A0A077Z0A6_TRITR Loading...

Cuticle collagen 34

AlphaFold DB , UniProt , Accession A0A077Z0A6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 279 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
1M59.8Low76.2Confident214 Ų214128.5 Ų128.5100%1.05460%0.602SS**  0-64.10-69.2-179177.800112.8N3 N4M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.15Å; M1-N3 VanDerWaalsContact O-N 3.08Å; M1-N4 PolarHBondContact O-N 2.9Å
2Y63.3Low76.6Confident179 Ų179125.8 Ų125.870%0.70260%0.601SS**Hα-helixtrans-44.3-46.1-172.9-172.6-100.4000115.9N4 V5 K6Y2-N4 VanDerWaalsContact C-N 3.3Å; Y2-N4 PolarHBondContact O-N 3.14Å; Y2-V5 PolarHBondContact O-N 3.21Å; Y2-K6 PolarHBondContact O-N 3.36Å
3N74.3Confident77.2Confident126 Ų126127.1 Ų127.167%0.67460%0.602SS**Hα-helixtrans-59.9-34.9-178.4-65.8-2.8000113.7M1 K6 Y7M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.15Å; M1-N3 VanDerWaalsContact O-N 3.08Å; N3-K6 PolarHBondContact O-N 3.37Å; N3-Y7 WeakPolarHBondContact O-CB 3.46Å; N3-Y7 PolarHBondContact O-N 3.08Å
4N75.3Confident77.3Confident118 Ų118129 Ų12963%0.63160%0.601SS**Hα-helixtrans-68.6-38.2-179.8-65.324000111.1M1 Y2 K6 Y7 M8M1-N4 PolarHBondContact O-N 2.9Å; Y2-N4 VanDerWaalsContact C-N 3.3Å; Y2-N4 PolarHBondContact O-N 3.14Å; N4-K6 PolarHBondContact O-N 3.07Å; N4-Y7 PolarHBondContact O-N 3.31Å; N4-M8 VanDerWaalsContact O-CG 3.3Å; N4-M8 WeakPolarHBondContact O-CG 3.17Å; N4-M8 PolarHBondContact O-N 3.49Å
5V81.8Confident77.3Confident86 Ų86125.7 Ų125.752%0.52159%0.589SS.*Hα-helixtrans-63.2-44177-176.20000110.4Y2 M8 Q9Y2-V5 PolarHBondContact O-N 3.21Å; V5-M8 PolarHBondContact O-N 3.32Å; V5-Q9 WeakPolarHBondContact O-CG 3.2Å; V5-Q9 PolarHBondContact O-N 3.46Å
6K83.1Confident77.1Confident112 Ų112121.8 Ų121.849%0.48758%0.584SS.*Hα-helixtrans-67-35.5177.2-164.7171.3-176.5176.40112.3Y2 N3 N4 N10Y2-K6 PolarHBondContact O-N 3.36Å; N3-K6 PolarHBondContact O-N 3.37Å; N4-K6 PolarHBondContact O-N 3.07Å; K6-N10 WeakPolarHBondContact O-CB 3.31Å; K6-N10 PolarHBondContact O-N 3.39Å; K6-N10 VanDerWaalsContact O-N 3.09Å
7Y78.8Confident77.3Confident140 Ų140119.3 Ų119.355%0.54958%0.578SS.*Hα-helixtrans-63.2-48.9172.5-178-103.7000111.9N3 N4 Q9 N10 R11N3-Y7 WeakPolarHBondContact O-CB 3.46Å; N3-Y7 PolarHBondContact O-N 3.08Å; N4-Y7 PolarHBondContact O-N 3.31Å; Y7-Q9 PolarHBondContact O-N 3.11Å; Y7-N10 CarbonylContact O-C 3.54Å; Y7-N10 PolarHBondContact O-N 3.43Å; Y7-N10 VanDerWaalsContact O-N 3.15Å; Y7-R11 PolarHBondContact O-N 3.2Å
8M75.4Confident77.2Confident112 Ų112115.4 Ų115.455%0.55257%0.569SS**Hα-helixtrans-61.7-43.6178.5-67.3-65.6-84.200112N4 V5 N10 R11 V12N4-M8 VanDerWaalsContact O-CG 3.3Å; N4-M8 WeakPolarHBondContact O-CG 3.17Å; N4-M8 PolarHBondContact O-N 3.49Å; V5-M8 PolarHBondContact O-N 3.32Å; M8-N10 VanDerWaalsContact C-N 3.32Å; M8-N10 PolarHBondContact O-N 3.24Å; M8-R11 WeakPolarHBondContact O-CB 3.06Å; M8-R11 PolarHBondContact O-N 3.37Å; M8-R11 VanDerWaalsContact O-N 3.12Å; M8-V12 WeakPolarHBondContact O-CG2 3.36Å; M8-V12 PolarHBondContact O-N 3.19Å
9Q81.2Confident76.5Confident113 Ų113113.9 Ų113.953%0.52857%0.57SS.*Hα-helixtrans-60.4-38.9173.8-74.5-176.4-13.700112.8V5 Y7 R11 K13V5-Q9 WeakPolarHBondContact O-CG 3.2Å; V5-Q9 PolarHBondContact O-N 3.46Å; Y7-Q9 PolarHBondContact O-N 3.11Å; Q9-R11 VanDerWaalsContact C-N 3.3Å; Q9-R11 PolarHBondContact O-N 3.21Å; Q9-K13 WeakPolarHBondContact O-CB 3.21Å; Q9-K13 VanDerWaalsContact O-CG 3.32Å; Q9-K13 WeakPolarHBondContact O-CG 3.27Å; Q9-K13 PolarHBondContact O-N 3.25Å
10N84Confident76.5Confident77 Ų77116.8 Ų116.841%0.41257%0.574SS.*Hα-helixtrans-77.1-12.7176.7-75-6.1000114K6 Y7 M8 R14K6-N10 WeakPolarHBondContact O-CB 3.31Å; K6-N10 PolarHBondContact O-N 3.39Å; K6-N10 VanDerWaalsContact O-N 3.09Å; Y7-N10 CarbonylContact O-C 3.54Å; Y7-N10 PolarHBondContact O-N 3.43Å; Y7-N10 VanDerWaalsContact O-N 3.15Å; M8-N10 VanDerWaalsContact C-N 3.32Å; M8-N10 PolarHBondContact O-N 3.24Å; N10-R14 PolarHBondContact O-NE 2.6Å
11R81.3Confident76.5Confident136 Ų136117 Ų11751%0.51357%0.573SS.*Hα-helixtrans-81.1-57.3168.2-179.9169.9178.3175.21.3109.8Y7 M8 Q9 K13 R14 D15Y7-R11 PolarHBondContact O-N 3.2Å; M8-R11 WeakPolarHBondContact O-CB 3.06Å; M8-R11 PolarHBondContact O-N 3.37Å; M8-R11 VanDerWaalsContact O-N 3.12Å; Q9-R11 VanDerWaalsContact C-N 3.3Å; Q9-R11 PolarHBondContact O-N 3.21Å; R11-K13 PolarHBondContact O-N 3.14Å; R11-K13 VanDerWaalsContact O-N 3.12Å; R11-R14 WeakPolarHBondContact O-CA 3.02Å; R11-R14 PolarHBondContact O-N 3.32Å; R11-D15 VanDerWaalsContact CG-OD2 3.3Å; R11-D15 WeakPolarHBondContact CG-OD2 3.27Å; R11-D15 IonicContact NE-OD2 2.6Å; R11-D15 VanDerWaalsContact O-CG 3.26Å; R11-D15 PolarHBondContact O-N 3.23Å
12V81.3Confident77.3Confident97 Ų97110.5 Ų110.559%0.58855%0.545SS*.Hα-helixtrans-52.6-39.4177.2175.60000112.3M8 R14 A16M8-V12 WeakPolarHBondContact O-CG2 3.36Å; M8-V12 PolarHBondContact O-N 3.19Å; V12-R14 PolarHBondContact O-N 3.09Å; V12-A16 VanDerWaalsContact O-CB 3.23Å; V12-A16 WeakPolarHBondContact O-CB 3.22Å; V12-A16 PolarHBondContact O-N 3.17Å
13K83.5Confident77.9Confident142 Ų142105.8 Ų105.862%0.61754%0.535SS*.Hα-helixtrans-66.4-30.2175.4-78.6-179.9176.6-176.60114.9Q9 R11 V17Q9-K13 WeakPolarHBondContact O-CB 3.21Å; Q9-K13 VanDerWaalsContact O-CG 3.32Å; Q9-K13 WeakPolarHBondContact O-CG 3.27Å; Q9-K13 PolarHBondContact O-N 3.25Å; R11-K13 PolarHBondContact O-N 3.14Å; R11-K13 VanDerWaalsContact O-N 3.12Å; K13-V17 WeakPolarHBondContact O-CG2 3.49Å
14R79.7Confident78Confident154 Ų154104.1 Ų104.158%0.58153%0.527SS*.Hα-helixtrans-80.3-44.2175.7-80.2-176.9-73.2164.3-0.3111N10 R11 V12 A16 V17 A18N10-R14 PolarHBondContact O-NE 2.6Å; R11-R14 WeakPolarHBondContact O-CA 3.02Å; R11-R14 PolarHBondContact O-N 3.32Å; V12-R14 PolarHBondContact O-N 3.09Å; R14-A16 PolarHBondContact O-N 3.38Å; R14-V17 PolarHBondContact O-N 3.17Å; R14-A18 PolarHBondContact O-N 2.78Å
15D76.7Confident78Confident80 Ų80105.2 Ų105.243%0.42853%0.528SS..Hα-helixtrans-59.4-38.9177.6-54.5-16.6000110.4R11 V17 A18 C19R11-D15 VanDerWaalsContact CG-OD2 3.3Å; R11-D15 WeakPolarHBondContact CG-OD2 3.27Å; R11-D15 IonicContact NE-OD2 2.6Å; R11-D15 VanDerWaalsContact O-CG 3.26Å; R11-D15 PolarHBondContact O-N 3.23Å; D15-V17 VanDerWaalsContact C-N 3.34Å; D15-V17 PolarHBondContact O-N 3.21Å; D15-A18 PolarHBondContact O-N 3.14Å; D15-C19 WeakPolarHBondContact O-CB 3.44Å; D15-C19 PolarHBondContact O-N 3.04Å; D15-C19 PolarHBondContact O-SG 2.98Å; D15-C19 VanDerWaalsContact O-SG 3.34Å
16A74.5Confident77.8Confident62 Ų62105.1 Ų105.151%0.51252%0.524SS..Hα-helixtrans-68.6-23.1174.300000115.1V12 R14V12-A16 VanDerWaalsContact O-CB 3.23Å; V12-A16 WeakPolarHBondContact O-CB 3.22Å; V12-A16 PolarHBondContact O-N 3.17Å; R14-A16 PolarHBondContact O-N 3.38Å
17V81Confident77.6Confident80 Ų80103.1 Ų103.149%0.48552%0.524SS..Hα-helixtrans-80.1-47.1172.7170.30000109.9K13 R14 D15 C19 R20 E21K13-V17 WeakPolarHBondContact O-CG2 3.49Å; R14-V17 PolarHBondContact O-N 3.17Å; D15-V17 VanDerWaalsContact C-N 3.34Å; D15-V17 PolarHBondContact O-N 3.21Å; V17-C19 VanDerWaalsContact C-N 3.34Å; V17-C19 PolarHBondContact O-N 3.42Å; V17-R20 WeakPolarHBondContact O-CA 3.41Å; V17-R20 WeakPolarHBondContact O-CB 3.29Å; V17-R20 PolarHBondContact O-N 2.98Å; V17-E21 PolarHBondContact O-N 3.28Å
18A75Confident77.7Confident49 Ų49103.1 Ų103.141%0.40553%0.53SS..Hα-helixtrans-59.4-42.5177.900000112.3R14 D15 R20 E21 V22R14-A18 PolarHBondContact O-N 2.78Å; D15-A18 PolarHBondContact O-N 3.14Å; A18-R20 PolarHBondContact O-N 2.89Å; A18-E21 PolarHBondContact O-N 3.36Å; A18-V22 WeakPolarHBondContact O-CG2 3.08Å; A18-V22 PolarHBondContact O-N 2.9Å; A18-V22 VanDerWaalsContact O-N 3.16Å
19C64.2Low77.8Confident87 Ų87104.3 Ų104.359%0.58854%0.535SS*.Hα-helixtrans-60.3-31.3173-73.90000113D15 V17 T23D15-C19 WeakPolarHBondContact O-CB 3.44Å; D15-C19 PolarHBondContact O-N 3.04Å; D15-C19 PolarHBondContact O-SG 2.98Å; D15-C19 VanDerWaalsContact O-SG 3.34Å; V17-C19 VanDerWaalsContact C-N 3.34Å; V17-C19 PolarHBondContact O-N 3.42Å; C19-T23 WeakPolarHBondContact O-CG2 3.24Å; C19-T23 PolarHBondContact O-N 3.31Å; C19-T23 PolarHBondContact O-OG1 3.35Å
20R75.5Confident77.6Confident171 Ų171104.1 Ų104.165%0.64554%0.535SS*.Hα-helixtrans-75.6-43.9179.8-170.9173.5-177.9157.52.7112V17 A18 V22 T23 D24V17-R20 WeakPolarHBondContact O-CA 3.41Å; V17-R20 WeakPolarHBondContact O-CB 3.29Å; V17-R20 PolarHBondContact O-N 2.98Å; A18-R20 PolarHBondContact O-N 2.89Å; R20-V22 VanDerWaalsContact C-N 3.31Å; R20-V22 PolarHBondContact O-N 2.9Å; R20-T23 WeakPolarHBondContact CA-OG1 3.41Å; R20-T23 PolarHBondContact O-N 3.38Å; R20-T23 VanDerWaalsContact O-N 3.1Å; R20-T23 PolarHBondContact O-OG1 2.93Å; R20-D24 PolarHBondContact O-N 3.38Å
21E77.4Confident77.4Confident122 Ų122102.9 Ų102.957%0.5754%0.536SS*.Hα-helixtrans-55.5-46.9174.5-68.7169.3162.900110.7V17 A18 T23 D24 E25V17-E21 PolarHBondContact O-N 3.28Å; A18-E21 PolarHBondContact O-N 3.36Å; E21-T23 PolarHBondContact O-N 3.46Å; E21-D24 PolarHBondContact O-N 3.36Å; E21-E25 PolarHBondContact O-N 3.14Å
22V76.5Confident77.2Confident77 Ų77102.8 Ų102.847%0.46754%0.543SS..Hα-helixtrans-63.1-37.7175.8174.40000112.5A18 R20 D24 I26A18-V22 WeakPolarHBondContact O-CG2 3.08Å; A18-V22 PolarHBondContact O-N 2.9Å; A18-V22 VanDerWaalsContact O-N 3.16Å; R20-V22 VanDerWaalsContact C-N 3.31Å; R20-V22 PolarHBondContact O-N 2.9Å; V22-D24 VanDerWaalsContact C-N 3.35Å; V22-I26 HydrophobicContact CG1-CD1 3.79Å; V22-I26 VanDerWaalsContact O-CG1 3.31Å; V22-I26 WeakPolarHBondContact O-CG1 3.45Å; V22-I26 PolarHBondContact O-N 3.04Å; V22-I26 VanDerWaalsContact O-N 3.11Å
23T74.9Confident76.9Confident80 Ų80103.4 Ų103.449%0.49154%0.542SS..Hα-helixtrans-68.6-32.3175510000113.3C19 R20 E21 S27C19-T23 WeakPolarHBondContact O-CG2 3.24Å; C19-T23 PolarHBondContact O-N 3.31Å; C19-T23 PolarHBondContact O-OG1 3.35Å; R20-T23 WeakPolarHBondContact CA-OG1 3.41Å; R20-T23 PolarHBondContact O-N 3.38Å; R20-T23 VanDerWaalsContact O-N 3.1Å; R20-T23 PolarHBondContact O-OG1 2.93Å; E21-T23 PolarHBondContact O-N 3.46Å; T23-S27 WeakPolarHBondContact O-CB 3.03Å; T23-S27 PolarHBondContact O-N 3.29Å
24D76.1Confident76.6Confident91 Ų91103.4 Ų103.449%0.48754%0.542SS..Hα-helixtrans-72.7-38.7177.6-73.6-34.4000111R20 E21 V22 S27 M28R20-D24 PolarHBondContact O-N 3.38Å; E21-D24 PolarHBondContact O-N 3.36Å; V22-D24 VanDerWaalsContact C-N 3.35Å; D24-S27 WeakPolarHBondContact O-CB 3.24Å; D24-S27 PolarHBondContact O-N 3.1Å; D24-M28 WeakPolarHBondContact O-CG 3.44Å; D24-M28 PolarHBondContact O-N 3.48Å
25E76.9Confident76.2Confident141 Ų141102.9 Ų102.966%0.65955%0.548SS*.Hα-helixtrans-60.6-50.9171.2-71.6-167.3148.300112.4E21 S27 M28 E29E21-E25 PolarHBondContact O-N 3.14Å; E25-S27 VanDerWaalsContact C-N 3.25Å; E25-S27 PolarHBondContact O-N 3.49Å; E25-M28 WeakPolarHBondContact O-CB 3.4Å; E25-M28 PolarHBondContact O-N 3.43Å; E25-M28 VanDerWaalsContact O-N 3.08Å; E25-E29 PolarHBondContact O-N 3.09Å
26I77.2Confident76Confident84 Ų84103.4 Ų103.443%0.43155%0.55SS..Hα-helixtrans-62.1-35.3178.7-66.5169.1000111V22 E29 M30V22-I26 HydrophobicContact CG1-CD1 3.79Å; V22-I26 VanDerWaalsContact O-CG1 3.31Å; V22-I26 WeakPolarHBondContact O-CG1 3.45Å; V22-I26 PolarHBondContact O-N 3.04Å; V22-I26 VanDerWaalsContact O-N 3.11Å; I26-E29 PolarHBondContact O-N 2.93Å; I26-M30 HydrophobicContact CG2-CE 4.11Å; I26-M30 WeakPolarHBondContact O-CG 3.04Å; I26-M30 PolarHBondContact O-N 3.15Å
27S79.3Confident75.7Confident71 Ų71103.5 Ų103.550%0.49755%0.547SS..Hα-helixtrans-63.1-40.9174.6-172.10000111.9T23 D24 E25 M30 A31T23-S27 WeakPolarHBondContact O-CB 3.03Å; T23-S27 PolarHBondContact O-N 3.29Å; D24-S27 WeakPolarHBondContact O-CB 3.24Å; D24-S27 PolarHBondContact O-N 3.1Å; E25-S27 VanDerWaalsContact C-N 3.25Å; E25-S27 PolarHBondContact O-N 3.49Å; S27-M30 PolarHBondContact O-N 3.04Å; S27-A31 WeakPolarHBondContact O-CB 3.2Å; S27-A31 PolarHBondContact O-N 3.41Å
28M79.1Confident74.9Confident139 Ų139102 Ų10269%0.68554%0.542SS*.Hα-helixtrans-65.9-41.4175.3-71.9-175.865.300112.6D24 E25 A31 M32D24-M28 WeakPolarHBondContact O-CG 3.44Å; D24-M28 PolarHBondContact O-N 3.48Å; E25-M28 WeakPolarHBondContact O-CB 3.4Å; E25-M28 PolarHBondContact O-N 3.43Å; E25-M28 VanDerWaalsContact O-N 3.08Å; M28-A31 WeakPolarHBondContact O-CB 3.33Å; M28-A31 PolarHBondContact O-N 3.28Å; M28-M32 PolarHBondContact O-N 3.11Å
29E77.8Confident74.3Confident137 Ų137102.8 Ų102.864%0.6455%0.546SS*.Hα-helixtrans-63.5-45.1173.6-69.9-152.1137.500111.9E25 I26 A31 M32 L33E25-E29 PolarHBondContact O-N 3.09Å; I26-E29 PolarHBondContact O-N 2.93Å; E29-A31 PolarHBondContact O-N 3.42Å; E29-M32 PolarHBondContact O-N 3.16Å; E29-M32 VanDerWaalsContact O-N 3.13Å; E29-L33 WeakPolarHBondContact O-CG 3.48Å; E29-L33 PolarHBondContact O-N 3.4Å
30M78.4Confident74Confident109 Ų109103.5 Ų103.554%0.53754%0.543SS..Hα-helixtrans-62.2-30.2175.3-73.4-160.7-175.800112.8I26 S27 K34I26-M30 HydrophobicContact CG2-CE 4.11Å; I26-M30 WeakPolarHBondContact O-CG 3.04Å; I26-M30 PolarHBondContact O-N 3.15Å; S27-M30 PolarHBondContact O-N 3.04Å; M30-K34 WeakPolarHBondContact O-CD 3.27Å; M30-K34 VanDerWaalsContact O-CG 3.26Å; M30-K34 WeakPolarHBondContact O-CG 3.41Å; M30-K34 PolarHBondContact O-N 3.46Å; M30-K34 VanDerWaalsContact O-N 3.17Å
31A79.3Confident73.3Confident52 Ų5299.9 Ų99.943%0.4354%0.537SS..Hα-helixtrans-69.6-43.2172.200000112.1S27 M28 E29 K34 M35S27-A31 WeakPolarHBondContact O-CB 3.2Å; S27-A31 PolarHBondContact O-N 3.41Å; M28-A31 WeakPolarHBondContact O-CB 3.33Å; M28-A31 PolarHBondContact O-N 3.28Å; E29-A31 PolarHBondContact O-N 3.42Å; A31-K34 PolarHBondContact O-N 3.42Å; A31-M35 WeakPolarHBondContact O-CG 3.38Å; A31-M35 PolarHBondContact O-N 3.06Å
32M77.3Confident72.3Confident134 Ų134103 Ų10366%0.6654%0.543SS*.Hα-helixtrans-60.8-45.5173.3-79.9-157.7-179.200112.1M28 E29 K34 M35 I36M28-M32 PolarHBondContact O-N 3.11Å; E29-M32 PolarHBondContact O-N 3.16Å; E29-M32 VanDerWaalsContact O-N 3.13Å; M32-K34 VanDerWaalsContact C-N 3.29Å; M32-K34 PolarHBondContact O-N 3.44Å; M32-M35 WeakPolarHBondContact O-CB 3.46Å; M32-M35 PolarHBondContact O-N 2.87Å; M32-I36 WeakPolarHBondContact O-CG1 3.44Å; M32-I36 PolarHBondContact O-N 3.12Å
33L74.1Confident71.3Confident110 Ų110103.1 Ų103.158%0.57655%0.545SS*.Hα-helixtrans-62.6-34.7179.1-68.4170.3000112.5E29 S37E29-L33 WeakPolarHBondContact O-CG 3.48Å; E29-L33 PolarHBondContact O-N 3.4Å; L33-S37 WeakPolarHBondContact O-CB 3.37Å; L33-S37 PolarHBondContact O-N 3.25Å; L33-S37 PolarHBondContact O-OG 2.75Å
34K78Confident70Confident142 Ų142101.7 Ų101.762%0.61754%0.541SS*.Hα-helixtrans-65.9-39.9170.6-74.7167.6-175.3170.80112.4M30 A31 M32 S37 A38M30-K34 WeakPolarHBondContact O-CD 3.27Å; M30-K34 VanDerWaalsContact O-CG 3.26Å; M30-K34 WeakPolarHBondContact O-CG 3.41Å; M30-K34 PolarHBondContact O-N 3.46Å; M30-K34 VanDerWaalsContact O-N 3.17Å; A31-K34 PolarHBondContact O-N 3.42Å; M32-K34 VanDerWaalsContact C-N 3.29Å; M32-K34 PolarHBondContact O-N 3.44Å; K34-S37 WeakPolarHBondContact CA-OG 3.34Å; K34-S37 PolarHBondContact O-OG 3.34Å; K34-S37 VanDerWaalsContact O-OG 3.11Å; K34-A38 WeakPolarHBondContact O-CB 3.47Å; K34-A38 PolarHBondContact O-N 3.04Å
35M71.7Confident68.8Low143 Ų143106.9 Ų106.970%0.70455%0.553SS**Hα-helixtrans-67.6-40.6175.6-70.1-69-81.600112.6A31 M32 A38 S39A31-M35 WeakPolarHBondContact O-CG 3.38Å; A31-M35 PolarHBondContact O-N 3.06Å; M32-M35 WeakPolarHBondContact O-CB 3.46Å; M32-M35 PolarHBondContact O-N 2.87Å; M35-A38 PolarHBondContact O-N 2.88Å; M35-S39 WeakPolarHBondContact O-CB 3.46Å; M35-S39 PolarHBondContact O-N 3.03Å
36I71.3Confident67.6Low90 Ų90108.3 Ų108.346%0.46256%0.56SS.*Hα-helixtrans-65.9-46.1178.1-66.6163.2000110.8M32 S39 N40M32-I36 WeakPolarHBondContact O-CG1 3.44Å; M32-I36 PolarHBondContact O-N 3.12Å; I36-S39 WeakPolarHBondContact O-CB 3.44Å; I36-S39 PolarHBondContact O-N 3Å; I36-N40 PolarHBondContact O-N 3.13Å
37S69.1Low66.3Low65 Ų65107.6 Ų107.646%0.45557%0.567SS.*Hα-helixtrans-65.9-37.8176.751.40000112.6L33 K34 S39 N41L33-S37 WeakPolarHBondContact O-CB 3.37Å; L33-S37 PolarHBondContact O-N 3.25Å; L33-S37 PolarHBondContact O-OG 2.75Å; K34-S37 WeakPolarHBondContact CA-OG 3.34Å; K34-S37 PolarHBondContact O-OG 3.34Å; K34-S37 VanDerWaalsContact O-OG 3.11Å; S37-S39 VanDerWaalsContact C-N 3.32Å; S37-S39 PolarHBondContact O-N 2.92Å; S37-N41 WeakPolarHBondContact O-CB 3.36Å; S37-N41 PolarHBondContact O-N 2.93Å; S37-N41 VanDerWaalsContact O-N 3.12Å
38A63.6Low64.4Low47 Ų47113.9 Ų113.939%0.38858%0.581SS.*Hα-helixtrans-67.6-28.7172.700000113.6K34 M35K34-A38 WeakPolarHBondContact O-CB 3.47Å; K34-A38 PolarHBondContact O-N 3.04Å; M35-A38 PolarHBondContact O-N 2.88Å
39S62.5Low62Low67 Ų67110.7 Ų110.747%0.46958%0.584SS.*Hα-helixtrans-68.1-57.4171.1-172.80000110.7M35 I36 S37 N41 R42 T43M35-S39 WeakPolarHBondContact O-CB 3.46Å; M35-S39 PolarHBondContact O-N 3.03Å; I36-S39 WeakPolarHBondContact O-CB 3.44Å; I36-S39 PolarHBondContact O-N 3Å; S37-S39 VanDerWaalsContact C-N 3.32Å; S37-S39 PolarHBondContact O-N 2.92Å; S39-N41 PolarHBondContact O-N 3.41Å; S39-N41 VanDerWaalsContact O-N 3.15Å; S39-R42 WeakPolarHBondContact O-CB 3.21Å; S39-R42 PolarHBondContact O-N 3.22Å; S39-T43 PolarHBondContact O-N 2.99Å; S39-T43 PolarHBondContact O-OG1 3.27Å; S39-T43 VanDerWaalsContact O-OG1 3.11Å
40N58.3Low59.7Low101 Ų101108.3 Ų108.354%0.5460%0.596SS.*Hα-helixtrans-56.9-34.6-177.7-68.7-12.5000113.1I36 R42 T43 A44I36-N40 PolarHBondContact O-N 3.13Å; N40-R42 VanDerWaalsContact C-N 3.35Å; N40-T43 PolarHBondContact O-N 3.15Å; N40-A44 WeakPolarHBondContact O-CB 3.47Å; N40-A44 PolarHBondContact O-N 3.12Å
41N60.5Low57.4Low95 Ų95106.7 Ų106.751%0.50861%0.608SS.*Hα-helixtrans-71.7-26178.1-154-23.3000112.7S37 S39 R45S37-N41 WeakPolarHBondContact O-CB 3.36Å; S37-N41 PolarHBondContact O-N 2.93Å; S37-N41 VanDerWaalsContact O-N 3.12Å; S39-N41 PolarHBondContact O-N 3.41Å; S39-N41 VanDerWaalsContact O-N 3.15Å; N41-R45 WeakPolarHBondContact O-CB 3.18Å; N41-R45 WeakPolarHBondContact O-CG 3.5Å; N41-R45 PolarHBondContact O-N 3.22Å
42R56.4Low55.1Low187 Ų187109.7 Ų109.771%0.70663%0.625SS**Hα-helixtrans-72.9-45.2169.5-67.1-172.7-144.1-160.96111.4S39 N40 A44 R45 Q46S39-R42 WeakPolarHBondContact O-CB 3.21Å; S39-R42 PolarHBondContact O-N 3.22Å; N40-R42 VanDerWaalsContact C-N 3.35Å; R42-A44 VanDerWaalsContact C-N 3.34Å; R42-A44 PolarHBondContact O-N 3.26Å; R42-R45 PolarHBondContact O-N 3.02Å; R42-Q46 PolarHBondContact O-N 2.93Å; R42-Q46 VanDerWaalsContact O-N 3.08Å
43T55.1Low53.1Low81 Ų81108.4 Ų108.450%0.49763%0.63SS.*Hα-helixtrans-62.1-42.7178.3-80000111.3S39 N40 R45 Q46 A47S39-T43 PolarHBondContact O-N 2.99Å; S39-T43 PolarHBondContact O-OG1 3.27Å; S39-T43 VanDerWaalsContact O-OG1 3.11Å; N40-T43 PolarHBondContact O-N 3.15Å; T43-R45 PolarHBondContact O-N 3.07Å; T43-Q46 PolarHBondContact O-N 3.23Å; T43-A47 PolarHBondContact O-N 3.46Å
44A48Very low51.2Low49 Ų49109.4 Ų109.441%0.40564%0.64SS.*Hα-helixtrans-60.6-43175.800000112.7N40 R42 Q46 A47 Y48N40-A44 WeakPolarHBondContact O-CB 3.47Å; N40-A44 PolarHBondContact O-N 3.12Å; R42-A44 VanDerWaalsContact C-N 3.34Å; R42-A44 PolarHBondContact O-N 3.26Å; A44-Q46 VanDerWaalsContact C-N 3.3Å; A44-Q46 PolarHBondContact O-N 3.47Å; A44-A47 PolarHBondContact O-N 3.24Å; A44-Y48 PolarHBondContact O-N 3.41Å; A44-Y48 VanDerWaalsContact O-N 3.07Å
45R51.4Low48.8Very low201 Ų201108.5 Ų108.576%0.75864%0.642SS**Hα-helixtrans-70.2-20.5177.1-76.3-176.3175.2-150.4-4.1114.4N41 R42 T43N41-R45 WeakPolarHBondContact O-CB 3.18Å; N41-R45 WeakPolarHBondContact O-CG 3.5Å; N41-R45 PolarHBondContact O-N 3.22Å; R42-R45 PolarHBondContact O-N 3.02Å; T43-R45 PolarHBondContact O-N 3.07Å
46Q50.6Low46.9Very low170 Ų170109.5 Ų109.579%0.79465%0.645SS**Hα-helixtrans-83.4-29.9170.2-73.4-177.4-30.700112.6R42 T43 A44R42-Q46 PolarHBondContact O-N 2.93Å; R42-Q46 VanDerWaalsContact O-N 3.08Å; T43-Q46 PolarHBondContact O-N 3.23Å; A44-Q46 VanDerWaalsContact C-N 3.3Å; A44-Q46 PolarHBondContact O-N 3.47Å
47A49.8Very low44.9Very low69 Ų69114.9 Ų114.957%0.5767%0.665SS**Hα-helixtrans-79.1-32.9179.800000114T43 A44T43-A47 PolarHBondContact O-N 3.46Å; A44-A47 PolarHBondContact O-N 3.24Å
48Y39.4Very low43.4Very low203 Ų203116.9 Ų116.980%0.79668%0.676SS**  trans-120.871.1-173.4-68.3-80.1000112.8A44A44-Y48 PolarHBondContact O-N 3.41Å; A44-Y48 VanDerWaalsContact O-N 3.07Å
49G28.9Very low42Very low73 Ų73122.5 Ų122.575%0.75370%0.7SS**  trans-82.5125.5166.800000111.9
50G29.6Very low40.8Very low87 Ų87127 Ų12790%0.89772%0.717SS**  trans81.493.1167.800000115.4
51G30.6Very low39.5Very low75 Ų75125.2 Ų125.277%0.77372%0.723SS**  trans-163.761.1178.500000112.8S53G51-S53 PolarHBondContact O-N 3.06Å
52S31.8Very low38.4Very low114 Ų114127.4 Ų127.480%0.79774%0.739SS**  trans-77.3102.6178.1-178.60000110.9
53S34.3Very low37.5Very low108 Ų108122.6 Ų122.676%0.75574%0.739SS**  trans-141.983.6171.2-57.70000109.5G51 D55G51-S53 PolarHBondContact O-N 3.06Å; S53-D55 PolarHBondContact O-N 2.91Å
54T33.7Very low36.7Very low130 Ų130124.4 Ų124.480%0.79875%0.751SS**  trans-78.997.7175.5470000110
55D29Very low36.2Very low124 Ų124129.7 Ų129.766%0.66377%0.771SS**  trans-137.8128.5176.3-96.6-57000113.8S53S53-D55 PolarHBondContact O-N 2.91Å
56H30.3Very low35.5Very low163 Ų163125.3 Ų125.376%0.75577%0.771SS**  trans49.668.3147.8-6882.9000119P58H56-P58 WeakPolarHBondContact O-CD 3.39Å
57F30.5Very low34.7Very low204 Ų204120.7 Ų120.790%0.89577%0.769SS**  trans-87.7104.9140.1-87.3-84.2000109.2N59F57-N59 PolarHBondContact O-N 3.08Å
58P37.6Very low34.1Very low106 Ų106124.1 Ų124.169%0.68878%0.776SS**  trans-69.4131172.728.7-33.2000109.8H56 I60H56-P58 WeakPolarHBondContact O-CD 3.39Å; P58-I60 PolarHBondContact O-N 3.14Å
59N34.2Very low34.1Very low166 Ų166119.7 Ų119.789%0.88878%0.775SS**  trans-64.1109.6175.3-76.2-78.4000109.8F57 G61F57-N59 PolarHBondContact O-N 3.08Å; N59-G61 PolarHBondContact O-N 3.49Å
60I36.3Very low34.4Very low162 Ų162123.7 Ų123.783%0.83178%0.779SS**  trans-67.9106169.2-62.3177.7000107.1P58 V62P58-I60 PolarHBondContact O-N 3.14Å; I60-V62 PolarHBondContact O-N 2.87Å
61G32.4Very low34.7Very low63 Ų63128.4 Ų128.465%0.64978%0.778SS**  trans-58.9134.3-178.600000111.5N59 A63N59-G61 PolarHBondContact O-N 3.49Å; G61-A63 VanDerWaalsContact C-N 3.33Å; G61-A63 PolarHBondContact O-N 3.42Å
62V36.4Very low35.1Very low140 Ų140132.2 Ų132.285%0.84878%0.779SS**  trans-72.588.5179.5-175.20000109.1I60 T64I60-V62 PolarHBondContact O-N 2.87Å; V62-T64 PolarHBondContact O-N 3.46Å; V62-T64 VanDerWaalsContact O-N 3.17Å
63A36.7Very low34.9Very low86 Ų86131 Ų13171%0.71179%0.785SS**  trans-62.3113.9172.300000109.4G61 L65G61-A63 VanDerWaalsContact C-N 3.33Å; G61-A63 PolarHBondContact O-N 3.42Å; A63-L65 PolarHBondContact O-N 3.5Å
64T38.5Very low34.8Very low120 Ų120129.5 Ų129.574%0.73679%0.786SS**  trans-67.8119.8-176.345.90000110.8V62 S66V62-T64 PolarHBondContact O-N 3.46Å; V62-T64 VanDerWaalsContact O-N 3.17Å; T64-S66 PolarHBondContact O-N 3Å
65L38.6Very low34.7Very low159 Ų159126 Ų12683%0.83278%0.776SS**  trans-73.565.2-175.8-73168.2000112.7A63A63-L65 PolarHBondContact O-N 3.5Å
66S36.1Very low35Very low110 Ų110128.8 Ų128.877%0.76979%0.79SS**  trans-122.458.6-175.4-560000111.4T64T64-S66 PolarHBondContact O-N 3Å
67G33.5Very low35.4Very low72 Ų72126.1 Ų126.174%0.74279%0.787SS**SBendtrans179.524.6-177.300000119.5
68I38.2Very low36.1Very low142 Ų142121.7 Ų121.773%0.72878%0.776SS**  trans-124.226.6-176.561171.2000114.9
69S37.9Very low36.5Very low109 Ų109120 Ų12076%0.76278%0.777SS**SBendtrans-87.7-25.4-177.3-58.20000115.2
70D37.2Very low37.5Very low157 Ų157115.1 Ų115.184%0.8476%0.756SS**SBendtrans-108.419.1-162.3-65.8-55.8000115.7
71Q35.2Very low37.9Very low187 Ų187110.9 Ų110.987%0.87474%0.74SS**  trans-133.448.4178.7-71.6-162-21.600115.1
72I37.9Very low39.1Very low154 Ų154117.1 Ų117.179%0.7974%0.744SS**  trans-126.443160.5-39.9-177.6000110.9G74I72-G74 VanDerWaalsContact C-N 3.34Å; I72-G74 PolarHBondContact O-N 3.16Å; I72-G74 VanDerWaalsContact O-N 3.12Å
73G29.6Very low40Very low90 Ų90115.3 Ų115.393%0.92874%0.735SS**  trans-81.671.317200000112.4
74G30.5Very low41Very low76 Ų76111.5 Ų111.578%0.78470%0.704SS**SBendtrans134.688.6173.300000114.3I72I72-G74 VanDerWaalsContact C-N 3.34Å; I72-G74 PolarHBondContact O-N 3.16Å; I72-G74 VanDerWaalsContact O-N 3.12Å
75G32.3Very low42.3Very low56 Ų56111.4 Ų111.458%0.57770%0.698SS**  trans-167.5114.5171.400000112.7P77G75-P77 VanDerWaalsContact C-CD 3.41Å; G75-P77 VanDerWaalsContact O-CD 3.28Å; G75-P77 WeakPolarHBondContact O-CD 3.37Å
76L35.4Very low43.5Very low183 Ų183107.2 Ų107.296%0.95868%0.68SS**  trans-88.7102.1154.8-91.173.7000108.3
77P39.3Very low45.1Very low107 Ų107102.3 Ų102.370%0.69565%0.646SS**  trans-117.1165.413039.7-33.6000108.3G75G75-P77 VanDerWaalsContact C-CD 3.41Å; G75-P77 VanDerWaalsContact O-CD 3.28Å; G75-P77 WeakPolarHBondContact O-CD 3.37Å
78V44.4Very low46.8Very low111 Ų111105.8 Ų105.867%0.67364%0.637SS**  cis-136.9126.122.1-176.80000109.6C80V78-C80 PolarHBondContact O-N 3.41Å
79G46.9Very low48Very low69 Ų69102.9 Ų102.971%0.71163%0.627SS**  trans-7510515600000108.3C81G79-C81 PolarHBondContact O-N 3.41Å
80C53.8Low49.5Very low64 Ų6497.9 Ų97.943%0.43259%0.593SS.*  trans-68.321.4-166.4-67.60000116.6V78 R82 P263 C266V78-C80 PolarHBondContact O-N 3.41Å; C80-R82 PolarHBondContact O-N 3.28Å; C80-P263 WeakPolarHBondContact O-CD 3.21Å; C80-C266 HydrophobicContact CB-CB 4.35Å; C80-C266 VanDerWaalsContact CB-SG 3.51Å
81C46.1Very low50.9Low73 Ų7394.7 Ų94.749%0.49358%0.581SS.*  trans-76.397.5168.4-63.30000109.7G79 P83G79-C81 PolarHBondContact O-N 3.41Å; C81-P83 WeakPolarHBondContact O-CD 3.44Å
82R57Low52.1Low195 Ų19591 Ų9174%0.73657%0.567SS**BIsolated β-bridgetrans-64.8124168.3-169.6178.9-174.2-157.51.5108.4C80C80-R82 PolarHBondContact O-N 3.28Å
83P56Low53.1Low102 Ų10284 Ų8466%0.66253%0.534SS*.PPolyproline II helixtrans-55.8152.2179.4-27.335.7000112.4C81C81-P83 WeakPolarHBondContact O-CD 3.44Å
84G56.7Low54.8Low5 Ų586.1 Ų86.15%0.05252%0.522CS..PPolyproline II helixtrans-53.4140.7173.500000112.2G132 T258 G260G84-G132 WeakPolarHBondContact O-CA 3.43Å; G84-T258 WeakPolarHBondContact CA-O 3.46Å; G84-G260 VanDerWaalsContact CA-CA 3.47Å
85I65.1Low56.2Low119 Ų11985.9 Ų85.961%0.6151%0.508SS*.PPolyproline II helixtrans-56.1130.7168.7-57.5176.2000106.4G257 T258I85-G257 CarbonylContact O-C 3.44Å; I85-G257 WeakPolarHBondContact O-CA 3.3Å; I85-T258 PolarHBondContact O-N 3.29Å; I85-T258 VanDerWaalsContact O-N 3.08Å
86P64Low57.3Low71 Ų7183.5 Ų83.546%0.46148%0.484SS..PPolyproline II helixtrans-52.1160.2-179.8-28.134.9000112.8P133P86-P133 WeakPolarHBondContact CA-O 3.19Å; P86-P133 HydrophobicContact CB-CG 4.13Å; P86-P133 HydrophobicContact CG-CG 4Å
87G69.5Low58.3Low6 Ų682.5 Ų82.56%0.06247%0.474CS..PPolyproline II helixtrans-48.5145.8176.500000112.4P133 G135 P255G87-P133 PolarHBondContact N-O 3.48Å; G87-G135 VanDerWaalsContact CA-CA 3.45Å; G87-G135 WeakPolarHBondContact O-CA 3.45Å; G87-P255 WeakPolarHBondContact CA-O 3.45Å
88R69.1Low59.4Low146 Ų14684.1 Ų84.155%0.55147%0.473SS*.PPolyproline II helixtrans-53.5140.1158-66.7-172.1-176.2-127.3-1.9107V123 G254R88-V123 PolarHBondContact NH2-O 2.75Å; R88-G254 WeakPolarHBondContact O-CA 3.31Å
89P65Low59.8Low80 Ų8079.2 Ų79.252%0.51944%0.444SS..PPolyproline II helixtrans-48.5146.2175.3-26.633.9000110.7P136P89-P136 WeakPolarHBondContact CA-O 3.44Å; P89-P136 HydrophobicContact CB-CG 4.31Å; P89-P136 HydrophobicContact CG-CG 4.12Å
90G69Low60.2Low5 Ų585.8 Ų85.85%0.05245%0.448CS..PPolyproline II helixtrans-58.6166.8-178.100000113.4N92 P136 G138 E252 G254G90-N92 PolarHBondContact O-N 3.11Å; G90-P136 PolarHBondContact N-O 3.06Å; G90-P136 VanDerWaalsContact N-O 3.12Å; G90-G138 WeakPolarHBondContact O-CA 3.39Å; G90-E252 WeakPolarHBondContact CA-O 3.37Å; G90-G254 VanDerWaalsContact CA-CA 3.49Å
91P65.9Low60.2Low90 Ų9086.9 Ų86.958%0.58445%0.454SS*.PPolyproline II helixtrans-53.3141.1171.226.9-34.7000109G93 G251P91-G93 PolarHBondContact O-N 3.42Å; P91-G251 VanDerWaalsContact O-CA 3.27Å; P91-G251 WeakPolarHBondContact O-CA 3.4Å
92N59.9Low60.4Low109 Ų10983.7 Ų83.758%0.58343%0.434SS*.PPolyproline II helixtrans-50.3143.4173.6-61.78.5000109.5G90 P139G90-N92 PolarHBondContact O-N 3.11Å; N92-P139 HydrophobicContact CB-CG 4.48Å; N92-P139 WeakPolarHBondContact OD1-CG 3.41Å
93G59.5Low60.3Low8 Ų882.2 Ų82.28%0.08243%0.432CS..PPolyproline II helixtrans-56.2158.8178.300000113P91 P139 G141 P249P91-G93 PolarHBondContact O-N 3.42Å; G93-P139 PolarHBondContact N-O 3.18Å; G93-G141 WeakPolarHBondContact O-CA 3.44Å; G93-P249 WeakPolarHBondContact CA-O 3.48Å
94I64.7Low59.9Low134 Ų13481.2 Ų81.269%0.68743%0.426SS*.PPolyproline II helixtrans-54.6143.817159.7175.9000109.9G96 G248 P249I94-G96 PolarHBondContact O-N 3.37Å; I94-G248 VanDerWaalsContact O-CA 3.24Å; I94-G248 WeakPolarHBondContact O-CA 3.39Å; I94-P249 HydrophobicContact CD1-CG 4.29Å; I94-P249 HydrophobicContact CG1-CG 3.73Å
95S60.6Low59.4Low70 Ų7082 Ų8249%0.4944%0.435SS..PPolyproline II helixtrans-54.3137.9176.6-164.20000110.1P142S95-P142 PolarHBondContact OG-O 3.31Å
96G56.6Low58.6Low7 Ų784.4 Ų84.47%0.07245%0.445CS..PPolyproline II helixtrans-66.6164.8-17800000112.9I94 H98 P142 G144 L246I94-G96 PolarHBondContact O-N 3.37Å; G96-H98 PolarHBondContact O-N 2.96Å; G96-P142 PolarHBondContact N-O 2.97Å; G96-P142 VanDerWaalsContact N-O 3.15Å; G96-G144 VanDerWaalsContact O-CA 3.24Å; G96-G144 WeakPolarHBondContact O-CA 3.44Å; G96-L246 WeakPolarHBondContact CA-O 3.26Å
97E56.4Low57.5Low161 Ų16186.4 Ų86.475%0.75246%0.458SS*.PPolyproline II helixtrans-55.2135.8179.1-66.3-167.5139.100111.4G99 G245 L246E97-G99 PolarHBondContact O-N 3.08Å; E97-G245 WeakPolarHBondContact O-CA 3.5Å; E97-L246 PolarHBondContact O-N 3.09Å
98H60.5Low56.1Low142 Ų14289.6 Ų89.666%0.65749%0.491SS*.PPolyproline II helixtrans-50.7133175.5-66.881.6000110.2G96G96-H98 PolarHBondContact O-N 2.96Å
99G53Low54.8Low8 Ų894.3 Ų94.38%0.08251%0.509CS..PPolyproline II helixtrans-65154.6-176.200000112.3E97 E145 G147 H243E97-G99 PolarHBondContact O-N 3.08Å; G99-E145 PolarHBondContact N-O 3.22Å; G99-G147 WeakPolarHBondContact O-CA 3.26Å; G99-G147 PolarHBondContact O-N 2.77Å; G99-H243 VanDerWaalsContact CA-O 3.29Å; G99-H243 WeakPolarHBondContact CA-O 3.12Å
100R56.4Low53.6Low206 Ų20696.7 Ų96.778%0.77752%0.524SS*.PPolyproline II helixtrans-62.2140.5-176.3-67.1-171.9178.9-150.3-1.9110.8G242 H243R100-G242 WeakPolarHBondContact O-CA 3.33Å; R100-H243 PolarHBondContact O-N 3.15Å; R100-H243 VanDerWaalsContact O-N 3.14Å
101P53.2Low51.9Low88 Ų88100.2 Ų100.257%0.57156%0.56SS**PPolyproline II helixtrans-48.9142.8178.5-29.134.6000112.9P148P101-P148 WeakPolarHBondContact CA-O 3.2Å; P101-P148 HydrophobicContact CB-CG 4.13Å; P101-P148 HydrophobicContact CG-CG 4.03Å
102G50.1Low50.2Low6 Ų6107.7 Ų107.76%0.06258%0.577CS.*PPolyproline II helixtrans-66.1147.2-173.700000112.5P148 G150 G240 P241G102-P148 PolarHBondContact N-O 3.08Å; G102-G150 WeakPolarHBondContact O-CA 3.47Å; G102-G150 PolarHBondContact O-N 2.99Å; G102-G240 WeakPolarHBondContact CA-O 3.45Å; G102-P241 WeakPolarHBondContact CA-O 3.42Å
103K54.5Low49.3Very low163 Ų163110 Ų11071%0.70959%0.588SS**PPolyproline II helixtrans-64.4142.6171-64.2-177.3-178.9179.90109.3G105 G239 G240K103-G105 PolarHBondContact O-N 3.44Å; K103-G239 CarbonylContact O-C 3.58Å; K103-G239 VanDerWaalsContact O-CA 3.31Å; K103-G239 WeakPolarHBondContact O-CA 3.17Å; K103-G240 PolarHBondContact O-N 3.17Å
104P49.2Very low48Very low81 Ų81114.9 Ų114.953%0.52662%0.62SS.*PPolyproline II helixtrans-46.7130.9167.9-29.537.1000110.7T151P104-T151 WeakPolarHBondContact CB-O 3.42Å
105G45.8Very low46.7Very low23 Ų23115 Ų11524%0.23762%0.622CS.*  trans-86.2-170.6-161.800000113.9K103 P237 P238K103-G105 PolarHBondContact O-N 3.44Å; G105-P237 WeakPolarHBondContact O-CG 2.97Å; G105-P238 VanDerWaalsContact CA-O 3.27Å; G105-P238 WeakPolarHBondContact CA-O 3.33Å; G105-P238 PolarHBondContact N-O 3.29Å
106M47.7Very low46Very low168 Ų168118.9 Ų118.983%0.82864%0.637SS**  trans-129.6152176.1-62.4-177.772.300109.8G108 P237M106-G108 PolarHBondContact O-N 3.35Å; M106-G108 VanDerWaalsContact O-N 3.14Å; M106-P237 VanDerWaalsContact C-CG 3.45Å
107P42Very low45.1Very low114 Ų114127.5 Ų127.574%0.7468%0.675SS**  trans-62.8117.1-163.6-26.336.7000113.2P237P107-P237 HydrophobicContact CG-CG 4.15Å
108G38.3Very low44.2Very low72 Ų72124.6 Ų124.674%0.74267%0.671SS**  trans-84.1166.5-165.900000116.2M106M106-G108 PolarHBondContact O-N 3.35Å; M106-G108 VanDerWaalsContact O-N 3.14Å
109R42Very low43.2Very low246 Ų246126 Ų12693%0.92868%0.676SS**  trans-134.8155.6170-71.3-173.4171.5-155.8-2.1110.4
110P40.2Very low42.8Very low130 Ų130131.5 Ų131.584%0.84471%0.708SS**  trans-127.9151.4-149.930.3-10.1000118.8
111G32.5Very low42Very low79 Ų79128.1 Ų128.181%0.81471%0.71SS**  trans94.3157.515600000118
112R31.2Very low41.7Very low247 Ų247128.8 Ų128.893%0.93271%0.714SS**  cis-164.3154-20.5-149.7175.5-169.6-117.33.3109.5
113I40.2Very low41.1Very low158 Ų158134.3 Ų134.381%0.8175%0.746SS**  trans-156.4166.1-16241.7168.2000117
114S32.9Very low40.3Very low109 Ų109134 Ų13476%0.76275%0.751SS**  trans-167.2159162.4-94.90000109.4
115L37.5Very low39.9Very low137 Ų137133.9 Ų133.972%0.71775%0.75SS**  cis83.8119.811.2-70.679.6000116.8
116N46.3Very low39.4Very low152 Ų152137.4 Ų137.481%0.81377%0.77SS**  cis92.4133.59.4-49-5.4000118.3
117H37.2Very low39.3Very low188 Ų188134.6 Ų134.687%0.8776%0.764SS**  trans-171.7-175.7177.8-108.651.8000111.3
118C37Very low39.4Very low100 Ų100133.7 Ų133.768%0.67677%0.766SS**  cis-175-176.1-48.1-146.60000108.1
119K40.6Very low39.9Very low171 Ų171131.3 Ų131.374%0.74374%0.738SS**  cis-170.7158.62.4-158.3168.6-176.91750113.1
120T45.4Very low40.3Very low123 Ų123124.2 Ų124.276%0.75572%0.723SS**  trans67.6175.4159.426.40000119.8
121V39.3Very low41.1Very low136 Ų136120.9 Ų120.982%0.82470%0.702SS**  cis-148.6173.719.1-108.60000114.1
122P46.4Very low42.3Very low101 Ų101117.3 Ų117.366%0.65667%0.665SS**  trans-127.4179.9-173.743.7-30.3000119.4
123V37.7Very low43.9Very low122 Ų122109.1 Ų109.174%0.73964%0.644SS**  trans-134.1-170.7178.3-141.70000115.4R88R88-V123 PolarHBondContact NH2-O 2.75Å
124I37.1Very low44.9Very low158 Ų158105.2 Ų105.281%0.8163%0.629SS**  trans-133156.9-148.5-59166000116.1
125P41.3Very low46.3Very low78 Ų78100.1 Ų100.151%0.50659%0.593SS.*  trans-131.9-172.9-171.243.8-26.7000120.1T258P125-T258 HydrophobicContact CB-CG2 3.52Å; P125-T258 HydrophobicContact CG-CG2 3.91Å
126C35.4Very low47.4Very low96 Ų9697.2 Ų97.265%0.64958%0.583SS**  trans-132.9175.3-171.2-700000116.4
127P44.2Very low48.1Very low110 Ų11093.9 Ų93.971%0.71457%0.569SS**  trans-129.517.9-15545.4-32.3000122.8P259P127-P259 WeakPolarHBondContact O-CB 3.34Å
128A45.2Very low49.2Very low95 Ų9585 Ų8579%0.78553%0.529SS*.  trans-101.9-17.4-161.800000121.9P259A128-P259 VanDerWaalsContact N-CB 3.28Å
129C48.9Very low50.1Low21 Ų2183.7 Ų83.714%0.14252%0.519CS..SBendtrans-106.2177.5179.9-66.90000113.1P131 P259 G260 C262C129-P131 VanDerWaalsContact O-N 3.12Å; C129-P259 WeakPolarHBondContact O-CA 3.32Å; C129-P259 VanDerWaalsContact O-CB 3.26Å; C129-P259 WeakPolarHBondContact O-CB 3.39Å; C129-G260 VanDerWaalsContact CB-C 3.46Å; C129-G260 VanDerWaalsContact CB-O 3.24Å; C129-G260 WeakPolarHBondContact CB-O 3.39Å; C129-G260 VanDerWaalsContact SG-C 3.56Å; C129-G260 PolarHBondContact SG-O 3.34Å; C129-C262 PolarHBondContact SG-N 3.24Å; C129-C262 PolarHBondContact SG-SG 2.98Å
130P51.1Low51Low97 Ų9778.2 Ų78.263%0.6351%0.506SS*.SBendtrans-41.9122.1162.414-31.8000111.1G260P130-G260 PolarHBondContact O-N 3.45Å
131P55.2Low51.6Low61 Ų6172.5 Ų72.540%0.39647%0.471SS..BIsolated β-bridgetrans-67.8142179.4-4.820.1000109.3C129 L256 G257 P259C129-P131 VanDerWaalsContact O-N 3.12Å; P131-L256 HydrophobicContact CB-CB 4.35Å; P131-L256 HydrophobicContact CB-CD2 3.77Å; P131-L256 HydrophobicContact CB-CG 3.85Å; P131-L256 HydrophobicContact CG-CD2 3.82Å; P131-L256 HydrophobicContact CG-CG 4.46Å; P131-G257 WeakPolarHBondContact CA-O 3.48Å; P131-G257 WeakPolarHBondContact CB-O 3.23Å; P131-P259 HydrophobicContact CB-CG 4.05Å; P131-P259 HydrophobicContact CG-CG 4.15Å
132G59.4Low52.4Low3 Ų369.8 Ų69.83%0.03146%0.457CS..PPolyproline II helixtrans-58.5166.5-173.800000113G84 L256 G257 T258G84-G132 WeakPolarHBondContact O-CA 3.43Å; G132-L256 WeakPolarHBondContact O-CD1 3.49Å; G132-L256 VanDerWaalsContact O-CG 3.26Å; G132-L256 WeakPolarHBondContact O-CG 3.3Å; G132-G257 PolarHBondContact N-O 2.77Å; G132-G257 WeakPolarHBondContact O-CA 3.5Å; G132-G257 PolarHBondContact O-N 3.2Å; G132-T258 PolarHBondContact N-O 3.11Å
133P63.4Low53.4Low76 Ų7668.5 Ų68.549%0.49445%0.447SS..SBendtrans-55.3152.9176.125.5-34.2000111.1P86 G87 G135P86-P133 WeakPolarHBondContact CA-O 3.19Å; P86-P133 HydrophobicContact CB-CG 4.13Å; P86-P133 HydrophobicContact CG-CG 4Å; G87-P133 PolarHBondContact N-O 3.48Å; P133-G135 PolarHBondContact O-N 3.01Å
134P61.7Low54.6Low75 Ų7562.7 Ų62.749%0.48741%0.412SS..PPolyproline II helixtrans-49.6143.7178.9-27.335.5000111.3A253 G254 L256P134-A253 HydrophobicContact CB-CB 4.37Å; P134-G254 WeakPolarHBondContact CB-O 3.24Å; P134-L256 HydrophobicContact CG-CD1 3.8Å
135G61.4Low55.9Low2 Ų261.5 Ų61.52%0.02140%0.403CS..BIsolated β-bridgetrans-59.8150177.300000110.1G87 P133 G254 P255G87-G135 VanDerWaalsContact CA-CA 3.45Å; G87-G135 WeakPolarHBondContact O-CA 3.45Å; P133-G135 PolarHBondContact O-N 3.01Å; G135-G254 PolarHBondContact N-O 3.35Å; G135-G254 VanDerWaalsContact N-O 3.14Å; G135-G254 PolarHBondContact O-N 3.28Å; G135-P255 PolarHBondContact N-O 3.41Å
136P61.2Low57.1Low76 Ų7661.5 Ų61.549%0.49440%0.403SS..PPolyproline II helixtrans-55151.6172.926.1-34.4000109.9P89 G90 G138P89-P136 WeakPolarHBondContact CA-O 3.44Å; P89-P136 HydrophobicContact CB-CG 4.31Å; P89-P136 HydrophobicContact CG-CG 4.12Å; G90-P136 PolarHBondContact N-O 3.06Å; G90-P136 VanDerWaalsContact N-O 3.12Å; P136-G138 PolarHBondContact O-N 2.97Å
137P61.3Low58.4Low82 Ų8257.1 Ų57.153%0.53237%0.374SS..  trans-43.4136.9173.6-32.237.6000111.9A250 G251P137-A250 HydrophobicContact CB-CB 4.34Å; P137-G251 WeakPolarHBondContact CB-O 3.4Å
138G59.5Low59.3Low2 Ų255.8 Ų55.82%0.02137%0.365CS..PPolyproline II helixtrans-55.2150.117400000110.9G90 P136 G251 E252G90-G138 WeakPolarHBondContact O-CA 3.39Å; P136-G138 PolarHBondContact O-N 2.97Å; G138-G251 PolarHBondContact N-O 2.88Å; G138-G251 PolarHBondContact O-N 3.22Å; G138-E252 PolarHBondContact N-O 3.38Å; G138-E252 VanDerWaalsContact N-O 3.16Å
139P56.4Low60.3Low72 Ų7255.7 Ų55.747%0.46836%0.357SS..PPolyproline II helixtrans-57.5153.5176.627.5-35000110.4N92 G93 G141N92-P139 HydrophobicContact CB-CG 4.48Å; N92-P139 WeakPolarHBondContact OD1-CG 3.41Å; G93-P139 PolarHBondContact N-O 3.18Å; P139-G141 PolarHBondContact O-N 2.74Å
140A60.4Low60.9Low57 Ų5755.3 Ų55.347%0.47136%0.356SS..PPolyproline II helixtrans-47.5137.117700000111
141G58.1Low61.5Low3 Ų356.2 Ų56.23%0.03136%0.36CS..PPolyproline II helixtrans-56151.6177.300000111.8G93 P139 T143 G248 P249G93-G141 WeakPolarHBondContact O-CA 3.44Å; P139-G141 PolarHBondContact O-N 2.74Å; G141-T143 PolarHBondContact O-N 2.94Å; G141-G248 PolarHBondContact O-N 2.99Å; G141-P249 PolarHBondContact N-O 3.06Å; G141-P249 VanDerWaalsContact N-O 3.09Å
142P54.9Low61.8Low79 Ų7955.3 Ų55.351%0.51336%0.355SS..PPolyproline II helixtrans-54.2144.817924.7-33.8000110.6S95 G96 G144S95-P142 PolarHBondContact OG-O 3.31Å; G96-P142 PolarHBondContact N-O 2.97Å; G96-P142 VanDerWaalsContact N-O 3.15Å; P142-G144 PolarHBondContact O-N 3.05Å
143T67.3Low61.8Low73 Ų7358.1 Ų58.145%0.44838%0.378SS..PPolyproline II helixtrans-51.6126.2175.4-47.20000109.9G141 L244 G245G141-T143 PolarHBondContact O-N 2.94Å; T143-L244 HydrophobicContact CG2-CB 3.87Å; T143-G245 WeakPolarHBondContact CG2-O 3.45Å
144G62.4Low61.5Low0 Ų064 Ų640%040%0.396CS..PPolyproline II helixtrans-55.1149.6-179.200000112.5G96 P142 G245 L246G96-G144 VanDerWaalsContact O-CA 3.24Å; G96-G144 WeakPolarHBondContact O-CA 3.44Å; P142-G144 PolarHBondContact O-N 3.05Å; G144-G245 WeakPolarHBondContact O-CA 3.46Å; G144-G245 PolarHBondContact O-N 3.47Å; G144-L246 PolarHBondContact N-O 3.31Å; G144-L246 VanDerWaalsContact N-O 3.1Å
145E66Low61.3Low133 Ų13365 Ų6562%0.62140%0.402SS*.PPolyproline II helixtrans-58.2150.3-174.5-65.3-161.3152.400112.1G99 G147G99-E145 PolarHBondContact N-O 3.22Å; E145-G147 PolarHBondContact O-N 3.45Å
146P66.4Low61Low78 Ų7867.5 Ų67.551%0.50643%0.429SS..PPolyproline II helixtrans-56.5133176-19.729.9000110.9L244P146-L244 HydrophobicContact CG-CD2 4.12Å
147G61.5Low60.4Low4 Ų470.5 Ų70.54%0.04145%0.446CS..PPolyproline II helixtrans-56.3154.4175.500000113G99 E145 G242 H243G99-G147 WeakPolarHBondContact O-CA 3.26Å; G99-G147 PolarHBondContact O-N 2.77Å; E145-G147 PolarHBondContact O-N 3.45Å; G147-G242 VanDerWaalsContact O-CA 3.22Å; G147-G242 WeakPolarHBondContact O-CA 3.42Å; G147-G242 PolarHBondContact O-N 3.15Å; G147-H243 PolarHBondContact N-O 2.97Å
148P64.1Low60Low82 Ų8271.9 Ų71.953%0.53245%0.449SS..PPolyproline II helixtrans-59.8149.6-177.524.4-34.2000111.8P101 G102 G150P101-P148 WeakPolarHBondContact CA-O 3.2Å; P101-P148 HydrophobicContact CB-CG 4.13Å; P101-P148 HydrophobicContact CG-CG 4.03Å; G102-P148 PolarHBondContact N-O 3.08Å; P148-G150 PolarHBondContact O-N 3.12Å
149P66.1Low59.5Low94 Ų9474 Ų7461%0.6147%0.471SS*.PPolyproline II helixtrans-57.9134.5177.8-23.833.7000111.9
150G61.1Low59.1Low13 Ų1376.8 Ų76.813%0.13449%0.486CS..PPolyproline II helixtrans-56.4150.9171.900000113.5G102 P148 G239G102-G150 WeakPolarHBondContact O-CA 3.47Å; G102-G150 PolarHBondContact O-N 2.99Å; P148-G150 PolarHBondContact O-N 3.12Å; G150-G239 VanDerWaalsContact O-CA 3.27Å; G150-G239 WeakPolarHBondContact O-CA 3.48Å; G150-G239 PolarHBondContact O-N 2.94Å
151T62.9Low58.6Low115 Ų11579.8 Ų79.871%0.70650%0.501SS*.PPolyproline II helixtrans-68145.2179.747.10000112.1P104P104-T151 WeakPolarHBondContact CB-O 3.42Å
152S62.6Low58.2Low43 Ų4381.8 Ų81.830%0.30152%0.521SS..PPolyproline II helixtrans-58.5144.7171.4-74.60000111.4K235 G236S152-K235 WeakPolarHBondContact OG-CE 3.45Å; S152-G236 WeakPolarHBondContact CB-O 3.26Å; S152-G236 PolarHBondContact OG-O 3.5Å
153A58.9Low57.8Low62 Ų6285.4 Ų85.451%0.51254%0.535SS..PPolyproline II helixtrans-57.4148.7173.200000112
154K57.2Low57.3Low198 Ų19887.8 Ų87.886%0.86155%0.552SS**PPolyproline II helixtrans-60.2148.6177.1-68.7-175.6177.2-177.90110.9
155P57.1Low56.9Low96 Ų9690.4 Ų90.462%0.62358%0.579SS**PPolyproline II helixtrans-55.6152.6169.8-23.834.4000112.2
156G55Low56.5Low56 Ų5690.3 Ų90.358%0.57759%0.588SS**PPolyproline II helixtrans-62.1153.1172.100000112.5
157T50.1Low56.1Low139 Ų13991.2 Ų91.285%0.85360%0.602SS**PPolyproline II helixtrans-68.6151.5175.848.90000111.8
158D52Low55.9Low111 Ų11193.6 Ų93.659%0.59463%0.627SS**PPolyproline II helixtrans-61.6157.6172.4-76.8-65.3000113K229D158-K229 IonicContact OD1-NZ 3.86Å; D158-K229 PolarHBondContact OD1-NZ 2.95Å; D158-K229 IonicContact OD2-NZ 3.88Å
159G48.7Very low55.7Low47 Ų4797.7 Ų97.749%0.48564%0.642SS.*PPolyproline II helixtrans-71.6155.2178.800000112.9
160V48.5Very low55.7Low129 Ų12999.8 Ų99.878%0.78265%0.654SS**PPolyproline II helixtrans-67.6148.3176.2-70.90000112
161P50.4Low55.6Low121 Ų121101.4 Ų101.479%0.78667%0.67SS**PPolyproline II helixtrans-58.5154.5175.5-25.135.1000113.9
162G48.6Very low55.6Low45 Ų45101.8 Ų101.846%0.46468%0.675SS.*PPolyproline II helixtrans-68.1158.4173.100000113
163L47.7Very low55.7Low154 Ų154105.8 Ų105.881%0.80670%0.699SS**PPolyproline II helixtrans-71.9152.2178.5-63.9176000112
164P55.9Low55.7Low123 Ų123105.5 Ų105.580%0.79970%0.703SS**PPolyproline II helixtrans-59.5152.7171.9-23.134.4000113.2
165G54Low56Low55 Ų55104 Ų10457%0.56770%0.703SS**PPolyproline II helixtrans-69.8157.2172.600000113
166T56.8Low56.3Low132 Ų132105 Ų10581%0.8171%0.709SS**PPolyproline II helixtrans-76.4153.4176.151.20000112.1
167A59.7Low56.4Low96 Ų96104.8 Ų104.879%0.79371%0.707SS**PPolyproline II helixtrans-63.4156.1174.300000112.8
168G56.9Low56.8Low55 Ų55103.4 Ų103.457%0.56770%0.703SS**PPolyproline II helixtrans-72.7167.4176.100000113.8
169I58.8Low57.3Low167 Ų167105.6 Ų105.686%0.85671%0.714SS**PPolyproline II helixtrans-85146.1177.658.4174000112
170T66.1Low57.6Low139 Ų139105.8 Ų105.885%0.85372%0.717SS**PPolyproline II helixtrans-65.5141.6174.1-46.20000111.4
171G58.8Low58.1Low47 Ų47108.8 Ų108.849%0.48572%0.722SS.*PPolyproline II helixtrans-66161.7175.800000114.2
172P63.4Low58.6Low122 Ų122114.5 Ų114.579%0.79273%0.728SS**PPolyproline II helixtrans-71160.3-179.530.9-36.2000112.8
173P64.6Low59.1Low127 Ų127115.3 Ų115.383%0.82574%0.737SS**PPolyproline II helixtrans-60.1155.6173.7-23.134.5000113.8
174G59.9Low59.6Low57 Ų57117.1 Ų117.159%0.58874%0.741SS**PPolyproline II helixtrans-68.2159.5175.100000113.9
175I62.3Low59.8Low166 Ų166117.2 Ų117.285%0.85174%0.742SS**PPolyproline II helixtrans-74140.7178.3-54.6176.5000109.5
176P63.6Low60Low118 Ų118118.3 Ų118.377%0.76675%0.753SS**PPolyproline II helixtrans-56.4153.5172.1-25.835.4000113.7
177G57Low59.7Low51 Ų51122.1 Ų122.153%0.52676%0.758SS.*PPolyproline II helixtrans-68.6159172.400000112.5
178S58.6Low59.5Low110 Ų110122 Ų12277%0.76976%0.758SS**PPolyproline II helixtrans-76.2154174.254.20000112.4
179D62.3Low59.4Low156 Ų156122.9 Ų122.983%0.83476%0.759SS**PPolyproline II helixtrans-59.2152.4173.7-60.8-46.4000112.5
180G55Low59.1Low52 Ų52120.6 Ų120.654%0.53676%0.755SS.*PPolyproline II helixtrans-75.4153.5178.300000113.4
181E59Low58.2Low191 Ų191123 Ų12389%0.89375%0.754SS**PPolyproline II helixtrans-68.2151.6176.9-63.3-168.1121.800112.5
182R62.3Low57.6Low241 Ų241128.7 Ų128.791%0.90977%0.768SS**PPolyproline II helixtrans-72.6131.3-179-175.5-177.4-63.3170.31.6110.6
183G59Low56.9Low63 Ų63128.2 Ų128.265%0.64978%0.775SS**PPolyproline II helixtrans-58.3149.617600000113.9
184E58Low56.1Low192 Ų192127.1 Ų127.190%0.89777%0.765SS**PPolyproline II helixtrans-67.1145.3-178.7-66.5-168.5103.100112.8
185P60.5Low55.7Low124 Ų124131.8 Ų131.881%0.80578%0.776SS**PPolyproline II helixtrans-61.3139.8173.1-22.734000113.2
186G56.5Low55.4Low78 Ų78129.7 Ų129.780%0.80477%0.774SS**PPolyproline II helixtrans-59.9136.6177.700000113.3A188G186-A188 PolarHBondContact O-N 2.96Å
187K51.2Low55.2Low212 Ų212127.5 Ų127.592%0.92277%0.772SS**PPolyproline II helixtrans-68.5123178.8-75.5178.8177.6170.60111.3
188A55.6Low55.2Low95 Ų95132.9 Ų132.979%0.78579%0.789SS**PPolyproline II helixtrans-64.7139.5175.400000112.3G186G186-A188 PolarHBondContact O-N 2.96Å
189A54.2Low55.3Low72 Ų72132.4 Ų132.460%0.59579%0.792SS**PPolyproline II helixtrans-86.3139.2173.900000110.8F191A189-F191 VanDerWaalsContact C-N 3.35Å; A189-F191 PolarHBondContact O-N 2.85Å; A189-F191 VanDerWaalsContact O-N 3.15Å
190P52.6Low55.2Low119 Ų119128.4 Ų128.477%0.77379%0.788SS**THydrogen-bonded Turntrans-76.1-5.9-160.8-20.634.7000117.8
191F47.2Very low55.6Low191 Ų191133.2 Ų133.284%0.83880%0.801SS**THydrogen-bonded Turntrans-136.836.8-165.4-80.9-72.2000116.3A189A189-F191 VanDerWaalsContact C-N 3.35Å; A189-F191 PolarHBondContact O-N 2.85Å; A189-F191 VanDerWaalsContact O-N 3.15Å
192Q47.1Very low55.8Low166 Ų166129.9 Ų129.978%0.77680%0.796SS**SBendtrans-159.1152.9153.1-110.8147.217.700111.3T194Q192-T194 HydrophobicContact CB-CG2 4.36Å; Q192-T194 PolarHBondContact O-N 3.48Å
193A48Very low55.8Low112 Ų112121.1 Ų121.193%0.92678%0.781SS**  trans-77.465.5173.200000110.2
194T47.9Very low56Low103 Ų103127.3 Ų127.363%0.63279%0.79SS**PPolyproline II helixtrans-67.9147174.149.10000110.5Q192Q192-T194 HydrophobicContact CB-CG2 4.36Å; Q192-T194 PolarHBondContact O-N 3.48Å
195L50.7Low56.3Low156 Ų156123.9 Ų123.982%0.81778%0.784SS**PPolyproline II helixtrans-52.8156.1175.8-67.1160.1000111.2G197L195-G197 PolarHBondContact O-N 3.12Å; L195-G197 VanDerWaalsContact O-N 3.14Å
196P57.6Low56.3Low122 Ų122120 Ų12079%0.79277%0.767SS**PPolyproline II helixtrans-49.7124.3169.1-2433.9000109.3D198P196-D198 PolarHBondContact O-N 3.31Å
197G59.1Low56.6Low72 Ų72120.8 Ų120.874%0.74277%0.766SS**PPolyproline II helixtrans-57.5140.1-177.500000110.6L195L195-G197 PolarHBondContact O-N 3.12Å; L195-G197 VanDerWaalsContact O-N 3.14Å
198D57.2Low57.2Low163 Ų163117.4 Ų117.487%0.87276%0.763SS**PPolyproline II helixtrans-51.3142-179.5-65.8-64.8000110.9P196 G200P196-D198 PolarHBondContact O-N 3.31Å; D198-G200 PolarHBondContact O-N 2.98Å
199A61.1Low57.5Low101 Ų101114.5 Ų114.584%0.83574%0.743SS**PPolyproline II helixtrans-59.5117.8179.700000109
200G59.7Low57.8Low72 Ų72117.2 Ų117.274%0.74275%0.754SS**PPolyproline II helixtrans-54.4140.8-178.900000111.4D198D198-G200 PolarHBondContact O-N 2.98Å
201D62.3Low58.2Low152 Ų152119.6 Ų119.681%0.81376%0.759SS**PPolyproline II helixtrans-50.3145.2-175-71.3-62.6000112.1G203D201-G203 PolarHBondContact O-N 3.43Å
202P64.6Low58.9Low122 Ų122112.2 Ų112.279%0.79274%0.737SS**PPolyproline II helixtrans-51.3127.1173.1-25.734.5000110.9F204P202-F204 PolarHBondContact O-N 3.34Å
203G61.7Low59.5Low57 Ų57110 Ų11059%0.58874%0.737SS**PPolyproline II helixtrans-54.2139.3177.300000110.8D201D201-G203 PolarHBondContact O-N 3.43Å
204F62.4Low60.4Low193 Ų193110.6 Ų110.685%0.84673%0.732SS**PPolyproline II helixtrans-53.7141.8177.2-72-79.1000110.5P202 G206P202-F204 PolarHBondContact O-N 3.34Å; F204-G206 PolarHBondContact O-N 2.99Å
205P64.1Low61.1Low120 Ų120108 Ų10878%0.77973%0.726SS**PPolyproline II helixtrans-50.2135.9174.5-27.434.9000111.2A207P205-A207 PolarHBondContact O-N 2.93Å
206G61.9Low61.4Low42 Ų42106.8 Ų106.843%0.43373%0.727SS.*PPolyproline II helixtrans-53.4135.5177.700000110.5F204 T208F204-G206 PolarHBondContact O-N 2.99Å; G206-T208 PolarHBondContact O-N 2.98Å
207A62.6Low61.7Low95 Ų95108.5 Ų108.579%0.78573%0.73SS**PPolyproline II helixtrans-55.4133178.100000109.7P205 G209P205-A207 PolarHBondContact O-N 2.93Å; A207-G209 PolarHBondContact O-N 3.33Å; A207-G209 VanDerWaalsContact O-N 3.08Å
208T64.1Low61.7Low140 Ų140107.3 Ų107.386%0.85972%0.717SS**PPolyproline II helixtrans-49.1121179.9-51.20000109.6G206G206-T208 PolarHBondContact O-N 2.98Å
209G60.8Low61.5Low35 Ų35107.1 Ų107.136%0.36172%0.716SS.*PPolyproline II helixtrans-53146.5-179.700000111A207 L211A207-G209 PolarHBondContact O-N 3.33Å; A207-G209 VanDerWaalsContact O-N 3.08Å; G209-L211 PolarHBondContact O-N 3.17Å
210P60.4Low61.4Low128 Ų128110 Ų11083%0.83172%0.718SS**PPolyproline II helixtrans-55.1141.3179.725-34.5000109.8G212P210-G212 PolarHBondContact O-N 3.38Å; P210-G212 VanDerWaalsContact O-N 3.11Å
211L61.6Low61.2Low169 Ų169108.5 Ų108.589%0.88570%0.702SS**PPolyproline II helixtrans-50.1123.4176.1178.262.7000108.7G209G209-L211 PolarHBondContact O-N 3.17Å
212G61.2Low60.8Low37 Ų37106.8 Ų106.838%0.38170%0.699SS.*PPolyproline II helixtrans-53.7148.3179.300000110.8P210P210-G212 PolarHBondContact O-N 3.38Å; P210-G212 VanDerWaalsContact O-N 3.11Å
213P61.4Low60.3Low118 Ų118106.9 Ų106.977%0.76670%0.7SS**PPolyproline II helixtrans-54.4146.2178.925.3-34.7000109.8G215P213-G215 PolarHBondContact O-N 3.1Å
214P65.4Low59.8Low126 Ų126106.4 Ų106.482%0.81870%0.695SS**PPolyproline II helixtrans-48135.6174.7-27.935.2000110.7
215G62.2Low58.8Low49 Ų49104.8 Ų104.851%0.50569%0.694SS.*PPolyproline II helixtrans-55.1146.5173.500000110.1P213P213-G215 PolarHBondContact O-N 3.1Å
216P58.2Low58Low129 Ų129104.6 Ų104.684%0.83870%0.695SS**PPolyproline II helixtrans-56.7146.5178.326.3-35.1000110.2G218P216-G218 PolarHBondContact O-N 3.24Å
217D63.6Low57.4Low159 Ų159104.5 Ų104.585%0.8569%0.694SS**PPolyproline II helixtrans-48.7128.4178.9-72.5-45.6000110.5N219D217-N219 PolarHBondContact O-N 3.43Å
218G58.4Low56.5Low47 Ų47109 Ų10949%0.48570%0.699SS.*PPolyproline II helixtrans-57.7124.5-179.900000110P216 N220P216-G218 PolarHBondContact O-N 3.24Å; G218-N220 PolarHBondContact O-N 3.25Å
219N53.4Low55.7Low158 Ų158109.5 Ų109.585%0.84569%0.689SS**  trans-42.6128.3179.4-75.5-34.5000110.8D217 G221D217-N219 PolarHBondContact O-N 3.43Å; N219-G221 PolarHBondContact O-N 3.23Å
220N59.7Low55.3Low162 Ų162109.7 Ų109.787%0.86669%0.691SS**PPolyproline II helixtrans-46.5127.2175.9-78-41.8000110G218G218-N220 PolarHBondContact O-N 3.25Å
221G55.1Low54.6Low41 Ų41111.8 Ų111.842%0.42369%0.694SS.*PPolyproline II helixtrans-53.7145.5176.800000110.7N219N219-G221 PolarHBondContact O-N 3.23Å
222P53.6Low54.2Low115 Ų115111.1 Ų111.175%0.74769%0.687SS**PPolyproline II helixtrans-55.1143.1-179.224.4-34.3000109.9G224P222-G224 PolarHBondContact O-N 3.43Å
223P54.9Low53.9Low124 Ų124111 Ų11181%0.80569%0.686SS**PPolyproline II helixtrans-49.4128.5-179.9-28.935.3000111.2I225P223-I225 PolarHBondContact O-N 3.31Å
224G50.1Low53.5Low47 Ų47111.6 Ų111.649%0.48569%0.69SS.*PPolyproline II helixtrans-53134.8-179.500000110.4P222 S226P222-G224 PolarHBondContact O-N 3.43Å; G224-S226 PolarHBondContact O-N 3.01Å; G224-S226 VanDerWaalsContact O-N 3.14Å
225I42.8Very low53.1Low160 Ų160114 Ų11482%0.82169%0.687SS**PPolyproline II helixtrans-53124.7-17851.9171.3000109.7P223 G227P223-I225 PolarHBondContact O-N 3.31Å; I225-G227 PolarHBondContact O-N 3.27Å
226S47.4Very low52.7Low115 Ų115112.2 Ų112.280%0.80467%0.669SS**PPolyproline II helixtrans-58.1125.2179.5-168.50000108.6G224 Q228G224-S226 PolarHBondContact O-N 3.01Å; G224-S226 VanDerWaalsContact O-N 3.14Å; S226-Q228 PolarHBondContact O-N 3.3Å
227G48.6Very low52.4Low40 Ų40107.5 Ų107.541%0.41264%0.639SS.*PPolyproline II helixtrans-54.1132.2-177.800000109.9I225 K229I225-G227 PolarHBondContact O-N 3.27Å; G227-K229 PolarHBondContact O-N 3.08Å; G227-K229 VanDerWaalsContact O-N 3.09Å
228Q42.9Very low52.2Low191 Ų191104.7 Ų104.789%0.89363%0.629SS**PPolyproline II helixtrans-53.3124.1177.9-80.5-169.2-1200108.9S226 G230S226-Q228 PolarHBondContact O-N 3.3Å; Q228-G230 PolarHBondContact O-N 3.49Å
229K48.9Very low52.3Low149 Ų149102.9 Ų102.965%0.64861%0.611SS**PPolyproline II helixtrans-52.3119.4178.2-177.2-176176.286.70107.9D158 G227 L231D158-K229 IonicContact OD1-NZ 3.86Å; D158-K229 PolarHBondContact OD1-NZ 2.95Å; D158-K229 IonicContact OD2-NZ 3.88Å; G227-K229 PolarHBondContact O-N 3.08Å; G227-K229 VanDerWaalsContact O-N 3.09Å; K229-L231 PolarHBondContact O-N 3.39Å
230G51.1Low52.5Low40 Ų4096.7 Ų96.741%0.41258%0.584SS.*PPolyproline II helixtrans-49.7128.2179.300000109.8Q228 Q232Q228-G230 PolarHBondContact O-N 3.49Å; G230-Q232 PolarHBondContact O-N 2.93Å
231L46.5Very low52.6Low171 Ų17194.2 Ų94.290%0.89558%0.576SS**PPolyproline II helixtrans-53.3128.3-177.6-67.4177.8000109K229 G233K229-L231 PolarHBondContact O-N 3.39Å; L231-G233 PolarHBondContact O-N 3.39Å
232Q52.5Low52.6Low155 Ų15592.6 Ų92.672%0.72456%0.56SS**  trans-56.1115.6-179.1177.2174.876.600108.8G230G230-Q232 PolarHBondContact O-N 2.93Å
233G55.1Low53Low36 Ų3692.9 Ų92.937%0.37155%0.551SS.*PPolyproline II helixtrans-51.6134.4176.400000109.9L231 K235L231-G233 PolarHBondContact O-N 3.39Å; G233-K235 PolarHBondContact O-N 3Å
234P52.7Low53.5Low129 Ų12992.9 Ų92.984%0.83854%0.544SS*.PPolyproline II helixtrans-55.5136.4-170.822.5-34000110.3G236P234-G236 PolarHBondContact O-N 3.38Å
235K57Low54Low176 Ų17691 Ų9177%0.76552%0.524SS*.PPolyproline II helixtrans-46.3124.9-171.9177.8-179.7173.7179.90110.5S152 G233S152-K235 WeakPolarHBondContact OG-CE 3.45Å; G233-K235 PolarHBondContact O-N 3Å
236G54.2Low55.1Low12 Ų1289.4 Ų89.412%0.12452%0.516CS..PPolyproline II helixtrans-49.2125.4174.700000110.2S152 P234S152-G236 WeakPolarHBondContact CB-O 3.26Å; S152-G236 PolarHBondContact OG-O 3.5Å; P234-G236 PolarHBondContact O-N 3.38Å
237P52.1Low55.9Low31 Ų3187.7 Ų87.720%0.20150%0.503CS..PPolyproline II helixtrans-57.5160.3-174.527.2-38.2000111.1G105 M106 P107G105-P237 WeakPolarHBondContact O-CG 2.97Å; M106-P237 VanDerWaalsContact C-CG 3.45Å; P107-P237 HydrophobicContact CG-CG 4.15Å
238P59.3Low56.6Low99 Ų9986 Ų8664%0.64349%0.486SS*.PPolyproline II helixtrans-52.2149.8172-22.233.1000110.4G105G105-P238 VanDerWaalsContact CA-O 3.27Å; G105-P238 WeakPolarHBondContact CA-O 3.33Å; G105-P238 PolarHBondContact N-O 3.29Å
239G59.7Low57.5Low10 Ų1080.7 Ų80.710%0.10347%0.467CS..PPolyproline II helixtrans-48.4149.7166.200000112K103 G150K103-G239 CarbonylContact O-C 3.58Å; K103-G239 VanDerWaalsContact O-CA 3.31Å; K103-G239 WeakPolarHBondContact O-CA 3.17Å; G150-G239 VanDerWaalsContact O-CA 3.27Å; G150-G239 WeakPolarHBondContact O-CA 3.48Å; G150-G239 PolarHBondContact O-N 2.94Å
240G57.7Low58.3Low27 Ų2776.7 Ų76.728%0.27846%0.463SS..PPolyproline II helixtrans-54.8160.2158.700000109.5G102 K103G102-G240 WeakPolarHBondContact CA-O 3.45Å; K103-G240 PolarHBondContact O-N 3.17Å
241P62.3Low58.8Low110 Ų11075.1 Ų75.171%0.71445%0.446SS*.PPolyproline II helixtrans-50.1148.8166.3-23.634000110G102G102-P241 WeakPolarHBondContact CA-O 3.42Å
242G56.1Low59.7Low7 Ų774.8 Ų74.87%0.07244%0.44CS..PPolyproline II helixtrans-54.415716200000110.5R100 G147R100-G242 WeakPolarHBondContact O-CA 3.33Å; G147-G242 VanDerWaalsContact O-CA 3.22Å; G147-G242 WeakPolarHBondContact O-CA 3.42Å; G147-G242 PolarHBondContact O-N 3.15Å
243H61.8Low60.3Low121 Ų12170.4 Ų70.456%0.5643%0.43SS*.PPolyproline II helixtrans-56.5154.6166.5-68.8-82000108.4G99 R100 G147G99-H243 VanDerWaalsContact CA-O 3.29Å; G99-H243 WeakPolarHBondContact CA-O 3.12Å; R100-H243 PolarHBondContact O-N 3.15Å; R100-H243 VanDerWaalsContact O-N 3.14Å; G147-H243 PolarHBondContact N-O 2.97Å
244L64.7Low60.6Low125 Ų12568.9 Ų68.965%0.65441%0.414SS*.PPolyproline II helixtrans-59.2150166.2-70.5172.5000108.8T143 P146T143-L244 HydrophobicContact CG2-CB 3.87Å; P146-L244 HydrophobicContact CG-CD2 4.12Å
245G59.8Low61Low7 Ų767 Ų677%0.07240%0.402CS..PPolyproline II helixtrans-58.2167.5166.600000111.4E97 T143 G144E97-G245 WeakPolarHBondContact O-CA 3.5Å; T143-G245 WeakPolarHBondContact CG2-O 3.45Å; G144-G245 WeakPolarHBondContact O-CA 3.46Å; G144-G245 PolarHBondContact O-N 3.47Å
246L66.1Low61.2Low126 Ų12663.5 Ų63.566%0.6639%0.391SS*.PPolyproline II helixtrans-67.9157.4164.1-66.8177.4000109G96 E97 G144G96-L246 WeakPolarHBondContact CA-O 3.26Å; E97-L246 PolarHBondContact O-N 3.09Å; G144-L246 PolarHBondContact N-O 3.31Å; G144-L246 VanDerWaalsContact N-O 3.1Å
247P65Low61.3Low79 Ų7963 Ų6351%0.51339%0.386SS..PPolyproline II helixtrans-54147.9161-22.334.3000109.9
248G62.2Low61.5Low6 Ų663.5 Ų63.56%0.06239%0.389CS..PPolyproline II helixtrans-61.2161170.300000111.8I94 G141I94-G248 VanDerWaalsContact O-CA 3.24Å; I94-G248 WeakPolarHBondContact O-CA 3.39Å; G141-G248 PolarHBondContact O-N 2.99Å
249P63Low61.3Low78 Ų7860.3 Ų60.351%0.50637%0.368SS..PPolyproline II helixtrans-54.7162.5164.427.7-35.3000110.4G93 I94 G141G93-P249 WeakPolarHBondContact CA-O 3.48Å; I94-P249 HydrophobicContact CD1-CG 4.29Å; I94-P249 HydrophobicContact CG1-CG 3.73Å; G141-P249 PolarHBondContact N-O 3.06Å; G141-P249 VanDerWaalsContact N-O 3.09Å
250A64.6Low61Low66 Ų6660.1 Ų60.155%0.54537%0.366SS..PPolyproline II helixtrans-57.1148.7167.200000110P137P137-A250 HydrophobicContact CB-CB 4.34Å
251G63Low60.7Low7 Ų763.8 Ų63.87%0.07238%0.383CS..PPolyproline II helixtrans-62.6158.9169.800000111.4P91 P137 G138P91-G251 VanDerWaalsContact O-CA 3.27Å; P91-G251 WeakPolarHBondContact O-CA 3.4Å; P137-G251 WeakPolarHBondContact CB-O 3.4Å; G138-G251 PolarHBondContact N-O 2.88Å; G138-G251 PolarHBondContact O-N 3.22Å
252E65.1Low60Low164 Ų16461.3 Ų61.377%0.76637%0.367SS*.PPolyproline II helixtrans-58.5163.5170.4-63.4-169.9143.300111G90 G138G90-E252 WeakPolarHBondContact CA-O 3.37Å; G138-E252 PolarHBondContact N-O 3.38Å; G138-E252 VanDerWaalsContact N-O 3.16Å
253A65.4Low59.7Low62 Ų6264.5 Ų64.551%0.51239%0.387SS..PPolyproline II helixtrans-58.1142.7173.800000110.3P134P134-A253 HydrophobicContact CB-CB 4.37Å
254G61.4Low59.2Low4 Ų464.8 Ų64.84%0.04140%0.398CS..BIsolated β-bridgetrans-63.5154.6178.200000112.2R88 G90 P134 G135R88-G254 WeakPolarHBondContact O-CA 3.31Å; G90-G254 VanDerWaalsContact CA-CA 3.49Å; P134-G254 WeakPolarHBondContact CB-O 3.24Å; G135-G254 PolarHBondContact N-O 3.35Å; G135-G254 VanDerWaalsContact N-O 3.14Å; G135-G254 PolarHBondContact O-N 3.28Å
255P61.4Low58.3Low89 Ų8963.7 Ų63.758%0.57839%0.385SS*.PPolyproline II helixtrans-53.7154.1174.426.1-35.2000110.3G87 G135 G257G87-P255 WeakPolarHBondContact CA-O 3.45Å; G135-P255 PolarHBondContact N-O 3.41Å; P255-G257 PolarHBondContact O-N 3.42Å
256L60.5Low57.2Low103 Ų10366.3 Ų66.354%0.53940%0.402SS..PPolyproline II helixtrans-51.3139.1178.7-15566.1000109.9P131 G132 P134P131-L256 HydrophobicContact CB-CB 4.35Å; P131-L256 HydrophobicContact CB-CD2 3.77Å; P131-L256 HydrophobicContact CB-CG 3.85Å; P131-L256 HydrophobicContact CG-CD2 3.82Å; P131-L256 HydrophobicContact CG-CG 4.46Å; G132-L256 WeakPolarHBondContact O-CD1 3.49Å; G132-L256 VanDerWaalsContact O-CG 3.26Å; G132-L256 WeakPolarHBondContact O-CG 3.3Å; P134-L256 HydrophobicContact CG-CD1 3.8Å
257G55.6Low56Low1 Ų161.9 Ų61.91%0.0138%0.383CS..PPolyproline II helixtrans-56.8163.6-170.600000113.8I85 P131 G132 P255 P259I85-G257 CarbonylContact O-C 3.44Å; I85-G257 WeakPolarHBondContact O-CA 3.3Å; P131-G257 WeakPolarHBondContact CA-O 3.48Å; P131-G257 WeakPolarHBondContact CB-O 3.23Å; G132-G257 PolarHBondContact N-O 2.77Å; G132-G257 WeakPolarHBondContact O-CA 3.5Å; G132-G257 PolarHBondContact O-N 3.2Å; P255-G257 PolarHBondContact O-N 3.42Å; G257-P259 WeakPolarHBondContact O-CD 3.36Å
258T57.4Low55.3Low43 Ų4364.4 Ų64.426%0.26440%0.403SS..PPolyproline II helixtrans-56.4131.3174.755.30000108.3G84 I85 P125 G132 G260G84-T258 WeakPolarHBondContact CA-O 3.46Å; I85-T258 PolarHBondContact O-N 3.29Å; I85-T258 VanDerWaalsContact O-N 3.08Å; P125-T258 HydrophobicContact CB-CG2 3.52Å; P125-T258 HydrophobicContact CG-CG2 3.91Å; G132-T258 PolarHBondContact N-O 3.11Å; T258-G260 PolarHBondContact O-N 2.9Å; T258-G260 VanDerWaalsContact O-N 3.15Å
259P54.3Low54.8Low32 Ų3270 Ų7021%0.20843%0.431CS..BIsolated β-bridgetrans-37.7124.1161.7-37.744.1000110.6P127 A128 C129 P131 G257P127-P259 WeakPolarHBondContact O-CB 3.34Å; A128-P259 VanDerWaalsContact N-CB 3.28Å; C129-P259 WeakPolarHBondContact O-CA 3.32Å; C129-P259 VanDerWaalsContact O-CB 3.26Å; C129-P259 WeakPolarHBondContact O-CB 3.39Å; P131-P259 HydrophobicContact CB-CG 4.05Å; P131-P259 HydrophobicContact CG-CG 4.15Å; G257-P259 WeakPolarHBondContact O-CD 3.36Å
260G53Low54Low6 Ų669.4 Ų69.46%0.06244%0.439CS..  trans-60.5-174.6176.300000112.9G84 C129 P130 T258G84-G260 VanDerWaalsContact CA-CA 3.47Å; C129-G260 VanDerWaalsContact CB-C 3.46Å; C129-G260 VanDerWaalsContact CB-O 3.24Å; C129-G260 WeakPolarHBondContact CB-O 3.39Å; C129-G260 VanDerWaalsContact SG-C 3.56Å; C129-G260 PolarHBondContact SG-O 3.34Å; P130-G260 PolarHBondContact O-N 3.45Å; T258-G260 PolarHBondContact O-N 2.9Å; T258-G260 VanDerWaalsContact O-N 3.15Å
261V51.8Low52.7Low103 Ų10367.3 Ų67.362%0.62443%0.425SS*.BIsolated β-bridgetrans-128.7113.3174.7-77.90000109.2P263V261-P263 WeakPolarHBondContact O-CD 3.32Å
262C48.2Very low51.7Low58 Ų5873 Ų7339%0.39246%0.457SS..  trans-61.2122.6154.7-63.80000106.7C129 T264C129-C262 PolarHBondContact SG-N 3.24Å; C129-C262 PolarHBondContact SG-SG 2.98Å; C262-T264 PolarHBondContact O-N 3.48Å
263P50.4Low50.3Low74 Ų7471.3 Ų71.348%0.48145%0.448SS..  trans-58.7134.7161.127.2-31.2000107.3C80 V261 Y265 C266C80-P263 WeakPolarHBondContact O-CD 3.21Å; V261-P263 WeakPolarHBondContact O-CD 3.32Å; P263-Y265 PolarHBondContact O-N 2.97Å; P263-C266 PolarHBondContact O-N 3.05Å; P263-C266 PolarHBondContact O-SG 3.06Å
264T50.1Low49.4Very low128 Ų12876.9 Ų76.979%0.78546%0.463SS*.THydrogen-bonded Turntrans-63.9-8-169.1-15.40000114.3C262C262-T264 PolarHBondContact O-N 3.48Å
265Y45.7Very low48.3Very low102 Ų10281.9 Ų81.940%0.449%0.488SS..THydrogen-bonded Turntrans-119.351.9-178.5-52.2-58.4000111.4P263 A267 L275P263-Y265 PolarHBondContact O-N 2.97Å; Y265-A267 PolarHBondContact O-N 3.45Å; Y265-L275 HydrophobicContact CD1-CD1 4.5Å; Y265-L275 HydrophobicContact CD1-CG 4.43Å; Y265-L275 HydrophobicContact CE1-CB 4.34Å; Y265-L275 HydrophobicContact CE1-CD1 3.53Å; Y265-L275 HydrophobicContact CE1-CG 3.69Å
266C37.4Very low47.3Very low61 Ų6185.1 Ų85.141%0.41250%0.501SS..  trans-69.864.8159.5-65.60000110.2C80 P263 S268C80-C266 HydrophobicContact CB-CB 4.35Å; C80-C266 VanDerWaalsContact CB-SG 3.51Å; P263-C266 PolarHBondContact O-N 3.05Å; P263-C266 PolarHBondContact O-SG 3.06Å; C266-S268 PolarHBondContact O-N 3.04Å
267A39.9Very low46.1Very low33 Ų3387.5 Ų87.527%0.27351%0.513SS..  trans-60126.5168.700000108.6Y265 D269 G270 G271Y265-A267 PolarHBondContact O-N 3.45Å; A267-D269 WeakPolarHBondContact CB-OD1 3.24Å; A267-D269 PolarHBondContact O-N 2.89Å; A267-G270 PolarHBondContact O-N 3.46Å; A267-G271 VanDerWaalsContact CB-O 3.24Å; A267-G271 WeakPolarHBondContact CB-O 3.47Å
268S51.1Low45.3Very low133 Ų13393.1 Ų93.193%0.9355%0.549SS*.THydrogen-bonded Turntrans-66.6-6.6-174.637.90000114.3C266C266-S268 PolarHBondContact O-N 3.04Å
269D51Low44.4Very low122 Ų122104 Ų10465%0.65260%0.597SS**THydrogen-bonded Turntrans-110.24.8178.254.1-53.5000112.9A267 G271A267-D269 WeakPolarHBondContact CB-OD1 3.24Å; A267-D269 PolarHBondContact O-N 2.89Å; D269-G271 VanDerWaalsContact C-N 3.33Å; D269-G271 PolarHBondContact O-N 3.06Å
270G46.2Very low43.9Very low66 Ų66107.7 Ų107.768%0.6862%0.617SS**  trans81.50.7172.300000116.1A267 V272A267-G270 PolarHBondContact O-N 3.46Å; G270-V272 PolarHBondContact O-N 3.4Å
271G37.9Very low43.5Very low23 Ų23113 Ų11324%0.23765%0.646CS.*  trans-73.5117.8178.100000113.6A267 D269 F273A267-G271 VanDerWaalsContact CB-O 3.24Å; A267-G271 WeakPolarHBondContact CB-O 3.47Å; D269-G271 VanDerWaalsContact C-N 3.33Å; D269-G271 PolarHBondContact O-N 3.06Å; G271-F273 WeakPolarHBondContact O-CD2 3.45Å; G271-F273 PolarHBondContact O-N 3.17Å
272V41.1Very low43Very low125 Ų125113.6 Ų113.676%0.75865%0.647SS**  trans-78.388.8169.5-178.70000109.1G270G270-V272 PolarHBondContact O-N 3.4Å
273F37.6Very low42.7Very low130 Ų130116.8 Ų116.857%0.5766%0.662SS**  trans-81.3115.4173.6-74.1-82000111.1G271 L275G271-F273 WeakPolarHBondContact O-CD2 3.45Å; G271-F273 PolarHBondContact O-N 3.17Å; F273-L275 PolarHBondContact O-N 3.29Å
274H44.7Very low42.2Very low178 Ų178119.5 Ų119.582%0.82467%0.674SS**  trans-67.8109.1158.8-82.1-95.5000108.4D276H274-D276 PolarHBondContact O-N 3.12Å
275L40Very low41.7Very low109 Ų109118.9 Ų118.957%0.57167%0.666SS**  trans-78.5113.8166.7-71.3-169.6000110.3Y265 F273 L277Y265-L275 HydrophobicContact CD1-CD1 4.5Å; Y265-L275 HydrophobicContact CD1-CG 4.43Å; Y265-L275 HydrophobicContact CE1-CB 4.34Å; Y265-L275 HydrophobicContact CE1-CD1 3.53Å; Y265-L275 HydrophobicContact CE1-CG 3.69Å; F273-L275 PolarHBondContact O-N 3.29Å; L275-L277 PolarHBondContact O-N 2.81Å
276D40.1Very low41.4Very low158 Ų158120.1 Ų120.185%0.84569%0.685SS**  trans-56125.6151-75.9-60.3000108.9H274 P278H274-D276 PolarHBondContact O-N 3.12Å; D276-P278 WeakPolarHBondContact O-CD 3.28Å
277L35.2Very low41.7Very low153 Ų153124.7 Ų124.780%0.80171%0.706SS**  trans-82.2121.4172.7-109.779.7000109.8L275L275-L277 PolarHBondContact O-N 2.81Å
278P38.2Very low41.9Very low118 Ų118132.3 Ų132.377%0.76674%0.743SS**  trans-97.4111-179.134.4-29.4000112.7D276D276-P278 WeakPolarHBondContact O-CD 3.28Å
279Q39.2Very low41Very low273 Ų273132.3 Ų132.3100%1.27673%0.725SS**  trans-152.20136.7-74.1-149.9-11.200109.6

Retrieved 279 of 279 residues in 361.2 ms (Link to these results)

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