G4VL28_SCHMA Loading...

HABP4_PAI-RBP1 domain-containing protein

AlphaFold DB , UniProt , Accession G4VL28, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 417 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
1M56Low66.6Low248 Ų248145.5 Ų145.5100%1.22281%0.806SS**  0135.80-69.7170.4169.900106.9
2A52.7Low67.6Low104 Ų104144.1 Ų144.186%0.8680%0.804SS**  trans-83.8127173.800000109
3G60.2Low68.7Low63 Ų63144.4 Ų144.465%0.64980%0.795SS**  trans-77.1143.9171.300000110.5
4V59.3Low69.4Low117 Ų117144.1 Ų144.171%0.70980%0.799SS**  trans-95.395.9168.5178.30000107.1H6V4-H6 PolarHBondContact O-N 3.48Å; V4-H6 VanDerWaalsContact O-N 3.09Å
5D68.7Low70.2Confident156 Ų156142 Ų14283%0.83478%0.779SS**  trans-74.3101.1179-70.9-26.5000110A7D5-A7 PolarHBondContact O-N 3.22Å
6H62.6Low70.8Confident136 Ų136136.8 Ų136.863%0.6376%0.756SS**  trans-71.193.5174.3-68.2-66.6000110.4V4 Y8V4-H6 PolarHBondContact O-N 3.48Å; V4-H6 VanDerWaalsContact O-N 3.09Å; H6-Y8 HydrophobicContact CB-CD2 4.44Å; H6-Y8 HydrophobicContact CB-CE2 3.95Å; H6-Y8 WeakPolarHBondContact O-CD2 3.37Å; H6-Y8 PolarHBondContact O-N 3.08Å
7A69.3Low71.5Confident101 Ų101141.3 Ų141.384%0.83576%0.759SS**  trans-6793.3172.300000110.8D5 Q9D5-A7 PolarHBondContact O-N 3.22Å; A7-Q9 PolarHBondContact O-N 2.87Å
8Y72.3Confident71.8Confident175 Ų175141.9 Ų141.969%0.68675%0.754SS**  trans-69.2109174.7-72.8-85.9000110.7H6 Y10H6-Y8 HydrophobicContact CB-CD2 4.44Å; H6-Y8 HydrophobicContact CB-CE2 3.95Å; H6-Y8 WeakPolarHBondContact O-CD2 3.37Å; H6-Y8 PolarHBondContact O-N 3.08Å; Y8-Y10 WeakPolarHBondContact O-CD2 3.42Å; Y8-Y10 PolarHBondContact O-N 3.06Å
9Q75.3Confident71.9Confident198 Ų198136.4 Ų136.493%0.92573%0.727SS**  trans-88.1105.2177.4-156.6172.522.400109.6A7A7-Q9 PolarHBondContact O-N 2.87Å
10Y76.9Confident71.8Confident194 Ų194135.2 Ų135.276%0.76172%0.72SS**  trans-90.4120.8177.8-63.8-83.4000110.7Y8Y8-Y10 WeakPolarHBondContact O-CD2 3.42Å; Y8-Y10 PolarHBondContact O-N 3.06Å
11S79.2Confident71.7Confident108 Ų108134.5 Ų134.576%0.75571%0.711SS**  trans-89.8146.7166.950.80000110.8
12V78.7Confident72.3Confident129 Ų129129.5 Ų129.578%0.78269%0.689SS**  trans-117.2105.1173.9177.80000108.9V14V12-V14 PolarHBondContact O-N 2.86Å
13E81.1Confident72.9Confident148 Ų148129.1 Ų129.169%0.69267%0.672SS**  trans-77.4106174.9-72.5-174.1-165.400111.1K15E13-K15 VanDerWaalsContact C-N 3.29Å; E13-K15 PolarHBondContact O-N 2.95Å
14V79.1Confident73.3Confident140 Ų140129.7 Ų129.785%0.84866%0.661SS**  trans-81.578.5170.3-172.90000109.4V12V12-V14 PolarHBondContact O-N 2.86Å
15K80.8Confident73.5Confident113 Ų113129.1 Ų129.149%0.49166%0.658SS.*  trans-65.4138.5171.7-73.6-168.3168.6-165.70110.6E13 D23E13-K15 VanDerWaalsContact C-N 3.29Å; E13-K15 PolarHBondContact O-N 2.95Å; K15-D23 IonicContact NZ-OD2 2.69Å; K15-D23 PolarHBondContact NZ-OD2 3.5Å
16S79.8Confident73.2Confident59 Ų59126 Ų12641%0.41364%0.64SS.*  trans-61.7143.9175.11770000110.6F18 S19S16-F18 PolarHBondContact O-N 2.84Å; S16-F18 PolarHBondContact OG-N 3.4Å; S16-S19 WeakPolarHBondContact O-CB 3.49Å; S16-S19 PolarHBondContact O-N 3.23Å
17R82.6Confident73.1Confident213 Ų213125 Ų12580%0.80464%0.639SS**THydrogen-bonded Turntrans-58.1-21.1174.2-64.9-178.771.7155.61.6112.5F21R17-F21 WeakPolarHBondContact O-CE2 3.5Å
18F77.8Confident73Confident153 Ų153125 Ų12567%0.67163%0.634SS**THydrogen-bonded Turntrans-83.9-25174.6-57.6-69.6000113.7S16 L20 F21S16-F18 PolarHBondContact O-N 2.84Å; S16-F18 PolarHBondContact OG-N 3.4Å; F18-L20 PolarHBondContact O-N 3.25Å; F18-F21 HydrophobicContact CD1-CD2 4.49Å; F18-F21 PolarHBondContact O-N 3.03Å
19S74.4Confident73Confident36 Ų36119.5 Ų119.525%0.25261%0.614SS.*G310 helixtrans-63.7-31.8176.5-58.90000112.1S16 F21 L22 D23S16-S19 WeakPolarHBondContact O-CB 3.49Å; S16-S19 PolarHBondContact O-N 3.23Å; S19-F21 PolarHBondContact O-N 3.21Å; S19-L22 PolarHBondContact O-N 2.78Å; S19-D23 PolarHBondContact O-N 2.99Å
20L69.9Low73.1Confident113 Ų113114.2 Ų114.259%0.59259%0.592SS**G310 helixtrans-59.1-25.9173.5-67.8170000113.1F18 D24F18-L20 PolarHBondContact O-N 3.25Å; L20-D24 WeakPolarHBondContact O-CB 3.48Å
21F68.8Low73.2Confident121 Ų121109 Ų10953%0.53158%0.582SS.*G310 helixtrans-91.6-6175.3-52.7-57.2000113.4R17 F18 S19 N27R17-F21 WeakPolarHBondContact O-CE2 3.5Å; F18-F21 HydrophobicContact CD1-CD2 4.49Å; F18-F21 PolarHBondContact O-N 3.03Å; S19-F21 PolarHBondContact O-N 3.21Å; F21-N27 PolarHBondContact O-ND2 3.08Å
22L69.5Low73.3Confident143 Ų143109.6 Ų109.675%0.74958%0.577SS**THydrogen-bonded Turntrans-98.8-38.2175.2-63175.1000111.4S19 D24S19-L22 PolarHBondContact O-N 2.78Å; L22-D24 PolarHBondContact O-N 2.98Å
23D65.5Low73.4Confident96 Ų96107.2 Ų107.251%0.51356%0.559SS.*SBendtrans-71.2-16.9174-67.9-3.8000111.6K15 S19 T25K15-D23 IonicContact NZ-OD2 2.69Å; K15-D23 PolarHBondContact NZ-OD2 3.5Å; S19-D23 PolarHBondContact O-N 2.99Å; D23-T25 PolarHBondContact O-N 3.09Å; D23-T25 VanDerWaalsContact O-N 3.09Å
24D68.6Low73.4Confident75 Ų75102.7 Ų102.740%0.40154%0.539SS..  trans-72.5100.4-179.6-129-7.1000111L20 L22 L26 N27L20-D24 WeakPolarHBondContact O-CB 3.48Å; L22-D24 PolarHBondContact O-N 2.98Å; D24-L26 PolarHBondContact O-N 2.95Å; D24-N27 PolarHBondContact O-N 3.04Å
25T63.4Low73.6Confident105 Ų105100.4 Ų100.464%0.64452%0.522SS*.THydrogen-bonded Turntrans-54.8-4.817754.10000115.9D23 S28D23-T25 PolarHBondContact O-N 3.09Å; D23-T25 VanDerWaalsContact O-N 3.09Å; T25-S28 PolarHBondContact O-OG 3.22Å
26L60.7Low73.7Confident90 Ų9098 Ų9847%0.47152%0.52SS..THydrogen-bonded Turntrans-78.1-25170.8-63.9170.6000112.8D24 E29D24-L26 PolarHBondContact O-N 2.95Å; L26-E29 PolarHBondContact O-N 3.5Å
27N62.4Low73.9Confident114 Ų11499 Ų9961%0.6152%0.516SS*.THydrogen-bonded Turntrans-87.2-6.2178.8-75.5-21.1000113.5F21 D24F21-N27 PolarHBondContact O-ND2 3.08Å; D24-N27 PolarHBondContact O-N 3.04Å
28S67.2Low73.9Confident103 Ų10394.5 Ų94.572%0.7251%0.508SS*.THydrogen-bonded Turntrans-99.82.916654.90000113.1T25T25-S28 PolarHBondContact O-OG 3.22Å
29E70.5Confident74.2Confident58 Ų5893.6 Ų93.627%0.27151%0.505SS..SBendtrans-83.7132.7167.6-64.2-164.6141.800110.7L26 L34 K37L26-E29 PolarHBondContact O-N 3.5Å; E29-L34 HydrophobicContact CB-CD2 4.04Å; E29-L34 HydrophobicContact CB-CG 4.09Å; E29-L34 WeakPolarHBondContact OE2-CD2 3.33Å; E29-K37 IonicContact OE1-NZ 2.59Å; E29-K37 PolarHBondContact OE1-NZ 2.91Å; E29-K37 IonicContact OE2-NZ 2.65Å; E29-K37 PolarHBondContact OE2-NZ 3.46Å
30D78.2Confident74.3Confident88 Ų8895.3 Ų95.347%0.47152%0.517SS..  trans-50.4130.2174.3-171.1-29.7000110.7D32 I33 L34D30-D32 PolarHBondContact O-N 3.49Å; D30-D32 VanDerWaalsContact O-N 3.11Å; D30-D32 PolarHBondContact OD1-N 3.42Å; D30-I33 HydrophobicContact CB-CB 4.27Å; D30-I33 HydrophobicContact CB-CD1 3.83Å; D30-I33 HydrophobicContact CB-CG1 3.94Å; D30-I33 WeakPolarHBondContact O-CA 3.39Å; D30-I33 WeakPolarHBondContact O-CB 3.37Å; D30-I33 PolarHBondContact O-N 3.21Å; D30-L34 PolarHBondContact O-N 3.16Å; D30-L34 VanDerWaalsContact O-N 3.08Å
31P79.7Confident74.7Confident85 Ų8596.8 Ų96.855%0.55252%0.519SS*.Hα-helixtrans-52.2-34.8-179.619-32.9000113.5I33 L34 L35P31-I33 VanDerWaalsContact C-N 3.33Å; P31-I33 PolarHBondContact O-N 3.23Å; P31-L34 WeakPolarHBondContact O-CB 3.38Å; P31-L34 PolarHBondContact O-N 3.39Å; P31-L35 WeakPolarHBondContact O-CD1 3.42Å; P31-L35 PolarHBondContact O-N 3.17Å
32D81Confident74.8Confident120 Ų120100.9 Ų100.964%0.64253%0.531SS*.Hα-helixtrans-68.5-33.5177.8-79.7-3.3000112.1D30 L35 S36D30-D32 PolarHBondContact O-N 3.49Å; D30-D32 VanDerWaalsContact O-N 3.11Å; D30-D32 PolarHBondContact OD1-N 3.42Å; D32-L35 PolarHBondContact O-N 3.11Å; D32-S36 PolarHBondContact O-N 2.74Å
33I81.3Confident74.4Confident79 Ų7996 Ų9641%0.40552%0.515SS..Hα-helixtrans-65.6-43.8171.6-64.9175.9000109.9D30 P31 L35 S36 K37D30-I33 HydrophobicContact CB-CB 4.27Å; D30-I33 HydrophobicContact CB-CD1 3.83Å; D30-I33 HydrophobicContact CB-CG1 3.94Å; D30-I33 WeakPolarHBondContact O-CA 3.39Å; D30-I33 WeakPolarHBondContact O-CB 3.37Å; D30-I33 PolarHBondContact O-N 3.21Å; P31-I33 VanDerWaalsContact C-N 3.33Å; P31-I33 PolarHBondContact O-N 3.23Å; I33-L35 PolarHBondContact O-N 2.89Å; I33-S36 PolarHBondContact O-N 3.24Å; I33-S36 PolarHBondContact O-OG 3.5Å; I33-K37 HydrophobicContact CG2-CD 4.28Å; I33-K37 WeakPolarHBondContact O-CG 3.35Å; I33-K37 PolarHBondContact O-N 3.47Å
34L80.3Confident74Confident53 Ų5399 Ų9928%0.27753%0.526SS..Hα-helixtrans-61.6-43.2175.9-67173.7000112E29 D30 P31 S36 K37 L38E29-L34 HydrophobicContact CB-CD2 4.04Å; E29-L34 HydrophobicContact CB-CG 4.09Å; E29-L34 WeakPolarHBondContact OE2-CD2 3.33Å; D30-L34 PolarHBondContact O-N 3.16Å; D30-L34 VanDerWaalsContact O-N 3.08Å; P31-L34 WeakPolarHBondContact O-CB 3.38Å; P31-L34 PolarHBondContact O-N 3.39Å; L34-S36 PolarHBondContact O-N 2.95Å; L34-K37 PolarHBondContact O-N 3.01Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 2.92Å
35L83Confident73.6Confident92 Ų92103.3 Ų103.348%0.48254%0.541SS..Hα-helixtrans-58.7-46.2173-94.7118.7000111.7P31 D32 I33 K37 L38 Q39P31-L35 WeakPolarHBondContact O-CD1 3.42Å; P31-L35 PolarHBondContact O-N 3.17Å; D32-L35 PolarHBondContact O-N 3.11Å; I33-L35 PolarHBondContact O-N 2.89Å; L35-K37 VanDerWaalsContact C-N 3.32Å; L35-K37 PolarHBondContact O-N 3.5Å; L35-L38 PolarHBondContact O-N 3.49Å; L35-Q39 WeakPolarHBondContact O-CG 3.13Å; L35-Q39 PolarHBondContact O-N 3.21Å
36S82.9Confident73.4Confident63 Ų63103.7 Ų103.744%0.44154%0.544SS..Hα-helixtrans-61.3-38.517881.50000112.7D32 I33 L34 Q39 S40D32-S36 PolarHBondContact O-N 2.74Å; I33-S36 PolarHBondContact O-N 3.24Å; I33-S36 PolarHBondContact O-OG 3.5Å; L34-S36 PolarHBondContact O-N 2.95Å; S36-Q39 PolarHBondContact O-N 2.99Å; S36-S40 WeakPolarHBondContact O-CB 3.32Å; S36-S40 PolarHBondContact O-N 3.12Å; S36-S40 PolarHBondContact O-OG 3.08Å
37K84.5Confident73.3Confident80 Ų80108.6 Ų108.635%0.34856%0.561SS.*Hα-helixtrans-68.6-35.3176-72.4178-179.7-171.90112.7E29 I33 L34 L35 S40 K41E29-K37 IonicContact OE1-NZ 2.59Å; E29-K37 PolarHBondContact OE1-NZ 2.91Å; E29-K37 IonicContact OE2-NZ 2.65Å; E29-K37 PolarHBondContact OE2-NZ 3.46Å; I33-K37 HydrophobicContact CG2-CD 4.28Å; I33-K37 WeakPolarHBondContact O-CG 3.35Å; I33-K37 PolarHBondContact O-N 3.47Å; L34-K37 PolarHBondContact O-N 3.01Å; L35-K37 VanDerWaalsContact C-N 3.32Å; L35-K37 PolarHBondContact O-N 3.5Å; K37-S40 WeakPolarHBondContact CA-OG 3.48Å; K37-S40 PolarHBondContact O-OG 2.65Å; K37-S40 VanDerWaalsContact O-OG 3.12Å; K37-K41 WeakPolarHBondContact O-CB 3.37Å; K37-K41 WeakPolarHBondContact O-CG 3.34Å; K37-K41 PolarHBondContact O-N 2.59Å
38L81.8Confident73.1Confident118 Ų118112.3 Ų112.362%0.61857%0.572SS**Hα-helixtrans-73.2-38.7175.5-72.1170.5000112.2L34 L35 R42L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 2.92Å; L35-L38 PolarHBondContact O-N 3.49Å; L38-R42 WeakPolarHBondContact O-CG 3.42Å; L38-R42 PolarHBondContact O-N 3.24Å; L38-R42 VanDerWaalsContact O-N 3.16Å
39Q83.8Confident72.2Confident134 Ų134114.5 Ų114.563%0.62658%0.575SS**Hα-helixtrans-67.5-47.1176.5-71.1-178.515.200111.9L35 S36 K41 R42 G43L35-Q39 WeakPolarHBondContact O-CG 3.13Å; L35-Q39 PolarHBondContact O-N 3.21Å; S36-Q39 PolarHBondContact O-N 2.99Å; Q39-K41 PolarHBondContact O-N 3.39Å; Q39-R42 WeakPolarHBondContact O-CB 3.43Å; Q39-R42 PolarHBondContact O-N 3.3Å; Q39-R42 VanDerWaalsContact O-N 3.09Å; Q39-G43 PolarHBondContact O-N 3.2Å
40S78.2Confident71.1Confident72 Ų72121 Ų12150%0.50360%0.603SS.*Hα-helixtrans-59.7-46.6176.348.40000112.4S36 K37 R42 G43 E44S36-S40 WeakPolarHBondContact O-CB 3.32Å; S36-S40 PolarHBondContact O-N 3.12Å; S36-S40 PolarHBondContact O-OG 3.08Å; K37-S40 WeakPolarHBondContact CA-OG 3.48Å; K37-S40 PolarHBondContact O-OG 2.65Å; K37-S40 VanDerWaalsContact O-OG 3.12Å; S40-R42 PolarHBondContact O-N 2.75Å; S40-G43 PolarHBondContact O-N 3.25Å; S40-G43 VanDerWaalsContact O-N 3.08Å; S40-E44 PolarHBondContact O-N 3.19Å
41K76.6Confident69.4Low144 Ų144123 Ų12363%0.62662%0.621SS**Hα-helixtrans-63.7-20.3174.1-75.6-178.7176.5179.30114.6K37 Q39K37-K41 WeakPolarHBondContact O-CB 3.37Å; K37-K41 WeakPolarHBondContact O-CG 3.34Å; K37-K41 PolarHBondContact O-N 2.59Å; Q39-K41 PolarHBondContact O-N 3.39Å
42R71Confident67.4Low206 Ų206127.7 Ų127.778%0.77764%0.635SS**Hα-helixtrans-81.9-38.6169.4-80.3-178.3170.9-178.8-1.5112.2L38 Q39 S40 E44L38-R42 WeakPolarHBondContact O-CG 3.42Å; L38-R42 PolarHBondContact O-N 3.24Å; L38-R42 VanDerWaalsContact O-N 3.16Å; Q39-R42 WeakPolarHBondContact O-CB 3.43Å; Q39-R42 PolarHBondContact O-N 3.3Å; Q39-R42 VanDerWaalsContact O-N 3.09Å; S40-R42 PolarHBondContact O-N 2.75Å; R42-E44 VanDerWaalsContact C-N 3.35Å; R42-E44 PolarHBondContact O-N 2.6Å
43G61.6Low65.5Low41 Ų41129.6 Ų129.642%0.42364%0.644SS.*Hα-helixtrans-68.2-29.217800000114.4Q39 S40 T46Q39-G43 PolarHBondContact O-N 3.2Å; S40-G43 PolarHBondContact O-N 3.25Å; S40-G43 VanDerWaalsContact O-N 3.08Å; G43-T46 PolarHBondContact O-OG1 3.28Å
44E58.3Low63.5Low158 Ų158134.8 Ų134.874%0.73867%0.667SS**G310 helixtrans-76-29.5-178.3-162.5170.6-141.400113.3S40 R42 T46S40-E44 PolarHBondContact O-N 3.19Å; R42-E44 VanDerWaalsContact C-N 3.35Å; R42-E44 PolarHBondContact O-N 2.6Å; E44-T46 VanDerWaalsContact C-N 3.35Å; E44-T46 PolarHBondContact O-N 3.22Å
45K59.7Low61.5Low167 Ų167141.2 Ų141.273%0.72670%0.696SS**G310 helixtrans-79.1-8.1-176.5-71.8-172.1175.1-170.30115.2
46T58.5Low59.2Low112 Ų112145.7 Ų145.769%0.68771%0.714SS**G310 helixtrans-104.37.4-170.653.50000114.9G43 E44G43-T46 PolarHBondContact O-OG1 3.28Å; E44-T46 VanDerWaalsContact C-N 3.35Å; E44-T46 PolarHBondContact O-N 3.22Å
47K59.5Low57.1Low194 Ų194151.7 Ų151.784%0.84374%0.735SS**SBendtrans-115.55.4-176.1-70.6-171.7177.7179.40116.1
48K56.6Low55.2Low191 Ų191154.4 Ų154.483%0.8376%0.757SS**SBendtrans-113.3-19.8-177.7-141.6171.5-174.1177.40115.5K50K48-K50 PolarHBondContact O-N 2.89Å
49D48.2Very low53.3Low149 Ų149153.2 Ų153.280%0.79777%0.765SS**  trans-90.684.9-177.8-61.2-27.1000111.6
50K48.3Very low51.5Low195 Ų195152.6 Ų152.685%0.84877%0.773SS**  trans-80.9130.6164.7-102.6-179.8175.51780109.2K48 H52K48-K50 PolarHBondContact O-N 2.89Å; K50-H52 PolarHBondContact O-N 3.18Å
51P42.9Very low49.8Very low131 Ų131155 Ų15585%0.85178%0.784SS**  trans-72.6114.2-172.328.1-34.6000111.8
52H38.3Very low48.4Very low183 Ų183157.6 Ų157.685%0.84780%0.796SS**  trans-111.868.2172.5-175.771.7000110.2K50K50-H52 PolarHBondContact O-N 3.18Å
53L39.2Very low47.1Very low160 Ų160151.5 Ų151.584%0.83879%0.789SS**  trans-163.672.3176.5-118.8165000113.3
54Q41Very low46.3Very low187 Ų187156.6 Ų156.687%0.87481%0.806SS**  trans-172.5158153.5-108.8160.364.900111.2
55Q37.5Very low45.7Very low189 Ų189154.7 Ų154.788%0.88381%0.806SS**  trans66.875.6174.7-57.5-176.14.900117.8
56Q34.8Very low45Very low185 Ų185153.5 Ų153.586%0.86481%0.806SS**  trans-139.398.2144.4-88.2-163.6-1500110.7
57H39.6Very low44.3Very low190 Ų190153.7 Ų153.788%0.8881%0.807SS**  trans-162.8162.7158.8-91.8-62.5000109.4
58V43.6Very low43.9Very low136 Ų136153.5 Ų153.582%0.82481%0.806SS**  trans75.475.7176.4-162.20000116.8
59A42.4Very low43.5Very low94 Ų94149.2 Ų149.278%0.77780%0.801SS**  57.8151.8121.100000123
60P45.7Very low43.5Very low121 Ų121150.3 Ų150.379%0.78680%0.801SS**  trans-121.8174.2-157.242.7-29.6000115.9
61T41.7Very low43.4Very low122 Ų122146.4 Ų146.475%0.74879%0.793SS**  trans-154.9128.4155.416.60000113.6
62K47.2Very low43.6Very low199 Ų199148.3 Ų148.387%0.86579%0.788SS**  trans66.1144.9151.2-58.9169.5-174.7178.40118.3
63A45.1Very low44.1Very low77 Ų77146 Ų14664%0.63678%0.781SS**  cis-162.4154.1-17.900000110
64D45.2Very low44.4Very low148 Ų148144.3 Ų144.379%0.79177%0.773SS**  trans40.3132.7151.6-43.9-30.5000120.6
65T44.1Very low44.4Very low118 Ų118141.4 Ų141.472%0.72477%0.768SS**  -159.2148.856.735.20000115.2
66I46Very low44.7Very low142 Ų142136.9 Ų136.973%0.72876%0.763SS**  trans47.7103.4141-54163.5000117.5
67T42.7Very low45.2Very low116 Ų116134.5 Ų134.571%0.71276%0.762SS**  cis88.3119.941.775.10000117.5
68K51.8Low45.7Very low190 Ų190130.3 Ų130.383%0.82675%0.751SS**  trans135.9105.9155-76.3163.2-175.5-179.60110.6
69S48.5Very low45.8Very low102 Ų102133 Ų13371%0.71375%0.752SS**  58.2124.975.471.80000112.1
70E47.3Very low45.8Very low172 Ų172133.4 Ų133.480%0.80476%0.755SS**  -152.9136.953.3-141.3154.6163.500109
71V45.9Very low45.7Very low112 Ų112131.3 Ų131.368%0.67976%0.756SS**  58.7126.277.4149.20000111.9
72K48.2Very low46Very low171 Ų171130.5 Ų130.574%0.74376%0.755SS**  cis-159.5168.914.5-120.2169.6-162.3169.40112.1
73L48.9Very low45.8Very low136 Ų136131.8 Ų131.871%0.71276%0.755SS**  trans15.7152.8136.7-60.4171.8000120.7
74D45Very low45.8Very low123 Ų123134.8 Ų134.866%0.65876%0.764SS**  cis-157.8164.416.6-134.7-40.1000116.1
75T40.9Very low45.9Very low126 Ų126132.9 Ų132.977%0.77376%0.763SS**  trans-13128.9157.4-56.40000120.9
76A43.4Very low46Very low95 Ų95137 Ų13779%0.78577%0.771SS**  -175.6144.612500000114.4
77T46.9Very low45.8Very low135 Ų135136.7 Ų136.783%0.82878%0.776SS**  trans-122-177.3167.861.70000108
78P49Very low46.3Very low102 Ų102136 Ų13666%0.66277%0.773SS**  cis-149.5-163.910.344.7-22.9000117.6
79K46.3Very low46Very low191 Ų191134.1 Ų134.183%0.8377%0.772SS**  trans80.7104.9146.5-81.5178.6179.7176.70123.1
80A42.9Very low45.9Very low103 Ų103134 Ų13485%0.85177%0.771SS**  83.7138.4108.700000123.3
81G43Very low46.2Very low78 Ų78131.5 Ų131.580%0.80477%0.768SS**  trans104.4148.9170.800000114.3
82S46.8Very low46.3Very low104 Ų104134.7 Ų134.773%0.72778%0.775SS**  cis-166.7140.8-10.2-175.40000111.8
83R44.2Very low46.6Very low227 Ų227131.6 Ų131.686%0.85777%0.773SS**  trans42.9115.1152.2-68.1175.7178.6179.2-1.1120.2
84V44.6Very low47.2Very low139 Ų139130.3 Ų130.384%0.84277%0.773SS**  84.9110.672.9166.30000116
85S48.5Very low48Very low109 Ų109130.3 Ų130.376%0.76278%0.779SS**  trans163.1154151.1420000109.3
86K46.3Very low48.8Very low204 Ų204130.9 Ų130.989%0.88778%0.782SS**  cis-155165.5-15.5-103.9169.3-178.3179.50107.8
87T41.3Very low49.8Very low136 Ų136131.5 Ų131.583%0.83478%0.778SS**  trans-108.3-168.2-178.358.10000111
88P53.4Low50.5Low101 Ų101130.6 Ų130.666%0.65678%0.775SS**  cis-138.2-159.2-5.741-19.6000115.5
89N44Very low50.9Low151 Ų151134.2 Ų134.281%0.80778%0.783SS**  trans79.5145.7161.7-66.83.6000119.9
90S47.1Very low50.9Low98 Ų98132.2 Ų132.269%0.68578%0.781SS**  cis-167.5176.7-16.458.10000112.8
91T54.3Low51.2Low121 Ų121132.9 Ų132.974%0.74278%0.775SS**  trans90.181.4151.9-41.30000121.2
92E47.7Very low51.3Low178 Ų178136.8 Ų136.883%0.83277%0.772SS**  55.3164.4111.1-101.9-161.6117.100124.8
93P54Low51.3Low106 Ų106139 Ų13969%0.68877%0.774SS**  -130.2-137.4-103.449.3-29.7000115.6
94P61.1Low51.5Low110 Ų110134 Ų13471%0.71477%0.769SS**  trans-126.7176.8-134.740.5-18.9000118
95P62.4Low51.7Low123 Ų123133.1 Ų133.180%0.79977%0.769SS**  trans-128.1165.9163.539.1-26.2000115.7
96V56.8Low51.8Low138 Ų138132.1 Ų132.184%0.83677%0.767SS**  trans-146.4-177.9179-153.10000109
97P65.7Low52.2Low107 Ų107132.3 Ų132.370%0.69577%0.768SS**  -92.4-172.8-99.142.2-28.4000115.7
98P61.8Low52.4Low116 Ų116128.8 Ų128.875%0.75376%0.759SS**  -128.7145125.98.213.9000111.4
99E56.2Low52.6Low178 Ų178130.9 Ų130.983%0.83277%0.77SS**  89.1128.661.2-75.2-170.8156.100116.1
100D47.7Very low52.8Low149 Ų149130.4 Ų130.480%0.79777%0.768SS**  trans53.3138157.8-691000125.2
101V48.9Very low52.8Low118 Ų118134.5 Ų134.572%0.71578%0.776SS**  171.3118.7114.3153.50000113.8
102Q44.4Very low53Low160 Ų160133.2 Ų133.275%0.74877%0.77SS**  trans51.6117.4146-57.1170.538.100120.8
103I48Very low52.7Low149 Ų149132.6 Ų132.676%0.76477%0.77SS**  81.8113.363.2-64.7162.8000115.6
104T48Very low52.3Low124 Ų124133.1 Ų133.176%0.76178%0.777SS**  165.5135.5127.934.50000116.7
105S48.4Very low51.5Low119 Ų119132.5 Ų132.583%0.83277%0.771SS**  trans65.1151.1145.173.10000121
106A49.8Very low50.4Low89 Ų89135.8 Ų135.874%0.73677%0.773SS**  cis-163173.9-9.100000112.2
107K54.5Low50.1Low207 Ų207135.5 Ų135.590%0.977%0.771SS**  trans69.3129.8175.8-66.9178.9173.21770116.7
108G46.1Very low49.1Very low63 Ų63141.7 Ų141.765%0.64978%0.781SS**  cis104.398.2-9.900000115.9
109T57.4Low48.2Very low145 Ų145139.9 Ų139.989%0.8978%0.783SS**  trans-156.6132.8160.2-44.10000108.4
110D49.2Very low47.8Very low141 Ų141143 Ų14375%0.75479%0.787SS**  trans-117.8147.1-167.7-49.9-69.2000114.3
111E47.1Very low47.6Very low183 Ų183139.2 Ų139.286%0.85578%0.783SS**  trans58.3-179.6145.7-74.9-157.8177.600120.2
112P57.2Low47.7Very low95 Ų95139.9 Ų139.962%0.61779%0.794SS**  -132.1174.7-58.638.7-25000114.9
113I41.6Very low47.9Very low164 Ų164135.8 Ų135.884%0.84179%0.794SS**  trans32.3117.5148.7-56.3158.7000118.8
114S45.3Very low48.1Very low118 Ų118140.7 Ų140.783%0.82580%0.803SS**  trans-150.9167.1150-1620000112.8
115T44.4Very low48.2Very low96 Ų96138 Ų13859%0.58980%0.8SS**  trans-120.4179.9-16344.90000113.8
116F40.5Very low48.4Very low192 Ų192139 Ų13984%0.84280%0.801SS**  trans73.6154.3-179.4-43.5-75.2000113.6
117V50Low48.4Very low133 Ų133140.1 Ų140.181%0.80680%0.801SS**  cis-135.6144.623.31720000112.8G119V117-G119 PolarHBondContact O-N 3.05Å
118R43.9Very low48.2Very low237 Ų237142.1 Ų142.189%0.89480%0.803SS**  trans-74.196.7167.6174.7-170.4-88.8-177.8-7.1110.8R120R118-R120 PolarHBondContact O-N 3.49Å
119G44.5Very low48.3Very low77 Ų77142.6 Ų142.679%0.79481%0.808SS**  trans-82.8107.9176.400000113.6V117V117-G119 PolarHBondContact O-N 3.05Å
120R46.1Very low48.1Very low243 Ų243144.2 Ų144.292%0.91781%0.807SS**  trans-107.4105.7178.4-152.3-170.7-162.8-160.46.7111.9R118R118-R120 PolarHBondContact O-N 3.49Å
121G45.2Very low48Very low70 Ų70149.5 Ų149.572%0.72282%0.817SS**  trans81.7149.5155.200000118.7
122S49.8Very low48.1Very low133 Ų133146.6 Ų146.693%0.9381%0.811SS**  trans167.7118.1148-80.10000108.7
123G48.8Very low47.6Very low73 Ų73144.6 Ų144.675%0.75381%0.808SS**  trans-152.4-10.8-165.100000120.8
124R51.2Low48Very low252 Ų252149 Ų14995%0.95181%0.814SS**  trans64.9142-176.4-51.9170.5176.7173.7-2.3112.3
125G50.3Low48.1Very low68 Ų68146.8 Ų146.870%0.70181%0.809SS**  cis101.3125.230.100000108.2
126T53.6Low48.4Very low140 Ų140152.1 Ų152.186%0.85983%0.828SS**  cis-152.3168.716.146.60000112.1
127P49.9Very low48.5Very low112 Ų112146.6 Ų146.673%0.72783%0.825SS**  trans-100.8157.3-178.738.1-34.3000114.2
128R50.8Low48.6Very low250 Ų250145.6 Ų145.694%0.94382%0.821SS**  trans165.2140.1145.2-94.5153.1-179.7179.2-0.1113.6
129G48.4Very low48.5Very low73 Ų73145.9 Ų145.975%0.75382%0.822SS**  trans71.9153.3153.900000117
130M51.5Low48.7Very low179 Ų179150.6 Ų150.688%0.88283%0.827SS**  cis-129.7150.79.5-79.9-68.8-168.300112.2V132M130-V132 HydrophobicContact CB-CG2 4.5Å
131R47.1Very low48.9Very low251 Ų251142.7 Ų142.795%0.94781%0.814SS**  trans-113.783.1176.6-167.4-170.9-160.4-164.68.2110.1
132V50.6Low49.3Very low122 Ų122145.6 Ų145.674%0.73982%0.82SS**  trans-142.3126.7-176.9-176.60000107.9M130M130-V132 HydrophobicContact CB-CG2 4.5Å
133G45.9Very low49.5Very low54 Ų54145.9 Ų145.956%0.55782%0.816SS**  cis110.8124.3-4.400000113.3
134R50.1Low49.5Very low257 Ų257151.3 Ų151.397%0.9782%0.822SS**  trans78.2144.4-168.6-46.4157.7-168.1-119.33112.6
135G48.4Very low49.5Very low70 Ų70144 Ų14472%0.72282%0.816SS**  cis-111.2169.7-19.200000110.2
136Q50.7Low49.6Very low209 Ų209146.1 Ų146.198%0.97782%0.818SS**  cis60.1107.533.6-69.9-147.1-5.800115
137G42.1Very low49.4Very low76 Ų76148.9 Ų148.978%0.78482%0.82SS**  trans-175.4107.9173.100000108.8
138P50.9Low49.2Very low112 Ų112150.4 Ų150.473%0.72782%0.823SS**  trans-116.7150.8-162.239.3-31.7000116.6
139R42.8Very low49.2Very low243 Ų243144.5 Ų144.592%0.91782%0.82SS**  trans68.3152.2163.3-62.2171.4-179.5175.7-0.7113.7
140I49Very low49.2Very low175 Ų175147.4 Ų147.490%0.89782%0.822SS**  -137.416764.6-78.2158.9000112.2
141A50.5Low48.9Very low77 Ų77143.8 Ų143.864%0.63682%0.815SS**  trans-83.4166.3-171.500000114.7
142P52.5Low48.8Very low131 Ų131139.2 Ų139.285%0.85181%0.809SS**  trans-76158.3169.533.5-36.8000112.4
143T55.2Low48.8Very low139 Ų139141.4 Ų141.485%0.85382%0.816SS**  trans-132.2134.9174.6-53.90000110.1
144E48.4Very low48.9Very low187 Ų187146.1 Ų146.187%0.87483%0.828SS**  trans-83.9157.7-179.6-60.2166.7116.800112.6
145A52Low49Very low100 Ų100138.6 Ų138.683%0.82682%0.821SS**  trans-150.2106.1158.600000109.1
146P50.5Low48.8Very low112 Ų112140.7 Ų140.773%0.72782%0.822SS**  trans-92.4160.1179.436.3-34.5000112.1
147Q50.9Low48.8Very low197 Ų197143.3 Ų143.392%0.92182%0.823SS**  trans-162.3131.5144.1-115.8165.916.900112.3
148D45.6Very low48.9Very low145 Ų145142.8 Ų142.878%0.77582%0.818SS**  trans-84.9154.8-178.5-49.4-92.9000112.8
149S50Low48.7Very low126 Ų126143.4 Ų143.488%0.88183%0.825SS**  trans-156.9103156.3-67.30000110.8
150V49.1Very low49.1Very low133 Ų133137.8 Ų137.881%0.80682%0.823SS**  trans-69.4177.4175.7-71.70000114.2
151S45.9Very low49Very low104 Ų104138.5 Ų138.573%0.72782%0.82SS**  trans95104.4172.7-34.40000113.4
152D43.3Very low48.8Very low155 Ų155142.4 Ų142.483%0.82983%0.825SS**  49.4117.361.7-72.4-40.1000114.7
153L50.8Low48.8Very low168 Ų168141.9 Ų141.988%0.8882%0.821SS**  -179.4144.6119.4-96.3164000114.2
154N49.1Very low48.5Very low152 Ų152146.1 Ų146.181%0.81382%0.822SS**  trans-53.3137.7-178.6-63.5-76.5000117.2
155A51.3Low48.5Very low100 Ų100141.1 Ų141.183%0.82682%0.82SS**  trans-162.9116.8146.700000113.6
156P45.1Very low48.4Very low114 Ų114148.7 Ų148.774%0.7483%0.827SS**  trans-107.5116.6170.434.7-26.9000113.2
157R49.1Very low48.3Very low263 Ų263147 Ų14799%0.99283%0.831SS**  trans176.7146164-86.4132-173.6-173.63.7106.3
158G45.1Very low48.1Very low65 Ų65149.8 Ų149.867%0.6783%0.833SS**  cis-178.9154.9-8.100000109.4
159S47.3Very low48.3Very low126 Ų126146.1 Ų146.188%0.88183%0.829SS**  trans28.3102.4163.558.50000119.9
160S50Low48.2Very low124 Ų124152.3 Ų152.387%0.86783%0.833SS**  trans-159166.4133.8-143.60000113.6
161F47.9Very low48.1Very low191 Ų191149.5 Ų149.584%0.83883%0.831SS**  trans-64.5150.5-157.3-93.3-117000119.4
162E46.6Very low48.1Very low158 Ų158156.9 Ų156.974%0.73884%0.843SS**  trans51.9139.1152.3-73.5-163145.200123.9
163P51.3Low48.4Very low120 Ų120152.8 Ų152.878%0.77984%0.838SS**  trans-99.7134.317337.2-30.3000113.6
164R49.3Very low48.2Very low229 Ų229153 Ų15386%0.86484%0.837SS**  trans-131.8159152.6-88.5-172.2166.984-2.8111.2
165G48.8Very low47.7Very low81 Ų81156 Ų15684%0.83584%0.843SS**  trans-60.9137.1-156.100000116.4
166R49.6Very low47.6Very low259 Ų259154.6 Ų154.698%0.97784%0.838SS**  trans-79.1131.1167-63.1172.8175.7173.2-3.1109.4
167G48.3Very low47.4Very low78 Ų78161.6 Ų161.680%0.80485%0.849SS**  trans-162.349.8-178.700000115.2
168R47.4Very low47.3Very low254 Ų254152.4 Ų152.496%0.95884%0.837SS**  trans-82.4118.8-178-73.5-179.7171.5179.5-3.3113.1
169G48.6Very low47.3Very low69 Ų69161.9 Ų161.971%0.71185%0.852SS**  trans-169.6104.4159.200000110.2
170R48.9Very low47.2Very low255 Ų255159.3 Ų159.396%0.96285%0.846SS**  77.3112.263.3-72.8-173.8166.8-173.4-2.7113.7
171G47.6Very low47.1Very low74 Ų74162.1 Ų162.176%0.76385%0.847SS**  trans122.695.617800000110.4
172R45.8Very low47.1Very low259 Ų259157.5 Ų157.598%0.97784%0.837SS**  cis55.2105.445.6-76.9-167176.9-165.3-0.2113.6
173G47.9Very low47.1Very low70 Ų70158.3 Ų158.372%0.72284%0.838SS**  trans165.692.8163.400000116.1
174M47.3Very low46.9Very low172 Ų172159.6 Ų159.685%0.84784%0.838SS**  trans35.4121.7151.1-42.7-46.4175.100119.7
175F39.6Very low47Very low216 Ų216153.1 Ų153.195%0.94783%0.828SS**  50.898.261-71.6-77.1000116.1
176G48.3Very low47.4Very low70 Ų70155.5 Ų155.572%0.72282%0.822SS**  trans170.889167.600000110.6
177R41.6Very low48.2Very low260 Ų260154 Ų15498%0.98182%0.816SS**  54.7116.585.7-67.8-166.1-174-111.15.8114.3
178G47.5Very low48.7Very low70 Ų70155.8 Ų155.872%0.72281%0.807SS**  trans12690.8176.200000110.9
179R44.3Very low49.3Very low264 Ų264151.3 Ų151.3100%0.99680%0.795SS**  39.998.362-73.4-168.6178.9-170.20.7111.6
180G45.1Very low49.8Very low73 Ų73156.4 Ų156.475%0.75380%0.801SS**  trans177.132.8179.300000123
181M48.5Very low50.5Low182 Ų182152.3 Ų152.390%0.89780%0.798SS**  trans62.6-170.8154.6-61.2-65.2-155.900115.3
182P47.3Very low51Low95 Ų95155.4 Ų155.462%0.61779%0.792SS**  -137.7-173.6-11034.8-9.1000116.1
183F46.6Very low51.5Low174 Ų174150.3 Ų150.376%0.76378%0.784SS**  trans53.3112162.3-59.4-64.2000120.2
184N47.2Very low51.6Low147 Ų147149.1 Ų149.179%0.78677%0.773SS**  47.6116127.8-49.9-1.5000119.9
185S50.5Low51.9Low94 Ų94147.4 Ų147.466%0.65777%0.774SS**  trans-176.2-32.1144.327.60000116.2
186N58Low52.8Low130 Ų130144.4 Ų144.470%0.69577%0.768SS**  trans-113.520.8-156.6-76.61.4000117.6
187R65.6Low53.1Low227 Ų227151.8 Ų151.886%0.85777%0.774SS**  trans-89.1-3.4178.7-141.2171.2-164156.76.6114.6F189R187-F189 PolarHBondContact O-N 2.77Å
188D59.4Low53.4Low116 Ų116147.9 Ų147.962%0.6277%0.767SS**THydrogen-bonded Turntrans-80.98.9-174.1-56.8-70.3000115.2Q192D188-Q192 WeakPolarHBondContact O-CG 3.11Å; D188-Q192 PolarHBondContact O-NE2 3.13Å
189F61Low53.4Low161 Ų161147.8 Ų147.871%0.70677%0.766SS**THydrogen-bonded Turntrans-109-20.4-172.2-79.6-79.4000116.2R187R187-F189 PolarHBondContact O-N 2.77Å
190E58.3Low53.5Low176 Ų176141.8 Ų141.882%0.82276%0.761SS**THydrogen-bonded Turntrans-94.6-11.7-164.9-157.2155.9-145.900114.9
191N62.7Low53.7Low169 Ų169148.6 Ų148.690%0.90476%0.764SS**THydrogen-bonded Turntrans-105.419.2169.2-74.3-13.5000112.6D193N191-D193 PolarHBondContact O-N 3.37Å
192Q58.3Low53.8Low138 Ų138148.1 Ų148.165%0.64576%0.76SS**  trans-85.3102.3178.1-65.2-71.2-11.500110.4D188 G194D188-Q192 WeakPolarHBondContact O-CG 3.11Å; D188-Q192 PolarHBondContact O-NE2 3.13Å; Q192-G194 PolarHBondContact O-N 2.83Å
193D57.7Low53.6Low152 Ų152155.4 Ų155.481%0.81378%0.777SS**  trans-68.281.5164.3-103.1-49000109.5N191N191-D193 PolarHBondContact O-N 3.37Å
194G49Very low53.6Low46 Ų46150.3 Ų150.347%0.47477%0.773SS.*  trans-62.5133.2-175.100000112.8Q192 D196Q192-G194 PolarHBondContact O-N 2.83Å; G194-D196 PolarHBondContact O-N 3.25Å
195P53.6Low53.7Low136 Ų136155 Ų15588%0.88378%0.78SS**SBendtrans-77.930.9-165.332.5-38.3000115.9
196D58.4Low54Low153 Ų153161.4 Ų161.482%0.81879%0.789SS**  trans-94.59.3-177-85.9-39.8000114.5G194 Q198G194-D196 PolarHBondContact O-N 3.25Å; D196-Q198 PolarHBondContact O-N 3.45Å
197R54.2Low53.6Low224 Ų224162.8 Ų162.885%0.84580%0.797SS**  trans-7967.3178.4-76.8-169.3175.9161.64.8114.5
198Q49.4Very low52.8Low179 Ų179154.1 Ų154.184%0.83678%0.778SS**  trans58.276.9132.4-59.5177.214.500119.5D196D196-Q198 PolarHBondContact O-N 3.45Å
199G46.4Very low52.2Low67 Ų67154.4 Ų154.469%0.69178%0.78SS**  trans73.8165.5132.700000119.4R201G199-R201 PolarHBondContact O-N 2.99Å; G199-R201 VanDerWaalsContact O-N 3.08Å
200P45.8Very low51.6Low138 Ų138158.2 Ų158.290%0.89679%0.79SS**  trans-80.994.8-170.231.6-35.1000112.3
201R50.3Low51.1Low217 Ų217155.3 Ų155.382%0.81978%0.78SS**  trans-133.9113.4166.5-79.8-164.8169.7-137.6-3114.2G199G199-R201 PolarHBondContact O-N 2.99Å; G199-R201 VanDerWaalsContact O-N 3.08Å
202Q50.4Low50.4Low172 Ų172152.1 Ų152.180%0.80477%0.771SS**  trans70.3107.9149.1-61.5179.8-18.500117.7G204Q202-G204 PolarHBondContact O-N 3.4Å
203Y43.7Very low49.9Very low248 Ų248154.1 Ų154.197%0.97378%0.78SS**  trans-57.8103.6160.9-64.6-92.6000110.7
204G46.9Very low49.5Very low67 Ų67153.7 Ų153.769%0.69178%0.778SS**  trans-104.5111.9165.100000109.4Q202 R206Q202-G204 PolarHBondContact O-N 3.4Å; G204-R206 PolarHBondContact O-N 3.19Å
205R48.5Very low49.5Very low244 Ų244158.4 Ų158.492%0.92180%0.797SS**  trans-60104.1179.3-69.9-179179.9-90.35.5110.3
206R55.6Low49Very low229 Ų229159.6 Ų159.686%0.86480%0.796SS**  trans-149.750.7168-145175.3-155.2-168.64.7113.4G204 G208G204-R206 PolarHBondContact O-N 3.19Å; R206-G208 PolarHBondContact O-N 2.89Å
207D49.6Very low48.3Very low160 Ų160155.7 Ų155.786%0.85679%0.791SS**  trans-65.569.5153.7-49.4-67.7000108.1N209D207-N209 PolarHBondContact O-N 3.46Å
208G49.2Very low47.9Very low45 Ų45152 Ų15246%0.46479%0.788SS.*  trans-7688.1-175.600000109.4R206 W210R206-G208 PolarHBondContact O-N 2.89Å; G208-W210 VanDerWaalsContact O-CD1 3.24Å; G208-W210 PolarHBondContact O-N 2.78Å
209N47.1Very low47.6Very low122 Ų122150.6 Ų150.665%0.65278%0.784SS**  trans-44.6119.1172.8-175.919.8000110.2D207 N211D207-N209 PolarHBondContact O-N 3.46Å; N209-N211 VanDerWaalsContact C-N 3.28Å; N209-N211 PolarHBondContact O-N 2.9Å; N209-N211 PolarHBondContact OD1-N 2.75Å
210W49.6Very low47.4Very low241 Ų241155.1 Ų155.191%0.91379%0.79SS**  trans-89.510.3-176.9-96.291.4000113.5G208 S212G208-W210 VanDerWaalsContact O-CD1 3.24Å; G208-W210 PolarHBondContact O-N 2.78Å; W210-S212 PolarHBondContact O-N 3.27Å
211N46.3Very low47.7Very low114 Ų114153.9 Ų153.961%0.6178%0.782SS**  trans-62122.6166.1-69.37.8000109.4N209N209-N211 VanDerWaalsContact C-N 3.28Å; N209-N211 PolarHBondContact O-N 2.9Å; N209-N211 PolarHBondContact OD1-N 2.75Å
212S48.6Very low47.8Very low103 Ų103152.4 Ų152.472%0.7278%0.784SS**SBendtrans-85.3141.7162.1-60.90000107.8W210W210-S212 PolarHBondContact O-N 3.27Å
213Q47.8Very low47.6Very low179 Ų179149.9 Ų149.984%0.83679%0.785SS**SBendtrans81.5166.1-163-53.8161-32.200112.3
214D48.2Very low47.6Very low144 Ų144141.6 Ų141.677%0.7778%0.776SS**  trans66.266-178.4-54.6-12.6000118.2
215V49Very low47.2Very low144 Ų144146.5 Ų146.587%0.87379%0.786SS**  trans-136.962.7147.6-1660000110.3
216D44.3Very low47.2Very low162 Ų162140.2 Ų140.287%0.86678%0.779SS**  trans-75.1120.1158.6-86.5-48.7000109
217G42.5Very low46.7Very low70 Ų70138.1 Ų138.172%0.72278%0.779SS**  trans-138.786.1-169.300000111.7
218L45.9Very low46.3Very low146 Ų146140.1 Ų140.176%0.76478%0.784SS**  trans-49.7177.7171.7-7567000113.8
219I43.8Very low46Very low150 Ų150143.8 Ų143.877%0.76980%0.797SS**  trans83.2111.3165.4-60.4149.9000111.9
220M42.4Very low45.6Very low162 Ų162143.7 Ų143.780%0.79880%0.8SS**  cis-138.3165.616.3-86.2-79.388.400113.8
221P52.9Low45.1Very low113 Ų113143 Ų14373%0.73480%0.798SS**  trans-94.6155.9174.137.9-33.6000113.7
222E52.1Low44.7Very low185 Ų185147.6 Ų147.686%0.86481%0.813SS**  trans-144.6122.9159.8-166168.1-177.200111.9
223S45.4Very low44.4Very low119 Ų119146.8 Ų146.883%0.83281%0.812SS**  trans6.5124.5161.2-46.10000120.7
224G43.2Very low44Very low75 Ų75145.3 Ų145.377%0.77381%0.81SS**  trans-174.189.6167.200000113.1S226G224-S226 PolarHBondContact O-N 3.21Å
225D39.8Very low43.6Very low169 Ų169145.1 Ų145.190%0.90481%0.809SS**  trans-69.1123.7-177.1-61.5-62.7000113.2
226S48.7Very low43.3Very low112 Ų112149.7 Ų149.778%0.78381%0.81SS**  trans-153.7107.1149.6680000110.7G224 Q228G224-S226 PolarHBondContact O-N 3.21Å; S226-Q228 PolarHBondContact O-N 2.84Å
227E44Very low43.2Very low185 Ų185147 Ų14786%0.86480%0.796SS**  trans-61.7117.8-178-55164.6137.200112
228Q41.1Very low43.2Very low202 Ų202151.6 Ų151.694%0.94480%0.799SS**  trans-134.387.2149.7-73.5-157.533.800109.3S226S226-Q228 PolarHBondContact O-N 2.84Å
229V43.3Very low43.2Very low123 Ų123149.5 Ų149.575%0.74579%0.792SS**  trans-100.6131.7-176.2170.60000109.6
230V38.4Very low43.3Very low119 Ų119150.5 Ų150.572%0.72179%0.793SS**  trans63.2116.5164.8171.70000117.3
231R38.7Very low43.3Very low228 Ų228148.7 Ų148.786%0.8679%0.787SS**  -162.4100.9119.7-101.3153-157.4-83.4-1.7111.1
232F38.1Very low42.7Very low210 Ų210150.4 Ų150.492%0.92179%0.785SS**  trans-71.7132.8143.6-71.4-93.6000106.8
233A43.8Very low42.4Very low86 Ų86147 Ų14771%0.71178%0.779SS**  trans-160.9112.8170.200000109.1
234D39.4Very low42.3Very low148 Ų148149.4 Ų149.479%0.79178%0.777SS**  trans-71.1175.5161.2-55.9-74.6000110.7
235D39.6Very low42.1Very low139 Ų139153.4 Ų153.474%0.74378%0.775SS**  trans55.399.8163.6-60.7-21.5000119.1
236R42.5Very low42Very low240 Ų240149 Ų14991%0.90676%0.762SS**  trans-177.3148.8135.8-92.4136.8-152.8-1260.1110.6
237N41.2Very low41.5Very low106 Ų106150.4 Ų150.457%0.56777%0.767SS**  cis-173.3134.7-26.2-123.440.5000105.3
238E43.4Very low41.3Very low166 Ų166145.3 Ų145.378%0.77676%0.756SS**  trans61.9166.8154.8-62.7141.617600115.2
239V46.1Very low41.5Very low103 Ų103143.7 Ų143.762%0.62475%0.748SS**  cis-156.2132.938.2165.70000109.4
240E45.1Very low41.4Very low170 Ų170143.1 Ų143.179%0.79474%0.741SS**  trans59.5150.8156.5-66.2156.7-168.100117.9
241D42.9Very low41.7Very low124 Ų124145.1 Ų145.166%0.66374%0.743SS**  cis-168.7155.5-5.2-123.216.8000107.7
242Q40.6Very low41.8Very low150 Ų150143.2 Ų143.270%0.70174%0.744SS**  cis-141.4162.4-3.4-73.3-173.2-1000109.9
243P44.8Very low41.9Very low114 Ų114136.7 Ų136.774%0.7474%0.735SS**  trans-83.7173.2164.937.5-36.7000112.4
244E43Very low41.6Very low168 Ų168139.1 Ų139.179%0.78574%0.741SS**  trans-175.1162.5133.8-104-176.7-155.500114.1
245H40.1Very low41.7Very low159 Ų159138 Ų13874%0.73674%0.739SS**  trans-19.2141.1-177.9-52.9-66.6000121.1
246A37.7Very low41.8Very low76 Ų76138.1 Ų138.163%0.62875%0.745SS**  cis95.6146.428.700000115.7
247T38.5Very low41.8Very low143 Ų143130 Ų13088%0.87774%0.735SS**  trans64.4156.2-177.168.90000115
248A40.1Very low41.4Very low77 Ų77131.1 Ų131.164%0.63675%0.746SS**  cis-164.8-168.6-31.900000106.7
249E44.3Very low41.3Very low169 Ų169131.6 Ų131.679%0.7975%0.748SS**  cis-162.8179.1-0.3-137.2136-12400108.6
250N40.4Very low40.7Very low111 Ų111132 Ų13259%0.59475%0.751SS**  trans65.5116.7160-71.334.8000120
251E44.5Very low40.5Very low161 Ų161130.2 Ų130.275%0.75275%0.754SS**  87.2136.684.3-77.6166.9-170.800113.4
252E42Very low40.6Very low188 Ų188129.9 Ų129.988%0.87976%0.757SS**  cis-145.1150.9-13.3-86.6-175.6135.600107.1
253G39.8Very low41Very low72 Ų72132 Ų13274%0.74277%0.767SS**  trans-160.94.1-16500000123
254V38Very low41.4Very low137 Ų137133.6 Ų133.683%0.8376%0.764SS**  trans63.3115.9152.3179.90000120.1
255V41.4Very low42.2Very low124 Ų124133.8 Ų133.875%0.75277%0.765SS**  trans87.2104.6148.6168.30000121
256V42.3Very low43Very low143 Ų143132.2 Ų132.287%0.86777%0.769SS**  trans59.7122.7137.5-176.50000118.8
257G42.3Very low44.7Very low68 Ų68135 Ų13570%0.70177%0.767SS**  cis-175178.61.200000114.1
258T32.3Very low46.2Very low131 Ų131133.5 Ų133.580%0.80476%0.762SS**  trans-60.7158.7173.247.80000110.9
259E40.6Very low47.7Very low176 Ų176135.9 Ų135.982%0.82276%0.756SS**  cis-153.7168.249.4-74.4168.4174.600114.4
260T34.6Very low49.5Very low110 Ų110131 Ų13168%0.67574%0.737SS**  trans-8.9144.4170.551.90000121.8
261P40.7Very low51.6Low133 Ų133132.2 Ų132.286%0.86474%0.743SS**  trans-70.3131.7169.432-34000111.5
262V43.8Very low53.4Low118 Ų118131.8 Ų131.872%0.71574%0.741SS**  trans-114.5124.3174.6178.10000109.2E264V262-E264 PolarHBondContact O-N 2.95Å; V262-E264 VanDerWaalsContact O-N 3.13Å
263E49.2Very low55.4Low195 Ų195127 Ų12791%0.91172%0.719SS**  trans-77.389174.5-61.3-178.9141.900109.4E265E263-E265 PolarHBondContact O-N 3.45Å
264E54.1Low57.3Low147 Ų147128.7 Ų128.769%0.68770%0.704SS**  trans-69.8125171.2-81.6-159.9-165.500111V262 K267V262-E264 PolarHBondContact O-N 2.95Å; V262-E264 VanDerWaalsContact O-N 3.13Å; E264-K267 IonicContact OE2-NZ 2.73Å; E264-K267 PolarHBondContact OE2-NZ 2.94Å
265E58.8Low59.6Low172 Ų172127.9 Ų127.980%0.80469%0.689SS**  trans-56.5151.1-177.6-61.4-179.1147.800113.3E263 K267E263-E265 PolarHBondContact O-N 3.45Å; E265-K267 PolarHBondContact O-N 3.09Å
266P58.1Low61.5Low126 Ų126124.6 Ų124.682%0.81868%0.675SS**  trans-63.498.7-17825.7-35000112.1S268P266-S268 PolarHBondContact O-N 2.94Å
267K73.9Confident63.4Low133 Ų133121.4 Ų121.458%0.57865%0.652SS**  trans-49.6102.4-179-104.6160.5-175.4129.20112.3E264 E265 Y269E264-K267 IonicContact OE2-NZ 2.73Å; E264-K267 PolarHBondContact OE2-NZ 2.94Å; E265-K267 PolarHBondContact O-N 3.09Å; K267-Y269 VanDerWaalsContact C-N 3.28Å; K267-Y269 HydrophobicContact CB-CD2 4.47Å; K267-Y269 HydrophobicContact CB-CE2 4.06Å; K267-Y269 WeakPolarHBondContact O-CD2 3.33Å; K267-Y269 PolarHBondContact O-N 3.07Å
268S68.1Low65.1Low113 Ų113125.3 Ų125.379%0.7965%0.645SS**  trans-7970.2-176.850.10000111.9P266 T270P266-S268 PolarHBondContact O-N 2.94Å; S268-T270 PolarHBondContact O-N 3.33Å
269Y72.5Confident67.1Low126 Ų126125.2 Ų125.249%0.49464%0.636SS.*  trans-53.1124.1177.6-72.3-73.2000112.1K267 E273K267-Y269 VanDerWaalsContact C-N 3.28Å; K267-Y269 HydrophobicContact CB-CD2 4.47Å; K267-Y269 HydrophobicContact CB-CE2 4.06Å; K267-Y269 WeakPolarHBondContact O-CD2 3.33Å; K267-Y269 PolarHBondContact O-N 3.07Å; Y269-E273 WeakPolarHBondContact CA-OE2 3.48Å; Y269-E273 HydrophobicContact CD1-CB 4Å; Y269-E273 WeakPolarHBondContact CD1-OE2 3.27Å
270T81.8Confident68.6Low66 Ų66121.4 Ų121.441%0.40563%0.628SS.*  trans-65.7160.8174.266.20000111.2S268 E272 E273 Y274S268-T270 PolarHBondContact O-N 3.33Å; T270-E272 PolarHBondContact O-N 2.98Å; T270-E273 WeakPolarHBondContact CB-OE1 3.13Å; T270-E273 WeakPolarHBondContact CG2-OE1 3.47Å; T270-E273 PolarHBondContact N-OE2 2.91Å; T270-E273 PolarHBondContact O-N 3.06Å; T270-E273 WeakPolarHBondContact OG1-CG 3.37Å; T270-E273 PolarHBondContact OG1-N 3.26Å; T270-E273 PolarHBondContact OG1-OE1 3.24Å; T270-Y274 PolarHBondContact O-N 3.29Å
271L85.2Confident70Confident138 Ų138119.6 Ų119.672%0.72362%0.62SS**Hα-helixtrans-60.2-17.5175.5-70.1178.3000113.2K275L271-K275 WeakPolarHBondContact O-CD 3.23Å; L271-K275 WeakPolarHBondContact O-CE 3.43Å; L271-K275 WeakPolarHBondContact O-CG 3.47Å; L271-K275 PolarHBondContact O-N 3.2Å
272E82.6Confident70.9Confident152 Ų152119.7 Ų119.771%0.7161%0.607SS**Hα-helixtrans-87.5-43.1176.6-56.1-162.7157.200111.1T270 K275 A276T270-E272 PolarHBondContact O-N 2.98Å; E272-K275 WeakPolarHBondContact O-CB 3.43Å; E272-K275 PolarHBondContact O-N 2.75Å; E272-A276 WeakPolarHBondContact O-CB 3.24Å; E272-A276 PolarHBondContact O-N 3.37Å
273E83.6Confident71.6Confident88 Ų88119.1 Ų119.141%0.41161%0.605SS.*Hα-helixtrans-61.7-43.7171.3-71148.8-123.900112.4Y269 T270 K275 A276 M277Y269-E273 WeakPolarHBondContact CA-OE2 3.48Å; Y269-E273 HydrophobicContact CD1-CB 4Å; Y269-E273 WeakPolarHBondContact CD1-OE2 3.27Å; T270-E273 WeakPolarHBondContact CB-OE1 3.13Å; T270-E273 WeakPolarHBondContact CG2-OE1 3.47Å; T270-E273 PolarHBondContact N-OE2 2.91Å; T270-E273 PolarHBondContact O-N 3.06Å; T270-E273 WeakPolarHBondContact OG1-CG 3.37Å; T270-E273 PolarHBondContact OG1-N 3.26Å; T270-E273 PolarHBondContact OG1-OE1 3.24Å; E273-K275 VanDerWaalsContact C-N 3.27Å; E273-K275 PolarHBondContact O-N 2.91Å; E273-A276 PolarHBondContact O-N 2.99Å; E273-A276 VanDerWaalsContact O-N 3.13Å; E273-M277 WeakPolarHBondContact O-CB 3.2Å; E273-M277 PolarHBondContact O-N 3.49Å
274Y80.4Confident71.9Confident107 Ų107113.7 Ų113.742%0.4259%0.594SS.*Hα-helixtrans-66.1-31.7177.8-164.5-90.6000111.6T270 M277 R278T270-Y274 PolarHBondContact O-N 3.29Å; Y274-M277 HydrophobicContact CD2-CE 3.82Å; Y274-M277 HydrophobicContact CE2-CE 3.81Å; Y274-R278 HydrophobicContact CD1-CG 3.95Å; Y274-R278 HydrophobicContact CE1-CG 3.67Å; Y274-R278 VanDerWaalsContact O-CB 3.26Å; Y274-R278 WeakPolarHBondContact O-CB 3.46Å; Y274-R278 VanDerWaalsContact O-CG 3.24Å; Y274-R278 WeakPolarHBondContact O-CG 3.49Å; Y274-R278 PolarHBondContact O-N 2.82Å; Y274-R278 PolarHBondContact OH-NE 2.92Å; Y274-R278 PolarHBondContact OH-NH2 2.81Å
275K86.3Confident72Confident119 Ų119111.9 Ų111.952%0.51759%0.593SS.*Hα-helixtrans-69.1-41169.9-75.9167.6-163.6164.20111.9L271 E272 E273 R278 Q279L271-K275 WeakPolarHBondContact O-CD 3.23Å; L271-K275 WeakPolarHBondContact O-CE 3.43Å; L271-K275 WeakPolarHBondContact O-CG 3.47Å; L271-K275 PolarHBondContact O-N 3.2Å; E272-K275 WeakPolarHBondContact O-CB 3.43Å; E272-K275 PolarHBondContact O-N 2.75Å; E273-K275 VanDerWaalsContact C-N 3.27Å; E273-K275 PolarHBondContact O-N 2.91Å; K275-R278 PolarHBondContact O-N 3.36Å; K275-Q279 WeakPolarHBondContact O-CB 3.46Å; K275-Q279 VanDerWaalsContact O-CG 3.23Å; K275-Q279 WeakPolarHBondContact O-CG 3.38Å; K275-Q279 PolarHBondContact O-N 3.33Å
276A80.9Confident71.9Confident55 Ų55110.1 Ų110.146%0.45559%0.588SS.*Hα-helixtrans-64.5-46.6176.700000110.9E272 E273 Q279 S280E272-A276 WeakPolarHBondContact O-CB 3.24Å; E272-A276 PolarHBondContact O-N 3.37Å; E273-A276 PolarHBondContact O-N 2.99Å; E273-A276 VanDerWaalsContact O-N 3.13Å; A276-Q279 WeakPolarHBondContact O-CA 3.26Å; A276-Q279 WeakPolarHBondContact O-CB 3.07Å; A276-Q279 PolarHBondContact O-N 2.82Å; A276-S280 PolarHBondContact O-N 3.14Å; A276-S280 PolarHBondContact O-OG 3.18Å
277M80.8Confident71.8Confident77 Ų77109.8 Ų109.838%0.37958%0.579SS.*Hα-helixtrans-60.4-45.8174.2-169.7174.170.300111.1E273 Y274 Q279 S280 S281E273-M277 WeakPolarHBondContact O-CB 3.2Å; E273-M277 PolarHBondContact O-N 3.49Å; Y274-M277 HydrophobicContact CD2-CE 3.82Å; Y274-M277 HydrophobicContact CE2-CE 3.81Å; M277-Q279 PolarHBondContact O-N 2.96Å; M277-S280 PolarHBondContact O-N 2.8Å; M277-S280 PolarHBondContact O-OG 3.14Å; M277-S281 WeakPolarHBondContact O-CA 3.42Å; M277-S281 WeakPolarHBondContact O-CB 3.46Å; M277-S281 PolarHBondContact O-N 2.81Å; M277-S281 PolarHBondContact O-OG 3.09Å; M277-S281 VanDerWaalsContact O-OG 3.06Å
278R79.7Confident70.8Confident150 Ų150110 Ų11057%0.56659%0.586SS**Hα-helixtrans-65.1-15.9172.4-77-76.8-170.51464.4114.3Y274 K275 K282Y274-R278 HydrophobicContact CD1-CG 3.95Å; Y274-R278 HydrophobicContact CE1-CG 3.67Å; Y274-R278 VanDerWaalsContact O-CB 3.26Å; Y274-R278 WeakPolarHBondContact O-CB 3.46Å; Y274-R278 VanDerWaalsContact O-CG 3.24Å; Y274-R278 WeakPolarHBondContact O-CG 3.49Å; Y274-R278 PolarHBondContact O-N 2.82Å; Y274-R278 PolarHBondContact OH-NE 2.92Å; Y274-R278 PolarHBondContact OH-NH2 2.81Å; K275-R278 PolarHBondContact O-N 3.36Å; R278-K282 WeakPolarHBondContact O-CG 3.45Å
279Q74.2Confident70.1Confident129 Ų129108.7 Ų108.760%0.60357%0.571SS**Hα-helixtrans-90.3-38.4175.3-76.9176.951.600112.2K275 A276 M277K275-Q279 WeakPolarHBondContact O-CB 3.46Å; K275-Q279 VanDerWaalsContact O-CG 3.23Å; K275-Q279 WeakPolarHBondContact O-CG 3.38Å; K275-Q279 PolarHBondContact O-N 3.33Å; A276-Q279 WeakPolarHBondContact O-CA 3.26Å; A276-Q279 WeakPolarHBondContact O-CB 3.07Å; A276-Q279 PolarHBondContact O-N 2.82Å; M277-Q279 PolarHBondContact O-N 2.96Å
280S70.7Confident69.2Low96 Ų96112.6 Ų112.667%0.67159%0.59SS**Hα-helixtrans-79.5-32.6174.259.70000113.1A276 M277 K282A276-S280 PolarHBondContact O-N 3.14Å; A276-S280 PolarHBondContact O-OG 3.18Å; M277-S280 PolarHBondContact O-N 2.8Å; M277-S280 PolarHBondContact O-OG 3.14Å; S280-K282 VanDerWaalsContact C-N 3.3Å; S280-K282 PolarHBondContact O-N 3.22Å
281S63.9Low67.8Low71 Ų71112.7 Ų112.750%0.49760%0.604SS.*SBendtrans-85.86.5176.593.90000113.7M277 P283M277-S281 WeakPolarHBondContact O-CA 3.42Å; M277-S281 WeakPolarHBondContact O-CB 3.46Å; M277-S281 PolarHBondContact O-N 2.81Å; M277-S281 PolarHBondContact O-OG 3.09Å; M277-S281 VanDerWaalsContact O-OG 3.06Å; S281-P283 VanDerWaalsContact O-CD 3.26Å; S281-P283 WeakPolarHBondContact O-CD 3.47Å; S281-P283 VanDerWaalsContact O-N 3.17Å
282K61Low66.3Low135 Ų135112.9 Ų112.959%0.58761%0.605SS**SBendtrans-58.7117.9157.3-82.5163.5-170.5173.90105.6R278 S280 A284R278-K282 WeakPolarHBondContact O-CG 3.45Å; S280-K282 VanDerWaalsContact C-N 3.3Å; S280-K282 PolarHBondContact O-N 3.22Å; K282-A284 PolarHBondContact O-N 3.19Å
283P58.1Low65.2Low106 Ų106116.7 Ų116.769%0.68861%0.613SS**  trans-58.9114.917025.4-31.8000106.1S281 V285S281-P283 VanDerWaalsContact O-CD 3.26Å; S281-P283 WeakPolarHBondContact O-CD 3.47Å; S281-P283 VanDerWaalsContact O-N 3.17Å; P283-V285 HydrophobicContact CB-CG2 4.15Å; P283-V285 HydrophobicContact CG-CG2 4.16Å; P283-V285 PolarHBondContact O-N 2.91Å
284A55.3Low64.4Low82 Ų82120.3 Ų120.368%0.67863%0.627SS**  trans-62.391.7157.400000104.4K282 L286K282-A284 PolarHBondContact O-N 3.19Å; A284-L286 PolarHBondContact O-N 3.03Å
285V55.6Low63.6Low108 Ų108119.7 Ų119.766%0.65564%0.644SS**  trans-69.479.8174.8-172.70000105.7P283 L287P283-V285 HydrophobicContact CB-CG2 4.15Å; P283-V285 HydrophobicContact CG-CG2 4.16Å; P283-V285 PolarHBondContact O-N 2.91Å; V285-L287 HydrophobicContact CG1-CD2 3.84Å; V285-L287 HydrophobicContact CG1-CG 4Å; V285-L287 PolarHBondContact O-N 3.17Å
286L57.5Low62.3Low135 Ų135118.9 Ų118.971%0.70765%0.646SS**  trans-65.574.7164.3-71.5166.9000105.8A284 N288A284-L286 PolarHBondContact O-N 3.03Å; L286-N288 VanDerWaalsContact C-N 3.26Å; L286-N288 PolarHBondContact O-N 3.05Å
287L55.5Low61.1Low120 Ų120121.5 Ų121.563%0.62865%0.652SS**  trans-50103.6157.2-66.7178.5000104.5V285 N289V285-L287 HydrophobicContact CG1-CD2 3.84Å; V285-L287 HydrophobicContact CG1-CG 4Å; V285-L287 PolarHBondContact O-N 3.17Å; L287-N289 PolarHBondContact O-N 3.19Å
288N53.1Low60.2Low136 Ų136121.7 Ų121.773%0.72767%0.673SS**  trans-74.763.3-173.6-86.6-49000109L286 K290L286-N288 VanDerWaalsContact C-N 3.26Å; L286-N288 PolarHBondContact O-N 3.05Å; N288-K290 PolarHBondContact O-N 2.95Å
289N53.9Low59.6Low87 Ų87122.4 Ų122.447%0.46568%0.681SS.*  trans-73.866.7-175.9-68.5-23.3000108.8L287 G291 L292L287-N289 PolarHBondContact O-N 3.19Å; N289-G291 PolarHBondContact O-N 3.43Å; N289-G291 VanDerWaalsContact O-N 3.1Å; N289-L292 HydrophobicContact CB-CD1 4.36Å; N289-L292 HydrophobicContact CB-CD2 4.48Å; N289-L292 HydrophobicContact CB-CG 3.74Å; N289-L292 WeakPolarHBondContact O-CB 3.42Å; N289-L292 WeakPolarHBondContact O-CG 3.45Å; N289-L292 PolarHBondContact O-N 3.16Å
290K53.9Low59.5Low208 Ų208121 Ų12190%0.90468%0.677SS**THydrogen-bonded Turntrans-62.1-7.7164.7-67.4-177.4177.1178.30111.8N288N288-K290 PolarHBondContact O-N 2.95Å
291G52Low59.4Low67 Ų67121.3 Ų121.369%0.69168%0.675SS**THydrogen-bonded Turntrans-106.140.6161.800000114.1N289 R293N289-G291 PolarHBondContact O-N 3.43Å; N289-G291 VanDerWaalsContact O-N 3.1Å; G291-R293 PolarHBondContact O-N 2.89Å
292L53.9Low59.7Low142 Ų142124.3 Ų124.374%0.74368%0.679SS**  trans-60.580.5170.2-100.4164000110.7N289 K294N289-L292 HydrophobicContact CB-CD1 4.36Å; N289-L292 HydrophobicContact CB-CD2 4.48Å; N289-L292 HydrophobicContact CB-CG 3.74Å; N289-L292 WeakPolarHBondContact O-CB 3.42Å; N289-L292 WeakPolarHBondContact O-CG 3.45Å; N289-L292 PolarHBondContact O-N 3.16Å; L292-K294 PolarHBondContact O-N 2.78Å
293R59.8Low60.1Low232 Ų232121.5 Ų121.588%0.87568%0.681SS**PPolyproline II helixtrans-55133.1159.6-70.9-176.7173.5-176.5-1.6107.1G291 A295G291-R293 PolarHBondContact O-N 2.89Å; R293-A295 PolarHBondContact O-N 3.02Å
294K65.7Low60.7Low165 Ų165123.8 Ų123.872%0.71769%0.687SS**PPolyproline II helixtrans-47.2126.5173.4-77.4-81.4-173.1161.90109.2L292 N296 D297L292-K294 PolarHBondContact O-N 2.78Å; K294-N296 PolarHBondContact O-N 2.95Å; K294-D297 WeakPolarHBondContact CB-OD2 3.33Å
295A64.6Low61.6Low93 Ų93125.8 Ų125.877%0.76968%0.684SS**SBendtrans-55.6124.4168.700000107.2R293 D297R293-A295 PolarHBondContact O-N 3.02Å; A295-D297 PolarHBondContact O-N 2.9Å; A295-D297 VanDerWaalsContact O-N 3.14Å
296N57.8Low62.6Low103 Ų103125.7 Ų125.755%0.55168%0.684SS**  trans-42.1113.9-154.4-171.234.3000113.7K294 G298 K299 V301K294-N296 PolarHBondContact O-N 2.95Å; N296-G298 PolarHBondContact O-N 2.89Å; N296-K299 PolarHBondContact ND2-O 2.84Å; N296-K299 PolarHBondContact OD1-O 3.33Å; N296-V301 WeakPolarHBondContact ND2-CG2 3.24Å
297D56.3Low63.2Low110 Ų110123.1 Ų123.159%0.58868%0.682SS**  trans-72.260.1-171.8-80.6-47.9000112.1K294 A295 K299K294-D297 WeakPolarHBondContact CB-OD2 3.33Å; A295-D297 PolarHBondContact O-N 2.9Å; A295-D297 VanDerWaalsContact O-N 3.14Å; D297-K299 PolarHBondContact O-N 3.37Å
298G62.6Low63.6Low80 Ų80125.8 Ų125.883%0.82569%0.69SS**SBendtrans66.1-13174.900000116.7N296N296-G298 PolarHBondContact O-N 2.89Å
299K66.5Low64Low166 Ų166129.8 Ų129.872%0.72270%0.695SS**  trans-80125.1-179.1-70.3178.5178.5-179.70110.1N296 D297 V301N296-K299 PolarHBondContact ND2-O 2.84Å; N296-K299 PolarHBondContact OD1-O 3.33Å; D297-K299 PolarHBondContact O-N 3.37Å; K299-V301 PolarHBondContact O-N 3.42Å
300D72.3Confident64.3Low100 Ų100135.3 Ų135.354%0.53572%0.715SS.*  trans-60.3122.4175.4-170.9-9.9000109.6F302 A303D300-F302 PolarHBondContact O-N 3.19Å; D300-F302 WeakPolarHBondContact OD1-CB 3.25Å; D300-F302 VanDerWaalsContact OD1-CD2 3.27Å; D300-F302 WeakPolarHBondContact OD1-CD2 3.35Å; D300-F302 PolarHBondContact OD1-N 2.73Å; D300-A303 HydrophobicContact CB-CB 4.28Å; D300-A303 VanDerWaalsContact O-CB 3.24Å; D300-A303 WeakPolarHBondContact O-CB 3.26Å; D300-A303 PolarHBondContact O-N 2.85Å
301V69.2Low64.5Low102 Ų102132 Ų13262%0.61871%0.706SS**THydrogen-bonded Turntrans-63.6-22.9-179.9-166.30000110.3N296 K299N296-V301 WeakPolarHBondContact ND2-CG2 3.24Å; K299-V301 PolarHBondContact O-N 3.42Å
302F68.5Low64.4Low133 Ų133136.9 Ų136.958%0.58371%0.711SS**THydrogen-bonded Turntrans-88.7-3.5177.7-53.1-65.7000113.8D300 N304 M305D300-F302 PolarHBondContact O-N 3.19Å; D300-F302 WeakPolarHBondContact OD1-CB 3.25Å; D300-F302 VanDerWaalsContact OD1-CD2 3.27Å; D300-F302 WeakPolarHBondContact OD1-CD2 3.35Å; D300-F302 PolarHBondContact OD1-N 2.73Å; F302-N304 PolarHBondContact O-N 2.89Å; F302-N304 VanDerWaalsContact O-N 3.17Å; F302-M305 HydrophobicContact CB-CB 4.3Å; F302-M305 HydrophobicContact CB-CE 4.21Å; F302-M305 HydrophobicContact CD1-CB 4.46Å; F302-M305 HydrophobicContact CD1-CE 3.7Å; F302-M305 HydrophobicContact CD1-SD 3.73Å; F302-M305 HydrophobicContact CE1-SD 4.33Å; F302-M305 HydrophobicContact CG-CE 4.24Å; F302-M305 WeakPolarHBondContact O-CB 3.34Å; F302-M305 PolarHBondContact O-N 2.78Å
303A71.1Confident64.1Low76 Ų76137.9 Ų137.963%0.62871%0.712SS**THydrogen-bonded Turntrans-60.7-26.5177.700000113.6D300D300-A303 HydrophobicContact CB-CB 4.28Å; D300-A303 VanDerWaalsContact O-CB 3.24Å; D300-A303 WeakPolarHBondContact O-CB 3.26Å; D300-A303 PolarHBondContact O-N 2.85Å
304N70.1Confident63.5Low154 Ų154132.7 Ų132.782%0.82471%0.705SS**THydrogen-bonded Turntrans-992.3174.7-67.11.6000112.9F302 V306F302-N304 PolarHBondContact O-N 2.89Å; F302-N304 VanDerWaalsContact O-N 3.17Å; N304-V306 PolarHBondContact O-N 3.4Å
305M74.5Confident62.5Low125 Ų125128.7 Ų128.762%0.61670%0.699SS**  trans-81.787.5-177-172.217667.700110.3F302 A307F302-M305 HydrophobicContact CB-CB 4.3Å; F302-M305 HydrophobicContact CB-CE 4.21Å; F302-M305 HydrophobicContact CD1-CB 4.46Å; F302-M305 HydrophobicContact CD1-CE 3.7Å; F302-M305 HydrophobicContact CD1-SD 3.73Å; F302-M305 HydrophobicContact CE1-SD 4.33Å; F302-M305 HydrophobicContact CG-CE 4.24Å; F302-M305 WeakPolarHBondContact O-CB 3.34Å; F302-M305 PolarHBondContact O-N 2.78Å; M305-A307 PolarHBondContact O-N 2.95Å
306V75.9Confident61.7Low106 Ų106133.3 Ų133.364%0.64270%0.704SS**  trans-59119.9170.1178.70000109N304 H308N304-V306 PolarHBondContact O-N 3.4Å; V306-H308 PolarHBondContact O-CD2 2.69Å; V306-H308 PolarHBondContact O-N 3.06Å
307A69.5Low61.2Low80 Ų80134.3 Ų134.366%0.66171%0.709SS**  trans-70.696.2176.400000109.8M305 R309M305-A307 PolarHBondContact O-N 2.95Å; A307-R309 PolarHBondContact O-N 3.35Å
308H63.7Low60.4Low176 Ų176135.5 Ų135.582%0.81572%0.72SS**  trans-69.940.1172.6-71.5-75.1000113.5V306 K310V306-H308 PolarHBondContact O-CD2 2.69Å; V306-H308 PolarHBondContact O-N 3.06Å; H308-K310 PolarHBondContact O-N 3.19Å; H308-K310 VanDerWaalsContact O-N 3.16Å
309R62.1Low59.3Low220 Ų220141.4 Ų141.483%0.8372%0.719SS**  trans-75.296.9157.7-70.4-174.1177.5-174.9-0.9106.7A307 I311A307-R309 PolarHBondContact O-N 3.35Å; R309-I311 VanDerWaalsContact C-N 3.28Å; R309-I311 PolarHBondContact O-N 2.94Å
310K61Low58.1Low204 Ų204142.8 Ų142.889%0.88773%0.728SS**  trans-56.7101.9156.7-69.9-176.5179-178.10106.1H308 Q312H308-K310 PolarHBondContact O-N 3.19Å; H308-K310 VanDerWaalsContact O-N 3.16Å; K310-Q312 VanDerWaalsContact C-N 3.31Å; K310-Q312 PolarHBondContact O-N 2.9Å
311I58.4Low56.9Low137 Ų137144.5 Ų144.570%0.70374%0.742SS**  trans-63.9106.8160.8-61.9175.2000103.2R309 E313R309-I311 VanDerWaalsContact C-N 3.28Å; R309-I311 PolarHBondContact O-N 2.94Å; I311-E313 HydrophobicContact CG2-CG 3.89Å; I311-E313 PolarHBondContact O-N 2.76Å
312Q49.8Very low55.8Low170 Ų170146.6 Ų146.679%0.79475%0.745SS**  trans-72.187168.2-173.5168.83.200105.2K310 V314K310-Q312 VanDerWaalsContact C-N 3.31Å; K310-Q312 PolarHBondContact O-N 2.9Å; Q312-V314 VanDerWaalsContact C-N 3.33Å; Q312-V314 PolarHBondContact O-N 3.33Å
313E47.7Very low54.7Low164 Ų164149.6 Ų149.677%0.76676%0.761SS**  trans-60103.3167.9-67.9-176156.200106I311 S315I311-E313 HydrophobicContact CG2-CG 3.89Å; I311-E313 PolarHBondContact O-N 2.76Å; E313-S315 PolarHBondContact O-N 3.04Å
314V46.2Very low53.7Low122 Ų122153.3 Ų153.374%0.73976%0.763SS**  trans-75.179172.9-178.10000106Q312 E316Q312-V314 VanDerWaalsContact C-N 3.33Å; Q312-V314 PolarHBondContact O-N 3.33Å; V314-E316 PolarHBondContact O-N 3.4Å
315S44.6Very low52.8Low82 Ų82155.1 Ų155.157%0.57377%0.766SS**  trans-57.2125166.948.20000108.2E313 D317E313-S315 PolarHBondContact O-N 3.04Å; S315-D317 PolarHBondContact O-N 2.83Å
316E48.7Very low51.6Low189 Ų189156.5 Ų156.588%0.88378%0.776SS**  trans-76.440-174.1-60.3178.7119.300112.5V314V314-E316 PolarHBondContact O-N 3.4Å
317D45.9Very low50.8Low124 Ų124160 Ų16066%0.66379%0.785SS**  trans-90.9106.6-177.1-74.3-55.9000110.8S315 Y319S315-D317 PolarHBondContact O-N 2.83Å; D317-Y319 PolarHBondContact O-N 2.79Å; D317-Y319 VanDerWaalsContact O-N 3.08Å
318V40.1Very low50.2Low135 Ų135162.1 Ų162.182%0.81879%0.793SS**  trans-73.596-173.7-179.80000111.1
319Y39.5Very low49.9Very low204 Ų204162.5 Ų162.580%0.880%0.795SS**  trans-133.8139.5167.4-76-73.5000112.8D317 V321D317-Y319 PolarHBondContact O-N 2.79Å; D317-Y319 VanDerWaalsContact O-N 3.08Å; Y319-V321 PolarHBondContact O-N 2.83Å
320E41.2Very low49.7Very low196 Ų196160.7 Ų160.792%0.91680%0.796SS**  trans-68.9119.7-166.7-62.9156.615300111.4
321V47.1Very low49.5Very low135 Ų135159.9 Ų159.982%0.81880%0.795SS**  trans-101.9115.6169.4178.20000107.8Y319 E323Y319-V321 PolarHBondContact O-N 2.83Å; V321-E323 PolarHBondContact O-N 3.41Å
322E47.2Very low49.6Very low146 Ų146162.1 Ų162.168%0.68280%0.802SS**  trans-56.4128.8176-65.4-174.2148.400111.1K324E322-K324 PolarHBondContact O-N 3.08Å; E322-K324 VanDerWaalsContact O-N 3.09Å; E322-K324 IonicContact OE2-NZ 2.95Å; E322-K324 PolarHBondContact OE2-NZ 3.13Å
323E43.9Very low50.4Low197 Ų197158.5 Ų158.592%0.92180%0.796SS**  trans-65.9109.1172.9-64.2179.7135.800109.6V321V321-E323 PolarHBondContact O-N 3.41Å
324K51.4Low51.5Low153 Ų153157.7 Ų157.767%0.66580%0.795SS**  trans-119.2100.9166.4-79177.6174.5124.90109.1E322 N326E322-K324 PolarHBondContact O-N 3.08Å; E322-K324 VanDerWaalsContact O-N 3.09Å; E322-K324 IonicContact OE2-NZ 2.95Å; E322-K324 PolarHBondContact OE2-NZ 3.13Å; K324-N326 PolarHBondContact O-N 2.85Å
325E49.5Very low52.7Low193 Ų193158.5 Ų158.590%0.90280%0.795SS**  trans-53.5113.7175.4-60.2169.6121.600109.4
326N50.6Low54.1Low154 Ų154159.8 Ų159.882%0.82480%0.795SS**  trans-112.2117.4161.9-76.4-64.9000106.7K324K324-N326 PolarHBondContact O-N 2.85Å
327E58.7Low55.3Low178 Ų178157.9 Ų157.983%0.83279%0.79SS**  trans-65.7145-176.6-61.5179.3123.100110.8E329E327-E329 PolarHBondContact O-N 3.05Å
328P56.9Low56Low125 Ų125159.1 Ų159.181%0.81279%0.79SS**  trans-73101.4175.129.7-32.7000109.8E330P328-E330 PolarHBondContact O-N 2.95Å
329E56.8Low57.3Low185 Ų185157.7 Ų157.786%0.86479%0.786SS**  trans-50.7132.2176.7-69.8-171.7148.400111.6E327 H331E327-E329 PolarHBondContact O-N 3.05Å; E329-H331 PolarHBondContact O-N 2.84Å; E329-H331 VanDerWaalsContact O-N 3.13Å
330E58.1Low58.1Low182 Ų182156.9 Ų156.985%0.8579%0.787SS**  trans-66.5113.7-167.7-60.7-174.8139.700111.7P328 Q332P328-E330 PolarHBondContact O-N 2.95Å; E330-Q332 PolarHBondContact O-N 2.69Å
331H57.7Low58.6Low187 Ų187151.4 Ų151.487%0.86678%0.776SS**  trans-61.3102.5168.9-74.2-43.1000110E329 S333E329-H331 PolarHBondContact O-N 2.84Å; E329-H331 VanDerWaalsContact O-N 3.13Å; H331-S333 PolarHBondContact O-N 2.76Å
332Q60.3Low58.6Low183 Ų183150.5 Ų150.586%0.85577%0.766SS**  trans-62.293.8174.7-65.5-1784.400110.3E330 I334E330-Q332 PolarHBondContact O-N 2.69Å; Q332-I334 PolarHBondContact O-N 2.87Å; Q332-I334 VanDerWaalsContact O-N 3.09Å
333S65.2Low58.8Low94 Ų94147.6 Ų147.666%0.65776%0.755SS**  trans-70.3101.8175.252.40000109.7H331 D335H331-S333 PolarHBondContact O-N 2.76Å; S333-D335 VanDerWaalsContact C-N 3.34Å; S333-D335 PolarHBondContact O-N 3.1Å
334I72.1Confident59.2Low148 Ų148146.4 Ų146.476%0.75975%0.747SS**  trans-72.493.6169.3-55.4177.4000107.5Q332 I336Q332-I334 PolarHBondContact O-N 2.87Å; Q332-I334 VanDerWaalsContact O-N 3.09Å; I334-I336 HydrophobicContact CG2-CG1 4Å; I334-I336 PolarHBondContact O-N 2.75Å
335D71.9Confident59.3Low139 Ų139142.3 Ų142.374%0.74375%0.748SS**  trans-68.198.3172.8-74.9-28.4000109.6S333 D337S333-D335 VanDerWaalsContact C-N 3.34Å; S333-D335 PolarHBondContact O-N 3.1Å; D335-D337 PolarHBondContact O-N 3.33Å
336I74.2Confident59.5Low109 Ų109139.7 Ų139.756%0.55974%0.74SS**  trans-85.299.7174.8-54.7178000108.5I334 F338I334-I336 HydrophobicContact CG2-CG1 4Å; I334-I336 PolarHBondContact O-N 2.75Å; I336-F338 VanDerWaalsContact C-N 3.31Å; I336-F338 HydrophobicContact CB-CD2 4.17Å; I336-F338 HydrophobicContact CB-CE2 3.75Å; I336-F338 HydrophobicContact CB-CZ 4.31Å; I336-F338 HydrophobicContact CG2-CD1 4.44Å; I336-F338 HydrophobicContact CG2-CD2 3.85Å; I336-F338 HydrophobicContact CG2-CE1 4.1Å; I336-F338 HydrophobicContact CG2-CE2 3.45Å; I336-F338 VanDerWaalsContact CG2-CE2 3.45Å; I336-F338 HydrophobicContact CG2-CG 4.33Å; I336-F338 HydrophobicContact CG2-CZ 3.6Å; I336-F338 VanDerWaalsContact O-CD2 3.25Å; I336-F338 WeakPolarHBondContact O-CD2 3.33Å; I336-F338 PolarHBondContact O-N 3.02Å
337D72.2Confident59.5Low148 Ų148141.3 Ų141.379%0.79174%0.735SS**  trans-64.784.9173-88.7-30.4000111.5D335 S339D335-D337 PolarHBondContact O-N 3.33Å; D337-S339 PolarHBondContact O-N 2.99Å
338F62.3Low59.1Low151 Ų151144.4 Ų144.466%0.66274%0.739SS**  trans-70.868.5169.2-72.1-75.7000111.3I336 F340I336-F338 VanDerWaalsContact C-N 3.31Å; I336-F338 HydrophobicContact CB-CD2 4.17Å; I336-F338 HydrophobicContact CB-CE2 3.75Å; I336-F338 HydrophobicContact CB-CZ 4.31Å; I336-F338 HydrophobicContact CG2-CD1 4.44Å; I336-F338 HydrophobicContact CG2-CD2 3.85Å; I336-F338 HydrophobicContact CG2-CE1 4.1Å; I336-F338 HydrophobicContact CG2-CE2 3.45Å; I336-F338 VanDerWaalsContact CG2-CE2 3.45Å; I336-F338 HydrophobicContact CG2-CG 4.33Å; I336-F338 HydrophobicContact CG2-CZ 3.6Å; I336-F338 VanDerWaalsContact O-CD2 3.25Å; I336-F338 WeakPolarHBondContact O-CD2 3.33Å; I336-F338 PolarHBondContact O-N 3.02Å; F338-F340 HydrophobicContact CB-CE2 4.22Å; F338-F340 WeakPolarHBondContact O-CD2 3.45Å; F338-F340 PolarHBondContact O-N 3.09Å
339S66Low58.8Low105 Ų105150.2 Ų150.273%0.73475%0.745SS**  trans-67.492.7167.3500000109.8D337 A341D337-S339 PolarHBondContact O-N 2.99Å; S339-A341 PolarHBondContact O-N 2.84Å
340F57.5Low58.3Low187 Ų187145.7 Ų145.782%0.8275%0.747SS**  trans-65.986.6162-70.8-87000108.4F338 D342F338-F340 HydrophobicContact CB-CE2 4.22Å; F338-F340 WeakPolarHBondContact O-CD2 3.45Å; F338-F340 PolarHBondContact O-N 3.09Å; F340-D342 PolarHBondContact O-N 2.91Å
341A51.7Low57.8Low81 Ų81140.6 Ų140.667%0.66974%0.744SS**  trans-66.679.6165.900000108.5S339 D343S339-A341 PolarHBondContact O-N 2.84Å; A341-D343 PolarHBondContact O-N 3.13Å
342D46.2Very low57.3Low116 Ų116144.1 Ų144.162%0.6275%0.749SS**  trans-7565.6-179.7-164.626.5000110F340 F344 G345F340-D342 PolarHBondContact O-N 2.91Å; D342-F344 PolarHBondContact O-N 3.31Å; D342-F344 WeakPolarHBondContact OD1-CD2 3.41Å; D342-G345 PolarHBondContact O-N 3.37Å
343D50.8Low56.6Low84 Ų84138.8 Ų138.845%0.44974%0.744SS.*THydrogen-bonded Turntrans-61.9-3.6-178.6-100.8-37.1000113.7A341 G345 N346A341-D343 PolarHBondContact O-N 3.13Å; D343-G345 PolarHBondContact O-N 3.36Å; D343-N346 PolarHBondContact O-N 3.03Å; D343-N346 VanDerWaalsContact O-N 3.14Å; D343-N346 PolarHBondContact OD1-ND2 3.07Å
344F53.4Low55.6Low173 Ų173142.1 Ų142.176%0.75975%0.747SS**THydrogen-bonded Turntrans-57.5-26.2162.1-65.3-91.2000112.1D342D342-F344 PolarHBondContact O-N 3.31Å; D342-F344 WeakPolarHBondContact OD1-CD2 3.41Å
345G53.4Low54.5Low66 Ų66142.9 Ų142.968%0.6875%0.747SS**THydrogen-bonded Turntrans-68.4-33.3171.200000114.6D342 D343 R347D342-G345 PolarHBondContact O-N 3.37Å; D343-G345 PolarHBondContact O-N 3.36Å; G345-R347 VanDerWaalsContact C-N 3.26Å; G345-R347 PolarHBondContact O-N 3.18Å
346N52.6Low53.5Low138 Ų138142 Ų14274%0.73875%0.752SS**THydrogen-bonded Turntrans-78.9-6-178.6-79.1-40000113.4D343D343-N346 PolarHBondContact O-N 3.03Å; D343-N346 VanDerWaalsContact O-N 3.14Å; D343-N346 PolarHBondContact OD1-ND2 3.07Å
347R51.4Low52.2Low189 Ų189144.8 Ų144.871%0.71376%0.755SS**SBendtrans-109.4104.2-176.6-61.4-177.3-170-165.73.2111.4G345G345-R347 VanDerWaalsContact C-N 3.26Å; G345-R347 PolarHBondContact O-N 3.18Å
348R49.5Very low50.9Low243 Ų243141.3 Ų141.392%0.91775%0.754SS**SBendtrans80.460.6161.9-48.1174.1179.5-173.9-0.6118
349R51.5Low50.1Low247 Ų247142.3 Ų142.393%0.93276%0.759SS**SBendtrans-122.4134.7137.8-77.4-169.4174.5179.80.8110G351R349-G351 PolarHBondContact O-N 3.09Å
350G46.2Very low49.2Very low89 Ų89145.3 Ų145.392%0.91877%0.767SS**  trans-74.1106.2-155.400000115.7
351G47.2Very low48.8Very low75 Ų75146.8 Ų146.877%0.77377%0.767SS**  trans-90.7121.7153.400000110.1R349 G353R349-G351 PolarHBondContact O-N 3.09Å; G351-G353 PolarHBondContact O-N 2.69Å
352R47.5Very low48.5Very low261 Ų261146.6 Ų146.699%0.98577%0.772SS**  trans-78.8113.5173.5-67178.8-178.8170.6-0.2108.8
353G45.1Very low48.4Very low72 Ų72151 Ų15174%0.74278%0.78SS**  trans-140.639.7-176.700000113.6G351 E355G351-G353 PolarHBondContact O-N 2.69Å; G353-E355 PolarHBondContact O-N 3.47Å
354F44.7Very low48.1Very low164 Ų164152.9 Ų152.972%0.71979%0.791SS**  trans-81.440.6-176-137.8-65.8000112.8
355E49.8Very low47.9Very low164 Ų164150.8 Ų150.877%0.76679%0.791SS**  trans-130.864.3-171.9-89.9176.9176.100112.6G353G353-E355 PolarHBondContact O-N 3.47Å
356S49.5Very low47.5Very low121 Ų121152.2 Ų152.285%0.84680%0.797SS**  trans-150.954.1142.5-79.60000110.2G358S356-G358 VanDerWaalsContact C-N 3.33Å; S356-G358 PolarHBondContact O-N 3.03Å
357R46.9Very low47.2Very low166 Ų166157.1 Ų157.163%0.62681%0.805SS**  trans-68.497.3157.3-74.8-175.6-178.3157.34.8107.6F359R357-F359 PolarHBondContact O-N 3.46Å
358G45.4Very low46.8Very low75 Ų75152 Ų15277%0.77381%0.812SS**SBendtrans-69.949.2160.800000111.7S356S356-G358 VanDerWaalsContact C-N 3.33Å; S356-G358 PolarHBondContact O-N 3.03Å
359F45.8Very low46.6Very low172 Ų172146 Ų14675%0.75481%0.813SS**SBendtrans-160.8104.2176.8-104.6-70.3000108.7R357 R361R357-F359 PolarHBondContact O-N 3.46Å; F359-R361 PolarHBondContact O-N 3.18Å
360D46.9Very low46Very low168 Ų168137.7 Ų137.790%0.89881%0.805SS**  trans-60.2115.4177.8-62.3-85.6000111.4
361R48.9Very low46.1Very low219 Ų219139.5 Ų139.583%0.82680%0.801SS**  trans-124.998.1165-73.4-165.6-175.9-178.22.8109.4F359F359-R361 PolarHBondContact O-N 3.18Å
362G44.9Very low46Very low76 Ų76147.4 Ų147.478%0.78481%0.807SS**  trans41.690.3156.100000116.8
363R45.9Very low46Very low209 Ų209139.4 Ų139.479%0.78979%0.791SS**  trans-84.9121137-80.3-156.5-170.2-161.46.2109.1
364D44.6Very low46.2Very low124 Ų124145 Ų14566%0.66380%0.798SS**  58.191.5129.7-45.8-35.3000117.7
365V49.2Very low46.2Very low128 Ų128149.5 Ų149.578%0.77681%0.81SS**  44.296.8127.7-174.50000116R367V365-R367 PolarHBondContact O-N 2.96Å; V365-R367 VanDerWaalsContact O-N 3.09Å
366A44.8Very low46Very low96 Ų96145.3 Ų145.379%0.79381%0.811SS**SBendtrans-64107.5155.600000110.3
367R46Very low45.9Very low241 Ų241143 Ų14391%0.90981%0.806SS**  trans154.8117152.9-86152.3-175.9165.61.1110V365V365-R367 PolarHBondContact O-N 2.96Å; V365-R367 VanDerWaalsContact O-N 3.09Å
368G42.8Very low45.9Very low83 Ų83147.4 Ų147.486%0.85682%0.823SS**  trans166.897.2172.600000114.1
369A45.4Very low45.9Very low115 Ų115147.8 Ų147.895%0.9583%0.827SS**  trans-55.9149.4-175.100000116.5
370G37.8Very low46Very low73 Ų73152 Ų15275%0.75384%0.837SS**  trans146.390.3154.700000117.2
371P48.4Very low46Very low128 Ų128146.9 Ų146.983%0.83183%0.825SS**  trans-90.6136.8170.134.2-31.2000112.3
372R46.6Very low45.9Very low240 Ų240145.4 Ų145.491%0.90683%0.827SS**  trans-164.4140.7158.9-125.4169.7-178.5133.31.7115.2
373S45.7Very low46Very low94 Ų94149.7 Ų149.766%0.65783%0.83SS**  trans46.9108.4156.153.60000118.8
374E49.9Very low46Very low188 Ų188150.3 Ų150.388%0.87983%0.832SS**  75.183.166.9-67.3175.8173.700115.8
375R45.9Very low46.1Very low260 Ų260150.5 Ų150.598%0.98184%0.843SS**  trans-176.1141.6147-104.7168.3-178.9-176.20.4108.2
376G44.1Very low45.9Very low76 Ų76151.1 Ų151.178%0.78484%0.843SS**  cis159.5120.1-7.500000111
377G47.5Very low46.1Very low71 Ų71150.6 Ų150.673%0.73285%0.846SS**  trans91.2110.5-173.800000111.7
378R47.4Very low46.2Very low260 Ų260150.3 Ų150.398%0.98185%0.845SS**  68.9107.351.1-60.2-173175.3178.2-0.4113.4
379G45.5Very low46.4Very low83 Ų83149.4 Ų149.486%0.85684%0.836SS**  trans-17966.3175.300000112.3
380R47.3Very low46.5Very low260 Ų260155.6 Ų155.698%0.98184%0.835SS**  trans-100.8121.2176.1-89.8-170.5176.5-176.5-0111.6
381G46.7Very low47Very low61 Ų61154.9 Ų154.963%0.62983%0.827SS**  trans-149141.3150.200000106.2
382Q48.4Very low46.8Very low188 Ų188159.2 Ų159.288%0.87983%0.833SS**  cis51.3123.334.6-53.6-166.9-1.900110.4
383I45.8Very low46.8Very low166 Ų166151.3 Ų151.385%0.85183%0.827SS**  cis-132.3164.142-74.8157.1000112.8
384R45.6Very low46.5Very low221 Ų221158.8 Ų158.883%0.83484%0.84SS**  trans-74.7157.7178.4-52.2163.9-176147-1.7111.9
385S47.8Very low46.3Very low128 Ų128156 Ų15690%0.89584%0.836SS**  trans-150.7125148-94.10000110.6
386D45.3Very low46.4Very low142 Ų142151.5 Ų151.576%0.75983%0.831SS**  trans-83.1121.3180-61.9-90.5000111.9
387G47.1Very low46.4Very low84 Ų84153 Ų15387%0.86683%0.826SS**  trans-109.894.7175.500000112.1
388R49.2Very low46.7Very low235 Ų235156 Ų15689%0.88782%0.824SS**  trans-89.1128.2-174.9-60.2176.8-175.81691113.1
389G46.8Very low46.6Very low64 Ų64150.9 Ų150.966%0.6682%0.816SS**  trans-180114.4161.800000108
390R47.7Very low47.1Very low246 Ų246153.3 Ų153.393%0.92881%0.81SS**  48.7115.355.1-53.2-171.3-176.6-158.62.2110.7
391G47.9Very low47.2Very low58 Ų58149.5 Ų149.560%0.59880%0.803SS**  cis141.1165.23.700000110.2
392F44.7Very low48.2Very low219 Ų219154.2 Ų154.296%0.96181%0.812SS**  trans65.5156.1-174.6-40.2-78.4000113.3
393G46.3Very low49.2Very low74 Ų74150.3 Ų150.376%0.76380%0.803SS**  cis-160.2167.8-3.300000111.1
394R40.6Very low50.4Low251 Ų251147.8 Ų147.895%0.94780%0.797SS**  trans-84.9126.3-177-48.8166.5-175.2164.4-1.7111
395V45.7Very low51.6Low130 Ų130143 Ų14379%0.78879%0.794SS**  trans-151.7127.7148.8-178.20000110.7
396L46.3Very low52.5Low165 Ų165140.7 Ų140.786%0.86478%0.783SS**  trans-124.1161.7141.4-70.8172.7000105.5
397P45.1Very low53.5Low106 Ų106140.9 Ų140.969%0.68878%0.783SS**  cis-119.3179.5-4.941.4-29.1000112.6
398I54.2Low54Low134 Ų134144 Ų14469%0.68778%0.78SS**  trans-137.2123.2161.8-63.4-177.4000108.8D400I398-D400 HydrophobicContact CG2-CB 3.9Å; I398-D400 WeakPolarHBondContact CG2-OD2 3.16Å
399N44.6Very low54.4Low154 Ų154136.3 Ų136.382%0.82476%0.756SS**  trans-108.681.4169.9-82.8-17.7000108.3
400D55.6Low55.2Low134 Ų134140.4 Ų140.472%0.71776%0.763SS**  trans-98.8150.4179.7-80.3-13.3000112.6I398I398-D400 HydrophobicContact CG2-CB 3.9Å; I398-D400 WeakPolarHBondContact CG2-OD2 3.16Å
401H50.5Low56.1Low179 Ų179136.4 Ų136.483%0.82976%0.755SS**  trans-74.6137.3-159.6-53.2-40.9000115.5
402I67.1Low56.9Low160 Ų160139.4 Ų139.482%0.82175%0.753SS**  trans-127.7117.2146-58.4178.7000107
403P69.9Low57.6Low106 Ų106135.2 Ų135.269%0.68874%0.735SS**PPolyproline II helixtrans-73.9144.7173.530.8-33.5000110.7
404P70Confident58.5Low113 Ų113137.3 Ų137.373%0.73474%0.735SS**PPolyproline II helixtrans-66.5154.7169.930-34.7000110.9
405P71.7Confident60Low120 Ų120130.2 Ų130.278%0.77972%0.724SS**PPolyproline II helixtrans-61.1145.2176.826.1-34.4000111.9I407P405-I407 PolarHBondContact O-N 3.3Å
406A66.9Low60.6Low80 Ų80130.7 Ų130.766%0.66172%0.721SS**  trans-79.2109.1-173.600000111.8N408A406-N408 PolarHBondContact O-N 2.9Å
407I64.7Low60.8Low146 Ų146135 Ų13575%0.74973%0.733SS**SBendtrans-71.18.3-174.1-32.6178.9000113.6P405P405-I407 PolarHBondContact O-N 3.3Å
408N58.4Low61.6Low151 Ų151136.5 Ų136.581%0.80774%0.735SS**  trans-115.831.1-172.3-64.23.1000112.2A406A406-N408 PolarHBondContact O-N 2.9Å
409N57.1Low62Low73 Ų73136.6 Ų136.639%0.3974%0.738SS.*  trans-96.5101-178.2-163.921.1000110.2Q411 E412N409-Q411 PolarHBondContact O-N 3.02Å; N409-E412 HydrophobicContact CB-CG 4.48Å; N409-E412 PolarHBondContact ND2-OE1 2.99Å; N409-E412 PolarHBondContact O-N 2.78Å
410D64.6Low63Low149 Ų149135.6 Ų135.680%0.79773%0.733SS**THydrogen-bonded Turntrans-60.33.4-175.2-74.7-17.3000115.5
411Q65.5Low63.4Low163 Ų163135.7 Ų135.776%0.76273%0.734SS**THydrogen-bonded Turntrans-91.7-21.3173.9-63.3-173-29.100113.4N409N409-Q411 PolarHBondContact O-N 3.02Å
412E64.6Low64.2Low120 Ų120133 Ų13356%0.56173%0.728SS**SBendtrans-86.7-15-170.8-70.9170.1-146.700113.8N409 P414N409-E412 HydrophobicContact CB-CG 4.48Å; N409-E412 PolarHBondContact ND2-OE1 2.99Å; N409-E412 PolarHBondContact O-N 2.78Å; E412-P414 WeakPolarHBondContact O-CD 3.2Å
413F61Low64Low132 Ų132131.2 Ų131.258%0.57972%0.722SS**  trans-124.271.9177.1-65.9-77.9000112.5S415 L416F413-S415 PolarHBondContact O-N 2.94Å; F413-L416 HydrophobicContact CB-CD1 4.01Å; F413-L416 HydrophobicContact CD1-CD1 4.42Å; F413-L416 HydrophobicContact CG-CD1 4.4Å; F413-L416 PolarHBondContact O-N 3.09Å
414P64.7Low63.6Low117 Ų117133 Ų13376%0.7672%0.724SS**THydrogen-bonded Turntrans-64.1-8.9177.227.2-35.5000114.1E412E412-P414 WeakPolarHBondContact O-CD 3.2Å
415S71.3Confident63.1Low102 Ų102134.5 Ų134.571%0.71372%0.723SS**THydrogen-bonded Turntrans-94.718.9-178670000114.9F413F413-S415 PolarHBondContact O-N 2.94Å
416L59.4Low62.4Low140 Ų140135.8 Ų135.873%0.73372%0.719SS**  trans-124.927.2-176.2-100.7123.8000113.6F413F413-L416 HydrophobicContact CB-CD1 4.01Å; F413-L416 HydrophobicContact CD1-CD1 4.42Å; F413-L416 HydrophobicContact CG-CD1 4.4Å; F413-L416 PolarHBondContact O-N 3.09Å
417K50.1Low61.9Low256 Ų256140.8 Ų140.8100%1.11372%0.724SS**  trans-121.30170.4-77.3177.1176.4164.40110.7

Retrieved 417 of 417 residues in 43.1 ms (Link to these results)