ų208161.8 Ų161.891%0.91286%0.857SS**  cis-108.6-17222.8-89.5-101.8000115.2
3R38.1Very low40.9Very low243 Ų243157.5 Ų157.592%0.91786%0.859SS**  trans-85.2157.3-167.8-68.4-179.5170-160.1-2.7113.7
4A43.4Very low40.6Very low106 Ų106150.5 Ų150.588%0.87684%0.842SS**  trans-66145.2160.900000111.4
5G37.6Very low41.3Very low72 Ų72149.9 Ų149.974%0.74284%0.844SS**  trans-113.1125.6176.400000111.6L7G5-L7 PolarHBondContact O-N 3.28Å
6H39.6Very low41.1Very low163 Ų163143.3 Ų143.376%0.75582%0.819SS**  trans-78.7102-176.4-179.7-47.3000111.4K8H6-K8 PolarHBondContact O-N 3.43Å; H6-K8 VanDerWaalsContact O-N 3.1Å
7L42.8Very low41.6Very low168 Ų168147.9 Ų147.988%0.8882%0.82SS**  trans-72.1101.8170.2-75.1172.2000110.4G5 T9G5-L7 PolarHBondContact O-N 3.28Å; L7-T9 PolarHBondContact O-N 3.1Å
8K42.8Very low42.2Very low174 Ų174148.7 Ų148.776%0.75782%0.817SS**  trans-72.3118.4168.8-69-177.4177.2-176.70109H6 I10H6-K8 PolarHBondContact O-N 3.43Å; H6-K8 VanDerWaalsContact O-N 3.1Å; K8-I10 PolarHBondContact O-N 3.22Å
9T40.2Very low42.8Very low137 Ų137150.8 Ų150.884%0.8482%0.817SS**  trans-68.4115.6170.248.70000109.5L7 G11L7-T9 PolarHBondContact O-N 3.1Å; T9-G11 PolarHBondContact O-N 3.28Å
10I42.4Very low43.7Very low166 Ų166152.4 Ų152.485%0.85182%0.818SS**  trans-62.6120.3175.5-72.1164.1000108.8K8 K12K8-I10 PolarHBondContact O-N 3.22Å; I10-K12 PolarHBondContact O-N 3.38Å; I10-K12 VanDerWaalsContact O-N 3.17Å
11G36.3Very low45Very low73 Ų73150.5 Ų150.575%0.75380%0.8SS**  trans-64.5113.2179.200000110.5T9 A13T9-G11 PolarHBondContact O-N 3.28Å; G11-A13 PolarHBondContact O-N 3.17Å
12K43.3Very low46.9Very low202 Ų202142.8 Ų142.888%0.87877%0.766SS**  trans-74.6118.6171.6-159.5163-170.6168.50107.4I10 G14I10-K12 PolarHBondContact O-N 3.38Å; I10-K12 VanDerWaalsContact O-N 3.17Å; K12-G14 PolarHBondContact O-N 2.82Å
13A45Very low49.2Very low106 Ų106139.5 Ų139.588%0.87676%0.755SS**  trans-6096-176.800000110.7G11G11-A13 PolarHBondContact O-N 3.17Å
14G37.4Very low51.6Low60 Ų60133.9 Ų133.962%0.61974%0.743SS**  trans-85.7131.6176.300000109.6K12 G16K12-G14 PolarHBondContact O-N 2.82Å; G14-G16 PolarHBondContact O-N 2.82Å
15T50.4Low53.9Low142 Ų142132.5 Ų132.587%0.87172%0.719SS**  trans-7258158.256.30000109.3W17T15-W17 PolarHBondContact O-N 3.19Å
16G39.3Very low56.5Low44 Ų44133 Ų13345%0.45470%0.704SS.*  trans-73.5115.3168.700000107.5G14 H18G14-G16 PolarHBondContact O-N 2.82Å; G16-H18 PolarHBondContact O-CD2 2.92Å; G16-H18 PolarHBondContact O-N 3.41Å
17W49.4Very low59Low221 Ų221129.1 Ų129.184%0.83769%0.691SS**  trans-61.1112.2161.6-70.683.3000106.5T15 F19T15-W17 PolarHBondContact O-N 3.19Å; W17-F19 VanDerWaalsContact C-N 3.26Å; W17-F19 HydrophobicContact CB-CD2 4.04Å; W17-F19 HydrophobicContact CB-CE2 3.71Å; W17-F19 HydrophobicContact CB-CZ 4.44Å; W17-F19 VanDerWaalsContact O-CD2 3.23Å; W17-F19 WeakPolarHBondContact O-CD2 3.25Å; W17-F19 PolarHBondContact O-N 2.92Å
18H52.2Low61.5Low163 Ų163127.1 Ų127.176%0.75568%0.677SS**  trans-73.181.3-174.1-75.1-91.1000110.1G16 H20 R21G16-H18 PolarHBondContact O-CD2 2.92Å; G16-H18 PolarHBondContact O-N 3.41Å; H18-H20 PolarHBondContact O-N 3.05Å; H18-R21 PolarHBondContact O-N 2.82Å
19F53.7Low64Low188 Ų188122.2 Ų122.283%0.82566%0.659SS**THydrogen-bonded Turntrans-67.319174.7-77.5-76.7000114.2W17W17-F19 VanDerWaalsContact C-N 3.26Å; W17-F19 HydrophobicContact CB-CD2 4.04Å; W17-F19 HydrophobicContact CB-CE2 3.71Å; W17-F19 HydrophobicContact CB-CZ 4.44Å; W17-F19 VanDerWaalsContact O-CD2 3.23Å; W17-F19 WeakPolarHBondContact O-CD2 3.25Å; W17-F19 PolarHBondContact O-N 2.92Å
20H59.5Low66.6Low182 Ų182120.8 Ų120.884%0.84365%0.646SS**THydrogen-bonded Turntrans-117.329.8171-72.8-63.8000111.9H18 T22H18-H20 PolarHBondContact O-N 3.05Å; H20-T22 PolarHBondContact O-N 3.18Å
21R71.1Confident69Low113 Ų113116 Ų11643%0.42662%0.624SS.*  trans-65.8124.9161.4-112174.5173.7-161.2-10.8109.4H18 E25 L26 D29H18-R21 PolarHBondContact O-N 2.82Å; R21-E25 HydrophobicContact CG-CB 3.93Å; R21-E25 HydrophobicContact CG-CG 4.5Å; R21-E25 WeakPolarHBondContact CG-OE2 3.43Å; R21-L26 HydrophobicContact CB-CD2 4.39Å; R21-L26 HydrophobicContact CB-CG 4.3Å; R21-D29 IonicContact CZ-OD1 3.14Å; R21-D29 IonicContact CZ-OD2 2.76Å; R21-D29 IonicContact NH1-OD1 3.72Å; R21-D29 IonicContact NH1-OD2 2.64Å; R21-D29 PolarHBondContact NH1-OD2 3.05Å; R21-D29 IonicContact NH2-OD1 2.84Å; R21-D29 PolarHBondContact NH2-OD1 2.92Å; R21-D29 IonicContact NH2-OD2 3.79Å; R21-D29 PolarHBondContact NH2-OD2 3.2Å
22T83.3Confident71.7Confident67 Ų67114.8 Ų114.841%0.41160%0.604SS.*  trans-64.7161.1170.457.60000110.7H20 D24 E25 L26H20-T22 PolarHBondContact O-N 3.18Å; T22-D24 PolarHBondContact O-N 2.78Å; T22-E25 WeakPolarHBondContact CB-OE1 3.31Å; T22-E25 WeakPolarHBondContact CG2-OE1 3.23Å; T22-E25 PolarHBondContact N-OE1 3.07Å; T22-E25 PolarHBondContact O-N 3.28Å; T22-E25 VanDerWaalsContact OG1-CG 3.31Å; T22-E25 WeakPolarHBondContact OG1-CG 3.33Å; T22-E25 PolarHBondContact OG1-N 2.86Å; T22-E25 PolarHBondContact OG1-OE1 3.32Å; T22-L26 PolarHBondContact O-N 3.48Å
23M85.3Confident74.1Confident139 Ų139107.7 Ų107.769%0.68558%0.583SS**Hα-helixtrans-60.7-36.5173-169.563.26600110.5L26 V27M23-L26 PolarHBondContact O-N 3.14Å; M23-V27 WeakPolarHBondContact O-CG2 3.44Å; M23-V27 PolarHBondContact O-N 3.05Å
24D88.9Confident76.4Confident125 Ų125107.9 Ų107.967%0.66857%0.569SS**Hα-helixtrans-65.8-39.1-179.9-50.5-77.5000112.3T22 V27 H28T22-D24 PolarHBondContact O-N 2.78Å; D24-V27 PolarHBondContact O-N 3.31Å; D24-H28 VanDerWaalsContact O-CB 3.28Å; D24-H28 WeakPolarHBondContact O-CB 3.31Å; D24-H28 PolarHBondContact O-N 2.87Å
25E91.2Very high78.9Confident78 Ų78110.4 Ų110.436%0.36456%0.564SS.*Hα-helixtrans-62.1-40.4170.5-76.1161.6-96.200112.5R21 T22 H28 D29R21-E25 HydrophobicContact CG-CB 3.93Å; R21-E25 HydrophobicContact CG-CG 4.5Å; R21-E25 WeakPolarHBondContact CG-OE2 3.43Å; T22-E25 WeakPolarHBondContact CB-OE1 3.31Å; T22-E25 WeakPolarHBondContact CG2-OE1 3.23Å; T22-E25 PolarHBondContact N-OE1 3.07Å; T22-E25 PolarHBondContact O-N 3.28Å; T22-E25 VanDerWaalsContact OG1-CG 3.31Å; T22-E25 WeakPolarHBondContact OG1-CG 3.33Å; T22-E25 PolarHBondContact OG1-N 2.86Å; T22-E25 PolarHBondContact OG1-OE1 3.32Å; E25-H28 PolarHBondContact O-N 3.46Å; E25-D29 WeakPolarHBondContact O-CB 3.44Å; E25-D29 PolarHBondContact O-N 3.03Å
26L93.1Very high80.6Confident83 Ų83109.3 Ų109.344%0.43555%0.55SS..Hα-helixtrans-69.9-35.3178.4-67.5170.3000112.2R21 T22 M23 L30R21-L26 HydrophobicContact CB-CD2 4.39Å; R21-L26 HydrophobicContact CB-CG 4.3Å; T22-L26 PolarHBondContact O-N 3.48Å; M23-L26 PolarHBondContact O-N 3.14Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 PolarHBondContact O-N 2.82Å; L26-L30 VanDerWaalsContact O-N 3.16Å
27V92.3Very high82.7Confident80 Ų80110.5 Ų110.549%0.48555%0.551SS.*Hα-helixtrans-68.9-40.9172170.50000110.6M23 D24 L30 V31M23-V27 WeakPolarHBondContact O-CG2 3.44Å; M23-V27 PolarHBondContact O-N 3.05Å; D24-V27 PolarHBondContact O-N 3.31Å; V27-L30 PolarHBondContact O-N 3.1Å; V27-V31 HydrophobicContact CG1-CG2 4.43Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.31Å
28H95Very high83.9Confident126 Ų126103.2 Ų103.258%0.58353%0.533SS*.Hα-helixtrans-64.6-49.9178.2-165.169.1000111.6D24 E25 L30 V31 S32D24-H28 VanDerWaalsContact O-CB 3.28Å; D24-H28 WeakPolarHBondContact O-CB 3.31Å; D24-H28 PolarHBondContact O-N 2.87Å; E25-H28 PolarHBondContact O-N 3.46Å; H28-L30 VanDerWaalsContact C-N 3.27Å; H28-L30 PolarHBondContact O-N 3.48Å; H28-V31 PolarHBondContact O-N 3.01Å; H28-V31 VanDerWaalsContact O-N 3.16Å; H28-S32 PolarHBondContact O-N 3.18Å; H28-S32 PolarHBondContact O-OG 2.87Å
29D95.7Very high85Confident72 Ų72100 Ų10039%0.38552%0.519SS..Hα-helixtrans-53.3-43.2172.8-96.946.1000112.1R21 E25 A33R21-D29 IonicContact CZ-OD1 3.14Å; R21-D29 IonicContact CZ-OD2 2.76Å; R21-D29 IonicContact NH1-OD1 3.72Å; R21-D29 IonicContact NH1-OD2 2.64Å; R21-D29 PolarHBondContact NH1-OD2 3.05Å; R21-D29 IonicContact NH2-OD1 2.84Å; R21-D29 PolarHBondContact NH2-OD1 2.92Å; R21-D29 IonicContact NH2-OD2 3.79Å; R21-D29 PolarHBondContact NH2-OD2 3.2Å; E25-D29 WeakPolarHBondContact O-CB 3.44Å; E25-D29 PolarHBondContact O-N 3.03Å; D29-A33 WeakPolarHBondContact O-CB 3.28Å; D29-A33 PolarHBondContact O-N 3.13Å
30L94.3Very high85.8Confident106 Ų10696.8 Ų96.856%0.55551%0.506SS*.Hα-helixtrans-68.6-40.5179.5179.661.3000112.2L26 V27 H28 L34L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 PolarHBondContact O-N 2.82Å; L26-L30 VanDerWaalsContact O-N 3.16Å; V27-L30 PolarHBondContact O-N 3.1Å; H28-L30 VanDerWaalsContact C-N 3.27Å; H28-L30 PolarHBondContact O-N 3.48Å; L30-L34 HydrophobicContact CD1-CD1 4.16Å; L30-L34 HydrophobicContact CD1-CG 4.33Å; L30-L34 HydrophobicContact CG-CD1 4.13Å; L30-L34 WeakPolarHBondContact O-CB 3.22Å; L30-L34 VanDerWaalsContact O-CG 3.23Å; L30-L34 WeakPolarHBondContact O-CG 3.15Å; L30-L34 PolarHBondContact O-N 3.47Å
31V93.3Very high86.3Confident65 Ų6592 Ų9239%0.39450%0.498SS..Hα-helixtrans-64-50.9175.2168.90000109.9V27 H28 A33 L34 E35V27-V31 HydrophobicContact CG1-CG2 4.43Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.31Å; H28-V31 PolarHBondContact O-N 3.01Å; H28-V31 VanDerWaalsContact O-N 3.16Å; V31-A33 VanDerWaalsContact C-N 3.34Å; V31-A33 PolarHBondContact O-N 3.23Å; V31-L34 PolarHBondContact O-N 2.96Å; V31-L34 VanDerWaalsContact O-N 3.11Å; V31-E35 HydrophobicContact CG1-CG 4.35Å; V31-E35 WeakPolarHBondContact O-CG 3.3Å; V31-E35 PolarHBondContact O-N 3.39Å
32S92.9Very high86.1Confident49 Ų4990.9 Ų90.934%0.34351%0.513SS..Hα-helixtrans-62-38.3178.9-60.80000112.8H28 E35 E36H28-S32 PolarHBondContact O-N 3.18Å; H28-S32 PolarHBondContact O-OG 2.87Å; S32-E35 PolarHBondContact O-N 2.91Å; S32-E36 VanDerWaalsContact O-CB 3.31Å; S32-E36 WeakPolarHBondContact O-CB 3.24Å; S32-E36 PolarHBondContact O-N 3.39Å
33A93.2Very high85.2Confident52 Ų5296.7 Ų96.743%0.4353%0.528SS..Hα-helixtrans-68.7-32.1175.200000113D29 V31 S37D29-A33 WeakPolarHBondContact O-CB 3.28Å; D29-A33 PolarHBondContact O-N 3.13Å; V31-A33 VanDerWaalsContact C-N 3.34Å; V31-A33 PolarHBondContact O-N 3.23Å; A33-S37 WeakPolarHBondContact O-CB 3.21Å; A33-S37 PolarHBondContact O-N 2.98Å
34L93.6Very high84.2Confident110 Ų11092.9 Ų92.958%0.57652%0.524SS*.Hα-helixtrans-73.6-39173.1-74.1169.9000111.7L30 V31 S38L30-L34 HydrophobicContact CD1-CD1 4.16Å; L30-L34 HydrophobicContact CD1-CG 4.33Å; L30-L34 HydrophobicContact CG-CD1 4.13Å; L30-L34 WeakPolarHBondContact O-CB 3.22Å; L30-L34 VanDerWaalsContact O-CG 3.23Å; L30-L34 WeakPolarHBondContact O-CG 3.15Å; L30-L34 PolarHBondContact O-N 3.47Å; V31-L34 PolarHBondContact O-N 2.96Å; V31-L34 VanDerWaalsContact O-N 3.11Å; L34-S38 WeakPolarHBondContact O-CB 3.39Å; L34-S38 PolarHBondContact O-N 2.81Å
35E89.6Confident82.5Confident113 Ų11389.5 Ų89.553%0.52852%0.519SS..Hα-helixtrans-63.9-48.7173.8-72.6176.6149.600110.5V31 S32 S37 S38 E39V31-E35 HydrophobicContact CG1-CG 4.35Å; V31-E35 WeakPolarHBondContact O-CG 3.3Å; V31-E35 PolarHBondContact O-N 3.39Å; S32-E35 PolarHBondContact O-N 2.91Å; E35-S37 PolarHBondContact O-N 3.28Å; E35-S38 CarbonylContact O-C 3.5Å; E35-S38 WeakPolarHBondContact O-CA 3.47Å; E35-S38 WeakPolarHBondContact O-CB 3.38Å; E35-S38 PolarHBondContact O-N 2.66Å; E35-S38 PolarHBondContact O-OG 3.42Å; E35-E39 PolarHBondContact O-N 3.02Å
36E85Confident80.6Confident120 Ų12096.3 Ų96.356%0.56155%0.548SS*.Hα-helixtrans-58.4-47.9174.9-165.7-162.1153.300111.3S32 S38 E39 Q40S32-E36 VanDerWaalsContact O-CB 3.31Å; S32-E36 WeakPolarHBondContact O-CB 3.24Å; S32-E36 PolarHBondContact O-N 3.39Å; E36-S38 PolarHBondContact O-N 3.19Å; E36-E39 PolarHBondContact O-N 3.36Å; E36-Q40 VanDerWaalsContact O-CG 3.32Å; E36-Q40 WeakPolarHBondContact O-CG 3.41Å; E36-Q40 PolarHBondContact O-N 2.78Å; E36-Q40 PolarHBondContact OE1-NE2 2.88Å
37S83.6Confident78.3Confident68 Ų6895.9 Ų95.948%0.47656%0.563SS.*Hα-helixtrans-62.2-31.1175.8-175.60000112.5A33 E35 A41A33-S37 WeakPolarHBondContact O-CB 3.21Å; A33-S37 PolarHBondContact O-N 2.98Å; E35-S37 PolarHBondContact O-N 3.28Å; S37-A41 WeakPolarHBondContact O-CB 3.35Å; S37-A41 PolarHBondContact O-N 3.11Å
38S75.6Confident76.4Confident68 Ų68100.4 Ų100.448%0.47659%0.585SS.*Hα-helixtrans-73.7-37.717584.10000112L34 E35 E36 A41 A42L34-S38 WeakPolarHBondContact O-CB 3.39Å; L34-S38 PolarHBondContact O-N 2.81Å; E35-S38 CarbonylContact O-C 3.5Å; E35-S38 WeakPolarHBondContact O-CA 3.47Å; E35-S38 WeakPolarHBondContact O-CB 3.38Å; E35-S38 PolarHBondContact O-N 2.66Å; E35-S38 PolarHBondContact O-OG 3.42Å; E36-S38 PolarHBondContact O-N 3.19Å; S38-A41 PolarHBondContact O-N 3.23Å; S38-A42 VanDerWaalsContact O-CB 3.26Å; S38-A42 WeakPolarHBondContact O-CB 3.31Å; S38-A42 PolarHBondContact O-N 3.28Å
39E73.9Confident73.8Confident97 Ų9797.8 Ų97.845%0.45359%0.592SS.*Hα-helixtrans-67.6-39.9173.2-75.9-160.6-160.100111.8E35 E36 A41 A42 R43E35-E39 PolarHBondContact O-N 3.02Å; E36-E39 PolarHBondContact O-N 3.36Å; E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A42 PolarHBondContact O-N 2.74Å; E39-R43 WeakPolarHBondContact O-CB 3.35Å; E39-R43 WeakPolarHBondContact O-CG 3.45Å; E39-R43 PolarHBondContact O-N 2.84Å; E39-R43 IonicContact OE2-CZ 2.82Å; E39-R43 IonicContact OE2-NH1 3.42Å; E39-R43 PolarHBondContact OE2-NH1 2.64Å; E39-R43 IonicContact OE2-NH2 3.8Å; E39-R43 PolarHBondContact OE2-NH2 2.91Å
40Q71.9Confident71.3Confident119 Ų11997 Ų9756%0.55660%0.601SS**Hα-helixtrans-61-43172.8-69.8177.719.800111.2E36E36-Q40 VanDerWaalsContact O-CG 3.32Å; E36-Q40 WeakPolarHBondContact O-CG 3.41Å; E36-Q40 PolarHBondContact O-N 2.78Å; E36-Q40 PolarHBondContact OE1-NE2 2.88Å
41A69.9Low69.2Low82 Ų8299.8 Ų99.868%0.67862%0.616SS**Hα-helixtrans-66.9-38.5175.700000112.8S37 S38 E39S37-A41 WeakPolarHBondContact O-CB 3.35Å; S37-A41 PolarHBondContact O-N 3.11Å; S38-A41 PolarHBondContact O-N 3.23Å; E39-A41 VanDerWaalsContact C-N 3.34Å
42A67.4Low67Low89 Ų89105.6 Ų105.674%0.73664%0.639SS**Hα-helixtrans-75.7-31.2-179.800000113.6S38 E39 G44S38-A42 VanDerWaalsContact O-CB 3.26Å; S38-A42 WeakPolarHBondContact O-CB 3.31Å; S38-A42 PolarHBondContact O-N 3.28Å; E39-A42 PolarHBondContact O-N 2.74Å; A42-G44 VanDerWaalsContact C-N 3.34Å; A42-G44 PolarHBondContact O-N 3.24Å
43R63.5Low64.8Low189 Ų189107.9 Ų107.971%0.71366%0.661SS**Hα-helixtrans-77.2-12.4179.5-76.7-165.3179.998.611114.8E39 G45E39-R43 WeakPolarHBondContact O-CB 3.35Å; E39-R43 WeakPolarHBondContact O-CG 3.45Å; E39-R43 PolarHBondContact O-N 2.84Å; E39-R43 IonicContact OE2-CZ 2.82Å; E39-R43 IonicContact OE2-NH1 3.42Å; E39-R43 PolarHBondContact OE2-NH1 2.64Å; E39-R43 IonicContact OE2-NH2 3.8Å; E39-R43 PolarHBondContact OE2-NH2 2.91Å; R43-G45 VanDerWaalsContact C-N 3.34Å; R43-G45 PolarHBondContact O-N 2.84Å
44G64.9Low62.8Low59 Ų59114 Ų11461%0.60869%0.685SS**  trans63.226.2161.900000117.2A42A42-G44 VanDerWaalsContact C-N 3.34Å; A42-G44 PolarHBondContact O-N 3.24Å
45G52.9Low60.7Low55 Ų55113.2 Ų113.257%0.56770%0.695SS**  trans-113.9132.2171.400000110.8R43R43-G45 VanDerWaalsContact C-N 3.34Å; R43-G45 PolarHBondContact O-N 2.84Å
46F50.3Low58.8Low220 Ų220115.1 Ų115.197%0.96571%0.714SS**  55.846.559.5-68.2-79.7000113.9
47G46.2Very low57.2Low74 Ų74113 Ų11376%0.76372%0.724SS**  trans-94.8127160.600000111.7
48D51.1Low55.4Low176 Ų176115.5 Ų115.594%0.94174%0.74SS**  trans-49136.9-179.9-172.220.7000114.6
49G40.7Very low54.3Low71 Ų71121 Ų12173%0.73276%0.763SS**  trans169.217-175.100000123.9
50G44.1Very low52.9Low55 Ų55123.5 Ų123.557%0.56778%0.779SS**  trans78.5106.8158.100000121.5H52G50-H52 PolarHBondContact O-N 2.88Å
51D48.7Very low52Low165 Ų165127.6 Ų127.688%0.88280%0.795SS**SBend69.913.9125.6-58.9-3.6000123.8
52H48.3Very low51.1Low187 Ų187135 Ų13587%0.86681%0.805SS**  trans-124.2-6.9175.6-75.2-27.1000118.9G50G50-H52 PolarHBondContact O-N 2.88Å
53A47.4Very low49.9Very low97 Ų97139.8 Ų139.880%0.80281%0.812SS**  trans-92.65.9-165.700000118.1
54L50.8Low48.9Very low180 Ų180135.6 Ų135.694%0.94282%0.818SS**  trans-105.268.4-169.4-64.5-178.5000115.1
55A47.8Very low48.5Very low94 Ų94144.1 Ų144.178%0.77783%0.832SS**SBendtrans-144.9-5.4177.400000118.2
56V50.9Low48.6Very low153 Ų153151.2 Ų151.293%0.92785%0.847SS**SBendtrans-128.970.9-173.8-166.70000112
57G51.9Low48.4Very low75 Ų75152.3 Ų152.377%0.77385%0.845SS**  trans-16757.1-175.300000115.6
58C45.4Very low48.8Very low121 Ų121160.7 Ų160.782%0.81885%0.853SS**  trans-146.477.4179.1-92.40000113.3L60C58-L60 PolarHBondContact O-N 2.76Å
59L51.4Low48.7Very low182 Ų182155.9 Ų155.995%0.95385%0.845SS**  trans-73.662.5172.2-72.7173.8000112.3K61L59-K61 PolarHBondContact O-N 2.66Å
60L44.7Very low49.1Very low150 Ų150163.7 Ų163.779%0.78585%0.852SS**  trans-78.383.6-174.9-153.676.1000112.3C58 R62C58-L60 PolarHBondContact O-N 2.76Å; L60-R62 WeakPolarHBondContact O-CG 3.36Å; L60-R62 PolarHBondContact O-N 2.9Å
61K54.4Low49.2Very low206 Ų206170.1 Ų170.190%0.89687%0.865SS**  trans-46.196.3177.8-169.3171.2-179.6172.90112.6L59 Q63L59-K61 PolarHBondContact O-N 2.66Å; K61-Q63 PolarHBondContact O-N 3.07Å
62R49.3Very low49.2Very low236 Ų236173.5 Ų173.589%0.89187%0.865SS**  trans-76.7114.1-174.3-72.1-170.1172-164.3-2.9112.8L60L60-R62 WeakPolarHBondContact O-CG 3.36Å; L60-R62 PolarHBondContact O-N 2.9Å
63Q42.9Very low48.8Very low191 Ų191174.9 Ų174.989%0.89386%0.863SS**  trans-63135.8167.9-70.1-174.6-13.900112.1K61 R65K61-Q63 PolarHBondContact O-N 3.07Å; Q63-R65 PolarHBondContact O-N 3.3Å
64A43.3Very low48.5Very low100 Ų100175.8 Ų175.883%0.82686%0.863SS**  trans-78.588.1-178.300000112.4K66A64-K66 PolarHBondContact O-N 3.19Å
65R56.9Low47.9Very low238 Ų238174.1 Ų174.190%0.89886%0.855SS**  trans-66.398.8177.6-168.9177.7-172.9-177.24.6111.7Q63 R67Q63-R65 PolarHBondContact O-N 3.3Å; R65-R67 PolarHBondContact O-N 3.27Å
66K53.6Low47.6Very low205 Ų205175.9 Ų175.989%0.89185%0.852SS**PPolyproline II helixtrans-48.7127.4175.4-69.9-175.6177.8179.90111.1A64A64-K66 PolarHBondContact O-N 3.19Å
67R47.6Very low47.2Very low243 Ų243174.5 Ų174.592%0.91785%0.846SS**PPolyproline II helixtrans-86.4123.4179.4-71.7177.966-151.70.2110.7R65R65-R67 PolarHBondContact O-N 3.27Å
68R53.4Low46.7Very low250 Ų250178.3 Ų178.394%0.94384%0.843SS**PPolyproline II helixtrans-62.8133.1174.7-153.2174-165.6-106.66.1110.3
69G49.4Very low46.7Very low74 Ų74177 Ų17776%0.76383%0.833SS**PPolyproline II helixtrans-61.6132.5-174.100000113.7K71G69-K71 PolarHBondContact O-N 3.37Å
70R49.8Very low46.4Very low236 Ų236174.2 Ų174.289%0.89183%0.826SS**  trans-86.8101.2176.3-176.5176.8-178.5-106.20.5109.9R72R70-R72 PolarHBondContact O-N 3.37Å
71K44.8Very low46.1Very low189 Ų189177.2 Ų177.282%0.82283%0.827SS**  trans-53.7121.7174.2-165.3166-173.6169.40109.9G69G69-K71 PolarHBondContact O-N 3.37Å
72R48.2Very low45Very low237 Ų237175.4 Ų175.489%0.89482%0.822SS**  trans-72.5131.5172.3-61.2175.686.1-178.25.1108R70R70-R72 PolarHBondContact O-N 3.37Å
73R41.5Very low44.3Very low215 Ų215170.9 Ų170.981%0.81182%0.82SS**  trans-113.9144.9153.1-73.7-175.5179.8-102.96.7106.4
74S41.1Very low43.9Very low117 Ų117165 Ų16582%0.81881%0.811SS**  trans-110.495.8-179.948.10000108.4
75D37.4Very low43.5Very low145 Ų145169.3 Ų169.378%0.77581%0.814SS**  trans-93.199.8177.1-54-51.6000107.8
76N41.7Very low42.5Very low131 Ų131165.4 Ų165.470%0.70181%0.81SS**  trans-114100.9178.5-178.775.3000110.1H78N76-H78 PolarHBondContact O-N 3.37Å
77P42.8Very low41.9Very low124 Ų124160.8 Ų160.881%0.80580%0.803SS**  trans-7799.6175.3-9.326.9000110
78H40.6Very low41.3Very low155 Ų155158.2 Ų158.272%0.71880%0.801SS**  trans-81.6132.7171.6-161.8-71000109.9N76N76-H78 PolarHBondContact O-N 3.37Å
79P46.7Very low40.6Very low92 Ų92150 Ų15060%0.59779%0.794SS**  trans-68.1136171.1-17.431.5000111.1
80P43.6Very low40.2Very low124 Ų124152.7 Ų152.781%0.80580%0.801SS**  trans-108.394.2-178.836.1-29.1000113.6
81W39.3Very low40.1Very low213 Ų213150.6 Ų150.681%0.80780%0.802SS**  trans-174.2150.2156.862.5-69.7000107.5
82E30.9Very low39.8Very low169 Ų169147.1 Ų147.179%0.7980%0.801SS**  cis-148.9-178.8-1.2-139.4160.1-14200111.3
83T35.7Very low39.5Very low140 Ų140141 Ų14186%0.85980%0.795SS**  trans-115138.6-168.148.80000114.8
84G32.7Very low39.4Very low67 Ų67136.6 Ų136.669%0.69179%0.791SS**  trans152.3135.4166.800000111.1
85H36.1Very low39.4Very low192 Ų192138.6 Ų138.689%0.88979%0.788SS**  cis-135171.93.3-94.9-106000112.4
86L35.8Very low39.6Very low156 Ų156139.9 Ų139.982%0.81779%0.789SS**  trans-44.4141.2174.4-53.4174000113
87S39.7Very low39.4Very low107 Ų107140.7 Ų140.775%0.74879%0.788SS**  66142.288.5-142.80000112.6
88E35.9Very low39.2Very low189 Ų189142 Ų14288%0.88378%0.782SS**  cis-141.7-170.126.2-64.7164.370.300111.8
89G37.9Very low39.2Very low77 Ų77139.9 Ų139.979%0.79478%0.776SS**  trans113.973.5155.400000117.3
90S42.8Very low38.9Very low131 Ų131145.6 Ų145.692%0.91679%0.787SS**  trans-100.8118.8155-67.60000109
91E46.2Very low38.7Very low193 Ų193150.9 Ų150.990%0.90279%0.791SS**  trans-139.9145.8159.767.3-177.111900111.9
92S39.2Very low38.6Very low115 Ų115145.5 Ų145.580%0.80479%0.792SS**  trans-139.2111.1-176.959.10000109
93S42.2Very low38.8Very low108 Ų108141.3 Ų141.376%0.75579%0.794SS**  trans-161.3121.3175.4-102.80000106.8
94V38.6Very low38.9Very low123 Ų123140.4 Ų140.475%0.74579%0.793SS**  101.4125.664.784.70000109.4
95E40.7Very low38.8Very low159 Ų159141.3 Ų141.374%0.74380%0.803SS**  trans149.6131.7131-164.656.4-90.500111.1
96E43.5Very low38.6Very low172 Ų172135.5 Ų135.580%0.80480%0.795SS**  trans-98.8139.9174.3-70.1-176.192.600110.1
97H36.1Very low38.6Very low148 Ų148134.7 Ų134.769%0.68580%0.796SS**  trans-151.389.6166.1-140.7-103.3000115.4
98K39Very low38.4Very low152 Ų152135 Ų13566%0.66180%0.798SS**  trans62.7147.6134-68.2-176.4-170.3126.70118.6
99D40.4Very low38.3Very low111 Ų111130.8 Ų130.859%0.59480%0.796SS**  cis-164.7153.48.8-125.5-21.7000111.8
100Y41Very low38.2Very low212 Ų212131.7 Ų131.783%0.83180%0.795SS**  trans58158.9167.3-65.6-70.1000118.1
101R39.9Very low37.7Very low234 Ų234132.9 Ų132.988%0.88379%0.792SS**  cis-141151.13.4171.5175.6-82.8-172.5-5.6109.6
102A36.3Very low37.2Very low101 Ų101128 Ų12884%0.83578%0.779SS**  trans-75.2156177.800000114.8
103G35.8Very low37Very low81 Ų81130.3 Ų130.384%0.83578%0.777SS**  trans-164.6116.1169.100000111.1
104S36.2Very low36.6Very low121 Ų121129.4 Ų129.485%0.84678%0.775SS**  trans-111.9119-163.555.90000114.7
105G32.1Very low36.6Very low86 Ų86133.4 Ų133.489%0.88778%0.777SS**  trans66.5141.1139.800000121.3
106G31.1Very low36.5Very low70 Ų70130.9 Ų130.972%0.72277%0.769SS**  trans124.4130141.500000118.8
107V35.1Very low36.2Very low139 Ų139129.7 Ų129.784%0.84277%0.768SS**  trans60.8111.9145.6-57.50000122.4
108S36.9Very low36.6Very low114 Ų114128 Ų12880%0.79777%0.773SS**  56.6108.9118.3-500000123.1
109A33.4Very low36.7Very low100 Ų100127.4 Ų127.483%0.82678%0.777SS**  82.1145.2121.400000123.3
110A35Very low36.9Very low95 Ų95126.7 Ų126.779%0.78578%0.78SS**  trans86.497.6144.800000122.6
111N32.2Very low37.2Very low157 Ų157123.5 Ų123.584%0.8478%0.778SS**  91.3157116.3-159.326.8000121.1
112S35.7Very low37.6Very low91 Ų91119.6 Ų119.664%0.63677%0.769SS**  trans74.7148.6175.687.70000115
113H34.9Very low37.9Very low163 Ų163121 Ų12176%0.75576%0.759SS**  cis-167.6165-544.7-80.9000110.1
114A34.4Very low38Very low88 Ų88124.5 Ų124.573%0.72776%0.758SS**  trans58.3142.2162.800000118.4
115R39.4Very low38Very low207 Ų207122.3 Ų122.378%0.78175%0.754SS**  cis117.3118.314.9-90.9-79.7-179.7173.21.4112.5
116D38.7Very low39.2Very low107 Ų107124 Ų12457%0.57275%0.75SS**  trans80.8150.2147-55.1-27.9000123.2
117N37.3Very low39.6Very low146 Ų146130.6 Ų130.678%0.78176%0.758SS**  trans84.8115.2168.6-44.8-65000116
118S43Very low39.7Very low113 Ų113135.8 Ų135.879%0.7976%0.763SS**  85.1149.153.9-58.30000112.3
119D41.3Very low39.8Very low139 Ų139142 Ų14274%0.74377%0.768SS**  cis-163.3167.119.1-154.8-22.7000112.3
120S45.9Very low41Very low96 Ų96142.5 Ų142.567%0.67176%0.764SS**  trans59.7158.9141.5-78.60000122.3
121D46.7Very low41.9Very low146 Ų146142.8 Ų142.878%0.78176%0.758SS**  cis-158.5-159.7-12.3-170.6-106.1000109.4
122E47.3Very low42Very low151 Ų151144.1 Ų144.171%0.70676%0.758SS**  trans-104.5-149-170.4-61.2-161.489.700114.9
123Q43.5Very low41.8Very low132 Ų132144 Ų14462%0.61776%0.763SS**  cis-164.1163.24.2-144.7179.573.100114.7
124L38.3Very low41.9Very low154 Ų154140.5 Ų140.581%0.80676%0.762SS**  trans70.5146.9156.8-56.3176000123
125G35.1Very low42.1Very low74 Ų74143.5 Ų143.576%0.76377%0.766SS**  121.1109120.800000120.7
126P58.9Low42Very low123 Ų123141.8 Ų141.880%0.79977%0.771SS**  trans-119.7145.7177.138.7-29.1000116.7
127K39.3Very low41.7Very low207 Ų207140 Ų14090%0.978%0.778SS**  trans167.9136.8148-101.1162.1-178.5170.20115.2
128R37.1Very low41.5Very low249 Ų249145 Ų14594%0.9479%0.786SS**  174.2176.6121.2-94.6174.9178.8-159-2.7113
129R38.9Very low41Very low243 Ų243144.5 Ų144.592%0.91778%0.782SS**  trans-141.7170.6-167.8-107.1-169177.51730.8112.7
130P58.9Low41.2Very low112 Ų112147.2 Ų147.273%0.72779%0.788SS**  trans-94-170.8-158.941.8-41.5000114.8
131P53.3Low40.9Very low101 Ų101154 Ų15466%0.65680%0.798SS**  -157.4179.494.538.5-17.1000118.8
132H34.9Very low40.5Very low185 Ų185152.2 Ų152.286%0.85680%0.795SS**  trans69.6156.6160.7-62.5-55.6000120.5
133A31.8Very low39.9Very low88 Ų88152.8 Ų152.873%0.72780%0.801SS**  cis-170.5174.8-25.500000111.9
134A35.5Very low39.7Very low90 Ų90155.6 Ų155.674%0.74481%0.806SS**  trans85.397.6159.300000122.6
135D38.2Very low40Very low151 Ų151154 Ų15481%0.80781%0.805SS**  75.6145.1118.1-88.5-54.4000127.6
136L38.3Very low40Very low170 Ų170155.8 Ų155.889%0.8980%0.797SS**  trans63.7127.1163.2-63.1163.5000119.3
137G31.7Very low39Very low70 Ų70156.6 Ų156.672%0.72280%0.795SS**  cis172.9-162.7-300000114.9
138R34.1Very low38.7Very low252 Ų252153.8 Ų153.895%0.95179%0.789SS**  trans78.2113.2-179.9-81.9-173.4172.8-107.3-1.5120
139S32.7Very low38.6Very low101 Ų101145.7 Ų145.771%0.70678%0.775SS**  trans93.796.8132.4-162.30000121.2
140K44.8Very low38.5Very low196 Ų196140.6 Ų140.685%0.85277%0.771SS**  trans64.8123.9142.7-59.9-75.6-177.7170.90118.1
141R39.3Very low37.4Very low238 Ų238143.4 Ų143.490%0.89878%0.779SS**  trans-65.9138.4175.2-58173.6-179.2165.2-2.3111.6
142P38.9Very low36.4Very low109 Ų109141.8 Ų141.871%0.70878%0.78SS**  trans-73.7155.9151.331.1-27.9000110
143I35Very low36.4Very low163 Ų163138.1 Ų138.184%0.83678%0.776SS**  trans-108.4117.5167.3-72.9174000106.5
144W38.5Very low37Very low191 Ų191138.2 Ų138.272%0.72378%0.776SS**  trans-67150.6165.1-69.6108.6000109.6
145P45.6Very low37.1Very low121 Ų121141.7 Ų141.779%0.78678%0.777SS**  -107.9138.390.5-16.933.4000115.4
146D34.1Very low37.4Very low112 Ų112138.1 Ų138.160%0.59978%0.776SS**  trans-66.2169.4147.5-25.9-94.8000108.7
147D37.3Very low37.5Very low140 Ų140136.5 Ų136.575%0.74977%0.774SS**  cis-160.3-170.5-6.9-145.1-10000106
148L34.8Very low38Very low147 Ų147144.6 Ų144.677%0.7778%0.782SS**  cis-156.2151-3.8-172.677.9000103.5
149A35Very low38.5Very low79 Ų79137.8 Ų137.865%0.65377%0.773SS**  cis-143.6172.612.700000110.8
150V36Very low39.2Very low137 Ų137141.3 Ų141.383%0.8378%0.783SS**  trans-134.5121.5148.7172.30000109.4
151L36.8Very low39.4Very low171 Ų171143 Ų14390%0.89578%0.784SS**  trans-151.4105.9150-145.984.1000109.1
152G31.3Very low40.1Very low66 Ų66143.3 Ų143.368%0.6879%0.786SS**  trans-109.4108.9176.800000111
153S34Very low41.3Very low109 Ų109149.3 Ų149.376%0.76279%0.794SS**  trans-70.6154.7163.5-59.40000110.6
154A44.3Very low42.4Very low89 Ų89153 Ų15374%0.73680%0.798SS**  trans-13252-154.300000114.8G156A154-G156 PolarHBondContact O-N 2.83Å
155E39.1Very low43.5Very low163 Ų163154.1 Ų154.176%0.76281%0.807SS**  trans-90.891.3178-74.862.5-135.400112.4
156G43.8Very low44.1Very low77 Ų77154.5 Ų154.579%0.79481%0.807SS**  trans-101.265.3-175.700000116.2A154A154-G156 PolarHBondContact O-N 2.83Å
157T40.9Very low45.6Very low136 Ų136158 Ų15883%0.83482%0.817SS**  trans-133.790.5-18045.20000114.6
158R42.9Very low47.1Very low240 Ų240162.2 Ų162.291%0.90682%0.822SS**  trans-145121.7159.5-146.8169.9-163.5-89.50.2113.8
159S42.5Very low48.1Very low109 Ų109162.5 Ų162.576%0.76282%0.822SS**  trans-67.5130.8-172.357.70000112.9R161S159-R161 VanDerWaalsContact C-N 3.27Å; S159-R161 PolarHBondContact O-N 3.37Å
160L48.1Very low49.3Very low174 Ų174163.1 Ų163.191%0.91183%0.827SS**  trans-79.167.8-172.5-159.183.6000112.4R162L160-R162 PolarHBondContact O-N 3.4Å
161R48.5Very low50.1Low232 Ų232163.2 Ų163.288%0.87583%0.827SS**  trans-57.3107.7-176.5-152.5176.9-164.9-171.67.2110.8S159 R163S159-R161 VanDerWaalsContact C-N 3.27Å; S159-R161 PolarHBondContact O-N 3.37Å; R161-R163 PolarHBondContact O-N 3.11Å
162R54.6Low51.3Low245 Ų245161.6 Ų161.693%0.92582%0.82SS**  trans-59.889.5-168.1-178.8180164.1-144.40.7113.6L160 R164L160-R162 PolarHBondContact O-N 3.4Å; R162-R164 PolarHBondContact O-N 2.79Å
163R64.7Low52.9Low235 Ų235163.8 Ų163.889%0.88782%0.822SS**  trans-58.7130.8177.7-61.9175.575.3-1765111.1R161R161-R163 PolarHBondContact O-N 3.11Å
164R57.5Low54.1Low241 Ų241164.1 Ų164.191%0.90982%0.821SS**  trans-66.2135.8171.8-85.6179.5167.7164.6-2.8110R162 V166R162-R164 PolarHBondContact O-N 2.79Å; R164-V166 PolarHBondContact O-N 2.95Å
165K60.9Low54.7Low214 Ų214166.6 Ų166.693%0.9383%0.827SS**  trans-73.3109.8168.7-68.4-174.2177.9-176.90109.2
166V58.3Low55Low129 Ų129166.6 Ų166.678%0.78283%0.827SS**  trans-76.2128.6165.9178.70000108R164 R168R164-V166 PolarHBondContact O-N 2.95Å; V166-R168 PolarHBondContact O-N 3.16Å
167K65.9Low55.5Low184 Ų184168.1 Ų168.180%0.882%0.823SS**  trans-80.6113170179.6169.3176.81790107.8
168R68.4Low55.6Low229 Ų229169.6 Ų169.686%0.86482%0.82SS**PPolyproline II helixtrans-66.3135166.2-54.1-17292.1172.65.8107.8V166V166-R168 PolarHBondContact O-N 3.16Å
169M55.9Low55.5Low154 Ų154163.5 Ų163.576%0.75981%0.812SS**PPolyproline II helixtrans-71.5155.9162-64.3-59.4-74.600108.6
170A61.2Low55.2Low92 Ų92167 Ų16776%0.7682%0.816SS**PPolyproline II helixtrans-66.6136.2165.200000108.2
171V53.4Low54.7Low138 Ų138164.4 Ų164.484%0.83681%0.812SS**  trans-114.9115.4162.6177.70000103.6
172D60.2Low54Low138 Ų138158.9 Ų158.974%0.73881%0.809SS**PPolyproline II helixtrans-67.2143.1177.1-66.1-46.3000109.3
173P66.5Low53.2Low112 Ų112154.4 Ų154.473%0.72780%0.802SS**PPolyproline II helixtrans-64.7144.1179.527.9-34.4000110.3
174P57.6Low52Low115 Ų115151.4 Ų151.475%0.74780%0.803SS**PPolyproline II helixtrans-60.8150.1169.728.7-34.7000110.1E176P174-E176 PolarHBondContact O-N 3.43Å
175V57.6Low51.2Low142 Ų142148.2 Ų148.286%0.86180%0.803SS**PPolyproline II helixtrans-70.4117175171.70000109.1
176E45.6Very low50Low162 Ų162141.1 Ų141.176%0.75779%0.79SS**PPolyproline II helixtrans-61.2134.9170.6-73.1-74.3169.800110.7P174P174-E176 PolarHBondContact O-N 3.43Å
177P53.8Low49.5Very low109 Ų109141 Ų14171%0.70879%0.792SS**PPolyproline II helixtrans-79.9130.2169.131.8-31.4000111.1
178E43.2Very low48.5Very low167 Ų167137.6 Ų137.678%0.7879%0.789SS**PPolyproline II helixtrans-52.6129.7178.9-69.7-80121.200112.8H180E178-H180 PolarHBondContact O-N 3.46Å
179P42.1Very low47.3Very low112 Ų112132.7 Ų132.773%0.72779%0.786SS**PPolyproline II helixtrans-70.1131.6178.129-34.2000111.2S181P179-S181 PolarHBondContact O-N 2.81Å
180H35.6Very low46.9Very low184 Ų184131.5 Ų131.585%0.85279%0.787SS**PPolyproline II helixtrans-67.6121.4-178.7-46.7-42.4000111E178 S182E178-H180 PolarHBondContact O-N 3.46Å; H180-S182 PolarHBondContact O-N 2.83Å
181S36.8Very low45.8Very low118 Ų118133 Ų13383%0.82579%0.789SS**  trans-69.5114.4179.539.10000111.5P179P179-S181 PolarHBondContact O-N 2.81Å
182S34.2Very low44.8Very low116 Ų116136.5 Ų136.581%0.81179%0.793SS**  trans-72.115117248.70000111.5H180H180-S182 PolarHBondContact O-N 2.83Å
183I38.5Very low43.4Very low152 Ų152134.4 Ų134.478%0.77980%0.796SS**  trans-81.1127.9-169.8-60.6166.5000110.6
184L38.1Very low41.8Very low172 Ų172140.3 Ų140.390%0.90180%0.803SS**  trans-126.2139.6155.8-73.3176.9000109.4
185L40.9Very low40.4Very low174 Ų174141.8 Ų141.891%0.91181%0.81SS**  trans-82.9135-170.8-70.2161.7000111.8
186G35.7Very low39.1Very low64 Ų64137.9 Ų137.966%0.6680%0.799SS**  trans-136146.8168.800000110.6
187P48.8Very low38.3Very low126 Ų126135.3 Ų135.382%0.81880%0.799SS**PPolyproline II helixtrans-73.3147.4-172.829.3-35.1000112.9
188P45.4Very low37.3Very low114 Ų114141.3 Ų141.374%0.7481%0.807SS**PPolyproline II helixtrans-81.1138.9-172.931.5-35.4000113.5
189P42Very low36.7Very low126 Ų126138.7 Ų138.782%0.81881%0.807SS**PPolyproline II helixtrans-77.6129169.530.9-32.6000111.5
190V46.8Very low36.1Very low128 Ų128140.9 Ų140.978%0.77681%0.807SS**PPolyproline II helixtrans-83.8133-180-176.80000110.7
191P39.1Very low35.9Very low124 Ų124142.9 Ų142.981%0.80581%0.807SS**PPolyproline II helixtrans-71.4139.7-179.829-35.3000112.5
192K33.3Very low35.7Very low211 Ų211143.3 Ų143.392%0.91780%0.8SS**  trans-111.9135.6171.2-75.6-176.3175.2179.10110.9
193A30.7Very low35.4Very low95 Ų95144.3 Ų144.379%0.78581%0.805SS**  trans-149.2154.2171.600000111.7
194R31.1Very low34.9Very low235 Ų235140.6 Ų140.689%0.88780%0.804SS**  trans85.4120.5170.4-60.8-174.4169.8-172.2-3.5119.3
195V29.6Very low34.7Very low146 Ų146138.7 Ų138.789%0.88580%0.795SS**  trans61.6132.3133.2-176.60000119.3
196G29.6Very low34.4Very low61 Ų61138.4 Ų138.463%0.62979%0.789SS**  cis155.7160.2-13.100000116.6
197S28.6Very low34.3Very low108 Ų108140.8 Ų140.876%0.75580%0.796SS**  trans81.1142.4157.182.30000122.1
198R34.2Very low33.9Very low235 Ų235146.3 Ų146.389%0.88780%0.8SS**  trans73.1148166.2-44.7-171-175.1-155-1.5116.1
199S30.5Very low33.3Very low111 Ų111144.3 Ų144.378%0.77680%0.8SS**  cis-139.8128.315.3-68.60000115.9
200H29.2Very low33Very low159 Ų159143.4 Ų143.474%0.73680%0.804SS**  trans19.1121.8134.9-169.3-95.6000122.3
201R30.1Very low32.6Very low225 Ų225144.3 Ų144.385%0.84980%0.801SS**  -166.4114.9127.2-110.6-166.5-67.3-128.35.3115
202L32.8Very low32.4Very low128 Ų128145.7 Ų145.767%0.6780%0.797SS**  trans44.8128.4138.9-55.6174.6000123.5
203C27.6Very low32.5Very low136 Ų136141.6 Ų141.692%0.91978%0.784SS**  trans55.6149.3150.2-59.20000119.1
204G28.4Very low32.5Very low74 Ų74142.7 Ų142.776%0.76379%0.785SS**  cis167.5165.2-0.400000106.9
205N33.5Very low32.4Very low133 Ų133135.5 Ų135.571%0.71178%0.784SS**  cis-148.8167-3.263.9-47.7000110.5
206E34.9Very low32.3Very low168 Ų168132.5 Ų132.579%0.78578%0.783SS**  trans27.3117.1151.4-59.9166111.100121.7
207S33.8Very low32.3Very low114 Ų114133.3 Ų133.380%0.79779%0.79SS**  -166137103.9-1620000115
208R40.7Very low32.4Very low241 Ų241136.4 Ų136.491%0.90980%0.798SS**  trans-20.1145.7162.8-51.5166.1-169.7-171.10.6117.5
209G32.1Very low32.4Very low72 Ų72133.5 Ų133.574%0.74280%0.799SS**  cis152.4166.5-8.500000114.9
210A36.6Very low32.3Very low108 Ų108131.2 Ų131.289%0.89379%0.793SS**  trans64.4148.5154.800000119.6
211M38.2Very low32.4Very low147 Ų147129.4 Ų129.472%0.72480%0.798SS**  cis-149.8145.5-4.288.5-177.7-79.800108.8L213M211-L213 HydrophobicContact CE-CD1 4.14Å
212E35.6Very low32.4Very low152 Ų152125.4 Ų125.471%0.7180%0.798SS**  58.214992.2-94.6-165.8156.200116.5
213L35.6Very low32.3Very low126 Ų126122.4 Ų122.466%0.6680%0.798SS**  cis-139.7154.16.1-85.8121.5000108.2M211M211-L213 HydrophobicContact CE-CD1 4.14Å
214C30.2Very low32.6Very low118 Ų118123.2 Ų123.280%0.79779%0.789SS**  85.9139.550.7-59.60000116.6
215G28.3Very low32.9Very low84 Ų84127.2 Ų127.287%0.86679%0.785SS**  trans105139.6169.300000116.2
216G28.2Very low32.9Very low83 Ų83128 Ų12886%0.85679%0.789SS**  cis125.7106-14.700000115.5
217G28.4Very low33.1Very low77 Ų77131.2 Ų131.279%0.79479%0.794SS**  trans111129.2178.600000112.2
218L31.4Very low33Very low174 Ų174132.5 Ų132.591%0.91180%0.797SS**  cis90.292.727.2-165.9104.1000114.8
219L34.1Very low32.9Very low173 Ų173129.9 Ų129.991%0.90679%0.792SS**  trans179.5135.5132.6-171.458.6000113.5
220G28.9Very low33.4Very low64 Ų64135.5 Ų135.566%0.6680%0.796SS**  trans74.590.7131.700000124.7
221S30.1Very low33.3Very low120 Ų120141 Ų14184%0.83979%0.794SS**  79.7160.1126.7-148.60000123.4
222V30.8Very low33.5Very low141 Ų141143.6 Ų143.686%0.85580%0.801SS**  trans73.7135169.2-166.40000118.6
223G31.5Very low33.3Very low65 Ų65144.5 Ų144.567%0.6781%0.81SS**  trans93.369.2165.200000115.8
224E33.4Very low33.1Very low154 Ų154142.5 Ų142.572%0.7281%0.812SS**  84.614588.6-86.2-145.998.900117.5
225K35.7Very low33.3Very low157 Ų157145.8 Ų145.868%0.68382%0.817SS**  trans64.396154.2-70.2155.7178.1142.20119.8
226N32.4Very low33.3Very low150 Ų150151.2 Ų151.280%0.80282%0.821SS**  53.7128.2119.4-100-43.4000119.3
227R38.8Very low33.7Very low235 Ų235158.4 Ų158.489%0.88782%0.822SS**  cis-149.8178.237.3-63.8173.781.1163.5-0.4113.1
228V32.5Very low33.8Very low141 Ų141163 Ų16386%0.85583%0.827SS**  trans-80.5147.8-162.2175.50000115.7
229K38.6Very low33.6Very low186 Ų186158 Ų15881%0.80982%0.818SS**  trans-95.3129.4170.8-68.3165.5176166.40112.4
230K42.7Very low33.5Very low191 Ų191158.6 Ų158.683%0.8382%0.821SS**  60.8153129-158.3176.8-174.8177.50120.6
231R33Very low33.7Very low223 Ų223163.8 Ų163.884%0.84283%0.828SS**  trans90.2133.7174-52.4172.6-64.9174.96.3112.5
232K43.7Very low33.9Very low201 Ų201162.9 Ų162.987%0.87483%0.828SS**  cis76.9114.538-174.6-177.6177.6176.30113.6
233L31.2Very low34Very low172 Ų172160.8 Ų160.890%0.90183%0.825SS**  trans167.4157.2156.2-89.5163.1000105.1
234A31.9Very low34Very low84 Ų84165 Ų16569%0.69483%0.832SS**  cis-159.4173.1-17.700000109.1
235M33.6Very low34.1Very low186 Ų186165.8 Ų165.892%0.91684%0.836SS**  trans-101.2146.8163.1-71.1167.161.300110.2
236Q28.3Very low34.1Very low199 Ų199161.5 Ų161.593%0.9384%0.837SS**  trans-138.9170.3162-84.3-170.6-35.400110.7
237R36.2Very low33.9Very low234 Ų234160.7 Ų160.788%0.88384%0.837SS**  trans-147.6162.4-172.3-120.9-171.4-178.9-159.30.7110.6
238L31.2Very low33.5Very low172 Ų172155.4 Ų155.490%0.90183%0.83SS**  trans71140.1172.4-95.776.5000117.6
239G26.8Very low33.9Very low71 Ų71155.4 Ų155.473%0.73283%0.831SS**  trans155.376.5155.700000119
240L32.4Very low33.6Very low185 Ų185154.6 Ų154.697%0.96983%0.829SS**  trans66.2142.9142.8-68.2163.8000123.8
241E32.2Very low33.3Very low173 Ų173149.7 Ų149.781%0.80882%0.819SS**  trans-65.8150.3165.5-98-87.9164.400114.8
242A34.3Very low33.3Very low101 Ų101147 Ų14784%0.83582%0.816SS**  trans-167156148.800000109.9
243A34Very low32.9Very low96 Ų96145 Ų14579%0.79382%0.815SS**  trans-126.1156.3-173.700000113.9
244D30.3Very low33.6Very low153 Ų153142.5 Ų142.582%0.81881%0.809SS**  trans-163.1117.5164.8-134.526.4000104.4
245E36.4Very low33.8Very low172 Ų172146.5 Ų146.580%0.80482%0.818SS**  72.3138.871.7-76-68.1179.700115.8
246G34.8Very low33.7Very low67 Ų67143.7 Ų143.769%0.69182%0.817SS**  trans95.2104.2-175.700000114.3
247V30.1Very low33.9Very low132 Ų132139.4 Ų139.480%0.881%0.809SS**  cis88.3101.439.5-176.90000114.4
248V29.7Very low34.5Very low124 Ų124133.6 Ų133.675%0.75280%0.801SS**  176.4142.3126.3153.50000108.9
249V40.4Very low34.4Very low142 Ų142135.3 Ų135.386%0.86180%0.801SS**  trans-144.4118.8169.8174.10000110.1
250E32.7Very low34.7Very low168 Ų168141.1 Ų141.179%0.78581%0.81SS**  trans-145.7134.8159.9-61.9-173.2123.900104
251S35.5Very low34.4Very low89 Ų89136 Ų13662%0.62280%0.801SS**  cis67.2135.146.591.60000112
252E33.6Very low34.3Very low165 Ų165133.3 Ų133.377%0.77180%0.802SS**  cis-161.6163.6152.4-136.465.700111.9
253D36.1Very low34.4Very low160 Ų160138.5 Ų138.586%0.85681%0.806SS**  trans-79.5148.6167.6-78.1-57.1000111.9
254P45.7Very low34.4Very low120 Ų120143 Ų14378%0.77981%0.81SS**  -144.416012235.5-20.6000115.9
255L35.4Very low35.2Very low168 Ų168145.4 Ų145.488%0.8881%0.814SS**  trans-80.6147.8-177.6-49.893000114.5
256S32.5Very low35.1Very low127 Ų127145.4 Ų145.489%0.88882%0.815SS**  171.2165.3126.743.10000113.8
257S32Very low35Very low109 Ų109149.9 Ų149.976%0.76282%0.819SS**  trans-125.1-163.7-177.366.70000109.7
258P47.4Very low35.4Very low111 Ų111150.6 Ų150.672%0.72182%0.817SS**  cis-135.1173.6-15.140.7-25.6000114.6
259K30.9Very low35.8Very low208 Ų208152.3 Ų152.390%0.90482%0.822SS**  trans-173.6164.5133.4-113.7179.3179.5-1790115.7
260E31.3Very low35.7Very low193 Ų193153.1 Ų153.190%0.90282%0.816SS**  trans-106.9164.1-175-53.5160.597.900113.4
261G27.5Very low35.9Very low77 Ų77154.9 Ų154.979%0.79483%0.825SS**  116.580.3117.500000121.3
262S29.4Very low36Very low118 Ų118160.5 Ų160.583%0.82584%0.838SS**  trans-168.8124.6147.549.90000108.9
263K35.7Very low35.8Very low210 Ų210155.6 Ų155.691%0.91383%0.832SS**  cis83.489.622.6-162.4-171179.3-177.30115.2
264E34.4Very low35.7Very low191 Ų191153.3 Ų153.389%0.89383%0.828SS**  trans-140.7155.1158.1-156.1154.7-124.800110.2
265K48.2Very low35.2Very low203 Ų203155 Ų15588%0.88383%0.831SS**  trans-150.3115-172.5-122.8-160.6-179.8-163.60109
266M33.9Very low35.3Very low171 Ų171155 Ų15584%0.84283%0.826SS**  trans-167.8147.9175.1-127.8155.6-175.900108
267E32.8Very low35.5Very low162 Ų162155.6 Ų155.676%0.75782%0.82SS**  cis-158.1169.4-26.8-178.9154.1-167.400107.3
268L38.5Very low35.9Very low147 Ų147158.3 Ų158.377%0.7782%0.822SS**  trans-87.8135.9174173.770000109.3
269D39Very low35.6Very low159 Ų159157 Ų15785%0.8582%0.816SS**  trans-145.5151.1158.4-133-28.9000111.7
270E38.2Very low35.7Very low159 Ų159153.8 Ų153.874%0.74381%0.808SS**  trans-100.7140.2-170-59.5-177.4106.800112.5
271Q35Very low35.8Very low206 Ų206148.9 Ų148.996%0.96380%0.795SS**  trans-130.2144.7156.8-79.1-165.7-97.300111.7
272K38Very low36.1Very low206 Ų206153.4 Ų153.490%0.89680%0.796SS**  trans-142.9134.3-150.9-178.1173.7-177.61690111.5
273G30.4Very low36.1Very low63 Ų63153.5 Ų153.565%0.64979%0.792SS**  trans149.8108.9174.200000109.1
274S34.4Very low36.2Very low111 Ų111148.7 Ų148.778%0.77678%0.784SS**  87.388.850.475.80000113.5
275D33.4Very low36.4Very low156 Ų156144.7 Ų144.783%0.83478%0.777SS**  trans-162108.1134.9-115.615.7000104
276E37.4Very low35.8Very low168 Ų168142.4 Ų142.479%0.78578%0.78SS**  77.6125.868.5-60.8-88.1156.200111.5
277D37.6Very low35.7Very low140 Ų140139.7 Ų139.775%0.74978%0.778SS**  trans62.2139.4177.3-98.6-41.4000118.9
278M40.9Very low35.9Very low166 Ų166139.6 Ų139.682%0.81878%0.783SS**  cis-130.6153.98-63.1-152.2144.400114.2
279S40.5Very low35.9Very low83 Ų83137.7 Ų137.758%0.5878%0.781SS**  trans-76.1-179.4161-148.50000109.7
280D33.6Very low36.2Very low141 Ų141135 Ų13575%0.75478%0.775SS**  cis-148.3131.523-87-60.4000113.8
281S32.1Very low36.2Very low89 Ų89134.7 Ų134.762%0.62278%0.778SS**  39.3109.1102.1-52.30000121.3
282E33.9Very low36.5Very low173 Ų173128.2 Ų128.281%0.80877%0.767SS**  trans51.7137.5131.4-9.3-161110.900125.8
283T31.2Very low37.3Very low120 Ų120121.2 Ų121.274%0.73675%0.753SS**  trans79.9139.6145.266.20000123.7
284S36.4Very low38.1Very low108 Ų108126 Ų12676%0.75576%0.763SS**  trans72164.7152.384.20000118.4
285S38.4Very low38.5Very low108 Ų108129.6 Ų129.676%0.75576%0.761SS**  cis-172.3129.6-39.6-91.10000109.3
286V36.4Very low39.3Very low154 Ų154128 Ų12893%0.93376%0.757SS**  trans-166.2156.5150.4-101.60000110.5
287S32.3Very low40.1Very low114 Ų114124.9 Ų124.980%0.79775%0.746SS**  trans-125.5152.9-159.7-50.70000115.2
288N37.2Very low41Very low161 Ų161123.8 Ų123.886%0.86174%0.74SS**  trans65.7163.3157.1-99.617.7000118.2
289S38.2Very low41.9Very low106 Ų106124 Ų12474%0.74174%0.739SS**  cis-142.516816.667.60000115.8
290S44.8Very low42.8Very low103 Ų103123.2 Ų123.272%0.7274%0.744SS**  trans-61176.4156.4-47.10000111.8
291D38.7Very low43.9Very low152 Ų152126.2 Ų126.281%0.81374%0.744SS**  cis-141.1163.512.917443.6000112.3G293D291-G293 PolarHBondContact OD1-N 3.04Å; D291-G293 VanDerWaalsContact OD1-N 3.14Å
292G41Very low45Very low70 Ų70131.7 Ų131.772%0.72276%0.76SS**  trans-15419.6179.200000115.8L294G292-L294 PolarHBondContact O-N 3.42Å
293G54.9Low46.3Very low59 Ų59126.6 Ų126.661%0.60875%0.754SS**  trans5548.3157.500000118D291 Y295D291-G293 PolarHBondContact OD1-N 3.04Å; D291-G293 VanDerWaalsContact OD1-N 3.14Å; G293-Y295 PolarHBondContact O-N 2.73Å
294L45.8Very low47.5Very low163 Ų163127.9 Ų127.985%0.85376%0.757SS**  trans-89.491.5170.3-88.9166000111.2G292 T296G292-L294 PolarHBondContact O-N 3.42Å; L294-T296 PolarHBondContact O-N 2.84Å
295Y43.5Very low48.5Very low187 Ų187129.6 Ų129.673%0.73376%0.757SS**  trans-58.893.1173.3-177.2-104.1000111.2G293 N297G293-Y295 PolarHBondContact O-N 2.73Å; Y295-N297 VanDerWaalsContact C-N 3.34Å; Y295-N297 HydrophobicContact CD1-CB 4.06Å; Y295-N297 HydrophobicContact CE1-CB 3.82Å; Y295-N297 PolarHBondContact O-N 2.95Å
296T50.4Low49.5Very low124 Ų124132.6 Ų132.676%0.76176%0.759SS**  trans-74.488.2170.547.10000109.1L294 D298L294-T296 PolarHBondContact O-N 2.84Å; T296-D298 VanDerWaalsContact C-N 3.27Å; T296-D298 PolarHBondContact O-N 2.87Å
297N54.1Low50.5Low102 Ų102133.1 Ų133.155%0.54575%0.752SS.*  trans-67.889167.7-171.7-32.6000108.6Y295Y295-N297 VanDerWaalsContact C-N 3.34Å; Y295-N297 HydrophobicContact CD1-CB 4.06Å; Y295-N297 HydrophobicContact CE1-CB 3.82Å; Y295-N297 PolarHBondContact O-N 2.95Å
298D56.4Low51.7Low116 Ų116132 Ų13262%0.6274%0.744SS**  trans-105.68.9-179.1-151.934.6000112.3T296 G300 R301T296-D298 VanDerWaalsContact C-N 3.27Å; T296-D298 PolarHBondContact O-N 2.87Å; D298-G300 PolarHBondContact O-N 3.46Å; D298-R301 IonicContact OD1-NH1 2.78Å
299E59.6Low52.7Low172 Ų172131.7 Ų131.780%0.80474%0.742SS**THydrogen-bonded Turntrans-72.823.1169.5-61.417910800112.2
300G60.7Low53.4Low65 Ų65138.4 Ų138.467%0.6775%0.751SS**THydrogen-bonded Turntrans-110.712.6-171.200000115.3D298D298-G300 PolarHBondContact O-N 3.46Å
301R55.7Low53.2Low205 Ų205141.1 Ų141.177%0.77475%0.751SS**  trans-135.310.2-178-72.5-154.4-173.888.30.7116.5D298 G303D298-R301 IonicContact OD1-NH1 2.78Å; R301-G303 PolarHBondContact O-N 2.82Å
302Q56.4Low53.6Low203 Ų203139.2 Ų139.295%0.94975%0.748SS**  trans-89.886.5162.1-73.3178.8-1400107.9
303G59.3Low53.8Low67 Ų67142.3 Ų142.369%0.69175%0.748SS**SBendtrans-174.2114.6-17900000112.5R301R301-G303 PolarHBondContact O-N 2.82Å
304D58.1Low53.3Low147 Ų147142.6 Ų142.679%0.78675%0.75SS**SBendtrans74.255167.6-15333.8000116.2
305D56.8Low52.8Low143 Ų143143 Ų14377%0.76575%0.748SS**  trans-122.8-12.4149.380.9-14.1000115.1Q307D305-Q307 PolarHBondContact O-N 3.25Å
306E58.4Low53.1Low171 Ų171140.6 Ų140.680%0.79976%0.755SS**  trans-71.345172.2-58.4177.2145.400113.7
307Q57.8Low52.9Low165 Ų165137.3 Ų137.377%0.77175%0.746SS**  trans-121.436.4177-80.5-71.3-83.200111.8D305D305-Q307 PolarHBondContact O-N 3.25Å
308S58.9Low52.3Low90 Ų90138.4 Ų138.463%0.62976%0.762SS**  trans-134.826.817766.80000115W310S308-W310 PolarHBondContact O-N 3.3Å
309D57.1Low51.6Low155 Ų155136.5 Ų136.583%0.82977%0.769SS**  trans-74.462.5165-71.5-21.3000110.8F311D309-F311 PolarHBondContact O-N 2.9Å
310W53.4Low50.7Low247 Ų247134.6 Ų134.694%0.93678%0.775SS**  trans-78.546163.6-94.7-40.9000110.8S308 C312S308-W310 PolarHBondContact O-N 3.3Å; W310-C312 PolarHBondContact O-N 3.49Å
311F39.3Very low49.8Very low161 Ų161134.6 Ų134.671%0.70678%0.775SS**  trans-76.5108.3176.3-160.3-101.3000109.2D309 D313D309-F311 PolarHBondContact O-N 2.9Å; F311-D313 VanDerWaalsContact C-N 3.3Å; F311-D313 HydrophobicContact CD1-CB 3.75Å; F311-D313 HydrophobicContact CE1-CB 3.88Å; F311-D313 PolarHBondContact O-N 3.25Å; F311-D313 VanDerWaalsContact O-N 3.08Å
312C48.7Very low49.6Very low111 Ų111131.5 Ų131.575%0.7578%0.782SS**  trans-76.388.4164.8-65.30000107.5W310 G314W310-C312 PolarHBondContact O-N 3.49Å; C312-G314 VanDerWaalsContact C-N 3.26Å; C312-G314 PolarHBondContact O-N 2.86Å
313D44.6Very low49Very low136 Ų136125.5 Ų125.573%0.72777%0.774SS**  trans-70.888.6171.6-148.3-13.3000108.8F311 E315F311-D313 VanDerWaalsContact C-N 3.3Å; F311-D313 HydrophobicContact CD1-CB 3.75Å; F311-D313 HydrophobicContact CE1-CB 3.88Å; F311-D313 PolarHBondContact O-N 3.25Å; F311-D313 VanDerWaalsContact O-N 3.08Å; D313-E315 VanDerWaalsContact C-N 3.3Å; D313-E315 PolarHBondContact O-N 2.91Å
314G43.6Very low48.3Very low64 Ų64124.5 Ų124.566%0.6676%0.764SS**  trans-81.270.5-17300000111.9C312 P316C312-G314 VanDerWaalsContact C-N 3.26Å; C312-G314 PolarHBondContact O-N 2.86Å; G314-P316 WeakPolarHBondContact O-CD 3.41Å
315E36.3Very low47.9Very low172 Ų172122.5 Ų122.580%0.80477%0.768SS**  trans-59.1120169.5-172.7176.7-159.300109.1D313 G317D313-E315 VanDerWaalsContact C-N 3.3Å; D313-E315 PolarHBondContact O-N 2.91Å; E315-G317 PolarHBondContact O-N 3.16Å
316P50Low47.7Very low136 Ų136119.5 Ų119.588%0.88376%0.757SS**  trans-81.658.6-172.433.6-35.9000111.6G314G314-P316 WeakPolarHBondContact O-CD 3.41Å
317G45.6Very low47.2Very low55 Ų55115.3 Ų115.357%0.56776%0.759SS**  trans-134.8106-172.300000114E315E315-G317 PolarHBondContact O-N 3.16Å
318S42.3Very low46.7Very low126 Ų126112.8 Ų112.888%0.88175%0.75SS**SBendtrans65.885.4162.7-172.10000119.2
319G40.3Very low46.1Very low75 Ų75113.5 Ų113.577%0.77376%0.762SS**  87.6117.9126.900000119.8
320S42.4Very low46Very low132 Ų132110 Ų11092%0.92376%0.762SS**SBendtrans77.876.9156.7-170.50000119.2
321G41.3Very low45.9Very low66 Ų66102.8 Ų102.868%0.6875%0.745SS**  trans126123.214200000115.8G323G321-G323 PolarHBondContact O-N 3.29Å
322P50.8Low47.2Very low140 Ų14098.9 Ų98.991%0.90973%0.734SS**  trans-70.6118.6171.528.9-32.5000110.4G324P322-G324 PolarHBondContact O-N 3.29Å; P322-G324 VanDerWaalsContact O-N 3.14Å
323G43.5Very low48Very low76 Ų7694.6 Ų94.678%0.78471%0.705SS**  trans-73.998.7178.100000112.1G321 A325G321-G323 PolarHBondContact O-N 3.29Å; G323-A325 PolarHBondContact O-N 3.43Å
324G45.5Very low48.8Very low46 Ų4697.8 Ų97.847%0.47471%0.707SS.*  trans-59.7122.6-179.500000113.4P322 C326P322-G324 PolarHBondContact O-N 3.29Å; P322-G324 VanDerWaalsContact O-N 3.14Å; G324-C326 PolarHBondContact O-N 2.77Å
325A49.2Very low49.6Very low105 Ų105102.9 Ų102.987%0.86871%0.706SS**THydrogen-bonded Turntrans-7551.4-172.900000114.6G323G323-A325 PolarHBondContact O-N 3.43Å
326C52.2Low50.5Low81 Ų8199.2 Ų99.255%0.54769%0.689SS.*THydrogen-bonded Turntrans-149.819.5174.857.80000115.3G324 I328G324-C326 PolarHBondContact O-N 2.77Å; C326-I328 PolarHBondContact O-N 3.16Å; C326-I328 VanDerWaalsContact O-N 3.11Å
327G48.6Very low50.8Low82 Ų82100.9 Ų100.985%0.84568%0.678SS**SBendtrans70.57.7165.700000116.6
328I47.8Very low51Low113 Ų113106.4 Ų106.458%0.57969%0.689SS**  trans-122.2106174.6-59.1178.8000108.1C326 G330 V331C326-I328 PolarHBondContact O-N 3.16Å; C326-I328 VanDerWaalsContact O-N 3.11Å; I328-G330 PolarHBondContact O-N 3.34Å; I328-V331 HydrophobicContact CG2-CB 4.34Å; I328-V331 HydrophobicContact CG2-CG2 3.7Å
329A45.1Very low51.3Low105 Ų105104.7 Ų104.787%0.86868%0.682SS**THydrogen-bonded Turntrans-62.7134.8177.400000111.3
330G54.9Low51.4Low81 Ų81105.6 Ų105.684%0.83568%0.683SS**THydrogen-bonded Turntrans88.1-2.7172.600000116.9I328 V332I328-G330 PolarHBondContact O-N 3.34Å; G330-V332 PolarHBondContact O-N 2.9Å
331V52.7Low51.4Low96 Ų96103.1 Ų103.158%0.58267%0.665SS**  trans-97.187.7174.3-177.50000110.1I328 P333I328-V331 HydrophobicContact CG2-CB 4.34Å; I328-V331 HydrophobicContact CG2-CG2 3.7Å; V331-P333 WeakPolarHBondContact O-CD 3.34Å
332V65.5Low51.3Low78 Ų78107.5 Ų107.547%0.47367%0.668SS.*  trans-64.9120.3169.1-179.60000108.8G330 E336 R337G330-V332 PolarHBondContact O-N 2.9Å; V332-E336 HydrophobicContact CG1-CB 4Å; V332-R337 PolarHBondContact O-NH2 3.11Å
333P66.4Low51.3Low21 Ų21110.6 Ų110.614%0.13667%0.67CS.*  trans-55.1147175.8-23.733.4000112.3V331 W335 E336 R337V331-P333 WeakPolarHBondContact O-CD 3.34Å; P333-W335 HydrophobicContact CB-CD2 3.68Å; P333-W335 HydrophobicContact CB-CE3 4.15Å; P333-W335 HydrophobicContact CB-CG 4.19Å; P333-W335 HydrophobicContact CB-CH2 4.01Å; P333-W335 HydrophobicContact CB-CZ2 3.52Å; P333-W335 HydrophobicContact CB-CZ3 4.3Å; P333-W335 HydrophobicContact CG-CZ2 3.99Å; P333-W335 PolarHBondContact O-N 2.9Å; P333-W335 VanDerWaalsContact O-N 3.16Å; P333-E336 HydrophobicContact CB-CG 4.42Å; P333-E336 WeakPolarHBondContact CD-OE2 3.39Å; P333-E336 HydrophobicContact CG-CG 4.36Å; P333-E336 PolarHBondContact O-N 3.35Å; P333-R337 PolarHBondContact O-N 3.26Å
334W60.2Low51.7Low203 Ų203112.6 Ų112.677%0.76966%0.662SS**THydrogen-bonded Turntrans-65-22-176.665.3-83.4000113.3
335W61.3Low51.9Low171 Ų171116.8 Ų116.865%0.64867%0.674SS**THydrogen-bonded Turntrans-84.5-17174.359.877.8000114.7P333P333-W335 HydrophobicContact CB-CD2 3.68Å; P333-W335 HydrophobicContact CB-CE3 4.15Å; P333-W335 HydrophobicContact CB-CG 4.19Å; P333-W335 HydrophobicContact CB-CH2 4.01Å; P333-W335 HydrophobicContact CB-CZ2 3.52Å; P333-W335 HydrophobicContact CB-CZ3 4.3Å; P333-W335 HydrophobicContact CG-CZ2 3.99Å; P333-W335 PolarHBondContact O-N 2.9Å; P333-W335 VanDerWaalsContact O-N 3.16Å
336E55.3Low52Low96 Ų96120.3 Ų120.345%0.44968%0.677SS.*THydrogen-bonded Turntrans-85.4-16.9174.2-76.9177.8-167.500112.2V332 P333 E338 A339V332-E336 HydrophobicContact CG1-CB 4Å; P333-E336 HydrophobicContact CB-CG 4.42Å; P333-E336 WeakPolarHBondContact CD-OE2 3.39Å; P333-E336 HydrophobicContact CG-CG 4.36Å; P333-E336 PolarHBondContact O-N 3.35Å; E336-E338 PolarHBondContact O-N 2.81Å; E336-A339 PolarHBondContact O-N 3.21Å; E336-A339 VanDerWaalsContact O-N 3.14Å
337R55.8Low52.2Low171 Ų171119.3 Ų119.365%0.64568%0.675SS**THydrogen-bonded Turntrans-66.3-19.6-174.3-164.9166.7-61.5175.95.8114.3V332 P333V332-R337 PolarHBondContact O-NH2 3.11Å; P333-R337 PolarHBondContact O-N 3.26Å
338E49.6Very low52.9Low171 Ų171118.6 Ų118.680%0.79965%0.652SS**THydrogen-bonded Turntrans-1030.6179.9-63178.6-173.900112.4E336E336-E338 PolarHBondContact O-N 2.81Å
339A49.5Very low53.7Low89 Ų89117.7 Ų117.774%0.73665%0.653SS**SBendtrans-97.30.6-177.700000114.4E336E336-A339 PolarHBondContact O-N 3.21Å; E336-A339 VanDerWaalsContact O-N 3.14Å
340A42.4Very low54.6Low95 Ų95117 Ų11779%0.78564%0.637SS**SBendtrans-120.98.3-168.500000114.7
341S41Very low54.8Low79 Ų79118.5 Ų118.555%0.55262%0.621SS**SBendtrans-136.4116176.954.20000109.7
342E39.2Very low55.3Low158 Ų158117 Ų11774%0.73861%0.61SS**  trans63.1105.8170.5-60.9168.8-175.900112.7L344E342-L344 HydrophobicContact CB-CB 4.24Å; E342-L344 HydrophobicContact CB-CD1 3.73Å; E342-L344 HydrophobicContact CG-CD1 3.85Å; E342-L344 PolarHBondContact O-N 2.86Å
343E51.5Low55.3Low205 Ų205117 Ų11796%0.95861%0.614SS**  34.932.257.7-143.2-174.2166.900115
344L51.7Low55.3Low119 Ų119121.6 Ų121.662%0.62364%0.636SS**  trans-128.6115.3160.6-97.9105.5000112.1E342 L346E342-L344 HydrophobicContact CB-CB 4.24Å; E342-L344 HydrophobicContact CB-CD1 3.73Å; E342-L344 HydrophobicContact CG-CD1 3.85Å; E342-L344 PolarHBondContact O-N 2.86Å; L344-L346 PolarHBondContact O-N 2.88Å
345D49.1Very low55.6Low134 Ų134116.5 Ų116.572%0.71762%0.623SS**  trans53.158150.3-148.711.9000117.7A347D345-A347 PolarHBondContact O-N 3.47Å
346L52.3Low55.5Low178 Ų178112.2 Ų112.293%0.93262%0.616SS**THydrogen-bonded Turntrans-71.130.3170.9-130.376.9000114.1L344L344-L346 PolarHBondContact O-N 2.88Å
347A57.3Low56.1Low60 Ų60109.8 Ų109.850%0.49662%0.616SS.*THydrogen-bonded Turntrans-113.718.2175.900000112.7D345 P349D345-A347 PolarHBondContact O-N 3.47Å; A347-P349 WeakPolarHBondContact O-CD 3.45Å
348D63.3Low56.6Low68 Ų68104.5 Ų104.536%0.36461%0.606SS.*  trans-44.6114.9178.3170.225.5000111.1V350 F351 N352D348-V350 PolarHBondContact O-N 2.8Å; D348-V350 WeakPolarHBondContact OD1-CB 3.4Å; D348-V350 PolarHBondContact OD1-N 2.83Å; D348-F351 HydrophobicContact CB-CB 4.03Å; D348-F351 PolarHBondContact O-N 3.4Å; D348-F351 WeakPolarHBondContact OD2-CB 3.23Å; D348-F351 PolarHBondContact OD2-N 2.83Å; D348-N352 WeakPolarHBondContact O-CB 3.18Å; D348-N352 PolarHBondContact O-N 3.17Å; D348-N352 PolarHBondContact O-ND2 3.14Å
349P64.3Low57.8Low93 Ų9398.7 Ų98.760%0.60458%0.578SS**Hα-helixtrans-68.2-20.4-178.128.3-35.5000112.1A347 S353A347-P349 WeakPolarHBondContact O-CD 3.45Å; P349-S353 WeakPolarHBondContact O-CB 3.33Å; P349-S353 PolarHBondContact O-N 3.19Å; P349-S353 PolarHBondContact O-OG 3.14Å
350V63.4Low58.9Low90 Ų9099 Ų9955%0.54557%0.572SS.*Hα-helixtrans-75.9-52176.2-173.80000110.3D348 N352 S353 I354D348-V350 PolarHBondContact O-N 2.8Å; D348-V350 WeakPolarHBondContact OD1-CB 3.4Å; D348-V350 PolarHBondContact OD1-N 2.83Å; V350-N352 VanDerWaalsContact C-N 3.33Å; V350-N352 PolarHBondContact O-N 3.03Å; V350-S353 CarbonylContact O-C 3.43Å; V350-S353 WeakPolarHBondContact O-CA 3.43Å; V350-S353 WeakPolarHBondContact O-CB 3.35Å; V350-S353 PolarHBondContact O-N 3.11Å; V350-I354 HydrophobicContact CG1-CD1 4.16Å; V350-I354 WeakPolarHBondContact O-CG1 3.48Å; V350-I354 PolarHBondContact O-N 3.37Å
351F59.7Low60.2Low113 Ų113101.7 Ų101.750%0.49657%0.573SS.*Hα-helixtrans-57.4-44172.6-174.9-112.1000112.1D348 S353 I354 L355D348-F351 HydrophobicContact CB-CB 4.03Å; D348-F351 PolarHBondContact O-N 3.4Å; D348-F351 WeakPolarHBondContact OD2-CB 3.23Å; D348-F351 PolarHBondContact OD2-N 2.83Å; F351-S353 VanDerWaalsContact C-N 3.32Å; F351-S353 PolarHBondContact O-N 2.74Å; F351-I354 PolarHBondContact O-N 3.14Å; F351-I354 VanDerWaalsContact O-N 3.16Å; F351-L355 HydrophobicContact CD1-CD1 3.98Å; F351-L355 HydrophobicContact CE1-CD1 3.56Å; F351-L355 HydrophobicContact CE1-CG 4.36Å; F351-L355 HydrophobicContact CZ-CD1 3.91Å; F351-L355 HydrophobicContact CZ-CG 4.37Å; F351-L355 WeakPolarHBondContact O-CG 3.28Å; F351-L355 PolarHBondContact O-N 2.97Å
352N62.6Low61.7Low66 Ų66101.2 Ų101.235%0.35356%0.564SS.*Hα-helixtrans-63.9-34.6173.3-79.3-74.7000112.6D348 V350 T356D348-N352 WeakPolarHBondContact O-CB 3.18Å; D348-N352 PolarHBondContact O-N 3.17Å; D348-N352 PolarHBondContact O-ND2 3.14Å; V350-N352 VanDerWaalsContact C-N 3.33Å; V350-N352 PolarHBondContact O-N 3.03Å; N352-T356 WeakPolarHBondContact O-CA 3.37Å; N352-T356 WeakPolarHBondContact O-CB 3.41Å; N352-T356 PolarHBondContact O-N 3.21Å; N352-T356 PolarHBondContact O-OG1 3.19Å
353S65Low63.6Low78 Ų7897 Ų9755%0.54555%0.552SS.*Hα-helixtrans-71.5-29172.5-64.10000113.1P349 V350 F351 G357P349-S353 WeakPolarHBondContact O-CB 3.33Å; P349-S353 PolarHBondContact O-N 3.19Å; P349-S353 PolarHBondContact O-OG 3.14Å; V350-S353 CarbonylContact O-C 3.43Å; V350-S353 WeakPolarHBondContact O-CA 3.43Å; V350-S353 WeakPolarHBondContact O-CB 3.35Å; V350-S353 PolarHBondContact O-N 3.11Å; F351-S353 VanDerWaalsContact C-N 3.32Å; F351-S353 PolarHBondContact O-N 2.74Å; S353-G357 WeakPolarHBondContact O-CA 3.2Å; S353-G357 PolarHBondContact O-N 3.49Å
354I67.6Low65Low117 Ų11791.5 Ų91.560%0.653%0.533SS*.Hα-helixtrans-70.6-49.2174-70162.7000110.1V350 F351V350-I354 HydrophobicContact CG1-CD1 4.16Å; V350-I354 WeakPolarHBondContact O-CG1 3.48Å; V350-I354 PolarHBondContact O-N 3.37Å; F351-I354 PolarHBondContact O-N 3.14Å; F351-I354 VanDerWaalsContact O-N 3.16Å
355L64.9Low66.4Low96 Ų9688.7 Ų88.750%0.50353%0.528SS..Hα-helixtrans-63-52.4176.4-66.7178.2000111.2F351 S358F351-L355 HydrophobicContact CD1-CD1 3.98Å; F351-L355 HydrophobicContact CE1-CD1 3.56Å; F351-L355 HydrophobicContact CE1-CG 4.36Å; F351-L355 HydrophobicContact CZ-CD1 3.91Å; F351-L355 HydrophobicContact CZ-CG 4.37Å; F351-L355 WeakPolarHBondContact O-CG 3.28Å; F351-L355 PolarHBondContact O-N 2.97Å; L355-S358 PolarHBondContact O-OG 3.16Å
356T60.9Low68Low81 Ų8184.2 Ų84.250%0.49751%0.509SS..Hα-helixtrans-77.1-29.4-174-46.40000112.5N352 S358 F359 P360N352-T356 WeakPolarHBondContact O-CA 3.37Å; N352-T356 WeakPolarHBondContact O-CB 3.41Å; N352-T356 PolarHBondContact O-N 3.21Å; N352-T356 PolarHBondContact O-OG1 3.19Å; T356-S358 PolarHBondContact O-N 3.06Å; T356-F359 VanDerWaalsContact O-CB 3.32Å; T356-F359 WeakPolarHBondContact O-CB 3.14Å; T356-F359 PolarHBondContact O-N 3.47Å; T356-P360 WeakPolarHBondContact O-CD 3.5Å
357G67.6Low69.7Low44 Ų4478 Ų7845%0.45448%0.475SS..Hα-helixtrans-62.2-26.1178.400000113.5S353S353-G357 WeakPolarHBondContact O-CA 3.2Å; S353-G357 PolarHBondContact O-N 3.49Å
358S65.8Low70.9Confident61 Ų6183.2 Ų83.243%0.42748%0.482SS..THydrogen-bonded Turntrans-73.4-26.4170.375.60000113.5L355 T356 L361 L362L355-S358 PolarHBondContact O-OG 3.16Å; T356-S358 PolarHBondContact O-N 3.06Å; S358-L361 WeakPolarHBondContact O-CB 3.08Å; S358-L361 PolarHBondContact O-N 2.64Å; S358-L361 VanDerWaalsContact O-N 3.11Å; S358-L362 PolarHBondContact O-N 2.97Å
359F74.4Confident72.1Confident49 Ų4981.3 Ų81.322%0.21548%0.478CS..G310 helixtrans-69.3-42.8-167.6-172-97.1000114.1T356 L361 L362 Q367 F370 Q371T356-F359 VanDerWaalsContact O-CB 3.32Å; T356-F359 WeakPolarHBondContact O-CB 3.14Å; T356-F359 PolarHBondContact O-N 3.47Å; F359-L361 PolarHBondContact O-N 2.84Å; F359-L362 HydrophobicContact CD2-CD1 3.98Å; F359-L362 WeakPolarHBondContact O-CB 3.45Å; F359-L362 PolarHBondContact O-N 3.45Å; F359-Q367 HydrophobicContact CE1-CB 4.35Å; F359-Q367 HydrophobicContact CE1-CG 4.08Å; F359-Q367 HydrophobicContact CE2-CB 4.13Å; F359-Q367 HydrophobicContact CE2-CG 4.07Å; F359-Q367 HydrophobicContact CZ-CB 3.74Å; F359-Q367 HydrophobicContact CZ-CG 3.83Å; F359-Q367 PolarHBondContact O-NE2 3.28Å; F359-F370 HydrophobicContact CD2-CD1 4.13Å; F359-F370 HydrophobicContact CD2-CE1 4.45Å; F359-F370 HydrophobicContact CE2-CB 4.19Å; F359-F370 AromaticContact CE2-CD1 3.51Å; F359-F370 HydrophobicContact CE2-CD1 3.51Å; F359-F370 HydrophobicContact CE2-CE1 4.17Å; F359-F370 HydrophobicContact CE2-CG 4.11Å; F359-F370 HydrophobicContact CZ-CD1 4.35Å; F359-Q371 HydrophobicContact CZ-CG 4.47Å
360P72.5Confident73.1Confident94 Ų9480.9 Ų80.961%0.6147%0.467SS*.G310 helixtrans-60.4-24.6169.8-25.735.1000114.3T356T356-P360 WeakPolarHBondContact O-CD 3.5Å
361L69.9Low74.1Confident153 Ų15381.9 Ų81.980%0.80147%0.466SS*.G310 helixtrans-86.2-14.2-179.9-52.7178000112.7S358 F359S358-L361 WeakPolarHBondContact O-CB 3.08Å; S358-L361 PolarHBondContact O-N 2.64Å; S358-L361 VanDerWaalsContact O-N 3.11Å; F359-L361 PolarHBondContact O-N 2.84Å
362L73Confident75.1Confident69 Ų6978.8 Ų78.836%0.36146%0.461SS..SBendtrans-70.1144.5171.8-66.6-179.5000111S358 F359 A366 Q367S358-L362 PolarHBondContact O-N 2.97Å; F359-L362 HydrophobicContact CD2-CD1 3.98Å; F359-L362 WeakPolarHBondContact O-CB 3.45Å; F359-L362 PolarHBondContact O-N 3.45Å; L362-A366 HydrophobicContact CB-CB 4.12Å; L362-Q367 HydrophobicContact CB-CG 3.9Å; L362-Q367 PolarHBondContact O-NE2 2.85Å; L362-Q367 VanDerWaalsContact O-NE2 3.14Å
363S78.8Confident76.1Confident69 Ų6983.2 Ų83.248%0.48347%0.473SS..  trans-61.2152.5176.775.60000112.1A365 A366 Q367S363-A365 PolarHBondContact O-N 3.3Å; S363-A366 WeakPolarHBondContact O-CA 3.2Å; S363-A366 PolarHBondContact O-N 2.88Å; S363-A366 PolarHBondContact OG-N 3.17Å; S363-Q367 PolarHBondContact O-N 2.98Å
364P80.6Confident76.7Confident89 Ų8982.7 Ų82.758%0.57846%0.464SS*.Hα-helixtrans-59.6-14.8177.5-2735.8000114.8R368P364-R368 WeakPolarHBondContact O-CG 3.38Å; P364-R368 PolarHBondContact O-NE 2.86Å
365A81.7Confident77Confident61 Ų6181 Ų8150%0.50446%0.462SS..Hα-helixtrans-80.3-43.9169.100000111.9S363 G369S363-A365 PolarHBondContact O-N 3.3Å; A365-G369 PolarHBondContact O-N 3.05Å
366A82.5Confident77.5Confident39 Ų3985.8 Ų85.832%0.32247%0.474SS..Hα-helixtrans-66.7-40.7177.800000112.5L362 S363 G369 F370L362-A366 HydrophobicContact CB-CB 4.12Å; S363-A366 WeakPolarHBondContact O-CA 3.2Å; S363-A366 PolarHBondContact O-N 2.88Å; S363-A366 PolarHBondContact OG-N 3.17Å; A366-G369 PolarHBondContact O-N 2.71Å; A366-F370 WeakPolarHBondContact O-CB 3.45Å; A366-F370 PolarHBondContact O-N 2.88Å
367Q87.1Confident78Confident48 Ų4887.4 Ų87.422%0.22448%0.479CS..Hα-helixtrans-58.4-50.7174.6-69.4173.6-15.100111.9F359 L362 S363 G369 F370 Q371F359-Q367 HydrophobicContact CE1-CB 4.35Å; F359-Q367 HydrophobicContact CE1-CG 4.08Å; F359-Q367 HydrophobicContact CE2-CB 4.13Å; F359-Q367 HydrophobicContact CE2-CG 4.07Å; F359-Q367 HydrophobicContact CZ-CB 3.74Å; F359-Q367 HydrophobicContact CZ-CG 3.83Å; F359-Q367 PolarHBondContact O-NE2 3.28Å; L362-Q367 HydrophobicContact CB-CG 3.9Å; L362-Q367 PolarHBondContact O-NE2 2.85Å; L362-Q367 VanDerWaalsContact O-NE2 3.14Å; S363-Q367 PolarHBondContact O-N 2.98Å; Q367-G369 VanDerWaalsContact C-N 3.35Å; Q367-G369 PolarHBondContact O-N 3.23Å; Q367-F370 PolarHBondContact O-N 2.8Å; Q367-Q371 PolarHBondContact O-N 2.88Å
368R84.4Confident78Confident170 Ų17091.5 Ų91.564%0.64249%0.486SS*.Hα-helixtrans-62.4-40.3175.4-74.7-178.1-67.4150.5-0.7112.1P364 F370 Q371 A372P364-R368 WeakPolarHBondContact O-CG 3.38Å; P364-R368 PolarHBondContact O-NE 2.86Å; R368-F370 VanDerWaalsContact C-N 3.29Å; R368-F370 PolarHBondContact O-N 2.76Å; R368-Q371 PolarHBondContact O-N 3.28Å; R368-A372 VanDerWaalsContact O-CB 3.25Å; R368-A372 WeakPolarHBondContact O-CB 3.46Å; R368-A372 PolarHBondContact O-N 2.93Å
369G88.4Confident77.4Confident27 Ų2791.4 Ų91.428%0.27849%0.494SS..Hα-helixtrans-63.3-32.1175.100000113.6A365 A366 Q367 R373A365-G369 PolarHBondContact O-N 3.05Å; A366-G369 PolarHBondContact O-N 2.71Å; Q367-G369 VanDerWaalsContact C-N 3.35Å; Q367-G369 PolarHBondContact O-N 3.23Å; G369-R373 WeakPolarHBondContact O-CG 3.5Å; G369-R373 PolarHBondContact O-N 3.31Å; G369-R373 PolarHBondContact O-NE 3.02Å
370F84.5Confident76.5Confident85 Ų8595.7 Ų95.737%0.37352%0.519SS..Hα-helixtrans-73-50.1173.5178.2-98.1000111.9F359 A366 Q367 R368 A372 R373 L374F359-F370 HydrophobicContact CD2-CD1 4.13Å; F359-F370 HydrophobicContact CD2-CE1 4.45Å; F359-F370 HydrophobicContact CE2-CB 4.19Å; F359-F370 AromaticContact CE2-CD1 3.51Å; F359-F370 HydrophobicContact CE2-CD1 3.51Å; F359-F370 HydrophobicContact CE2-CE1 4.17Å; F359-F370 HydrophobicContact CE2-CG 4.11Å; F359-F370 HydrophobicContact CZ-CD1 4.35Å; A366-F370 WeakPolarHBondContact O-CB 3.45Å; A366-F370 PolarHBondContact O-N 2.88Å; Q367-F370 PolarHBondContact O-N 2.8Å; R368-F370 VanDerWaalsContact C-N 3.29Å; R368-F370 PolarHBondContact O-N 2.76Å; F370-A372 VanDerWaalsContact C-N 3.32Å; F370-A372 PolarHBondContact O-N 2.85Å; F370-R373 WeakPolarHBondContact O-CB 3.36Å; F370-R373 PolarHBondContact O-N 2.96Å; F370-L374 HydrophobicContact CD1-CD1 4.01Å; F370-L374 HydrophobicContact CD1-CG 4.45Å; F370-L374 HydrophobicContact CE1-CD1 3.43Å; F370-L374 VanDerWaalsContact CE1-CD1 3.43Å; F370-L374 HydrophobicContact CE1-CG 4.1Å; F370-L374 HydrophobicContact CZ-CD1 3.88Å; F370-L374 HydrophobicContact CZ-CD2 4.42Å; F370-L374 HydrophobicContact CZ-CG 4.25Å; F370-L374 PolarHBondContact O-N 3.32Å
371Q83.9Confident75.2Confident111 Ų11199.2 Ų99.252%0.51953%0.528SS..Hα-helixtrans-57.4-44.3175.9-72.3-178-11.200111.8F359 Q367 R368 R373 L374 S375F359-Q371 HydrophobicContact CZ-CG 4.47Å; Q367-Q371 PolarHBondContact O-N 2.88Å; R368-Q371 PolarHBondContact O-N 3.28Å; Q371-R373 PolarHBondContact O-N 2.94Å; Q371-R373 VanDerWaalsContact O-N 3.16Å; Q371-L374 PolarHBondContact O-N 3.06Å; Q371-L374 VanDerWaalsContact O-N 3.08Å; Q371-S375 PolarHBondContact O-N 3.19Å; Q371-S375 PolarHBondContact O-OG 2.88Å; Q371-S375 VanDerWaalsContact O-OG 3.12Å
372A80.4Confident74.4Confident48 Ų48100.7 Ų100.740%0.39753%0.531SS..Hα-helixtrans-64.1-18.7177.300000114.3R368 F370 R376R368-A372 VanDerWaalsContact O-CB 3.25Å; R368-A372 WeakPolarHBondContact O-CB 3.46Å; R368-A372 PolarHBondContact O-N 2.93Å; F370-A372 VanDerWaalsContact C-N 3.32Å; F370-A372 PolarHBondContact O-N 2.85Å; A372-R376 VanDerWaalsContact O-CD 3.27Å; A372-R376 WeakPolarHBondContact O-CD 3.33Å; A372-R376 VanDerWaalsContact O-CG 3.28Å; A372-R376 WeakPolarHBondContact O-CG 3.43Å; A372-R376 PolarHBondContact O-NE 2.81Å
373R84.3Confident72.6Confident158 Ų158100.8 Ų100.860%0.59655%0.548SS*.Hα-helixtrans-83.2-42.6169.4-71.9-178.8-60.6-112.14.6111.5G369 F370 Q371 S375 R376 L377G369-R373 WeakPolarHBondContact O-CG 3.5Å; G369-R373 PolarHBondContact O-N 3.31Å; G369-R373 PolarHBondContact O-NE 3.02Å; F370-R373 WeakPolarHBondContact O-CB 3.36Å; F370-R373 PolarHBondContact O-N 2.96Å; Q371-R373 PolarHBondContact O-N 2.94Å; Q371-R373 VanDerWaalsContact O-N 3.16Å; R373-S375 PolarHBondContact O-N 2.9Å; R373-R376 PolarHBondContact O-N 3.44Å; R373-L377 PolarHBondContact O-N 2.99Å
374L77.8Confident70.6Confident68 Ų68103.4 Ų103.436%0.35657%0.566SS.*Hα-helixtrans-60.6-43.2174.5-68.1-177.6000112.2F370 Q371 R376 L377 H378F370-L374 HydrophobicContact CD1-CD1 4.01Å; F370-L374 HydrophobicContact CD1-CG 4.45Å; F370-L374 HydrophobicContact CE1-CD1 3.43Å; F370-L374 VanDerWaalsContact CE1-CD1 3.43Å; F370-L374 HydrophobicContact CE1-CG 4.1Å; F370-L374 HydrophobicContact CZ-CD1 3.88Å; F370-L374 HydrophobicContact CZ-CD2 4.42Å; F370-L374 HydrophobicContact CZ-CG 4.25Å; F370-L374 PolarHBondContact O-N 3.32Å; Q371-L374 PolarHBondContact O-N 3.06Å; Q371-L374 VanDerWaalsContact O-N 3.08Å; L374-R376 PolarHBondContact O-N 3.37Å; L374-L377 WeakPolarHBondContact O-CB 2.99Å; L374-L377 PolarHBondContact O-N 3.42Å; L374-L377 VanDerWaalsContact O-N 3.12Å; L374-H378 PolarHBondContact O-CD2 3.08Å; L374-H378 PolarHBondContact O-N 3.48Å
375S73.7Confident68.5Low82 Ų82108.7 Ų108.757%0.57358%0.583SS**Hα-helixtrans-60.1-33175.7-54.80000112.9Q371 R373 G379Q371-S375 PolarHBondContact O-N 3.19Å; Q371-S375 PolarHBondContact O-OG 2.88Å; Q371-S375 VanDerWaalsContact O-OG 3.12Å; R373-S375 PolarHBondContact O-N 2.9Å; S375-G379 PolarHBondContact O-N 3.16Å
376R76Confident66.3Low195 Ų195109.9 Ų109.974%0.73660%0.602SS**Hα-helixtrans-73.9-37.3175.2-70.9169.3-175-85.9-1.6112.1A372 R373 L374 N380A372-R376 VanDerWaalsContact O-CD 3.27Å; A372-R376 WeakPolarHBondContact O-CD 3.33Å; A372-R376 VanDerWaalsContact O-CG 3.28Å; A372-R376 WeakPolarHBondContact O-CG 3.43Å; A372-R376 PolarHBondContact O-NE 2.81Å; R373-R376 PolarHBondContact O-N 3.44Å; L374-R376 PolarHBondContact O-N 3.37Å; R376-N380 PolarHBondContact O-N 3.47Å
377L71.5Confident63.8Low116 Ų116111.7 Ų111.761%0.60762%0.624SS**Hα-helixtrans-64.1-46.7174.9-174.764.2000111.1R373 L374 N380R373-L377 PolarHBondContact O-N 2.99Å; L374-L377 WeakPolarHBondContact O-CB 2.99Å; L374-L377 PolarHBondContact O-N 3.42Å; L374-L377 VanDerWaalsContact O-N 3.12Å; L377-N380 PolarHBondContact O-N 2.89Å
378H66.2Low61.4Low130 Ų130117.6 Ų117.660%0.60266%0.656SS**Hα-helixtrans-72.8-31.4-179.6-64.7-167.1000112.4L374 N380 Q381L374-H378 PolarHBondContact O-CD2 3.08Å; L374-H378 PolarHBondContact O-N 3.48Å; H378-N380 PolarHBondContact O-N 3.12Å; H378-Q381 PolarHBondContact O-N 3.48Å
379G53.9Low59.8Low58 Ų58115.6 Ų115.660%0.59867%0.665SS**THydrogen-bonded Turntrans-67.1-12.917400000114.6S375S375-G379 PolarHBondContact O-N 3.16Å
380N54.5Low56.8Low139 Ų139118 Ų11874%0.74369%0.689SS**THydrogen-bonded Turntrans-956.2-178.7-135.975.2000113.6R376 L377 H378R376-N380 PolarHBondContact O-N 3.47Å; L377-N380 PolarHBondContact O-N 2.89Å; H378-N380 PolarHBondContact O-N 3.12Å
381Q46.4Very low54.3Low168 Ų168119.4 Ų119.479%0.78571%0.71SS**SBendtrans-103.916.2-178.6-71.1-77.1100.500113.4H378H378-Q381 PolarHBondContact O-N 3.48Å
382Q51.9Low51.8Low185 Ų185119.6 Ų119.686%0.86472%0.724SS**  trans-125.2108.4177-68.3-171.82.600110.8
383G37.3Very low49.4Very low71 Ų71120.8 Ų120.873%0.73274%0.74SS**  trans129.3105.5-170.100000109.6
384S36.6Very low47.1Very low123 Ų123123.2 Ų123.286%0.8676%0.759SS**  cis-149.2140.319.4-57.90000112.7
385E34.8Very low44.8Very low201 Ų201123.7 Ų123.794%0.93978%0.78SS**  trans-148.3143.9138.7-86.2-120.2158.700107.2
386G37Very low42.6Very low86 Ų86128 Ų12889%0.88779%0.788SS**  trans-118.7109.2-168.900000113.3
387G29.8Very low40.5Very low77 Ų77123.2 Ų123.279%0.79479%0.785SS**  trans-152.4123.8175.400000112.4
388L36.6Very low38.7Very low172 Ų172124.6 Ų124.690%0.90179%0.789SS**  trans-107.8173.1178.2-63.7174.6000110
389P49.8Very low37.1Very low128 Ų128129.6 Ų129.683%0.83180%0.802SS**  cis-128.5173.5-21.927.9-7.7000113.4
390G26.9Very low36.1Very low76 Ų76134 Ų13478%0.78481%0.811SS**  trans-176.4142.5166.300000115.8
391S31.1Very low34.9Very low115 Ų115132.2 Ų132.280%0.80481%0.81SS**  trans29.4111.3169.2-71.90000120
392S31.5Very low34.2Very low116 Ų116133.6 Ų133.681%0.81182%0.816SS**  70.8114.662.379.60000115.7
393G30.2Very low33.1Very low72 Ų72132.1 Ų132.174%0.74281%0.814SS**  trans154.174.915900000119.7
394Q35.7Very low33.4Very low210 Ų210132.7 Ų132.798%0.98181%0.805SS**  trans61.5155.2151.1-60.8178.5-13.400119
395G30.3Very low33.1Very low78 Ų78135.2 Ų135.280%0.80480%0.803SS**  cis-148.8170.42.500000113.3
396F27.8Very low32.9Very low171 Ų171132.8 Ų132.875%0.7579%0.791SS**  trans-125.9144.3-171.1146.8-81.5000111.4E398F396-E398 HydrophobicContact CE2-CB 3.97Å; F396-E398 HydrophobicContact CZ-CB 4.09Å; F396-E398 WeakPolarHBondContact CZ-OE2 3.46Å
397S31.5Very low33.3Very low96 Ų96133.2 Ų133.267%0.67178%0.779SS**  trans149.6110.7157.1175.50000106.7
398E33.3Very low33.4Very low145 Ų145139.2 Ų139.268%0.67878%0.777SS**  cis74.5104.143.7-164.9-176.1-118.900113.9F396F396-E398 HydrophobicContact CE2-CB 3.97Å; F396-E398 HydrophobicContact CZ-CB 4.09Å; F396-E398 WeakPolarHBondContact CZ-OE2 3.46Å
399R33Very low33.1Very low235 Ų235139.7 Ų139.789%0.88777%0.773SS**  trans-144.392.9155-74.2-161.2179.5-149.5-2.2112
400L32.1Very low32.1Very low151 Ų151139.8 Ų139.879%0.79177%0.766SS**  trans51.9112133.2-67.5159.1000120.3
401S29.1Very low32.1Very low101 Ų101141.3 Ų141.371%0.70676%0.76SS**  66.1110.7127-51.10000120.3
402Q31.9Very low31.9Very low196 Ų196141.3 Ų141.392%0.91676%0.76SS**  -159.1147.183.4-98.1176.4-14.200111.9
403D28Very low31.9Very low155 Ų155140.8 Ų140.883%0.82976%0.756SS**  trans-141.8170.8-177.1-155.339.7000105.5
404P44.5Very low31.8Very low82 Ų82146.9 Ų146.953%0.53276%0.757SS.*  cis-134.5172.65.541.3-23.8000116.5
405H30.1Very low31.8Very low177 Ų177146.5 Ų146.582%0.81975%0.747SS**  170.992.5119-91.7-61.8000115
406E31.6Very low31.8Very low149 Ų149149.8 Ų149.870%0.69675%0.746SS**  trans-92.8-170146.1-80.5-76167.900107.9
407P44.7Very low32.1Very low96 Ų96151.1 Ų151.162%0.62375%0.754SS**  cis-143164.54.537.1-15.1000119.8
408W31.5Very low32.1Very low203 Ų203149.9 Ų149.977%0.76976%0.757SS**  trans36.4159.8139.1-73.6-59.4000127.3
409F31.1Very low32.1Very low182 Ų182152.5 Ų152.580%0.79877%0.769SS**  trans89.5161153.7-55.3-74.2000120
410N27.3Very low32Very low129 Ų129149.2 Ų149.269%0.6977%0.768SS**  -164.5162.3-56.6-149.7-0000111.1
411T28.9Very low31.7Very low109 Ų109150.4 Ų150.467%0.66977%0.769SS**  trans24.8127.4153.950.60000122.3
412S25.8Very low31.6Very low115 Ų115155.4 Ų155.480%0.80477%0.773SS**  160.2155.1117.7-77.80000117.9
413S30.8Very low31.6Very low104 Ų104152 Ų15273%0.72776%0.761SS**  trans64.4131.4153.7-150.90000119.6
414R29.7Very low32.9Very low201 Ų201149.1 Ų149.176%0.75875%0.751SS**  cis88.286.515.1-157.8-145.2-169.9-141.51.8118.3
415R35.2Very low32.3Very low201 Ų201155.9 Ų155.976%0.75877%0.765SS**  172.1154.7125.5-101.7166-77.8-167-1.7115.2
416D28.9Very low32.7Very low147 Ų147154 Ų15479%0.78677%0.767SS**  trans-58.1156166.2-53.5-111.9000114.4
417H35Very low32.6Very low199 Ų199152.2 Ų152.292%0.92176%0.762SS**  trans-153.6122.6132.2-116.8-79.9000110.2
418G32.5Very low32.2Very low71 Ų71158.4 Ų158.473%0.73277%0.773SS**  trans-101.3162.517500000112.9
419Q32.3Very low32.4Very low200 Ų200152.3 Ų152.394%0.93577%0.773SS**  trans-144.5161162.7-126.8-177.941.100111.1
420L31Very low32.8Very low165 Ų165152.2 Ų152.286%0.86478%0.775SS**  trans-124.3146-158.8-58.7161.2000111.5
421H25.2Very low33.6Very low176 Ų176155.5 Ų155.582%0.81578%0.778SS**  trans-154.7150.3153-153.4-88.3000114.5
422W26.8Very low34.2Very low206 Ų206160.3 Ų160.378%0.7878%0.783SS**  trans-71.8174.1-173.9-4487.5000114.4
423D32.2Very low34.6Very low125 Ų125160 Ų16067%0.66878%0.781SS**  cis-159.2172.117.2-153.943.6000111.5
424P55Low34.7Very low95 Ų95160.8 Ų160.862%0.61779%0.785SS**  trans-112.2-158.9-171.243.1-35.1000116.4
425R33.6Very low34.9Very low223 Ų223156.6 Ų156.684%0.84279%0.787SS**  trans98.5142.3-176.3-52.8149.7-171.1-94.21.1111.7
426T37.6Very low35.2Very low139 Ų139152.9 Ų152.985%0.85379%0.786SS**  cis-153.2-172.329.343.50000109.9
427D29.9Very low35.8Very low110 Ų110154.7 Ų154.759%0.58879%0.787SS**  cis-170158.2-40.6178.124.7000107.9
428R36.1Very low36.3Very low227 Ų227151.5 Ų151.586%0.85778%0.782SS**  trans65.1154.2177.4-62.4144.9-145.8-1616115.5
429G34.9Very low36.5Very low75 Ų75152.9 Ų152.977%0.77379%0.786SS**  cis148.5155.15.200000108.2
430H39.9Very low36.7Very low180 Ų180149 Ų14983%0.83378%0.781SS**  cis-156.9-178.14.3175.753.2000109.8R432H430-R432 PolarHBondContact CD2-NH2 3.43Å
431R43.4Very low37.4Very low198 Ų198152.9 Ų152.975%0.74778%0.784SS**  trans-106.6157.2-167.5-53.3-179.1-176.3-835.2115.5
432R43.4Very low38.3Very low210 Ų210153.6 Ų153.679%0.79279%0.788SS**  trans168.4147.3131.8-92160.3-87.3-162.3-1.9109.1H430H430-R432 PolarHBondContact CD2-NH2 3.43Å
433S34Very low39.2Very low107 Ų107150.4 Ų150.475%0.74879%0.791SS**  cis119.6111.77.3-71.10000113.3
434C31.8Very low39.8Very low122 Ų122150.4 Ų150.482%0.82480%0.801SS**  trans-19.1150.3169.556.50000123.9
435S34.9Very low39.2Very low112 Ų112149.4 Ų149.478%0.78381%0.808SS**  trans-179.2119.5134.6-168.20000110.4
436V40.1Very low39.7Very low123 Ų123147.5 Ų147.575%0.74581%0.808SS**  95.6144.362.7-168.50000114
437K42.5Very low40.3Very low185 Ų185149 Ų14980%0.80481%0.81SS**  trans86.4157.2171.7-53.7-168.5-179.4176.20118.1
438T44.7Very low41.1Very low133 Ų133146.5 Ų146.582%0.81681%0.811SS**  158.1115-52.646.70000110.7
439A38.2Very low41.6Very low99 Ų99141 Ų14182%0.81881%0.807SS**  trans-161.1137.5158.400000107.1
440S36.6Very low42.4Very low119 Ų119144.5 Ų144.583%0.83281%0.807SS**  cis83.596.126.1-160.60000115.5
441R45.3Very low42.8Very low247 Ų247141.6 Ų141.693%0.93281%0.806SS**  trans-158.7141.5150.3-106.2176-172.2-83.6-1.8108.9
442Q44.5Very low43.2Very low190 Ų190138.3 Ų138.389%0.88881%0.808SS**  trans-112.8148.8173.2-67.8-177.9-10.900109.9
443T45.6Very low43.3Very low140 Ų140131 Ų13186%0.85980%0.798SS**  trans-140.7138.8156.345.30000110.9
444S43.9Very low44.1Very low125 Ų125133.5 Ų133.587%0.87480%0.803SS**  trans-24.9138.8172.149.90000119.1
445G42.9Very low44.9Very low74 Ų74134.6 Ų134.676%0.76380%0.799SS**  trans-169.353170.400000113.7L447G445-L447 PolarHBondContact O-N 2.92Å
446H43.9Very low45.6Very low182 Ų182138 Ų13884%0.84380%0.8SS**  trans-74.8115-177.7174.889.9000111.9
447L49.5Very low46Very low170 Ų170143.3 Ų143.389%0.8981%0.806SS**  trans-138.7110.4171.6-71.9176.7000112G445G445-L447 PolarHBondContact O-N 2.92Å
448G46.1Very low46.3Very low59 Ų59145.5 Ų145.561%0.60881%0.81SS**  trans59.964.7141.600000119.3L450G448-L450 PolarHBondContact O-N 3.12Å
449S48.4Very low46.8Very low110 Ų110150.5 Ų150.577%0.76981%0.813SS**  trans-74.672.5160.3-178.20000110.9C451S449-C451 PolarHBondContact O-N 3.27Å
450L49.8Very low47.4Very low150 Ų150155.4 Ų155.479%0.78582%0.816SS**  trans-79105.3172.6-75.4176.2000110.6G448 T452G448-L450 PolarHBondContact O-N 3.12Å; L450-T452 PolarHBondContact O-N 3.31Å
451C48.8Very low48.2Very low119 Ų119153.8 Ų153.880%0.80481%0.81SS**  trans-75.163.7-178.7-580000113.1S449 G453S449-C451 PolarHBondContact O-N 3.27Å; C451-G453 PolarHBondContact O-N 3.14Å
452T52.6Low48.2Very low128 Ų128146 Ų14679%0.78580%0.798SS**  trans-78.7103.716552.90000109.1L450L450-T452 PolarHBondContact O-N 3.31Å
453G46.2Very low48.4Very low56 Ų56142.6 Ų142.658%0.57779%0.793SS**  trans-70.8-175.5-164.400000116.9C451 I455C451-G453 PolarHBondContact O-N 3.14Å; G453-I455 VanDerWaalsContact O-CD1 3.26Å; G453-I455 WeakPolarHBondContact O-CD1 3.32Å; G453-I455 PolarHBondContact O-N 2.86Å
454D49.8Very low48.8Very low160 Ų160144.4 Ų144.486%0.85680%0.796SS**  trans-6483.7-178.9-79.5-84.2000114K456D454-K456 PolarHBondContact O-N 3.24Å
455I49.2Very low48.9Very low146 Ų146141.4 Ų141.475%0.74979%0.785SS**  trans-65.783.3149.2-60.376.4000106.8G453 R457G453-I455 VanDerWaalsContact O-CD1 3.26Å; G453-I455 WeakPolarHBondContact O-CD1 3.32Å; G453-I455 PolarHBondContact O-N 2.86Å; I455-R457 PolarHBondContact O-N 3.33Å
456K49Very low49.1Very low182 Ų182144.4 Ų144.479%0.79179%0.789SS**  trans-42.2120.2159.7-87.1173.1175.3165.60106.7D454 R458D454-K456 PolarHBondContact O-N 3.24Å; K456-R458 PolarHBondContact O-N 3.06Å
457R48.7Very low49.5Very low235 Ų235139.1 Ų139.189%0.88778%0.783SS**  trans-63.282.5177.9-69-175.7-64.1-86.1-2.6109.6I455 R459I455-R457 PolarHBondContact O-N 3.33Å; R457-R459 VanDerWaalsContact C-N 3.34Å; R457-R459 PolarHBondContact O-N 3.36Å
458R47.8Very low49.8Very low232 Ų232136.4 Ų136.488%0.87577%0.774SS**  trans-55.4103.6167-177.3178.5-171.2-116.52.5104.8K456 K460K456-R458 PolarHBondContact O-N 3.06Å; R458-K460 PolarHBondContact O-N 2.84Å
459R56.1Low50.3Low237 Ų237138.6 Ų138.689%0.89478%0.777SS**  trans-52.2109.4177.8-77.5179.8-77153.8-3.1106R457 A461R457-R459 VanDerWaalsContact C-N 3.34Å; R457-R459 PolarHBondContact O-N 3.36Å; R459-A461 VanDerWaalsContact C-N 3.33Å; R459-A461 PolarHBondContact O-N 2.75Å
460K50.8Low51Low203 Ų203136 Ų13688%0.88376%0.76SS**  trans-60.6105.1173.6-172.7169.4-179.6176.90104.1R458 A462R458-K460 PolarHBondContact O-N 2.84Å; K460-A462 PolarHBondContact O-N 3.18Å
461A53.6Low52Low85 Ų85130.4 Ų130.470%0.70274%0.737SS**PPolyproline II helixtrans-53.1141.2177.200000107R459R459-A461 VanDerWaalsContact C-N 3.33Å; R459-A461 PolarHBondContact O-N 2.75Å
462A45.5Very low53.5Low82 Ų82126.5 Ų126.568%0.67871%0.71SS**PPolyproline II helixtrans-52.7143.7167.400000107.6K460 L464K460-A462 PolarHBondContact O-N 3.18Å; A462-L464 PolarHBondContact O-N 3.11Å
463P48.9Very low54.8Low120 Ų120124.5 Ų124.578%0.77970%0.697SS**PPolyproline II helixtrans-47.6137.4169.4-24.934.1000108.7G465P463-G465 PolarHBondContact O-N 3.2Å
464L54.1Low56.3Low177 Ų177124.2 Ų124.293%0.92770%0.695SS**  trans-64.989166.8-72.4169.8000106.1A462 T466A462-L464 PolarHBondContact O-N 3.11Å; L464-T466 PolarHBondContact O-N 3.12Å
465G45.3Very low57.7Low62 Ų62122.7 Ų122.764%0.63968%0.682SS**  trans-55126.5174.700000107.1P463 G467P463-G465 PolarHBondContact O-N 3.2Å; G465-G467 PolarHBondContact O-N 3.34Å
466T47.5Very low59.1Low137 Ų137123.2 Ų123.284%0.8469%0.687SS**  trans-43.1114178.641.20000108.8L464 V468L464-T466 PolarHBondContact O-N 3.12Å; T466-V468 PolarHBondContact O-N 3.41Å
467G51.2Low60.6Low71 Ų71118 Ų11873%0.73268%0.677SS**  trans-62.4103.7-169.600000109.9G465 P469G465-G467 PolarHBondContact O-N 3.34Å; G467-P469 WeakPolarHBondContact O-CD 3.31Å
468V56Low62.1Low113 Ų113111 Ų11169%0.68567%0.669SS**  trans-55.7120.9159.5-178.50000105T466T466-V468 PolarHBondContact O-N 3.41Å
469P56.5Low63.8Low105 Ų105105.6 Ų105.668%0.68267%0.665SS**  trans-58.8150.7-178.524.2-33.4000109.6G467 G471G467-P469 WeakPolarHBondContact O-CD 3.31Å; P469-G471 PolarHBondContact O-N 3.11Å
470S63.2Low65.3Low57 Ų57100 Ų10040%0.39965%0.652SS.*  trans-71.959.2175.71770000110.7Q516S470-Q516 PolarHBondContact OG-O 3.43Å; S470-Q516 VanDerWaalsContact OG-O 3.14Å
471G71.7Confident67.1Low31 Ų3194 Ų9432%0.3263%0.633SS.*PPolyproline II helixtrans-70.4164-173.800000113.1P469 V473 Q516P469-G471 PolarHBondContact O-N 3.11Å; G471-V473 PolarHBondContact O-N 3.02Å; G471-Q516 PolarHBondContact O-N 3.39Å
472V79.7Confident68.8Low37 Ų3794.5 Ų94.522%0.22462%0.624CS.*EExtended strand (participates in β ladder)trans-74.4121171.4173.50000108.5G474 E475 R513 A514 T515V472-G474 PolarHBondContact O-N 3.49Å; V472-E475 HydrophobicContact CB-CB 3.99Å; V472-E475 HydrophobicContact CB-CG 4.42Å; V472-E475 HydrophobicContact CG1-CB 4.12Å; V472-E475 WeakPolarHBondContact O-CB 3.23Å; V472-E475 PolarHBondContact O-N 2.81Å; V472-R513 HydrophobicContact CG1-CB 3.79Å; V472-R513 HydrophobicContact CG1-CG 4.33Å; V472-R513 HydrophobicContact CG2-CB 4.15Å; V472-A514 CarbonylContact C-O 3.57Å; V472-A514 WeakPolarHBondContact CA-O 3.34Å; V472-T515 HydrophobicContact CG2-CG2 4.11Å
473V80.4Confident71Confident86 Ų8695.4 Ų95.452%0.52162%0.621SS.*EExtended strand (participates in β ladder)trans-64.1122176.5-179.70000108.4G471 A514 Q516G471-V473 PolarHBondContact O-N 3.02Å; V473-A514 HydrophobicContact CB-CB 4.49Å; V473-A514 WeakPolarHBondContact CB-O 3.2Å; V473-A514 PolarHBondContact N-O 3.17Å; V473-Q516 HydrophobicContact CG2-CB 3.89Å
474G77.3Confident73.2Confident51 Ų5193.3 Ų93.353%0.52660%0.603SS.*THydrogen-bonded Turntrans80.910.7178.800000115.4V472 N476 A477V472-G474 PolarHBondContact O-N 3.49Å; G474-N476 PolarHBondContact O-N 3.3Å; G474-N476 VanDerWaalsContact O-N 3.07Å; G474-A477 VanDerWaalsContact O-CB 3.23Å; G474-A477 WeakPolarHBondContact O-CB 3.4Å; G474-A477 PolarHBondContact O-N 3.32Å
475E78.8Confident75.1Confident127 Ų12792 Ų9259%0.59359%0.594SS**THydrogen-bonded Turntrans-54.5-28.7179.7-172.3166.2-149.800114.5V472V472-E475 HydrophobicContact CB-CB 3.99Å; V472-E475 HydrophobicContact CB-CG 4.42Å; V472-E475 HydrophobicContact CG1-CB 4.12Å; V472-E475 WeakPolarHBondContact O-CB 3.23Å; V472-E475 PolarHBondContact O-N 2.81Å
476N78.5Confident77.3Confident158 Ų15890.5 Ų90.585%0.84558%0.579SS**THydrogen-bonded Turntrans-112.720.3177.1-65.9-95.1000112.3G474G474-N476 PolarHBondContact O-N 3.3Å; G474-N476 VanDerWaalsContact O-N 3.07Å
477A81.1Confident79.4Confident71 Ų7184.3 Ų84.359%0.58754%0.541SS*.PPolyproline II helixtrans-75.4136.6174.600000110.4G474G474-A477 VanDerWaalsContact O-CB 3.23Å; G474-A477 WeakPolarHBondContact O-CB 3.4Å; G474-A477 PolarHBondContact O-N 3.32Å
478A81.1Confident81.4Confident88 Ų8887.5 Ų87.573%0.72753%0.531SS*.PPolyproline II helixtrans-64.3146.6170.800000110.5
479P83.3Confident83.1Confident120 Ų12088.3 Ų88.378%0.77953%0.529SS*.PPolyproline II helixtrans-52.7147.4170.3-21.628.9000112.4
480I86.5Confident84.7Confident120 Ų12086.9 Ų86.962%0.61552%0.515SS*.PPolyproline II helixtrans-63.1123.3174.4-65.3164.4000108N484I480-N484 HydrophobicContact CG2-CB 3.54Å
481P89.4Confident85.9Confident76 Ų7687.3 Ų87.349%0.49451%0.511SS..PPolyproline II helixtrans-74.1149.8-175.930.2-36000111.6T483 N484 S487P481-T483 PolarHBondContact O-N 3.43Å; P481-N484 VanDerWaalsContact O-CB 3.22Å; P481-N484 WeakPolarHBondContact O-CB 3.41Å; P481-N484 PolarHBondContact O-N 2.98Å; P481-S487 PolarHBondContact O-OG 3.45Å; P481-S487 VanDerWaalsContact O-OG 3.1Å
482D88.4Confident86.8Confident95 Ų9590.4 Ų90.451%0.50853%0.528SS..THydrogen-bonded Turntrans-62.3-6.3180-52.7-76.3000114.7N484 R488 Q491D482-N484 VanDerWaalsContact C-N 3.32Å; D482-R488 WeakPolarHBondContact O-CG 3.45Å; D482-R488 PolarHBondContact O-NE 3.34Å; D482-Q491 PolarHBondContact OD1-NE2 2.66Å
483T93.2Very high87.2Confident102 Ų10296.4 Ų96.463%0.62656%0.556SS**THydrogen-bonded Turntrans-77.7-15.8169.753.40000113.5P481P481-T483 PolarHBondContact O-N 3.43Å
484N93.8Very high87.4Confident75 Ų7595.3 Ų95.340%0.40156%0.562SS.*SBendtrans-70.6143.6179.8-167.6-68.9000111.2I480 P481 D482 G486 S487 R488I480-N484 HydrophobicContact CG2-CB 3.54Å; P481-N484 VanDerWaalsContact O-CB 3.22Å; P481-N484 WeakPolarHBondContact O-CB 3.41Å; P481-N484 PolarHBondContact O-N 2.98Å; D482-N484 VanDerWaalsContact C-N 3.32Å; N484-G486 VanDerWaalsContact C-N 3.33Å; N484-G486 PolarHBondContact O-N 3.25Å; N484-G486 PolarHBondContact OD1-N 3.5Å; N484-S487 PolarHBondContact O-OG 2.83Å; N484-R488 VanDerWaalsContact O-CG 3.31Å; N484-R488 WeakPolarHBondContact O-CG 3.32Å; N484-R488 PolarHBondContact O-N 3.18Å
485M93.9Very high87.8Confident150 Ų15096.2 Ų96.274%0.73955%0.549SS*.Hα-helixtrans-64.7-38.8178.1-63.4-174.6-67.700111.7R488 M489M485-R488 PolarHBondContact O-N 2.89Å; M485-M489 WeakPolarHBondContact O-CB 3.47Å; M485-M489 VanDerWaalsContact O-CG 3.24Å; M485-M489 WeakPolarHBondContact O-CG 3.37Å; M485-M489 PolarHBondContact O-N 2.88Å
486G92.2Very high88.1Confident31 Ų3192.3 Ų92.332%0.3254%0.536SS..Hα-helixtrans-66.1-42179.100000113.5N484 M489 L490N484-G486 VanDerWaalsContact C-N 3.33Å; N484-G486 PolarHBondContact O-N 3.25Å; N484-G486 PolarHBondContact OD1-N 3.5Å; G486-M489 PolarHBondContact O-N 3.02Å; G486-L490 VanDerWaalsContact O-CG 3.3Å; G486-L490 WeakPolarHBondContact O-CG 3.33Å; G486-L490 PolarHBondContact O-N 3.3Å
487S91Very high88.3Confident7 Ų789.1 Ų89.15%0.04952%0.524CS..Hα-helixtrans-65.3-40.9176.257.20000111.5P481 N484 L490 Q491P481-S487 PolarHBondContact O-OG 3.45Å; P481-S487 VanDerWaalsContact O-OG 3.1Å; N484-S487 PolarHBondContact O-OG 2.83Å; S487-L490 PolarHBondContact O-N 3.22Å; S487-Q491 WeakPolarHBondContact O-CB 3.32Å; S487-Q491 WeakPolarHBondContact O-CG 3.46Å; S487-Q491 PolarHBondContact O-N 3.08Å
488R92.7Very high88.1Confident138 Ų13888.6 Ų88.652%0.52153%0.525SS..Hα-helixtrans-63.7-42.1175.1-69.3170.6178.8-171.3-5.7112.6D482 N484 M485 Q491 S492D482-R488 WeakPolarHBondContact O-CG 3.45Å; D482-R488 PolarHBondContact O-NE 3.34Å; N484-R488 VanDerWaalsContact O-CG 3.31Å; N484-R488 WeakPolarHBondContact O-CG 3.32Å; N484-R488 PolarHBondContact O-N 3.18Å; M485-R488 PolarHBondContact O-N 2.89Å; R488-Q491 PolarHBondContact O-N 3.02Å; R488-S492 PolarHBondContact O-N 2.89Å; R488-S492 PolarHBondContact O-OG 3.42Å
489M92.9Very high88.1Confident130 Ų13089 Ų8964%0.6451%0.513SS*.Hα-helixtrans-63.3-44.5176.1-73.1174.977.500111.3M485 G486 Q491 S492 M493M485-M489 WeakPolarHBondContact O-CB 3.47Å; M485-M489 VanDerWaalsContact O-CG 3.24Å; M485-M489 WeakPolarHBondContact O-CG 3.37Å; M485-M489 PolarHBondContact O-N 2.88Å; G486-M489 PolarHBondContact O-N 3.02Å; M489-Q491 VanDerWaalsContact C-N 3.35Å; M489-Q491 PolarHBondContact O-N 2.87Å; M489-S492 WeakPolarHBondContact CA-OG 3.49Å; M489-S492 PolarHBondContact O-N 3.06Å; M489-S492 PolarHBondContact O-OG 2.89Å; M489-M493 WeakPolarHBondContact O-CG 3.46Å; M489-M493 PolarHBondContact O-N 3.46Å; M489-M493 VanDerWaalsContact O-N 3.14Å
490L89.7Confident87.8Confident74 Ų7483.5 Ų83.539%0.38748%0.478SS..Hα-helixtrans-60.9-43.5173.9-69.6170.6000111.5G486 S487 S492 M493 G494 W495 L501G486-L490 VanDerWaalsContact O-CG 3.3Å; G486-L490 WeakPolarHBondContact O-CG 3.33Å; G486-L490 PolarHBondContact O-N 3.3Å; S487-L490 PolarHBondContact O-N 3.22Å; L490-S492 PolarHBondContact O-N 2.87Å; L490-M493 CarbonylContact O-C 3.25Å; L490-M493 WeakPolarHBondContact O-CA 3.49Å; L490-M493 PolarHBondContact O-N 2.86Å; L490-G494 PolarHBondContact O-N 2.85Å; L490-W495 HydrophobicContact CB-CB 4.08Å; L490-W495 HydrophobicContact CB-CD2 4.13Å; L490-W495 HydrophobicContact CB-CE3 3.58Å; L490-W495 HydrophobicContact CB-CG 4.36Å; L490-W495 HydrophobicContact CB-CZ3 4.38Å; L490-W495 HydrophobicContact CD1-CE3 4.18Å; L490-W495 HydrophobicContact CD1-CZ3 4.42Å; L490-W495 WeakPolarHBondContact O-CB 3.42Å; L490-W495 PolarHBondContact O-N 3.44Å; L490-L501 HydrophobicContact CD2-CD2 4.28Å
491Q89.3Confident87.3Confident67 Ų6783.2 Ų83.231%0.31348%0.477SS..Hα-helixtrans-62.2-39.9176-73.5164.41.400112.8D482 S487 R488 M489 M493 G494 W495D482-Q491 PolarHBondContact OD1-NE2 2.66Å; S487-Q491 WeakPolarHBondContact O-CB 3.32Å; S487-Q491 WeakPolarHBondContact O-CG 3.46Å; S487-Q491 PolarHBondContact O-N 3.08Å; R488-Q491 PolarHBondContact O-N 3.02Å; M489-Q491 VanDerWaalsContact C-N 3.35Å; M489-Q491 PolarHBondContact O-N 2.87Å; Q491-M493 PolarHBondContact O-N 3.27Å; Q491-G494 PolarHBondContact O-N 2.82Å; Q491-G494 VanDerWaalsContact O-N 3.07Å; Q491-W495 WeakPolarHBondContact CA-O 3.25Å; Q491-W495 HydrophobicContact CG-CE3 4.46Å; Q491-W495 WeakPolarHBondContact CG-O 3.48Å
492S90.1Very high86.5Confident96 Ų9682 Ų8267%0.67148%0.478SS*.Hα-helixtrans-66.3-22.2172.756.80000113.9R488 M489 L490 G494R488-S492 PolarHBondContact O-N 2.89Å; R488-S492 PolarHBondContact O-OG 3.42Å; M489-S492 WeakPolarHBondContact CA-OG 3.49Å; M489-S492 PolarHBondContact O-N 3.06Å; M489-S492 PolarHBondContact O-OG 2.89Å; L490-S492 PolarHBondContact O-N 2.87Å; S492-G494 VanDerWaalsContact C-N 3.3Å
493M87.2Confident85.8Confident163 Ų16384.3 Ų84.380%0.80350%0.498SS*.THydrogen-bonded Turntrans-91.114.9173.1-61.9-60.2-66.200112.8M489 L490 Q491M489-M493 WeakPolarHBondContact O-CG 3.46Å; M489-M493 PolarHBondContact O-N 3.46Å; M489-M493 VanDerWaalsContact O-N 3.14Å; L490-M493 CarbonylContact O-C 3.25Å; L490-M493 WeakPolarHBondContact O-CA 3.49Å; L490-M493 PolarHBondContact O-N 2.86Å; Q491-M493 PolarHBondContact O-N 3.27Å
494G85.6Confident85.2Confident63 Ų6385.5 Ų85.565%0.64950%0.497SS*.THydrogen-bonded Turntrans84.84.6175.400000115.8L490 Q491 S492L490-G494 PolarHBondContact O-N 2.85Å; Q491-G494 PolarHBondContact O-N 2.82Å; Q491-G494 VanDerWaalsContact O-N 3.07Å; S492-G494 VanDerWaalsContact C-N 3.3Å
495W86.1Confident84.3Confident70 Ų7082.8 Ų82.827%0.26549%0.486SS..  trans-80.213217617773.8000112.1L490 Q491 P497 M499 L501L490-W495 HydrophobicContact CB-CB 4.08Å; L490-W495 HydrophobicContact CB-CD2 4.13Å; L490-W495 HydrophobicContact CB-CE3 3.58Å; L490-W495 HydrophobicContact CB-CG 4.36Å; L490-W495 HydrophobicContact CB-CZ3 4.38Å; L490-W495 HydrophobicContact CD1-CE3 4.18Å; L490-W495 HydrophobicContact CD1-CZ3 4.42Å; L490-W495 WeakPolarHBondContact O-CB 3.42Å; L490-W495 PolarHBondContact O-N 3.44Å; Q491-W495 WeakPolarHBondContact CA-O 3.25Å; Q491-W495 HydrophobicContact CG-CE3 4.46Å; Q491-W495 WeakPolarHBondContact CG-O 3.48Å; W495-P497 HydrophobicContact CH2-CG 4.3Å; W495-P497 HydrophobicContact CZ3-CG 4.49Å; W495-M499 PolarHBondContact NE1-O 2.82Å; W495-L501 HydrophobicContact CB-CD2 3.73Å; W495-L501 VanDerWaalsContact CD1-CD2 3.47Å; W495-L501 HydrophobicContact CG-CD2 3.68Å; W495-L501 HydrophobicContact CG-CG 4.45Å
496S84.4Confident83.6Confident44 Ų4485.3 Ų85.331%0.30849%0.488SS..  trans-122.1151.6172.271.40000111.4G498 M499S496-G498 PolarHBondContact O-N 2.96Å; S496-M499 PolarHBondContact O-N 2.84Å; S496-M499 WeakPolarHBondContact OG-CB 3.38Å; S496-M499 VanDerWaalsContact OG-CG 3.25Å; S496-M499 WeakPolarHBondContact OG-CG 3.33Å; S496-M499 PolarHBondContact OG-SD 2.79Å
497P82.1Confident83Confident92 Ų9285.1 Ų85.160%0.59749%0.485SS*.THydrogen-bonded Turntrans-57.3121.6178.3-25.735.4000112.1W495W495-P497 HydrophobicContact CH2-CG 4.3Å; W495-P497 HydrophobicContact CZ3-CG 4.49Å
498G78.1Confident82.4Confident59 Ų5991.2 Ų91.261%0.60852%0.516SS*.THydrogen-bonded Turntrans91.7-13.3-177.800000115S496 T509S496-G498 PolarHBondContact O-N 2.96Å; G498-T509 VanDerWaalsContact O-CG2 3.31Å; G498-T509 WeakPolarHBondContact O-CG2 3.38Å
499M80Confident81.6Confident98 Ų9888.9 Ų88.948%0.48352%0.517SS..SBendtrans-87.4147.2164.1-70.1-176.664.100110.5W495 S496W495-M499 PolarHBondContact NE1-O 2.82Å; S496-M499 PolarHBondContact O-N 2.84Å; S496-M499 WeakPolarHBondContact OG-CB 3.38Å; S496-M499 VanDerWaalsContact OG-CG 3.25Å; S496-M499 WeakPolarHBondContact OG-CG 3.33Å; S496-M499 PolarHBondContact OG-SD 2.79Å
500G77.3Confident81Confident4 Ų488.3 Ų88.34%0.04151%0.513CS..PPolyproline II helixtrans-84.9146.8178.600000112.2G505 G507G500-G505 WeakPolarHBondContact CA-O 3.33Å; G500-G505 PolarHBondContact N-O 3.06Å; G500-G505 CarbonylContact O-C 3.59Å; G500-G505 VanDerWaalsContact O-C 3.25Å; G500-G505 VanDerWaalsContact O-CA 3.28Å; G500-G505 WeakPolarHBondContact O-CA 3.26Å; G500-G507 WeakPolarHBondContact CA-O 3.28Å
501L75.4Confident80.4Confident113 Ų11390 Ų9059%0.59253%0.529SS*.SBendtrans-65.3135.9176.6-69165.5000111.9L490 W495 G507L490-L501 HydrophobicContact CD2-CD2 4.28Å; W495-L501 HydrophobicContact CB-CD2 3.73Å; W495-L501 VanDerWaalsContact CD1-CD2 3.47Å; W495-L501 HydrophobicContact CG-CD2 3.68Å; W495-L501 HydrophobicContact CG-CG 4.45Å; L501-G507 WeakPolarHBondContact O-CA 3.37Å
502G73.5Confident80.1Confident50 Ų5093.9 Ų93.952%0.51555%0.55SS..SBendtrans132.5164.7178.700000112.5E504 G505G502-E504 PolarHBondContact O-N 3.36Å; G502-G505 PolarHBondContact O-N 3.36Å
503P74.1Confident79.8Confident144 Ų14497 Ų9794%0.93555%0.547SS*.THydrogen-bonded Turntrans-60.7-32.4-174.424.1-34.3000113.4
504E79.9Confident79.7Confident128 Ų12892 Ų9260%0.59853%0.532SS*.THydrogen-bonded Turntrans-82.6-7.5178.7-72.7-68.812900114.2G502 R506G502-E504 PolarHBondContact O-N 3.36Å; E504-R506 HydrophobicContact CB-CB 4.27Å; E504-R506 HydrophobicContact CB-CG 3.97Å; E504-R506 WeakPolarHBondContact O-CG 3.43Å; E504-R506 PolarHBondContact O-N 2.95Å; E504-R506 VanDerWaalsContact O-N 3.13Å; E504-R506 IonicContact OE2-CZ 3.99Å; E504-R506 IonicContact OE2-NE 3.2Å; E504-R506 PolarHBondContact OE2-NE 2.87Å; E504-R506 IonicContact OE2-NH2 3.17Å; E504-R506 PolarHBondContact OE2-NH2 2.97Å
505G75.8Confident79.7Confident17 Ų1793.1 Ų93.118%0.17553%0.525CS..SBendtrans67.83.3-170.800000115.4G500 G502G500-G505 WeakPolarHBondContact CA-O 3.33Å; G500-G505 PolarHBondContact N-O 3.06Å; G500-G505 CarbonylContact O-C 3.59Å; G500-G505 VanDerWaalsContact O-C 3.25Å; G500-G505 VanDerWaalsContact O-CA 3.28Å; G500-G505 WeakPolarHBondContact O-CA 3.26Å; G502-G505 PolarHBondContact O-N 3.36Å
506R79.2Confident79.6Confident204 Ų20494.4 Ų94.477%0.7754%0.535SS*.  trans-94.415.8-173.5-57.6-177.2-147.1-154.19.2115.1E504E504-R506 HydrophobicContact CB-CB 4.27Å; E504-R506 HydrophobicContact CB-CG 3.97Å; E504-R506 WeakPolarHBondContact O-CG 3.43Å; E504-R506 PolarHBondContact O-N 2.95Å; E504-R506 VanDerWaalsContact O-N 3.13Å; E504-R506 IonicContact OE2-CZ 3.99Å; E504-R506 IonicContact OE2-NE 3.2Å; E504-R506 PolarHBondContact OE2-NE 2.87Å; E504-R506 IonicContact OE2-NH2 3.17Å; E504-R506 PolarHBondContact OE2-NH2 2.97Å
507G77.9Confident79.5Confident26 Ų2697.9 Ų97.927%0.26854%0.541SS..SBendtrans-61.7-179.817300000113.1G500 L501 T509G500-G507 WeakPolarHBondContact CA-O 3.28Å; L501-G507 WeakPolarHBondContact O-CA 3.37Å; G507-T509 PolarHBondContact O-N 3.31Å; G507-T509 VanDerWaalsContact O-N 3.11Å
508I80.1Confident79.6Confident136 Ų13695.9 Ų95.970%0.69753%0.528SS*.  trans-61.8117.5-179.7-50.6178.2000109.9E510I508-E510 WeakPolarHBondContact CG2-O 3.27Å
509T75Confident79.9Confident89 Ų89103 Ų10355%0.54654%0.542SS..  trans-91.1-30.5-179.8520000113.2G498 G507G498-T509 VanDerWaalsContact O-CG2 3.31Å; G498-T509 WeakPolarHBondContact O-CG2 3.38Å; G507-T509 PolarHBondContact O-N 3.31Å; G507-T509 VanDerWaalsContact O-N 3.11Å
510E79.6Confident80.1Confident118 Ų118102.4 Ų102.455%0.55156%0.561SS**SBendtrans-76.4133.9172.3-79.9-160.1-142.400111.7I508 I512 R513I508-E510 WeakPolarHBondContact CG2-O 3.27Å; E510-I512 PolarHBondContact O-N 3.33Å; E510-R513 IonicContact OE2-CZ 2.88Å; E510-R513 IonicContact OE2-NE 3.53Å; E510-R513 IonicContact OE2-NH2 2.66Å; E510-R513 PolarHBondContact OE2-NH2 3.32Å
511P78.1Confident80.4Confident110 Ų110104.4 Ų104.471%0.71458%0.578SS**  trans-57.9131.1174.9-2635.1000113R513P511-R513 WeakPolarHBondContact O-CG 3.33Å; P511-R513 PolarHBondContact O-N 2.97Å; P511-R513 VanDerWaalsContact O-N 3.11Å
512I82.8Confident80.7Confident147 Ų147101.6 Ų101.675%0.75458%0.575SS**  trans-65112.5178.8-59177.3000109.7E510 A514E510-I512 PolarHBondContact O-N 3.33Å; I512-A514 PolarHBondContact O-N 2.92Å
513R84.8Confident81.1Confident163 Ų163106.9 Ų106.962%0.61559%0.591SS**  trans-82.1106.5-175.1-53.8-173.7-158.4-167.58.5110.8V472 E510 P511V472-R513 HydrophobicContact CG1-CB 3.79Å; V472-R513 HydrophobicContact CG1-CG 4.33Å; V472-R513 HydrophobicContact CG2-CB 4.15Å; E510-R513 IonicContact OE2-CZ 2.88Å; E510-R513 IonicContact OE2-NE 3.53Å; E510-R513 IonicContact OE2-NH2 2.66Å; E510-R513 PolarHBondContact OE2-NH2 3.32Å; P511-R513 WeakPolarHBondContact O-CG 3.33Å; P511-R513 PolarHBondContact O-N 2.97Å; P511-R513 VanDerWaalsContact O-N 3.11Å
514A84.6Confident81.6Confident58 Ų58104.1 Ų104.148%0.47959%0.589SS.*EExtended strand (participates in β ladder)trans-87.7117175.600000111.2V472 V473 I512V472-A514 CarbonylContact C-O 3.57Å; V472-A514 WeakPolarHBondContact CA-O 3.34Å; V473-A514 HydrophobicContact CB-CB 4.49Å; V473-A514 WeakPolarHBondContact CB-O 3.2Å; V473-A514 PolarHBondContact N-O 3.17Å; I512-A514 PolarHBondContact O-N 2.92Å
515T85.8Confident81.4Confident85 Ų85102.3 Ų102.352%0.52158%0.579SS.*EExtended strand (participates in β ladder)trans-88.1135.8178.849.70000112.5V472 R517V472-T515 HydrophobicContact CG2-CG2 4.11Å; T515-R517 PolarHBondContact O-N 2.94Å
516Q82.9Confident80.7Confident98 Ų98110.4 Ų110.446%0.45862%0.619SS.*  trans-79.399.5176.9-174.2172.2114.100111.4S470 G471 V473S470-Q516 PolarHBondContact OG-O 3.43Å; S470-Q516 VanDerWaalsContact OG-O 3.14Å; G471-Q516 PolarHBondContact O-N 3.39Å; V473-Q516 HydrophobicContact CG2-CB 3.89Å
517R83.6Confident80.8Confident116 Ų116105.8 Ų105.844%0.43861%0.611SS.*PPolyproline II helixtrans-55.6133.1174-70.1-172.6175.7-136.1-8.7111.7T515 L523 F525 N526T515-R517 PolarHBondContact O-N 2.94Å; R517-L523 PolarHBondContact NH1-O 3.25Å; R517-F525 PolarHBondContact NH1-O 3.14Å; R517-F525 PolarHBondContact NH2-O 3.47Å; R517-N526 PolarHBondContact NH2-OD1 3.03Å
518P84.2Confident80.9Confident51 Ų51109.9 Ų109.933%0.33163%0.629SS.*PPolyproline II helixtrans-65.6141.4-177.122.4-30000112.7G520 A521 F525P518-G520 PolarHBondContact O-N 2.89Å; P518-A521 HydrophobicContact CG-CB 4.13Å; P518-A521 WeakPolarHBondContact O-CB 3.26Å; P518-A521 PolarHBondContact O-N 3.38Å; P518-A521 VanDerWaalsContact O-N 3.11Å; P518-F525 HydrophobicContact CG-CD1 4.17Å; P518-F525 HydrophobicContact CG-CD2 4.47Å; P518-F525 HydrophobicContact CG-CE1 3.64Å; P518-F525 HydrophobicContact CG-CE2 3.97Å; P518-F525 HydrophobicContact CG-CZ 3.53Å
519K83.8Confident81Confident208 Ų208108.5 Ų108.590%0.90463%0.625SS**THydrogen-bonded Turntrans-60.1118.3-173.2-68.1177.6-179.1174.10111.5
520G83.8Confident81.3Confident86 Ų86109.6 Ų109.689%0.88763%0.63SS**THydrogen-bonded Turntrans95.9-1.5178.500000115.2P518P518-G520 PolarHBondContact O-N 2.89Å
521A83.1Confident81.4Confident46 Ų46109.1 Ų109.138%0.3864%0.635SS.*  trans-67.3151.7170.500000112.2P518 F525P518-A521 HydrophobicContact CG-CB 4.13Å; P518-A521 WeakPolarHBondContact O-CB 3.26Å; P518-A521 PolarHBondContact O-N 3.38Å; P518-A521 VanDerWaalsContact O-N 3.11Å; A521-F525 HydrophobicContact CB-CB 3.77Å; A521-F525 HydrophobicContact CB-CD1 4.43Å; A521-F525 HydrophobicContact CB-CD2 4.12Å; A521-F525 HydrophobicContact CB-CG 3.85Å
522G82.6Confident81.7Confident53 Ų53109.1 Ų109.155%0.54663%0.63SS.*  trans-81.8175.317500000113G524 F525G522-G524 PolarHBondContact O-N 3.17Å; G522-F525 WeakPolarHBondContact O-CB 3.46Å; G522-F525 PolarHBondContact O-N 3.36Å; G522-F525 VanDerWaalsContact O-N 3.12Å
523L82.6Confident81.6Confident162 Ų162106.4 Ų106.485%0.84862%0.621SS**THydrogen-bonded Turntrans-61.3-33.6175.6-69.1173.4000112.6R517 F525R517-L523 PolarHBondContact NH1-O 3.25Å; L523-F525 PolarHBondContact O-N 3.3Å
524G84.4Confident81.3Confident86 Ų86102 Ų10289%0.88762%0.621SS**THydrogen-bonded Turntrans-76.113.4174.600000115.6G522G522-G524 PolarHBondContact O-N 3.17Å
525F73.9Confident81.1Confident89 Ų89105.7 Ų105.739%0.3963%0.633SS.*  trans-89.2106.9161.7-174.5-80.6000108R517 P518 A521 G522 L523R517-F525 PolarHBondContact NH1-O 3.14Å; R517-F525 PolarHBondContact NH2-O 3.47Å; P518-F525 HydrophobicContact CG-CD1 4.17Å; P518-F525 HydrophobicContact CG-CD2 4.47Å; P518-F525 HydrophobicContact CG-CE1 3.64Å; P518-F525 HydrophobicContact CG-CE2 3.97Å; P518-F525 HydrophobicContact CG-CZ 3.53Å; A521-F525 HydrophobicContact CB-CB 3.77Å; A521-F525 HydrophobicContact CB-CD1 4.43Å; A521-F525 HydrophobicContact CB-CD2 4.12Å; A521-F525 HydrophobicContact CB-CG 3.85Å; G522-F525 WeakPolarHBondContact O-CB 3.46Å; G522-F525 PolarHBondContact O-N 3.36Å; G522-F525 VanDerWaalsContact O-N 3.12Å; L523-F525 PolarHBondContact O-N 3.3Å
526N62Low80.6Confident188 Ų188107.5 Ų107.5100%1.00564%0.643SS**  trans-114.30168.1-85.4-1.4000108.3R517R517-N526 PolarHBondContact NH2-OD1 3.03Å

Retrieved 526 of 526 residues in 277.8 ms (Link to these results)