A0A3Q0KME1_SCHMA Loading...

Putative collagen alpha-1(I) chain

AlphaFold DB , UniProt , Accession A0A3Q0KME1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,298 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M46.6Very low60.8Low214 Ų214139.3 Ų139.3100%1.05467%0.665SS**  0-26.40-69.4178.7174.600114.3K3 Q4M1-K3 PolarHBondContact O-N 3.21Å; M1-Q4 PolarHBondContact O-N 2.83Å
2T49.7Very low62.2Low118 Ų118135.9 Ų135.972%0.72465%0.653SS**Hα-helixtrans-61.8-36-171-20.10000115.8Q4T2-Q4 VanDerWaalsContact C-N 3.27Å; T2-Q4 PolarHBondContact O-N 3.02Å
3K50.6Low63.8Low195 Ų195132.1 Ų132.185%0.84864%0.637SS**Hα-helixtrans-65.3-25.2-180-75-170173.7-175.20114.3M1M1-K3 PolarHBondContact O-N 3.21Å
4Q50.8Low64.7Low142 Ų142128.4 Ų128.466%0.66462%0.621SS**Hα-helixtrans-79.7-31-174.5-160.41706.700112.5M1 T2 F7 I8M1-Q4 PolarHBondContact O-N 2.83Å; T2-Q4 VanDerWaalsContact C-N 3.27Å; T2-Q4 PolarHBondContact O-N 3.02Å; Q4-F7 PolarHBondContact O-N 3.45Å; Q4-I8 PolarHBondContact O-N 3.41Å
5K55.6Low65.4Low157 Ų157124.4 Ų124.468%0.68361%0.607SS**Hα-helixtrans-64.2-44.8174.3-73.6-167.2172.2-171.30111.8F7 I8 T9K5-F7 PolarHBondContact O-N 3.38Å; K5-I8 PolarHBondContact O-N 2.84Å; K5-I8 VanDerWaalsContact O-N 3.15Å; K5-T9 PolarHBondContact O-N 3.43Å; K5-T9 PolarHBondContact O-OG1 3.13Å; K5-T9 VanDerWaalsContact O-OG1 3.14Å
6N59.8Low66.2Low113 Ų113123 Ų12360%0.60460%0.603SS**Hα-helixtrans-60.5-33.6-179.1-66.821.9000112.8T9 F10N6-T9 PolarHBondContact O-N 2.91Å; N6-F10 WeakPolarHBondContact O-CB 3.1Å; N6-F10 PolarHBondContact O-N 3.32Å
7F60.3Low67Low139 Ų139121.4 Ų121.461%0.6160%0.596SS**Hα-helixtrans-69-40.7177.9-151.5-95.7000111.8Q4 K5 F10 Y11Q4-F7 PolarHBondContact O-N 3.45Å; K5-F7 PolarHBondContact O-N 3.38Å; F7-F10 PolarHBondContact O-N 3.02Å; F7-Y11 HydrophobicContact CD1-CD2 4.04Å; F7-Y11 HydrophobicContact CD1-CE2 4.3Å; F7-Y11 AromaticContact CE1-CD2 3.81Å; F7-Y11 HydrophobicContact CE1-CD2 3.81Å; F7-Y11 AromaticContact CE1-CE2 3.6Å; F7-Y11 HydrophobicContact CE1-CE2 3.6Å; F7-Y11 HydrophobicContact CZ-CE2 4.17Å; F7-Y11 PolarHBondContact O-N 3.21Å
8I70.8Confident67.4Low102 Ų102125.2 Ų125.252%0.52360%0.603SS.*Hα-helixtrans-64.5-43.3174.1-61.3169.7000110.5Q4 K5 F10 Y11 L12Q4-I8 PolarHBondContact O-N 3.41Å; K5-I8 PolarHBondContact O-N 2.84Å; K5-I8 VanDerWaalsContact O-N 3.15Å; I8-F10 VanDerWaalsContact C-N 3.35Å; I8-F10 PolarHBondContact O-N 3.33Å; I8-Y11 PolarHBondContact O-N 3.37Å; I8-L12 HydrophobicContact CG2-CD1 4.03Å; I8-L12 WeakPolarHBondContact O-CB 3.21Å; I8-L12 WeakPolarHBondContact O-CG 3.3Å; I8-L12 PolarHBondContact O-N 2.73Å
9T73.6Confident67.8Low75 Ų75122.8 Ų122.846%0.4660%0.597SS.*Hα-helixtrans-63.1-39.6175.9-52.40000112.1K5 N6 L12 I13K5-T9 PolarHBondContact O-N 3.43Å; K5-T9 PolarHBondContact O-OG1 3.13Å; K5-T9 VanDerWaalsContact O-OG1 3.14Å; N6-T9 PolarHBondContact O-N 2.91Å; T9-L12 PolarHBondContact O-N 2.95Å; T9-I13 HydrophobicContact CG2-CD1 4.08Å; T9-I13 VanDerWaalsContact O-CG1 3.31Å; T9-I13 WeakPolarHBondContact O-CG1 3.44Å; T9-I13 PolarHBondContact O-N 2.99Å
10F75.4Confident68Low133 Ų133122 Ų12258%0.58360%0.595SS**Hα-helixtrans-67.5-42.5177.5-160.7-107.5000111.8N6 F7 I8 I13 I14N6-F10 WeakPolarHBondContact O-CB 3.1Å; N6-F10 PolarHBondContact O-N 3.32Å; F7-F10 PolarHBondContact O-N 3.02Å; I8-F10 VanDerWaalsContact C-N 3.35Å; I8-F10 PolarHBondContact O-N 3.33Å; F10-I13 PolarHBondContact O-N 3.39Å; F10-I14 HydrophobicContact CD1-CD1 3.73Å; F10-I14 HydrophobicContact CE1-CD1 3.56Å; F10-I14 HydrophobicContact CZ-CD1 4.33Å; F10-I14 WeakPolarHBondContact O-CG1 3.3Å; F10-I14 PolarHBondContact O-N 3.08Å
11Y75.8Confident67.9Low144 Ų144121 Ų12157%0.56559%0.592SS**Hα-helixtrans-61.3-44.1172.5-106.7-96.3000112.4F7 I8 I13 I14 T15F7-Y11 HydrophobicContact CD1-CD2 4.04Å; F7-Y11 HydrophobicContact CD1-CE2 4.3Å; F7-Y11 AromaticContact CE1-CD2 3.81Å; F7-Y11 HydrophobicContact CE1-CD2 3.81Å; F7-Y11 AromaticContact CE1-CE2 3.6Å; F7-Y11 HydrophobicContact CE1-CE2 3.6Å; F7-Y11 HydrophobicContact CZ-CE2 4.17Å; F7-Y11 PolarHBondContact O-N 3.21Å; I8-Y11 PolarHBondContact O-N 3.37Å; Y11-I13 VanDerWaalsContact C-N 3.31Å; Y11-I13 PolarHBondContact O-N 3.49Å; Y11-I14 PolarHBondContact O-N 3.17Å; Y11-T15 PolarHBondContact O-N 3Å; Y11-T15 PolarHBondContact O-OG1 3.04Å
12L78Confident68.7Low99 Ų99116.8 Ų116.852%0.51857%0.568SS.*Hα-helixtrans-62.1-36176.3-79.3167.9000113I8 T9 T15 L16I8-L12 HydrophobicContact CG2-CD1 4.03Å; I8-L12 WeakPolarHBondContact O-CB 3.21Å; I8-L12 WeakPolarHBondContact O-CG 3.3Å; I8-L12 PolarHBondContact O-N 2.73Å; T9-L12 PolarHBondContact O-N 2.95Å; L12-T15 WeakPolarHBondContact CA-OG1 3.43Å; L12-T15 PolarHBondContact O-OG1 3.17Å; L12-L16 VanDerWaalsContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 PolarHBondContact O-N 3.32Å
13I82.2Confident69.1Low86 Ų86115.1 Ų115.144%0.44156%0.557SS.*Hα-helixtrans-69.4-41.7174.9-70.6165.2000110.5T9 F10 Y11 L16 I17T9-I13 HydrophobicContact CG2-CD1 4.08Å; T9-I13 VanDerWaalsContact O-CG1 3.31Å; T9-I13 WeakPolarHBondContact O-CG1 3.44Å; T9-I13 PolarHBondContact O-N 2.99Å; F10-I13 PolarHBondContact O-N 3.39Å; Y11-I13 VanDerWaalsContact C-N 3.31Å; Y11-I13 PolarHBondContact O-N 3.49Å; I13-L16 PolarHBondContact O-N 2.82Å; I13-I17 HydrophobicContact CG2-CD1 3.84Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.38Å; I13-I17 PolarHBondContact O-N 3.31Å
14I77Confident69.4Low81 Ų81110.2 Ų110.242%0.41554%0.544SS..Hα-helixtrans-65.1-43.3176.7-70.7172.4000111.1F10 Y11 I17 W18F10-I14 HydrophobicContact CD1-CD1 3.73Å; F10-I14 HydrophobicContact CE1-CD1 3.56Å; F10-I14 HydrophobicContact CZ-CD1 4.33Å; F10-I14 WeakPolarHBondContact O-CG1 3.3Å; F10-I14 PolarHBondContact O-N 3.08Å; Y11-I14 PolarHBondContact O-N 3.17Å; I14-I17 PolarHBondContact O-N 3.42Å; I14-W18 WeakPolarHBondContact O-CB 3.23Å; I14-W18 PolarHBondContact O-N 3.5Å
15T75.4Confident69.3Low68 Ų68106.3 Ų106.342%0.41754%0.536SS..Hα-helixtrans-68-35.9176.156.60000112.2Y11 L12 W18 V19Y11-T15 PolarHBondContact O-N 3Å; Y11-T15 PolarHBondContact O-OG1 3.04Å; L12-T15 WeakPolarHBondContact CA-OG1 3.43Å; L12-T15 PolarHBondContact O-OG1 3.17Å; T15-W18 PolarHBondContact O-N 3.05Å; T15-V19 WeakPolarHBondContact O-CB 3.28Å; T15-V19 VanDerWaalsContact O-CG2 3.26Å; T15-V19 WeakPolarHBondContact O-CG2 3.18Å; T15-V19 PolarHBondContact O-N 3.39Å
16L78.1Confident68.7Low102 Ų102105.5 Ų105.553%0.53454%0.535SS..Hα-helixtrans-60.9-43.4170.1-98.1155.9000112.3L12 I13 V19 L20L12-L16 VanDerWaalsContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 PolarHBondContact O-N 3.32Å; I13-L16 PolarHBondContact O-N 2.82Å; L16-V19 PolarHBondContact O-N 2.95Å; L16-L20 HydrophobicContact CD2-CD1 3.98Å; L16-L20 WeakPolarHBondContact O-CB 2.92Å; L16-L20 WeakPolarHBondContact O-CD1 3.27Å; L16-L20 PolarHBondContact O-N 2.91Å
17I79.9Confident67.9Low96 Ų96106.6 Ų106.649%0.49254%0.539SS..Hα-helixtrans-65-40.6176.1-69.5165.4000110.7I13 I14 N21I13-I17 HydrophobicContact CG2-CD1 3.84Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.38Å; I13-I17 PolarHBondContact O-N 3.31Å; I14-I17 PolarHBondContact O-N 3.42Å; I17-N21 PolarHBondContact O-N 3.24Å; I17-N21 PolarHBondContact O-ND2 3.2Å
18W73.8Confident66.9Low189 Ų189104.5 Ų104.572%0.71654%0.542SS*.Hα-helixtrans-66.1-44.1177.4-139.776.3000111.7I14 T15 N21 F22I14-W18 WeakPolarHBondContact O-CB 3.23Å; I14-W18 PolarHBondContact O-N 3.5Å; T15-W18 PolarHBondContact O-N 3.05Å; W18-N21 PolarHBondContact O-N 2.97Å; W18-F22 WeakPolarHBondContact O-CB 3.29Å; W18-F22 PolarHBondContact O-N 3.31Å
19V74.9Confident65.4Low80 Ų80105.2 Ų105.249%0.48556%0.556SS.*Hα-helixtrans-64.6-43175.5169.60000111.5T15 L16 N21 F22 V23T15-V19 WeakPolarHBondContact O-CB 3.28Å; T15-V19 VanDerWaalsContact O-CG2 3.26Å; T15-V19 WeakPolarHBondContact O-CG2 3.18Å; T15-V19 PolarHBondContact O-N 3.39Å; L16-V19 PolarHBondContact O-N 2.95Å; V19-N21 VanDerWaalsContact C-N 3.34Å; V19-N21 PolarHBondContact O-N 2.62Å; V19-F22 PolarHBondContact O-N 3.03Å; V19-V23 HydrophobicContact CG1-CG2 4.16Å; V19-V23 WeakPolarHBondContact O-CB 3.38Å; V19-V23 VanDerWaalsContact O-CG2 3.26Å; V19-V23 WeakPolarHBondContact O-CG2 3.41Å; V19-V23 PolarHBondContact O-N 3.18Å
20L71.1Confident64.1Low106 Ų106107.4 Ų107.456%0.55557%0.572SS**Hα-helixtrans-61.3-41.8175.3-97.887.1000111.8L16 V23 T24L16-L20 HydrophobicContact CD2-CD1 3.98Å; L16-L20 WeakPolarHBondContact O-CB 2.92Å; L16-L20 WeakPolarHBondContact O-CD1 3.27Å; L16-L20 PolarHBondContact O-N 2.91Å; L20-V23 PolarHBondContact O-N 2.93Å; L20-T24 WeakPolarHBondContact O-CG2 3.33Å; L20-T24 PolarHBondContact O-N 3.23Å; L20-T24 PolarHBondContact O-OG1 2.97Å; L20-T24 VanDerWaalsContact O-OG1 3.06Å
21N66.4Low62.2Low101 Ų101108.2 Ų108.254%0.5458%0.582SS.*Hα-helixtrans-70-32.8177-78.2-83.5000112.7I17 W18 V19 T24 A25I17-N21 PolarHBondContact O-N 3.24Å; I17-N21 PolarHBondContact O-ND2 3.2Å; W18-N21 PolarHBondContact O-N 2.97Å; V19-N21 VanDerWaalsContact C-N 3.34Å; V19-N21 PolarHBondContact O-N 2.62Å; N21-T24 WeakPolarHBondContact CA-OG1 3.39Å; N21-T24 PolarHBondContact O-OG1 2.7Å; N21-A25 WeakPolarHBondContact O-CB 3.26Å; N21-A25 PolarHBondContact O-N 3.48Å
22F64.1Low60.2Low127 Ų127110.2 Ų110.256%0.55760%0.597SS**Hα-helixtrans-71.3-39.6175-160.9-93.9000111.7W18 V19 A25 Q26W18-F22 WeakPolarHBondContact O-CB 3.29Å; W18-F22 PolarHBondContact O-N 3.31Å; V19-F22 PolarHBondContact O-N 3.03Å; F22-A25 PolarHBondContact O-N 3.19Å; F22-Q26 HydrophobicContact CD1-CG 4.42Å; F22-Q26 HydrophobicContact CE1-CG 4.22Å; F22-Q26 WeakPolarHBondContact O-CG 3.37Å; F22-Q26 PolarHBondContact O-N 2.92Å; F22-Q26 VanDerWaalsContact O-N 3.12Å
23V58.4Low58.6Low82 Ų82110.4 Ų110.450%0.49761%0.612SS.*Hα-helixtrans-69.2-37.6176.2170.30000111.7V19 L20 I27V19-V23 HydrophobicContact CG1-CG2 4.16Å; V19-V23 WeakPolarHBondContact O-CB 3.38Å; V19-V23 VanDerWaalsContact O-CG2 3.26Å; V19-V23 WeakPolarHBondContact O-CG2 3.41Å; V19-V23 PolarHBondContact O-N 3.18Å; L20-V23 PolarHBondContact O-N 2.93Å; V23-I27 HydrophobicContact CG1-CD1 4.48Å; V23-I27 WeakPolarHBondContact O-CG1 3.01Å
24T55.9Low56.4Low93 Ų93115 Ų11557%0.57164%0.637SS**Hα-helixtrans-73.2-30.1172.654.40000112.9L20 N21 Q26 I27L20-T24 WeakPolarHBondContact O-CG2 3.33Å; L20-T24 PolarHBondContact O-N 3.23Å; L20-T24 PolarHBondContact O-OG1 2.97Å; L20-T24 VanDerWaalsContact O-OG1 3.06Å; N21-T24 WeakPolarHBondContact CA-OG1 3.39Å; N21-T24 PolarHBondContact O-OG1 2.7Å; T24-Q26 VanDerWaalsContact C-N 3.32Å; T24-Q26 PolarHBondContact O-N 2.7Å; T24-I27 PolarHBondContact O-N 3.48Å
25A49.1Very low55.4Low60 Ų60113.6 Ų113.650%0.49664%0.642SS.*Hα-helixtrans-72-21.3174.900000114.1N21 F22N21-A25 WeakPolarHBondContact O-CB 3.26Å; N21-A25 PolarHBondContact O-N 3.48Å; F22-A25 PolarHBondContact O-N 3.19Å
26Q42.7Very low54.1Low140 Ų140116.3 Ų116.365%0.65466%0.661SS**THydrogen-bonded Turntrans-91.7-2.7176.3-72.9-66.1-59.200114F22 T24 S28F22-Q26 HydrophobicContact CD1-CG 4.42Å; F22-Q26 HydrophobicContact CE1-CG 4.22Å; F22-Q26 WeakPolarHBondContact O-CG 3.37Å; F22-Q26 PolarHBondContact O-N 2.92Å; F22-Q26 VanDerWaalsContact O-N 3.12Å; T24-Q26 VanDerWaalsContact C-N 3.32Å; T24-Q26 PolarHBondContact O-N 2.7Å; Q26-S28 PolarHBondContact O-N 3.26Å
27I44Very low53Low135 Ų135117.7 Ų117.769%0.69268%0.676SS**  trans-99.866.8173.1-55.8168.5000109V23 T24V23-I27 HydrophobicContact CG1-CD1 4.48Å; V23-I27 WeakPolarHBondContact O-CG1 3.01Å; T24-I27 PolarHBondContact O-N 3.48Å
28S39.2Very low52.2Low96 Ų96116 Ų11667%0.67168%0.682SS**  trans-138.838.2172.967.60000112.9Q26Q26-S28 PolarHBondContact O-N 3.26Å
29S37.8Very low51.4Low116 Ų116113.2 Ų113.281%0.81169%0.688SS**  trans-132.1100.4174.6-66.20000110.8
30P47.1Very low50.5Low122 Ų122120.3 Ų120.379%0.79271%0.706SS**  trans-109.391.4173.235.3-24.3000111.2
31N36.1Very low50Low150 Ų150118.1 Ų118.180%0.80271%0.709SS**  trans-92.6132.2154.7-94.94.2000109.1
32E34.3Very low49.5Very low186 Ų186120.7 Ų120.787%0.86972%0.723SS**  trans59.688.8153.6-57.8-176110.600118.8
33A43.1Very low49.7Very low103 Ų103119.6 Ų119.685%0.85173%0.728SS**  trans-136.5118144.600000109.2G35A33-G35 PolarHBondContact O-N 3.15Å
34L37.2Very low49.7Very low183 Ų183118.5 Ų118.596%0.95873%0.734SS**  trans-79.5106.3-172.2-167.275.9000111.4
35G55.2Low49.9Very low50 Ų50119.7 Ų119.752%0.51574%0.743SS.*PPolyproline II helixtrans-73.9155.7169.700000112.5A33A33-G35 PolarHBondContact O-N 3.15Å
36P48.1Very low50.8Low125 Ų125123 Ų12381%0.81276%0.759SS**PPolyproline II helixtrans-62.3141.1174.327.5-34.4000110.5G38P36-G38 PolarHBondContact O-N 2.9Å
37P55.2Low51.5Low131 Ų131119.2 Ų119.285%0.85176%0.758SS**PPolyproline II helixtrans-57.3124.4177.6-25.334.5000111.4
38G62Low51.9Low60 Ų60119 Ų11962%0.61977%0.766SS**PPolyproline II helixtrans-61.2156.1168.500000110.9P36 R40P36-G38 PolarHBondContact O-N 2.9Å; G38-R40 PolarHBondContact O-N 3.12Å
39P57Low52.7Low131 Ų131123.6 Ų123.685%0.85178%0.777SS**PPolyproline II helixtrans-55.1132.8173.925.1-33.8000109.3G41P39-G41 PolarHBondContact O-N 3.43Å
40R57.3Low53.4Low230 Ų230121.5 Ų121.587%0.86877%0.773SS**  trans-56.4108.1179.2178.7-178.9-177.6173.82.1108.7G38G38-R40 PolarHBondContact O-N 3.12Å
41G60.3Low53.3Low59 Ų59118.9 Ų118.961%0.60877%0.768SS**PPolyproline II helixtrans-56.7148172.500000110.5P39P39-G41 PolarHBondContact O-N 3.43Å
42D55.3Low54.2Low155 Ų155119.7 Ų119.783%0.82977%0.771SS**PPolyproline II helixtrans-52.3140179.1-66.4-63.5000110.5G44D42-G44 PolarHBondContact O-N 2.87Å
43P67.7Low55.2Low104 Ų104113.8 Ų113.868%0.67576%0.76SS**PPolyproline II helixtrans-53.5120.9174.1-23.833.7000109.4
44G60.1Low55.5Low59 Ų59113.1 Ų113.161%0.60876%0.755SS**PPolyproline II helixtrans-52.7142.9171.700000109.4D42D42-G44 PolarHBondContact O-N 2.87Å
45P58.4Low56.7Low119 Ų119110.3 Ų110.377%0.77375%0.747SS**PPolyproline II helixtrans-53.5141.3179.524-34.1000109G47P45-G47 PolarHBondContact O-N 2.72Å; P45-G47 VanDerWaalsContact O-N 3.14Å
46P68.7Low57Low128 Ų128111 Ų11183%0.83175%0.754SS**PPolyproline II helixtrans-47.9126.9176.5-2835000109.8
47G56.9Low57.1Low62 Ų62110.9 Ų110.964%0.63975%0.754SS**PPolyproline II helixtrans-53.3139.2175.800000109P45 E49P45-G47 PolarHBondContact O-N 2.72Å; P45-G47 VanDerWaalsContact O-N 3.14Å; G47-E49 PolarHBondContact O-N 3.04Å
48P52.2Low57.4Low130 Ų130116 Ų11684%0.84476%0.756SS**PPolyproline II helixtrans-52.6129.4-177.522.8-33.5000108.9G50P48-G50 PolarHBondContact O-N 3.37Å; P48-G50 VanDerWaalsContact O-N 3.16Å
49E56.6Low57.3Low193 Ų193115.6 Ų115.690%0.90275%0.752SS**PPolyproline II helixtrans-49.5124.4-173.7-175.2170-149.600109.3G47 G51G47-E49 PolarHBondContact O-N 3.04Å; E49-G51 PolarHBondContact O-N 2.82Å
50G52.5Low56.9Low71 Ų71115 Ų11573%0.73275%0.747SS**  trans-57.6100.4-165.300000110.7P48 I52P48-G50 PolarHBondContact O-N 3.37Å; P48-G50 VanDerWaalsContact O-N 3.16Å; G50-I52 PolarHBondContact O-N 3.17Å
51G46.3Very low57.2Low68 Ų68109.6 Ų109.670%0.70174%0.742SS**  trans-52.4127.1-169.300000110.4E49 G53E49-G51 PolarHBondContact O-N 2.82Å; G51-G53 PolarHBondContact O-N 3.03Å
52I54.8Low57Low167 Ų167109.8 Ų109.886%0.85674%0.744SS**  trans-47.2113.9-178.5-63.2173.5000107.6G50 A54G50-I52 PolarHBondContact O-N 3.17Å; I52-A54 PolarHBondContact O-N 3.12Å
53G55.4Low56.6Low62 Ų62107.9 Ų107.964%0.63974%0.74SS**PPolyproline II helixtrans-51.9126.6-172.700000109.5G51G51-G53 PolarHBondContact O-N 3.03Å
54A48.5Very low56.3Low89 Ų89108.9 Ų108.974%0.73675%0.747SS**PPolyproline II helixtrans-46.6127.2-17400000109.4I52 G56I52-A54 PolarHBondContact O-N 3.12Å; A54-G56 PolarHBondContact O-N 3.12Å
55P63Low56Low124 Ų124109.4 Ų109.481%0.80575%0.752SS**PPolyproline II helixtrans-47.7121.5-176.1-30.735.5000109.9
56G60.7Low55.4Low64 Ų64111.1 Ų111.166%0.6675%0.753SS**PPolyproline II helixtrans-48.3131.8-169.300000110A54 R58A54-G56 PolarHBondContact O-N 3.12Å; G56-R58 PolarHBondContact O-N 2.95Å; G56-R58 VanDerWaalsContact O-N 3.1Å
57P50.7Low54.7Low123 Ų123112.9 Ų112.980%0.79976%0.755SS**PPolyproline II helixtrans-51123.9-164.820-33.2000109.1G59P57-G59 PolarHBondContact O-N 3.1Å
58R61.1Low54.4Low239 Ų239112.9 Ų112.990%0.90276%0.756SS**  trans-43.9116.3-177.6176.9-179.6179176.90.5107.3G56G56-R58 PolarHBondContact O-N 2.95Å; G56-R58 VanDerWaalsContact O-N 3.1Å
59G59.6Low53.9Low51 Ų51116 Ų11653%0.52676%0.759SS.*  trans-47.8138.6-174.100000109.6P57P57-G59 PolarHBondContact O-N 3.1Å
60P47.9Very low53.5Low117 Ų117118.5 Ų118.576%0.7676%0.76SS**  trans-49.5136.5-173.121.6-33.6000108.7G62P60-G62 PolarHBondContact O-N 3.05Å; P60-G62 VanDerWaalsContact O-N 3.12Å
61P63.5Low53.6Low118 Ų118118 Ų11877%0.76676%0.755SS**  trans-45.5128.3174.6-27.334.5000108.4
62G57.9Low53.5Low62 Ų62124 Ų12464%0.63977%0.765SS**  trans-48.9136.6-179.500000108.4P60P60-G62 PolarHBondContact O-N 3.05Å; P60-G62 VanDerWaalsContact O-N 3.12Å
63P46.7Very low53.2Low116 Ų116120.9 Ų120.975%0.75376%0.764SS**  trans-50136.1-175.322.1-33.5000108.4G65P63-G65 PolarHBondContact O-N 2.79Å
64P61.6Low53.3Low125 Ų125120.7 Ų120.781%0.81276%0.762SS**  trans-44.6122.6177.1-29.235.4000108.5I66P64-I66 PolarHBondContact O-N 3.16Å; P64-I66 VanDerWaalsContact O-N 3.12Å
65G53.1Low53.4Low70 Ų70122.6 Ų122.672%0.72277%0.767SS**  trans-51.3125.5-172.300000108.2P63 D67P63-G65 PolarHBondContact O-N 2.79Å; G65-D67 PolarHBondContact O-N 3.16Å; G65-D67 VanDerWaalsContact O-N 3.17Å
66I46.7Very low52.8Low154 Ų154121.5 Ų121.579%0.7977%0.768SS**  trans-42.4124.5-169.147.9171000110.2P64 G68P64-I66 PolarHBondContact O-N 3.16Å; P64-I66 VanDerWaalsContact O-N 3.12Å; I66-G68 PolarHBondContact O-N 3.14Å
67D53Low52.4Low165 Ų165121.8 Ų121.888%0.88277%0.771SS**  trans-52.7107.3174.5-78.7-41.3000107G65 E69G65-D67 PolarHBondContact O-N 3.16Å; G65-D67 VanDerWaalsContact O-N 3.17Å; D67-E69 PolarHBondContact O-N 3.44Å
68G51.4Low52.3Low63 Ų63122.2 Ų122.265%0.64977%0.771SS**  trans-55.3136.3-167.600000109.6I66 R70I66-G68 PolarHBondContact O-N 3.14Å; G68-R70 PolarHBondContact O-N 2.84Å
69E41.5Very low52.2Low195 Ų195117 Ų11791%0.91177%0.768SS**  trans-39.4118.7-170.4-79.6-157.8134.700110.5D67 G71D67-E69 PolarHBondContact O-N 3.44Å; E69-G71 VanDerWaalsContact C-N 3.31Å; E69-G71 PolarHBondContact O-N 3.47Å
70R48.1Very low52Low245 Ų245117.8 Ų117.893%0.92578%0.777SS**  trans-57.299.1-175.5-173.6-174.3-162.21728.6108.2G68 Q72G68-R70 PolarHBondContact O-N 2.84Å; R70-Q72 PolarHBondContact O-N 3.06Å
71G54.2Low52Low60 Ų60118.7 Ų118.762%0.61978%0.78SS**  trans-50.4138.5-169.200000110.4E69 A73E69-G71 VanDerWaalsContact C-N 3.31Å; E69-G71 PolarHBondContact O-N 3.47Å; G71-A73 PolarHBondContact O-N 3.09Å; G71-A73 VanDerWaalsContact O-N 3.12Å
72Q45.1Very low51.7Low195 Ų195119.1 Ų119.191%0.91178%0.783SS**  trans-43.7124.7-177.6-70.6-173.90.200109.4R70 G74R70-Q72 PolarHBondContact O-N 3.06Å; Q72-G74 PolarHBondContact O-N 3.15Å
73A47.8Very low51.6Low102 Ų102119.4 Ų119.484%0.84379%0.787SS**  trans-54112.2-175.800000108.7G71G71-A73 PolarHBondContact O-N 3.09Å; G71-A73 VanDerWaalsContact O-N 3.12Å
74G56.9Low51.3Low57 Ų57126 Ų12659%0.58880%0.796SS**PPolyproline II helixtrans-54.5144.8-175.900000110.2Q72 A76Q72-G74 PolarHBondContact O-N 3.15Å; G74-A76 PolarHBondContact O-N 2.9Å; G74-A76 VanDerWaalsContact O-N 3.15Å
75P50.7Low50.8Low129 Ų129127.5 Ų127.584%0.83880%0.797SS**PPolyproline II helixtrans-52.2127.1-179.823.1-33.7000108.9G77P75-G77 PolarHBondContact O-N 3.16Å
76A50.2Low50.6Low102 Ų102128.1 Ų128.184%0.84380%0.804SS**PPolyproline II helixtrans-52.4116.4-167.200000110.6G74 T78G74-A76 PolarHBondContact O-N 2.9Å; G74-A76 VanDerWaalsContact O-N 3.15Å; A76-T78 PolarHBondContact O-N 2.89Å
77G53Low50.3Low69 Ų69132 Ų13271%0.71181%0.809SS**PPolyproline II helixtrans-55.3130.4-175.700000110.6P75P75-G77 PolarHBondContact O-N 3.16Å
78T48.6Very low50Low132 Ų132129.1 Ų129.181%0.8180%0.802SS**PPolyproline II helixtrans-52.2129173.547.70000109A76 G80A76-T78 PolarHBondContact O-N 2.89Å; T78-G80 PolarHBondContact O-N 3.09Å; T78-G80 VanDerWaalsContact O-N 3.08Å
79P59.4Low49.5Very low129 Ų129129.5 Ų129.584%0.83881%0.806SS**PPolyproline II helixtrans-50119.9-176.7-30.536000111.6T81P79-T81 PolarHBondContact O-N 3.44Å
80G54.5Low49.4Very low69 Ų69126.6 Ų126.671%0.71180%0.801SS**PPolyproline II helixtrans-58.5133.3-179.800000110.3T78T78-G80 PolarHBondContact O-N 3.09Å; T78-G80 VanDerWaalsContact O-N 3.08Å
81T47.9Very low49.4Very low135 Ų135120.9 Ų120.983%0.82880%0.795SS**PPolyproline II helixtrans-55.8125.7173.649.10000109P79 G83P79-T81 PolarHBondContact O-N 3.44Å; T81-G83 PolarHBondContact O-N 3.39Å
82P58.1Low48.9Very low127 Ų127121.4 Ų121.483%0.82580%0.801SS**PPolyproline II helixtrans-51.6131.9-178.2-30.236.2000112.3
83G54.7Low48.9Very low69 Ų69118.2 Ų118.271%0.71180%0.795SS**PPolyproline II helixtrans-59146.2173.900000110.8T81 D85T81-G83 PolarHBondContact O-N 3.39Å; G83-D85 PolarHBondContact O-N 3.01Å
84R40.8Very low48.6Very low254 Ų254122.5 Ų122.596%0.95880%0.797SS**PPolyproline II helixtrans-71.7123.8178.9-75.1178.5167.3-178.2-3.5110.6
85D50.8Low48Very low156 Ų156123.2 Ų123.283%0.83481%0.805SS**PPolyproline II helixtrans-61.7135.4172.8-60.2-53.8000112.5G83G83-D85 PolarHBondContact O-N 3.01Å
86G48.7Very low47.6Very low84 Ų84122.9 Ų122.987%0.86681%0.805SS**PPolyproline II helixtrans-71142.7167.900000112
87R41.8Very low47.4Very low235 Ų235124.4 Ų124.489%0.88781%0.807SS**  trans-109.2156.4-174.9-73.5-175177.5-177.8-2.3111
88S46.6Very low46.8Very low105 Ų105124.6 Ų124.673%0.73481%0.809SS**  cis-173169.2-10.5-92.80000109.5
89G40.9Very low46.5Very low71 Ų71124.8 Ų124.873%0.73281%0.812SS**  trans-168.371.417000000112.9
90V39.8Very low45.6Very low133 Ų133128.4 Ų128.481%0.80682%0.818SS**  36.2145.890-77.90000117
91P46.5Very low45.1Very low125 Ų125128.4 Ų128.481%0.81282%0.818SS**  cis-138.7168.514.539.5-21.1000119.1
92G45.2Very low45Very low71 Ų71130.3 Ų130.373%0.73282%0.821SS**  trans96.3141147.800000117.8
93V43.4Very low44.2Very low129 Ų129131.3 Ų131.378%0.78282%0.824SS**  cis-149.8131.1-3.1-111.10000108.4
94Q42.4Very low44Very low191 Ų191131 Ų13189%0.89382%0.822SS**  57.5130.6100.6-173.4-178.8-10.800115.1
95G45.2Very low44.1Very low73 Ų73125 Ų12575%0.75382%0.815SS**  cis-163.7-175.40.300000109.4
96S41.4Very low44.2Very low121 Ų121123.8 Ų123.885%0.84682%0.816SS**  cis-156.7167.829.354.30000112.5
97P45.6Very low43.7Very low135 Ų135123.2 Ų123.288%0.87781%0.81SS**  trans-123170.9-165.142.5-31.1000116.8
98G41.7Very low43.4Very low73 Ų73121 Ų12175%0.75381%0.81SS**  trans134161.3152.900000115.7
99P40.9Very low43.5Very low135 Ų135121.6 Ų121.688%0.87781%0.811SS**  cis-113.1174.4-140.3-30.3000114.3
100Q41Very low43.4Very low206 Ų206122.2 Ų122.296%0.96382%0.817SS**  trans-101.7157.6167.8-75.9-178.3-52.400112.1
101G44.8Very low43.1Very low68 Ų68119.9 Ų119.970%0.70182%0.82SS**  trans171138.7162.500000110.3
102I44.7Very low42.9Very low176 Ų176123.8 Ų123.890%0.90383%0.827SS**  cis-148.5158.3-6.31.6173.4000108.4
103V42.2Very low42.5Very low147 Ų147123.9 Ų123.989%0.89183%0.829SS**  trans-82.1134.3176176.50000110.6
104G50Low42.6Very low64 Ų64123.3 Ų123.366%0.6683%0.83SS**  trans-112.8143.5166.700000111
105P43.8Very low42.9Very low127 Ų127120.5 Ų120.583%0.82583%0.829SS**  trans-91.8169-164.436.5-37.4000115.3
106P50.8Low42.7Very low131 Ų131120.4 Ų120.485%0.85183%0.827SS**  trans-100.2147.9-170.6418.1000115.6
107G40.1Very low43.1Very low71 Ų71120.9 Ų120.973%0.73283%0.827SS**  trans81.9160.2153.200000118.4
108E34Very low42.8Very low190 Ų190122.1 Ų122.189%0.88882%0.822SS**  cis-140.6-127.1-23-78-158.5126.400110.5
109P49.2Very low42.6Very low117 Ų117121.6 Ų121.676%0.7682%0.817SS**  -125.7162.8-124.937.9-18.5000117.6
110G39Very low42.5Very low84 Ų84123.5 Ų123.587%0.86681%0.808SS**  trans99.5147.5169.500000114.5
111G33.6Very low42.5Very low83 Ų83122.2 Ų122.286%0.85680%0.801SS**  cis-163.3-160.64.900000114.1
112E41.1Very low42.1Very low207 Ų207122.1 Ų122.197%0.96780%0.8SS**  trans-88.8155.4-166.8-179.5176.7-16500114.5
113G38Very low41.6Very low74 Ų74122.6 Ų122.676%0.76380%0.799SS**  trans149.1117.516200000115.4
114S46.1Very low41.5Very low116 Ų116122.5 Ų122.581%0.81180%0.799SS**  trans-113.1146.2177.952.80000113.1
115P48Very low41.1Very low133 Ų133122.2 Ų122.286%0.86480%0.796SS**  trans-77145.3168.5-15.531.3000112.7
116G40.3Very low40.9Very low70 Ų70124 Ų12472%0.72280%0.799SS**  trans-115.5-128.7172.900000113.5
117P50.4Low40.6Very low131 Ų131125.6 Ų125.685%0.85179%0.792SS**  -132.4167.1-123.539.9-23.8000117.3
118Q39.1Very low40.5Very low161 Ų161125 Ų12575%0.75279%0.786SS**  trans-157.3154160.5-122167.1-27.600106.9Y120Q118-Y120 HydrophobicContact CG-CE2 3.98Å; Q118-Y120 PolarHBondContact NE2-OH 3.1Å
119G38Very low40.7Very low63 Ų63121.7 Ų121.765%0.64978%0.775SS**  cis136.6136.214.600000106.1
120Y38.8Very low40.3Very low175 Ų175122 Ų12269%0.68677%0.774SS**  cis-153.9147.827.6-78.8-87.4000109.5Q118Q118-Y120 HydrophobicContact CG-CE2 3.98Å; Q118-Y120 PolarHBondContact NE2-OH 3.1Å
121Q40.3Very low40.1Very low178 Ų178121 Ų12183%0.83276%0.764SS**  55.3131.495.2-158.1-175.8-18.500115.8
122G36.9Very low40Very low66 Ų66125.4 Ų125.468%0.6876%0.76SS**  cis160.1162.2-11.800000115.4
123Q35Very low40.1Very low187 Ų187122.8 Ų122.887%0.87475%0.752SS**  trans74.8160.5159.4-62.8-168.44.400122.5
124T39.5Very low39.8Very low144 Ų144121.8 Ų121.888%0.88374%0.742SS**  trans82.6127.6169.8-34.90000116.1
125G41.5Very low39.4Very low58 Ų58125.2 Ų125.260%0.59875%0.745SS**  cis168.2167.2-5.900000111.8
126D40.3Very low38.9Very low166 Ų166128.5 Ų128.589%0.88875%0.745SS**  trans62.2152.3169.4-63.6-14.5000117
127K42.6Very low38.7Very low163 Ų163128.4 Ų128.471%0.70975%0.745SS**  cis-162139.8-18.4173.2-176.9176.3-1550103.5D129K127-D129 VanDerWaalsContact CE-CG 3.41Å; K127-D129 WeakPolarHBondContact CE-OD1 3.44Å; K127-D129 WeakPolarHBondContact CE-OD2 3.08Å; K127-D129 IonicContact NZ-OD1 3.38Å; K127-D129 IonicContact NZ-OD2 2.74Å; K127-D129 PolarHBondContact NZ-OD2 3.1Å
128G39.4Very low38.1Very low59 Ų59128 Ų12861%0.60875%0.745SS**  cis97.2119.246.400000109.4
129D38.7Very low38Very low121 Ų121129.1 Ų129.165%0.64775%0.75SS**  164.5131.9126.7-75.1-14000111.6K127K127-D129 VanDerWaalsContact CE-CG 3.41Å; K127-D129 WeakPolarHBondContact CE-OD1 3.44Å; K127-D129 WeakPolarHBondContact CE-OD2 3.08Å; K127-D129 IonicContact NZ-OD1 3.38Å; K127-D129 IonicContact NZ-OD2 2.74Å; K127-D129 PolarHBondContact NZ-OD2 3.1Å
130T40.8Very low38.9Very low123 Ų123127.8 Ų127.876%0.75574%0.737SS**  trans24.8146.6154.556.50000123F132T130-F132 HydrophobicContact CG2-CD2 4.33Å; T130-F132 HydrophobicContact CG2-CE2 3.84Å
131G33.5Very low39.3Very low62 Ų62123.7 Ų123.764%0.63973%0.731SS**  cis125.9162.73.800000113.6
132F31.4Very low39.3Very low176 Ų176120.5 Ų120.577%0.77272%0.718SS**  trans71.6142.4170.2-51.8-73.7000115.8T130T130-F132 HydrophobicContact CG2-CD2 4.33Å; T130-F132 HydrophobicContact CG2-CE2 3.84Å
133D42.6Very low39.6Very low153 Ų153119.7 Ų119.782%0.81871%0.709SS**  cis-146.7171.65.7-96.5-39.5000111.1
134G32.2Very low39.7Very low53 Ų53116.9 Ų116.955%0.54671%0.708SS.*  cis158.828.8-3.300000119.6
135H38.6Very low40.1Very low188 Ų188117.9 Ų117.987%0.8770%0.702SS**  trans-135.1124.3174.9-58.3-40.3000111.2
136K37.6Very low40.3Very low201 Ų201117.5 Ų117.587%0.87470%0.698SS**  cis73.1120.345.2-160.5179.8-173.5-179.30110.9
137G35.1Very low40.3Very low69 Ų69115.9 Ų115.971%0.71170%0.697SS**  cis112.3139.225.600000108.7
138S37.5Very low40.5Very low122 Ų122115.2 Ų115.285%0.85370%0.696SS**  cis-174.7151.58.551.80000110.6
139Q38.6Very low41Very low185 Ų185115 Ų11586%0.86469%0.693SS**  trans-155.4144.1163.8-156.7170.4-20.400113.4
140G56.2Low41.2Very low35 Ų35115.3 Ų115.336%0.36170%0.702SS.*  trans-92.4-153.1167.500000112.4R752G140-R752 WeakPolarHBondContact CA-O 3.47Å
141P47.1Very low41.6Very low89 Ų89114.2 Ų114.258%0.57870%0.696SS**  cis-142.5-126.7343.1-21.2000111.9R752 A754P141-R752 WeakPolarHBondContact O-CD 3Å; P141-R752 WeakPolarHBondContact O-CG 3.25Å; P141-A754 WeakPolarHBondContact CD-O 3.22Å; P141-A754 VanDerWaalsContact O-O 3.07Å
142M39.8Very low42.5Very low110 Ų110113.8 Ų113.854%0.54269%0.691SS.*  trans106126.2163.7-153.2167.284.200116.7R752 P755M142-R752 VanDerWaalsContact O-CD 3.23Å; M142-R752 WeakPolarHBondContact O-CD 3.2Å; M142-R752 PolarHBondContact O-NE 3.1Å; M142-R752 PolarHBondContact O-NH1 3.37Å; M142-P755 HydrophobicContact CE-CG 3.59Å; M142-P755 VanDerWaalsContact SD-CD 3.51Å; M142-P755 HydrophobicContact SD-CG 4.02Å
143G44.3Very low43.2Very low49 Ų49111.6 Ų111.651%0.50569%0.694SS.*  trans-77.1-176.3-171.600000114.9Q145G143-Q145 PolarHBondContact O-N 3.3Å
144P37.2Very low43.4Very low129 Ų129110.2 Ų110.284%0.83869%0.691SS**PPolyproline II helixtrans-63.6123178.127.7-33.6000110.2G146P144-G146 PolarHBondContact O-N 3.06Å
145Q46.2Very low44.3Very low165 Ų165110.1 Ų110.177%0.77169%0.69SS**PPolyproline II helixtrans-61.4133.1166.7-174.9171-13.900108.2G143G143-Q145 PolarHBondContact O-N 3.3Å
146G46Very low44.5Very low50 Ų50107 Ų10752%0.51569%0.686SS.*PPolyproline II helixtrans-58.8157.7175.800000111.3P144 Q148P144-G146 PolarHBondContact O-N 3.06Å; G146-Q148 PolarHBondContact O-N 3.28Å; G146-Q148 VanDerWaalsContact O-N 3.09Å
147P41.2Very low45Very low132 Ų132103.2 Ų103.286%0.85768%0.682SS**PPolyproline II helixtrans-53.2122.7178.423.9-33.7000109.2G149P147-G149 PolarHBondContact O-N 2.94Å; P147-G149 VanDerWaalsContact O-N 3.15Å
148Q46.8Very low45.6Very low149 Ų149102.8 Ų102.870%0.69668%0.679SS**PPolyproline II helixtrans-56.1121.6178.1179.2172.4-16.300108.1G146 T151G146-Q148 PolarHBondContact O-N 3.28Å; G146-Q148 VanDerWaalsContact O-N 3.09Å; Q148-T151 PolarHBondContact NE2-OG1 3.43Å
149G50.2Low45.7Very low53 Ų53103 Ų10355%0.54668%0.677SS.*PPolyproline II helixtrans-52.4140.7174.500000109.2P147 T151P147-G149 PolarHBondContact O-N 2.94Å; P147-G149 VanDerWaalsContact O-N 3.15Å; G149-T151 PolarHBondContact O-N 2.99Å
150P43.3Very low45.8Very low129 Ų129102.7 Ų102.784%0.83868%0.678SS**PPolyproline II helixtrans-52.6119-16821.3-33.5000109.6G152P150-G152 PolarHBondContact O-N 3.19Å
151T48.3Very low45.4Very low100 Ų100103.5 Ų103.561%0.61369%0.686SS**PPolyproline II helixtrans-51.5117.5178.9-55.80000107.7Q148 G149Q148-T151 PolarHBondContact NE2-OG1 3.43Å; G149-T151 PolarHBondContact O-N 2.99Å
152G52.2Low45Very low52 Ų52105 Ų10554%0.53670%0.695SS.*PPolyproline II helixtrans-51.2142.3177.800000109.4P150 V154P150-G152 PolarHBondContact O-N 3.19Å; G152-V154 PolarHBondContact O-N 3.26Å
153P46.3Very low45.2Very low130 Ų130105.4 Ų105.484%0.84471%0.706SS**PPolyproline II helixtrans-50.2122-170.921-33.4000109.2G155P153-G155 PolarHBondContact O-N 2.94Å
154V46.2Very low45.2Very low125 Ų125106 Ų10676%0.75871%0.713SS**  trans-53.8114.5-177.5175.50000106.6G152G152-V154 PolarHBondContact O-N 3.26Å
155G51.6Low45.3Very low51 Ų51106 Ų10653%0.52671%0.713SS.*PPolyproline II helixtrans-52.2135.1179.700000108.4P153P153-G155 PolarHBondContact O-N 2.94Å
156P43.5Very low45.4Very low121 Ų121103.8 Ų103.879%0.78672%0.716SS**PPolyproline II helixtrans-50.8130.4-175.921.9-33.5000108.2G158P156-G158 PolarHBondContact O-N 3.02Å
157P46.6Very low45.4Very low122 Ų122104.3 Ų104.379%0.79272%0.721SS**PPolyproline II helixtrans-47.1117.1-171.7-31.535.5000110.2
158G48.6Very low45.3Very low61 Ų61104.2 Ų104.263%0.62972%0.721SS**PPolyproline II helixtrans-51131.3-176.400000108.4P156 M160P156-G158 PolarHBondContact O-N 3.02Å; G158-M160 PolarHBondContact O-N 3.05Å
159P39.1Very low45Very low127 Ų127107.8 Ų107.883%0.82573%0.728SS**PPolyproline II helixtrans-51.6119.2-169.221-33.3000108.4G161P159-G161 PolarHBondContact O-N 3.44Å
160M41.6Very low44.8Very low177 Ų177108.2 Ų108.287%0.87273%0.732SS**  trans-47.8112.4-165178.9173.966.700109.1G158G158-M160 PolarHBondContact O-N 3.05Å
161G47.9Very low44.5Very low52 Ų52111.2 Ų111.254%0.53674%0.735SS.*PPolyproline II helixtrans-53.1134.3-171.700000109.4P159P159-G161 PolarHBondContact O-N 3.44Å
162P38.6Very low44.3Very low120 Ų120111.4 Ų111.478%0.77974%0.74SS**PPolyproline II helixtrans-53.5129.9179.623.1-33.1000108G164P162-G164 PolarHBondContact O-N 3.02Å; P162-G164 VanDerWaalsContact O-N 3.16Å
163P44.5Very low44.1Very low119 Ų119111.8 Ų111.877%0.77374%0.744SS**PPolyproline II helixtrans-49.1127-179.2-30.135.9000110.1
164G44.1Very low43.8Very low62 Ų62111.7 Ų111.764%0.63974%0.744SS**PPolyproline II helixtrans-52.9138.2-175.800000110.3P162 S166P162-G164 PolarHBondContact O-N 3.02Å; P162-G164 VanDerWaalsContact O-N 3.16Å; G164-S166 PolarHBondContact O-N 3.16Å; G164-S166 VanDerWaalsContact O-N 3.14Å
165P38.5Very low43.6Very low128 Ų128112.6 Ų112.683%0.83175%0.749SS**PPolyproline II helixtrans-57.5124.2-173.123.6-33.7000109.9G167P165-G167 PolarHBondContact O-N 3.21Å
166S48.3Very low43.3Very low120 Ų120113.3 Ų113.384%0.83976%0.757SS**PPolyproline II helixtrans-51125173.5-60.70000109.2G164G164-S166 PolarHBondContact O-N 3.16Å; G164-S166 VanDerWaalsContact O-N 3.14Å
167G45.2Very low43.1Very low61 Ų61119.3 Ų119.363%0.62976%0.764SS**PPolyproline II helixtrans-54.5152-179.500000111.7P165 R169P165-G167 PolarHBondContact O-N 3.21Å; G167-R169 PolarHBondContact O-N 3.3Å
168P39.2Very low42.6Very low130 Ų130118.3 Ų118.384%0.84477%0.766SS**PPolyproline II helixtrans-54.1132.7-176.923.4-33.9000110.2G170P168-G170 PolarHBondContact O-N 2.84Å
169R42.3Very low42.5Very low224 Ų224119 Ų11985%0.84577%0.774SS**  trans-57.4109.2175.5176.6178.4177.2166.60.1108.2G167G167-R169 PolarHBondContact O-N 3.3Å
170G44.9Very low42.3Very low62 Ų62119.8 Ų119.864%0.63978%0.776SS**  trans-52.9143.1175.100000110.7P168P168-G170 PolarHBondContact O-N 2.84Å
171E37.4Very low42.2Very low192 Ų192119.9 Ų119.990%0.89778%0.776SS**  trans-56.2143.3-175.2-63.2-174.1125.900111.5G173E171-G173 PolarHBondContact O-N 3.07Å
172S44.1Very low42.5Very low103 Ų103120.1 Ų120.172%0.7278%0.778SS**  trans-63.8101.4177.6-59.10000109.5
173G48.6Very low42.6Very low61 Ų61120.7 Ų120.763%0.62978%0.782SS**  trans-53.9146.5176.600000112E171E171-G173 PolarHBondContact O-N 3.07Å
174P40.2Very low42.6Very low128 Ų128123.9 Ų123.983%0.83179%0.786SS**  trans-61142.8-171.825.3-35.1000112.2G176P174-G176 PolarHBondContact O-N 3.41Å; P174-G176 VanDerWaalsContact O-N 3.07Å
175T40.5Very low43Very low143 Ų143123.7 Ų123.788%0.87778%0.784SS**  trans-48.9113.2-176.4-52.40000112.1R177T175-R177 PolarHBondContact O-N 3.06Å
176G45.8Very low43.2Very low67 Ų67123.9 Ų123.969%0.69179%0.786SS**PPolyproline II helixtrans-59.1135.4178.200000111.9P174P174-G176 PolarHBondContact O-N 3.41Å; P174-G176 VanDerWaalsContact O-N 3.07Å
177R38.8Very low43Very low247 Ų247124 Ų12493%0.93278%0.781SS**PPolyproline II helixtrans-61.3146.4176-73.8-179.1170.4-179.5-3.4110.8T175 G179T175-R177 PolarHBondContact O-N 3.06Å; R177-G179 PolarHBondContact O-N 3.27Å
178A36.8Very low43.1Very low101 Ų101124.4 Ų124.484%0.83579%0.786SS**PPolyproline II helixtrans-56132.2-176.100000113
179G45.6Very low43.1Very low76 Ų76125.4 Ų125.478%0.78478%0.784SS**PPolyproline II helixtrans-70.9144.9171.800000111.8R177R177-G179 PolarHBondContact O-N 3.27Å
180V36.4Very low43.2Very low143 Ų143120.9 Ų120.987%0.86778%0.784SS**PPolyproline II helixtrans-73.2140.9-172.2-169.70000111.6G182V180-G182 PolarHBondContact O-N 3.34Å
181M39.2Very low43.1Very low179 Ų179121.5 Ų121.588%0.88279%0.79SS**PPolyproline II helixtrans-56.8123.8176.3179171.563.900112.1
182G53.5Low43.2Very low56 Ų56123.9 Ų123.958%0.57779%0.791SS**PPolyproline II helixtrans-72.2150.8172.800000112.5V180V180-G182 PolarHBondContact O-N 3.34Å
183P41Very low43Very low132 Ų132125.3 Ų125.386%0.85780%0.798SS**PPolyproline II helixtrans-69.1141.1-175.128.3-35.1000112.6G185P183-G185 PolarHBondContact O-N 3.09Å
184Q43.8Very low42.6Very low186 Ų186126.2 Ų126.287%0.86981%0.806SS**PPolyproline II helixtrans-65.3129.5178.1-169.917517.800111.3
185G53.8Low42.4Very low58 Ų58125.2 Ų125.260%0.59881%0.809SS**PPolyproline II helixtrans-65.1146.2174.700000112.2P183P183-G185 PolarHBondContact O-N 3.09Å
186P41.6Very low42.3Very low132 Ų132124.4 Ų124.486%0.85781%0.809SS**PPolyproline II helixtrans-69.3141.8-171.427.7-35.3000113.1G188P186-G188 PolarHBondContact O-N 3.28Å
187V44.2Very low42.6Very low123 Ų123124.4 Ų124.475%0.74581%0.809SS**PPolyproline II helixtrans-67.6125.8175.8176.60000110.7
188G48.5Very low42.7Very low70 Ų70118.7 Ų118.772%0.72280%0.804SS**PPolyproline II helixtrans-81.9126.2169.300000111.4P186P186-G188 PolarHBondContact O-N 3.28Å
189N38Very low42.8Very low150 Ų150118.6 Ų118.680%0.80280%0.803SS**PPolyproline II helixtrans-70145.7-171.2-66.5-50.7000114G191N189-G191 PolarHBondContact O-N 3.13Å
190P44.1Very low42.7Very low130 Ų130118.6 Ų118.684%0.84480%0.804SS**PPolyproline II helixtrans-75.5116.3179-15.631000114.7
191G43.6Very low42.8Very low75 Ų75120.2 Ų120.277%0.77380%0.802SS**  trans73163.5136.500000121.5N189N189-G191 PolarHBondContact O-N 3.13Å
192R38.5Very low42.7Very low242 Ų242120.3 Ų120.391%0.91380%0.797SS**  trans-143.8138.3146.4-88.2-161.6171.6-144.7-3.1109.5
193P40Very low41.9Very low133 Ų133120.1 Ų120.186%0.86480%0.795SS**  trans-61.6156.2169.7-23.635.2000112.9
194G41.4Very low41.7Very low79 Ų79121.7 Ų121.781%0.81480%0.797SS**  trans-78.3174.1-173.900000115.6
195A35.6Very low41.3Very low108 Ų108124.2 Ų124.289%0.89380%0.798SS**PPolyproline II helixtrans-94.3130.3173.700000111.2
196S38.6Very low40.4Very low125 Ų125124.7 Ų124.787%0.87480%0.803SS**PPolyproline II helixtrans-75.9145.3173.9-48.60000111.5
197G51.1Low40.2Very low67 Ų67126.3 Ų126.369%0.69180%0.804SS**PPolyproline II helixtrans-81.4168.9-179.300000114.8A199G197-A199 PolarHBondContact O-N 3.03Å
198P42.2Very low40Very low128 Ų128126.6 Ų126.683%0.83181%0.806SS**PPolyproline II helixtrans-67.1121.8167.829.3-32.7000109.4
199A37.9Very low39.7Very low98 Ų98126.9 Ų126.981%0.8181%0.809SS**  68.780.474.400000112.4G197G197-A199 PolarHBondContact O-N 3.03Å
200G44.8Very low39.4Very low77 Ų77124.6 Ų124.679%0.79481%0.811SS**  trans-84.3176.6170.500000113.6
201Q37.1Very low38.9Very low177 Ų177128.9 Ų128.983%0.82782%0.816SS**  trans-154154.4172.3-88.1-169.388.400107.2
202K37.3Very low38.6Very low181 Ų181128.7 Ų128.779%0.78781%0.814SS**  cis-175.2150.8-12.1-178.5176.9-177.9-1770104.4
203G36.5Very low38.9Very low52 Ų52126.5 Ų126.554%0.53681%0.814SS.*  cis139.556.35.600000111.1
204D37.4Very low38.7Very low165 Ų165129.5 Ų129.588%0.88281%0.814SS**  trans-109.7106.1163.3-72.2-51.3000106.8
205R36.1Very low38.9Very low238 Ų238128.9 Ų128.990%0.89881%0.807SS**  cis82.510138.9-166.2-173.1175.2154.22.9113.1
206G34Very low38.6Very low69 Ų69133.6 Ų133.671%0.71181%0.811SS**  trans92.1162.7167.800000113.7
207L37.2Very low38.6Very low165 Ų165136.5 Ų136.586%0.86481%0.808SS**  cis-132.5162.25-91.9172.4000113.3
208T40.7Very low38.1Very low130 Ų130136 Ų13680%0.79880%0.803SS**  trans-20.2138.8166.347.40000118.5
209G40.6Very low37.9Very low75 Ų75136 Ų13677%0.77380%0.803SS**  trans111.1116.8133.600000116.3
210A32.3Very low37.9Very low103 Ų103137.3 Ų137.385%0.85180%0.801SS**  trans-68.416014800000109.9
211K33.7Very low37.8Very low219 Ų219137 Ų13795%0.95280%0.798SS**  trans115.3132.2170.5-172.9178.9-174.3173.60113.4
212G38.1Very low38Very low71 Ų71134.6 Ų134.673%0.73280%0.795SS**  trans169.324.1171.400000118.7K214G212-K214 PolarHBondContact O-N 3.48Å
213E43.4Very low38.4Very low197 Ų197132.5 Ų132.592%0.92180%0.8SS**  trans-56.8131.4173.9-63.5172.9114.600111.8
214K35.8Very low38.5Very low196 Ų196133.5 Ų133.585%0.85281%0.811SS**  trans-169.6117.6163.8-113.7167.1-178.4172.60108.8G212G212-K214 PolarHBondContact O-N 3.48Å
215G45.9Very low38.3Very low66 Ų66134.8 Ų134.868%0.6881%0.811SS**  cis116.4155.63.400000111.7
216E30.2Very low38.5Very low206 Ų206129.4 Ų129.496%0.96381%0.807SS**SBendtrans-61.9140169.1-69.3-163.4126.200110.3
217K38.3Very low38.4Very low187 Ų187129.2 Ų129.281%0.81381%0.805SS**  trans-125.8101.4-160.6178.7-159.4164.2-170.60112.2
218G40.8Very low38.3Very low57 Ų57129.5 Ų129.559%0.58881%0.807SS**  trans72.7-174.4158.100000115.7
219P37Very low37.9Very low128 Ų128127.7 Ų127.783%0.83180%0.799SS**  cis-71.4151.40.931.5-35.9000112.2
220T38.7Very low37.7Very low125 Ų125132.7 Ų132.777%0.76780%0.8SS**  cis79.29829.8-52.90000113.5
221G43.4Very low38Very low71 Ų71135.4 Ų135.473%0.73280%0.795SS**  trans-153.749.3-177.900000113.8
222T41.4Very low38Very low125 Ų125137 Ų13777%0.76780%0.795SS**  trans29.4107.315854.80000119.8G224T222-G224 PolarHBondContact O-N 2.94Å
223P44.6Very low38Very low137 Ų137136.7 Ų136.789%0.8979%0.792SS**  trans-69119.1156.7-14.930.6000110.7
224G40Very low37.7Very low74 Ų74135.1 Ų135.176%0.76379%0.788SS**  trans-109142.2170.900000111.2T222T222-G224 PolarHBondContact O-N 2.94Å
225H33.1Very low37.6Very low191 Ų191135 Ų13588%0.88479%0.791SS**  trans-75.5163.8-172.4-84.3-79.3000114.1
226P39.9Very low37.1Very low125 Ų125135.2 Ų135.281%0.81279%0.793SS**  trans-96.2162-146.236.7-38.2000116.5
227G31.9Very low37.3Very low66 Ų66133.6 Ų133.668%0.6879%0.785SS**  trans-170.4141.4162.400000112.3
228L35.7Very low37.1Very low170 Ų170131.4 Ų131.489%0.8978%0.781SS**  trans65.1119.5177.3-51.4166.5000114.7
229S32.2Very low36.8Very low92 Ų92131.7 Ų131.764%0.64378%0.783SS**  cis86.812722930000116.1
230K35.2Very low36.9Very low180 Ų180134 Ų13478%0.78378%0.783SS**  trans77.7141.6-176.3-56.5-178.2179.5-170.30114.3
231E38.1Very low36.7Very low161 Ų161135.8 Ų135.875%0.75279%0.788SS**  cis-144.5138.9-9.7-97138.1176.300106.1
232R34.6Very low36.3Very low251 Ų251136 Ų13695%0.94779%0.791SS**  83.611756.4177.7172-91.2-130.9-0.7115.5
233G38.8Very low36Very low66 Ų66141.9 Ų141.968%0.6880%0.799SS**  trans127.5137.1162.100000112.7
234I37.2Very low36.3Very low163 Ų163141.3 Ų141.384%0.83680%0.795SS**  cis-151.6129.9-6.744.2175.1000106.2
235Q32.4Very low36.2Very low195 Ų195141.4 Ų141.491%0.91180%0.796SS**  62.2123.780.8-173170.9-1300117.3
236G35Very low36.4Very low69 Ų69139.5 Ų139.571%0.71180%0.797SS**  trans95.7149.9162.100000116
237E35.4Very low36.7Very low173 Ų173143.9 Ų143.981%0.80880%0.798SS**  cis-153.3142.6-9.5-91.9-167.3143.400108.7
238I34.6Very low37.2Very low141 Ų141144.3 Ų144.372%0.72380%0.802SS**  57.6126.599.9-50.2175.2000116.7
239G34.6Very low37.1Very low62 Ų62143.3 Ų143.364%0.63979%0.792SS**  trans86162.1155.400000117.3
240H38.4Very low38.3Very low176 Ų176144.3 Ų144.382%0.81580%0.797SS**  cis-152.1170.21.2-75.2-75.5000112.1
241D35Very low38.4Very low163 Ų163139.2 Ų139.287%0.87280%0.795SS**  trans-64.6158.6174-47.6-96.2000114.5
242G34.9Very low38.3Very low77 Ų77141.2 Ų141.279%0.79480%0.804SS**  trans-139.5-16.3-17100000120.5
243R34.1Very low38.9Very low248 Ų248139.4 Ų139.494%0.93680%0.798SS**  trans62.8164.7179.1-76.2-175.8173.5-172.3-1.4118.2
244P50.7Low39Very low124 Ų124139.3 Ų139.381%0.80580%0.796SS**  trans-115.1162.3-171.241.3-31.9000115.8
245G38.4Very low39.3Very low76 Ų76138.1 Ų138.178%0.78480%0.799SS**  trans98.7125.3139.400000118.6
246V37.6Very low39.8Very low152 Ų152136.4 Ų136.492%0.92179%0.791SS**  trans-137.8131.3153.2-168.50000108.5
247R46.6Very low40Very low217 Ų217136.8 Ų136.882%0.81980%0.795SS**  trans-99144.2169166.6-166.3-87.2-158.80.4108.8E249R247-E249 IonicContact NH1-OE1 3.62Å
248G42.2Very low40.1Very low74 Ų74133.8 Ų133.876%0.76379%0.793SS**  trans177.5135.5162.100000112.7
249E33.8Very low40.4Very low149 Ų149135.6 Ų135.670%0.69680%0.801SS**  cis-160160.4-39.6-106.2-83.8122.800105.2R247R247-E249 IonicContact NH1-OE1 3.62Å
250P55.6Low40.5Very low114 Ų114136.3 Ų136.374%0.7481%0.808SS**  trans-95.5155.5-160.435.7-33.9000116.1
251G37.9Very low40.6Very low72 Ų72135 Ų13574%0.74281%0.812SS**  trans-169.8150.9165.200000111.2
252Q37.3Very low40.8Very low203 Ų203131.8 Ų131.895%0.94981%0.808SS**  cis-135164.93.1-65.3-179.5-700111.3
253R45.6Very low41Very low214 Ų214131.5 Ų131.581%0.80881%0.805SS**  trans-103.7140.8176.6168.5-163.9-96.6-108.73.9110.6E256R253-E256 IonicContact NH1-OE2 2.63Å; R253-E256 PolarHBondContact NH1-OE2 3.08Å
254G42.1Very low41.2Very low63 Ų63131.7 Ų131.765%0.64981%0.806SS**  trans148.7160.9144.400000116.1
255P42Very low41.1Very low138 Ų138131.9 Ų131.990%0.89681%0.807SS**  cis-106.7-178.3-8.239.4-29.9000113.2
256E44.5Very low41.1Very low160 Ų160131.9 Ų131.975%0.74881%0.807SS**  trans-131.6146.3-179.4-177.6178.6169.700109.3R253R253-E256 IonicContact NH1-OE2 2.63Å; R253-E256 PolarHBondContact NH1-OE2 3.08Å
257G38.5Very low41.2Very low76 Ų76134.3 Ų134.378%0.78481%0.809SS**  trans98.7155.1-177.400000114.2
258S38Very low41Very low110 Ų110135.7 Ų135.777%0.76981%0.814SS**  cis-117.7150.128.150.30000117
259M40.2Very low40.9Very low180 Ų180135.5 Ų135.589%0.88781%0.811SS**  trans12.6123.9154.2-58.8178.6-67.900119.7
260G38Very low41.3Very low77 Ų77135.4 Ų135.479%0.79482%0.822SS**  trans-83.4177.1154.600000112.7
261V38.9Very low40.6Very low147 Ų147139.1 Ų139.189%0.89183%0.831SS**  trans-99.5121.7167.1179.20000108.6
262A40.6Very low40.6Very low97 Ų97139 Ų13980%0.80283%0.83SS**  trans-67.6141.7174.300000110.7
263G38.4Very low40.8Very low71 Ų71141.1 Ų141.173%0.73283%0.829SS**  trans-74.8-178.6-171.300000114.9P265G263-P265 WeakPolarHBondContact O-CD 3.39Å
264R38.7Very low40.6Very low251 Ų251136.4 Ų136.495%0.94783%0.829SS**PPolyproline II helixtrans-82.7122.3161-76.3-171.5172.2-160.1-2.2109.4
265P47.8Very low40.6Very low128 Ų128137 Ų13783%0.83184%0.836SS**PPolyproline II helixtrans-57.4143.7163.7-22.935000110.5G263G263-P265 WeakPolarHBondContact O-CD 3.39Å
266G39.8Very low40.5Very low76 Ų76139.2 Ų139.278%0.78484%0.839SS**PPolyproline II helixtrans-77.9162-173.300000114.4
267E38.6Very low40.5Very low204 Ų204139.6 Ų139.695%0.95384%0.841SS**PPolyproline II helixtrans-69153.9162.9-70.3-161.6134.300111.4
268R42.7Very low41.1Very low246 Ų246138.7 Ų138.793%0.92883%0.831SS**PPolyproline II helixtrans-83.7121.4-165.6-174.3178.1-65.7146.61110.7
269G39Very low41.5Very low69 Ų69140 Ų14071%0.71184%0.837SS**PPolyproline II helixtrans-70159.6-178.600000114.6
270T42.1Very low41.6Very low148 Ų148140.4 Ų140.491%0.90883%0.834SS**PPolyproline II helixtrans-89.5150.5162.447.70000110.7
271M41Very low41.8Very low191 Ų191140.1 Ų140.194%0.94183%0.831SS**PPolyproline II helixtrans-93.2116.1-167.7-173.5-179-67.600112.4
272G38Very low41.8Very low70 Ų70137.7 Ų137.772%0.72283%0.827SS**  trans44120.8145.900000121.3
273R42.1Very low42Very low247 Ų247142 Ų14293%0.93283%0.83SS**  -141.4102.5125.4-140.8177.1-172.2-161.90.1113.2
274S41.1Very low42.1Very low115 Ų115142 Ų14280%0.80483%0.831SS**  trans28.795.8153.1-46.90000119.1
275G43.1Very low42Very low76 Ų76139.2 Ų139.278%0.78483%0.828SS**PPolyproline II helixtrans-80.3141.8143.800000109.7Q277G275-Q277 PolarHBondContact O-N 3.26Å
276L40.4Very low42.1Very low184 Ų184139.4 Ų139.496%0.96383%0.829SS**PPolyproline II helixtrans-69.5128.9176.7-79.8170.1000110.6
277Q43.4Very low42.3Very low169 Ų169139.4 Ų139.479%0.7983%0.83SS**PPolyproline II helixtrans-80.8119.4-175.7-178.41749.600110.6G275G275-Q277 PolarHBondContact O-N 3.26Å
278G50.3Low42.2Very low57 Ų57135.7 Ų135.759%0.58883%0.826SS**PPolyproline II helixtrans-63.3143.4166.700000111K280G278-K280 PolarHBondContact O-N 3.2Å
279P48.1Very low42.3Very low137 Ų137131 Ų13189%0.8982%0.824SS**  trans-63.7111.7-174.224.6-33.6000111.6
280K40.9Very low42.5Very low188 Ų188130.7 Ų130.782%0.81782%0.821SS**PPolyproline II helixtrans-75.3126.6169.1-179.8-176.1176.1-173.70108.4G278G278-K280 PolarHBondContact O-N 3.2Å
281G42.2Very low42.3Very low72 Ų72131 Ų13174%0.74282%0.822SS**PPolyproline II helixtrans-65.3138.5-17400000114.7
282A39.8Very low42.2Very low96 Ų96131 Ų13179%0.79382%0.82SS**PPolyproline II helixtrans-79.5124.9150.100000107.1
283Q44Very low42.8Very low187 Ų187130.8 Ų130.887%0.87482%0.818SS**  66.2105.272.6-172.7173-20.600111.3
284G41.2Very low42.7Very low72 Ų72125.1 Ų125.174%0.74281%0.813SS**PPolyproline II helixtrans-90.2169.4-175.800000114.4
285E36.9Very low42.5Very low192 Ų192126.4 Ų126.490%0.89782%0.817SS**PPolyproline II helixtrans-81.4137.6-178.5-60.1-163.6129.300112.7
286P49.3Very low42.3Very low131 Ų131125.7 Ų125.785%0.85181%0.81SS**PPolyproline II helixtrans-66135167.7-2033.4000111.8
287G44.1Very low42.1Very low77 Ų77125.8 Ų125.879%0.79481%0.809SS**PPolyproline II helixtrans-83.3165.2-175.400000115.3
288S36.6Very low41.8Very low125 Ų125127 Ų12787%0.87482%0.815SS**PPolyproline II helixtrans-93118.1172.943.80000112.4
289V44.8Very low41.5Very low148 Ų148127.4 Ų127.490%0.89782%0.819SS**PPolyproline II helixtrans-85.2140.4156.7-176.10000106.4
290G42.9Very low40.8Very low62 Ų62129 Ų12964%0.63982%0.819SS**  cis138.5131.16.500000107.9
291V38Very low40.4Very low154 Ų154129.3 Ų129.393%0.93382%0.82SS**  trans-128.9143-173.4-166.70000110.6
292E39.7Very low40.2Very low191 Ų191129.2 Ų129.289%0.89382%0.82SS**  trans-81.9151.2-164.7-153.2166.3-176.500112.9
293G51Low39.9Very low67 Ų67134.6 Ų134.669%0.69183%0.828SS**  trans-101.5-167.7-179.600000113.4
294P38.2Very low39.7Very low127 Ų127135.8 Ų135.883%0.82583%0.831SS**  trans-127.5139.6153.136-25.3000114.5
295T36.7Very low39.8Very low142 Ų142135.5 Ų135.587%0.87183%0.828SS**  trans-29.1144.6152.9-44.40000114.1
296G39.7Very low39.7Very low62 Ų62135.9 Ų135.964%0.63983%0.83SS**  cis120.6139.28.800000111.8
297I37.3Very low39.6Very low185 Ų185137.3 Ų137.395%0.94983%0.829SS**  trans-139.8154.2171.554.7171.1000112.6
298Q36.8Very low39.5Very low195 Ų195136.7 Ų136.791%0.91182%0.823SS**  trans-112.1144-168.6-176.1178.73.300111.7
299G43.3Very low39.8Very low65 Ų65142 Ų14267%0.6782%0.824SS**  trans-97-176.8-173.800000117.1
300L32.5Very low39.9Very low171 Ų171141.2 Ų141.290%0.89582%0.822SS**  trans-152.9164.3178.1-67.5176.5000108.9
301K34.3Very low39.9Very low194 Ų194141.6 Ų141.684%0.84383%0.826SS**  cis-178131.1-30.5173.5-164.5168.2-163.40108.2
302G37.2Very low39.9Very low71 Ų71143.9 Ų143.973%0.73283%0.826SS**  trans84.9167.5166.200000115.4
303E34Very low40.3Very low209 Ų209145.9 Ų145.998%0.97783%0.826SS**  cis-135.4-171.43.8-73.4-152.612100113.5
304K40.1Very low39.9Very low211 Ų211145.9 Ų145.992%0.91783%0.825SS**  trans-123.3132.6-167.6168.4-168.4173.2-175.20112.1
305G43Very low39.8Very low67 Ų67149 Ų14969%0.69183%0.829SS**  trans-179.6156.6160.300000112.6
306Q34.9Very low40.4Very low200 Ų200148.3 Ų148.394%0.93583%0.825SS**  cis-152166.2-19.8-122.6-17450.800108.7G308Q306-G308 PolarHBondContact O-N 3.47Å
307L46.7Very low40.5Very low161 Ų161148.4 Ų148.484%0.84383%0.825SS**PPolyproline II helixtrans-80.2117.7-170.5177.965.8000113.1
308G43.1Very low40.7Very low64 Ų64146.4 Ų146.466%0.6682%0.824SS**PPolyproline II helixtrans-82.1141.9160.100000111.6Q306Q306-G308 PolarHBondContact O-N 3.47Å
309R40.9Very low41.2Very low235 Ų235148.5 Ų148.589%0.88782%0.824SS**PPolyproline II helixtrans-87.8147-174.8-69.8-179.9173.7-179.6-2.7113
310P48.1Very low41.2Very low133 Ų133148.6 Ų148.686%0.86483%0.825SS**PPolyproline II helixtrans-78.1154.5165.2-4.522.3000112.2
311G42.9Very low41.4Very low69 Ų69149.7 Ų149.771%0.71183%0.825SS**  trans-177.6152.516700000110.4
312E37Very low41.9Very low202 Ų202150.7 Ų150.794%0.94482%0.824SS**  cis-139.2176.5-13.9-74-158.8125.900109.7
313R48.7Very low42.3Very low234 Ų234150.3 Ų150.388%0.88382%0.82SS**  trans-105.5135.8-175.5175.3-166.1-70.9175.8-3.1111.8
314G42.2Very low42.7Very low66 Ų66146.5 Ų146.568%0.6881%0.813SS**  trans-157.8144.8152.800000110.3
315E36.5Very low43.2Very low194 Ų194143.3 Ų143.391%0.90780%0.804SS**  cis-140.4-179.2-13.9-73.2-160.9113.900109.2
316T48.8Very low43.3Very low127 Ų127143.6 Ų143.678%0.77981%0.808SS**  trans-119.6123.5-172.5-59.10000113.1
317G43Very low43.6Very low63 Ų63139.2 Ų139.265%0.64980%0.797SS**  trans-85.9158.1165.600000112.9
318P41.8Very low43.8Very low143 Ų143139.5 Ų139.593%0.92980%0.797SS**  trans-88.3172.1-148.633.3-37.7000117.8
319R46.5Very low43.8Very low240 Ų240140.1 Ų140.191%0.90680%0.804SS**  trans-110.4156.5-169.3119.1-166.3-178.9-160.6-0.7112.4
320G43.2Very low43.8Very low67 Ų67137 Ų13769%0.69180%0.803SS**  trans165.1140.2155.100000112.4
321E36Very low43.5Very low194 Ų194140.8 Ų140.891%0.90781%0.806SS**  cis-141.6-174.5-7.5-77.8-138.5111.500110.8
322R45.8Very low43.5Very low215 Ų215141 Ų14181%0.81181%0.808SS**  trans-122.6123.7-168-177.9-173.3-153.6-167.69.9113.4
323G45.8Very low43.6Very low63 Ų63136.5 Ų136.565%0.64981%0.805SS**PPolyproline II helixtrans-81.9147.7159.100000112.4
324P42.5Very low43.3Very low128 Ų128134.2 Ų134.283%0.83181%0.805SS**PPolyproline II helixtrans-86.8162.8-167.134.3-36.9000115.5
325I50.8Low43.3Very low144 Ų144134.5 Ų134.574%0.73881%0.808SS**PPolyproline II helixtrans-91.9140.6173.6-64.3168000110
326G45.3Very low43.3Very low74 Ų74133.8 Ų133.876%0.76381%0.805SS**  trans-131121.2163.800000110.9
327P41.1Very low43Very low108 Ų108136.7 Ų136.770%0.70181%0.814SS**  trans-101.3141.2-172.336-33000115.5
328I49.3Very low43.1Very low167 Ų167137.2 Ų137.286%0.85682%0.82SS**  trans50.7116.2147.5-55.6174.7000118.7
329G44.9Very low43.1Very low77 Ų77139.5 Ų139.579%0.79482%0.82SS**  trans-124.6143.4160.900000111.6
330I40.5Very low42.8Very low170 Ų170133.3 Ų133.387%0.87282%0.821SS**  trans-88.6164.3-16052.6171.6000117.2
331K40.7Very low42.8Very low212 Ų212133.4 Ų133.492%0.92282%0.822SS**  trans-63.5144.2-173.2168.4-170.5175.2-175.80117.5
332G43.3Very low43Very low73 Ų73130 Ų13075%0.75382%0.819SS**  trans153.3148.2152.300000112.3
333A39.2Very low43.4Very low108 Ų108125.7 Ų125.789%0.89382%0.819SS**  cis-156.4167.2-15.900000108.8
334Q41.9Very low43.4Very low185 Ų185126.1 Ų126.186%0.86482%0.824SS**  trans-65.7143.5-168.2176.8-179.7-1100116
335G42.9Very low43Very low73 Ų73125.5 Ų125.575%0.75382%0.822SS**  trans-169.3141.7166.300000110.7
336E36.7Very low43Very low179 Ų179124.4 Ų124.484%0.83682%0.824SS**  trans-106.3167.9-165.6-67.5-176.5108.100115.6
337L41.8Very low42.9Very low187 Ų187124 Ų12498%0.97982%0.82SS**  trans97.7122.5150.2-156.572.4000118.6
338G44.5Very low42.9Very low74 Ų74126.9 Ų126.976%0.76383%0.829SS**  trans156.5123.4169.700000112.1
339M42.5Very low42.6Very low192 Ų192126.5 Ų126.595%0.94683%0.829SS**  trans-112.8156.7177-85.8-174.367.100112.2
340A40.2Very low42.5Very low110 Ų110125.9 Ų125.991%0.90982%0.823SS**  trans72.8144-178.800000115.3
341G42.5Very low42.4Very low69 Ų69125.9 Ų125.971%0.71182%0.819SS**  cis-145.5167.8-0.400000111.9P343G341-P343 WeakPolarHBondContact O-CD 3.44Å
342S40.8Very low42.6Very low123 Ų123121 Ų12186%0.8681%0.809SS**PPolyproline II helixtrans-83.1121.1-167.153.40000114.9
343P54.8Low42.7Very low123 Ų123121 Ų12180%0.79981%0.809SS**PPolyproline II helixtrans-73.9159.7157.9-1129.7000111.2G341G341-P343 WeakPolarHBondContact O-CD 3.44Å
344G44.4Very low42.6Very low73 Ų73123.5 Ų123.575%0.75381%0.806SS**PPolyproline II helixtrans-69.3159.1-17600000114.8P346G344-P346 WeakPolarHBondContact O-CD 3.4Å
345S34.1Very low42.5Very low115 Ų115119.5 Ų119.580%0.80480%0.799SS**PPolyproline II helixtrans-65.1125-178.951.90000113
346P51.5Low42.5Very low120 Ų120119.2 Ų119.278%0.77980%0.796SS**PPolyproline II helixtrans-55143.8146.4-16.431.2000108.5G344G344-P346 WeakPolarHBondContact O-CD 3.4Å
347G44.4Very low42.6Very low66 Ų66115.8 Ų115.868%0.6879%0.792SS**PPolyproline II helixtrans-60.9145.5177.500000111.1D349G347-D349 VanDerWaalsContact C-N 3.33Å; G347-D349 PolarHBondContact O-N 3.16Å; G347-D349 VanDerWaalsContact O-N 3.16Å
348L41Very low42.7Very low169 Ų169112.8 Ų112.889%0.88578%0.784SS**  trans-66.9106.7145.2-70.4177.3000105.4G350L348-G350 PolarHBondContact O-N 3.2Å; L348-G350 VanDerWaalsContact O-N 3.17Å
349D42.8Very low42.7Very low158 Ų158112.6 Ų112.685%0.84578%0.782SS**  trans-47124.9154.1-75.2-40.8000106.4G347 Q351G347-D349 VanDerWaalsContact C-N 3.33Å; G347-D349 PolarHBondContact O-N 3.16Å; G347-D349 VanDerWaalsContact O-N 3.16Å; D349-Q351 PolarHBondContact O-N 2.78Å
350G42.9Very low42.5Very low65 Ų65112.1 Ų112.167%0.6778%0.777SS**  trans-53.4132.6-165.300000110.4L348 P352L348-G350 PolarHBondContact O-N 3.2Å; L348-G350 VanDerWaalsContact O-N 3.17Å; G350-P352 VanDerWaalsContact O-CD 3.29Å; G350-P352 WeakPolarHBondContact O-CD 3.47Å
351Q37.2Very low42.7Very low170 Ų170112.9 Ų112.979%0.79477%0.773SS**  trans-46120.6167.7-77.5-174.6-27.300107.2D349 G353D349-Q351 PolarHBondContact O-N 2.78Å; Q351-G353 WeakPolarHBondContact O-CA 3.34Å; Q351-G353 PolarHBondContact O-N 3.14Å
352P46.1Very low42.9Very low109 Ų109113 Ų11371%0.70877%0.773SS**  trans-52.9112.3176.5-27.535.7000107.4G350 L354G350-P352 VanDerWaalsContact O-CD 3.29Å; G350-P352 WeakPolarHBondContact O-CD 3.47Å; P352-L354 PolarHBondContact O-N 3.4Å
353G43.9Very low43Very low73 Ų73111.2 Ų111.275%0.75377%0.767SS**THydrogen-bonded Turntrans-53.5113.8-158.200000110Q351 S355Q351-G353 WeakPolarHBondContact O-CA 3.34Å; Q351-G353 PolarHBondContact O-N 3.14Å; G353-S355 PolarHBondContact O-N 3.02Å
354L37.5Very low42.7Very low160 Ų160111.4 Ų111.484%0.83877%0.768SS**THydrogen-bonded Turntrans-16.195-158.7-83170.6000112.1P352 G356P352-L354 PolarHBondContact O-N 3.4Å; L354-G356 WeakPolarHBondContact O-CA 3.4Å; L354-G356 PolarHBondContact O-N 3.2Å
355S40.3Very low42.8Very low102 Ų102111.2 Ų111.271%0.71377%0.766SS**  trans-43.7109.4-175.3-65.40000109G353 S357G353-S355 PolarHBondContact O-N 3.02Å; S355-S357 PolarHBondContact O-N 3.12Å
356G43.3Very low43.1Very low67 Ų67114.4 Ų114.469%0.69177%0.768SS**  trans-48.6125.2-16100000109.9L354L354-G356 WeakPolarHBondContact O-CA 3.4Å; L354-G356 PolarHBondContact O-N 3.2Å
357S37.8Very low42.7Very low107 Ų107117.6 Ų117.675%0.74877%0.772SS**  trans-40.6117.2-176.148.80000108.4S355 G359S355-S357 PolarHBondContact O-N 3.12Å; S357-G359 PolarHBondContact O-N 3.3Å
358P44.1Very low42.9Very low124 Ų124117.9 Ų117.981%0.80578%0.776SS**  trans-47.8113.9-167.8-31.635.2000109.3E360P358-E360 PolarHBondContact O-N 2.86Å
359G44.5Very low42.9Very low70 Ų70117.7 Ų117.772%0.72278%0.775SS**  trans-52.3128.7-170.500000108.4S357S357-G359 PolarHBondContact O-N 3.3Å
360E38.1Very low43.2Very low181 Ų181115.2 Ų115.285%0.84677%0.77SS**  trans-47.6129.1-175.6-70.8-165.7121.400108.6P358 G362P358-E360 PolarHBondContact O-N 2.86Å; E360-G362 PolarHBondContact O-N 2.77Å
361P44.8Very low43.7Very low127 Ų127114.9 Ų114.983%0.82577%0.766SS**  trans-50111.4-173.5-29.835.4000109.6A363P361-A363 PolarHBondContact O-N 2.83Å; P361-A363 VanDerWaalsContact O-N 3.09Å
362G46.8Very low44.4Very low70 Ų70112.6 Ų112.672%0.72277%0.766SS**  trans-50.6122.2-167.700000109.3E360E360-G362 PolarHBondContact O-N 2.77Å
363A43.1Very low45.1Very low87 Ų87113.1 Ų113.172%0.71977%0.769SS**  trans-46.9129.7-172.500000109.2P361 G365P361-A363 PolarHBondContact O-N 2.83Å; P361-A363 VanDerWaalsContact O-N 3.09Å; A363-G365 WeakPolarHBondContact O-CA 3.48Å; A363-G365 PolarHBondContact O-N 3.44Å
364P48Very low45.5Very low127 Ų127112.4 Ų112.483%0.82576%0.762SS**  trans-49.5113.1-174.6-28.834.8000109.4E366P364-E366 PolarHBondContact O-N 3.43Å
365G47.8Very low46.1Very low69 Ų69110.5 Ų110.571%0.71176%0.76SS**  trans-54.3117.9-162.200000110.2A363 Q367A363-G365 WeakPolarHBondContact O-CA 3.48Å; A363-G365 PolarHBondContact O-N 3.44Å; G365-Q367 PolarHBondContact O-N 3.13Å
366E38.5Very low46.9Very low181 Ų181111.8 Ų111.885%0.84677%0.766SS**  trans-53.4121.5-177.6-71.5-159.7134.700108.2P364 G368P364-E366 PolarHBondContact O-N 3.43Å; E366-G368 PolarHBondContact O-N 3.21Å
367Q43.7Very low47.1Very low187 Ų187111.8 Ų111.887%0.87477%0.766SS**  trans-57.7113.5179.1-69.2-177-102.800107.2G365 L369G365-Q367 PolarHBondContact O-N 3.13Å; Q367-L369 PolarHBondContact O-N 3.21Å; Q367-L369 VanDerWaalsContact O-N 3.1Å
368G48.8Very low47Very low73 Ų73118.3 Ų118.375%0.75377%0.774SS**  trans-47.3120.3-166.900000110.7E366 S370E366-G368 PolarHBondContact O-N 3.21Å; G368-S370 PolarHBondContact O-N 3.07Å
369L40Very low47.4Very low164 Ų164118.3 Ų118.386%0.85977%0.774SS**  trans-46.7114.4-167.6-71.4172.8000110Q367 G371Q367-L369 PolarHBondContact O-N 3.21Å; Q367-L369 VanDerWaalsContact O-N 3.1Å; L369-G371 PolarHBondContact O-N 2.97Å
370S49.9Very low47.4Very low107 Ų107117.9 Ų117.975%0.74877%0.769SS**PPolyproline II helixtrans-54.3127.9175.443.50000108.3G368G368-S370 PolarHBondContact O-N 3.07Å
371G53.3Low47.6Very low57 Ų57118 Ų11859%0.58877%0.774SS**PPolyproline II helixtrans-49.9140.8-176.800000110.6L369L369-G371 PolarHBondContact O-N 2.97Å
372P52.5Low47.5Very low122 Ų122119.3 Ų119.379%0.79278%0.775SS**PPolyproline II helixtrans-50.9127.7-167.519.8-33.1000110.2G374P372-G374 PolarHBondContact O-N 2.83Å
373P61.1Low47.2Very low120 Ų120119.7 Ų119.778%0.77978%0.778SS**PPolyproline II helixtrans-49.6128.6178.4-29.535.6000110.2
374G52.5Low47.1Very low59 Ų59120.4 Ų120.461%0.60878%0.784SS**PPolyproline II helixtrans-52.8143.1-178.200000110.7P372P372-G374 PolarHBondContact O-N 2.83Å
375P49.8Very low47.2Very low120 Ų120120.7 Ų120.778%0.77979%0.786SS**PPolyproline II helixtrans-53.7130-174.522.3-33.6000109.8G377P375-G377 PolarHBondContact O-N 3.1Å; P375-G377 VanDerWaalsContact O-N 3.16Å
376P56.4Low46.7Very low129 Ų129121 Ų12184%0.83879%0.79SS**PPolyproline II helixtrans-49.6125-179.5-30.436000111R378P376-R378 PolarHBondContact O-N 3.25Å
377G48.1Very low46.4Very low67 Ų67117.7 Ų117.769%0.69179%0.793SS**PPolyproline II helixtrans-55.5139.3-178.500000110.6P375 P379P375-G377 PolarHBondContact O-N 3.1Å; P375-G377 VanDerWaalsContact O-N 3.16Å; G377-P379 WeakPolarHBondContact O-CD 3.35Å
378R34.9Very low46.2Very low244 Ų244119.5 Ų119.592%0.92179%0.792SS**PPolyproline II helixtrans-52.2123.7177.9-70.3-176.2175-157.8-0.8109.6P376P376-R378 PolarHBondContact O-N 3.25Å
379P51.8Low45.9Very low124 Ų124119.1 Ų119.181%0.80579%0.788SS**PPolyproline II helixtrans-54.7145.6166.3-25.636000110.7G377G377-P379 WeakPolarHBondContact O-CD 3.35Å
380G44.9Very low45.5Very low60 Ų60117.9 Ų117.962%0.61978%0.777SS**PPolyproline II helixtrans-64.8158.5-171.700000114.5D382G380-D382 PolarHBondContact O-N 3.02Å
381L42.2Very low44.7Very low183 Ų183120.1 Ų120.196%0.95878%0.781SS**  trans-92.879.4171-79.4171.5000110.1
382D43.6Very low44.1Very low156 Ų156121.3 Ų121.383%0.83479%0.793SS**  trans-126.2135170.9-53.9-69.1000108.3G380G380-D382 PolarHBondContact O-N 3.02Å
383G39.4Very low43.2Very low77 Ų77118.8 Ų118.879%0.79478%0.783SS**  cis172.9112.3-8.800000109.3
384A42.7Very low42.2Very low102 Ų102121.6 Ų121.684%0.84379%0.785SS**  trans-79.8154.7173.800000110.4
385P48.7Very low41.6Very low134 Ų134122 Ų12287%0.8779%0.79SS**  cis-127.5-170.523.537.8-18.5000113.5
386G37.9Very low41Very low76 Ų76124.8 Ų124.878%0.78480%0.795SS**  cis143.7158.1-500000112.3
387A32.9Very low39.8Very low111 Ų111126.4 Ų126.492%0.91780%0.796SS**  trans-148.2167.3175.700000111.2
388R38.5Very low39.2Very low225 Ų225126.4 Ų126.485%0.84980%0.797SS**  trans-136.4143.2-162.2164.5-175.7163.8168.4-1.4114.1E390R388-E390 IonicContact CZ-OE1 3.66Å; R388-E390 IonicContact NE-OE1 3.74Å; R388-E390 IonicContact NH2-OE1 3.21Å; R388-E390 PolarHBondContact NH2-OE1 3.12Å
389G41.7Very low39.2Very low65 Ų65121.6 Ų121.667%0.6779%0.794SS**  trans123.6148.4154.700000114.4
390E32.9Very low38.8Very low137 Ų137121.7 Ų121.764%0.6479%0.794SS**  cis-168.7139.6-14.9-130.4164.2-14800110.2R388R388-E390 IonicContact CZ-OE1 3.66Å; R388-E390 IonicContact NE-OE1 3.74Å; R388-E390 IonicContact NH2-OE1 3.21Å; R388-E390 PolarHBondContact NH2-OE1 3.12Å
391N32.6Very low38.4Very low154 Ų154122.2 Ų122.282%0.82480%0.8SS**  trans42.5136.9161.3-47.2-35.5000121.1
392G40.9Very low38.1Very low82 Ų82122.2 Ų122.285%0.84580%0.799SS**  cis113.2145.517.100000111.9
393A34Very low37.9Very low70 Ų70124.9 Ų124.958%0.57980%0.803SS**  cis-169.5-175.3-2.600000110.7
394H39.6Very low37.8Very low178 Ų178125 Ų12582%0.82481%0.805SS**  trans69.2150.4-175.9-71.737.4000115.6
395G40.7Very low37.4Very low69 Ų69123.3 Ų123.371%0.71180%0.797SS**  cis-172.5-160.70.300000108.9
396M35.9Very low37.1Very low178 Ų178119.5 Ų119.588%0.87777%0.774SS**  cis-157.8-1773.4-68.8-173.267.100110.8
397N32Very low37.3Very low162 Ų162116.7 Ų116.787%0.86675%0.745SS**  trans-60.6161.7176.8-47.6-48.6000115.2
398G35.4Very low37.5Very low68 Ų68116.2 Ų116.270%0.70173%0.733SS**  cis146.9159.5-100000112.3
399V35.9Very low38.1Very low142 Ų142111.3 Ų111.386%0.86172%0.722SS**  trans-144.9118175.2-176.80000112.8
400P42.4Very low38.3Very low126 Ų126110.7 Ų110.782%0.81872%0.716SS**  trans-78.7148.5159.2-4.222.7000110
401G36.9Very low38.9Very low72 Ų72110.5 Ų110.574%0.74273%0.726SS**  cis142.2133.110.700000108.1
402I35.8Very low39.6Very low183 Ų183109.7 Ų109.794%0.93873%0.726SS**  trans-116.2144.9-175.656.5171.2000113.4
403K38.5Very low39.8Very low211 Ų211108.8 Ų108.892%0.91772%0.717SS**  trans-118.8132-163.7174.6-174.9176.5-177.80112
404G37.2Very low39.9Very low81 Ų81113.3 Ų113.384%0.83573%0.731SS**  trans96.9106.515500000116
405G35.2Very low40.3Very low65 Ų65110.6 Ų110.667%0.6773%0.729SS**  trans-134.299.2169.800000111.2G407G405-G407 PolarHBondContact O-N 2.87Å
406S41.5Very low40.6Very low55 Ų55110.8 Ų110.839%0.38573%0.731SS.*  trans-73.694.4178.5-74.80000110.9R781 K782S406-R781 WeakPolarHBondContact CB-O 3.31Å; S406-R781 WeakPolarHBondContact O-CD 3.38Å; S406-R781 PolarHBondContact O-NH1 3.23Å; S406-R781 PolarHBondContact OG-O 3.02Å; S406-K782 PolarHBondContact OG-O 3.33Å
407G42.3Very low40.6Very low17 Ų17107.1 Ų107.118%0.17573%0.729CS.*  trans-63.5179.1-179.600000116G405G405-G407 PolarHBondContact O-N 2.87Å
408P38.5Very low41Very low101 Ų101105.2 Ų105.266%0.65673%0.728SS**PPolyproline II helixtrans-75.2155.7-169.231.5-36.5000114.1
409I49.7Very low41.3Very low121 Ų121105.3 Ų105.362%0.62173%0.73SS**PPolyproline II helixtrans-70.2147.2161.4-62.8164.6000107.4
410G47.3Very low41.3Very low53 Ų53106 Ų10655%0.54673%0.727SS.*PPolyproline II helixtrans-63.3153.8176.800000112.1V412G410-V412 PolarHBondContact O-N 3.03Å
411P44Very low41.2Very low132 Ų132105.6 Ų105.686%0.85772%0.724SS**PPolyproline II helixtrans-59.2134172.726.8-33.7000109.6
412V47.4Very low41.5Very low137 Ų137105.6 Ų105.683%0.8372%0.724SS**PPolyproline II helixtrans-59.2138.2169.3177.30000107.9G410 L414G410-V412 PolarHBondContact O-N 3.03Å; V412-L414 PolarHBondContact O-N 3.23Å
413G46.3Very low41.4Very low63 Ų63106.2 Ų106.265%0.64972%0.723SS**PPolyproline II helixtrans-56.8131178.900000110.9
414L35.8Very low41.3Very low166 Ų166101 Ų10187%0.86972%0.719SS**PPolyproline II helixtrans-58134.2171-69.5169.1000108.8V412 G416V412-L414 PolarHBondContact O-N 3.23Å; L414-G416 PolarHBondContact O-N 2.88Å
415P48Very low41.5Very low120 Ų120100 Ų10078%0.77971%0.709SS**PPolyproline II helixtrans-53.1138.4166.4-24.534.6000109.8A417P415-A417 PolarHBondContact O-N 3Å
416G46.8Very low41.6Very low74 Ų74103.3 Ų103.376%0.76372%0.719SS**PPolyproline II helixtrans-58.2130.7179.400000110.7L414 S418L414-G416 PolarHBondContact O-N 2.88Å; G416-S418 PolarHBondContact O-N 3.34Å
417A36.7Very low41.4Very low101 Ų101109.5 Ų109.584%0.83574%0.744SS**PPolyproline II helixtrans-60.8129176.100000109.9P415 G419P415-A417 PolarHBondContact O-N 3Å; A417-G419 PolarHBondContact O-N 2.91Å
418S39Very low41.5Very low121 Ų121111.2 Ų111.285%0.84676%0.761SS**PPolyproline II helixtrans-56.4131.8178.4-59.10000110.8G416G416-S418 PolarHBondContact O-N 3.34Å
419G42.2Very low41.6Very low71 Ų71112.6 Ų112.673%0.73277%0.77SS**PPolyproline II helixtrans-62143.9-178.800000112.7A417A417-G419 PolarHBondContact O-N 2.91Å
420I35.6Very low41.2Very low155 Ų155114.9 Ų114.980%0.79578%0.78SS**PPolyproline II helixtrans-60.2127.2173.2-57161.5000108.4G422I420-G422 PolarHBondContact O-N 3.22Å; I420-G422 VanDerWaalsContact O-N 3.16Å
421P41.1Very low41.1Very low119 Ų119114.8 Ų114.877%0.77378%0.779SS**PPolyproline II helixtrans-61.5117.6175.9-23.934.8000111.2
422G43.9Very low41.1Very low71 Ų71114.8 Ų114.873%0.73278%0.779SS**PPolyproline II helixtrans-66.1145.6178.400000112.5I420I420-G422 PolarHBondContact O-N 3.22Å; I420-G422 VanDerWaalsContact O-N 3.16Å
423H32.1Very low41.1Very low196 Ų196114 Ų11491%0.90778%0.775SS**PPolyproline II helixtrans-59.1138.1174.3-62.6-84.1000111G425H423-G425 PolarHBondContact O-N 3.28Å
424A36.6Very low41.1Very low103 Ų103113.6 Ų113.685%0.85177%0.77SS**PPolyproline II helixtrans-67.2128.3-179.700000111.3
425G42.4Very low41.6Very low60 Ų60112 Ų11262%0.61977%0.769SS**PPolyproline II helixtrans-70162.9167.400000111.9H423H423-G425 PolarHBondContact O-N 3.28Å
426P37.2Very low41.6Very low134 Ų134117.8 Ų117.887%0.8778%0.776SS**PPolyproline II helixtrans-61.5139.2178.926.6-34.5000111.1G428P426-G428 PolarHBondContact O-N 3.27Å
427M36.8Very low41.8Very low185 Ų185116.7 Ų116.791%0.91176%0.764SS**PPolyproline II helixtrans-57.4118.9175.1-179.5171.965.200109.9
428G44.2Very low42.2Very low52 Ų52118.2 Ų118.254%0.53677%0.766SS.*PPolyproline II helixtrans-61.6152.517700000111.7P426 M430P426-G428 PolarHBondContact O-N 3.27Å; G428-M430 PolarHBondContact O-N 3.07Å
429P39.9Very low42.2Very low131 Ų131119.2 Ų119.285%0.85177%0.767SS**PPolyproline II helixtrans-58.5128.4176.325.7-33.8000109.6G431P429-G431 PolarHBondContact O-N 3.34Å; P429-G431 VanDerWaalsContact O-N 3.12Å
430M41.3Very low42.5Very low168 Ų168118.9 Ų118.983%0.82876%0.763SS**PPolyproline II helixtrans-53.9119.7175179.8172.764.900108.9G428G428-M430 PolarHBondContact O-N 3.07Å
431G46.8Very low42.7Very low51 Ų51116.3 Ų116.353%0.52677%0.765SS.*PPolyproline II helixtrans-57.6149178.100000110.8P429 V433P429-G431 PolarHBondContact O-N 3.34Å; P429-G431 VanDerWaalsContact O-N 3.12Å; G431-V433 PolarHBondContact O-N 2.85Å; G431-V433 VanDerWaalsContact O-N 3.12Å
432P43.2Very low42.8Very low132 Ų132118.6 Ų118.686%0.85777%0.769SS**PPolyproline II helixtrans-56124.3177.624.5-33.6000108.9G434P432-G434 PolarHBondContact O-N 2.79Å
433V47.7Very low43.3Very low122 Ų122118 Ų11874%0.73976%0.764SS**  trans-56.5113.5177.3176.70000107.4G431G431-V433 PolarHBondContact O-N 2.85Å; G431-V433 VanDerWaalsContact O-N 3.12Å
434G46.3Very low44Very low53 Ų53114.9 Ų114.955%0.54676%0.76SS.*  trans-54139.5179.600000109.8P432 R436P432-G434 PolarHBondContact O-N 2.79Å; G434-R436 PolarHBondContact O-N 3Å
435P45.5Very low44.1Very low132 Ų132114.9 Ų114.986%0.85776%0.761SS**  trans-55.9111.7-172.522.1-33.3000109.6G437P435-G437 PolarHBondContact O-N 2.93Å; P435-G437 VanDerWaalsContact O-N 3.09Å
436R48.1Very low44.5Very low243 Ų243115.7 Ų115.792%0.91777%0.769SS**PPolyproline II helixtrans-55.2119.7178.8-179.3176.4178.5171.6-0.4107.4G434G434-R436 PolarHBondContact O-N 3Å
437G51.1Low44.6Very low51 Ų51119 Ų11953%0.52677%0.773SS.*PPolyproline II helixtrans-52.9149.9-174.400000112.1P435 T439P435-G437 PolarHBondContact O-N 2.93Å; P435-G437 VanDerWaalsContact O-N 3.09Å; G437-T439 PolarHBondContact O-N 2.78Å
438P45.1Very low44.8Very low133 Ų133118.1 Ų118.186%0.86477%0.766SS**SBendtrans-53.2136.1-175.423.2-34.3000110.6G440P438-G440 PolarHBondContact O-N 3.13Å
439T38.5Very low44.9Very low141 Ų141119.3 Ų119.387%0.86578%0.778SS**  trans-49.1106.5-170.4-54.20000112.1G437 A441G437-T439 PolarHBondContact O-N 2.78Å; T439-A441 PolarHBondContact O-N 3.09Å
440G49.2Very low44.8Very low64 Ų64121.2 Ų121.266%0.6678%0.778SS**PPolyproline II helixtrans-59.2135.8166.900000109.7P438P438-G440 PolarHBondContact O-N 3.13Å
441A40.1Very low44.6Very low101 Ų101123 Ų12384%0.83578%0.781SS**PPolyproline II helixtrans-60.3147.5-176.600000111.9T439 G443T439-A441 PolarHBondContact O-N 3.09Å; A441-G443 PolarHBondContact O-N 2.95Å
442I43.6Very low44.5Very low168 Ų168124.1 Ų124.186%0.86279%0.793SS**PPolyproline II helixtrans-61.8119.4-178.1-65.7163000110.2
443G54.2Low44.3Very low59 Ų59122.1 Ų122.161%0.60879%0.787SS**PPolyproline II helixtrans-85.3139.915700000109.9A441A441-G443 PolarHBondContact O-N 2.95Å
444P45.7Very low43.9Very low129 Ų129122 Ų12284%0.83879%0.787SS**PPolyproline II helixtrans-68.3158.4177.729.5-35.1000112.1
445A40.4Very low43.7Very low104 Ų104123 Ų12386%0.8680%0.798SS**PPolyproline II helixtrans-67.4147.8-176.800000113.3
446G50.1Low43.3Very low77 Ų77123.8 Ų123.879%0.79479%0.794SS**PPolyproline II helixtrans-95.3147.4166.500000111.4
447E39.6Very low43.4Very low203 Ų203118 Ų11895%0.94979%0.788SS**PPolyproline II helixtrans-79.1164.3-169-65.5-174.3118.500115.5
448Q39.8Very low43Very low167 Ų167119.4 Ų119.478%0.7880%0.803SS**PPolyproline II helixtrans-74.1126.5-174.9178.7-171.6-89.400113.8
449G46.7Very low42.9Very low76 Ų76116.6 Ų116.678%0.78480%0.798SS**PPolyproline II helixtrans-77.6132.6163.600000112.2
450M37.8Very low43.1Very low172 Ų172118.4 Ų118.485%0.84780%0.796SS**PPolyproline II helixtrans-89.6158.1-171.6-66.5-175.174.200115.1
451K37.9Very low42.8Very low204 Ų204118.1 Ų118.189%0.88779%0.793SS**PPolyproline II helixtrans-58.4139.9-179-115.6174.5-179.7171.70114.2
452G44.1Very low42.9Very low76 Ų76119.7 Ų119.778%0.78479%0.788SS**PPolyproline II helixtrans-81.1148.3149.500000110.8
453A38.7Very low42.9Very low89 Ų89117.7 Ų117.774%0.73679%0.789SS**  trans-125.6131.1-164.200000115.5
454T40.3Very low42.3Very low119 Ų119118 Ų11873%0.7379%0.792SS**  trans62.4116.6139.6-47.30000120.9L456T454-L456 HydrophobicContact CG2-CB 4.23Å; T454-L456 HydrophobicContact CG2-CD1 3.68Å; T454-L456 HydrophobicContact CG2-CG 3.79Å
455G41.1Very low41.9Very low76 Ų76120.1 Ų120.178%0.78480%0.796SS**  trans-126.7131.1142.400000109.5
456L37.6Very low42.2Very low147 Ų147122.4 Ų122.477%0.7780%0.799SS**  trans-152.8167.1-172.7-75.8176000109.6T454T454-L456 HydrophobicContact CG2-CB 4.23Å; T454-L456 HydrophobicContact CG2-CD1 3.68Å; T454-L456 HydrophobicContact CG2-CG 3.79Å
457P50Low42Very low121 Ų121121.6 Ų121.679%0.78679%0.791SS**  -140.7-170.7-51.241.1-24.3000112.3
458G41.9Very low41.8Very low81 Ų81119.8 Ų119.884%0.83579%0.788SS**  trans172.9136.5157.300000113.4
459G43.7Very low42.6Very low75 Ų75118 Ų11877%0.77379%0.791SS**  cis172.6120.3-10.200000113.4
460H42.6Very low42.5Very low178 Ų178117.8 Ų117.882%0.82479%0.788SS**  trans56.7151.8179.3-91.1-46.8000118.5D462H460-D462 IonicContact CE1-OD1 2.95Å; H460-D462 PolarHBondContact CE1-OD1 3.12Å; H460-D462 VanDerWaalsContact CE1-OD1 3.23Å; H460-D462 IonicContact CE1-OD2 3.23Å; H460-D462 PolarHBondContact CE1-OD2 3.1Å; H460-D462 VanDerWaalsContact CE1-OD2 3.29Å; H460-D462 IonicContact ND1-OD1 3.82Å; H460-D462 PolarHBondContact ND1-OD1 3.07Å; H460-D462 IonicContact ND1-OD2 2.86Å; H460-D462 PolarHBondContact ND1-OD2 2.94Å
461G43.5Very low42.6Very low58 Ų58115 Ų11560%0.59878%0.782SS**  cis-168.3153.1-3.300000115.3
462D41.9Very low43Very low135 Ų135113.1 Ų113.172%0.72278%0.782SS**  59.4136.5129.4-38.1-14.7000118.5H460H460-D462 IonicContact CE1-OD1 2.95Å; H460-D462 PolarHBondContact CE1-OD1 3.12Å; H460-D462 VanDerWaalsContact CE1-OD1 3.23Å; H460-D462 IonicContact CE1-OD2 3.23Å; H460-D462 PolarHBondContact CE1-OD2 3.1Å; H460-D462 VanDerWaalsContact CE1-OD2 3.29Å; H460-D462 IonicContact ND1-OD1 3.82Å; H460-D462 PolarHBondContact ND1-OD1 3.07Å; H460-D462 IonicContact ND1-OD2 2.86Å; H460-D462 PolarHBondContact ND1-OD2 2.94Å
463S42.9Very low43Very low126 Ų126113.1 Ų113.188%0.88178%0.782SS**  cis-163.9153.8-3.2-165.90000107.6
464G41.4Very low43.1Very low65 Ų65117.8 Ų117.867%0.6779%0.789SS**  cis166.4135.1-500000110.3
465D38.7Very low43.5Very low173 Ų173118 Ų11893%0.92579%0.791SS**  trans-98.2150.5174.9-75.3-59.6000111.3
466V46.7Very low43.9Very low152 Ų152117.4 Ų117.492%0.92178%0.784SS**  trans-82.7131.7177.4177.80000109.6
467G44.4Very low44.1Very low60 Ų60116.7 Ų116.762%0.61979%0.788SS**  trans-110.2155.2-178.700000114.5
468D35.6Very low44Very low166 Ų166120.2 Ų120.289%0.88879%0.794SS**  trans-78.7127.8-179.7-60.7-63.6000113.3
469P56.4Low44.8Very low130 Ų130119 Ų11984%0.84478%0.782SS**  trans-87.6109.6174.3-1230.4000114.2
470G44.6Very low44.8Very low70 Ų70121.9 Ų121.972%0.72279%0.786SS**  trans27.4121.114600000123.1
471P40.6Very low44.8Very low113 Ų113118.3 Ų118.373%0.73479%0.788SS**  trans-75.1164.315333.6-34000111.4
472D47.2Very low45.4Very low165 Ų165119.1 Ų119.188%0.88280%0.796SS**  cis-155.1173.4-8.4-108.1-31.9000109
473G44.1Very low45.7Very low76 Ų76117.7 Ų117.778%0.78480%0.803SS**  trans-139.495.6-179.100000115.6
474E40.8Very low45.9Very low187 Ų187118.6 Ų118.687%0.87480%0.803SS**  trans-74.3152.1164.1-69.5-171.2169.700111.5
475T46.9Very low46.9Very low125 Ų125118 Ų11877%0.76780%0.797SS**  cis-159.4148.5-15.3-90.30000107.3
476G49.7Very low47.4Very low62 Ų62115.6 Ų115.664%0.63979%0.791SS**  trans-113.6142.3171.800000112.2
477P42.8Very low47.9Very low132 Ų132114.5 Ų114.586%0.85779%0.787SS**PPolyproline II helixtrans-74.5158.8-17831.1-35.7000113.5
478E46.7Very low48.5Very low195 Ų195115.1 Ų115.191%0.91179%0.793SS**PPolyproline II helixtrans-64.6139.2-172.7-170.8174.2-165.800114.2
479G59.7Low49.1Very low56 Ų56115.3 Ų115.358%0.57779%0.793SS**PPolyproline II helixtrans-97.7154.8172.400000112.4
480P43.9Very low49Very low135 Ų135115 Ų11588%0.87779%0.791SS**PPolyproline II helixtrans-67.6149.9-170.427.9-35.8000113.8
481A42.7Very low49.7Very low104 Ų104114.5 Ų114.586%0.8679%0.786SS**PPolyproline II helixtrans-57.9137.4-172.600000114.6
482G56.9Low50.2Low74 Ų74115.3 Ų115.376%0.76379%0.792SS**PPolyproline II helixtrans-71.8151.2172.500000113.1
483A46.2Very low50.1Low106 Ų106113.8 Ų113.888%0.87679%0.788SS**PPolyproline II helixtrans-68.4143-176.200000113.3G485A483-G485 PolarHBondContact O-N 3.05Å
484V47.2Very low50.4Low144 Ų144113.3 Ų113.387%0.87378%0.783SS**PPolyproline II helixtrans-68124.4179177.40000110.8
485G63.5Low50.4Low52 Ų52112 Ų11254%0.53678%0.782SS.*PPolyproline II helixtrans-72.9150.517100000112.4A483A483-G485 PolarHBondContact O-N 3.05Å
486P49.7Very low50.2Low124 Ų124114.5 Ų114.581%0.80579%0.785SS**PPolyproline II helixtrans-64.9145.3-179.327.7-34.8000111.7
487P55.8Low50.2Low128 Ų128113.8 Ų113.883%0.83178%0.778SS**PPolyproline II helixtrans-58.8138.9179.6-25.234.7000113.2
488G58.7Low50.5Low73 Ų73113.6 Ų113.675%0.75378%0.777SS**PPolyproline II helixtrans-63.3142.6169.400000111.4
489L47Very low50.4Low170 Ų170112.9 Ų112.989%0.8977%0.773SS**PPolyproline II helixtrans-61.7139.4178.6-69.9169.5000110.9G491L489-G491 PolarHBondContact O-N 3.29Å
490P54.3Low49.7Very low123 Ų123112.9 Ų112.980%0.79977%0.773SS**PPolyproline II helixtrans-59.4131.6-179.9-24.634.2000112.6
491G59.7Low49.7Very low60 Ų60112.4 Ų112.462%0.61977%0.77SS**PPolyproline II helixtrans-66.8152.7164.700000110.9L489 V493L489-G491 PolarHBondContact O-N 3.29Å; G491-V493 PolarHBondContact O-N 3.46Å
492P50.1Low49.7Very low131 Ų131116.1 Ų116.185%0.85177%0.769SS**PPolyproline II helixtrans-61.2138.4175.227.1-34.1000110.4G494P492-G494 PolarHBondContact O-N 2.9Å
493V45.5Very low49Very low133 Ų133115.9 Ų115.981%0.80677%0.767SS**PPolyproline II helixtrans-59.7119179.21760000109.5G491G491-V493 PolarHBondContact O-N 3.46Å
494G50.2Low48.5Very low66 Ų66115.3 Ų115.368%0.6876%0.762SS**PPolyproline II helixtrans-75.5136.5156.100000108.3P492 Q496P492-G494 PolarHBondContact O-N 2.9Å; G494-Q496 PolarHBondContact O-N 3.28Å
495D41.1Very low48.3Very low159 Ų159113.4 Ų113.485%0.8576%0.756SS**PPolyproline II helixtrans-49.6127.7-171.9-63.9-60.7000111.8G497D495-G497 PolarHBondContact O-N 2.86Å
496Q42.9Very low47.3Very low177 Ų177113.9 Ų113.983%0.82776%0.761SS**  trans-62.2107173-179.8174.6-1300107.8G494G494-Q496 PolarHBondContact O-N 3.28Å
497G50Low46.9Very low48 Ų48113.6 Ų113.650%0.49576%0.759SS.*PPolyproline II helixtrans-53.9151.7171.600000110.3D495 E499D495-G497 PolarHBondContact O-N 2.86Å; G497-E499 PolarHBondContact O-N 3.27Å
498P47.9Very low46.5Very low128 Ų128113.3 Ų113.383%0.83176%0.757SS**PPolyproline II helixtrans-51.9135.7-178.923.8-34.4000109.6G500P498-G500 PolarHBondContact O-N 3.17Å
499E44.7Very low45.7Very low180 Ų180112.8 Ų112.884%0.84175%0.751SS**PPolyproline II helixtrans-47.3116.5179.9-174.2167.4-161.300109.3G497G497-E499 PolarHBondContact O-N 3.27Å
500G45.9Very low45.3Very low55 Ų55110.2 Ų110.257%0.56775%0.745SS**PPolyproline II helixtrans-58.1133.9-179.200000108.3P498 E502P498-G500 PolarHBondContact O-N 3.17Å; G500-E502 PolarHBondContact O-N 2.89Å
501P44.3Very low44.7Very low126 Ų126108.9 Ų108.982%0.81874%0.744SS**PPolyproline II helixtrans-53.2131.4-176.723.1-33.9000109.1G503P501-G503 PolarHBondContact O-N 3.03Å; P501-G503 VanDerWaalsContact O-N 3.07Å
502E41.5Very low43.9Very low181 Ų181109.2 Ų109.285%0.84675%0.747SS**  trans-37.8115.5-172.3-175.8178.6-171.600110.3G500 A504G500-E502 PolarHBondContact O-N 2.89Å; E502-A504 PolarHBondContact O-N 3.01Å
503G42Very low43.3Very low70 Ų70113.5 Ų113.572%0.72275%0.748SS**  trans-57.5104-165.900000110.1P501 S505P501-G503 PolarHBondContact O-N 3.03Å; P501-G503 VanDerWaalsContact O-N 3.07Å; G503-S505 PolarHBondContact O-N 2.99Å; G503-S505 VanDerWaalsContact O-N 3.08Å
504A37.1Very low43.2Very low93 Ų93114.9 Ų114.977%0.76975%0.751SS**  trans-47.4118-162.700000110.8E502 G506E502-A504 PolarHBondContact O-N 3.01Å; A504-G506 PolarHBondContact O-N 2.95Å
505S42.8Very low43Very low105 Ų105114.3 Ų114.373%0.73475%0.746SS**  trans-45.2115.7-177.4-49.60000109G503G503-S505 PolarHBondContact O-N 2.99Å; G503-S505 VanDerWaalsContact O-N 3.08Å
506G42.8Very low43Very low62 Ų62112.5 Ų112.564%0.63974%0.742SS**PPolyproline II helixtrans-49.8129.3-178.300000108.7A504A504-G506 PolarHBondContact O-N 2.95Å
507P40Very low43.1Very low118 Ų118110.1 Ų110.177%0.76674%0.742SS**PPolyproline II helixtrans-52.8130.3-171.221-32.9000108.4G509P507-G509 PolarHBondContact O-N 3.36Å
508P47.7Very low42.9Very low122 Ų122111.1 Ų111.179%0.79275%0.752SS**PPolyproline II helixtrans-47.6122.3-179.1-3035.4000109.3
509G42.5Very low42.4Very low62 Ų62113.9 Ų113.964%0.63976%0.757SS**PPolyproline II helixtrans-48.8130.5-174.200000109P507 A511P507-G509 PolarHBondContact O-N 3.36Å; G509-A511 PolarHBondContact O-N 3.18Å; G509-A511 VanDerWaalsContact O-N 3.09Å
510P39.1Very low42.3Very low116 Ų116113 Ų11375%0.75376%0.758SS**PPolyproline II helixtrans-50.9121.8-160.718.8-32.8000109.8G512P510-G512 PolarHBondContact O-N 3.21Å
511A41.8Very low42.3Very low94 Ų94114 Ų11478%0.77777%0.768SS**PPolyproline II helixtrans-48.6118.3-17600000108.4G509 Y513G509-A511 PolarHBondContact O-N 3.18Å; G509-A511 VanDerWaalsContact O-N 3.09Å; A511-Y513 PolarHBondContact O-N 3.33Å; A511-Y513 VanDerWaalsContact O-N 3.15Å
512G41.9Very low42Very low67 Ų67117.5 Ų117.569%0.69177%0.77SS**PPolyproline II helixtrans-54.6125-171.400000109P510 D514P510-G512 PolarHBondContact O-N 3.21Å; G512-D514 PolarHBondContact O-N 3.16Å
513Y37.3Very low41.9Very low222 Ų222117.1 Ų117.187%0.87177%0.774SS**  trans-48.1111.5-170.1-60.3-83.5000110.8A511 G515A511-Y513 PolarHBondContact O-N 3.33Å; A511-Y513 VanDerWaalsContact O-N 3.15Å; Y513-G515 PolarHBondContact O-N 3.43Å; Y513-G515 VanDerWaalsContact O-N 3.13Å
514D44.1Very low41.9Very low161 Ų161117 Ų11786%0.86177%0.773SS**PPolyproline II helixtrans-52.5123.9170.3-79.9-48.5000107.6G512G512-D514 PolarHBondContact O-N 3.16Å
515G45.3Very low41.8Very low55 Ų55121.1 Ų121.157%0.56778%0.781SS**PPolyproline II helixtrans-55.3142.5-178.800000109.8Y513 P517Y513-G515 PolarHBondContact O-N 3.43Å; Y513-G515 VanDerWaalsContact O-N 3.13Å; G515-P517 VanDerWaalsContact O-N 3.14Å
516P40.6Very low41.7Very low121 Ų121122.2 Ų122.279%0.78679%0.789SS**PPolyproline II helixtrans-51.5126.7179.322.3-33.2000108.7G518P516-G518 PolarHBondContact O-N 3.28Å
517P46.2Very low41.7Very low126 Ų126122.6 Ų122.682%0.81879%0.792SS**PPolyproline II helixtrans-47.4126.7-172.8-33.236.2000111.6G515 M519G515-P517 VanDerWaalsContact O-N 3.14Å; P517-M519 PolarHBondContact O-N 2.89Å
518G45.7Very low41.7Very low69 Ų69126.2 Ų126.271%0.71180%0.796SS**PPolyproline II helixtrans-53.6127.4-174.100000110.7P516 D520P516-G518 PolarHBondContact O-N 3.28Å; G518-D520 PolarHBondContact O-N 3.15Å
519M38.1Very low41.6Very low187 Ų187126.7 Ų126.792%0.92179%0.792SS**PPolyproline II helixtrans-54.6128.9-179.7-51.5178.679.600109.3P517 G521P517-M519 PolarHBondContact O-N 2.89Å; M519-G521 PolarHBondContact O-N 3.02Å
520D41.4Very low41.7Very low162 Ų162127.5 Ų127.587%0.86680%0.8SS**  trans-47.6115.1-167.3-68.7-61.9000112.9G518 K522G518-D520 PolarHBondContact O-N 3.15Å; D520-K522 PolarHBondContact O-N 3.09Å; D520-K522 VanDerWaalsContact O-N 3.16Å
521G46.6Very low41.8Very low75 Ų75130.7 Ų130.777%0.77380%0.802SS**  trans-68.4110.3179.400000110.1M519M519-G521 PolarHBondContact O-N 3.02Å
522K37.8Very low42.1Very low199 Ų199132 Ų13287%0.86580%0.803SS**  trans-50.9138180-57.4175.8-175.3176.60111.2D520 G524D520-K522 PolarHBondContact O-N 3.09Å; D520-K522 VanDerWaalsContact O-N 3.16Å; K522-G524 PolarHBondContact O-N 3.2Å
523D39.2Very low42.3Very low173 Ų173131.9 Ų131.993%0.92580%0.802SS**  trans-49.3130.4-171.6-64.9-78.3000114.3
524G42.3Very low42.7Very low68 Ų68127.5 Ų127.570%0.70180%0.801SS**  trans-137.735.9-159.400000116.7K522K522-G524 PolarHBondContact O-N 3.2Å
525L35.7Very low42.8Very low180 Ų180127.3 Ų127.394%0.94280%0.795SS**  trans69.4161.5169.2-57.8173.1000117.7
526S39.7Very low42.8Very low128 Ų128128.6 Ų128.690%0.89581%0.808SS**  trans-102.5146.7-160.2-45.70000116
527G43.1Very low43.1Very low69 Ų69128.1 Ų128.171%0.71180%0.802SS**  trans134.9142.515200000115.4
528K39.1Very low43.1Very low195 Ų195127.8 Ų127.885%0.84880%0.8SS**  cis-151.4151.3-1.8-60.1-178.6-175.5173.60111.5
529D47.2Very low43.1Very low131 Ų131128 Ų12870%0.70180%0.803SS**  trans45.3108.3155-68.7-69.1000121.4K531D529-K531 WeakPolarHBondContact OD1-CE 3.18Å
530G42.7Very low43.3Very low80 Ų80128.9 Ų128.983%0.82580%0.804SS**  trans-147.711215000000108.4
531K42Very low43.2Very low182 Ų182129.8 Ų129.879%0.79180%0.803SS**PPolyproline II helixtrans-88.6153.6-159.2-78.3-177.4179175.50115.1D529D529-K531 WeakPolarHBondContact OD1-CE 3.18Å
532P48.9Very low43.3Very low121 Ų121129.6 Ų129.679%0.78680%0.801SS**PPolyproline II helixtrans-99.4169.2-158.939.1-37000115.1
533G45.4Very low43.4Very low66 Ų66124.8 Ų124.868%0.6880%0.799SS**PPolyproline II helixtrans-77149.3165.300000112.8
534P46Very low43.5Very low129 Ų129122.2 Ų122.284%0.83879%0.789SS**PPolyproline II helixtrans-83.4118.7-170.631.2-34.7000114.7
535Q45Very low43.8Very low158 Ų158122.6 Ų122.674%0.73879%0.793SS**  32.3109.2129.8-169.9176.619.900119.1V537Q535-V537 HydrophobicContact CG-CG1 3.81Å; Q535-V537 HydrophobicContact CG-CG2 4.49Å
536G46.2Very low44.1Very low81 Ų81123.2 Ų123.284%0.83579%0.788SS**  trans-89.5145.6143.400000110.4
537V47Very low44.2Very low112 Ų112121.4 Ų121.468%0.67978%0.781SS**  trans-124.4155.7-179.9-95.70000111.2Q535Q535-V537 HydrophobicContact CG-CG1 3.81Å; Q535-V537 HydrophobicContact CG-CG2 4.49Å
538P46.1Very low44.4Very low119 Ų119122.1 Ų122.177%0.77379%0.789SS**PPolyproline II helixtrans-100.1166-133.7-526.1000115.5
539G46.7Very low44.5Very low74 Ų74124.5 Ų124.576%0.76379%0.792SS**PPolyproline II helixtrans-74.6156.4161.800000112.5
540E40.3Very low44.1Very low204 Ų204128.4 Ų128.495%0.95380%0.797SS**PPolyproline II helixtrans-78.2165.3-165.4-65.2-173.210800116.2
541Q39.7Very low44.3Very low181 Ų181128 Ų12885%0.84679%0.792SS**PPolyproline II helixtrans-82.6132.4-179177-174.9-6.600112.9
542G49.6Very low44.1Very low71 Ų71125.6 Ų125.673%0.73279%0.789SS**  trans-144.7141.5162.300000110.8
543A40.6Very low44.2Very low98 Ų98131.5 Ų131.581%0.8180%0.795SS**  cis-148.6162.3-5.900000110.5G545A543-G545 PolarHBondContact O-N 3.33Å
544V39.3Very low44.3Very low119 Ų119131.2 Ų131.272%0.72179%0.792SS**  trans-85.6107.2179.4176.30000110.9K546V544-K546 HydrophobicContact CG1-CG 4.02Å
545G50.1Low44.2Very low77 Ų77130.9 Ų130.979%0.79479%0.79SS**  trans-105.2114.6165.500000111.3A543A543-G545 PolarHBondContact O-N 3.33Å
546K41.2Very low44.5Very low192 Ų192129.4 Ų129.484%0.83579%0.794SS**  trans-98.1108.1-179.5-77.4-173.5177.6178.70112.9V544V544-K546 HydrophobicContact CG1-CG 4.02Å
547A42.5Very low44.8Very low91 Ų91128.6 Ų128.675%0.75279%0.786SS**  trans38.2108.7148.300000119.9
548G45.9Very low44.6Very low84 Ų84129.3 Ų129.387%0.86679%0.792SS**  trans-72.9151.1141.200000110.5
549R43.3Very low44.6Very low244 Ų244132.7 Ų132.792%0.92180%0.798SS**  trans-113.9152.3-177.7-92.7-168.9171.9-156.3-1.6113.3
550R38.8Very low44.7Very low214 Ų214132.4 Ų132.481%0.80880%0.795SS**  trans69104.8162.6179.6166.9-82.3158.1-3.7117.4D552R550-D552 IonicContact CZ-OD2 2.67Å; R550-D552 IonicContact NE-OD2 3.99Å; R550-D552 PolarHBondContact NE-OD2 3.07Å; R550-D552 IonicContact NH2-OD2 3.93Å
551G45.6Very low44.5Very low70 Ų70129.8 Ų129.872%0.72278%0.78SS**  trans-144.493.9137.200000106.3R553G551-R553 PolarHBondContact O-N 2.94Å
552D37.2Very low44.7Very low133 Ų133132.7 Ų132.771%0.71178%0.784SS**  trans-75.286.9-167-62.8-46.6000110.5R550R550-D552 IonicContact CZ-OD2 2.67Å; R550-D552 IonicContact NE-OD2 3.99Å; R550-D552 PolarHBondContact NE-OD2 3.07Å; R550-D552 IonicContact NH2-OD2 3.93Å
553R50.9Low44.5Very low244 Ų244132.5 Ų132.592%0.92178%0.782SS**PPolyproline II helixtrans-96.2139.7176.7-160171.3-171.9168.72.8109.9G551G551-R553 PolarHBondContact O-N 2.94Å
554G49.1Very low44.3Very low60 Ų60138.8 Ų138.862%0.61979%0.787SS**PPolyproline II helixtrans-59.2165.2-166.800000116.2
555P42.7Very low44.2Very low122 Ų122142.8 Ų142.879%0.79279%0.794SS**PPolyproline II helixtrans-57.8138.8-174.924.7-34.7000111.7G557P555-G557 PolarHBondContact O-N 2.84Å
556P53Low44Very low128 Ų128142.1 Ų142.183%0.83179%0.787SS**PPolyproline II helixtrans-56.4130.3170-23.533.9000110.5
557G50.6Low43.6Very low63 Ų63142.5 Ų142.565%0.64979%0.792SS**PPolyproline II helixtrans-59.1145.5170.400000110.5P555 Q559P555-G557 PolarHBondContact O-N 2.84Å; G557-Q559 PolarHBondContact O-N 2.8Å
558P43.2Very low43.5Very low127 Ų127147.4 Ų147.483%0.82580%0.799SS**PPolyproline II helixtrans-57.8137.1-178.324.5-34000110.6G560P558-G560 PolarHBondContact O-N 2.99Å
559Q47.4Very low43.3Very low190 Ų190146.5 Ų146.589%0.88879%0.79SS**  trans-59.1110.7-175.1-178178.2-500110.6G557 K561G557-Q559 PolarHBondContact O-N 2.8Å; Q559-K561 PolarHBondContact O-N 2.99Å
560G48.6Very low42.7Very low68 Ų68142.2 Ų142.270%0.70179%0.79SS**  trans-55.8122177.800000111P558P558-G560 PolarHBondContact O-N 2.99Å
561K36Very low42.7Very low149 Ų149140 Ų14065%0.64879%0.791SS**  trans-60.9142.1176.7-77159.7170.1-82.80109.9Q559 G563 E721Q559-K561 PolarHBondContact O-N 2.99Å; K561-G563 PolarHBondContact O-N 3.18Å; K561-E721 VanDerWaalsContact CD-OE1 3.3Å; K561-E721 WeakPolarHBondContact CD-OE1 3.37Å; K561-E721 WeakPolarHBondContact CE-OE1 3.5Å; K561-E721 WeakPolarHBondContact CE-OE2 3.42Å; K561-E721 IonicContact NZ-OE1 3.63Å; K561-E721 PolarHBondContact NZ-OE1 3.39Å; K561-E721 IonicContact NZ-OE2 2.66Å; K561-E721 PolarHBondContact NZ-OE2 2.83Å
562R42.6Very low42.4Very low242 Ų242139.1 Ų139.191%0.91378%0.782SS**  trans-67.992.7-173.6-168.4-174.8-142173.88.1110.6
563G45.6Very low42.3Very low68 Ų68139.3 Ų139.370%0.70179%0.79SS**  trans-56.2137.4175.300000111.8K561K561-G563 PolarHBondContact O-N 3.18Å
564Y36.4Very low41.7Very low230 Ų230133.4 Ų133.490%0.90278%0.784SS**  trans-68.8143.5174.8-73-94.6000110.2G566Y564-G566 PolarHBondContact O-N 3.47Å
565K37Very low41Very low203 Ų203134.3 Ų134.388%0.88379%0.793SS**  trans-71.899.4-177.2-170.5-172.8-179.4-169.50110.1
566G46.7Very low40.8Very low62 Ų62134.1 Ų134.164%0.63979%0.789SS**PPolyproline II helixtrans-59.6150.7169.600000111.9Y564Y564-G566 PolarHBondContact O-N 3.47Å
567Q33.4Very low39.9Very low201 Ų201139.2 Ų139.294%0.93979%0.793SS**PPolyproline II helixtrans-79.6119.2170.4-68.4172.6-55.600108.5
568E40.7Very low39.2Very low193 Ų193139.4 Ų139.490%0.90280%0.795SS**PPolyproline II helixtrans-82.9137.1176.5-164.7162.2-142.600110.1
569G40Very low38.6Very low65 Ų65140.2 Ų140.267%0.6780%0.798SS**PPolyproline II helixtrans-75.7157.3-169.800000114.2M571G569-M571 PolarHBondContact O-N 3.11Å
570V31.6Very low38Very low154 Ų154139.7 Ų139.793%0.93380%0.799SS**  trans-73.498.7178-176.70000110.3
571M38.5Very low37.2Very low169 Ų169139.4 Ų139.483%0.83380%0.796SS**PPolyproline II helixtrans-75.6130.2170.1-173.6162.859.700110.7G569G569-M571 PolarHBondContact O-N 3.11Å
572G39.8Very low37Very low50 Ų50141 Ų14152%0.51581%0.811SS.*PPolyproline II helixtrans-69.8157-17800000113.9P574G572-P574 VanDerWaalsContact O-CD 3.28Å; G572-P574 WeakPolarHBondContact O-CD 3.41Å
573P34.1Very low36.5Very low137 Ų137137.8 Ų137.889%0.8981%0.81SS**PPolyproline II helixtrans-81.9120.1-170.531.2-34.5000113.7
574P39.1Very low35.9Very low121 Ų121137.3 Ų137.379%0.78681%0.805SS**PPolyproline II helixtrans-94.4145.7172.8-1.222.8000112.4G572G572-P574 VanDerWaalsContact O-CD 3.28Å; G572-P574 WeakPolarHBondContact O-CD 3.41Å
575G34.1Very low35.7Very low79 Ų79134.4 Ų134.481%0.81480%0.803SS**  trans73117.6149.700000118.9
576V38.4Very low35.9Very low117 Ų117130.7 Ų130.771%0.70980%0.8SS**  trans-121.2128.5159.4178.60000108
577Y35.1Very low35.5Very low235 Ų235131.1 Ų131.192%0.92280%0.804SS**  trans160.5148150.4-85-58.6000107.8
578G34.4Very low35.5Very low67 Ų67127.4 Ų127.469%0.69180%0.8SS**  cis-146.8172-2.900000111.5
579V31.3Very low35.3Very low145 Ų145126.3 Ų126.388%0.87980%0.801SS**  trans-120.8116.8-170.8179.50000111.6
580I34.5Very low35.2Very low179 Ų179126.7 Ų126.792%0.91881%0.805SS**  trans-145.2140.1160.9-55.2176.2000105.6
581G31.5Very low35.4Very low61 Ų61128.9 Ų128.963%0.62981%0.805SS**  cis-173.3165.5-3.500000110.1I583G581-I583 PolarHBondContact O-N 3.33Å
582L31.7Very low35.5Very low183 Ų183127.9 Ų127.996%0.95881%0.808SS**  trans-74.1120.9-173.1-75.6155.4000113.3
583I33.3Very low35.6Very low174 Ų174128.8 Ų128.889%0.89282%0.818SS**  trans-135.3139.7153.4-58.5-179.8000105.5G581G581-I583 PolarHBondContact O-N 3.33Å
584G32.9Very low35.6Very low58 Ų58129.6 Ų129.660%0.59882%0.82SS**  cis158.1134.40.300000107.4P586G584-P586 WeakPolarHBondContact O-CD 3.5Å
585I30.8Very low35.7Very low170 Ų170131.7 Ų131.787%0.87283%0.825SS**PPolyproline II helixtrans-68.3126.5-170.9-46.8173.7000109.4G587I585-G587 PolarHBondContact O-N 3.11Å
586P43.1Very low36.2Very low125 Ų125131.5 Ų131.581%0.81282%0.822SS**PPolyproline II helixtrans-61.5119.9178.6-25.435.7000112.7G584G584-P586 WeakPolarHBondContact O-CD 3.5Å
587G38.2Very low36.4Very low71 Ų71132.2 Ų132.273%0.73283%0.827SS**PPolyproline II helixtrans-93.5157.1166.600000111.4I585I585-G587 PolarHBondContact O-N 3.11Å
588S33.2Very low36.6Very low122 Ų122128.2 Ų128.285%0.85383%0.827SS**PPolyproline II helixtrans-57.2147.7-173.749.20000116
589N35.6Very low37Very low171 Ų171128 Ų12891%0.91483%0.825SS**PPolyproline II helixtrans-47.5155.3-179.1-54.5-6.5000116.7
590G38.8Very low37.5Very low73 Ų73129.3 Ų129.375%0.75383%0.827SS**  trans-163.783.8169.600000115.3
591E35.7Very low38.1Very low199 Ų199126.5 Ų126.593%0.9382%0.82SS**  trans62176.6157.7-56.1-165.8130.100120.3
592T40.7Very low38.9Very low148 Ų148127 Ų12791%0.90883%0.825SS**  trans-142.6152.8-147.542.30000116.3
593G40.4Very low39.3Very low70 Ų70126.5 Ų126.572%0.72282%0.823SS**  trans121.8150162.400000115.1
594V34.7Very low40Very low153 Ų153124 Ų12493%0.92782%0.818SS**  cis-150.9165-9.3-150.10000108.8
595N40.8Very low40.9Very low166 Ų166124.5 Ų124.589%0.88882%0.822SS**  trans-69.5149.3-178.3-86.2-14.2000115.6
596G45.4Very low41.6Very low74 Ų74125.6 Ų125.676%0.76382%0.824SS**  trans-167.6142.216200000110.4
597T41.7Very low42Very low133 Ų133125.6 Ų125.682%0.81682%0.824SS**  trans-137.3167.1-166.250.50000114.8
598V40.7Very low42.7Very low151 Ų151125.6 Ų125.692%0.91582%0.824SS**  trans92.9127165.6-173.20000117.2
599G42.5Very low43.2Very low62 Ų62126.2 Ų126.264%0.63982%0.823SS**  trans119.2106.8166.200000112.5P601G599-P601 VanDerWaalsContact O-CD 3.3Å; G599-P601 WeakPolarHBondContact O-CD 3.18Å
600D41.7Very low43.9Very low173 Ų173125.4 Ų125.493%0.92582%0.818SS**PPolyproline II helixtrans-85.8118.1175.2-66-57000111.4
601P46.8Very low44.6Very low119 Ų119125.2 Ų125.277%0.77382%0.817SS**PPolyproline II helixtrans-96.2160.1163.42.521.2000110.2G599G599-P601 VanDerWaalsContact O-CD 3.3Å; G599-P601 WeakPolarHBondContact O-CD 3.18Å
602G47.4Very low45Very low72 Ų72127.3 Ų127.374%0.74282%0.816SS**PPolyproline II helixtrans-59.8156.2-177.700000114.4
603L41.4Very low45.6Very low173 Ų173125.8 Ų125.891%0.90681%0.809SS**PPolyproline II helixtrans-49.3127.5176-71.5169.1000111.1G605L603-G605 PolarHBondContact O-N 3.12Å
604P48Very low46.2Very low122 Ų122125.8 Ų125.879%0.79281%0.809SS**PPolyproline II helixtrans-56.3138.8168.5-24.434.4000110.7
605G50.8Low46.5Very low67 Ų67126.9 Ų126.969%0.69181%0.809SS**PPolyproline II helixtrans-55.2146.7170.500000110.7L603 P607L603-G605 PolarHBondContact O-N 3.12Å; G605-P607 WeakPolarHBondContact O-CD 3.5Å
606Q45.8Very low46.8Very low193 Ų193130.3 Ų130.390%0.90281%0.809SS**PPolyproline II helixtrans-55.6126.6178.7-73.9-174-13.400109.7G608Q606-G608 PolarHBondContact O-N 2.8Å; Q606-G608 VanDerWaalsContact O-N 3.16Å
607P50.9Low47.2Very low125 Ų125129.7 Ų129.781%0.81280%0.803SS**PPolyproline II helixtrans-53.7125.2171.9-26.435000109.6G605 T609G605-P607 WeakPolarHBondContact O-CD 3.5Å; P607-T609 PolarHBondContact O-N 3.44Å
608G52.9Low47.4Very low71 Ų71132.2 Ų132.273%0.73281%0.805SS**PPolyproline II helixtrans-54131.417500000109.3Q606 D610Q606-G608 PolarHBondContact O-N 2.8Å; Q606-G608 VanDerWaalsContact O-N 3.16Å; G608-D610 PolarHBondContact O-N 3.39Å; G608-D610 VanDerWaalsContact O-N 3.1Å
609T44.3Very low48Very low135 Ų135130.6 Ų130.683%0.82880%0.798SS**PPolyproline II helixtrans-56.2119.9-172.454.30000110.6P607 G611P607-T609 PolarHBondContact O-N 3.44Å; T609-G611 PolarHBondContact O-N 3.41Å; T609-G611 VanDerWaalsContact O-N 3.09Å
610D51Low48.4Very low154 Ų154131 Ų13182%0.82480%0.803SS**PPolyproline II helixtrans-47.6120.6175.2-80-43.4000109.9G608 R612G608-D610 PolarHBondContact O-N 3.39Å; G608-D610 VanDerWaalsContact O-N 3.1Å; D610-R612 PolarHBondContact O-N 2.89Å; D610-R612 VanDerWaalsContact O-N 3.13Å
611G52Low48.6Very low70 Ų70131.1 Ų131.172%0.72280%0.802SS**PPolyproline II helixtrans-55.9122.1176.600000108.8T609 P613T609-G611 PolarHBondContact O-N 3.41Å; T609-G611 VanDerWaalsContact O-N 3.09Å; G611-P613 VanDerWaalsContact O-N 3.08Å
612R44.5Very low49Very low242 Ų242137.2 Ų137.291%0.91381%0.81SS**  trans-36.3116.6-172.9-86.9-174.1171.4-175.2-1.4110.8D610 G614D610-R612 PolarHBondContact O-N 2.89Å; D610-R612 VanDerWaalsContact O-N 3.13Å; R612-G614 PolarHBondContact O-N 3.14Å; R612-G614 VanDerWaalsContact O-N 3.07Å
613P54Low49.4Very low116 Ų116136.3 Ų136.375%0.75380%0.801SS**  trans-50.4121.9176-29.835.8000109.8G611 L615G611-P613 VanDerWaalsContact O-N 3.08Å; P613-L615 PolarHBondContact O-N 3.08Å
614G53Low49.9Very low71 Ų71133.7 Ų133.773%0.73279%0.794SS**  trans-52.3134.2-178.700000109.7R612 R616R612-G614 PolarHBondContact O-N 3.14Å; R612-G614 VanDerWaalsContact O-N 3.07Å; G614-R616 PolarHBondContact O-N 2.78Å
615L41.6Very low50.4Low176 Ų176133.8 Ų133.892%0.92180%0.795SS**  trans-47.4106.9-171.8-76.3171.8000110.3P613 G617P613-L615 PolarHBondContact O-N 3.08Å; L615-G617 PolarHBondContact O-N 2.97Å
616R47.3Very low50.2Low237 Ų237133.9 Ų133.989%0.89480%0.795SS**  trans-57.7112.3-179.5-175.5178.2-174.6173.43.7107.3G614 Q618G614-R616 PolarHBondContact O-N 2.78Å; R616-Q618 PolarHBondContact O-N 3.49Å
617G53.7Low50Low61 Ų61132.6 Ų132.663%0.62979%0.794SS**PPolyproline II helixtrans-48.7134.9-177.300000110.2L615L615-G617 PolarHBondContact O-N 2.97Å
618Q44.3Very low49.8Very low186 Ų186132.1 Ų132.187%0.86979%0.791SS**PPolyproline II helixtrans-50128.2-176.9-72.8-175.8-12.100109.3R616 G620R616-Q618 PolarHBondContact O-N 3.49Å; Q618-G620 PolarHBondContact O-N 3.27Å
619P53.8Low49.5Very low117 Ų117132 Ų13276%0.7679%0.789SS**PPolyproline II helixtrans-53.3117.5170.8-2534.4000108.3L621P619-L621 PolarHBondContact O-N 3.04Å
620G50.9Low48.9Very low72 Ų72132.4 Ų132.474%0.74279%0.791SS**PPolyproline II helixtrans-51.9131.5-176.600000109.8Q618 R622Q618-G620 PolarHBondContact O-N 3.27Å; G620-R622 PolarHBondContact O-N 2.9Å
621L45.6Very low48.3Very low174 Ų174131.4 Ų131.491%0.91179%0.79SS**  trans-49.1114.3-174.8-74.2171.3000109.6P619 G623P619-L621 PolarHBondContact O-N 3.04Å; L621-G623 PolarHBondContact O-N 3.39Å
622R56.1Low47.6Very low247 Ų247136.9 Ų136.993%0.93279%0.794SS**  trans-55.5113.7175.3-178.3179.5-177176.42.3107G620G620-R622 PolarHBondContact O-N 2.9Å
623G54.6Low47.3Very low53 Ų53131.3 Ų131.355%0.54679%0.787SS.*PPolyproline II helixtrans-50.7141.1-175.200000110.9L621L621-G623 PolarHBondContact O-N 3.39Å
624P51.7Low46.4Very low118 Ų118134 Ų13477%0.76679%0.79SS**PPolyproline II helixtrans-55.2138.3-178.824-33.7000109.4G626P624-G626 PolarHBondContact O-N 3.4Å
625P59.5Low45.9Very low124 Ų124136.4 Ų136.481%0.80579%0.792SS**PPolyproline II helixtrans-50.5131.3172.8-26.534.8000109.9L627P625-L627 PolarHBondContact O-N 2.89Å
626G46.1Very low45.6Very low69 Ų69133.5 Ų133.571%0.71179%0.787SS**PPolyproline II helixtrans-53.3131.2-178.100000110.7P624 P628P624-G626 PolarHBondContact O-N 3.4Å; G626-P628 WeakPolarHBondContact O-CD 3.26Å
627L42.2Very low45.3Very low166 Ų166128.4 Ų128.487%0.86978%0.782SS**PPolyproline II helixtrans-53.3124.5-179.6-77.2164.9000109.9P625 G629P625-L627 PolarHBondContact O-N 2.89Å; L627-G629 PolarHBondContact O-N 3.43Å
628P47.2Very low44.5Very low116 Ų116133.7 Ų133.775%0.75379%0.794SS**PPolyproline II helixtrans-54.3132.3169.1-25.735.3000109.9G626 V630G626-P628 WeakPolarHBondContact O-CD 3.26Å; P628-V630 PolarHBondContact O-N 3.25Å
629G45.3Very low44.3Very low67 Ų67128.5 Ų128.569%0.69179%0.79SS**PPolyproline II helixtrans-56.2128.5-173.300000112.3L627 V631L627-G629 PolarHBondContact O-N 3.43Å; G629-V631 PolarHBondContact O-N 3.09Å
630V32.6Very low43.7Very low144 Ų144127 Ų12787%0.87380%0.796SS**  trans-73.998.5-179.9-179.40000109.6P628P628-V630 PolarHBondContact O-N 3.25Å
631V39.1Very low43.2Very low133 Ų133130.5 Ų130.581%0.80680%0.803SS**  trans-115.8101.3176.6-171.20000109.5G629G629-V631 PolarHBondContact O-N 3.09Å
632K37.2Very low42.9Very low185 Ų185125.8 Ų125.880%0.80480%0.797SS**  trans-60149.6154-58.7173.8174.6175.90106.9
633V37.3Very low42.2Very low125 Ų125122.3 Ų122.376%0.75880%0.796SS**  cis-151.7175.545177.70000109.5
634Q35.9Very low41.7Very low173 Ų173125.6 Ų125.681%0.80881%0.807SS**  trans-49.3152.5166-63.7149.2-42.300113.3
635P42.1Very low41.2Very low122 Ų122123.7 Ų123.779%0.79281%0.809SS**  trans-86.7142-176.734-35.2000114.2
636S36Very low40.5Very low115 Ų115126.3 Ų126.380%0.80482%0.817SS**  trans-172.5140.2135.3-82.10000113.8
637T40Very low40.4Very low129 Ų129134.6 Ų134.679%0.79183%0.826SS**  trans64.587.4160.521.80000121.1
638I37.2Very low40.3Very low173 Ų173129.6 Ų129.689%0.88782%0.815SS**  38.7122.3120.7-54.1168.3000119.2
639G40.3Very low39.8Very low76 Ų76131.8 Ų131.878%0.78482%0.821SS**  trans161.2117.5149.700000116.4
640G39.9Very low40Very low85 Ų85134.5 Ų134.588%0.87683%0.826SS**  trans108.4127.4163.200000116.5
641T40.8Very low40.4Very low146 Ų146130.9 Ų130.990%0.89682%0.818SS**  trans-121.8133.2179.247.20000112.4
642G39.8Very low40.5Very low75 Ų75130.3 Ų130.377%0.77382%0.82SS**  trans105.5120.9151.600000117.2
643L40.9Very low41.2Very low175 Ų175132.5 Ų132.592%0.91682%0.824SS**  -164.7146105.9-96.4171.1000109.5
644P44Very low42Very low122 Ų122129.3 Ų129.379%0.79282%0.817SS**  trans-107.3127-173.636.4-28.8000114.9
645G41.6Very low42.5Very low78 Ų78127.2 Ų127.280%0.80482%0.819SS**  trans92.2139.7143.700000118.3
646D44.7Very low43.1Very low179 Ų179128 Ų12896%0.95782%0.821SS**  trans-132.4148.3150.7-119.2-37.6000108
647R43.5Very low43.9Very low242 Ų242125.4 Ų125.491%0.91381%0.813SS**  trans-138.7103.1-164.9-177.8-174178.4179.20.3113.1
648G41Very low44Very low62 Ų62128.1 Ų128.164%0.63982%0.817SS**  trans178.7146.9167.600000111.2
649N37Very low45.2Very low162 Ų162126 Ų12687%0.86681%0.814SS**  cis-124145.53.2-70.6-31000111.3
650P48.5Very low45.9Very low124 Ų124125.2 Ų125.281%0.80581%0.806SS**  trans-78.3130.1170.8-7.424.9000112
651G41.2Very low46.5Very low68 Ų68127.5 Ų127.570%0.70181%0.805SS**  trans74.9117.715000000118.7
652S42.6Very low47.1Very low121 Ų121130.3 Ų130.385%0.84681%0.805SS**PPolyproline II helix-94.9134.6123.350.20000107.7
653Y51.5Low47.5Very low230 Ų230129.9 Ų129.990%0.90280%0.801SS**PPolyproline II helixtrans-70.7137.1172.9-77.1-103.9000108.7
654G52.7Low47.7Very low59 Ų59127.1 Ų127.161%0.60880%0.796SS**PPolyproline II helixtrans-62150.316800000110.2T656G654-T656 PolarHBondContact O-N 2.88Å
655P47.6Very low47.8Very low129 Ų129126 Ų12684%0.83880%0.797SS**PPolyproline II helixtrans-56.7127.2172.925.3-33.4000109G657P655-G657 PolarHBondContact O-N 2.61Å
656T53.4Low48Very low138 Ų138125.7 Ų125.785%0.84779%0.794SS**PPolyproline II helixtrans-53.2123175.9-52.10000108.7G654G654-T656 PolarHBondContact O-N 2.88Å
657G53.2Low47.7Very low61 Ų61126.4 Ų126.463%0.62979%0.792SS**PPolyproline II helixtrans-56.9142.6177.600000110.7P655P655-G657 PolarHBondContact O-N 2.61Å
658E43.4Very low47.8Very low186 Ų186126.4 Ų126.487%0.86979%0.792SS**PPolyproline II helixtrans-53.7130.7176.4-66-166.9132.200109.6G660E658-G660 PolarHBondContact O-N 3Å
659P61.6Low47.9Very low127 Ų127126.2 Ų126.283%0.82579%0.79SS**PPolyproline II helixtrans-56.2119175.5-25.434.7000109.6
660G54.1Low48.2Very low61 Ų61126.6 Ų126.663%0.62979%0.79SS**PPolyproline II helixtrans-52.5140.6178.200000110.4E658 K662E658-G660 PolarHBondContact O-N 3Å; G660-K662 PolarHBondContact O-N 3.02Å
661P52.9Low48.1Very low132 Ų132127.3 Ų127.386%0.85779%0.793SS**PPolyproline II helixtrans-53.6118.6-171.820.1-32.4000110.2G663P661-G663 PolarHBondContact O-N 3.4Å; P661-G663 VanDerWaalsContact O-N 3.13Å
662K53.5Low48.6Very low205 Ų205127.2 Ų127.289%0.89179%0.792SS**PPolyproline II helixtrans-52.7119.4-175.6177.2-178.4176.5-176.90109.3G660 S664G660-K662 PolarHBondContact O-N 3.02Å; K662-S664 PolarHBondContact O-N 2.89Å
663G49.7Very low48.6Very low66 Ų66128.9 Ų128.968%0.6879%0.791SS**PPolyproline II helixtrans-52.1128-178.500000111.7P661 A665P661-G663 PolarHBondContact O-N 3.4Å; P661-G663 VanDerWaalsContact O-N 3.13Å; G663-A665 PolarHBondContact O-N 3.2Å
664S43.9Very low48.9Very low117 Ų117123.7 Ų123.782%0.81879%0.786SS**PPolyproline II helixtrans-60.2129.3167.947.40000108.9K662 G666K662-S664 PolarHBondContact O-N 2.89Å; S664-G666 PolarHBondContact O-N 3.16Å
665A47Very low48.9Very low99 Ų99124.4 Ų124.482%0.81879%0.793SS**PPolyproline II helixtrans-60.5135178.600000110.5G663G663-A665 PolarHBondContact O-N 3.2Å
666G45Very low48.9Very low72 Ų72125.7 Ų125.774%0.74279%0.793SS**PPolyproline II helixtrans-76.8126.516800000109.8S664S664-G666 PolarHBondContact O-N 3.16Å
667E38.4Very low49Very low194 Ų194125.1 Ų125.191%0.90779%0.792SS**  trans172.6109.9135.7-98.8-171.6155.400111.8
668R46.5Very low49.1Very low241 Ų241125.7 Ų125.791%0.90980%0.797SS**  -161.7133.1122.8-167.5163.3-64.7-162.20.5109.6
669G41.7Very low49.2Very low58 Ų58124.8 Ų124.860%0.59880%0.798SS**  trans-78.6148.4171.200000112.5
670I43.6Very low48.5Very low170 Ų170130.1 Ų130.187%0.87280%0.802SS**  trans48.1106.3158.754.6168.5000119.3
671T46.9Very low48.5Very low140 Ų140130.3 Ų130.386%0.85980%0.804SS**  -138.2132.8126-640000106
672G50.9Low48.1Very low66 Ų66132.3 Ų132.368%0.6881%0.806SS**PPolyproline II helixtrans-74.1141.2-178.300000111.3
673D43.8Very low48Very low155 Ų155128.1 Ų128.183%0.82980%0.803SS**PPolyproline II helixtrans-62.5142.9174.5-67.2-65.6000111G675D673-G675 PolarHBondContact O-N 2.82Å
674P56.9Low48.5Very low122 Ų122127.8 Ų127.879%0.79280%0.799SS**PPolyproline II helixtrans-59.6132174.3-2233.5000110.8
675G53.3Low49.1Very low74 Ų74128 Ų12876%0.76380%0.798SS**PPolyproline II helixtrans-58.8141.3-179.400000112.7D673D673-G675 PolarHBondContact O-N 2.82Å
676D46.4Very low49.6Very low155 Ų155129.4 Ų129.483%0.82980%0.798SS**PPolyproline II helixtrans-53.5140.3-178.1-70.7-67.2000112.2G678D676-G678 PolarHBondContact O-N 3.19Å
677P57.2Low50.4Low127 Ų127129 Ų12983%0.82579%0.794SS**  trans-57.8114.9176.3-24.134.3000110.9D679P677-D679 PolarHBondContact O-N 3.15Å
678G54.8Low51.2Low72 Ų72125.4 Ų125.474%0.74279%0.788SS**  trans-52.7137.9-171.400000113.5D676 R680D676-G678 PolarHBondContact O-N 3.19Å; G678-R680 PolarHBondContact O-N 3.24Å
679D44.3Very low51.6Low167 Ų167120 Ų12089%0.89378%0.784SS**  trans-47.2128.5-173.5-87.6-52.4000112.4P677 G681P677-D679 PolarHBondContact O-N 3.15Å; D679-G681 PolarHBondContact O-N 3.05Å
680R48.6Very low52.5Low240 Ų240120.5 Ų120.591%0.90679%0.789SS**  trans-63.997.9-177.1-177.8180-178160.71.8109.4G678 L682G678-R680 PolarHBondContact O-N 3.24Å; R680-L682 PolarHBondContact O-N 3.35Å
681G53.9Low52.9Low65 Ų65118.5 Ų118.567%0.6779%0.787SS**  trans-45.6129.6-178.500000112D679 S683D679-G681 PolarHBondContact O-N 3.05Å; G681-S683 PolarHBondContact O-N 2.94Å
682L44Very low53.3Low174 Ų174119.6 Ų119.691%0.91179%0.788SS**  trans-54.5123.1178-69.3169.9000108.7R680 G684R680-L682 PolarHBondContact O-N 3.35Å; L682-G684 PolarHBondContact O-N 3.14Å
683S51.4Low53.2Low117 Ų117120.1 Ų120.182%0.81879%0.792SS**  trans-56.8114.9178.950.60000109.2G681G681-S683 PolarHBondContact O-N 2.94Å
684G60.3Low53.1Low58 Ų58121.9 Ų121.960%0.59880%0.796SS**PPolyproline II helixtrans-56.5153.1-17700000112.2L682L682-G684 PolarHBondContact O-N 3.14Å
685P57.2Low53Low122 Ų122122.4 Ų122.479%0.79280%0.799SS**PPolyproline II helixtrans-56.4140.4174.825.9-34.2000109.6G687P685-G687 PolarHBondContact O-N 2.8Å
686P57.2Low52.7Low128 Ų128121.9 Ų121.983%0.83179%0.794SS**PPolyproline II helixtrans-52.8127.1173.4-26.234.9000110.2
687G60.2Low52.7Low63 Ų63120.5 Ų120.565%0.64979%0.791SS**PPolyproline II helixtrans-60.6143.7-178.400000111.4P685P685-G687 PolarHBondContact O-N 2.8Å
688P56.9Low52.1Low120 Ų120122 Ų12278%0.77979%0.791SS**PPolyproline II helixtrans-60.3144.8171.627.7-34.3000109.7G690P688-G690 PolarHBondContact O-N 3.11Å
689P54.5Low51.5Low128 Ų128121.9 Ų121.983%0.83179%0.791SS**PPolyproline II helixtrans-54134.2170.9-25.234.9000110.8
690G60.8Low51.3Low67 Ų67123 Ų12369%0.69179%0.79SS**PPolyproline II helixtrans-67.6143.7-18000000111.9P688P688-G690 PolarHBondContact O-N 3.11Å
691P52.2Low51.4Low128 Ų128120.1 Ų120.183%0.83179%0.793SS**PPolyproline II helixtrans-70149171.230.9-34.6000111
692D54Low51.1Low164 Ų164120 Ų12088%0.87779%0.792SS**PPolyproline II helixtrans-62.3142.7176.9-72.2-54.1000112.4
693G48.9Very low51.3Low76 Ų76117.8 Ų117.878%0.78479%0.788SS**PPolyproline II helixtrans-72.9132.8-172.800000114.3
694Q41.3Very low51.1Low193 Ų193120.3 Ų120.390%0.90279%0.792SS**PPolyproline II helixtrans-78.8135.8173.2-69.2177.4-31.300111.9
695P56.5Low50.5Low133 Ų133120.7 Ų120.786%0.86480%0.796SS**PPolyproline II helixtrans-87.1136.2166.6-6.324.8000112.4
696G46.6Very low49.7Very low63 Ų63120 Ų12065%0.64979%0.794SS**  113.528.212100000122.6
697V46.6Very low49.6Very low125 Ų125119.9 Ų119.976%0.75879%0.793SS**  trans57.5160.1143.2-55.30000122.3
698D44.6Very low49.2Very low158 Ų158119.9 Ų119.985%0.84579%0.793SS**  trans61140.6163-47.1-29000118.7
699G42.1Very low48.5Very low70 Ų70122 Ų12272%0.72280%0.798SS**  cis160.8154.7-1.900000109.5
700E40.5Very low48.3Very low191 Ų191123.8 Ų123.889%0.89380%0.8SS**  cis-152.5145.7-4.2-60.8-17880.800108.5
701D49.2Very low48.2Very low180 Ų180123.2 Ų123.296%0.96380%0.795SS**  trans-166156.3161.4-115.4-21.6000111.8
702G48.6Very low48.1Very low62 Ų62122.7 Ų122.764%0.63979%0.791SS**  trans-174.1-173.2177.600000113.1
703P48.1Very low48.4Very low128 Ų128120.8 Ų120.883%0.83179%0.788SS**  cis-128.197.64.635.8-16.2000112.4G705P703-G705 PolarHBondContact O-N 3.4Å
704D47.7Very low48.8Very low170 Ų170120.1 Ų120.191%0.90978%0.781SS**PPolyproline II helixtrans-71.1116.5176.8-79.1-26.9000111.2
705G47.5Very low49.3Very low65 Ų65116.5 Ų116.567%0.6777%0.774SS**PPolyproline II helixtrans-62.3143.1168.800000110.1P703P703-G705 PolarHBondContact O-N 3.4Å
706S40.6Very low49.5Very low108 Ų108116.1 Ų116.176%0.75577%0.772SS**PPolyproline II helixtrans-46.1124.1177.552.80000110.7G708S706-G708 PolarHBondContact O-N 3.25Å
707P54.9Low49.8Very low126 Ų126116 Ų11682%0.81877%0.771SS**PPolyproline II helixtrans-50.6118.3166.1-25.234.5000107.7D709P707-D709 PolarHBondContact O-N 2.88Å
708G50.9Low49.9Very low63 Ų63116.1 Ų116.165%0.64977%0.774SS**PPolyproline II helixtrans-60.2137.5175.900000108.3S706 D710S706-G708 PolarHBondContact O-N 3.25Å; G708-D710 PolarHBondContact O-N 2.76Å; G708-D710 VanDerWaalsContact O-N 3.13Å
709D42.9Very low50.1Low164 Ų164118 Ų11888%0.87778%0.775SS**  trans-41.5121.1-174.2-63.3-70.7000110.8P707 G711P707-D709 PolarHBondContact O-N 2.88Å; D709-G711 PolarHBondContact O-N 2.76Å
710D50.6Low50.4Low165 Ų165117.2 Ų117.288%0.88277%0.767SS**  trans-53106.8-176.7-96.4-45.3000108.9G708G708-D710 PolarHBondContact O-N 2.76Å; G708-D710 VanDerWaalsContact O-N 3.13Å
711G57.2Low50.5Low55 Ų55114.3 Ų114.357%0.56775%0.753SS**  trans-55132.1-176.400000108.7D709 P713D709-G711 PolarHBondContact O-N 2.76Å; G711-P713 VanDerWaalsContact O-N 3.13Å
712P50.9Low50.8Low117 Ų117111.5 Ų111.576%0.7675%0.745SS**  trans-50.2125-16919.3-32.9000109.3G714P712-G714 PolarHBondContact O-N 3.06Å
713P60.8Low51Low125 Ų125111.3 Ų111.381%0.81274%0.743SS**  trans-45.2116.2-165.4-34.535.6000111.5G711G711-P713 VanDerWaalsContact O-N 3.13Å
714G55.8Low50.9Low61 Ų61111.5 Ų111.563%0.62974%0.744SS**  trans-50.3132-169.200000110.1P712P712-G714 PolarHBondContact O-N 3.06Å
715P52.3Low50.9Low117 Ų117108.2 Ų108.276%0.7674%0.74SS**  trans-51.9129.9-171.121-33.3000108.9G717P715-G717 PolarHBondContact O-N 3.18Å
716P60.4Low50.9Low126 Ų126108.1 Ų108.182%0.81874%0.74SS**  trans-45.5116.4-170.2-32.935.7000110.8
717G53Low50.9Low61 Ų61112.7 Ų112.763%0.62975%0.749SS**PPolyproline II helixtrans-51.5134.1-16800000110.1P715 F719P715-G717 PolarHBondContact O-N 3.18Å; G717-F719 PolarHBondContact O-N 2.88Å
718P49.6Very low50.5Low127 Ų127116 Ų11683%0.82575%0.754SS**PPolyproline II helixtrans-52.8118-172.321.9-33.5000108.4G720P718-G720 PolarHBondContact O-N 3.32Å
719F48.7Very low50.4Low197 Ų197115.6 Ų115.686%0.86475%0.75SS**PPolyproline II helixtrans-52.4116.5-168.1-161.5-80.4000108G717 E721G717-F719 PolarHBondContact O-N 2.88Å; F719-E721 PolarHBondContact O-N 3.41Å
720G48.4Very low50.3Low54 Ų54114.2 Ų114.256%0.55775%0.75SS**PPolyproline II helixtrans-53.7131-168.200000109.5P718 P722P718-G720 PolarHBondContact O-N 3.32Å; G720-P722 WeakPolarHBondContact O-CD 3.47Å; G720-P722 VanDerWaalsContact O-N 3.12Å
721E42.4Very low50.3Low130 Ų130115.5 Ų115.561%0.60775%0.75SS**PPolyproline II helixtrans-48.1126.5172.6-83.1-174.4174.800107.9K561 F719 G723K561-E721 VanDerWaalsContact CD-OE1 3.3Å; K561-E721 WeakPolarHBondContact CD-OE1 3.37Å; K561-E721 WeakPolarHBondContact CE-OE1 3.5Å; K561-E721 WeakPolarHBondContact CE-OE2 3.42Å; K561-E721 IonicContact NZ-OE1 3.63Å; K561-E721 PolarHBondContact NZ-OE1 3.39Å; K561-E721 IonicContact NZ-OE2 2.66Å; K561-E721 PolarHBondContact NZ-OE2 2.83Å; F719-E721 PolarHBondContact O-N 3.41Å; E721-G723 PolarHBondContact O-N 2.88Å
722P55.9Low50.1Low121 Ų121115.6 Ų115.679%0.78675%0.752SS**  trans-51.6114.2173-27.435.6000108G720G720-P722 WeakPolarHBondContact O-CD 3.47Å; G720-P722 VanDerWaalsContact O-N 3.12Å
723G52.4Low49.6Very low58 Ų58116.5 Ų116.560%0.59876%0.758SS**  trans-53.8144.9-176.200000109.6E721 A725E721-G723 PolarHBondContact O-N 2.88Å; G723-A725 PolarHBondContact O-N 3.2Å
724P46.4Very low49Very low131 Ų131116.5 Ų116.585%0.85176%0.761SS**  trans-51.6117.3-177.822.4-33.5000108.4G726P724-G726 PolarHBondContact O-N 2.85Å
725A47.4Very low48.4Very low101 Ų101117 Ų11784%0.83577%0.766SS**  trans-58.6112.8-173.900000107.9G723G723-A725 PolarHBondContact O-N 3.2Å
726G48.6Very low47.6Very low64 Ų64118.9 Ų118.966%0.6677%0.769SS**  trans-59152.3-173.200000111.2P724 Q728P724-G726 PolarHBondContact O-N 2.85Å; G726-Q728 VanDerWaalsContact C-N 3.26Å; G726-Q728 PolarHBondContact O-N 3.27Å
727E38.9Very low46.6Very low203 Ų203122.7 Ų122.795%0.94977%0.773SS**  trans-62.586.2176.7-63.7-172.1134.400110.3G729E727-G729 PolarHBondContact O-N 3.38Å
728Q46.6Very low46.2Very low195 Ų195123.2 Ų123.291%0.91178%0.779SS**  trans-73.1113.9180-168.9165.60.300108.6G726G726-Q728 VanDerWaalsContact C-N 3.26Å; G726-Q728 PolarHBondContact O-N 3.27Å
729G49.1Very low45.6Very low55 Ų55121.8 Ų121.857%0.56778%0.777SS**  trans-63.9175.2-164.100000116.3E727 Q731E727-G729 PolarHBondContact O-N 3.38Å; G729-Q731 PolarHBondContact O-N 3.4Å
730P41Very low45.4Very low135 Ų135121.3 Ų121.388%0.87778%0.78SS**PPolyproline II helixtrans-57.2137.1-171.623.2-34.4000113G732P730-G732 PolarHBondContact O-N 3.24Å
731Q50.8Low45.2Very low192 Ų192121.8 Ų121.890%0.89779%0.785SS**PPolyproline II helixtrans-63.7123.1-172-176.2177.514.200112.9G729G729-Q731 PolarHBondContact O-N 3.4Å
732G52.2Low45Very low58 Ų58124 Ų12460%0.59880%0.797SS**PPolyproline II helixtrans-74.2146.3167.700000112.6P730P730-G732 PolarHBondContact O-N 3.24Å
733P40.1Very low44.5Very low136 Ų136124.7 Ų124.788%0.88380%0.799SS**PPolyproline II helixtrans-75.9168.5-175.830.8-35.7000114.6
734S49.9Very low44.1Very low125 Ų125125.1 Ų125.187%0.87480%0.804SS**PPolyproline II helixtrans-78.6159.2-164.1-168.40000116.3
735G41.7Very low44Very low72 Ų72124.7 Ų124.774%0.74280%0.801SS**  trans-147.371.4-175.700000116
736N35.3Very low43.8Very low155 Ų155130.3 Ų130.383%0.82980%0.801SS**  trans29112.1151.4-62.1-26.4000122.9
737K40.8Very low43.6Very low207 Ų207130.1 Ų130.190%0.980%0.799SS**  trans13.4130.8139.1-86-179.9170.7177.40121.4
738G43.1Very low43.5Very low72 Ų72127.2 Ų127.274%0.74279%0.785SS**  -125.9134.7115.400000107.8
739A38.8Very low43.1Very low96 Ų96124.4 Ų124.479%0.79378%0.781SS**  cis77.6136.344.200000114
740M43.8Very low42.8Very low188 Ų188125.3 Ų125.393%0.92679%0.79SS**  cis-178.7143.8-21.2168.9171.566.300108.2
741G43.6Very low42.3Very low63 Ų63126.3 Ų126.365%0.64978%0.783SS**  trans138.8145.4156.700000115
742M38.7Very low41.7Very low177 Ų177122.9 Ų122.987%0.87276%0.762SS**  cis-143.8128.7-9.7-63.4178.767.900106.9
743T44.8Very low41Very low136 Ų136123 Ų12383%0.83476%0.763SS**  53.1121.591.1-41.60000113
744G44.2Very low41.1Very low67 Ų67118.7 Ų118.769%0.69174%0.739SS**  cis168.7-152.64.100000108.2
745P45.3Very low41.3Very low121 Ų121117 Ų11779%0.78673%0.725SS**  cis-142.3171.9-19.343.5-27.1000115.7
746R43.4Very low41Very low220 Ų220117.1 Ų117.183%0.8373%0.726SS**  trans69.7146.9145.8-152166.5-148.8155.716.6119.8E748R746-E748 IonicContact CZ-OE2 3.56Å; R746-E748 IonicContact NE-OE2 2.83Å; R746-E748 PolarHBondContact NE-OE2 2.82Å; R746-E748 IonicContact NH2-OE1 2.7Å; R746-E748 IonicContact NH2-OE2 2.62Å; R746-E748 PolarHBondContact NH2-OE2 2.96Å
747G44Very low41.8Very low60 Ų60115.5 Ų115.562%0.61972%0.724SS**  cis-128.8156.3-5.400000111.6
748E36.8Very low41.8Very low142 Ų142112.8 Ų112.866%0.66473%0.725SS**  63.4134.863.7-62-177.9128.500113R746R746-E748 IonicContact CZ-OE2 3.56Å; R746-E748 IonicContact NE-OE2 2.83Å; R746-E748 PolarHBondContact NE-OE2 2.82Å; R746-E748 IonicContact NH2-OE1 2.7Å; R746-E748 IonicContact NH2-OE2 2.62Å; R746-E748 PolarHBondContact NH2-OE2 2.96Å
749T36.9Very low41.7Very low136 Ų136112.4 Ų112.483%0.83472%0.721SS**  cis-173.2149.4-9.7-88.60000106.4
750G42.9Very low41.9Very low73 Ų73112.9 Ų112.975%0.75373%0.725SS**  cis164-152.1-6.300000114.8
751Q32.1Very low42Very low156 Ų156110.6 Ų110.673%0.72972%0.722SS**  trans-61.5171.2174.7-74.9172.22300113.4
752R38.2Very low41.9Very low121 Ų121110.8 Ų110.846%0.45772%0.724SS.*  cis-169.6157.8-6.7154.3-169.4-67.9118.5-13106.5G140 P141 M142G140-R752 WeakPolarHBondContact CA-O 3.47Å; P141-R752 WeakPolarHBondContact O-CD 3Å; P141-R752 WeakPolarHBondContact O-CG 3.25Å; M142-R752 VanDerWaalsContact O-CD 3.23Å; M142-R752 WeakPolarHBondContact O-CD 3.2Å; M142-R752 PolarHBondContact O-NE 3.1Å; M142-R752 PolarHBondContact O-NH1 3.37Å
753G37.6Very low42.1Very low60 Ų60110.6 Ų110.662%0.61973%0.726SS**  trans-142115.7159.200000112.1
754A41.2Very low42Very low46 Ų46110.8 Ų110.838%0.3873%0.727SS.*  trans-163.7177.9177.100000108.9P141P141-A754 WeakPolarHBondContact CD-O 3.22Å; P141-A754 VanDerWaalsContact O-O 3.07Å
755P54.2Low41.7Very low89 Ų89110.9 Ų110.958%0.57873%0.728SS**  -117.1-174.2-6038.2-26.8000110.5M142M142-P755 HydrophobicContact CE-CG 3.59Å; M142-P755 VanDerWaalsContact SD-CD 3.51Å; M142-P755 HydrophobicContact SD-CG 4.02Å
756G36.5Very low41.8Very low74 Ų74114.8 Ų114.876%0.76374%0.736SS**  trans-150.5113.1170.200000112.3
757P51.3Low41.9Very low121 Ų121110.4 Ų110.479%0.78674%0.736SS**  trans-93.2174.817637.5-35000112.7
758T40.6Very low41.6Very low150 Ų150110.6 Ų110.692%0.9274%0.738SS**  trans117.4130.2176.5-54.40000110.4
759G41Very low41.6Very low64 Ų64112.8 Ų112.866%0.6675%0.753SS**  cis-169.3176.7-2.700000110.4
760A42.7Very low42.5Very low107 Ų107113.1 Ų113.188%0.88476%0.755SS**  trans-83.1123.8179.700000111.8
761T45.9Very low42.7Very low140 Ų140112.8 Ų112.886%0.85975%0.752SS**  trans-153.1121.6173.5-61.90000111.6
762G42.1Very low43Very low66 Ų66111.2 Ų111.268%0.6876%0.755SS**  trans64.811514300000120.6V764G762-V764 PolarHBondContact O-N 3.17Å
763D41.6Very low43.7Very low173 Ų173111.2 Ų111.293%0.92577%0.77SS**  trans-69.2116165.4-55.5-77.7000112.2
764V43.5Very low44.1Very low141 Ų141112 Ų11286%0.85578%0.778SS**  trans-144.4107.5167.4-176.90000111.9G762G762-V764 PolarHBondContact O-N 3.17Å
765G38.8Very low43.8Very low68 Ų68117.3 Ų117.370%0.70180%0.8SS**  trans77.6113.6144.500000119.9P767G765-P767 WeakPolarHBondContact O-CD 3.49Å
766E45.6Very low43Very low204 Ų204119.8 Ų119.895%0.95381%0.808SS**  trans-75.9119.7150.9-70.6-164.8121.100110
767P46.9Very low43.4Very low128 Ų128120.1 Ų120.183%0.83181%0.811SS**  -144.6148.7122.435.5-21.4000112.8G765G765-P767 WeakPolarHBondContact O-CD 3.49Å
768G37.9Very low42.7Very low64 Ų64120.7 Ų120.766%0.6681%0.808SS**  cis-173.2174.2-1.500000111.3T770G768-T770 PolarHBondContact O-N 3.45Å
769L36.2Very low42.9Very low188 Ų188119.9 Ų119.998%0.98480%0.796SS**PPolyproline II helixtrans-62.9123.1-171.6-65.6169.2000113.1
770T56.3Low43.1Very low142 Ų142119.9 Ų119.987%0.87180%0.797SS**PPolyproline II helixtrans-103.8126.2172-60.40000109.8G768G768-T770 PolarHBondContact O-N 3.45Å
771G45.7Very low43Very low67 Ų67121.3 Ų121.369%0.69178%0.779SS**PPolyproline II helixtrans-83.3158-17000000115.9
772P38.5Very low43Very low123 Ų123120 Ų12080%0.79976%0.761SS**  trans-97175.7174.942.2-37.6000111.9
773P53.6Low43.1Very low120 Ų120120 Ų12078%0.77976%0.762SS**  -131.5178.4-61.338.4-22.9000111.9
774G45Very low43Very low76 Ų76116 Ų11678%0.78475%0.745SS**  trans-107.2142.9169.500000112.6
775L35.4Very low43.1Very low159 Ų159115.8 Ų115.883%0.83275%0.745SS**  trans-120.9149.1-178.2-91.8173.2000114.1
776N38.3Very low43.1Very low141 Ų141116.1 Ų116.175%0.75475%0.748SS**  trans68.9118.3163.6-74-4.3000121.1
777G44.1Very low42.6Very low80 Ų80114.3 Ų114.383%0.82574%0.739SS**  trans-145.2134.1145.300000107.8
778N36.7Very low42.4Very low133 Ų133119.1 Ų119.171%0.71174%0.741SS**  trans-121.5137.8-155.7-118-25.1000115.6
779I46.1Very low42.4Very low133 Ų133119.3 Ų119.368%0.68274%0.743SS**  trans73.2123.3153.3-60168.7000119.7
780G44.7Very low42.3Very low65 Ų65119.3 Ų119.367%0.6774%0.738SS**  trans-153.7132148.400000109.2
781R40.2Very low42.1Very low137 Ų137119.1 Ų119.152%0.51774%0.739SS.*  trans-114.8115.6-164.5-81.8-173.5170.6-1608116.3S406S406-R781 WeakPolarHBondContact CB-O 3.31Å; S406-R781 WeakPolarHBondContact O-CD 3.38Å; S406-R781 PolarHBondContact O-NH1 3.23Å; S406-R781 PolarHBondContact OG-O 3.02Å
782K45.2Very low42Very low111 Ų111119.3 Ų119.348%0.48374%0.741SS.*  trans57.9138.2138.1-159.4-167.4-171.8-165.20120.4S406 P784S406-K782 PolarHBondContact OG-O 3.33Å; K782-P784 HydrophobicContact CD-CB 4.45Å
783G44.9Very low41.8Very low67 Ų67120.4 Ų120.469%0.69175%0.745SS**  trans-125.1152145.600000110.5
784P40.3Very low41.3Very low89 Ų89126.5 Ų126.558%0.57875%0.752SS**  trans-128.1142-155.637.4-20.6000119K782K782-P784 HydrophobicContact CD-CB 4.45Å
785T44.5Very low41.5Very low137 Ų137125.9 Ų125.984%0.8475%0.746SS**  trans67133.8143.1-510000120.7
786G39.3Very low41.5Very low74 Ų74128.1 Ų128.176%0.76375%0.749SS**  trans-173.964.217100000117.8
787Q34.4Very low41.6Very low166 Ų166129.4 Ų129.478%0.77675%0.751SS**  trans-148.9152.7158.8-74.7-161.430.700107.6
788R43.2Very low41.8Very low229 Ų229128.7 Ų128.786%0.86474%0.744SS**  cis-152.4157.18.9-131.7-179.6-160.3-150.12.9105.8
789G38.2Very low41.8Very low68 Ų68129.1 Ų129.170%0.70175%0.746SS**  cis163.9178.4200000108.1
790Q33.6Very low41.8Very low189 Ų189127.6 Ų127.688%0.88375%0.753SS**  trans-116.7145.8169.4-75.2-175.3-10.600111G792Q790-G792 PolarHBondContact O-N 3.02Å
791P53.1Low41.7Very low138 Ų138127.8 Ų127.890%0.89676%0.755SS**  trans-74.3122.1176.2-12.929.2000111.5
792G42.1Very low41.5Very low71 Ų71130.3 Ų130.373%0.73277%0.773SS**  trans-111.7117.1178.300000112.6Q790Q790-G792 PolarHBondContact O-N 3.02Å
793V34.4Very low41.7Very low145 Ų145131 Ų13188%0.87979%0.789SS**  trans7.6138.2162.8-740000121.2G795V793-G795 PolarHBondContact O-N 2.76Å
794R42.9Very low41.8Very low248 Ų248131.3 Ų131.394%0.93679%0.791SS**  trans-54.4104.9167.2178.1-177.3-179.1-177.91.3111.8
795G49.7Very low41.6Very low64 Ų64136.8 Ų136.866%0.6681%0.806SS**PPolyproline II helixtrans-63152162.100000111.5V793V793-G795 PolarHBondContact O-N 2.76Å
796K35.2Very low41.4Very low206 Ų206136.8 Ų136.890%0.89681%0.806SS**PPolyproline II helixtrans-77156.1179.8-64.6-176.5-179-179.40111.2
797Q41.3Very low41.7Very low167 Ų167136.2 Ų136.278%0.7880%0.8SS**PPolyproline II helixtrans-57.7139.1173.5173.9179.2-37.900110.8D799Q797-D799 PolarHBondContact NE2-OD1 3.01Å
798G47.9Very low41.7Very low66 Ų66137.6 Ų137.668%0.6881%0.807SS**  trans-119.2145.4157.700000108.1A800G798-A800 PolarHBondContact O-N 2.91Å
799D36.6Very low41.6Very low142 Ų142131.3 Ų131.376%0.75980%0.804SS**  trans-76128.2-162.7-54.5-61.2000112.9Q797Q797-D799 PolarHBondContact NE2-OD1 3.01Å
800A45.3Very low41.9Very low101 Ų101130.8 Ų130.884%0.83580%0.799SS**  trans-80.5129168.200000108.6G798G798-A800 PolarHBondContact O-N 2.91Å
801G42.7Very low42.2Very low69 Ų69127.9 Ų127.971%0.71180%0.796SS**  trans-67177.6-173.700000114.6
802E35.9Very low41.6Very low190 Ų190129.2 Ų129.289%0.88879%0.79SS**SBendtrans-46.5137.8177.8-64.2-172.9121.300111.8G804E802-G804 PolarHBondContact O-N 3.06Å
803P49.8Very low41.4Very low126 Ų126128.7 Ų128.782%0.81878%0.784SS**  trans-54.9108.6173.7-26.235.2000110.6K805P803-K805 PolarHBondContact O-N 2.98Å; P803-K805 VanDerWaalsContact O-N 3.09Å
804G47Very low41.5Very low72 Ų72132.3 Ų132.374%0.74278%0.784SS**  trans-53.8120.4171.100000108.2E802 T806E802-G804 PolarHBondContact O-N 3.06Å; G804-T806 PolarHBondContact O-N 2.85Å; G804-T806 VanDerWaalsContact O-N 3.16Å
805K37.4Very low41.5Very low204 Ų204125.8 Ų125.889%0.88777%0.773SS**  trans-42.2122.7-170.1-66.4-178.6179.6-178.50110.2P803 G807P803-K805 PolarHBondContact O-N 2.98Å; P803-K805 VanDerWaalsContact O-N 3.09Å; K805-G807 PolarHBondContact O-N 3.09Å
806T40.2Very low40.9Very low137 Ų137125.9 Ų125.984%0.8478%0.775SS**  trans-49.2108.5177.9-50.90000108.8G804 E808G804-T806 PolarHBondContact O-N 2.85Å; G804-T806 VanDerWaalsContact O-N 3.16Å; T806-E808 PolarHBondContact O-N 3.05Å
807G44Very low40.9Very low62 Ų62125.9 Ų125.964%0.63978%0.775SS**  trans-57135170.400000107.7K805 A809K805-G807 PolarHBondContact O-N 3.09Å; G807-A809 PolarHBondContact O-N 3.41Å
808E35.7Very low41Very low195 Ų195126.3 Ų126.391%0.91178%0.779SS**  trans-48.9129.5-177.3-65.8-177.7129.300109.5T806 G810T806-E808 PolarHBondContact O-N 3.05Å; E808-G810 PolarHBondContact O-N 3.45Å
809A40.5Very low40.8Very low98 Ų98125.5 Ų125.581%0.8177%0.771SS**  trans-62.2103.8-18000000108G807G807-A809 PolarHBondContact O-N 3.41Å
810G44.9Very low41.1Very low57 Ų57124.5 Ų124.559%0.58877%0.772SS**  trans-49135.2173.300000108.6E808 H812E808-G810 PolarHBondContact O-N 3.45Å; G810-H812 PolarHBondContact O-N 3.19Å; G810-H812 VanDerWaalsContact O-N 3.08Å
811P39.7Very low41.4Very low127 Ų127125.3 Ų125.383%0.82577%0.769SS**  trans-50.5122.2-166.119.9-33.3000109.3G813P811-G813 PolarHBondContact O-N 3.42Å
812H39.8Very low41.3Very low167 Ų167125.3 Ų125.377%0.77377%0.768SS**  trans-51.1106.6-167.6-172.498.3000108.9G810 Y814G810-H812 PolarHBondContact O-N 3.19Å; G810-H812 VanDerWaalsContact O-N 3.08Å; H812-Y814 PolarHBondContact O-N 2.9Å; H812-Y814 VanDerWaalsContact O-N 3.1Å
813G38.2Very low41.5Very low59 Ų59124.6 Ų124.661%0.60877%0.765SS**  trans-55.4123.8-173.500000108.1P811 P815P811-G813 PolarHBondContact O-N 3.42Å; G813-P815 VanDerWaalsContact O-N 3.15Å
814Y35.9Very low41.6Very low221 Ų221124.6 Ų124.687%0.86777%0.765SS**  trans-42.7126.7177.9-69.8-80.6000108.4H812 G816H812-Y814 PolarHBondContact O-N 2.9Å; H812-Y814 VanDerWaalsContact O-N 3.1Å; Y814-G816 WeakPolarHBondContact O-CA 3.1Å; Y814-G816 PolarHBondContact O-N 3.46Å
815P44.8Very low41.4Very low111 Ų111124.1 Ų124.172%0.72176%0.76SS**  trans-48.4107.4-178.8-30.335.8000108.7G813 F817G813-P815 VanDerWaalsContact O-N 3.15Å; P815-F817 PolarHBondContact O-N 3.47Å; P815-F817 VanDerWaalsContact O-N 3.09Å
816G36.2Very low41.7Very low67 Ų67120.8 Ų120.869%0.69176%0.759SS**  trans-56.4123.4-162.400000108.4Y814 M818Y814-G816 WeakPolarHBondContact O-CA 3.1Å; Y814-G816 PolarHBondContact O-N 3.46Å; G816-M818 PolarHBondContact O-N 3.28Å
817F35.4Very low42.3Very low205 Ų205123.5 Ų123.590%0.89976%0.763SS**  trans-41.8111.9-173.8-80.6-80.4000108.7P815 G819P815-F817 PolarHBondContact O-N 3.47Å; P815-F817 VanDerWaalsContact O-N 3.09Å; F817-G819 PolarHBondContact O-N 2.96Å
818M43.6Very low42.5Very low177 Ų177123.1 Ų123.187%0.87276%0.759SS**  trans-56.7108.6-171.6-179.7175.567.100106.7G816G816-M818 PolarHBondContact O-N 3.28Å
819G43.8Very low43Very low49 Ų49120.1 Ų120.151%0.50576%0.756SS.*PPolyproline II helixtrans-53.2139.1-16700000109.6F817 P821F817-G819 PolarHBondContact O-N 2.96Å; G819-P821 VanDerWaalsContact O-N 3.1Å
820P42.5Very low43.6Very low120 Ų120120.3 Ų120.378%0.77976%0.757SS**PPolyproline II helixtrans-49.3125.4179.621.5-32.8000107.8G822P820-G822 PolarHBondContact O-N 2.83Å
821P50.5Low44Very low119 Ų119121.1 Ų121.177%0.77377%0.766SS**PPolyproline II helixtrans-50.9117.8-175.4-29.835.8000109.3G819 E823G819-P821 VanDerWaalsContact O-N 3.1Å; P821-E823 PolarHBondContact O-N 2.98Å
822G42.4Very low44Very low68 Ų68120.8 Ų120.870%0.70177%0.767SS**PPolyproline II helixtrans-52.5134.3-169.500000110.7P820P820-G822 PolarHBondContact O-N 2.83Å
823E38.7Very low44.2Very low175 Ų175122.3 Ų122.382%0.81877%0.774SS**PPolyproline II helixtrans-49129.3-174.1-63.8-173.9138.400110.3P821 G825P821-E823 PolarHBondContact O-N 2.98Å; E823-G825 PolarHBondContact O-N 2.95Å; E823-G825 VanDerWaalsContact O-N 3.08Å
824P52.3Low44.9Very low127 Ų127122.9 Ų122.983%0.82578%0.78SS**PPolyproline II helixtrans-54.1120.8174.3-26.135000109.4
825G43.9Very low45Very low62 Ų62118 Ų11864%0.63978%0.778SS**PPolyproline II helixtrans-55145.3179.200000110.8E823 E827E823-G825 PolarHBondContact O-N 2.95Å; E823-G825 VanDerWaalsContact O-N 3.08Å; G825-E827 PolarHBondContact O-N 3.5Å
826P43Very low44.9Very low133 Ų133121.5 Ų121.586%0.86479%0.785SS**PPolyproline II helixtrans-54.9130.6-171.822-33.7000111G828P826-G828 PolarHBondContact O-N 3.09Å
827E53.5Low45.7Very low195 Ų195121 Ų12191%0.91178%0.779SS**PPolyproline II helixtrans-60.3130.6-178-168.2164.3-14500109.9G825G825-E827 PolarHBondContact O-N 3.5Å
828G47.2Very low46.1Very low54 Ų54117 Ų11756%0.55777%0.774SS**PPolyproline II helixtrans-62.8150.5-17800000111.4P826 A830P826-G828 PolarHBondContact O-N 3.09Å; G828-A830 PolarHBondContact O-N 3.38Å
829P46.2Very low46.4Very low132 Ų132114.4 Ų114.486%0.85777%0.771SS**PPolyproline II helixtrans-56130.4-179.624.4-34.2000110.4G831P829-G831 PolarHBondContact O-N 3.14Å
830A53.9Low46.9Very low101 Ų101115.7 Ų115.784%0.83578%0.784SS**PPolyproline II helixtrans-55128.9-174.500000111.5G828G828-A830 PolarHBondContact O-N 3.38Å
831G51.5Low46.7Very low75 Ų75119.6 Ų119.677%0.77379%0.792SS**PPolyproline II helixtrans-61.8138.9173.500000110.8P829P829-G831 PolarHBondContact O-N 3.14Å
832S40.2Very low46.7Very low120 Ų120122.9 Ų122.984%0.83980%0.797SS**PPolyproline II helixtrans-59.5142.4-178.749.50000112.1G834S832-G834 PolarHBondContact O-N 2.98Å; S832-G834 VanDerWaalsContact O-N 3.16Å
833E45.1Very low47.2Very low199 Ų199122.4 Ų122.493%0.9379%0.792SS**  trans-49.9115-176.4-171.7173.1-171.500112.3
834G51.5Low47.6Very low71 Ų71119.9 Ų119.973%0.73279%0.791SS**  trans-83124.8175.900000110.6S832S832-G834 PolarHBondContact O-N 2.98Å; S832-G834 VanDerWaalsContact O-N 3.16Å
835S39.1Very low47.3Very low117 Ų117119.9 Ų119.982%0.81879%0.791SS**  trans-56.8143.9-174.455.80000114.4G837S835-G837 PolarHBondContact O-N 2.91Å
836E43Very low47.4Very low185 Ų185120.7 Ų120.786%0.86480%0.799SS**  trans-43.9127.1179.6-172.3176.8-166.600114.4
837G52.6Low47.2Very low56 Ų56124.6 Ų124.658%0.57780%0.803SS**PPolyproline II helixtrans-89.9145.3170.500000111.5S835S835-G837 PolarHBondContact O-N 2.91Å
838P44.3Very low46.4Very low121 Ų121124.1 Ų124.179%0.78680%0.8SS**PPolyproline II helixtrans-67.9151.5-171.527.6-35.5000113.2
839P49.8Very low45.9Very low123 Ų123124.4 Ų124.480%0.79980%0.803SS**PPolyproline II helixtrans-56.9137.7175.7-25.735000113.2
840G53.9Low45.2Very low77 Ų77126.9 Ų126.979%0.79480%0.803SS**PPolyproline II helixtrans-72.5151.7-175.700000114.6
841E38.2Very low44.4Very low201 Ų201130 Ų13094%0.93981%0.805SS**PPolyproline II helixtrans-67.4140.9178.6-62.5-172.9131.500112.6
842Q50.2Low43.9Very low188 Ų188129.8 Ų129.888%0.87980%0.803SS**PPolyproline II helixtrans-82.9121.3176.5-173.5176.69.300110.6
843G52.4Low43.7Very low58 Ų58133.2 Ų133.260%0.59881%0.805SS**PPolyproline II helixtrans-64.7141177.600000113.1
844P47.3Very low43.9Very low123 Ų123129.7 Ų129.780%0.79980%0.797SS**PPolyproline II helixtrans-76.6134.7-176.529.9-34.6000112.6
845P47.7Very low43.6Very low127 Ų127129.2 Ų129.283%0.82579%0.792SS**PPolyproline II helixtrans-61.1138.9166.6-23.535000112
846G45.5Very low43.7Very low78 Ų78129.7 Ų129.780%0.80479%0.786SS**PPolyproline II helixtrans-75.5169.6-171.400000115.7
847K39Very low44.1Very low216 Ų216127 Ų12794%0.93978%0.781SS**  trans-121157.2167.9-68.7-174.3177.6-177.80110
848H37Very low43.8Very low184 Ų184127.6 Ų127.685%0.85279%0.787SS**  trans-118.6151.7-173.1170.583.2000111.5
849G36.6Very low43.8Very low60 Ų60129.5 Ų129.562%0.61979%0.791SS**  trans90.4138.9175.800000114.3
850E31.4Very low44Very low184 Ų184128.5 Ų128.586%0.8679%0.793SS**  cis-163.1154.6-9.8-150171.1-163.700111.3
851L35.8Very low43.6Very low168 Ų168127.7 Ų127.788%0.8879%0.785SS**  trans62.5135.4159.6-159.665000121
852G41Very low43.9Very low70 Ų70124.2 Ų124.272%0.72278%0.78SS**  trans158.6112.4168.800000111.2
853E36.1Very low44.6Very low191 Ų191121.3 Ų121.389%0.89378%0.778SS**  trans-90.4166.3-170.4-70.3-166.9114.700115.5
854V49.1Very low44.6Very low126 Ų126122 Ų12276%0.76479%0.785SS**  trans-40.6139.9-168.1179.80000117.7
855G45.1Very low44.4Very low61 Ų61127.8 Ų127.863%0.62979%0.791SS**  trans-126.7146.5148.800000110.4
856D41.3Very low45Very low127 Ų127126.4 Ų126.468%0.67979%0.79SS**  trans-76.2167.3-165.2-66.3-69.7000116.6
857V52.1Low45.3Very low127 Ų127125.3 Ų125.377%0.7778%0.779SS**  trans-60.3143.5-164.5176.20000115.9
858G47.2Very low45.6Very low69 Ų69120.9 Ų120.971%0.71177%0.772SS**  trans-116.1130.4151.400000110.8
859D43.4Very low46.3Very low161 Ų161118.1 Ų118.186%0.86177%0.771SS**  trans-69136.8-169.5-70.3-57.8000114.8
860A53.1Low46.9Very low102 Ų102118.7 Ų118.784%0.84378%0.776SS**  trans-131.765-179.200000113.8
861G46.7Very low47.3Very low61 Ų61121.9 Ų121.963%0.62978%0.78SS**  trans65.8128.8152.700000119.1
862P44.2Very low47.6Very low127 Ų127123.7 Ų123.783%0.82578%0.775SS**PPolyproline II helixtrans-63.4135.4171.427.8-33.9000110.6G864P862-G864 PolarHBondContact O-N 3.06Å
863P65.1Low47.9Very low128 Ų128123.1 Ų123.183%0.83177%0.77SS**PPolyproline II helixtrans-53.9132177.7-28.735.6000112.1R865P863-R865 PolarHBondContact O-N 3.43Å
864G53.1Low47.9Very low73 Ų73123 Ų12375%0.75377%0.769SS**PPolyproline II helixtrans-56.9136.5173.500000110.3P862 A866P862-G864 PolarHBondContact O-N 3.06Å; G864-A866 PolarHBondContact O-N 2.98Å; G864-A866 VanDerWaalsContact O-N 3.16Å
865R42.8Very low48Very low243 Ų243122.4 Ų122.492%0.91777%0.768SS**PPolyproline II helixtrans-51.4126175.8-76.1-176.9171.3-164.8-5.5109.3P863 G867P863-R865 PolarHBondContact O-N 3.43Å; R865-G867 PolarHBondContact O-N 3.12Å
866A59.9Low48.1Very low98 Ų98122.7 Ų122.781%0.8177%0.771SS**PPolyproline II helixtrans-52.9131.1165.600000108.6G864G864-A866 PolarHBondContact O-N 2.98Å; G864-A866 VanDerWaalsContact O-N 3.16Å
867G51.7Low48Very low55 Ų55126.4 Ų126.457%0.56778%0.781SS**PPolyproline II helixtrans-59.4157.5164.200000109.6R865R865-G867 PolarHBondContact O-N 3.12Å
868P44.1Very low48.1Very low124 Ų124126.2 Ų126.281%0.80578%0.783SS**PPolyproline II helixtrans-52.1131.5167.725.4-33.6000108G870P868-G870 PolarHBondContact O-N 3.12Å
869P53.6Low48.1Very low126 Ų126125.9 Ų125.982%0.81878%0.78SS**PPolyproline II helixtrans-51119.2-177.8-29.435.5000110R871P869-R871 PolarHBondContact O-N 3.18Å
870G48.6Very low48Very low71 Ų71124.5 Ų124.573%0.73278%0.779SS**PPolyproline II helixtrans-53.7128177.400000108.3P868 R872P868-G870 PolarHBondContact O-N 3.12Å; G870-R872 PolarHBondContact O-N 3.25Å
871R39.2Very low48.1Very low251 Ų251130.8 Ų130.895%0.94778%0.781SS**  trans-50.4111.7-178-78.5-174.2173.4-130.71.8107.9P869 G873P869-R871 PolarHBondContact O-N 3.18Å; R871-G873 PolarHBondContact O-N 3.35Å
872R41.9Very low48.2Very low206 Ų206130.3 Ų130.378%0.77778%0.776SS**PPolyproline II helixtrans-55.9118.1-179.1173.9177-78.5-170.9-4.7107.1G870 H874G870-R872 PolarHBondContact O-N 3.25Å; R872-H874 PolarHBondContact O-N 3.41Å
873G47Very low48.3Very low59 Ų59130 Ų13061%0.60878%0.775SS**PPolyproline II helixtrans-54.4136.9175.100000109.5R871 P875R871-G873 PolarHBondContact O-N 3.35Å; G873-P875 WeakPolarHBondContact O-CD 3.4Å
874H37.7Very low47.9Very low187 Ų187129.7 Ų129.787%0.86677%0.772SS**PPolyproline II helixtrans-57.7121.5178.9-64.189.6000108.7R872 G876R872-H874 PolarHBondContact O-N 3.41Å; H874-G876 PolarHBondContact O-N 3.15Å
875P51.3Low47.7Very low114 Ų114129.4 Ų129.474%0.7477%0.769SS**PPolyproline II helixtrans-59.5128.5173.6-22.434.2000109.2G873G873-P875 WeakPolarHBondContact O-CD 3.4Å
876G47.2Very low47.6Very low68 Ų68127.2 Ų127.270%0.70177%0.769SS**PPolyproline II helixtrans-59.4142.1178.300000111.5H874H874-G876 PolarHBondContact O-N 3.15Å
877F39Very low47.3Very low204 Ų204129.2 Ų129.290%0.89577%0.771SS**PPolyproline II helixtrans-57129177.9-70.2-80.7000110.8G879F877-G879 PolarHBondContact O-N 3.01Å
878P53.2Low47.2Very low123 Ų123129.6 Ų129.680%0.79978%0.776SS**PPolyproline II helixtrans-58.2128.9169.1-2334000109.9
879G47Very low47.1Very low63 Ų63133.1 Ų133.165%0.64978%0.778SS**PPolyproline II helixtrans-57.8147.5178.100000111.9F877 R881F877-G879 PolarHBondContact O-N 3.01Å; G879-R881 PolarHBondContact O-N 3.19Å
880P42.6Very low47.5Very low131 Ų131133.1 Ų133.185%0.85178%0.778SS**PPolyproline II helixtrans-59.1125.9-177.824.6-33.8000110.3G882P880-G882 PolarHBondContact O-N 2.95Å; P880-G882 VanDerWaalsContact O-N 3.12Å
881R54Low47.6Very low235 Ų235133.1 Ų133.189%0.88778%0.778SS**PPolyproline II helixtrans-57.7117.8173.7-179.5-179.9179.8-179.60.2108.4G879G879-R881 PolarHBondContact O-N 3.19Å
882G49.8Very low47.7Very low51 Ų51130.1 Ų130.153%0.52678%0.775SS.*PPolyproline II helixtrans-54.3152177.800000112P880P880-G882 PolarHBondContact O-N 2.95Å; P880-G882 VanDerWaalsContact O-N 3.12Å
883P45.8Very low48.8Very low121 Ų121126.5 Ų126.579%0.78678%0.778SS**PPolyproline II helixtrans-55.9141.2-178.724.5-34.3000110.3G885P883-G885 PolarHBondContact O-N 3.22Å
884P56.7Low49.2Very low121 Ų121126.7 Ų126.779%0.78678%0.78SS**PPolyproline II helixtrans-53.9125.2171.2-23.533.8000109.6
885G49.7Very low49.6Very low67 Ų67124 Ų12469%0.69178%0.779SS**PPolyproline II helixtrans-58.6145.8176.400000110.8P883 V887P883-G885 PolarHBondContact O-N 3.22Å; G885-V887 PolarHBondContact O-N 3.46Å
886E39.2Very low49.7Very low196 Ų196125.6 Ų125.692%0.91679%0.787SS**PPolyproline II helixtrans-53.4128-179-66.1-166.8147.900110.8G888E886-G888 PolarHBondContact O-N 3.22Å
887V53.5Low50.1Low140 Ų140125 Ų12585%0.84878%0.781SS**  trans-65.6112.4176.7177.40000108G885 K889G885-V887 PolarHBondContact O-N 3.46Å; V887-K889 PolarHBondContact O-N 2.98Å
888G50Low50.3Low64 Ų64121.6 Ų121.666%0.6678%0.779SS**PPolyproline II helixtrans-52.5129.117700000110.8E886E886-G888 PolarHBondContact O-N 3.22Å
889K43.3Very low50.2Low197 Ų197123.6 Ų123.686%0.85778%0.781SS**PPolyproline II helixtrans-54.6135.7-179.1-63.8-179.3-178.7177.30109.9V887 G891V887-K889 PolarHBondContact O-N 2.98Å; K889-G891 PolarHBondContact O-N 2.91Å
890P61.3Low50.3Low126 Ų126124 Ų12482%0.81879%0.785SS**PPolyproline II helixtrans-52.7131.6171.5-26.134.8000110.6
891G50.8Low50.3Low71 Ų71129.6 Ų129.673%0.73279%0.789SS**PPolyproline II helixtrans-63.7141.1179.300000111.6K889K889-G891 PolarHBondContact O-N 2.91Å
892E41.5Very low50Low189 Ų189123.3 Ų123.388%0.88379%0.787SS**PPolyproline II helixtrans-62135.9176.4-64-173.114200110.6G894E892-G894 PolarHBondContact O-N 3.46Å
893P64.5Low49.8Very low129 Ų129124.6 Ų124.684%0.83880%0.8SS**PPolyproline II helixtrans-59.5123.9175.3-24.934.9000111.7
894G55.8Low49.3Very low63 Ų63128 Ų12865%0.64981%0.809SS**PPolyproline II helixtrans-60.5146.8179.200000112.9E892E892-G894 PolarHBondContact O-N 3.46Å
895P46Very low48.8Very low132 Ų132133.9 Ų133.986%0.85782%0.815SS**PPolyproline II helixtrans-64.7139.3-176.126.5-34.7000112.1G897P895-G897 PolarHBondContact O-N 3.26Å
896V53.9Low48.6Very low147 Ų147133.6 Ų133.689%0.89181%0.812SS**PPolyproline II helixtrans-66.9120.3-177.1179.50000110.9
897G53.6Low48.6Very low56 Ų56130.8 Ų130.858%0.57781%0.811SS**PPolyproline II helixtrans-66.8149.8174.400000113.1P895P895-G897 PolarHBondContact O-N 3.26Å
898P43.3Very low48.2Very low132 Ų132136.4 Ų136.486%0.85782%0.817SS**PPolyproline II helixtrans-71149.2-171.428.7-35.6000113.7G900P898-G900 PolarHBondContact O-N 2.92Å
899I51.9Low48Very low165 Ų165136.5 Ų136.585%0.84682%0.818SS**  trans-69.3112.8-176.5-61.9172.2000111.4
900G49.1Very low47.9Very low70 Ų70132.8 Ų132.872%0.72282%0.817SS**PPolyproline II helixtrans-71140.3165.800000112P898P898-G900 PolarHBondContact O-N 2.92Å
901R43.1Very low46.9Very low249 Ų249134 Ų13494%0.9482%0.822SS**PPolyproline II helixtrans-84.9152.4-175.9-69-179.4172.9-175.7-2.7112.7
902A47.9Very low46.4Very low103 Ų103134.3 Ų134.385%0.85183%0.825SS**PPolyproline II helixtrans-72.8143.8-175.900000114.3
903G45.6Very low46.3Very low78 Ų78128.7 Ų128.780%0.80482%0.817SS**PPolyproline II helixtrans-98.6164.416600000112.4
904M35.3Very low45.3Very low194 Ų194129.6 Ų129.696%0.95682%0.82SS**PPolyproline II helixtrans-103.6158.7-159.6-71171.360.300116.5
905R46.1Very low44.7Very low243 Ų243130 Ų13092%0.91783%0.825SS**PPolyproline II helixtrans-55.4140.2-176.4175.4-170.6-175.7-168.93.2116.5
906G44.3Very low44.5Very low62 Ų62130 Ų13064%0.63982%0.822SS**  trans-115.6161.2156.500000112.7
907P39.9Very low44.3Very low136 Ų136128.6 Ų128.688%0.88382%0.816SS**  trans-96.7175.3-167.437.8-36.6000116.3
908R45.4Very low43.9Very low258 Ų258129.1 Ų129.197%0.97482%0.821SS**  trans-114.6138.1-174175.8-171.1-176.8-167.23112.7
909G44.5Very low43.8Very low67 Ų67130.5 Ų130.569%0.69182%0.821SS**  trans169.6155.1162.700000111.8
910S41.9Very low43.5Very low119 Ų119130.9 Ų130.983%0.83282%0.817SS**  cis-164.8133.5-12.748.90000112.7
911V41.1Very low43.3Very low151 Ų151130.4 Ų130.492%0.91581%0.812SS**  trans8.1133.1156.7-173.10000122.2
912G39.6Very low43.2Very low78 Ų78125 Ų12580%0.80480%0.798SS**  trans107.1147.1137.900000118.3
913G39.5Very low43.1Very low70 Ų70128.8 Ų128.872%0.72280%0.798SS**  cis156.2149.5-1300000115.3
914V44.7Very low43.2Very low148 Ų148128.2 Ų128.290%0.89779%0.791SS**  trans70.4147.6168.6-170.40000115.6V916V914-V916 HydrophobicContact CG1-CG2 3.83Å
915G41.5Very low43.3Very low72 Ų72126.8 Ų126.874%0.74279%0.787SS**  cis177.3-155.4-1.800000110
916V42.4Very low43.6Very low131 Ų131120.8 Ų120.879%0.79478%0.782SS**  cis-142.2-117.5-1.2-163.20000111.7V914V914-V916 HydrophobicContact CG1-CG2 3.83Å
917P50.4Low43.5Very low118 Ų118121.7 Ų121.777%0.76679%0.791SS**  trans-137160.8-154.445.3-24.5000122.3
918G44.7Very low43.6Very low67 Ų67119.8 Ų119.869%0.69179%0.787SS**  trans83.8161.4136.300000121.9
919N41.6Very low43.9Very low161 Ų161114 Ų11486%0.86178%0.783SS**  cis-167.2164.2-9.9-107.2-17000113.6
920K45.5Very low43.8Very low173 Ų173114.6 Ų114.675%0.75279%0.789SS**  trans73.4150.1167.2-162.1177.8-178.5-171.20116.6E922K920-E922 WeakPolarHBondContact CE-OE1 3.46Å; K920-E922 WeakPolarHBondContact CE-OE2 3.45Å; K920-E922 IonicContact NZ-OE1 2.76Å; K920-E922 IonicContact NZ-OE2 3.81Å; K920-E922 PolarHBondContact NZ-OE2 2.66Å
921G43.8Very low44.1Very low61 Ų61114.2 Ų114.263%0.62979%0.787SS**  cis164.1179.9-10.900000113.6
922E42.4Very low44.4Very low135 Ų135112 Ų11263%0.63179%0.785SS**  trans59.1157.6175.1-78.590.5-66.200119.2K920K920-E922 WeakPolarHBondContact CE-OE1 3.46Å; K920-E922 WeakPolarHBondContact CE-OE2 3.45Å; K920-E922 IonicContact NZ-OE1 2.76Å; K920-E922 IonicContact NZ-OE2 3.81Å; K920-E922 PolarHBondContact NZ-OE2 2.66Å
923Q44.5Very low44.2Very low183 Ų183111.4 Ų111.486%0.85578%0.778SS**  cis-167.1139.7-27.3172.4172.4-11.600111.6
924G47.4Very low43.9Very low65 Ų65117 Ų11767%0.6779%0.785SS**  trans92138.2161.800000117
925L38.7Very low43.9Very low165 Ų165116.7 Ų116.786%0.86478%0.784SS**  cis-134104.51.3-78.5173.8000113.2
926S52.1Low43.9Very low116 Ų116115.9 Ų115.981%0.81178%0.776SS**  trans38.6123.9134.359.50000123.1
927G41.1Very low44.5Very low81 Ų81116.3 Ų116.384%0.83578%0.781SS**  trans154.4120.9151.100000112.1
928A43.4Very low44.1Very low96 Ų96122.6 Ų122.679%0.79379%0.789SS**  cis-143.3167.1-6.500000109.8
929P51Low44.1Very low136 Ų136122.9 Ų122.988%0.88379%0.792SS**  trans-79.7166.3-160.9-15.932000116.9
930G43.6Very low43.9Very low80 Ų80122.8 Ų122.883%0.82579%0.791SS**  trans-124-162.516600000112.6
931S47.5Very low43.9Very low111 Ų111120.8 Ų120.878%0.77680%0.799SS**  trans-138.1127.2175.750.90000109.1
932A46.8Very low43.9Very low106 Ų106121.7 Ų121.788%0.87681%0.808SS**  57.9137.791.300000113.4
933G35.9Very low43.6Very low64 Ų64124.2 Ų124.266%0.6682%0.82SS**  cis145.3113.89.900000107.3
934E34.2Very low44.1Very low189 Ų189121.1 Ų121.188%0.88382%0.816SS**  72.2148.4114.4-73-155.9119.700117.6
935T44.5Very low43.9Very low141 Ų141121.7 Ų121.787%0.86582%0.822SS**  trans68137.5170-45.90000115
936G41.7Very low44.2Very low55 Ų55121.4 Ų121.457%0.56782%0.82SS**  cis139126.12.300000109.3R938G936-R938 PolarHBondContact O-N 2.79Å
937P53Low44.4Very low139 Ų139121.5 Ų121.590%0.90382%0.817SS**  trans-84.3105.4-163.631.1-35000113.7
938R42Very low44.7Very low251 Ų251121 Ų12195%0.94781%0.812SS**  trans-165.2139.7156.1-163.3171.3-174.9170.42.1114G936G936-R938 PolarHBondContact O-N 2.79Å
939G46.3Very low44.6Very low72 Ų72125.4 Ų125.474%0.74281%0.813SS**  trans123.6108.9149.300000115.4
940D37.6Very low44.8Very low159 Ų159126.7 Ų126.785%0.8581%0.813SS**  trans-92.7146.4173.7-61.6-67.6000112.7
941S44.5Very low44.7Very low131 Ų131126.3 Ų126.392%0.91681%0.809SS**  trans72.1129.9156-60.30000120.9
942G43.7Very low44.7Very low80 Ų80132.7 Ų132.783%0.82582%0.816SS**  trans163.786.2170.400000113.7
943E36.4Very low45.2Very low188 Ų188134.1 Ų134.188%0.87982%0.817SS**  trans-94.9-173.6-176.9-57.7-179.484.300113.2
944P55.1Low45.8Very low119 Ų119134.7 Ų134.777%0.77382%0.822SS**  -129.4178.7-69.439.1-23.9000113.7
945G43.4Very low46.4Very low77 Ų77136 Ų13679%0.79483%0.825SS**  trans-153.558.5-173.600000118.4
946I44.6Very low46.6Very low159 Ų159138.7 Ų138.782%0.81583%0.827SS**  trans-34.8171.4160.837.4164.4000118.8
947P56.4Low47Very low117 Ų117139.2 Ų139.276%0.7683%0.833SS**  cis-143.3170.8-18.634-13.9000117.5
948G48.1Very low46.3Very low70 Ų70141.6 Ų141.672%0.72283%0.832SS**  trans114.7155140.500000117.9
949K41.2Very low47.4Very low189 Ų189135.7 Ų135.782%0.82283%0.826SS**  cis-149.9139.14.3-54177.4-169.6176.70112.1
950D53.6Low47.6Very low163 Ų163135.1 Ų135.187%0.87282%0.82SS**  trans52.4149.4147.1-50.3-36.7000122.2
951G43.4Very low48.1Very low72 Ų72134.2 Ų134.274%0.74282%0.823SS**  cis-154.1168.68.800000115.8
952R46.7Very low48.6Very low246 Ų246138 Ų13893%0.92882%0.823SS**  trans-105.1160.9175-51170.2173.4161.8-4.3108.9
953P56.8Low48.9Very low136 Ų136137.1 Ų137.188%0.88382%0.815SS**  -141.7-177.975.129-6.6000112.7
954G47.7Very low49Very low75 Ų75133 Ų13377%0.77381%0.812SS**  cis-170.3173.50.700000110.8
955K47.4Very low49.2Very low216 Ų216133.3 Ų133.394%0.93982%0.815SS**  trans-104.3159-175.4-58.2-178-179.1-176.20113
956Q49.5Very low49.5Very low198 Ų198133.2 Ų133.293%0.92581%0.813SS**  trans-129.6149.4142.2-170163.4-5.500109.6
957G49.3Very low49.3Very low66 Ų66129.6 Ų129.668%0.6882%0.816SS**  trans-100.5177.3-172.500000114.9
958E37.9Very low49Very low190 Ų190134 Ų13489%0.88882%0.822SS**PPolyproline II helixtrans-69.2135.7-173.7-59.2-178.6129.700113.8
959P64.9Low49.4Very low127 Ų127133.5 Ų133.583%0.82582%0.818SS**PPolyproline II helixtrans-70.5123.7157.9-14.430.3000110.1
960G50.9Low49.6Very low60 Ų60130.8 Ų130.862%0.61982%0.82SS**PPolyproline II helixtrans-66.3163.4-178.900000114.5K962G960-K962 PolarHBondContact O-N 3.08Å; G960-K962 VanDerWaalsContact O-N 3.1Å
961P48.4Very low50Low140 Ų140129.7 Ų129.791%0.90982%0.819SS**  trans-63.3112.2-176.825.9-34.5000111.6
962K54.4Low50.7Low209 Ų209128.6 Ų128.691%0.90981%0.808SS**PPolyproline II helixtrans-73.5127.8176.6-168.8173.7-177.9177.80110G960G960-K962 PolarHBondContact O-N 3.08Å; G960-K962 VanDerWaalsContact O-N 3.1Å
963G50.5Low51.1Low63 Ų63122.8 Ų122.865%0.64980%0.802SS**PPolyproline II helixtrans-59152.8-173.600000114.8P965G963-P965 WeakPolarHBondContact O-CD 3.29Å
964A39.8Very low51.5Low101 Ų101122.3 Ų122.384%0.83580%0.799SS**PPolyproline II helixtrans-62.8122.4-171.800000113.3
965P59.1Low51.6Low126 Ų126121.5 Ų121.582%0.81879%0.79SS**PPolyproline II helixtrans-67.3145166.1-18.333.2000111.2G963G963-P965 WeakPolarHBondContact O-CD 3.29Å
966G49.4Very low51.7Low74 Ų74117.1 Ų117.176%0.76378%0.784SS**PPolyproline II helixtrans-62.9150-173.100000114.9
967G40.2Very low52.3Low84 Ų84113.7 Ų113.787%0.86678%0.779SS**PPolyproline II helixtrans-64.4139-17900000113.3
968K50Low52.3Low208 Ų208113.7 Ų113.790%0.90478%0.779SS**PPolyproline II helixtrans-81147.1164.5-78.1-174.7172-178.20109.9
969G56.3Low52.6Low61 Ų61113 Ų11363%0.62978%0.78SS**  trans-64.9174.3177.100000113.4T971G969-T971 PolarHBondContact O-N 2.83Å
970P46.3Very low52.1Low132 Ų132114.8 Ų114.886%0.85778%0.783SS**PPolyproline II helixtrans-58126.4-176.524.7-34.4000111.2G972P970-G972 PolarHBondContact O-N 2.86Å
971T61.3Low52.1Low139 Ų139114.5 Ų114.585%0.85378%0.78SS**PPolyproline II helixtrans-56.1129.5169.3-49.40000108.7G969G969-T971 PolarHBondContact O-N 2.83Å
972G58.4Low52Low49 Ų49114 Ų11451%0.50578%0.777SS.*PPolyproline II helixtrans-57.4156.3175.200000111.7P970P970-G972 PolarHBondContact O-N 2.86Å
973P54.4Low51.9Low125 Ų125110.5 Ų110.581%0.81277%0.773SS**PPolyproline II helixtrans-54.3133.6178.324.1-33.8000109.7G975P973-G975 PolarHBondContact O-N 2.88Å
974P65.4Low51.8Low125 Ų125110.4 Ų110.481%0.81277%0.772SS**PPolyproline II helixtrans-52.3140.1175.9-27.435.2000111
975G50Low51.9Low58 Ų58116.4 Ų116.460%0.59877%0.774SS**PPolyproline II helixtrans-56.2152.2171.500000110.6P973P973-G975 PolarHBondContact O-N 2.88Å
976P49.3Very low51.7Low124 Ų124116.2 Ų116.281%0.80577%0.773SS**PPolyproline II helixtrans-53.8137.6175.925-34.1000109.3G978P976-G978 PolarHBondContact O-N 2.82Å
977P62.2Low51.7Low126 Ų126116.1 Ų116.182%0.81877%0.773SS**PPolyproline II helixtrans-49.9132.1178.6-28.735.4000111L979P977-L979 PolarHBondContact O-N 3.22Å
978G49.9Very low51.7Low66 Ų66120.1 Ų120.168%0.6877%0.774SS**PPolyproline II helixtrans-57.6138.5169.700000108.9P976 D980P976-G978 PolarHBondContact O-N 2.82Å; G978-D980 PolarHBondContact O-N 3.21Å
979L43.6Very low51.7Low176 Ų176119.6 Ų119.692%0.92178%0.775SS**PPolyproline II helixtrans-52.6131.1176.1-65.3172.8000109.2P977 G981P977-L979 PolarHBondContact O-N 3.22Å; L979-G981 PolarHBondContact O-N 3.38Å; L979-G981 VanDerWaalsContact O-N 3.07Å
980D54.3Low51.7Low164 Ų164119.3 Ų119.388%0.87777%0.772SS**PPolyproline II helixtrans-52.3117.8-174.6-67-61.1000110.6G978G978-D980 PolarHBondContact O-N 3.21Å
981G51.1Low51.6Low55 Ų55118.3 Ų118.357%0.56777%0.766SS**PPolyproline II helixtrans-59.8143.817100000109.3L979 V983L979-G981 PolarHBondContact O-N 3.38Å; L979-G981 VanDerWaalsContact O-N 3.07Å; G981-V983 PolarHBondContact O-N 3.27Å; G981-V983 VanDerWaalsContact O-N 3.12Å
982P46.6Very low51.6Low130 Ų130122.3 Ų122.384%0.84477%0.765SS**PPolyproline II helixtrans-54.7124.5179.523.7-33.7000109.3G984P982-G984 PolarHBondContact O-N 2.8Å
983V52.7Low51.6Low135 Ų135122.4 Ų122.482%0.81877%0.766SS**  trans-52.7113.5-172.6176.40000109.4G981 Y985G981-V983 PolarHBondContact O-N 3.27Å; G981-V983 VanDerWaalsContact O-N 3.12Å; V983-Y985 PolarHBondContact O-N 3.37Å
984G48Very low51.1Low61 Ų61122.9 Ų122.963%0.62977%0.769SS**PPolyproline II helixtrans-58.6129.7178.800000110P982P982-G984 PolarHBondContact O-N 2.8Å
985Y41.9Very low50.9Low226 Ų226121.4 Ų121.489%0.88676%0.762SS**PPolyproline II helixtrans-51.6128.6179.1-65.6-80.2000110.3V983 G987V983-Y985 PolarHBondContact O-N 3.37Å; Y985-G987 PolarHBondContact O-N 2.03Å
986P54.1Low51.3Low122 Ų122121.4 Ų121.479%0.79276%0.762SS**PPolyproline II helixtrans-55.1124.7176.8-26.535.1000110.5
987G50.4Low51.2Low73 Ų73121.9 Ų121.975%0.75377%0.765SS**PPolyproline II helixtrans-62.4139.6-177.100000112.1Y985 Q989Y985-G987 PolarHBondContact O-N 2.03Å; G987-Q989 PolarHBondContact O-N 2.78Å
988D39.8Very low51.1Low167 Ų167122.7 Ų122.789%0.89377%0.767SS**PPolyproline II helixtrans-51.8123.6-176.6-70-51.9000112.1G990D988-G990 PolarHBondContact O-N 2.9Å; D988-G990 VanDerWaalsContact O-N 3.15Å
989Q50.5Low51.3Low197 Ų197122.7 Ų122.792%0.92177%0.767SS**PPolyproline II helixtrans-67.9116.9-179.3-166.6172.747.600109.8G987G987-Q989 PolarHBondContact O-N 2.78Å
990G55Low51.2Low55 Ų55123.9 Ų123.957%0.56777%0.768SS**PPolyproline II helixtrans-54.5149.8-174.500000113.6D988 R992D988-G990 PolarHBondContact O-N 2.9Å; D988-G990 VanDerWaalsContact O-N 3.15Å; G990-R992 PolarHBondContact O-N 2.94Å; G990-R992 VanDerWaalsContact O-N 3.15Å
991P45.2Very low51.4Low112 Ų112127.6 Ų127.673%0.72777%0.77SS**PPolyproline II helixtrans-59.4121.4-171.924.3-34.4000111.3G993P991-G993 PolarHBondContact O-N 2.79Å
992R61.2Low51.8Low223 Ų223127.7 Ų127.784%0.84277%0.771SS**PPolyproline II helixtrans-50.5121.6176.7-178.2177.6176.6173.10.4110.2G990G990-R992 PolarHBondContact O-N 2.94Å; G990-R992 VanDerWaalsContact O-N 3.15Å
993G59.2Low52Low50 Ų50128 Ų12852%0.51577%0.772SS.*PPolyproline II helixtrans-59.3156.8175.900000112.2P991 S995P991-G993 PolarHBondContact O-N 2.79Å; G993-S995 PolarHBondContact O-N 3.03Å
994P43.3Very low52Low135 Ų135130.3 Ų130.388%0.87778%0.777SS**PPolyproline II helixtrans-57.9132.5179.725.6-34.2000110.5G996P994-G996 PolarHBondContact O-N 3.17Å
995S60.2Low52Low95 Ų95130.7 Ų130.766%0.66478%0.78SS**PPolyproline II helixtrans-59.5132.3176.6-61.30000110.5G993G993-S995 PolarHBondContact O-N 3.03Å
996G60Low52.3Low58 Ų58125.1 Ų125.160%0.59878%0.781SS**PPolyproline II helixtrans-62.5162.7167.400000112P994P994-G996 PolarHBondContact O-N 3.17Å
997P45.5Very low52Low134 Ų134131 Ų13187%0.8779%0.787SS**PPolyproline II helixtrans-60.2144.4-179.826-34.5000111.7G999P997-G999 PolarHBondContact O-N 3.21Å
998V60.7Low51.9Low142 Ų142130.7 Ų130.786%0.86179%0.785SS**PPolyproline II helixtrans-69.9124.3178177.20000109.4
999G53.5Low52.2Low66 Ų66129 Ų12968%0.6879%0.785SS**PPolyproline II helixtrans-65.4142.9173.200000111.9P997 R1001P997-G999 PolarHBondContact O-N 3.21Å; G999-R1001 PolarHBondContact O-N 2.98Å
1000E42.8Very low51.9Low201 Ų201131.9 Ų131.994%0.93979%0.788SS**PPolyproline II helixtrans-60.9133-173.2-62.1-173133.800112.8
1001R57.9Low51.4Low243 Ų243132 Ų13292%0.91779%0.789SS**PPolyproline II helixtrans-81.4123.2170.4178.9-179.2-71.9-174.7-2.4109G999G999-R1001 PolarHBondContact O-N 2.98Å
1002G59.6Low51.2Low57 Ų57135.1 Ų135.159%0.58880%0.8SS**PPolyproline II helixtrans-55.6152.917600000113.7
1003P51.2Low50.5Low135 Ų135136.1 Ų136.188%0.87780%0.803SS**PPolyproline II helixtrans-67.9146.8-165.326-35.2000114.4
1004M51.2Low50Low185 Ų185136.5 Ų136.591%0.91181%0.808SS**PPolyproline II helixtrans-72.8138.4177.4-179.7172.262.500111.9
1005G49.9Very low49.8Very low69 Ų69137.5 Ų137.571%0.71181%0.805SS**PPolyproline II helixtrans-62.9149.5175.500000113.5
1006A47.5Very low49.7Very low108 Ų108139 Ų13989%0.89381%0.813SS**PPolyproline II helixtrans-75.2155-168.700000114.9
1007R47.4Very low49Very low245 Ų245139.7 Ų139.793%0.92582%0.82SS**PPolyproline II helixtrans-79.8129.8-176178.4-179.2-176.1170.65.8112.7
1008G48.5Very low48.8Very low68 Ų68142.6 Ų142.670%0.70182%0.822SS**PPolyproline II helixtrans-69.4152.416900000113.8
1009S45.2Very low48.5Very low130 Ų130142.9 Ų142.991%0.90982%0.824SS**PPolyproline II helixtrans-86.9166.5-168.550.10000115.5
1010R44.8Very low48.7Very low258 Ų258142.3 Ų142.397%0.97482%0.818SS**PPolyproline II helixtrans-96.4135.2-176.2174.3-171.6-176.7177.53.6112.2
1011G44.1Very low48.9Very low57 Ų57138.9 Ų138.959%0.58881%0.813SS**  trans177.5141.9164.800000108.4
1012D42Very low48.7Very low178 Ų178135.8 Ų135.895%0.95281%0.814SS**  cis-136.7-168.3-1.5-79.3-46.7000111.4
1013R45.3Very low48.6Very low244 Ų244135.6 Ų135.692%0.92181%0.812SS**  trans-120.6125.8-172.4177.7-170.9-179.5-1771.2112.3
1014G49.3Very low48.6Very low59 Ų59134.9 Ų134.961%0.60881%0.807SS**  trans-176.8150.7161.600000108.7
1015D40.2Very low48.9Very low155 Ų155131.9 Ų131.983%0.82980%0.802SS**  cis-141.9161.6-11.8-80.6-47.3000109.4
1016P58.3Low49.3Very low127 Ų127132.2 Ų132.283%0.82581%0.805SS**  trans-86.4114.5-173.6-6.325.7000113.6
1017G44Very low49.6Very low72 Ų72138.6 Ų138.674%0.74281%0.806SS**  trans175.9152.9167.600000111
1018E40.9Very low50.2Low196 Ų196134.5 Ų134.592%0.91680%0.802SS**  cis-118176.3-4.4-63.3-174.4122.100110.8G1020E1018-G1020 PolarHBondContact O-N 2.74Å
1019V54.2Low50.5Low148 Ų148134.7 Ų134.790%0.89780%0.804SS**  trans-77.3114.3175.2179.10000109.9
1020G57.9Low50.8Low54 Ų54137.8 Ų137.856%0.55780%0.804SS**PPolyproline II helixtrans-64.4156.2176.400000113.7E1018E1018-G1020 PolarHBondContact O-N 2.74Å
1021P48.3Very low51.5Low128 Ų128133.4 Ų133.483%0.83180%0.799SS**PPolyproline II helixtrans-67163.8-174.928.5-36000113.5G1023P1021-G1023 PolarHBondContact O-N 3.11Å
1022L52.1Low52.3Low178 Ų178133.3 Ų133.393%0.93280%0.798SS**PPolyproline II helixtrans-50.4133.8176.9-170.268.9000111.2
1023G57.5Low53Low53 Ų53130.5 Ų130.555%0.54679%0.789SS.*PPolyproline II helixtrans-61.6157.7-170.300000114.5P1021P1021-G1023 PolarHBondContact O-N 3.11Å
1024P52.5Low53.9Low120 Ų120124.5 Ų124.578%0.77978%0.782SS**PPolyproline II helixtrans-60.6157174.428.7-35.8000110.9
1025P58.2Low54.4Low123 Ų123124.7 Ų124.780%0.79978%0.784SS**PPolyproline II helixtrans-49.8144.4170.2-2635000111.3R1027P1025-R1027 PolarHBondContact O-N 3.09Å
1026G56.4Low54.9Low75 Ų75123.3 Ų123.377%0.77378%0.783SS**PPolyproline II helixtrans-53.5138.4174.300000110.2D1028G1026-D1028 PolarHBondContact O-N 2.84Å
1027R54.4Low54.7Low243 Ų243125.6 Ų125.692%0.91778%0.783SS**PPolyproline II helixtrans-54.2140.7171.9-68179.8174-173.4-3.1108.7P1025 G1029P1025-R1027 PolarHBondContact O-N 3.09Å; R1027-G1029 PolarHBondContact O-N 2.62Å
1028D59.9Low55.1Low159 Ų159125.1 Ų125.185%0.8578%0.778SS**PPolyproline II helixtrans-50134.5163.9-64.3-57.2000108.5G1026 E1030G1026-D1028 PolarHBondContact O-N 2.84Å; D1028-E1030 PolarHBondContact O-N 3.34Å
1029G56.1Low55.4Low71 Ų71125 Ų12573%0.73278%0.778SS**PPolyproline II helixtrans-55.9141.3-179.700000110.2R1027 L1031R1027-G1029 PolarHBondContact O-N 2.62Å; G1029-L1031 PolarHBondContact O-N 3.33Å; G1029-L1031 VanDerWaalsContact O-N 3.14Å
1030E49.9Very low55.5Low195 Ų195122.9 Ų122.991%0.91177%0.77SS**PPolyproline II helixtrans-50.8125.2-177.7-67.5-171.8138.600110D1028 G1032D1028-E1030 PolarHBondContact O-N 3.34Å; E1030-G1032 PolarHBondContact O-N 3.41Å
1031L59.3Low55.3Low167 Ų167123.2 Ų123.287%0.87477%0.773SS**PPolyproline II helixtrans-57.9117.8179.3-158.984000107.1G1029G1029-L1031 PolarHBondContact O-N 3.33Å; G1029-L1031 VanDerWaalsContact O-N 3.14Å
1032G62.5Low55.5Low54 Ų54122.7 Ų122.756%0.55777%0.769SS**PPolyproline II helixtrans-49.4137.1-174.800000110.4E1030E1030-G1032 PolarHBondContact O-N 3.41Å
1033P56Low55.5Low119 Ų119120.2 Ų120.277%0.77376%0.764SS**PPolyproline II helixtrans-52.4133.2-169.420.4-32.9000109.7G1035P1033-G1035 PolarHBondContact O-N 2.73Å
1034P64.1Low54.9Low118 Ų118121 Ų12177%0.76677%0.771SS**PPolyproline II helixtrans-48.5128.7179.2-29.135.2000110.2
1035G59.3Low54.9Low63 Ų63123.2 Ų123.265%0.64978%0.776SS**PPolyproline II helixtrans-50135.318000000109.5P1033 Q1037P1033-G1035 PolarHBondContact O-N 2.73Å; G1035-Q1037 PolarHBondContact O-N 2.93Å; G1035-Q1037 VanDerWaalsContact O-N 3.13Å
1036P51.8Low54.3Low127 Ų127123.2 Ų123.283%0.82578%0.776SS**PPolyproline II helixtrans-52.8125-167.120.4-33.1000109.8G1038P1036-G1038 PolarHBondContact O-N 3.13Å; P1036-G1038 VanDerWaalsContact O-N 3.08Å
1037Q54.4Low53.5Low174 Ų174122.5 Ų122.581%0.81377%0.768SS**PPolyproline II helixtrans-51.3121.5-179-179.2175.5-6.600108.3G1035 Q1039G1035-Q1037 PolarHBondContact O-N 2.93Å; G1035-Q1037 VanDerWaalsContact O-N 3.13Å; Q1037-Q1039 PolarHBondContact O-N 3.49Å
1038G52.1Low52.8Low63 Ų63116.5 Ų116.565%0.64976%0.761SS**PPolyproline II helixtrans-50131.9-178.400000109.6P1036 S1040P1036-G1038 PolarHBondContact O-N 3.13Å; P1036-G1038 VanDerWaalsContact O-N 3.08Å; G1038-S1040 PolarHBondContact O-N 3.12Å; G1038-S1040 VanDerWaalsContact O-N 3.15Å
1039Q47.5Very low51.6Low194 Ų194114.7 Ų114.791%0.90776%0.758SS**PPolyproline II helixtrans-48.3125-171.3-71.6-177.6-7.700109.9Q1037 G1041Q1037-Q1039 PolarHBondContact O-N 3.49Å; Q1039-G1041 PolarHBondContact O-N 3.17Å
1040S55.1Low50.6Low103 Ų103114.4 Ų114.472%0.7276%0.755SS**PPolyproline II helixtrans-53.9127.3171.7-52.30000108G1038G1038-S1040 PolarHBondContact O-N 3.12Å; G1038-S1040 VanDerWaalsContact O-N 3.15Å
1041G53.1Low49.8Very low60 Ų60112.9 Ų112.962%0.61975%0.748SS**PPolyproline II helixtrans-51.5143.3173.400000109.5Q1039Q1039-G1041 PolarHBondContact O-N 3.17Å
1042P52.5Low48.5Very low118 Ų118112.6 Ų112.677%0.76675%0.746SS**PPolyproline II helixtrans-53.3136.7-177.923-33.7000109.1G1044P1042-G1044 PolarHBondContact O-N 2.86Å; P1042-G1044 VanDerWaalsContact O-N 3.17Å
1043P53.1Low47.1Very low126 Ų126112 Ų11282%0.81873%0.731SS**PPolyproline II helixtrans-49.8127.9175.9-27.534.8000109.6L1045P1043-L1045 PolarHBondContact O-N 3.37Å
1044G45.4Very low46Very low68 Ų68110.2 Ų110.270%0.70172%0.722SS**PPolyproline II helixtrans-50.9136.6178.300000109.7P1042P1042-G1044 PolarHBondContact O-N 2.86Å; P1042-G1044 VanDerWaalsContact O-N 3.17Å
1045L51.5Low44.7Very low168 Ų168108.1 Ų108.188%0.8870%0.703SS**PPolyproline II helixtrans-47.2127.5-179.3-72.7171.9000109.1P1043 G1047P1043-L1045 PolarHBondContact O-N 3.37Å; L1045-G1047 PolarHBondContact O-N 3Å
1046P45.7Very low43.6Very low122 Ų122114.8 Ų114.879%0.79272%0.717SS**PPolyproline II helixtrans-51.2118.9178.9-28.235000109.4
1047G39.9Very low42.8Very low60 Ų60112 Ų11262%0.61970%0.704SS**PPolyproline II helixtrans-51.3134.1-176.100000109.7L1045L1045-G1047 PolarHBondContact O-N 3Å
1048P40.5Very low42.1Very low118 Ų118109.8 Ų109.877%0.76669%0.688SS**PPolyproline II helixtrans-52.7130.2-173.221.6-33.3000108.9G1050P1048-G1050 PolarHBondContact O-N 2.93Å
1049P34.9Very low41.3Very low121 Ų121111.2 Ų111.279%0.78669%0.694SS**  trans-53.7114.3-163.119.3-32.9000109.5Q1051P1049-Q1051 PolarHBondContact O-N 2.98Å
1050G33.2Very low40.8Very low65 Ų65107.1 Ų107.167%0.6769%0.687SS**  trans-55.2106.3-163.600000110.7P1048 I1052P1048-G1050 PolarHBondContact O-N 2.93Å; G1050-I1052 PolarHBondContact O-N 3Å
1051Q33.8Very low40Very low162 Ų162111.7 Ų111.776%0.75769%0.689SS**  trans-70.683.3173.3-73.3-164.54.100108.4P1049 V1053P1049-Q1051 PolarHBondContact O-N 2.98Å; Q1051-V1053 HydrophobicContact CB-CG2 3.96Å; Q1051-V1053 PolarHBondContact O-N 2.87Å
1052I33Very low39.4Very low162 Ų162112.5 Ų112.583%0.83168%0.682SS**  trans-67.768.2159-49.7176.7000106.6G1050 S1054G1050-I1052 PolarHBondContact O-N 3Å; I1052-S1054 PolarHBondContact O-N 3.17Å; I1052-S1054 VanDerWaalsContact O-N 3.14Å
1053V32.2Very low38.5Very low41 Ų41115.7 Ų115.725%0.24868%0.683CS.*  trans-60.9118.4167.2-1750000105.4Q1051 M1055Q1051-V1053 HydrophobicContact CB-CG2 3.96Å; Q1051-V1053 PolarHBondContact O-N 2.87Å; V1053-M1055 PolarHBondContact O-N 2.95Å
1054S33.3Very low37.5Very low82 Ų82112.6 Ų112.657%0.57368%0.675SS**  trans-59.496.2-177.245.50000110.2I1052 Q1056 A1057I1052-S1054 PolarHBondContact O-N 3.17Å; I1052-S1054 VanDerWaalsContact O-N 3.14Å; S1054-Q1056 PolarHBondContact O-N 3.34Å; S1054-A1057 WeakPolarHBondContact O-CB 3.44Å; S1054-A1057 PolarHBondContact O-N 2.84Å
1055M37Very low37.2Very low74 Ų74116.5 Ų116.537%0.36568%0.678SS.*G310 helixtrans-64.4-16.4-165.6-92.9-76.7162.200114.2V1053 A1057 R1058 L1182V1053-M1055 PolarHBondContact O-N 2.95Å; M1055-A1057 PolarHBondContact O-N 3.38Å; M1055-R1058 HydrophobicContact CE-CB 4.24Å; M1055-R1058 PolarHBondContact O-N 3.34Å; M1055-R1058 HydrophobicContact SD-CB 3.78Å; M1055-L1182 HydrophobicContact CE-CD1 3.76Å; M1055-L1182 HydrophobicContact CE-CD2 3.71Å; M1055-L1182 HydrophobicContact CE-CG 3.49Å; M1055-L1182 VanDerWaalsContact CE-CG 3.49Å; M1055-L1182 HydrophobicContact CG-CD1 4.34Å
1056Q36.3Very low36.7Very low202 Ų202111.1 Ų111.194%0.94465%0.649SS**G310 helixtrans-54.7-18.1165.9-68.6178.7-15.200113.4S1054S1054-Q1056 PolarHBondContact O-N 3.34Å
1057A34.8Very low36.5Very low68 Ų68108.5 Ų108.556%0.56262%0.624SS**G310 helixtrans-98.9-6.9175.200000115.5S1054 M1055S1054-A1057 WeakPolarHBondContact O-CB 3.44Å; S1054-A1057 PolarHBondContact O-N 2.84Å; M1055-A1057 PolarHBondContact O-N 3.38Å
1058R38.4Very low36.3Very low128 Ų128107 Ų10748%0.48361%0.609SS.*THydrogen-bonded Turntrans-106.4-16-174.4-92.5-176.8174.5172.74.1116M1055 S1060M1055-R1058 HydrophobicContact CE-CB 4.24Å; M1055-R1058 PolarHBondContact O-N 3.34Å; M1055-R1058 HydrophobicContact SD-CB 3.78Å; R1058-S1060 PolarHBondContact O-N 3.23Å
1059A35.2Very low36.3Very low94 Ų94107.6 Ų107.678%0.77761%0.606SS**THydrogen-bonded Turntrans-63.91.8-178.900000116.4
1060S38.7Very low37Very low108 Ų108105.7 Ų105.776%0.75559%0.589SS**THydrogen-bonded Turntrans-125.1-16.1-172.6-148.40000115.6R1058R1058-S1060 PolarHBondContact O-N 3.23Å
1061R38.2Very low37.6Very low198 Ų198106.8 Ų106.875%0.74758%0.584SS**THydrogen-bonded Turntrans-93.8-12.3-174.7-66.5-167-175.6-162.11.5115.4K1063R1061-K1063 VanDerWaalsContact C-N 3.31Å; R1061-K1063 PolarHBondContact O-N 3.45Å
1062T39.4Very low38.4Very low77 Ų77101.9 Ų101.947%0.47257%0.571SS.*THydrogen-bonded Turntrans-77.5-5.1-176.1300000115.4
1063K34.7Very low39.3Very low185 Ų18597.4 Ų97.480%0.80455%0.548SS*.THydrogen-bonded Turntrans-69.8-29.7175.5-75.8-167.6172.6-173.30114.1R1061R1061-K1063 VanDerWaalsContact C-N 3.31Å; R1061-K1063 PolarHBondContact O-N 3.45Å
1064G31.3Very low40Very low62 Ų62100.6 Ų100.664%0.63956%0.559SS**SBendtrans-90.3-9.8-171.500000116.6
1065I38.2Very low40.9Very low149 Ų149107.2 Ų107.276%0.76457%0.571SS**SBendtrans-108.1-6.7-173.7-54.6178.1000111.7
1066M42.2Very low41.5Very low56 Ų56113.2 Ų113.228%0.27659%0.59SS.*SBendtrans-95.6-8.1-178-71.6-63.3-62.800114.8R1094M1066-R1094 VanDerWaalsContact CG-NH1 3.33Å; M1066-R1094 PolarHBondContact SD-NH1 2.91Å
1067Y40.5Very low41.9Very low66 Ų66109.2 Ų109.226%0.25957%0.569SS.*SBendtrans-132.399.9-171.1-69.5-80.6000112.3D1069 T1083 P1085Y1067-D1069 VanDerWaalsContact C-N 3.31Å; Y1067-D1069 PolarHBondContact O-N 3.34Å; Y1067-T1083 WeakPolarHBondContact CE1-O 3.26Å; Y1067-P1085 WeakPolarHBondContact OH-CD 3.33Å
1068G35.9Very low41.5Very low30 Ų30107.7 Ų107.731%0.30956%0.561SS.*SBendtrans67.8-12.6144.800000121.1K1074G1068-K1074 VanDerWaalsContact O-CD 3.26Å; G1068-K1074 WeakPolarHBondContact O-CD 3.3Å; G1068-K1074 WeakPolarHBondContact O-CE 3.26Å; G1068-K1074 WeakPolarHBondContact O-CG 3.09Å; G1068-K1074 PolarHBondContact O-NZ 3.33Å
1069D40.2Very low41.4Very low130 Ų130109.4 Ų109.470%0.69558%0.579SS**  trans-90.2-0.9-166.3-75.3-21.8000117.3Y1067 P1071 K1074Y1067-D1069 VanDerWaalsContact C-N 3.31Å; Y1067-D1069 PolarHBondContact O-N 3.34Å; D1069-P1071 WeakPolarHBondContact O-CD 3.33Å; D1069-K1074 IonicContact OD1-NZ 2.7Å; D1069-K1074 PolarHBondContact OD1-NZ 3.29Å
1070D49.5Very low41.8Very low81 Ų81108.4 Ų108.443%0.43356%0.56SS.*  trans-78121.6163.7-172.6-20.7000110.8A1072 I1073 K1074D1070-A1072 PolarHBondContact O-N 3.08Å; D1070-A1072 VanDerWaalsContact O-N 3.14Å; D1070-A1072 VanDerWaalsContact OD1-CB 3.29Å; D1070-A1072 WeakPolarHBondContact OD1-CB 3.42Å; D1070-A1072 PolarHBondContact OD1-N 3.35Å; D1070-I1073 HydrophobicContact CB-CB 4.23Å; D1070-I1073 HydrophobicContact CB-CD1 3.9Å; D1070-I1073 HydrophobicContact CB-CG1 3.91Å; D1070-I1073 PolarHBondContact O-N 3.39Å; D1070-K1074 PolarHBondContact O-N 3.16Å
1071P47.6Very low41.6Very low87 Ų87111 Ų11157%0.56556%0.56SS**Hα-helixtrans-58.5-21.1174.4-24.135.2000115D1069 R1075D1069-P1071 WeakPolarHBondContact O-CD 3.33Å; P1071-R1075 VanDerWaalsContact O-CG 3.27Å; P1071-R1075 WeakPolarHBondContact O-CG 3.39Å; P1071-R1075 PolarHBondContact O-N 3.19Å
1072A49.3Very low42Very low59 Ų59107 Ų10749%0.48856%0.558SS.*Hα-helixtrans-74.8-36.9172.900000112.1D1070 R1075 R1076D1070-A1072 PolarHBondContact O-N 3.08Å; D1070-A1072 VanDerWaalsContact O-N 3.14Å; D1070-A1072 VanDerWaalsContact OD1-CB 3.29Å; D1070-A1072 WeakPolarHBondContact OD1-CB 3.42Å; D1070-A1072 PolarHBondContact OD1-N 3.35Å; A1072-R1075 PolarHBondContact O-N 3.42Å; A1072-R1076 PolarHBondContact O-N 3Å; A1072-R1076 VanDerWaalsContact O-N 3.12Å
1073I51.8Low42.9Very low69 Ų69106 Ų10635%0.35455%0.552SS.*Hα-helixtrans-68.6-47.7177.3-64.9177.7000110D1070 R1075 R1076 F1077D1070-I1073 HydrophobicContact CB-CB 4.23Å; D1070-I1073 HydrophobicContact CB-CD1 3.9Å; D1070-I1073 HydrophobicContact CB-CG1 3.91Å; D1070-I1073 PolarHBondContact O-N 3.39Å; I1073-R1075 PolarHBondContact O-N 3.42Å; I1073-R1075 VanDerWaalsContact O-N 3.12Å; I1073-R1076 PolarHBondContact O-N 3.36Å; I1073-F1077 HydrophobicContact CG2-CD2 4.16Å; I1073-F1077 PolarHBondContact O-N 2.9Å
1074K46.9Very low44.9Very low108 Ų10899.4 Ų99.447%0.4753%0.527SS..Hα-helixtrans-56.3-26.4173.3-84.4169.5173130.50113.5G1068 D1069 D1070G1068-K1074 VanDerWaalsContact O-CD 3.26Å; G1068-K1074 WeakPolarHBondContact O-CD 3.3Å; G1068-K1074 WeakPolarHBondContact O-CE 3.26Å; G1068-K1074 WeakPolarHBondContact O-CG 3.09Å; G1068-K1074 PolarHBondContact O-NZ 3.33Å; D1069-K1074 IonicContact OD1-NZ 2.7Å; D1069-K1074 PolarHBondContact OD1-NZ 3.29Å; D1070-K1074 PolarHBondContact O-N 3.16Å
1075R52.8Low47.5Very low221 Ų22197 Ų9783%0.83450%0.5SS*.Hα-helixtrans-84.5-26.2175.1-76.8176.4-179-153.9-0114.7P1071 A1072 I1073P1071-R1075 VanDerWaalsContact O-CG 3.27Å; P1071-R1075 WeakPolarHBondContact O-CG 3.39Å; P1071-R1075 PolarHBondContact O-N 3.19Å; A1072-R1075 PolarHBondContact O-N 3.42Å; I1073-R1075 PolarHBondContact O-N 3.42Å; I1073-R1075 VanDerWaalsContact O-N 3.12Å
1076R49.6Very low50Low199 Ų19992.6 Ų92.675%0.75148%0.477SS*.Hα-helixtrans-90.1-22.6-174.1-153.8176.1-164.9-173.73.4113.6A1072 I1073A1072-R1076 PolarHBondContact O-N 3Å; A1072-R1076 VanDerWaalsContact O-N 3.12Å; I1073-R1076 PolarHBondContact O-N 3.36Å
1077F43.9Very low52.4Low118 Ų11890.1 Ų90.152%0.51847%0.465SS..SBendtrans-121.93-178.1-62.9-83.1000114.4I1073 I1080I1073-F1077 HydrophobicContact CG2-CD2 4.16Å; I1073-F1077 PolarHBondContact O-N 2.9Å; F1077-I1080 HydrophobicContact CB-CD1 3.45Å; F1077-I1080 VanDerWaalsContact CB-CD1 3.45Å; F1077-I1080 HydrophobicContact CB-CG1 3.83Å; F1077-I1080 HydrophobicContact CD1-CD1 4.23Å; F1077-I1080 HydrophobicContact CG-CD1 3.97Å
1078G28.3Very low55Low37 Ų3789.9 Ų89.938%0.38147%0.471SS..  trans67.1-154-174.200000112.9I1080G1078-I1080 PolarHBondContact O-N 2.63Å
1079N34.4Very low57.6Low163 Ų16390.9 Ų90.987%0.87248%0.476SS*.  trans-75.871.3178.4-77.3-2.6000111.7E1081N1079-E1081 VanDerWaalsContact C-N 3.33Å; N1079-E1081 PolarHBondContact O-N 3.07Å
1080I43.8Very low59.8Low73 Ų7393 Ų9337%0.37448%0.482SS..  trans-68.495.2158.4-71-165000107.7F1077 G1078 T1082 T1083F1077-I1080 HydrophobicContact CB-CD1 3.45Å; F1077-I1080 VanDerWaalsContact CB-CD1 3.45Å; F1077-I1080 HydrophobicContact CB-CG1 3.83Å; F1077-I1080 HydrophobicContact CD1-CD1 4.23Å; F1077-I1080 HydrophobicContact CG-CD1 3.97Å; G1078-I1080 PolarHBondContact O-N 2.63Å; I1080-T1082 VanDerWaalsContact C-N 3.35Å; I1080-T1082 PolarHBondContact O-N 2.71Å; I1080-T1083 HydrophobicContact CG2-CG2 3.57Å; I1080-T1083 WeakPolarHBondContact CG2-OG1 3.39Å
1081E36.1Very low61.7Low163 Ų16391.9 Ų91.976%0.76248%0.475SS*.  trans-66.185.9175-70.6-170.6126.600111.2N1079 T1083N1079-E1081 VanDerWaalsContact C-N 3.33Å; N1079-E1081 PolarHBondContact O-N 3.07Å; E1081-T1083 WeakPolarHBondContact O-CA 3.43Å; E1081-T1083 PolarHBondContact O-N 3.02Å
1082T46.6Very low63.9Low115 Ų11589.3 Ų89.371%0.70646%0.458SS*.SBendtrans5129.9167.648.40000114.3I1080 T1084I1080-T1082 VanDerWaalsContact C-N 3.35Å; I1080-T1082 PolarHBondContact O-N 2.71Å; T1082-T1084 PolarHBondContact O-N 2.66Å
1083T57.7Low66Low55 Ų5586.5 Ų86.534%0.33744%0.436SS..PPolyproline II helixtrans-66.9124.2-156.958.70000112.7Y1067 I1080 E1081Y1067-T1083 WeakPolarHBondContact CE1-O 3.26Å; I1080-T1083 HydrophobicContact CG2-CG2 3.57Å; I1080-T1083 WeakPolarHBondContact CG2-OG1 3.39Å; E1081-T1083 WeakPolarHBondContact O-CA 3.43Å; E1081-T1083 PolarHBondContact O-N 3.02Å
1084T76.3Confident67.9Low47 Ų4785.8 Ų85.829%0.28843%0.428SS..PPolyproline II helixtrans-62.4132.4171.750.90000109.8T1082 Q1086 M1102 H1103T1082-T1084 PolarHBondContact O-N 2.66Å; T1084-Q1086 PolarHBondContact O-N 3.47Å; T1084-Q1086 PolarHBondContact O-NE2 2.94Å; T1084-M1102 HydrophobicContact CG2-CE 3.37Å; T1084-H1103 PolarHBondContact OG1-CE1 3.2Å; T1084-H1103 PolarHBondContact OG1-NE2 3.16Å
1085P86.3Confident70.1Confident10 Ų1081.5 Ų81.57%0.06541%0.411CS..PPolyproline II helixtrans-68.2123.5-17025.5-34.1000110.9Y1067 G1087 A1093 L1099Y1067-P1085 WeakPolarHBondContact OH-CD 3.33Å; P1085-G1087 PolarHBondContact O-N 3.06Å; P1085-A1093 HydrophobicContact CB-CB 4.37Å; P1085-A1093 HydrophobicContact CG-CB 4.49Å; P1085-L1099 WeakPolarHBondContact O-CD1 3.34Å
1086Q91Very high72.2Confident58 Ų5871 Ų7127%0.27137%0.371SS..  trans-80.8-16.1-170.5-69.1-51-49.500114.6T1084 T1088 L1091 H1103 K1106T1084-Q1086 PolarHBondContact O-N 3.47Å; T1084-Q1086 PolarHBondContact O-NE2 2.94Å; Q1086-T1088 VanDerWaalsContact C-N 3.31Å; Q1086-T1088 HydrophobicContact CB-CG2 4.05Å; Q1086-L1091 HydrophobicContact CB-CB 4.46Å; Q1086-L1091 PolarHBondContact N-O 2.82Å; Q1086-L1091 VanDerWaalsContact N-O 3.08Å; Q1086-H1103 PolarHBondContact NE2-CE1 3.12Å; Q1086-H1103 VanDerWaalsContact NE2-CE1 3.27Å; Q1086-H1103 PolarHBondContact NE2-NE2 2.84Å; Q1086-K1106 PolarHBondContact O-NZ 2.79Å
1087G92.7Very high74.3Confident4 Ų461.7 Ų61.74%0.04134%0.338CS..SBendtrans75.622.5-169.500000112.7P1085 L1091 W1112P1085-G1087 PolarHBondContact O-N 3.06Å; G1087-L1091 PolarHBondContact N-O 2.63Å; G1087-W1112 WeakPolarHBondContact CA-O 3.34Å; G1087-W1112 PolarHBondContact O-N 3.08Å
1088T93.9Very high76.6Confident61 Ų6158 Ų5837%0.37432%0.322SS..SBendtrans-88.9165.4168.159.80000109.7Q1086 E1090 L1091 P1092 W1112Q1086-T1088 VanDerWaalsContact C-N 3.31Å; Q1086-T1088 HydrophobicContact CB-CG2 4.05Å; T1088-E1090 PolarHBondContact O-N 2.86Å; T1088-L1091 PolarHBondContact N-O 2.9Å; T1088-L1091 CarbonylContact O-C 3.53Å; T1088-L1091 PolarHBondContact O-N 2.89Å; T1088-L1091 PolarHBondContact OG1-N 2.87Å; T1088-L1091 VanDerWaalsContact OG1-N 3.11Å; T1088-P1092 VanDerWaalsContact O-CA 3.29Å; T1088-P1092 WeakPolarHBondContact O-CA 3.43Å; T1088-W1112 WeakPolarHBondContact O-CB 3.29Å
1089A90.8Very high79.7Confident50 Ų5056.2 Ų56.241%0.41330%0.304SS..SBendtrans-61.5-28.3177.800000112.6W1112A1089-W1112 HydrophobicContact CB-CD2 3.91Å; A1089-W1112 HydrophobicContact CB-CE3 4.41Å; A1089-W1112 HydrophobicContact CB-CG 4.05Å; A1089-W1112 HydrophobicContact CB-CZ2 4.46Å
1090E87.6Confident82.5Confident175 Ų17548.7 Ų48.782%0.81826%0.264SS*.SBendtrans-83.9-35.8178.8-61.117116700112.8T1088 P1092T1088-E1090 PolarHBondContact O-N 2.86Å; E1090-P1092 WeakPolarHBondContact O-CD 3.44Å
1091L89.4Confident84.7Confident58 Ų5849.5 Ų49.530%0.30427%0.269SS..SBendtrans-124.266.7177.6-64.3176.5000110.4Q1086 G1087 T1088Q1086-L1091 HydrophobicContact CB-CB 4.46Å; Q1086-L1091 PolarHBondContact N-O 2.82Å; Q1086-L1091 VanDerWaalsContact N-O 3.08Å; G1087-L1091 PolarHBondContact N-O 2.63Å; T1088-L1091 PolarHBondContact N-O 2.9Å; T1088-L1091 CarbonylContact O-C 3.53Å; T1088-L1091 PolarHBondContact O-N 2.89Å; T1088-L1091 PolarHBondContact OG1-N 2.87Å; T1088-L1091 VanDerWaalsContact OG1-N 3.11Å
1092P92.9Very high87.4Confident32 Ų3245.1 Ų45.121%0.20825%0.25CC..  trans-69.2147.4-178.929.5-36.2000111.2T1088 E1090 W1112 N1114 P1123T1088-P1092 VanDerWaalsContact O-CA 3.29Å; T1088-P1092 WeakPolarHBondContact O-CA 3.43Å; E1090-P1092 WeakPolarHBondContact O-CD 3.44Å; P1092-W1112 WeakPolarHBondContact CA-O 3.3Å; P1092-W1112 HydrophobicContact CB-CB 4.33Å; P1092-N1114 HydrophobicContact CG-CB 4.42Å; P1092-P1123 HydrophobicContact CB-CB 3.83Å; P1092-P1123 HydrophobicContact CG-CB 4.03Å
1093A92.6Very high89.6Confident1 Ų141.5 Ų41.51%0.00822%0.224CC..BIsolated β-bridgetrans-79171.616900000110.8P1085 L1099 W1112 I1113 N1114P1085-A1093 HydrophobicContact CB-CB 4.37Å; P1085-A1093 HydrophobicContact CG-CB 4.49Å; A1093-L1099 HydrophobicContact CB-CB 3.71Å; A1093-L1099 HydrophobicContact CB-CD1 4.21Å; A1093-L1099 HydrophobicContact CB-CG 4.36Å; A1093-W1112 PolarHBondContact N-O 2.85Å; A1093-I1113 HydrophobicContact CB-CG2 4.33Å; A1093-I1113 CarbonylContact O-C 3.57Å; A1093-I1113 WeakPolarHBondContact O-CA 3.3Å; A1093-I1113 WeakPolarHBondContact O-CB 3.32Å; A1093-N1114 PolarHBondContact O-N 3.34Å
1094R91.8Very high91.2Very high54 Ų5443.5 Ų43.520%0.20424%0.239CC..SBendtrans-74.1-44.1169.7-100.6-164.5167.6107.19.9111.7M1066 P1115 I1116M1066-R1094 VanDerWaalsContact CG-NH1 3.33Å; M1066-R1094 PolarHBondContact SD-NH1 2.91Å; R1094-P1115 PolarHBondContact NE-O 3.3Å; R1094-P1115 VanDerWaalsContact O-CA 3.31Å; R1094-P1115 WeakPolarHBondContact O-CA 3.46Å; R1094-I1116 PolarHBondContact NE-O 3.46Å; R1094-I1116 PolarHBondContact NH2-O 3.31Å
1095T94.5Very high91.9Very high17 Ų1749 Ų4910%0.10427%0.266CS..SBendtrans-148.9166.3-179.562.10000108.7A1097 H1098 L1099 L1180T1095-A1097 PolarHBondContact O-N 2.05Å; T1095-A1097 PolarHBondContact OG1-N 2.67Å; T1095-H1098 PolarHBondContact O-N 2.83Å; T1095-H1098 PolarHBondContact OG1-N 2.9Å; T1095-L1099 PolarHBondContact O-N 3Å; T1095-L1180 HydrophobicContact CG2-CD1 3.66Å
1096C96Very high92.3Very high0 Ų050.9 Ų50.90%027%0.273CS..Hα-helixtrans-63.5-27.4172.2-63.30000112.6L1099 A1100 C1128 E1134 T1135C1096-L1099 PolarHBondContact O-N 2.84Å; C1096-A1100 VanDerWaalsContact O-CB 3.3Å; C1096-A1100 WeakPolarHBondContact O-CB 3.49Å; C1096-A1100 PolarHBondContact O-N 3.05Å; C1096-C1128 VanDerWaalsContact CA-SG 3.6Å; C1096-C1128 HydrophobicContact CB-CB 3.47Å; C1096-C1128 VanDerWaalsContact CB-CB 3.47Å; C1096-C1128 WeakPolarHBondContact CB-SG 3.3Å; C1096-C1128 WeakPolarHBondContact SG-CA 3.12Å; C1096-C1128 WeakPolarHBondContact SG-CB 3.47Å; C1096-C1128 CovalentContact SG-SG 2.03Å; C1096-C1128 PolarHBondContact SG-SG 2.94Å; C1096-E1134 VanDerWaalsContact CB-O 3.3Å; C1096-E1134 WeakPolarHBondContact CB-O 3.35Å; C1096-T1135 WeakPolarHBondContact CB-OG1 3.29Å; C1096-T1135 PolarHBondContact N-OG1 3.41Å
1097A93.5Very high92.6Very high5 Ų552.4 Ų52.44%0.04129%0.288CS..Hα-helixtrans-64.1-48.7172.100000111.8T1095 L1099 A1100 D1101 K1133T1095-A1097 PolarHBondContact O-N 2.05Å; T1095-A1097 PolarHBondContact OG1-N 2.67Å; A1097-L1099 VanDerWaalsContact C-N 3.3Å; A1097-L1099 PolarHBondContact O-N 3.25Å; A1097-A1100 PolarHBondContact O-N 3.24Å; A1097-D1101 PolarHBondContact O-N 2.88Å; A1097-K1133 HydrophobicContact CB-CB 3.88Å
1098H91.8Very high92.8Very high40 Ų4055.6 Ų55.619%0.18530%0.304CS..Hα-helixtrans-60.5-40.7174.9-178.7-160.1000111.4T1095 D1101 M1102T1095-H1098 PolarHBondContact O-N 2.83Å; T1095-H1098 PolarHBondContact OG1-N 2.9Å; H1098-D1101 PolarHBondContact O-N 3.43Å; H1098-M1102 WeakPolarHBondContact O-CG 3.32Å; H1098-M1102 PolarHBondContact O-N 3.48Å; H1098-M1102 VanDerWaalsContact O-N 3.09Å
1099L93.9Very high92.9Very high0 Ų053.9 Ų53.90%030%0.299CS..Hα-helixtrans-63.6-42.4177-17356.7000112.4P1085 A1093 T1095 C1096 A1097 H1103 K1106 Y1111 M1130P1085-L1099 WeakPolarHBondContact O-CD1 3.34Å; A1093-L1099 HydrophobicContact CB-CB 3.71Å; A1093-L1099 HydrophobicContact CB-CD1 4.21Å; A1093-L1099 HydrophobicContact CB-CG 4.36Å; T1095-L1099 PolarHBondContact O-N 3Å; C1096-L1099 PolarHBondContact O-N 2.84Å; A1097-L1099 VanDerWaalsContact C-N 3.3Å; A1097-L1099 PolarHBondContact O-N 3.25Å; L1099-H1103 PolarHBondContact O-N 3.34Å; L1099-K1106 HydrophobicContact CD1-CD 4.42Å; L1099-Y1111 HydrophobicContact CD2-CD1 3.7Å; L1099-Y1111 HydrophobicContact CD2-CD2 4.18Å; L1099-Y1111 HydrophobicContact CD2-CE1 4.33Å; L1099-Y1111 HydrophobicContact CD2-CG 3.6Å; L1099-M1130 HydrophobicContact CB-CE 4.5Å; L1099-M1130 HydrophobicContact CD2-CE 3.49Å; L1099-M1130 VanDerWaalsContact CD2-CE 3.49Å; L1099-M1130 HydrophobicContact CG-CE 3.73Å; L1099-M1130 HydrophobicContact CG-SD 4.36Å
1100A93.7Very high93.2Very high5 Ų555.8 Ų55.84%0.04130%0.299CS..Hα-helixtrans-70.6-31.9177.100000113.2C1096 A1097 H1103 P1104 M1130 K1133C1096-A1100 VanDerWaalsContact O-CB 3.3Å; C1096-A1100 WeakPolarHBondContact O-CB 3.49Å; C1096-A1100 PolarHBondContact O-N 3.05Å; A1097-A1100 PolarHBondContact O-N 3.24Å; A1100-H1103 CarbonylContact O-C 3.58Å; A1100-P1104 VanDerWaalsContact O-CA 3.26Å; A1100-P1104 WeakPolarHBondContact O-CA 3.01Å; A1100-P1104 VanDerWaalsContact O-N 3.16Å; A1100-M1130 HydrophobicContact CB-CB 4.2Å; A1100-M1130 HydrophobicContact CB-SD 3.89Å; A1100-K1133 HydrophobicContact CB-CG 4.06Å
1101D90.9Very high93.7Very high90 Ų9049 Ų4948%0.48127%0.266SS..Hα-helixtrans-68-41.4173.9-76.4-33.8000111.9A1097 H1098 K1133A1097-D1101 PolarHBondContact O-N 2.88Å; H1098-D1101 PolarHBondContact O-N 3.43Å; D1101-K1133 IonicContact OD1-NZ 2.84Å; D1101-K1133 PolarHBondContact OD1-NZ 3.3Å
1102M91.2Very high94Very high71 Ų7150.3 Ų50.335%0.3527%0.267SS..Hα-helixtrans-79.5-28.1178.7-60.6-54.2-59.200112.8T1084 H1098T1084-M1102 HydrophobicContact CG2-CE 3.37Å; H1098-M1102 WeakPolarHBondContact O-CG 3.32Å; H1098-M1102 PolarHBondContact O-N 3.48Å; H1098-M1102 VanDerWaalsContact O-N 3.09Å
1103H92.8Very high94.1Very high38 Ų3848.8 Ų48.818%0.17626%0.257CS..  trans-135.973.2179.9-59.7-69000112.8T1084 Q1086 L1099 A1100 N1105 K1106T1084-H1103 PolarHBondContact OG1-CE1 3.2Å; T1084-H1103 PolarHBondContact OG1-NE2 3.16Å; Q1086-H1103 PolarHBondContact NE2-CE1 3.12Å; Q1086-H1103 VanDerWaalsContact NE2-CE1 3.27Å; Q1086-H1103 PolarHBondContact NE2-NE2 2.84Å; L1099-H1103 PolarHBondContact O-N 3.34Å; A1100-H1103 CarbonylContact O-C 3.58Å; H1103-N1105 PolarHBondContact O-N 3.04Å; H1103-K1106 HydrophobicContact CB-CB 4.47Å; H1103-K1106 HydrophobicContact CB-CD 3.96Å; H1103-K1106 HydrophobicContact CB-CG 3.86Å; H1103-K1106 PolarHBondContact O-N 3.06Å
1104P91.1Very high94.2Very high98 Ų9849 Ų4964%0.63626%0.258SS*.THydrogen-bonded Turntrans-58.3-20.2-176.6-26.935.7000115.6A1100A1100-P1104 VanDerWaalsContact O-CA 3.26Å; A1100-P1104 WeakPolarHBondContact O-CA 3.01Å; A1100-P1104 VanDerWaalsContact O-N 3.16Å
1105N92.5Very high94.2Very high162 Ų16246.8 Ų46.887%0.86625%0.251SS*.THydrogen-bonded Turntrans-93.20.2-178-63.7-11.6000113.8H1103H1103-N1105 PolarHBondContact O-N 3.04Å
1106K94.2Very high94Very high50 Ų5047.5 Ų47.522%0.21725%0.254CS..PPolyproline II helixtrans-70.3142.8175.4-79.8-168.4-172.3-155.20110.9Q1086 L1099 H1103 Y1111 M1130Q1086-K1106 PolarHBondContact O-NZ 2.79Å; L1099-K1106 HydrophobicContact CD1-CD 4.42Å; H1103-K1106 HydrophobicContact CB-CB 4.47Å; H1103-K1106 HydrophobicContact CB-CD 3.96Å; H1103-K1106 HydrophobicContact CB-CG 3.86Å; H1103-K1106 PolarHBondContact O-N 3.06Å; K1106-Y1111 HydrophobicContact CD-CE1 4.01Å; K1106-M1130 HydrophobicContact CB-CE 3.83Å; K1106-M1130 HydrophobicContact CB-CG 4.34Å; K1106-M1130 VanDerWaalsContact O-CG 3.32Å; K1106-M1130 WeakPolarHBondContact O-CG 3.25Å
1107P96.7Very high93.1Very high89 Ų8948.9 Ų48.958%0.57827%0.268SS*.PPolyproline II helixtrans-73.4157.9176.931.1-35.5000111.5Y1111 M1130P1107-Y1111 WeakPolarHBondContact CD-OH 3.45Å; P1107-Y1111 WeakPolarHBondContact O-CE2 3.28Å; P1107-Y1111 PolarHBondContact O-OH 3.3Å; P1107-M1130 WeakPolarHBondContact O-CG 3.39Å
1108D97.2Very high92.5Very high72 Ų7251.4 Ų51.439%0.38528%0.281SS..SBendtrans-59.2133.7164.4-51.5-44.1000108.8C1128 R1129 M1130 K1131D1108-C1128 CarbonylContact C-O 3.59Å; D1108-C1128 VanDerWaalsContact CA-O 3.27Å; D1108-C1128 WeakPolarHBondContact CA-O 3.45Å; D1108-R1129 VanDerWaalsContact OD1-C 3.28Å; D1108-R1129 VanDerWaalsContact OD1-CA 3.3Å; D1108-R1129 WeakPolarHBondContact OD1-CA 3.23Å; D1108-M1130 PolarHBondContact OD1-N 3.37Å; D1108-K1131 PolarHBondContact OD1-N 3.36Å; D1108-K1131 IonicContact OD2-NZ 2.7Å
1109G96.2Very high91.5Very high25 Ų2555.1 Ų55.126%0.25830%0.301SS..EExtended strand (participates in β ladder)trans171.6-173.5-169.600000114.1Y1111 S1127 C1128G1109-Y1111 VanDerWaalsContact O-CD2 3.29Å; G1109-Y1111 WeakPolarHBondContact O-CD2 3Å; G1109-S1127 CarbonylContact O-C 3.43Å; G1109-C1128 PolarHBondContact N-O 3.25Å; G1109-C1128 PolarHBondContact O-N 2.68Å
1110E97.4Very high90.4Very high90 Ų9062.6 Ų62.642%0.42134%0.339SS..EExtended strand (participates in β ladder)trans-92129.1178.5-62.7-167.9158.700112.8K1125 V1126 K1138E1110-K1125 VanDerWaalsContact OE2-CE 3.3Å; E1110-K1125 WeakPolarHBondContact OE2-CE 3.49Å; E1110-K1125 IonicContact OE2-NZ 3.57Å; E1110-K1125 PolarHBondContact OE2-NZ 3.16Å; E1110-V1126 CarbonylContact C-O 3.43Å; E1110-V1126 VanDerWaalsContact CA-O 3.28Å; E1110-V1126 WeakPolarHBondContact CA-O 3.46Å; E1110-K1138 IonicContact OE1-NZ 2.71Å; E1110-K1138 PolarHBondContact OE1-NZ 3.26Å
1111Y97.3Very high89.7Confident31 Ų3164 Ų6412%0.12235%0.349CS..EExtended strand (participates in β ladder)trans-140165.8-178-60.2-90.1000110.8L1099 K1106 P1107 G1109 K1125 V1126 C1128 M1130L1099-Y1111 HydrophobicContact CD2-CD1 3.7Å; L1099-Y1111 HydrophobicContact CD2-CD2 4.18Å; L1099-Y1111 HydrophobicContact CD2-CE1 4.33Å; L1099-Y1111 HydrophobicContact CD2-CG 3.6Å; K1106-Y1111 HydrophobicContact CD-CE1 4.01Å; P1107-Y1111 WeakPolarHBondContact CD-OH 3.45Å; P1107-Y1111 WeakPolarHBondContact O-CE2 3.28Å; P1107-Y1111 PolarHBondContact O-OH 3.3Å; G1109-Y1111 VanDerWaalsContact O-CD2 3.29Å; G1109-Y1111 WeakPolarHBondContact O-CD2 3Å; Y1111-K1125 CarbonylContact O-C 3.2Å; Y1111-K1125 WeakPolarHBondContact O-CA 3.32Å; Y1111-V1126 PolarHBondContact N-O 3.04Å; Y1111-V1126 WeakPolarHBondContact O-CG2 3.27Å; Y1111-V1126 PolarHBondContact O-N 2.82Å; Y1111-C1128 HydrophobicContact CD2-CB 3.65Å; Y1111-C1128 HydrophobicContact CE2-CB 4.12Å; Y1111-M1130 HydrophobicContact CD1-CE 4.39Å; Y1111-M1130 HydrophobicContact CD2-CE 3.65Å; Y1111-M1130 HydrophobicContact CE1-CE 4.03Å; Y1111-M1130 HydrophobicContact CE2-CE 3.21Å; Y1111-M1130 HydrophobicContact CG-CE 4.21Å; Y1111-M1130 VanDerWaalsContact CZ-CE 3.42Å
1112W95.8Very high89.6Confident87 Ų8764.3 Ų64.333%0.3336%0.358SS..EExtended strand (participates in β ladder)trans-100.5137.4178-63.885.9000111.6G1087 T1088 A1089 P1092 A1093 P1123 T1124 K1125G1087-W1112 WeakPolarHBondContact CA-O 3.34Å; G1087-W1112 PolarHBondContact O-N 3.08Å; T1088-W1112 WeakPolarHBondContact O-CB 3.29Å; A1089-W1112 HydrophobicContact CB-CD2 3.91Å; A1089-W1112 HydrophobicContact CB-CE3 4.41Å; A1089-W1112 HydrophobicContact CB-CG 4.05Å; A1089-W1112 HydrophobicContact CB-CZ2 4.46Å; P1092-W1112 WeakPolarHBondContact CA-O 3.3Å; P1092-W1112 HydrophobicContact CB-CB 4.33Å; A1093-W1112 PolarHBondContact N-O 2.85Å; W1112-P1123 HydrophobicContact CB-CB 4.41Å; W1112-P1123 HydrophobicContact CE3-CB 4.2Å; W1112-P1123 HydrophobicContact CE3-CG 4.15Å; W1112-P1123 VanDerWaalsContact CE3-O 3.27Å; W1112-P1123 VanDerWaalsContact CZ3-O 3.26Å; W1112-P1123 WeakPolarHBondContact CZ3-O 3.46Å; W1112-T1124 WeakPolarHBondContact CA-O 3.29Å; W1112-K1125 HydrophobicContact CD2-CB 4Å; W1112-K1125 HydrophobicContact CD2-CG 4.1Å; W1112-K1125 HydrophobicContact CE3-CB 3.92Å; W1112-K1125 HydrophobicContact CH2-CB 4.07Å; W1112-K1125 HydrophobicContact CZ2-CB 4.13Å; W1112-K1125 HydrophobicContact CZ2-CD 4.1Å; W1112-K1125 HydrophobicContact CZ2-CG 4.16Å; W1112-K1125 HydrophobicContact CZ3-CB 3.96Å
1113I94.7Very high89.6Confident0 Ų062.7 Ų62.70%035%0.352CS..EExtended strand (participates in β ladder)trans-132.6152176.264.7168.4000112.1A1093 P1115 P1123 T1124 V1126 T1135A1093-I1113 HydrophobicContact CB-CG2 4.33Å; A1093-I1113 CarbonylContact O-C 3.57Å; A1093-I1113 WeakPolarHBondContact O-CA 3.3Å; A1093-I1113 WeakPolarHBondContact O-CB 3.32Å; I1113-P1115 HydrophobicContact CD1-CG 3.96Å; I1113-P1115 HydrophobicContact CG1-CG 4.43Å; I1113-P1123 CarbonylContact O-C 3.6Å; I1113-P1123 VanDerWaalsContact O-CA 3.25Å; I1113-P1123 WeakPolarHBondContact O-CA 3.19Å; I1113-P1123 WeakPolarHBondContact O-CB 3.41Å; I1113-T1124 PolarHBondContact N-O 3.26Å; I1113-T1124 PolarHBondContact O-N 2.94Å; I1113-V1126 HydrophobicContact CB-CG2 4.44Å; I1113-V1126 HydrophobicContact CD1-CB 4.44Å; I1113-V1126 HydrophobicContact CD1-CG1 3.76Å; I1113-V1126 HydrophobicContact CD1-CG2 3.88Å; I1113-V1126 HydrophobicContact CG1-CG1 3.91Å; I1113-V1126 HydrophobicContact CG1-CG2 3.82Å; I1113-V1126 HydrophobicContact CG2-CG2 3.85Å; I1113-T1135 HydrophobicContact CD1-CG2 3.52Å
1114N94.3Very high89.7Confident6 Ų661.6 Ų61.63%0.03235%0.349CS..  trans-126.299.9159.9179.81.6000108.7P1092 A1093 I1116 G1117 D1118 S1121 Q1176P1092-N1114 HydrophobicContact CG-CB 4.42Å; A1093-N1114 PolarHBondContact O-N 3.34Å; N1114-I1116 VanDerWaalsContact C-N 3.27Å; N1114-I1116 PolarHBondContact O-N 2.66Å; N1114-I1116 WeakPolarHBondContact OD1-CB 3.47Å; N1114-I1116 PolarHBondContact OD1-N 2.95Å; N1114-I1116 VanDerWaalsContact OD1-N 3.11Å; N1114-G1117 PolarHBondContact ND2-N 3.17Å; N1114-G1117 WeakPolarHBondContact O-CA 3.45Å; N1114-G1117 PolarHBondContact O-N 3.22Å; N1114-G1117 VanDerWaalsContact O-N 3.11Å; N1114-G1117 PolarHBondContact OD1-N 2.74Å; N1114-D1118 PolarHBondContact ND2-N 3.38Å; N1114-D1118 PolarHBondContact ND2-O 3.08Å; N1114-D1118 PolarHBondContact ND2-OD1 2.78Å; N1114-S1121 PolarHBondContact ND2-O 3.29Å; N1114-Q1176 PolarHBondContact OD1-NE2 3.33Å; N1114-Q1176 VanDerWaalsContact OD1-NE2 3.14Å
1115P93Very high90Very high7 Ų761.7 Ų61.75%0.04534%0.339CS..SBendtrans-57.9-36178.8-27.636.6000114R1094 I1113 Q1176 F1179 L1180R1094-P1115 PolarHBondContact NE-O 3.3Å; R1094-P1115 VanDerWaalsContact O-CA 3.31Å; R1094-P1115 WeakPolarHBondContact O-CA 3.46Å; I1113-P1115 HydrophobicContact CD1-CG 3.96Å; I1113-P1115 HydrophobicContact CG1-CG 4.43Å; P1115-Q1176 WeakPolarHBondContact CB-O 3.27Å; P1115-Q1176 HydrophobicContact CG-CB 4.2Å; P1115-F1179 HydrophobicContact CB-CB 3.78Å; P1115-L1180 HydrophobicContact CB-CB 4.36Å; P1115-L1180 HydrophobicContact CG-CB 4.2Å
1116I89Confident90.2Very high32 Ų3254.2 Ų54.216%0.16430%0.299CS..SBendtrans-65.7-46.7176.6-59165.3000108.5R1094 N1114 D1118 S1121 E1175 Q1176 F1179R1094-I1116 PolarHBondContact NE-O 3.46Å; R1094-I1116 PolarHBondContact NH2-O 3.31Å; N1114-I1116 VanDerWaalsContact C-N 3.27Å; N1114-I1116 PolarHBondContact O-N 2.66Å; N1114-I1116 WeakPolarHBondContact OD1-CB 3.47Å; N1114-I1116 PolarHBondContact OD1-N 2.95Å; N1114-I1116 VanDerWaalsContact OD1-N 3.11Å; I1116-D1118 WeakPolarHBondContact CB-OD1 3.32Å; I1116-D1118 HydrophobicContact CG2-CB 4.09Å; I1116-D1118 WeakPolarHBondContact CG2-OD1 3.46Å; I1116-S1121 WeakPolarHBondContact CD1-OG 3.39Å; I1116-E1175 HydrophobicContact CD1-CB 4.07Å; I1116-Q1176 HydrophobicContact CD1-CG 3.66Å; I1116-Q1176 HydrophobicContact CG1-CG 4.09Å; I1116-F1179 HydrophobicContact CB-CD1 4.43Å; I1116-F1179 HydrophobicContact CB-CG 4.47Å; I1116-F1179 HydrophobicContact CG1-CB 4.18Å; I1116-F1179 HydrophobicContact CG1-CD1 4.2Å; I1116-F1179 HydrophobicContact CG1-CD2 3.69Å; I1116-F1179 HydrophobicContact CG1-CE2 4.05Å; I1116-F1179 HydrophobicContact CG1-CG 3.76Å; I1116-F1179 HydrophobicContact CG1-CZ 4.45Å; I1116-F1179 HydrophobicContact CG2-CE1 4.38Å; I1116-F1179 HydrophobicContact CG2-CZ 4.32Å
1117G78.7Confident90.3Very high29 Ų2953 Ų5330%0.29930%0.297SS..  trans74.434.3176.900000112.9N1114N1114-G1117 PolarHBondContact ND2-N 3.17Å; N1114-G1117 WeakPolarHBondContact O-CA 3.45Å; N1114-G1117 PolarHBondContact O-N 3.22Å; N1114-G1117 VanDerWaalsContact O-N 3.11Å; N1114-G1117 PolarHBondContact OD1-N 2.74Å
1118D79.4Confident90.3Very high57 Ų5748.8 Ų48.831%0.30527%0.269SS..  trans-96.5-177.5166.368.6-45.4000110.9N1114 I1116 I1120 S1121N1114-D1118 PolarHBondContact ND2-N 3.38Å; N1114-D1118 PolarHBondContact ND2-O 3.08Å; N1114-D1118 PolarHBondContact ND2-OD1 2.78Å; I1116-D1118 WeakPolarHBondContact CB-OD1 3.32Å; I1116-D1118 HydrophobicContact CG2-CB 4.09Å; I1116-D1118 WeakPolarHBondContact CG2-OD1 3.46Å; D1118-I1120 WeakPolarHBondContact OD2-CA 3.06Å; D1118-I1120 WeakPolarHBondContact OD2-CB 3.49Å; D1118-I1120 PolarHBondContact OD2-N 3.05Å; D1118-I1120 VanDerWaalsContact OD2-N 3.07Å; D1118-S1121 VanDerWaalsContact CG-OG 3.29Å; D1118-S1121 WeakPolarHBondContact OD1-CB 3.43Å; D1118-S1121 PolarHBondContact OD1-OG 2.99Å; D1118-S1121 PolarHBondContact OD2-N 3.02Å; D1118-S1121 PolarHBondContact OD2-OG 2.71Å
1119I72.5Confident90.2Very high118 Ų11848.6 Ų48.661%0.60526%0.264SS*.SBendtrans-99.1-12.5177.2-76.2172.9000112.4
1120I69.8Low90.1Very high157 Ų15748 Ų4881%0.80525%0.254SS*.SBendtrans-90.2-40.9-172.6-56.9169.4000110.8D1118 S1122D1118-I1120 WeakPolarHBondContact OD2-CA 3.06Å; D1118-I1120 WeakPolarHBondContact OD2-CB 3.49Å; D1118-I1120 PolarHBondContact OD2-N 3.05Å; D1118-I1120 VanDerWaalsContact OD2-N 3.07Å; I1120-S1122 PolarHBondContact O-N 3.21Å
1121S79.2Confident89.8Confident35 Ų3552.2 Ų52.225%0.24527%0.271CS..SBendtrans-71.4119179.3-49.30000111.3N1114 I1116 D1118N1114-S1121 PolarHBondContact ND2-O 3.29Å; I1116-S1121 WeakPolarHBondContact CD1-OG 3.39Å; D1118-S1121 VanDerWaalsContact CG-OG 3.29Å; D1118-S1121 WeakPolarHBondContact OD1-CB 3.43Å; D1118-S1121 PolarHBondContact OD1-OG 2.99Å; D1118-S1121 PolarHBondContact OD2-N 3.02Å; D1118-S1121 PolarHBondContact OD2-OG 2.71Å
1122S88Confident89.6Confident97 Ų9752.9 Ų52.968%0.67828%0.278SS*.PPolyproline II helixtrans-53.1132.6172.5-59.90000110.7I1120 Q1176I1120-S1122 PolarHBondContact O-N 3.21Å; S1122-Q1176 PolarHBondContact O-NE2 3.42Å
1123P92.6Very high89.5Confident36 Ų3651.6 Ų51.623%0.23428%0.275CS..PPolyproline II helixtrans-66.9142.4177.127.7-33.5000110.7P1092 W1112 I1113P1092-P1123 HydrophobicContact CB-CB 3.83Å; P1092-P1123 HydrophobicContact CG-CB 4.03Å; W1112-P1123 HydrophobicContact CB-CB 4.41Å; W1112-P1123 HydrophobicContact CE3-CB 4.2Å; W1112-P1123 HydrophobicContact CE3-CG 4.15Å; W1112-P1123 VanDerWaalsContact CE3-O 3.27Å; W1112-P1123 VanDerWaalsContact CZ3-O 3.26Å; W1112-P1123 WeakPolarHBondContact CZ3-O 3.46Å; I1113-P1123 CarbonylContact O-C 3.6Å; I1113-P1123 VanDerWaalsContact O-CA 3.25Å; I1113-P1123 WeakPolarHBondContact O-CA 3.19Å; I1113-P1123 WeakPolarHBondContact O-CB 3.41Å
1124T94.5Very high89.5Confident16 Ų1651.9 Ų51.910%0.09828%0.276CS..EExtended strand (participates in β ladder)trans-94.5137.2176-73.90000110.5W1112 I1113 V1126 G1171 I1172 Q1176W1112-T1124 WeakPolarHBondContact CA-O 3.29Å; I1113-T1124 PolarHBondContact N-O 3.26Å; I1113-T1124 PolarHBondContact O-N 2.94Å; T1124-V1126 HydrophobicContact CG2-CG1 3.98Å; T1124-G1171 WeakPolarHBondContact CG2-O 3.34Å; T1124-I1172 HydrophobicContact CG2-CB 4.05Å; T1124-I1172 HydrophobicContact CG2-CD1 4.37Å; T1124-I1172 HydrophobicContact CG2-CG1 4.04Å; T1124-Q1176 PolarHBondContact OG1-OE1 3.25Å
1125K96.2Very high89.6Confident100 Ų10051.7 Ų51.744%0.43528%0.275SS..EExtended strand (participates in β ladder)trans-83.2125.1172.6-156.7-169.2-167.6-1590110.3E1110 Y1111 W1112E1110-K1125 VanDerWaalsContact OE2-CE 3.3Å; E1110-K1125 WeakPolarHBondContact OE2-CE 3.49Å; E1110-K1125 IonicContact OE2-NZ 3.57Å; E1110-K1125 PolarHBondContact OE2-NZ 3.16Å; Y1111-K1125 CarbonylContact O-C 3.2Å; Y1111-K1125 WeakPolarHBondContact O-CA 3.32Å; W1112-K1125 HydrophobicContact CD2-CB 4Å; W1112-K1125 HydrophobicContact CD2-CG 4.1Å; W1112-K1125 HydrophobicContact CE3-CB 3.92Å; W1112-K1125 HydrophobicContact CH2-CB 4.07Å; W1112-K1125 HydrophobicContact CZ2-CB 4.13Å; W1112-K1125 HydrophobicContact CZ2-CD 4.1Å; W1112-K1125 HydrophobicContact CZ2-CG 4.16Å; W1112-K1125 HydrophobicContact CZ3-CB 3.96Å
1126V97.1Very high89.9Confident4 Ų451.3 Ų51.32%0.02427%0.273CS..EExtended strand (participates in β ladder)trans-129.7160.8-176.5-66.40000111.3E1110 Y1111 I1113 T1124 T1135 I1137E1110-V1126 CarbonylContact C-O 3.43Å; E1110-V1126 VanDerWaalsContact CA-O 3.28Å; E1110-V1126 WeakPolarHBondContact CA-O 3.46Å; Y1111-V1126 PolarHBondContact N-O 3.04Å; Y1111-V1126 WeakPolarHBondContact O-CG2 3.27Å; Y1111-V1126 PolarHBondContact O-N 2.82Å; I1113-V1126 HydrophobicContact CB-CG2 4.44Å; I1113-V1126 HydrophobicContact CD1-CB 4.44Å; I1113-V1126 HydrophobicContact CD1-CG1 3.76Å; I1113-V1126 HydrophobicContact CD1-CG2 3.88Å; I1113-V1126 HydrophobicContact CG1-CG1 3.91Å; I1113-V1126 HydrophobicContact CG1-CG2 3.82Å; I1113-V1126 HydrophobicContact CG2-CG2 3.85Å; T1124-V1126 HydrophobicContact CG2-CG1 3.98Å; V1126-T1135 HydrophobicContact CB-CG2 4.27Å; V1126-T1135 HydrophobicContact CG1-CG2 4.17Å; V1126-T1135 HydrophobicContact CG2-CG2 4.16Å; V1126-I1137 HydrophobicContact CG1-CG1 3.88Å
1127S97.3Very high90.3Very high25 Ų2549.9 Ų49.918%0.17527%0.266CS..EExtended strand (participates in β ladder)trans-89.2117.2167-1780000109.2G1109 C1136G1109-S1127 CarbonylContact O-C 3.43Å; S1127-C1136 PolarHBondContact N-O 2.95Å; S1127-C1136 WeakPolarHBondContact O-CA 3.3Å; S1127-C1136 WeakPolarHBondContact O-CB 3.46Å; S1127-C1136 PolarHBondContact O-N 3.06Å
1128C96.9Very high91Very high0 Ų053.1 Ų53.10%027%0.271CS..EExtended strand (participates in β ladder)trans-95.7129.6174.5-64.20000110.9C1096 D1108 G1109 Y1111 M1130C1096-C1128 VanDerWaalsContact CA-SG 3.6Å; C1096-C1128 HydrophobicContact CB-CB 3.47Å; C1096-C1128 VanDerWaalsContact CB-CB 3.47Å; C1096-C1128 WeakPolarHBondContact CB-SG 3.3Å; C1096-C1128 WeakPolarHBondContact SG-CA 3.12Å; C1096-C1128 WeakPolarHBondContact SG-CB 3.47Å; C1096-C1128 CovalentContact SG-SG 2.03Å; C1096-C1128 PolarHBondContact SG-SG 2.94Å; D1108-C1128 CarbonylContact C-O 3.59Å; D1108-C1128 VanDerWaalsContact CA-O 3.27Å; D1108-C1128 WeakPolarHBondContact CA-O 3.45Å; G1109-C1128 PolarHBondContact N-O 3.25Å; G1109-C1128 PolarHBondContact O-N 2.68Å; Y1111-C1128 HydrophobicContact CD2-CB 3.65Å; Y1111-C1128 HydrophobicContact CE2-CB 4.12Å; C1128-M1130 HydrophobicContact CB-CE 3.88Å; C1128-M1130 HydrophobicContact CB-SD 3.95Å
1129R95.5Very high91.8Very high69 Ų6951 Ų5126%0.2626%0.261SS..EExtended strand (participates in β ladder)trans-101.896.3162-57.6175.7-178.5154.52107.6D1108 K1131 T1132 K1133 E1134D1108-R1129 VanDerWaalsContact OD1-C 3.28Å; D1108-R1129 VanDerWaalsContact OD1-CA 3.3Å; D1108-R1129 WeakPolarHBondContact OD1-CA 3.23Å; R1129-K1131 VanDerWaalsContact C-N 3.25Å; R1129-K1131 PolarHBondContact O-N 2.9Å; R1129-T1132 WeakPolarHBondContact CB-OG1 3.47Å; R1129-T1132 PolarHBondContact O-N 2.94Å; R1129-K1133 VanDerWaalsContact O-CA 3.32Å; R1129-K1133 WeakPolarHBondContact O-CA 3.43Å; R1129-K1133 PolarHBondContact O-N 2.98Å; R1129-E1134 HydrophobicContact CB-CB 4.21Å; R1129-E1134 WeakPolarHBondContact CD-OE2 3.45Å; R1129-E1134 IonicContact CZ-OE2 2.96Å; R1129-E1134 PolarHBondContact N-O 3.14Å; R1129-E1134 IonicContact NE-OE2 3.16Å; R1129-E1134 IonicContact NH1-OE2 3.24Å; R1129-E1134 PolarHBondContact NH1-OE2 3.08Å; R1129-E1134 PolarHBondContact O-N 2.89Å; R1129-E1134 VanDerWaalsContact O-N 3.17Å
1130M94.1Very high92.7Very high11 Ų1151.1 Ų51.15%0.05426%0.257CS..THydrogen-bonded Turntrans-61.4-36.5-175.2-58.9-58.3-169.900111.5L1099 A1100 K1106 P1107 D1108 Y1111 C1128 T1132 K1133L1099-M1130 HydrophobicContact CB-CE 4.5Å; L1099-M1130 HydrophobicContact CD2-CE 3.49Å; L1099-M1130 VanDerWaalsContact CD2-CE 3.49Å; L1099-M1130 HydrophobicContact CG-CE 3.73Å; L1099-M1130 HydrophobicContact CG-SD 4.36Å; A1100-M1130 HydrophobicContact CB-CB 4.2Å; A1100-M1130 HydrophobicContact CB-SD 3.89Å; K1106-M1130 HydrophobicContact CB-CE 3.83Å; K1106-M1130 HydrophobicContact CB-CG 4.34Å; K1106-M1130 VanDerWaalsContact O-CG 3.32Å; K1106-M1130 WeakPolarHBondContact O-CG 3.25Å; P1107-M1130 WeakPolarHBondContact O-CG 3.39Å; D1108-M1130 PolarHBondContact OD1-N 3.37Å; Y1111-M1130 HydrophobicContact CD1-CE 4.39Å; Y1111-M1130 HydrophobicContact CD2-CE 3.65Å; Y1111-M1130 HydrophobicContact CE1-CE 4.03Å; Y1111-M1130 HydrophobicContact CE2-CE 3.21Å; Y1111-M1130 HydrophobicContact CG-CE 4.21Å; Y1111-M1130 VanDerWaalsContact CZ-CE 3.42Å; C1128-M1130 HydrophobicContact CB-CE 3.88Å; C1128-M1130 HydrophobicContact CB-SD 3.95Å; M1130-T1132 PolarHBondContact O-N 3.22Å; M1130-K1133 PolarHBondContact O-N 3.12Å
1131K91.1Very high93.6Very high180 Ų18048.8 Ų48.878%0.78324%0.243SC*.THydrogen-bonded Turntrans-65.3-35.3-179.3-69.3172.8-177.4160.60114.2D1108 R1129D1108-K1131 PolarHBondContact OD1-N 3.36Å; D1108-K1131 IonicContact OD2-NZ 2.7Å; R1129-K1131 VanDerWaalsContact C-N 3.25Å; R1129-K1131 PolarHBondContact O-N 2.9Å
1132T91.2Very high94.1Very high44 Ų4449.6 Ų49.627%0.2725%0.252SS..THydrogen-bonded Turntrans-106.41.3178.656.90000113.2R1129 M1130 E1134 T1283R1129-T1132 WeakPolarHBondContact CB-OG1 3.47Å; R1129-T1132 PolarHBondContact O-N 2.94Å; M1130-T1132 PolarHBondContact O-N 3.22Å; T1132-E1134 WeakPolarHBondContact CB-OE1 3.16Å; T1132-E1134 PolarHBondContact O-N 2.93Å; T1132-E1134 WeakPolarHBondContact OG1-CG 3.41Å; T1132-E1134 PolarHBondContact OG1-OE1 3.03Å; T1132-T1283 PolarHBondContact O-OG1 3.47Å; T1132-T1283 VanDerWaalsContact O-OG1 3.09Å
1133K93.6Very high94.3Very high60 Ų6050.9 Ų50.926%0.26125%0.245SC..THydrogen-bonded Turntrans57.424-177.4-59.1-171.4-177-179.60113.7A1097 A1100 D1101 R1129 M1130A1097-K1133 HydrophobicContact CB-CB 3.88Å; A1100-K1133 HydrophobicContact CB-CG 4.06Å; D1101-K1133 IonicContact OD1-NZ 2.84Å; D1101-K1133 PolarHBondContact OD1-NZ 3.3Å; R1129-K1133 VanDerWaalsContact O-CA 3.32Å; R1129-K1133 WeakPolarHBondContact O-CA 3.43Å; R1129-K1133 PolarHBondContact O-N 2.98Å; M1130-K1133 PolarHBondContact O-N 3.12Å
1134E95.5Very high94Very high6 Ų649.5 Ų49.53%0.02824%0.236CC..EExtended strand (participates in β ladder)trans-79.4134.5-179.7-71.6161.8-128.800111.8C1096 R1129 T1132 C1281 Y1282 T1283 F1289C1096-E1134 VanDerWaalsContact CB-O 3.3Å; C1096-E1134 WeakPolarHBondContact CB-O 3.35Å; R1129-E1134 HydrophobicContact CB-CB 4.21Å; R1129-E1134 WeakPolarHBondContact CD-OE2 3.45Å; R1129-E1134 IonicContact CZ-OE2 2.96Å; R1129-E1134 PolarHBondContact N-O 3.14Å; R1129-E1134 IonicContact NE-OE2 3.16Å; R1129-E1134 IonicContact NH1-OE2 3.24Å; R1129-E1134 PolarHBondContact NH1-OE2 3.08Å; R1129-E1134 PolarHBondContact O-N 2.89Å; R1129-E1134 VanDerWaalsContact O-N 3.17Å; T1132-E1134 WeakPolarHBondContact CB-OE1 3.16Å; T1132-E1134 PolarHBondContact O-N 2.93Å; T1132-E1134 WeakPolarHBondContact OG1-CG 3.41Å; T1132-E1134 PolarHBondContact OG1-OE1 3.03Å; E1134-C1281 HydrophobicContact CB-CB 4.28Å; E1134-C1281 HydrophobicContact CG-CB 4.4Å; E1134-Y1282 CarbonylContact C-O 3.45Å; E1134-Y1282 WeakPolarHBondContact CA-O 3.4Å; E1134-T1283 HydrophobicContact CG-CG2 4.2Å; E1134-F1289 HydrophobicContact CG-CZ 4.21Å
1135T97.4Very high93.4Very high2 Ų252.2 Ų52.21%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-99.9100.7168.7-53.30000108.3C1096 I1113 V1126 L1180 C1281 Y1282C1096-T1135 WeakPolarHBondContact CB-OG1 3.29Å; C1096-T1135 PolarHBondContact N-OG1 3.41Å; I1113-T1135 HydrophobicContact CD1-CG2 3.52Å; V1126-T1135 HydrophobicContact CB-CG2 4.27Å; V1126-T1135 HydrophobicContact CG1-CG2 4.17Å; V1126-T1135 HydrophobicContact CG2-CG2 4.16Å; T1135-L1180 HydrophobicContact CG2-CD1 3.89Å; T1135-L1180 HydrophobicContact CG2-CD2 3.75Å; T1135-C1281 WeakPolarHBondContact O-CA 3.33Å; T1135-Y1282 PolarHBondContact N-O 3.42Å; T1135-Y1282 PolarHBondContact O-N 3.37Å
1136C97.6Very high92.3Very high0 Ų048 Ų480%024%0.237CC..EExtended strand (participates in β ladder)trans-100123-176.7-61.80000111.6S1127 D1279 V1280 C1281S1127-C1136 PolarHBondContact N-O 2.95Å; S1127-C1136 WeakPolarHBondContact O-CA 3.3Å; S1127-C1136 WeakPolarHBondContact O-CB 3.46Å; S1127-C1136 PolarHBondContact O-N 3.06Å; C1136-D1279 HydrophobicContact CB-CB 4.07Å; C1136-V1280 CarbonylContact C-O 3.56Å; C1136-V1280 WeakPolarHBondContact CA-O 3.31Å; C1136-C1281 HydrophobicContact CB-CB 4.16Å; C1136-C1281 WeakPolarHBondContact CB-SG 3.29Å; C1136-C1281 WeakPolarHBondContact SG-CB 3.35Å; C1136-C1281 CovalentContact SG-SG 2.05Å; C1136-C1281 PolarHBondContact SG-SG 2.73Å
1137I97.4Very high90.7Very high2 Ų251.8 Ų51.81%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-106129.9177.9-62.4149.5000109V1126 I1172 L1177 L1180 D1279 V1280 Y1282V1126-I1137 HydrophobicContact CG1-CG1 3.88Å; I1137-I1172 HydrophobicContact CD1-CB 4.33Å; I1137-I1172 HydrophobicContact CD1-CD1 3.63Å; I1137-I1172 HydrophobicContact CD1-CG2 4.05Å; I1137-I1172 HydrophobicContact CG1-CD1 4.31Å; I1137-I1172 HydrophobicContact CG2-CB 4.15Å; I1137-I1172 HydrophobicContact CG2-CG2 3.94Å; I1137-L1177 HydrophobicContact CD1-CD1 4.3Å; I1137-L1180 HydrophobicContact CD1-CD2 3.45Å; I1137-L1180 VanDerWaalsContact CD1-CD2 3.45Å; I1137-L1180 HydrophobicContact CG1-CD2 4.43Å; I1137-D1279 VanDerWaalsContact O-CA 3.28Å; I1137-D1279 WeakPolarHBondContact O-CA 3.2Å; I1137-V1280 HydrophobicContact CB-CG1 3.96Å; I1137-V1280 PolarHBondContact N-O 3.4Å; I1137-V1280 PolarHBondContact O-N 2.99Å; I1137-Y1282 HydrophobicContact CD1-CD2 4.18Å; I1137-Y1282 HydrophobicContact CD1-CE2 3.96Å
1138K95.1Very high88.5Confident96 Ų9658.5 Ų58.542%0.41728%0.284SS..  trans-79.3143.3179.1-68.5175175.1177.80111.3E1110 G1171E1110-K1138 IonicContact OE1-NZ 2.71Å; E1110-K1138 PolarHBondContact OE1-NZ 3.26Å; K1138-G1171 PolarHBondContact O-N 3.01Å
1139P94.5Very high86.5Confident14 Ų1460.1 Ų60.19%0.09129%0.292CS..BIsolated β-bridgetrans-65.3146.1166.229.4-34.8000110.5Q1141 A1142 Y1170 L1277P1139-Q1141 PolarHBondContact O-N 2.71Å; P1139-A1142 HydrophobicContact CG-CB 4.11Å; P1139-Y1170 HydrophobicContact CB-CD1 4Å; P1139-Y1170 HydrophobicContact CB-CE1 3.85Å; P1139-L1277 HydrophobicContact CB-CB 4.06Å; P1139-L1277 HydrophobicContact CB-CD1 4.28Å; P1139-L1277 HydrophobicContact CG-CB 3.82Å
1140K92Very high84.5Confident120 Ų12067.6 Ų67.652%0.52232%0.32SS..SBendtrans-67.5-26.1173.7-74.6173179.9146.10111.9N1169 Y1170K1140-N1169 HydrophobicContact CD-CB 4.23Å; K1140-N1169 WeakPolarHBondContact CD-OD1 2.97Å; K1140-N1169 PolarHBondContact N-O 3Å; K1140-N1169 PolarHBondContact NZ-OD1 3.39Å; K1140-Y1170 WeakPolarHBondContact CE-O 3.18Å; K1140-Y1170 PolarHBondContact NZ-O 2.95Å
1141Q89.5Confident82.4Confident107 Ų10769.5 Ų69.550%0.533%0.334SS..  trans-127.2102.1171.1-62.7-17611.400109.4P1139 K1143 I1144P1139-Q1141 PolarHBondContact O-N 2.71Å; Q1141-K1143 VanDerWaalsContact C-N 3.33Å; Q1141-I1144 HydrophobicContact CB-CD1 4.47Å; Q1141-I1144 HydrophobicContact CB-CG1 4.32Å
1142A90.2Very high80.5Confident53 Ų5365 Ų6544%0.43832%0.321SS..SBendtrans-78-14.9-177.700000114.4P1139 I1276 L1277P1139-A1142 HydrophobicContact CG-CB 4.11Å; A1142-I1276 WeakPolarHBondContact O-CA 2.98Å; A1142-L1277 PolarHBondContact O-N 3.49Å
1143K90.9Very high78.5Confident123 Ų12374.5 Ų74.554%0.53535%0.352SS..EExtended strand (participates in β ladder)trans-139.9128.6-178.5-82.9171.1158.7-92.90110.1Q1141 E1274 L1275 I1276Q1141-K1143 VanDerWaalsContact C-N 3.33Å; K1143-E1274 WeakPolarHBondContact CD-OE1 3.09Å; K1143-E1274 IonicContact NZ-OE1 2.75Å; K1143-E1274 PolarHBondContact NZ-OE1 3.24Å; K1143-E1274 IonicContact NZ-OE2 2.67Å; K1143-E1274 PolarHBondContact NZ-OE2 3.32Å; K1143-L1275 CarbonylContact C-O 3.59Å; K1143-L1275 WeakPolarHBondContact CA-O 3.09Å; K1143-I1276 HydrophobicContact CG-CG1 4.33Å
1144I87Confident76.4Confident7 Ų778.3 Ų78.34%0.03638%0.375CS..EExtended strand (participates in β ladder)trans-132.4123179.7-67157.1000108.8Q1141 L1159 V1165 L1168 E1274 L1275 L1277Q1141-I1144 HydrophobicContact CB-CD1 4.47Å; Q1141-I1144 HydrophobicContact CB-CG1 4.32Å; I1144-L1159 HydrophobicContact CD1-CD2 4.31Å; I1144-L1159 HydrophobicContact CG2-CD1 4.43Å; I1144-L1159 HydrophobicContact CG2-CD2 4.31Å; I1144-V1165 HydrophobicContact CD1-CG1 3.94Å; I1144-V1165 HydrophobicContact CG1-CG1 4.29Å; I1144-V1165 HydrophobicContact CG2-CG2 4.01Å; I1144-L1168 HydrophobicContact CD1-CD2 3.47Å; I1144-L1168 VanDerWaalsContact CD1-CD2 3.47Å; I1144-E1274 CarbonylContact O-C 3.56Å; I1144-E1274 WeakPolarHBondContact O-CA 3.35Å; I1144-L1275 HydrophobicContact CB-CB 4.29Å; I1144-L1275 HydrophobicContact CD1-CD2 4.2Å; I1144-L1275 PolarHBondContact N-O 3.36Å; I1144-L1275 PolarHBondContact O-N 2.88Å; I1144-L1277 HydrophobicContact CD1-CD1 4.23Å
1145S81.2Confident74.4Confident74 Ų7479.3 Ų79.352%0.51738%0.383SS..EExtended strand (participates in β ladder)trans-94.3123.1179.9-75.50000111.8N1147S1145-N1147 VanDerWaalsContact C-N 3.29Å; S1145-N1147 PolarHBondContact O-N 3.31Å
1146M74.3Confident72.8Confident10 Ų1087.7 Ų87.75%0.04942%0.415CS..  trans-92.524.2-173.7-60.1-176.668.400113.2K1148 I1149 L1159 M1162 L1265 Y1273M1146-K1148 VanDerWaalsContact C-N 3.3Å; M1146-K1148 PolarHBondContact O-N 3.46Å; M1146-K1148 VanDerWaalsContact O-N 3.14Å; M1146-I1149 HydrophobicContact CB-CD1 3.76Å; M1146-I1149 HydrophobicContact CE-CD1 3.52Å; M1146-I1149 HydrophobicContact CG-CD1 4.34Å; M1146-I1149 WeakPolarHBondContact O-CG1 3.48Å; M1146-I1149 PolarHBondContact O-N 3.33Å; M1146-L1159 HydrophobicContact CE-CD1 3.86Å; M1146-L1159 HydrophobicContact CG-CD1 4.2Å; M1146-L1159 HydrophobicContact SD-CD1 4.3Å; M1146-M1162 HydrophobicContact CE-CE 3.95Å; M1146-L1265 HydrophobicContact CE-CD1 3.7Å; M1146-L1265 HydrophobicContact CE-CG 4.38Å; M1146-L1265 HydrophobicContact SD-CD1 3.77Å; M1146-Y1273 WeakPolarHBondContact CB-O 3.39Å; M1146-Y1273 PolarHBondContact N-O 2.82Å
1147N62Low71.5Confident85 Ų8591.5 Ų91.546%0.45543%0.431SS..THydrogen-bonded Turntrans-78.70.8-158.7-55.1-7.5000115.6S1145 N1272S1145-N1147 VanDerWaalsContact C-N 3.29Å; S1145-N1147 PolarHBondContact O-N 3.31Å; N1147-N1272 WeakPolarHBondContact CA-OD1 3.48Å; N1147-N1272 WeakPolarHBondContact CB-OD1 3.4Å
1148K52.6Low70.8Confident165 Ų16593.5 Ų93.572%0.71744%0.439SS*.THydrogen-bonded Turntrans-111.4-5.3-179.3-68.6-173.9-171.6172.50114M1146 R1150 E1164M1146-K1148 VanDerWaalsContact C-N 3.3Å; M1146-K1148 PolarHBondContact O-N 3.46Å; M1146-K1148 VanDerWaalsContact O-N 3.14Å; K1148-R1150 PolarHBondContact O-N 2.91Å; K1148-E1164 IonicContact NZ-OE1 3.31Å; K1148-E1164 PolarHBondContact NZ-OE1 2.76Å
1149I54.7Low70.2Confident34 Ų3489.1 Ų89.117%0.17442%0.42CS..  trans-70.3122.6-172.2-55176.3000109.5M1146 P1151 M1162 L1268M1146-I1149 HydrophobicContact CB-CD1 3.76Å; M1146-I1149 HydrophobicContact CE-CD1 3.52Å; M1146-I1149 HydrophobicContact CG-CD1 4.34Å; M1146-I1149 WeakPolarHBondContact O-CG1 3.48Å; M1146-I1149 PolarHBondContact O-N 3.33Å; I1149-P1151 WeakPolarHBondContact O-CD 3.26Å; I1149-M1162 HydrophobicContact CD1-CB 3.73Å; I1149-M1162 HydrophobicContact CD1-CE 4.06Å; I1149-M1162 HydrophobicContact CD1-CG 4.38Å; I1149-M1162 HydrophobicContact CD1-SD 3.83Å; I1149-M1162 HydrophobicContact CG1-CB 3.94Å; I1149-M1162 HydrophobicContact CG2-CB 4.19Å; I1149-M1162 HydrophobicContact CG2-CG 4.14Å; I1149-M1162 HydrophobicContact CG2-SD 3.62Å; I1149-L1268 HydrophobicContact CG2-CD1 4.29Å
1150R52.2Low69.5Low226 Ų22692.8 Ų92.885%0.85344%0.436SS*.  trans-91.8102.2169.3-68.9-169.5-177.2-154.93.4109.1K1148 T1152K1148-R1150 PolarHBondContact O-N 2.91Å; R1150-T1152 PolarHBondContact O-N 3.37Å; R1150-T1152 VanDerWaalsContact O-N 3.17Å
1151P51.2Low68.6Low52 Ų5292.6 Ų92.634%0.33844%0.437SS..  trans-68.7115.417927.9-34.3000110.2I1149 L1268I1149-P1151 WeakPolarHBondContact O-CD 3.26Å; P1151-L1268 HydrophobicContact CB-CB 4.18Å; P1151-L1268 VanDerWaalsContact CB-O 3.31Å; P1151-L1268 WeakPolarHBondContact CB-O 3.44Å; P1151-L1268 WeakPolarHBondContact CG-O 3.44Å
1152T51.2Low67.4Low86 Ų8689 Ų8953%0.52842%0.42SS..  trans-78.6146.2162.3520000108.4R1150 N1154 S1155R1150-T1152 PolarHBondContact O-N 3.37Å; R1150-T1152 VanDerWaalsContact O-N 3.17Å; T1152-N1154 PolarHBondContact O-N 3.2Å; T1152-S1155 PolarHBondContact O-N 3.12Å; T1152-S1155 PolarHBondContact O-OG 2.96Å; T1152-S1155 WeakPolarHBondContact OG1-CB 3.35Å; T1152-S1155 PolarHBondContact OG1-OG 3.13Å
1153R47.6Very low66.3Low243 Ų24388.2 Ų88.292%0.91741%0.411SS*.THydrogen-bonded Turntrans-65.5126.6-175.4-70.9-177.7175.5179.1-2.1109.8
1154N50.4Low65.1Low139 Ų13990.2 Ų90.274%0.74342%0.423SS*.THydrogen-bonded Turntrans75.99.8-179.4-55.34.8000117.3T1152 R1156T1152-N1154 PolarHBondContact O-N 3.2Å; N1154-R1156 PolarHBondContact O-N 3.18Å
1155S53.5Low64Low28 Ų2891.3 Ų91.320%0.19643%0.43CS..  trans-76.4117.2176.959.50000113.3T1152 F1157T1152-S1155 PolarHBondContact O-N 3.12Å; T1152-S1155 PolarHBondContact O-OG 2.96Å; T1152-S1155 WeakPolarHBondContact OG1-CB 3.35Å; T1152-S1155 PolarHBondContact OG1-OG 3.13Å; S1155-F1157 VanDerWaalsContact C-N 3.34Å; S1155-F1157 VanDerWaalsContact CB-CD2 3.46Å; S1155-F1157 PolarHBondContact O-N 2.86Å; S1155-F1157 WeakPolarHBondContact OG-CD2 2.86Å; S1155-F1157 VanDerWaalsContact OG-CE2 3.31Å; S1155-F1157 WeakPolarHBondContact OG-CE2 2.87Å
1156R63.6Low63.5Low178 Ų17894.5 Ų94.567%0.67244%0.441SS*.  trans-86.165.9169.4-64.1-178.5-179.4163.5-3.3110.9N1154 N1264 I1266N1154-R1156 PolarHBondContact O-N 3.18Å; R1156-N1264 VanDerWaalsContact C-ND2 3.31Å; R1156-N1264 WeakPolarHBondContact CA-OD1 3.45Å; R1156-N1264 PolarHBondContact O-ND2 2.9Å; R1156-I1266 HydrophobicContact CG-CG1 4.31Å; R1156-I1266 HydrophobicContact CG-CG2 4.42Å
1157F70.2Confident63.7Low80 Ų8097.2 Ų97.235%0.35145%0.453SS..  trans-83.2143.8-179.5-62-51.6000112.6S1155 E1161 M1162 N1264S1155-F1157 VanDerWaalsContact C-N 3.34Å; S1155-F1157 VanDerWaalsContact CB-CD2 3.46Å; S1155-F1157 PolarHBondContact O-N 2.86Å; S1155-F1157 WeakPolarHBondContact OG-CD2 2.86Å; S1155-F1157 VanDerWaalsContact OG-CE2 3.31Å; S1155-F1157 WeakPolarHBondContact OG-CE2 2.87Å; F1157-E1161 WeakPolarHBondContact CA-OE2 3.42Å; F1157-E1161 HydrophobicContact CB-CB 4.4Å; F1157-M1162 HydrophobicContact CB-CE 4.37Å; F1157-M1162 HydrophobicContact CB-CG 3.32Å; F1157-M1162 HydrophobicContact CB-SD 3.58Å; F1157-M1162 VanDerWaalsContact CB-SD 3.58Å; F1157-M1162 HydrophobicContact CD2-CG 4.2Å; F1157-M1162 HydrophobicContact CD2-SD 4.45Å; F1157-M1162 HydrophobicContact CG-CG 4.12Å; F1157-M1162 VanDerWaalsContact O-CE 3.32Å; F1157-M1162 WeakPolarHBondContact O-CE 3.43Å; F1157-N1264 PolarHBondContact O-ND2 3.42Å; F1157-N1264 PolarHBondContact O-OD1 2.85Å
1158W83.3Confident65Low44 Ų4493.7 Ų93.717%0.16744%0.435CS..BIsolated β-bridgetrans-83.3160.5171-67.9101.7000111.5Q1160 E1161 M1162 L1214 L1216 I1222 D1262 N1264W1158-Q1160 VanDerWaalsContact C-N 3.29Å; W1158-Q1160 HydrophobicContact CB-CG 4.4Å; W1158-Q1160 PolarHBondContact O-N 2.94Å; W1158-E1161 HydrophobicContact CB-CG 4.14Å; W1158-E1161 PolarHBondContact N-OE2 3.05Å; W1158-E1161 WeakPolarHBondContact O-CB 3.17Å; W1158-E1161 PolarHBondContact O-N 3.17Å; W1158-M1162 WeakPolarHBondContact O-CG 3.39Å; W1158-M1162 PolarHBondContact O-N 2.9Å; W1158-L1214 HydrophobicContact CH2-CB 4.26Å; W1158-L1216 HydrophobicContact CE3-CB 4.42Å; W1158-L1216 HydrophobicContact CH2-CB 3.93Å; W1158-L1216 HydrophobicContact CZ3-CB 3.74Å; W1158-I1222 HydrophobicContact CH2-CG1 4.3Å; W1158-I1222 HydrophobicContact CZ2-CD1 4.13Å; W1158-I1222 HydrophobicContact CZ2-CG1 4.26Å; W1158-D1262 HydrophobicContact CE3-CB 3.76Å; W1158-D1262 HydrophobicContact CZ3-CB 4.28Å; W1158-N1264 HydrophobicContact CD2-CB 3.96Å; W1158-N1264 HydrophobicContact CE3-CB 3.7Å; W1158-N1264 HydrophobicContact CH2-CB 4.13Å; W1158-N1264 HydrophobicContact CZ2-CB 4.36Å; W1158-N1264 HydrophobicContact CZ3-CB 3.79Å; W1158-N1264 PolarHBondContact N-ND2 2.8Å
1159L81.4Confident66.7Low3 Ų390.3 Ų90.32%0.01642%0.424CS..Hα-helixtrans-61.8-37.5-176.2-17763.7000112.2I1144 M1146 E1161 M1162 S1163 L1168 D1262 I1263 L1275I1144-L1159 HydrophobicContact CD1-CD2 4.31Å; I1144-L1159 HydrophobicContact CG2-CD1 4.43Å; I1144-L1159 HydrophobicContact CG2-CD2 4.31Å; M1146-L1159 HydrophobicContact CE-CD1 3.86Å; M1146-L1159 HydrophobicContact CG-CD1 4.2Å; M1146-L1159 HydrophobicContact SD-CD1 4.3Å; L1159-E1161 PolarHBondContact O-N 2.93Å; L1159-M1162 PolarHBondContact O-N 2.83Å; L1159-S1163 PolarHBondContact O-N 2.9Å; L1159-S1163 VanDerWaalsContact O-N 3.15Å; L1159-S1163 PolarHBondContact O-OG 2.92Å; L1159-L1168 HydrophobicContact CD2-CD2 3.88Å; L1159-D1262 WeakPolarHBondContact CB-OD1 3.36Å; L1159-D1262 PolarHBondContact N-OD1 2.97Å; L1159-I1263 HydrophobicContact CB-CG2 4.11Å; L1159-I1263 HydrophobicContact CD2-CG2 4.1Å; L1159-I1263 PolarHBondContact N-O 2.8Å; L1159-L1275 HydrophobicContact CD2-CD2 3.68Å
1160Q80.5Confident68.6Low92 Ų9289.1 Ų89.143%0.4342%0.418SS..Hα-helixtrans-65.8-22.3174.875.2-172.1-63.600113.6W1158 D1262W1158-Q1160 VanDerWaalsContact C-N 3.29Å; W1158-Q1160 HydrophobicContact CB-CG 4.4Å; W1158-Q1160 PolarHBondContact O-N 2.94Å; Q1160-D1262 WeakPolarHBondContact CB-OD2 3.38Å; Q1160-D1262 VanDerWaalsContact CD-OD2 3.29Å; Q1160-D1262 WeakPolarHBondContact CG-OD2 3Å; Q1160-D1262 PolarHBondContact N-OD2 3.27Å; Q1160-D1262 PolarHBondContact NE2-OD2 3.05Å
1161E73.5Confident70.5Confident115 Ų11580 Ų8054%0.53739%0.394SS..Hα-helixtrans-87.6-20.3177.1-58.8172.5159.700112F1157 W1158 L1159F1157-E1161 WeakPolarHBondContact CA-OE2 3.42Å; F1157-E1161 HydrophobicContact CB-CB 4.4Å; W1158-E1161 HydrophobicContact CB-CG 4.14Å; W1158-E1161 PolarHBondContact N-OE2 3.05Å; W1158-E1161 WeakPolarHBondContact O-CB 3.17Å; W1158-E1161 PolarHBondContact O-N 3.17Å; L1159-E1161 PolarHBondContact O-N 2.93Å
1162M63.9Low72.5Confident32 Ų3278 Ų7816%0.15838%0.381CS..Hα-helixtrans-106.4-13.1-171.4-66.7-171.3-70.100114.8M1146 I1149 F1157 W1158 L1159 L1268M1146-M1162 HydrophobicContact CE-CE 3.95Å; I1149-M1162 HydrophobicContact CD1-CB 3.73Å; I1149-M1162 HydrophobicContact CD1-CE 4.06Å; I1149-M1162 HydrophobicContact CD1-CG 4.38Å; I1149-M1162 HydrophobicContact CD1-SD 3.83Å; I1149-M1162 HydrophobicContact CG1-CB 3.94Å; I1149-M1162 HydrophobicContact CG2-CB 4.19Å; I1149-M1162 HydrophobicContact CG2-CG 4.14Å; I1149-M1162 HydrophobicContact CG2-SD 3.62Å; F1157-M1162 HydrophobicContact CB-CE 4.37Å; F1157-M1162 HydrophobicContact CB-CG 3.32Å; F1157-M1162 HydrophobicContact CB-SD 3.58Å; F1157-M1162 VanDerWaalsContact CB-SD 3.58Å; F1157-M1162 HydrophobicContact CD2-CG 4.2Å; F1157-M1162 HydrophobicContact CD2-SD 4.45Å; F1157-M1162 HydrophobicContact CG-CG 4.12Å; F1157-M1162 VanDerWaalsContact O-CE 3.32Å; F1157-M1162 WeakPolarHBondContact O-CE 3.43Å; W1158-M1162 WeakPolarHBondContact O-CG 3.39Å; W1158-M1162 PolarHBondContact O-N 2.9Å; L1159-M1162 PolarHBondContact O-N 2.83Å; M1162-L1268 HydrophobicContact CE-CD1 4.48Å; M1162-L1268 HydrophobicContact SD-CD1 4.09Å
1163S66.5Low74.4Confident36 Ų3679.3 Ų79.325%0.25238%0.381SS..SBendtrans-142.4163.3-16873.80000113L1159 V1165L1159-S1163 PolarHBondContact O-N 2.9Å; L1159-S1163 VanDerWaalsContact O-N 3.15Å; L1159-S1163 PolarHBondContact O-OG 2.92Å; S1163-V1165 PolarHBondContact O-N 2.7Å; S1163-V1165 VanDerWaalsContact O-N 3.13Å; S1163-V1165 PolarHBondContact OG-N 3.28Å
1164E66.1Low76.5Confident165 Ų16571.1 Ų71.177%0.77136%0.359SS*.SBendtrans-70.43.7171.6-62.2162.2-133.300112.3K1148K1148-E1164 IonicContact NZ-OE1 3.31Å; K1148-E1164 PolarHBondContact NZ-OE1 2.76Å
1165V64.8Low78.4Confident30 Ų3069.9 Ų69.918%0.18235%0.349CS..  trans-97.5106.7180-175.20000109.4I1144 S1163I1144-V1165 HydrophobicContact CD1-CG1 3.94Å; I1144-V1165 HydrophobicContact CG1-CG1 4.29Å; I1144-V1165 HydrophobicContact CG2-CG2 4.01Å; S1163-V1165 PolarHBondContact O-N 2.7Å; S1163-V1165 VanDerWaalsContact O-N 3.13Å; S1163-V1165 PolarHBondContact OG-N 3.28Å
1166N69.5Low80.3Confident142 Ų14268.8 Ų68.876%0.75934%0.34SS*.  trans-57.1166.2167.5-69-14.8000111.7
1167E79.1Confident81.8Confident66 Ų6661 Ų6131%0.30831%0.312SS..SBendtrans-38.6137.8179.5-165.2175-118.100114.8N1169 R1261E1167-N1169 PolarHBondContact O-N 3.22Å; E1167-N1169 VanDerWaalsContact O-N 3.13Å; E1167-R1261 HydrophobicContact CG-CB 3.85Å; E1167-R1261 HydrophobicContact CG-CG 4.35Å; E1167-R1261 WeakPolarHBondContact CG-O 3.47Å; E1167-R1261 IonicContact OE1-CZ 3.83Å; E1167-R1261 VanDerWaalsContact OE1-CZ 3.24Å; E1167-R1261 IonicContact OE1-NE 2.73Å; E1167-R1261 PolarHBondContact OE1-NE 3.18Å; E1167-R1261 IonicContact OE1-NH2 2.94Å; E1167-R1261 PolarHBondContact OE1-NH2 3.2Å; E1167-R1261 IonicContact OE2-CZ 2.75Å; E1167-R1261 IonicContact OE2-NE 2.68Å; E1167-R1261 PolarHBondContact OE2-NE 2.86Å; E1167-R1261 VanDerWaalsContact OE2-NE 3.08Å; E1167-R1261 IonicContact OE2-NH2 3.72Å; E1167-R1261 PolarHBondContact OE2-NH2 3.18Å
1168L89.4Confident82.9Confident12 Ų1261.2 Ų61.26%0.06332%0.317CS..  trans-62.1114.8-167.4-61.3180000111.7I1144 L1159 Y1170 R1261 L1275 L1277I1144-L1168 HydrophobicContact CD1-CD2 3.47Å; I1144-L1168 VanDerWaalsContact CD1-CD2 3.47Å; L1159-L1168 HydrophobicContact CD2-CD2 3.88Å; L1168-Y1170 HydrophobicContact CB-CE2 4.23Å; L1168-Y1170 WeakPolarHBondContact O-CD2 3.42Å; L1168-Y1170 WeakPolarHBondContact O-CE2 3.28Å; L1168-R1261 VanDerWaalsContact CB-O 3.25Å; L1168-R1261 WeakPolarHBondContact CB-O 3.39Å; L1168-R1261 VanDerWaalsContact CG-O 3.22Å; L1168-R1261 WeakPolarHBondContact CG-O 3.48Å; L1168-R1261 PolarHBondContact N-O 3.12Å; L1168-L1275 HydrophobicContact CD1-CD2 4.47Å; L1168-L1277 HydrophobicContact CB-CD1 4.35Å; L1168-L1277 HydrophobicContact CD1-CD1 3.88Å; L1168-L1277 HydrophobicContact CD1-CD2 4.02Å; L1168-L1277 HydrophobicContact CD2-CD1 3.78Å; L1168-L1277 HydrophobicContact CG-CD1 4.21Å
1169N88.8Confident83.4Confident93 Ų9363.8 Ų63.850%0.49733%0.329SS..  trans-109.9146.2-167.8-153.4-53.5000112.3K1140 E1167K1140-N1169 HydrophobicContact CD-CB 4.23Å; K1140-N1169 WeakPolarHBondContact CD-OD1 2.97Å; K1140-N1169 PolarHBondContact N-O 3Å; K1140-N1169 PolarHBondContact NZ-OD1 3.39Å; E1167-N1169 PolarHBondContact O-N 3.22Å; E1167-N1169 VanDerWaalsContact O-N 3.13Å
1170Y93.8Very high84Confident10 Ų1063.7 Ų63.74%0.03933%0.329CS..BIsolated β-bridgetrans-124.7158.3-169.7-64.6-95.1000111.7P1139 K1140 L1168 I1172 Q1189 P1259 I1260 V1280P1139-Y1170 HydrophobicContact CB-CD1 4Å; P1139-Y1170 HydrophobicContact CB-CE1 3.85Å; K1140-Y1170 WeakPolarHBondContact CE-O 3.18Å; K1140-Y1170 PolarHBondContact NZ-O 2.95Å; L1168-Y1170 HydrophobicContact CB-CE2 4.23Å; L1168-Y1170 WeakPolarHBondContact O-CD2 3.42Å; L1168-Y1170 WeakPolarHBondContact O-CE2 3.28Å; Y1170-I1172 PolarHBondContact O-N 3.31Å; Y1170-Q1189 PolarHBondContact OH-NE2 3.43Å; Y1170-P1259 HydrophobicContact CD1-CB 4.24Å; Y1170-P1259 HydrophobicContact CD2-CB 3.74Å; Y1170-P1259 HydrophobicContact CD2-CG 3.6Å; Y1170-P1259 HydrophobicContact CE1-CB 3.89Å; Y1170-P1259 HydrophobicContact CE2-CB 3.36Å; Y1170-P1259 HydrophobicContact CE2-CG 3.63Å; Y1170-P1259 HydrophobicContact CG-CB 4.19Å; Y1170-P1259 HydrophobicContact CG-CG 4.19Å; Y1170-P1259 VanDerWaalsContact CZ-CB 3.44Å; Y1170-I1260 WeakPolarHBondContact CE2-O 3.42Å; Y1170-I1260 PolarHBondContact OH-O 2.03Å; Y1170-V1280 HydrophobicContact CD1-CG1 4.06Å; Y1170-V1280 HydrophobicContact CE1-CG1 4.34Å
1171G91.8Very high84.7Confident34 Ų3460.1 Ų60.135%0.35131%0.312SS..SBendtrans-75.345.9-175.400000115.2T1124 K1138T1124-G1171 WeakPolarHBondContact CG2-O 3.34Å; K1138-G1171 PolarHBondContact O-N 3.01Å
1172I93.7Very high85.5Confident11 Ų1158.6 Ų58.66%0.05631%0.307CS..SBendtrans-152.5151.8-179.8-170162.7000109.9T1124 I1137 Y1170 Q1176 L1177T1124-I1172 HydrophobicContact CG2-CB 4.05Å; T1124-I1172 HydrophobicContact CG2-CD1 4.37Å; T1124-I1172 HydrophobicContact CG2-CG1 4.04Å; I1137-I1172 HydrophobicContact CD1-CB 4.33Å; I1137-I1172 HydrophobicContact CD1-CD1 3.63Å; I1137-I1172 HydrophobicContact CD1-CG2 4.05Å; I1137-I1172 HydrophobicContact CG1-CD1 4.31Å; I1137-I1172 HydrophobicContact CG2-CB 4.15Å; I1137-I1172 HydrophobicContact CG2-CG2 3.94Å; Y1170-I1172 PolarHBondContact O-N 3.31Å; I1172-Q1176 HydrophobicContact CD1-CB 4.01Å; I1172-Q1176 HydrophobicContact CG1-CB 3.86Å; I1172-L1177 HydrophobicContact CD1-CB 4.28Å; I1172-L1177 HydrophobicContact CG1-CB 4.33Å; I1172-L1177 HydrophobicContact CG2-CB 3.89Å; I1172-L1177 HydrophobicContact CG2-CD1 4.25Å; I1172-L1177 HydrophobicContact CG2-CD2 4.31Å; I1172-L1177 HydrophobicContact CG2-CG 4.37Å
1173E92Very high86.7Confident113 Ų11359.5 Ų59.553%0.52832%0.316SS..  trans-78.5148.3172.7-63.2-51.9139.200112.3E1175 Q1176 L1177E1173-E1175 VanDerWaalsContact C-N 3.29Å; E1173-E1175 PolarHBondContact O-N 3.32Å; E1173-Q1176 PolarHBondContact O-N 2.76Å; E1173-L1177 WeakPolarHBondContact O-CB 3.5Å; E1173-L1177 PolarHBondContact O-N 3.32Å
1174P91.5Very high88Confident70 Ų7058.7 Ų58.746%0.45531%0.31SS..Hα-helixtrans-55.8-38.2-175-26.135.5000114.3L1177 N1178P1174-L1177 PolarHBondContact O-N 3.03Å; P1174-N1178 WeakPolarHBondContact O-CB 3.49Å; P1174-N1178 PolarHBondContact O-N 2.91Å; P1174-N1178 PolarHBondContact O-ND2 3.47Å
1175E90.3Very high89.2Confident114 Ų11455.3 Ų55.353%0.53330%0.298SS..Hα-helixtrans-66.8-47.9179.6-65.666.4-147.700110.8I1116 E1173 L1177 N1178 F1179I1116-E1175 HydrophobicContact CD1-CB 4.07Å; E1173-E1175 VanDerWaalsContact C-N 3.29Å; E1173-E1175 PolarHBondContact O-N 3.32Å; E1175-L1177 VanDerWaalsContact C-N 3.32Å; E1175-L1177 PolarHBondContact O-N 3.26Å; E1175-N1178 PolarHBondContact O-N 3.15Å; E1175-F1179 WeakPolarHBondContact O-CD2 3.26Å; E1175-F1179 PolarHBondContact O-N 3.28Å
1176Q92.6Very high90.5Very high5 Ų555.6 Ų55.62%0.02330%0.298CS..Hα-helixtrans-64.9-37.8177-75.9-170.6-13.600111.8N1114 P1115 I1116 S1122 T1124 I1172 E1173 F1179 L1180N1114-Q1176 PolarHBondContact OD1-NE2 3.33Å; N1114-Q1176 VanDerWaalsContact OD1-NE2 3.14Å; P1115-Q1176 WeakPolarHBondContact CB-O 3.27Å; P1115-Q1176 HydrophobicContact CG-CB 4.2Å; I1116-Q1176 HydrophobicContact CD1-CG 3.66Å; I1116-Q1176 HydrophobicContact CG1-CG 4.09Å; S1122-Q1176 PolarHBondContact O-NE2 3.42Å; T1124-Q1176 PolarHBondContact OG1-OE1 3.25Å; I1172-Q1176 HydrophobicContact CD1-CB 4.01Å; I1172-Q1176 HydrophobicContact CG1-CB 3.86Å; E1173-Q1176 PolarHBondContact O-N 2.76Å; Q1176-F1179 PolarHBondContact O-N 3.06Å; Q1176-L1180 WeakPolarHBondContact O-CB 3.48Å; Q1176-L1180 PolarHBondContact O-N 2.89Å
1177L94.7Very high91.7Very high15 Ų1548.9 Ų48.98%0.07926%0.262CS..Hα-helixtrans-61.3-43.2173.2176.359.4000111.5I1137 I1172 E1173 P1174 E1175 L1180 K1181 P1259 Y1282I1137-L1177 HydrophobicContact CD1-CD1 4.3Å; I1172-L1177 HydrophobicContact CD1-CB 4.28Å; I1172-L1177 HydrophobicContact CG1-CB 4.33Å; I1172-L1177 HydrophobicContact CG2-CB 3.89Å; I1172-L1177 HydrophobicContact CG2-CD1 4.25Å; I1172-L1177 HydrophobicContact CG2-CD2 4.31Å; I1172-L1177 HydrophobicContact CG2-CG 4.37Å; E1173-L1177 WeakPolarHBondContact O-CB 3.5Å; E1173-L1177 PolarHBondContact O-N 3.32Å; P1174-L1177 PolarHBondContact O-N 3.03Å; E1175-L1177 VanDerWaalsContact C-N 3.32Å; E1175-L1177 PolarHBondContact O-N 3.26Å; L1177-L1180 PolarHBondContact O-N 2.94Å; L1177-K1181 HydrophobicContact CD1-CG 4.47Å; L1177-K1181 HydrophobicContact CG-CD 4.48Å; L1177-K1181 WeakPolarHBondContact O-CG 3.26Å; L1177-K1181 PolarHBondContact O-N 2.78Å; L1177-P1259 HydrophobicContact CD2-CG 4.35Å; L1177-Y1282 HydrophobicContact CD1-CE2 4.01Å; L1177-Y1282 WeakPolarHBondContact CD1-OH 3.35Å
1178N94.1Very high92.5Very high83 Ų8346.5 Ų46.544%0.44425%0.251SS..Hα-helixtrans-67.8-37.7178.3-71.9-21.3000112.6P1174 E1175 K1181 L1182P1174-N1178 WeakPolarHBondContact O-CB 3.49Å; P1174-N1178 PolarHBondContact O-N 2.91Å; P1174-N1178 PolarHBondContact O-ND2 3.47Å; E1175-N1178 PolarHBondContact O-N 3.15Å; N1178-K1181 PolarHBondContact OD1-NZ 2.87Å; N1178-L1182 WeakPolarHBondContact O-CB 3.27Å; N1178-L1182 PolarHBondContact O-N 3.24Å
1179F93.5Very high92.7Very high99 Ų9946 Ų4643%0.43425%0.249SC..Hα-helixtrans-64.8-37.8169.1-88.3-106.2000112.3P1115 I1116 E1175 Q1176 L1182 S1183P1115-F1179 HydrophobicContact CB-CB 3.78Å; I1116-F1179 HydrophobicContact CB-CD1 4.43Å; I1116-F1179 HydrophobicContact CB-CG 4.47Å; I1116-F1179 HydrophobicContact CG1-CB 4.18Å; I1116-F1179 HydrophobicContact CG1-CD1 4.2Å; I1116-F1179 HydrophobicContact CG1-CD2 3.69Å; I1116-F1179 HydrophobicContact CG1-CE2 4.05Å; I1116-F1179 HydrophobicContact CG1-CG 3.76Å; I1116-F1179 HydrophobicContact CG1-CZ 4.45Å; I1116-F1179 HydrophobicContact CG2-CE1 4.38Å; I1116-F1179 HydrophobicContact CG2-CZ 4.32Å; E1175-F1179 WeakPolarHBondContact O-CD2 3.26Å; E1175-F1179 PolarHBondContact O-N 3.28Å; Q1176-F1179 PolarHBondContact O-N 3.06Å; F1179-L1182 PolarHBondContact O-N 2.78Å; F1179-S1183 WeakPolarHBondContact O-CB 3.18Å; F1179-S1183 PolarHBondContact O-N 2.79Å; F1179-S1183 PolarHBondContact O-OG 2.79Å
1180L94.2Very high93Very high0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-65.8-48.2177.4-175.964.2000111.9T1095 P1115 T1135 I1137 Q1176 L1177 L1182 S1183 S1184 Y1282T1095-L1180 HydrophobicContact CG2-CD1 3.66Å; P1115-L1180 HydrophobicContact CB-CB 4.36Å; P1115-L1180 HydrophobicContact CG-CB 4.2Å; T1135-L1180 HydrophobicContact CG2-CD1 3.89Å; T1135-L1180 HydrophobicContact CG2-CD2 3.75Å; I1137-L1180 HydrophobicContact CD1-CD2 3.45Å; I1137-L1180 VanDerWaalsContact CD1-CD2 3.45Å; I1137-L1180 HydrophobicContact CG1-CD2 4.43Å; Q1176-L1180 WeakPolarHBondContact O-CB 3.48Å; Q1176-L1180 PolarHBondContact O-N 2.89Å; L1177-L1180 PolarHBondContact O-N 2.94Å; L1180-L1182 VanDerWaalsContact C-N 3.29Å; L1180-L1182 PolarHBondContact O-N 2.91Å; L1180-S1183 WeakPolarHBondContact CA-OG 3.44Å; L1180-S1183 PolarHBondContact O-N 3.49Å; L1180-S1183 VanDerWaalsContact O-N 3.1Å; L1180-S1183 PolarHBondContact O-OG 3.41Å; L1180-S1184 PolarHBondContact O-N 2.79Å; L1180-S1184 PolarHBondContact O-OG 3.21Å; L1180-Y1282 HydrophobicContact CD2-CD2 3.45Å; L1180-Y1282 VanDerWaalsContact CD2-CD2 3.45Å; L1180-Y1282 HydrophobicContact CD2-CE2 4.05Å; L1180-Y1282 HydrophobicContact CD2-CG 3.88Å; L1180-Y1282 HydrophobicContact CG-CD2 4.03Å; L1180-Y1282 HydrophobicContact CG-CG 3.94Å
1181K94.7Very high93Very high18 Ų1846 Ų468%0.07824%0.242CC..Hα-helixtrans-51.6-49.1172.2-71.2168.5-172155.80111L1177 N1178 S1183 S1184 D1218 P1255 L1258 Y1282L1177-K1181 HydrophobicContact CD1-CG 4.47Å; L1177-K1181 HydrophobicContact CG-CD 4.48Å; L1177-K1181 WeakPolarHBondContact O-CG 3.26Å; L1177-K1181 PolarHBondContact O-N 2.78Å; N1178-K1181 PolarHBondContact OD1-NZ 2.87Å; K1181-S1183 VanDerWaalsContact C-N 3.27Å; K1181-S1183 PolarHBondContact O-N 2.97Å; K1181-S1184 PolarHBondContact O-N 3.3Å; K1181-D1218 WeakPolarHBondContact CE-OD1 3.41Å; K1181-D1218 WeakPolarHBondContact CE-OD2 3.44Å; K1181-D1218 IonicContact NZ-OD1 3.67Å; K1181-D1218 PolarHBondContact NZ-OD1 2.68Å; K1181-D1218 IonicContact NZ-OD2 3.08Å; K1181-D1218 PolarHBondContact NZ-OD2 2.75Å; K1181-P1255 HydrophobicContact CB-CB 4Å; K1181-P1255 HydrophobicContact CG-CB 4.27Å; K1181-L1258 WeakPolarHBondContact CE-O 3.37Å; K1181-Y1282 HydrophobicContact CG-CE1 3.76Å
1182L91.4Very high93Very high82 Ų8245.2 Ų45.243%0.42923%0.231SC..Hα-helixtrans-66.9-25.8-178.8-172.965.9000113.4M1055 N1178 F1179 L1180M1055-L1182 HydrophobicContact CE-CD1 3.76Å; M1055-L1182 HydrophobicContact CE-CD2 3.71Å; M1055-L1182 HydrophobicContact CE-CG 3.49Å; M1055-L1182 VanDerWaalsContact CE-CG 3.49Å; M1055-L1182 HydrophobicContact CG-CD1 4.34Å; N1178-L1182 WeakPolarHBondContact O-CB 3.27Å; N1178-L1182 PolarHBondContact O-N 3.24Å; F1179-L1182 PolarHBondContact O-N 2.78Å; L1180-L1182 VanDerWaalsContact C-N 3.29Å; L1180-L1182 PolarHBondContact O-N 2.91Å
1183S89.3Confident92.8Very high52 Ų5244.7 Ų44.736%0.36423%0.229SC..THydrogen-bonded Turntrans-89.76.6177.972.60000114.7F1179 L1180 K1181 T1284F1179-S1183 WeakPolarHBondContact O-CB 3.18Å; F1179-S1183 PolarHBondContact O-N 2.79Å; F1179-S1183 PolarHBondContact O-OG 2.79Å; L1180-S1183 WeakPolarHBondContact CA-OG 3.44Å; L1180-S1183 PolarHBondContact O-N 3.49Å; L1180-S1183 VanDerWaalsContact O-N 3.1Å; L1180-S1183 PolarHBondContact O-OG 3.41Å; K1181-S1183 VanDerWaalsContact C-N 3.27Å; K1181-S1183 PolarHBondContact O-N 2.97Å; S1183-T1284 WeakPolarHBondContact O-CG2 3.36Å
1184S93.9Very high92.5Very high18 Ų1839.9 Ų39.913%0.12621%0.207CC..  trans-128.3148.3-171.7-55.80000111.9L1180 K1181L1180-S1184 PolarHBondContact O-N 2.79Å; L1180-S1184 PolarHBondContact O-OG 3.21Å; K1181-S1184 PolarHBondContact O-N 3.3Å
1185D91.1Very high92Very high94 Ų9436.6 Ų36.650%0.50319%0.186SC..SBendtrans-90-29176.8-64.6-76.2000112.1T1283 T1284 L1286D1185-T1283 PolarHBondContact N-O 3.22Å; D1185-T1284 VanDerWaalsContact OD2-CA 3.26Å; D1185-T1284 WeakPolarHBondContact OD2-CA 3.44Å; D1185-L1286 HydrophobicContact CB-CD2 4.42Å; D1185-L1286 HydrophobicContact CB-CG 4.45Å
1186M92Very high91.2Very high37 Ų3733.2 Ų33.218%0.18218%0.175CC..EExtended strand (participates in β ladder)trans-148145.8-177.9-165.1167.363.400111.8V1188 G1253 T1283 F1289M1186-V1188 HydrophobicContact CE-CG2 4.47Å; M1186-G1253 WeakPolarHBondContact CA-O 3.33Å; M1186-G1253 WeakPolarHBondContact CG-O 3.43Å; M1186-T1283 PolarHBondContact N-O 3.33Å; M1186-T1283 VanDerWaalsContact N-O 3.11Å; M1186-T1283 PolarHBondContact O-N 2.98Å; M1186-F1289 HydrophobicContact CE-CD2 3.38Å; M1186-F1289 HydrophobicContact CE-CE2 3.26Å; M1186-F1289 HydrophobicContact CE-CG 4.45Å; M1186-F1289 HydrophobicContact CE-CZ 4.27Å
1187A94.5Very high89.6Confident0 Ų035.4 Ų35.40%020%0.199CC..EExtended strand (participates in β ladder)trans-120.2152.2168.600000111.1H1252 G1253 P1255 L1258 C1281 Y1282A1187-H1252 WeakPolarHBondContact O-CA 3.25Å; A1187-G1253 PolarHBondContact N-O 3.4Å; A1187-G1253 PolarHBondContact O-N 2.87Å; A1187-P1255 HydrophobicContact CB-CB 4.24Å; A1187-P1255 HydrophobicContact CB-CG 4.36Å; A1187-L1258 HydrophobicContact CB-CB 4.08Å; A1187-L1258 HydrophobicContact CB-CD1 3.73Å; A1187-L1258 HydrophobicContact CB-CG 4.47Å; A1187-C1281 CarbonylContact C-O 3.57Å; A1187-C1281 VanDerWaalsContact CA-O 3.3Å; A1187-C1281 WeakPolarHBondContact CA-O 3.22Å; A1187-Y1282 HydrophobicContact CB-CD1 3.59Å; A1187-Y1282 HydrophobicContact CB-CE1 3.57Å; A1187-Y1282 HydrophobicContact CB-CG 4.36Å
1188V94.4Very high87.6Confident16 Ų1635.6 Ų35.610%0.09720%0.2CC..EExtended strand (participates in β ladder)trans-137.9136.2178.8-179.20000109.7M1186 L1250 I1251 H1252 C1281 F1289M1186-V1188 HydrophobicContact CE-CG2 4.47Å; V1188-L1250 HydrophobicContact CG1-CD1 3.69Å; V1188-I1251 CarbonylContact C-O 3.56Å; V1188-I1251 VanDerWaalsContact CA-O 3.29Å; V1188-I1251 WeakPolarHBondContact CA-O 3.39Å; V1188-H1252 HydrophobicContact CG1-CB 4.48Å; V1188-H1252 HydrophobicContact CG2-CB 3.84Å; V1188-C1281 PolarHBondContact N-O 3.36Å; V1188-C1281 PolarHBondContact O-N 3.44Å; V1188-F1289 HydrophobicContact CB-CE1 4.11Å; V1188-F1289 HydrophobicContact CB-CZ 4.28Å; V1188-F1289 HydrophobicContact CG1-CE1 4.33Å; V1188-F1289 HydrophobicContact CG2-CD1 4.28Å; V1188-F1289 HydrophobicContact CG2-CE1 3.6Å; V1188-F1289 HydrophobicContact CG2-CE2 4.11Å; V1188-F1289 HydrophobicContact CG2-CZ 3.51Å
1189Q95.6Very high85.2Confident1 Ų135.7 Ų35.71%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-138.2145.6171-167.3173.911.400110.6Y1170 I1191 I1251 L1258 G1278 V1280Y1170-Q1189 PolarHBondContact OH-NE2 3.43Å; Q1189-I1191 HydrophobicContact CG-CG1 4.42Å; Q1189-I1251 PolarHBondContact N-O 2.94Å; Q1189-I1251 WeakPolarHBondContact O-CD1 3.23Å; Q1189-I1251 PolarHBondContact O-N 3.48Å; Q1189-L1258 HydrophobicContact CB-CD1 4.11Å; Q1189-L1258 HydrophobicContact CB-CD2 3.8Å; Q1189-G1278 PolarHBondContact NE2-O 2.9Å; Q1189-V1280 HydrophobicContact CB-CB 4.4Å; Q1189-V1280 HydrophobicContact CB-CG2 4.38Å; Q1189-V1280 HydrophobicContact CG-CB 4.25Å
1190R94.6Very high82.9Confident101 Ų10137.9 Ų37.938%0.38122%0.223SC..EExtended strand (participates in β ladder)trans-116132176.5-165.6-175.6-164.7-1424.4109.3E1235 T1248 V1249 G1278R1190-E1235 IonicContact CZ-OE2 2.79Å; R1190-E1235 IonicContact NE-OE2 2.63Å; R1190-E1235 PolarHBondContact NE-OE2 3.42Å; R1190-E1235 IonicContact NH2-OE1 2.61Å; R1190-E1235 IonicContact NH2-OE2 3.82Å; R1190-E1235 PolarHBondContact NH2-OE2 3.07Å; R1190-T1248 HydrophobicContact CG-CG2 3.77Å; R1190-V1249 WeakPolarHBondContact CA-O 3.45Å; R1190-G1278 VanDerWaalsContact O-CA 3.25Å; R1190-G1278 WeakPolarHBondContact O-CA 3.45Å; R1190-G1278 PolarHBondContact O-N 3.06Å
1191I93.4Very high80.5Confident3 Ų341.2 Ų41.22%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-132.4132.9179.4-63.4179.3000108.3Q1189 T1248 V1249 I1251 I1260 L1275 L1277Q1189-I1191 HydrophobicContact CG-CG1 4.42Å; I1191-T1248 CarbonylContact O-C 3.55Å; I1191-T1248 WeakPolarHBondContact O-CA 3.38Å; I1191-V1249 PolarHBondContact N-O 3.16Å; I1191-V1249 PolarHBondContact O-N 3.36Å; I1191-I1251 HydrophobicContact CD1-CD1 4.13Å; I1191-I1251 HydrophobicContact CG1-CD1 4.27Å; I1191-I1260 HydrophobicContact CD1-CB 3.77Å; I1191-I1260 HydrophobicContact CD1-CG1 3.69Å; I1191-I1260 HydrophobicContact CD1-CG2 3.97Å; I1191-L1275 HydrophobicContact CG2-CD1 3.5Å; I1191-L1277 HydrophobicContact CD1-CD2 3.93Å; I1191-L1277 HydrophobicContact CG1-CD2 3.96Å; I1191-L1277 HydrophobicContact CG2-CD2 4.1Å
1192S92.1Very high77.9Confident17 Ų1745.3 Ų45.312%0.11927%0.267CS..EExtended strand (participates in β ladder)trans-123.3133.2179.3-66.10000111.3T1247 T1248 I1276S1192-T1247 WeakPolarHBondContact CA-O 3.19Å; S1192-T1248 WeakPolarHBondContact OG-CG2 3.25Å; S1192-T1248 PolarHBondContact OG-OG1 3.13Å; S1192-I1276 PolarHBondContact N-O 3.14Å; S1192-I1276 WeakPolarHBondContact O-CB 3.3Å; S1192-I1276 PolarHBondContact O-N 3.39Å
1193L88.3Confident75.9Confident1 Ų146.2 Ų46.21%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-99.3115.2168.1-66.4168.4000108.4L1209 I1213 Y1246 T1247 I1263 L1265 L1275L1193-L1209 HydrophobicContact CB-CD2 4.44Å; L1193-L1209 HydrophobicContact CD1-CD2 4.09Å; L1193-I1213 HydrophobicContact CD1-CD1 3.63Å; L1193-I1213 HydrophobicContact CD1-CG1 4.08Å; L1193-Y1246 CarbonylContact O-C 3.58Å; L1193-Y1246 WeakPolarHBondContact O-CA 3.43Å; L1193-T1247 PolarHBondContact N-O 3.08Å; L1193-T1247 PolarHBondContact O-N 3.13Å; L1193-I1263 HydrophobicContact CD1-CD1 4.33Å; L1193-I1263 HydrophobicContact CD2-CD1 4.15Å; L1193-L1265 HydrophobicContact CD1-CD1 4.3Å; L1193-L1265 HydrophobicContact CD1-CD2 3.65Å; L1193-L1265 HydrophobicContact CD2-CD1 4.07Å; L1193-L1275 HydrophobicContact CD2-CB 4.31Å; L1193-L1275 HydrophobicContact CD2-CD1 3.83Å
1194S87.4Confident73.8Confident12 Ų1250 Ų508%0.08429%0.292CS..EExtended strand (participates in β ladder)trans-81.9133.5164.7-170.10000108.9Y1273 E1274S1194-Y1273 VanDerWaalsContact O-CA 3.27Å; S1194-Y1273 WeakPolarHBondContact O-CA 3.27Å; S1194-E1274 PolarHBondContact N-O 3.01Å; S1194-E1274 PolarHBondContact O-N 3.31Å
1195C80Confident71.7Confident1 Ų151.7 Ų51.71%0.00730%0.303CS..EExtended strand (participates in β ladder)trans-12298.7-178.149.90000110.8L1198 C1239 N1244 G1245 Y1273C1195-L1198 HydrophobicContact CB-CD1 4.41Å; C1195-C1239 HydrophobicContact CB-CB 3.96Å; C1195-C1239 WeakPolarHBondContact CB-SG 3.28Å; C1195-C1239 WeakPolarHBondContact SG-CA 3.43Å; C1195-C1239 WeakPolarHBondContact SG-CB 3.21Å; C1195-C1239 CovalentContact SG-SG 2.03Å; C1195-C1239 PolarHBondContact SG-SG 3.14Å; C1195-N1244 VanDerWaalsContact O-CA 3.32Å; C1195-N1244 WeakPolarHBondContact O-CA 3.22Å; C1195-N1244 PolarHBondContact O-N 3.22Å; C1195-G1245 PolarHBondContact N-O 3.15Å; C1195-G1245 PolarHBondContact SG-O 3.44Å; C1195-Y1273 HydrophobicContact CB-CD1 3.9Å; C1195-Y1273 HydrophobicContact CB-CE1 3.78Å
1196S72.7Confident69.8Low43 Ų4353.9 Ų53.930%0.30132%0.321SS..EExtended strand (participates in β ladder)trans-106.2143.1-171.569.60000112.5N1244 I1271 N1272S1196-N1244 WeakPolarHBondContact CA-OD1 3.43Å; S1196-I1271 VanDerWaalsContact O-CG2 3.29Å; S1196-I1271 WeakPolarHBondContact O-CG2 3.19Å; S1196-N1272 PolarHBondContact N-O 2.79Å; S1196-N1272 PolarHBondContact O-N 3.23Å; S1196-N1272 PolarHBondContact OG-O 3.21Å
1197G59.1Low68.1Low51 Ų5156.2 Ų56.253%0.52634%0.337SS..  trans88.719.4-178.100000115.7S1199 N1244G1197-S1199 PolarHBondContact O-N 3.34Å; G1197-N1244 PolarHBondContact N-OD1 3.2Å
1198L54Low66.7Low19 Ų1956.7 Ų56.710%0.09934%0.34CS..  trans-72.726.5174.9-100.4170.9000114.4C1195 D1200 I1201 T1243 I1271C1195-L1198 HydrophobicContact CB-CD1 4.41Å; L1198-D1200 PolarHBondContact O-N 3Å; L1198-I1201 HydrophobicContact CD2-CB 4.26Å; L1198-T1243 HydrophobicContact CB-CG2 4.31Å; L1198-T1243 WeakPolarHBondContact O-CG2 3.47Å; L1198-I1271 HydrophobicContact CD2-CD1 3.62Å; L1198-I1271 HydrophobicContact CD2-CG1 4.47Å; L1198-I1271 HydrophobicContact CG-CD1 3.91Å; L1198-I1271 HydrophobicContact CG-CG2 4.4Å
1199S43.4Very low65.6Low85 Ų8556.9 Ų56.959%0.59434%0.341SS*.SBendtrans-69.1-32.6-166.351.70000115.2G1197G1197-S1199 PolarHBondContact O-N 3.34Å
1200D43.9Very low64.3Low144 Ų14456.9 Ų56.977%0.7734%0.34SS*.SBendtrans-123.52.1-167.2-65.7-86.7000114.2L1198L1198-D1200 PolarHBondContact O-N 3Å
1201I45Very low63.3Low71 Ų7156.3 Ų56.336%0.36434%0.342SS..SBendtrans-89118.2167.5-63.2179.5000107.9L1198 V1203 N1269 I1271L1198-I1201 HydrophobicContact CD2-CB 4.26Å; I1201-V1203 PolarHBondContact O-N 2.81Å; I1201-N1269 HydrophobicContact CD1-CB 4.48Å; I1201-I1271 HydrophobicContact CD1-CD1 4.33Å
1202T40.6Very low62.4Low103 Ų10357.7 Ų57.763%0.63235%0.35SS*.  trans-51.3132.9-177.8-32.80000111.5N1204T1202-N1204 HydrophobicContact CG2-CB 4.37Å; T1202-N1204 PolarHBondContact O-N 3.29Å
1203V48.8Very low62.1Low101 Ų10157 Ų5761%0.61235%0.345SS*.THydrogen-bonded Turntrans-7027.9-177.4-154.70000113.5I1201 G1240 K1241I1201-V1203 PolarHBondContact O-N 2.81Å; V1203-G1240 WeakPolarHBondContact CG1-O 3.32Å; V1203-K1241 WeakPolarHBondContact CG1-O 3.48Å
1204N44.4Very low62.2Low133 Ų13358.3 Ų58.371%0.71135%0.351SS*.THydrogen-bonded Turntrans-107.10.3-179.4-75.8-9000112.8T1202 T1206T1202-N1204 HydrophobicContact CG2-CB 4.37Å; T1202-N1204 PolarHBondContact O-N 3.29Å; N1204-T1206 PolarHBondContact O-N 2.87Å
1205S50.1Low62.5Low52 Ų5257.7 Ų57.736%0.36435%0.347SS..  trans-71.893.5168.959.50000109.7T1207S1205-T1207 PolarHBondContact O-N 2.82Å; S1205-T1207 VanDerWaalsContact O-N 3.15Å
1206T51.2Low63.1Low141 Ų14158.8 Ų58.887%0.86535%0.353SS*.  trans-65.4-11.618048.70000114.2N1204 S1208N1204-T1206 PolarHBondContact O-N 2.87Å; T1206-S1208 PolarHBondContact O-N 3.47Å
1207T55.8Low64.1Low86 Ų8656.7 Ų56.753%0.52834%0.338SS..  trans-66.5105.7175.2490000111.5S1205S1205-T1207 PolarHBondContact O-N 2.82Å; S1205-T1207 VanDerWaalsContact O-N 3.15Å
1208S66.2Low65.8Low9 Ų956.1 Ų56.16%0.06332%0.323CS..  trans-61.9133.4172.1176.10000110.6T1206 A1210 E1211 D1237T1206-S1208 PolarHBondContact O-N 3.47Å; S1208-A1210 PolarHBondContact O-N 3.25Å; S1208-A1210 VanDerWaalsContact O-N 3.17Å; S1208-A1210 WeakPolarHBondContact OG-CB 3.31Å; S1208-A1210 PolarHBondContact OG-N 3.32Å; S1208-E1211 WeakPolarHBondContact O-CB 3.36Å; S1208-E1211 PolarHBondContact O-N 2.83Å; S1208-D1237 WeakPolarHBondContact CB-OD2 3.45Å; S1208-D1237 PolarHBondContact OG-OD1 3.4Å; S1208-D1237 PolarHBondContact OG-OD2 3.18Å
1209L70.4Confident67.6Low21 Ų2157.9 Ų57.911%0.1133%0.333CS..G310 helixtrans-56.9-34.3176.9-17963.9000111.2L1193 E1211 N1212 C1239 Y1273L1193-L1209 HydrophobicContact CB-CD2 4.44Å; L1193-L1209 HydrophobicContact CD1-CD2 4.09Å; L1209-E1211 PolarHBondContact O-N 3.49Å; L1209-N1212 PolarHBondContact O-N 3.38Å; L1209-C1239 HydrophobicContact CB-CB 3.82Å; L1209-C1239 HydrophobicContact CD2-CB 3.59Å; L1209-C1239 HydrophobicContact CG-CB 4.35Å; L1209-Y1273 HydrophobicContact CD1-CE1 4.27Å; L1209-Y1273 HydrophobicContact CD2-CD1 4.39Å; L1209-Y1273 HydrophobicContact CD2-CE1 3.81Å
1210A68.8Low70Confident0 Ų058.9 Ų58.90%033%0.332CS..G310 helixtrans-58.6-16.9177.900000115.5S1208 N1212 I1234 T1247S1208-A1210 PolarHBondContact O-N 3.25Å; S1208-A1210 VanDerWaalsContact O-N 3.17Å; S1208-A1210 WeakPolarHBondContact OG-CB 3.31Å; S1208-A1210 PolarHBondContact OG-N 3.32Å; A1210-N1212 VanDerWaalsContact C-N 3.3Å; A1210-I1234 HydrophobicContact CB-CD1 3.47Å; A1210-I1234 VanDerWaalsContact CB-CD1 3.47Å; A1210-I1234 HydrophobicContact CB-CG1 3.66Å; A1210-I1234 HydrophobicContact CB-CG2 4.29Å; A1210-T1247 HydrophobicContact CB-CG2 4.1Å
1211E72.8Confident72.3Confident90 Ų9052.6 Ų52.642%0.42130%0.298SS..G310 helixtrans-80.9-13.5177-68.8169-167.700112.7S1208 L1209 R1225 Y1226S1208-E1211 WeakPolarHBondContact O-CB 3.36Å; S1208-E1211 PolarHBondContact O-N 2.83Å; L1209-E1211 PolarHBondContact O-N 3.49Å; E1211-R1225 IonicContact OE1-CZ 3.29Å; E1211-R1225 IonicContact OE1-NH1 2.71Å; E1211-R1225 PolarHBondContact OE1-NH1 2.93Å; E1211-Y1226 HydrophobicContact CG-CE2 4.28Å; E1211-Y1226 PolarHBondContact OE1-OH 3.37Å
1212N76.2Confident74.6Confident32 Ų3252 Ų5217%0.17130%0.295CS..SBendtrans-112.710.3-177.9-69.7-76.7000113.7L1209 A1210 I1266 H1267L1209-N1212 PolarHBondContact O-N 3.38Å; A1210-N1212 VanDerWaalsContact C-N 3.3Å; N1212-I1266 HydrophobicContact CB-CB 3.99Å; N1212-I1266 WeakPolarHBondContact CB-O 3.18Å; N1212-I1266 PolarHBondContact O-N 3.29Å; N1212-H1267 PolarHBondContact OD1-ND1 3.03Å; N1212-H1267 VanDerWaalsContact OD1-ND1 3.07Å
1213I85.7Confident77.1Confident3 Ų347.3 Ų47.32%0.01527%0.266CS..EExtended strand (participates in β ladder)trans-93126.5177.1-55.7174.2000109.6L1193 L1215 F1232 T1247 V1249 I1263 L1265L1193-I1213 HydrophobicContact CD1-CD1 3.63Å; L1193-I1213 HydrophobicContact CD1-CG1 4.08Å; I1213-L1215 HydrophobicContact CG2-CD2 3.83Å; I1213-L1215 HydrophobicContact CG2-CG 4.12Å; I1213-F1232 HydrophobicContact CB-CZ 4.09Å; I1213-F1232 HydrophobicContact CG2-CE1 4.42Å; I1213-F1232 HydrophobicContact CG2-CZ 4.32Å; I1213-F1232 WeakPolarHBondContact O-CE1 3.47Å; I1213-F1232 VanDerWaalsContact O-CZ 3.31Å; I1213-F1232 WeakPolarHBondContact O-CZ 3.22Å; I1213-T1247 HydrophobicContact CD1-CG2 4.18Å; I1213-V1249 HydrophobicContact CD1-CG2 3.89Å; I1213-I1263 HydrophobicContact CG2-CD1 4.07Å; I1213-I1263 HydrophobicContact CG2-CG1 4.26Å; I1213-L1265 HydrophobicContact CG1-CD2 4.01Å; I1213-L1265 HydrophobicContact CG2-CD2 4.48Å
1214L90.2Very high79Confident27 Ų2746.5 Ų46.514%0.14126%0.256CS..EExtended strand (participates in β ladder)trans-114.4145159.4-46.2172.8000108.6W1158 I1222 E1224 I1263 N1264 I1266W1158-L1214 HydrophobicContact CH2-CB 4.26Å; L1214-I1222 HydrophobicContact CB-CG2 4.14Å; L1214-E1224 HydrophobicContact CD2-CB 4.35Å; L1214-E1224 HydrophobicContact CD2-CG 3.91Å; L1214-I1263 WeakPolarHBondContact O-CA 3.35Å; L1214-N1264 HydrophobicContact CB-CB 3.92Å; L1214-N1264 HydrophobicContact CD1-CB 4.21Å; L1214-N1264 HydrophobicContact CG-CB 4.34Å; L1214-N1264 PolarHBondContact N-O 3.29Å; L1214-N1264 PolarHBondContact O-N 3.02Å; L1214-I1266 HydrophobicContact CD1-CD1 4.04Å; L1214-I1266 HydrophobicContact CD2-CD1 4.47Å; L1214-I1266 HydrophobicContact CG-CD1 4.07Å
1215L92.9Very high81Confident0 Ų043.4 Ų43.40%023%0.234CC..EExtended strand (participates in β ladder)trans-122.1140.3174.4-54173.3000109.6I1213 I1222 L1223 F1232 V1249 I1251 I1260 I1263I1213-L1215 HydrophobicContact CG2-CD2 3.83Å; I1213-L1215 HydrophobicContact CG2-CG 4.12Å; L1215-I1222 CarbonylContact O-C 3.59Å; L1215-I1222 WeakPolarHBondContact O-CA 3.32Å; L1215-L1223 HydrophobicContact CB-CB 4.27Å; L1215-L1223 HydrophobicContact CB-CD1 4.48Å; L1215-L1223 PolarHBondContact N-O 3.48Å; L1215-L1223 VanDerWaalsContact N-O 3.17Å; L1215-L1223 PolarHBondContact O-N 2.86Å; L1215-F1232 HydrophobicContact CD1-CD1 3.92Å; L1215-F1232 HydrophobicContact CD1-CE1 4.5Å; L1215-F1232 HydrophobicContact CD1-CG 4.43Å; L1215-F1232 HydrophobicContact CG-CD1 4.24Å; L1215-F1232 HydrophobicContact CG-CE1 4.39Å; L1215-V1249 HydrophobicContact CD1-CG1 3.97Å; L1215-I1251 HydrophobicContact CD1-CD1 3.76Å; L1215-I1251 HydrophobicContact CD1-CG1 3.77Å; L1215-I1260 HydrophobicContact CB-CD1 4.03Å; L1215-I1260 HydrophobicContact CB-CG1 4.5Å; L1215-I1260 HydrophobicContact CB-CG2 4.07Å; L1215-I1260 HydrophobicContact CD1-CD1 4.31Å; L1215-I1260 HydrophobicContact CD1-CG1 4.35Å; L1215-I1260 HydrophobicContact CD2-CG2 4.29Å; L1215-I1263 HydrophobicContact CD2-CB 3.96Å; L1215-I1263 HydrophobicContact CD2-CD1 3.65Å; L1215-I1263 HydrophobicContact CD2-CG1 3.71Å
1216L93.2Very high82.7Confident23 Ų2348.3 Ų48.312%0.1225%0.246CC..EExtended strand (participates in β ladder)trans-94.5113.8171.6-172.863.8000109.1W1158 D1220 I1222 I1260 R1261 D1262W1158-L1216 HydrophobicContact CE3-CB 4.42Å; W1158-L1216 HydrophobicContact CH2-CB 3.93Å; W1158-L1216 HydrophobicContact CZ3-CB 3.74Å; L1216-D1220 WeakPolarHBondContact CD1-O 3.42Å; L1216-I1222 HydrophobicContact CD1-CG1 4.3Å; L1216-I1260 CarbonylContact O-C 3.59Å; L1216-I1260 WeakPolarHBondContact O-CA 3.34Å; L1216-R1261 PolarHBondContact O-N 3.41Å; L1216-D1262 HydrophobicContact CB-CB 3.91Å; L1216-D1262 HydrophobicContact CD2-CB 4.11Å; L1216-D1262 PolarHBondContact N-O 2.98Å
1217G94Very high84.4Confident0 Ų044.7 Ų44.70%022%0.219CC..EExtended strand (participates in β ladder)trans-73.2167.2172.200000112.8D1219 D1220 T1221 K1257G1217-D1219 PolarHBondContact O-N 3.31Å; G1217-D1220 PolarHBondContact O-N 2.93Å; G1217-T1221 PolarHBondContact N-O 3.06Å; G1217-K1257 WeakPolarHBondContact CA-O 3.48Å
1218D94Very high85.7Confident38 Ų3845.2 Ų45.220%0.20322%0.224CC..THydrogen-bonded Turntrans-58.5-44.8179.6-179.3112.8000113.1K1181 D1220 K1257 L1258 P1259 R1261K1181-D1218 WeakPolarHBondContact CE-OD1 3.41Å; K1181-D1218 WeakPolarHBondContact CE-OD2 3.44Å; K1181-D1218 IonicContact NZ-OD1 3.67Å; K1181-D1218 PolarHBondContact NZ-OD1 2.68Å; K1181-D1218 IonicContact NZ-OD2 3.08Å; K1181-D1218 PolarHBondContact NZ-OD2 2.75Å; D1218-D1220 PolarHBondContact O-N 2.87Å; D1218-K1257 PolarHBondContact N-O 3.02Å; D1218-L1258 WeakPolarHBondContact CB-O 3.31Å; D1218-P1259 WeakPolarHBondContact CB-O 3.41Å; D1218-P1259 PolarHBondContact N-O 3.46Å; D1218-P1259 VanDerWaalsContact N-O 3.12Å; D1218-R1261 PolarHBondContact O-NH1 3.45Å
1219D92.7Very high86.4Confident57 Ų5751.6 Ų51.631%0.30526%0.256SS..THydrogen-bonded Turntrans-73.128.5173.266.64.9000115.2G1217 T1221 S1256 K1257G1217-D1219 PolarHBondContact O-N 3.31Å; D1219-T1221 VanDerWaalsContact CG-OG1 3.29Å; D1219-T1221 PolarHBondContact O-N 2.92Å; D1219-T1221 WeakPolarHBondContact OD1-CB 3.5Å; D1219-T1221 PolarHBondContact OD1-N 3.06Å; D1219-T1221 PolarHBondContact OD1-OG1 3.47Å; D1219-S1256 VanDerWaalsContact CB-O 3.23Å; D1219-S1256 WeakPolarHBondContact CB-O 3.49Å; D1219-S1256 PolarHBondContact N-O 3.35Å; D1219-K1257 VanDerWaalsContact OD2-CG 3.25Å; D1219-K1257 WeakPolarHBondContact OD2-CG 3.31Å
1220D92.9Very high87.1Confident106 Ų10655.7 Ų55.757%0.56727%0.27SS*.SBendtrans53.212.4-173.5-57.3-46.6000114.5L1216 G1217 D1218 I1222 R1261L1216-D1220 WeakPolarHBondContact CD1-O 3.42Å; G1217-D1220 PolarHBondContact O-N 2.93Å; D1218-D1220 PolarHBondContact O-N 2.87Å; D1220-I1222 PolarHBondContact O-N 3.01Å; D1220-R1261 IonicContact OD1-CZ 3.57Å; D1220-R1261 IonicContact OD1-NH1 2.83Å; D1220-R1261 PolarHBondContact OD1-NH1 3.15Å; D1220-R1261 IonicContact OD1-NH2 3.76Å
1221T93.1Very high88.1Confident11 Ų1162 Ų627%0.06730%0.298CS..  trans-73.6115.4179-650000110.9G1217 D1219 L1223 R1230G1217-T1221 PolarHBondContact N-O 3.06Å; D1219-T1221 VanDerWaalsContact CG-OG1 3.29Å; D1219-T1221 PolarHBondContact O-N 2.92Å; D1219-T1221 WeakPolarHBondContact OD1-CB 3.5Å; D1219-T1221 PolarHBondContact OD1-N 3.06Å; D1219-T1221 PolarHBondContact OD1-OG1 3.47Å; T1221-L1223 HydrophobicContact CG2-CD2 3.77Å; T1221-L1223 PolarHBondContact O-N 3.17Å; T1221-R1230 HydrophobicContact CG2-CB 4.31Å; T1221-R1230 HydrophobicContact CG2-CG 3.78Å
1222I93.1Very high89Confident59 Ų5958.1 Ų58.130%0.30328%0.279SS..EExtended strand (participates in β ladder)trans-64.4126.1162.8-56.8177.8000109.7W1158 L1214 L1215 L1216 D1220 E1224W1158-I1222 HydrophobicContact CH2-CG1 4.3Å; W1158-I1222 HydrophobicContact CZ2-CD1 4.13Å; W1158-I1222 HydrophobicContact CZ2-CG1 4.26Å; L1214-I1222 HydrophobicContact CB-CG2 4.14Å; L1215-I1222 CarbonylContact O-C 3.59Å; L1215-I1222 WeakPolarHBondContact O-CA 3.32Å; L1216-I1222 HydrophobicContact CD1-CG1 4.3Å; D1220-I1222 PolarHBondContact O-N 3.01Å; I1222-E1224 HydrophobicContact CG2-CG 4.05Å
1223L92.3Very high89.7Confident4 Ų461.9 Ų61.92%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-105.1135.8175.6-52.2176.1000110.5L1215 T1221 R1230 F1232 I1251 K1257 I1260L1215-L1223 HydrophobicContact CB-CB 4.27Å; L1215-L1223 HydrophobicContact CB-CD1 4.48Å; L1215-L1223 PolarHBondContact N-O 3.48Å; L1215-L1223 VanDerWaalsContact N-O 3.17Å; L1215-L1223 PolarHBondContact O-N 2.86Å; T1221-L1223 HydrophobicContact CG2-CD2 3.77Å; T1221-L1223 PolarHBondContact O-N 3.17Å; L1223-R1230 CarbonylContact C-O 3.59Å; L1223-R1230 WeakPolarHBondContact CA-O 3.5Å; L1223-R1230 WeakPolarHBondContact CB-O 3.4Å; L1223-R1230 HydrophobicContact CD2-CB 4.12Å; L1223-R1230 WeakPolarHBondContact CD2-O 3.31Å; L1223-F1232 HydrophobicContact CB-CD1 4.07Å; L1223-F1232 WeakPolarHBondContact O-CE1 3.43Å; L1223-I1251 HydrophobicContact CD1-CG1 4.44Å; L1223-I1251 HydrophobicContact CD1-CG2 3.79Å; L1223-K1257 HydrophobicContact CD2-CD 4.13Å; L1223-I1260 HydrophobicContact CD1-CD1 3.7Å
1224E89.9Confident89.8Confident84 Ų8463.1 Ų63.139%0.39330%0.302SS..EExtended strand (participates in β ladder)trans-141.9137-170.9-42.1-176.9-179.500111.4L1214 I1222 Y1226 H1227 R1230 K1231L1214-E1224 HydrophobicContact CD2-CB 4.35Å; L1214-E1224 HydrophobicContact CD2-CG 3.91Å; I1222-E1224 HydrophobicContact CG2-CG 4.05Å; E1224-Y1226 PolarHBondContact O-N 2.72Å; E1224-H1227 HydrophobicContact CB-CB 4.14Å; E1224-H1227 PolarHBondContact O-N 2.73Å; E1224-R1230 PolarHBondContact N-O 3.41Å; E1224-K1231 WeakPolarHBondContact O-CA 3.32Å
1225R86.3Confident89.8Confident69 Ų6965.3 Ų65.326%0.2631%0.312SS..THydrogen-bonded Turntrans-44.3-37.5-174-167.1-172.9-168-157.719.6115E1211 F1232 I1234E1211-R1225 IonicContact OE1-CZ 3.29Å; E1211-R1225 IonicContact OE1-NH1 2.71Å; E1211-R1225 PolarHBondContact OE1-NH1 2.93Å; R1225-F1232 HydrophobicContact CB-CE2 3.64Å; R1225-F1232 HydrophobicContact CB-CZ 3.82Å; R1225-F1232 HydrophobicContact CG-CE2 4.04Å; R1225-F1232 VanDerWaalsContact N-CZ 3.3Å; R1225-I1234 HydrophobicContact CG-CG1 4.46Å
1226Y85.2Confident89.6Confident154 Ų15468.9 Ų68.960%0.60433%0.328SS*.THydrogen-bonded Turntrans-105-8.1-172.6-59.7-70.7000114.9E1211 E1224E1211-Y1226 HydrophobicContact CG-CE2 4.28Å; E1211-Y1226 PolarHBondContact OE1-OH 3.37Å; E1224-Y1226 PolarHBondContact O-N 2.72Å
1227H87.4Confident89.3Confident65 Ų6568.9 Ų68.930%0.30133%0.328SS..  trans-72.4123.1-172.5-172.6-81.5000111.7E1224 L1229 R1230 K1231E1224-H1227 HydrophobicContact CB-CB 4.14Å; E1224-H1227 PolarHBondContact O-N 2.73Å; H1227-L1229 VanDerWaalsContact C-N 3.27Å; H1227-L1229 PolarHBondContact ND1-N 3.37Å; H1227-L1229 PolarHBondContact O-N 2.6Å; H1227-R1230 HydrophobicContact CB-CB 4.04Å; H1227-R1230 VanDerWaalsContact ND1-CB 3.26Å; H1227-R1230 WeakPolarHBondContact ND1-CB 3.42Å; H1227-R1230 WeakPolarHBondContact ND1-CG 3.19Å; H1227-R1230 PolarHBondContact ND1-N 2.78Å; H1227-R1230 VanDerWaalsContact ND1-N 3.14Å; H1227-R1230 PolarHBondContact O-N 2.67Å; H1227-R1230 VanDerWaalsContact O-N 3.08Å; H1227-K1231 VanDerWaalsContact O-CB 3.28Å; H1227-K1231 WeakPolarHBondContact O-CB 3.4Å; H1227-K1231 PolarHBondContact O-N 3.48Å
1228P82.3Confident88.9Confident98 Ų9871.6 Ų71.664%0.63634%0.341SS*.THydrogen-bonded Turntrans-57.5-35.9-166.319.9-32.8000114.3
1229L80.1Confident88.2Confident142 Ų14270.1 Ų70.174%0.74333%0.334SS*.THydrogen-bonded Turntrans-109.12.3-178.6-57.6176.8000114.2H1227 K1257H1227-L1229 VanDerWaalsContact C-N 3.27Å; H1227-L1229 PolarHBondContact ND1-N 3.37Å; H1227-L1229 PolarHBondContact O-N 2.6Å; L1229-K1257 PolarHBondContact O-NZ 3.39Å
1230R86.4Confident87Confident108 Ų10868.2 Ų68.241%0.40833%0.328SS..THydrogen-bonded Turntrans-139.319.1-173.3-58175.3167.6-159.1-7.7112.8T1221 L1223 E1224 H1227T1221-R1230 HydrophobicContact CG2-CB 4.31Å; T1221-R1230 HydrophobicContact CG2-CG 3.78Å; L1223-R1230 CarbonylContact C-O 3.59Å; L1223-R1230 WeakPolarHBondContact CA-O 3.5Å; L1223-R1230 WeakPolarHBondContact CB-O 3.4Å; L1223-R1230 HydrophobicContact CD2-CB 4.12Å; L1223-R1230 WeakPolarHBondContact CD2-O 3.31Å; E1224-R1230 PolarHBondContact N-O 3.41Å; H1227-R1230 HydrophobicContact CB-CB 4.04Å; H1227-R1230 VanDerWaalsContact ND1-CB 3.26Å; H1227-R1230 WeakPolarHBondContact ND1-CB 3.42Å; H1227-R1230 WeakPolarHBondContact ND1-CG 3.19Å; H1227-R1230 PolarHBondContact ND1-N 2.78Å; H1227-R1230 VanDerWaalsContact ND1-N 3.14Å; H1227-R1230 PolarHBondContact O-N 2.67Å; H1227-R1230 VanDerWaalsContact O-N 3.08Å
1231K89Confident86.1Confident132 Ų13268.8 Ų68.857%0.57433%0.325SS*.PPolyproline II helixtrans-77.2133.8177.959.3-173.5178.8-176.80113.1E1224 H1227E1224-K1231 WeakPolarHBondContact O-CA 3.32Å; H1227-K1231 VanDerWaalsContact O-CB 3.28Å; H1227-K1231 WeakPolarHBondContact O-CB 3.4Å; H1227-K1231 PolarHBondContact O-N 3.48Å
1232F91.2Very high85.2Confident8 Ų872.2 Ų72.24%0.03534%0.342CS..PPolyproline II helixtrans-81.3163.1155.153-109.9000110.2I1213 L1215 L1223 R1225 I1234 V1249 I1251I1213-F1232 HydrophobicContact CB-CZ 4.09Å; I1213-F1232 HydrophobicContact CG2-CE1 4.42Å; I1213-F1232 HydrophobicContact CG2-CZ 4.32Å; I1213-F1232 WeakPolarHBondContact O-CE1 3.47Å; I1213-F1232 VanDerWaalsContact O-CZ 3.31Å; I1213-F1232 WeakPolarHBondContact O-CZ 3.22Å; L1215-F1232 HydrophobicContact CD1-CD1 3.92Å; L1215-F1232 HydrophobicContact CD1-CE1 4.5Å; L1215-F1232 HydrophobicContact CD1-CG 4.43Å; L1215-F1232 HydrophobicContact CG-CD1 4.24Å; L1215-F1232 HydrophobicContact CG-CE1 4.39Å; L1223-F1232 HydrophobicContact CB-CD1 4.07Å; L1223-F1232 WeakPolarHBondContact O-CE1 3.43Å; R1225-F1232 HydrophobicContact CB-CE2 3.64Å; R1225-F1232 HydrophobicContact CB-CZ 3.82Å; R1225-F1232 HydrophobicContact CG-CE2 4.04Å; R1225-F1232 VanDerWaalsContact N-CZ 3.3Å; F1232-I1234 HydrophobicContact CD2-CD1 3.96Å; F1232-I1234 HydrophobicContact CD2-CG1 4.46Å; F1232-I1234 HydrophobicContact CE2-CD1 3.75Å; F1232-I1234 HydrophobicContact CE2-CG1 4.31Å; F1232-V1249 HydrophobicContact CB-CG1 3.48Å; F1232-V1249 VanDerWaalsContact CB-CG1 3.48Å; F1232-V1249 HydrophobicContact CD1-CG1 4.27Å; F1232-V1249 HydrophobicContact CD2-CG1 3.54Å; F1232-V1249 HydrophobicContact CE2-CG1 4.32Å; F1232-V1249 HydrophobicContact CG-CG1 3.5Å; F1232-I1251 HydrophobicContact CB-CG1 4.08Å
1233H90.9Very high84Confident111 Ų11173.3 Ų73.351%0.51435%0.352SS..EExtended strand (participates in β ladder)trans-101.6151.5171.9-16560.9000111V1249 L1250H1233-V1249 WeakPolarHBondContact O-CA 3.36Å; H1233-L1250 PolarHBondContact N-O 3.24Å; H1233-L1250 PolarHBondContact O-N 3.47Å
1234I89.5Confident83.4Confident29 Ų2977.9 Ų77.915%0.14938%0.376CS..EExtended strand (participates in β ladder)trans-105.7111.8174.3-62.1-61.3000107.8A1210 R1225 F1232 D1237 V1249A1210-I1234 HydrophobicContact CB-CD1 3.47Å; A1210-I1234 VanDerWaalsContact CB-CD1 3.47Å; A1210-I1234 HydrophobicContact CB-CG1 3.66Å; A1210-I1234 HydrophobicContact CB-CG2 4.29Å; R1225-I1234 HydrophobicContact CG-CG1 4.46Å; F1232-I1234 HydrophobicContact CD2-CD1 3.96Å; F1232-I1234 HydrophobicContact CD2-CG1 4.46Å; F1232-I1234 HydrophobicContact CE2-CD1 3.75Å; F1232-I1234 HydrophobicContact CE2-CG1 4.31Å; I1234-D1237 HydrophobicContact CG2-CB 3.89Å; I1234-V1249 HydrophobicContact CD1-CG2 3.91Å
1235E89.6Confident83.1Confident73 Ų7373.9 Ų73.934%0.34136%0.357SS..EExtended strand (participates in β ladder)trans-84.2-36.2-179.8-173.6-179.1-143.800111.2R1190 T1248R1190-E1235 IonicContact CZ-OE2 2.79Å; R1190-E1235 IonicContact NE-OE2 2.63Å; R1190-E1235 PolarHBondContact NE-OE2 3.42Å; R1190-E1235 IonicContact NH2-OE1 2.61Å; R1190-E1235 IonicContact NH2-OE2 3.82Å; R1190-E1235 PolarHBondContact NH2-OE2 3.07Å; E1235-T1248 HydrophobicContact CB-CG2 4.41Å; E1235-T1248 PolarHBondContact N-O 3.5Å
1236Q88.3Confident83.2Confident75 Ų7575.2 Ų75.235%0.3536%0.363SS..EExtended strand (participates in β ladder)trans-149140.2-177.9-172.3171.84.800108.9Q1238 T1247 T1248Q1236-Q1238 HydrophobicContact CG-CG 4.15Å; Q1236-Q1238 VanDerWaalsContact NE2-CD 3.28Å; Q1236-Q1238 VanDerWaalsContact NE2-NE2 3.1Å; Q1236-T1247 CarbonylContact O-C 3.54Å; Q1236-T1247 WeakPolarHBondContact O-CA 3.37Å; Q1236-T1248 PolarHBondContact N-O 3.14Å; Q1236-T1248 PolarHBondContact O-N 3.29Å
1237D87.2Confident83.3Confident23 Ų2367.9 Ų67.912%0.12334%0.335CS..EExtended strand (participates in β ladder)trans-144.8100.5176.9176.155.6000109.5S1208 I1234 K1241 T1247S1208-D1237 WeakPolarHBondContact CB-OD2 3.45Å; S1208-D1237 PolarHBondContact OG-OD1 3.4Å; S1208-D1237 PolarHBondContact OG-OD2 3.18Å; I1234-D1237 HydrophobicContact CG2-CB 3.89Å; D1237-K1241 WeakPolarHBondContact O-CD 3.44Å; D1237-K1241 PolarHBondContact O-NZ 3.46Å; D1237-K1241 IonicContact OD2-NZ 2.66Å; D1237-K1241 PolarHBondContact OD2-NZ 3.49Å; D1237-T1247 HydrophobicContact CB-CG2 4.29Å; D1237-T1247 WeakPolarHBondContact OD1-CG2 3.38Å; D1237-T1247 PolarHBondContact OD1-OG1 3.19Å
1238Q85.6Confident83.6Confident58 Ų5864.9 Ų64.927%0.27132%0.321SS..  trans-115-13.5-178.9-66.9175.8-31.300113Q1236 G1240 K1241 I1242 Y1246Q1236-Q1238 HydrophobicContact CG-CG 4.15Å; Q1236-Q1238 VanDerWaalsContact NE2-CD 3.28Å; Q1236-Q1238 VanDerWaalsContact NE2-NE2 3.1Å; Q1238-G1240 PolarHBondContact O-N 3.37Å; Q1238-K1241 WeakPolarHBondContact O-CB 3.47Å; Q1238-K1241 PolarHBondContact O-N 2.96Å; Q1238-I1242 HydrophobicContact CB-CD1 4Å; Q1238-I1242 HydrophobicContact CB-CG1 3.98Å; Q1238-I1242 HydrophobicContact CG-CD1 4.24Å; Q1238-I1242 PolarHBondContact O-N 3.15Å; Q1238-Y1246 WeakPolarHBondContact CB-O 3.38Å; Q1238-Y1246 PolarHBondContact N-O 3.48Å
1239C78.7Confident84Confident6 Ų660.3 Ų60.34%0.04129%0.291CS..THydrogen-bonded Turntrans-64.2134.4177-65.90000111.4C1195 L1209 K1241 T1247C1195-C1239 HydrophobicContact CB-CB 3.96Å; C1195-C1239 WeakPolarHBondContact CB-SG 3.28Å; C1195-C1239 WeakPolarHBondContact SG-CA 3.43Å; C1195-C1239 WeakPolarHBondContact SG-CB 3.21Å; C1195-C1239 CovalentContact SG-SG 2.03Å; C1195-C1239 PolarHBondContact SG-SG 3.14Å; L1209-C1239 HydrophobicContact CB-CB 3.82Å; L1209-C1239 HydrophobicContact CD2-CB 3.59Å; L1209-C1239 HydrophobicContact CG-CB 4.35Å; C1239-K1241 PolarHBondContact O-N 3.46Å; C1239-T1247 WeakPolarHBondContact CB-OG1 3.33Å; C1239-T1247 PolarHBondContact N-OG1 2.75Å; C1239-T1247 PolarHBondContact SG-OG1 3.04Å
1240G67.8Low84.7Confident18 Ų1855.5 Ų55.519%0.18627%0.266CS..THydrogen-bonded Turntrans78.2-5.4-17000000115.2V1203 Q1238V1203-G1240 WeakPolarHBondContact CG1-O 3.32Å; Q1238-G1240 PolarHBondContact O-N 3.37Å
1241K73.4Confident85Confident118 Ų11850.8 Ų50.851%0.51325%0.249SC..THydrogen-bonded Turntrans-111.1-29.6-179.8-59.4172.4-164.9153.50113.5V1203 D1237 Q1238 C1239V1203-K1241 WeakPolarHBondContact CG1-O 3.48Å; D1237-K1241 WeakPolarHBondContact O-CD 3.44Å; D1237-K1241 PolarHBondContact O-NZ 3.46Å; D1237-K1241 IonicContact OD2-NZ 2.66Å; D1237-K1241 PolarHBondContact OD2-NZ 3.49Å; Q1238-K1241 WeakPolarHBondContact O-CB 3.47Å; Q1238-K1241 PolarHBondContact O-N 2.96Å; C1239-K1241 PolarHBondContact O-N 3.46Å
1242I74.4Confident85Confident83 Ų8349.7 Ų49.743%0.42625%0.245SC..SBendtrans-138.6155.5172.361.6178.2000110.2Q1238Q1238-I1242 HydrophobicContact CB-CD1 4Å; Q1238-I1242 HydrophobicContact CB-CG1 3.98Å; Q1238-I1242 HydrophobicContact CG-CD1 4.24Å; Q1238-I1242 PolarHBondContact O-N 3.15Å
1243T69.2Low84.9Confident82 Ų8250.6 Ų50.650%0.50326%0.257SS..THydrogen-bonded Turntrans-65.8135.2164.136.20000110L1198 G1245L1198-T1243 HydrophobicContact CB-CG2 4.31Å; L1198-T1243 WeakPolarHBondContact O-CG2 3.47Å; T1243-G1245 PolarHBondContact O-N 3.36Å
1244N79.6Confident84.9Confident99 Ų9949.3 Ų49.353%0.52925%0.253SS..THydrogen-bonded Turntrans57.643-179.6-53.6-14.5000113.5C1195 S1196 G1197C1195-N1244 VanDerWaalsContact O-CA 3.32Å; C1195-N1244 WeakPolarHBondContact O-CA 3.22Å; C1195-N1244 PolarHBondContact O-N 3.22Å; S1196-N1244 WeakPolarHBondContact CA-OD1 3.43Å; G1197-N1244 PolarHBondContact N-OD1 3.2Å
1245G82Confident85.2Confident0 Ų048.2 Ų48.20%025%0.248CC..EExtended strand (participates in β ladder)trans-82.5172.6175.700000113.8C1195 T1243C1195-G1245 PolarHBondContact N-O 3.15Å; C1195-G1245 PolarHBondContact SG-O 3.44Å; T1243-G1245 PolarHBondContact O-N 3.36Å
1246Y88.5Confident85.4Confident98 Ų9847.1 Ų47.138%0.38425%0.249SC..EExtended strand (participates in β ladder)trans-120.7138.8171.1-63-93.8000111.9L1193 Q1238 I1276L1193-Y1246 CarbonylContact O-C 3.58Å; L1193-Y1246 WeakPolarHBondContact O-CA 3.43Å; Q1238-Y1246 WeakPolarHBondContact CB-O 3.38Å; Q1238-Y1246 PolarHBondContact N-O 3.48Å; Y1246-I1276 HydrophobicContact CD1-CD1 4.45Å; Y1246-I1276 HydrophobicContact CE1-CD1 3.84Å
1247T88.9Confident85.6Confident0 Ų045.6 Ų45.60%024%0.241CC..EExtended strand (participates in β ladder)trans-113.8117164-66.50000108.7S1192 L1193 A1210 I1213 Q1236 D1237 C1239S1192-T1247 WeakPolarHBondContact CA-O 3.19Å; L1193-T1247 PolarHBondContact N-O 3.08Å; L1193-T1247 PolarHBondContact O-N 3.13Å; A1210-T1247 HydrophobicContact CB-CG2 4.1Å; I1213-T1247 HydrophobicContact CD1-CG2 4.18Å; Q1236-T1247 CarbonylContact O-C 3.54Å; Q1236-T1247 WeakPolarHBondContact O-CA 3.37Å; D1237-T1247 HydrophobicContact CB-CG2 4.29Å; D1237-T1247 WeakPolarHBondContact OD1-CG2 3.38Å; D1237-T1247 PolarHBondContact OD1-OG1 3.19Å; C1239-T1247 WeakPolarHBondContact CB-OG1 3.33Å; C1239-T1247 PolarHBondContact N-OG1 2.75Å; C1239-T1247 PolarHBondContact SG-OG1 3.04Å
1248T91.9Very high86Confident2 Ų244.6 Ų44.61%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-115.3122-170.1-59.70000111.1R1190 I1191 S1192 E1235 Q1236R1190-T1248 HydrophobicContact CG-CG2 3.77Å; I1191-T1248 CarbonylContact O-C 3.55Å; I1191-T1248 WeakPolarHBondContact O-CA 3.38Å; S1192-T1248 WeakPolarHBondContact OG-CG2 3.25Å; S1192-T1248 PolarHBondContact OG-OG1 3.13Å; E1235-T1248 HydrophobicContact CB-CG2 4.41Å; E1235-T1248 PolarHBondContact N-O 3.5Å; Q1236-T1248 PolarHBondContact N-O 3.14Å; Q1236-T1248 PolarHBondContact O-N 3.29Å
1249V92.6Very high86.5Confident2 Ų242 Ų421%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-100.8133.4179.2-1710000109.4R1190 I1191 I1213 L1215 F1232 H1233 I1234 I1251R1190-V1249 WeakPolarHBondContact CA-O 3.45Å; I1191-V1249 PolarHBondContact N-O 3.16Å; I1191-V1249 PolarHBondContact O-N 3.36Å; I1213-V1249 HydrophobicContact CD1-CG2 3.89Å; L1215-V1249 HydrophobicContact CD1-CG1 3.97Å; F1232-V1249 HydrophobicContact CB-CG1 3.48Å; F1232-V1249 VanDerWaalsContact CB-CG1 3.48Å; F1232-V1249 HydrophobicContact CD1-CG1 4.27Å; F1232-V1249 HydrophobicContact CD2-CG1 3.54Å; F1232-V1249 HydrophobicContact CE2-CG1 4.32Å; F1232-V1249 HydrophobicContact CG-CG1 3.5Å; H1233-V1249 WeakPolarHBondContact O-CA 3.36Å; I1234-V1249 HydrophobicContact CD1-CG2 3.91Å; V1249-I1251 HydrophobicContact CG1-CD1 4.07Å; V1249-I1251 HydrophobicContact CG1-CG1 4.3Å
1250L93.3Very high87.3Confident41 Ų4141.7 Ų41.722%0.21522%0.222CC..EExtended strand (participates in β ladder)trans-116.5110.4173.3-179.766.7000109.1V1188 H1233V1188-L1250 HydrophobicContact CG1-CD1 3.69Å; H1233-L1250 PolarHBondContact N-O 3.24Å; H1233-L1250 PolarHBondContact O-N 3.47Å
1251I93Very high88.5Confident9 Ų943.8 Ų43.85%0.04622%0.224CC..EExtended strand (participates in β ladder)trans-94.7129.8174-48.890.1000107.6V1188 Q1189 I1191 L1215 L1223 F1232 V1249 L1258 I1260V1188-I1251 CarbonylContact C-O 3.56Å; V1188-I1251 VanDerWaalsContact CA-O 3.29Å; V1188-I1251 WeakPolarHBondContact CA-O 3.39Å; Q1189-I1251 PolarHBondContact N-O 2.94Å; Q1189-I1251 WeakPolarHBondContact O-CD1 3.23Å; Q1189-I1251 PolarHBondContact O-N 3.48Å; I1191-I1251 HydrophobicContact CD1-CD1 4.13Å; I1191-I1251 HydrophobicContact CG1-CD1 4.27Å; L1215-I1251 HydrophobicContact CD1-CD1 3.76Å; L1215-I1251 HydrophobicContact CD1-CG1 3.77Å; L1223-I1251 HydrophobicContact CD1-CG1 4.44Å; L1223-I1251 HydrophobicContact CD1-CG2 3.79Å; F1232-I1251 HydrophobicContact CB-CG1 4.08Å; V1249-I1251 HydrophobicContact CG1-CD1 4.07Å; V1249-I1251 HydrophobicContact CG1-CG1 4.3Å; I1251-L1258 HydrophobicContact CB-CD1 4.49Å; I1251-L1258 HydrophobicContact CB-CD2 4.17Å; I1251-L1258 HydrophobicContact CG2-CD1 4.22Å; I1251-L1258 HydrophobicContact CG2-CD2 3.94Å; I1251-L1258 HydrophobicContact CG2-CG 4.27Å; I1251-I1260 HydrophobicContact CD1-CG1 4.12Å; I1251-I1260 HydrophobicContact CG1-CD1 4.32Å; I1251-I1260 HydrophobicContact CG1-CG1 4.41Å
1252H90.2Very high89.4Confident109 Ų10938.3 Ų38.351%0.50520%0.2SC..EExtended strand (participates in β ladder)trans-145.1142.3174.163.3-79.5000110.2A1187 V1188A1187-H1252 WeakPolarHBondContact O-CA 3.25Å; V1188-H1252 HydrophobicContact CG1-CB 4.48Å; V1188-H1252 HydrophobicContact CG2-CB 3.84Å
1253G88.3Confident90.1Very high26 Ų2634.4 Ų34.427%0.26818%0.18SC..EExtended strand (participates in β ladder)trans145.8-143.1176.800000113.6M1186 A1187M1186-G1253 WeakPolarHBondContact CA-O 3.33Å; M1186-G1253 WeakPolarHBondContact CG-O 3.43Å; A1187-G1253 PolarHBondContact N-O 3.4Å; A1187-G1253 PolarHBondContact O-N 2.87Å
1254N91.4Very high90.9Very high84 Ų8430.7 Ų30.745%0.44916%0.157SC..  trans-52.1123.5-177.1-179.25.7000111.8S1256 K1257N1254-S1256 PolarHBondContact ND2-OG 3.45Å; N1254-S1256 PolarHBondContact O-N 3.4Å; N1254-S1256 VanDerWaalsContact O-N 3.12Å; N1254-S1256 PolarHBondContact OD1-N 3.34Å; N1254-S1256 VanDerWaalsContact OD1-N 3.08Å; N1254-S1256 PolarHBondContact OD1-OG 2.93Å; N1254-K1257 PolarHBondContact O-N 2.92Å
1255P94.5Very high90.8Very high6 Ų626.1 Ų26.14%0.03913%0.133CC..G310 helixtrans-49.8-31.7173.6-29.736.5000115.5K1181 A1187 K1257 L1258 Y1282K1181-P1255 HydrophobicContact CB-CB 4Å; K1181-P1255 HydrophobicContact CG-CB 4.27Å; A1187-P1255 HydrophobicContact CB-CB 4.24Å; A1187-P1255 HydrophobicContact CB-CG 4.36Å; P1255-K1257 PolarHBondContact O-N 3.07Å; P1255-K1257 VanDerWaalsContact O-N 3.16Å; P1255-L1258 PolarHBondContact O-N 3.01Å; P1255-L1258 VanDerWaalsContact O-O 3.09Å; P1255-Y1282 HydrophobicContact CB-CD1 4.14Å; P1255-Y1282 HydrophobicContact CB-CE1 4.05Å
1256S93.6Very high90.1Very high50 Ų5027.6 Ų27.635%0.3514%0.14SC..G310 helixtrans-59.4-25.2177.8-48.60000114.1D1219 N1254 L1258D1219-S1256 VanDerWaalsContact CB-O 3.23Å; D1219-S1256 WeakPolarHBondContact CB-O 3.49Å; D1219-S1256 PolarHBondContact N-O 3.35Å; N1254-S1256 PolarHBondContact ND2-OG 3.45Å; N1254-S1256 PolarHBondContact O-N 3.4Å; N1254-S1256 VanDerWaalsContact O-N 3.12Å; N1254-S1256 PolarHBondContact OD1-N 3.34Å; N1254-S1256 VanDerWaalsContact OD1-N 3.08Å; N1254-S1256 PolarHBondContact OD1-OG 2.93Å; S1256-L1258 VanDerWaalsContact C-N 3.31Å
1257K94Very high88.7Confident44 Ų4428.7 Ų28.719%0.19115%0.149CC..G310 helixtrans-85.3-3.4-177.3-68178.8172.7-1750113.8G1217 D1218 D1219 L1223 L1229 N1254 P1255G1217-K1257 WeakPolarHBondContact CA-O 3.48Å; D1218-K1257 PolarHBondContact N-O 3.02Å; D1219-K1257 VanDerWaalsContact OD2-CG 3.25Å; D1219-K1257 WeakPolarHBondContact OD2-CG 3.31Å; L1223-K1257 HydrophobicContact CD2-CD 4.13Å; L1229-K1257 PolarHBondContact O-NZ 3.39Å; N1254-K1257 PolarHBondContact O-N 2.92Å; P1255-K1257 PolarHBondContact O-N 3.07Å; P1255-K1257 VanDerWaalsContact O-N 3.16Å
1258L95.3Very high87.1Confident1 Ų129.9 Ų29.91%0.00516%0.155CC..  trans-128.2151.2-174.5-74.8177000110.7K1181 A1187 Q1189 D1218 I1251 P1255 S1256 I1260 V1280 Y1282K1181-L1258 WeakPolarHBondContact CE-O 3.37Å; A1187-L1258 HydrophobicContact CB-CB 4.08Å; A1187-L1258 HydrophobicContact CB-CD1 3.73Å; A1187-L1258 HydrophobicContact CB-CG 4.47Å; Q1189-L1258 HydrophobicContact CB-CD1 4.11Å; Q1189-L1258 HydrophobicContact CB-CD2 3.8Å; D1218-L1258 WeakPolarHBondContact CB-O 3.31Å; I1251-L1258 HydrophobicContact CB-CD1 4.49Å; I1251-L1258 HydrophobicContact CB-CD2 4.17Å; I1251-L1258 HydrophobicContact CG2-CD1 4.22Å; I1251-L1258 HydrophobicContact CG2-CD2 3.94Å; I1251-L1258 HydrophobicContact CG2-CG 4.27Å; P1255-L1258 PolarHBondContact O-N 3.01Å; P1255-L1258 VanDerWaalsContact O-O 3.09Å; S1256-L1258 VanDerWaalsContact C-N 3.31Å; L1258-I1260 HydrophobicContact CD2-CD1 3.71Å; L1258-I1260 HydrophobicContact CD2-CG1 3.82Å; L1258-V1280 HydrophobicContact CB-CG2 3.9Å; L1258-Y1282 VanDerWaalsContact C-OH 3.24Å; L1258-Y1282 PolarHBondContact O-OH 3.25Å
1259P96.1Very high85.4Confident4 Ų434.2 Ų34.23%0.02618%0.178CC..SBendcis-68170.8-1.130.9-36.5000114.4Y1170 L1177 D1218 V1280 Y1282Y1170-P1259 HydrophobicContact CD1-CB 4.24Å; Y1170-P1259 HydrophobicContact CD2-CB 3.74Å; Y1170-P1259 HydrophobicContact CD2-CG 3.6Å; Y1170-P1259 HydrophobicContact CE1-CB 3.89Å; Y1170-P1259 HydrophobicContact CE2-CB 3.36Å; Y1170-P1259 HydrophobicContact CE2-CG 3.63Å; Y1170-P1259 HydrophobicContact CG-CB 4.19Å; Y1170-P1259 HydrophobicContact CG-CG 4.19Å; Y1170-P1259 VanDerWaalsContact CZ-CB 3.44Å; L1177-P1259 HydrophobicContact CD2-CG 4.35Å; D1218-P1259 WeakPolarHBondContact CB-O 3.41Å; D1218-P1259 PolarHBondContact N-O 3.46Å; D1218-P1259 VanDerWaalsContact N-O 3.12Å; P1259-V1280 HydrophobicContact CB-CB 4.25Å; P1259-V1280 HydrophobicContact CB-CG1 4.11Å; P1259-V1280 HydrophobicContact CB-CG2 4.28Å; P1259-Y1282 WeakPolarHBondContact CD-OH 3.47Å
1260I95.2Very high83.5Confident0 Ų040.4 Ų40.40%022%0.216CC..EExtended strand (participates in β ladder)trans-73.9125.6166.1-59.5-53.7000109.6Y1170 I1191 L1215 L1216 L1223 I1251 L1258 D1262Y1170-I1260 WeakPolarHBondContact CE2-O 3.42Å; Y1170-I1260 PolarHBondContact OH-O 2.03Å; I1191-I1260 HydrophobicContact CD1-CB 3.77Å; I1191-I1260 HydrophobicContact CD1-CG1 3.69Å; I1191-I1260 HydrophobicContact CD1-CG2 3.97Å; L1215-I1260 HydrophobicContact CB-CD1 4.03Å; L1215-I1260 HydrophobicContact CB-CG1 4.5Å; L1215-I1260 HydrophobicContact CB-CG2 4.07Å; L1215-I1260 HydrophobicContact CD1-CD1 4.31Å; L1215-I1260 HydrophobicContact CD1-CG1 4.35Å; L1215-I1260 HydrophobicContact CD2-CG2 4.29Å; L1216-I1260 CarbonylContact O-C 3.59Å; L1216-I1260 WeakPolarHBondContact O-CA 3.34Å; L1223-I1260 HydrophobicContact CD1-CD1 3.7Å; I1251-I1260 HydrophobicContact CD1-CG1 4.12Å; I1251-I1260 HydrophobicContact CG1-CD1 4.32Å; I1251-I1260 HydrophobicContact CG1-CG1 4.41Å; L1258-I1260 HydrophobicContact CD2-CD1 3.71Å; L1258-I1260 HydrophobicContact CD2-CG1 3.82Å; I1260-D1262 VanDerWaalsContact CG2-O 3.23Å; I1260-D1262 WeakPolarHBondContact CG2-O 3.36Å
1261R92.9Very high82Confident62 Ų6239.4 Ų39.423%0.23421%0.211CC..EExtended strand (participates in β ladder)trans-90.6-32.7179.6-77.8169.866.8-154.3-15.4113E1167 L1168 L1216 D1218 D1220E1167-R1261 HydrophobicContact CG-CB 3.85Å; E1167-R1261 HydrophobicContact CG-CG 4.35Å; E1167-R1261 WeakPolarHBondContact CG-O 3.47Å; E1167-R1261 IonicContact OE1-CZ 3.83Å; E1167-R1261 VanDerWaalsContact OE1-CZ 3.24Å; E1167-R1261 IonicContact OE1-NE 2.73Å; E1167-R1261 PolarHBondContact OE1-NE 3.18Å; E1167-R1261 IonicContact OE1-NH2 2.94Å; E1167-R1261 PolarHBondContact OE1-NH2 3.2Å; E1167-R1261 IonicContact OE2-CZ 2.75Å; E1167-R1261 IonicContact OE2-NE 2.68Å; E1167-R1261 PolarHBondContact OE2-NE 2.86Å; E1167-R1261 VanDerWaalsContact OE2-NE 3.08Å; E1167-R1261 IonicContact OE2-NH2 3.72Å; E1167-R1261 PolarHBondContact OE2-NH2 3.18Å; L1168-R1261 VanDerWaalsContact CB-O 3.25Å; L1168-R1261 WeakPolarHBondContact CB-O 3.39Å; L1168-R1261 VanDerWaalsContact CG-O 3.22Å; L1168-R1261 WeakPolarHBondContact CG-O 3.48Å; L1168-R1261 PolarHBondContact N-O 3.12Å; L1216-R1261 PolarHBondContact O-N 3.41Å; D1218-R1261 PolarHBondContact O-NH1 3.45Å; D1220-R1261 IonicContact OD1-CZ 3.57Å; D1220-R1261 IonicContact OD1-NH1 2.83Å; D1220-R1261 PolarHBondContact OD1-NH1 3.15Å; D1220-R1261 IonicContact OD1-NH2 3.76Å
1262D92.3Very high81Confident2 Ų242.4 Ų42.41%0.01123%0.227CC..EExtended strand (participates in β ladder)trans-153.3164.6-179.5-150.2-40.3000112.5W1158 L1159 Q1160 L1216 I1260W1158-D1262 HydrophobicContact CE3-CB 3.76Å; W1158-D1262 HydrophobicContact CZ3-CB 4.28Å; L1159-D1262 WeakPolarHBondContact CB-OD1 3.36Å; L1159-D1262 PolarHBondContact N-OD1 2.97Å; Q1160-D1262 WeakPolarHBondContact CB-OD2 3.38Å; Q1160-D1262 VanDerWaalsContact CD-OD2 3.29Å; Q1160-D1262 WeakPolarHBondContact CG-OD2 3Å; Q1160-D1262 PolarHBondContact N-OD2 3.27Å; Q1160-D1262 PolarHBondContact NE2-OD2 3.05Å; L1216-D1262 HydrophobicContact CB-CB 3.91Å; L1216-D1262 HydrophobicContact CD2-CB 4.11Å; L1216-D1262 PolarHBondContact N-O 2.98Å; I1260-D1262 VanDerWaalsContact CG2-O 3.23Å; I1260-D1262 WeakPolarHBondContact CG2-O 3.36Å
1263I89.3Confident80.4Confident2 Ų237.9 Ų37.91%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-136.2130.3178-179.1163.4000111.2L1159 L1193 I1213 L1214 L1215 L1265 L1275L1159-I1263 HydrophobicContact CB-CG2 4.11Å; L1159-I1263 HydrophobicContact CD2-CG2 4.1Å; L1159-I1263 PolarHBondContact N-O 2.8Å; L1193-I1263 HydrophobicContact CD1-CD1 4.33Å; L1193-I1263 HydrophobicContact CD2-CD1 4.15Å; I1213-I1263 HydrophobicContact CG2-CD1 4.07Å; I1213-I1263 HydrophobicContact CG2-CG1 4.26Å; L1214-I1263 WeakPolarHBondContact O-CA 3.35Å; L1215-I1263 HydrophobicContact CD2-CB 3.96Å; L1215-I1263 HydrophobicContact CD2-CD1 3.65Å; L1215-I1263 HydrophobicContact CD2-CG1 3.71Å; I1263-L1265 HydrophobicContact CD1-CD2 3.84Å; I1263-L1265 HydrophobicContact CG1-CD2 3.84Å; I1263-L1265 HydrophobicContact CG1-CG 4.27Å; I1263-L1275 HydrophobicContact CD1-CD1 4.13Å; I1263-L1275 HydrophobicContact CG2-CD1 4.48Å; I1263-L1275 HydrophobicContact CG2-CD2 3.82Å
1264N86.2Confident80.3Confident3 Ų338.6 Ų38.62%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-105.5127.3173.6-153.8-74.1000108.4R1156 F1157 W1158 L1214R1156-N1264 VanDerWaalsContact C-ND2 3.31Å; R1156-N1264 WeakPolarHBondContact CA-OD1 3.45Å; R1156-N1264 PolarHBondContact O-ND2 2.9Å; F1157-N1264 PolarHBondContact O-ND2 3.42Å; F1157-N1264 PolarHBondContact O-OD1 2.85Å; W1158-N1264 HydrophobicContact CD2-CB 3.96Å; W1158-N1264 HydrophobicContact CE3-CB 3.7Å; W1158-N1264 HydrophobicContact CH2-CB 4.13Å; W1158-N1264 HydrophobicContact CZ2-CB 4.36Å; W1158-N1264 HydrophobicContact CZ3-CB 3.79Å; W1158-N1264 PolarHBondContact N-ND2 2.8Å; L1214-N1264 HydrophobicContact CB-CB 3.92Å; L1214-N1264 HydrophobicContact CD1-CB 4.21Å; L1214-N1264 HydrophobicContact CG-CB 4.34Å; L1214-N1264 PolarHBondContact N-O 3.29Å; L1214-N1264 PolarHBondContact O-N 3.02Å
1265L78.3Confident80.2Confident4 Ų434.6 Ų34.62%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-113.4100.7176.7-61.2-174.8000109.3M1146 L1193 I1213 I1263 L1268M1146-L1265 HydrophobicContact CE-CD1 3.7Å; M1146-L1265 HydrophobicContact CE-CG 4.38Å; M1146-L1265 HydrophobicContact SD-CD1 3.77Å; L1193-L1265 HydrophobicContact CD1-CD1 4.3Å; L1193-L1265 HydrophobicContact CD1-CD2 3.65Å; L1193-L1265 HydrophobicContact CD2-CD1 4.07Å; I1213-L1265 HydrophobicContact CG1-CD2 4.01Å; I1213-L1265 HydrophobicContact CG2-CD2 4.48Å; I1263-L1265 HydrophobicContact CD1-CD2 3.84Å; I1263-L1265 HydrophobicContact CG1-CD2 3.84Å; I1263-L1265 HydrophobicContact CG1-CG 4.27Å; L1265-L1268 HydrophobicContact CB-CD1 4.12Å; L1265-L1268 HydrophobicContact CB-CD2 3.77Å; L1265-L1268 HydrophobicContact CB-CG 3.83Å; L1265-L1268 HydrophobicContact CD1-CD2 3.92Å; L1265-L1268 WeakPolarHBondContact O-CG 3.5Å
1266I67.2Low80.1Confident30 Ų3036.3 Ų36.315%0.15419%0.189CC..THydrogen-bonded Turntrans-76.1145.8-179.5-45.3168000108.8R1156 N1212 L1214 L1268R1156-I1266 HydrophobicContact CG-CG1 4.31Å; R1156-I1266 HydrophobicContact CG-CG2 4.42Å; N1212-I1266 HydrophobicContact CB-CB 3.99Å; N1212-I1266 WeakPolarHBondContact CB-O 3.18Å; N1212-I1266 PolarHBondContact O-N 3.29Å; L1214-I1266 HydrophobicContact CD1-CD1 4.04Å; L1214-I1266 HydrophobicContact CD2-CD1 4.47Å; L1214-I1266 HydrophobicContact CG-CD1 4.07Å; I1266-L1268 PolarHBondContact O-N 3.34Å
1267H59.2Low80Confident122 Ų12234.4 Ų34.457%0.56518%0.175SC*.THydrogen-bonded Turntrans54.344.2180-59.2108.7000114.7N1212 N1269N1212-H1267 PolarHBondContact OD1-ND1 3.03Å; N1212-H1267 VanDerWaalsContact OD1-ND1 3.07Å; H1267-N1269 PolarHBondContact O-N 3.44Å
1268L55.4Low80.1Confident25 Ų2533.4 Ų33.413%0.13118%0.177CC..  trans-56.1110164.8-75.5171.5000110.6I1149 P1151 M1162 L1265 I1266 Y1273I1149-L1268 HydrophobicContact CG2-CD1 4.29Å; P1151-L1268 HydrophobicContact CB-CB 4.18Å; P1151-L1268 VanDerWaalsContact CB-O 3.31Å; P1151-L1268 WeakPolarHBondContact CB-O 3.44Å; P1151-L1268 WeakPolarHBondContact CG-O 3.44Å; M1162-L1268 HydrophobicContact CE-CD1 4.48Å; M1162-L1268 HydrophobicContact SD-CD1 4.09Å; L1265-L1268 HydrophobicContact CB-CD1 4.12Å; L1265-L1268 HydrophobicContact CB-CD2 3.77Å; L1265-L1268 HydrophobicContact CB-CG 3.83Å; L1265-L1268 HydrophobicContact CD1-CD2 3.92Å; L1265-L1268 WeakPolarHBondContact O-CG 3.5Å; I1266-L1268 PolarHBondContact O-N 3.34Å; L1268-Y1273 HydrophobicContact CD2-CD2 3.58Å; L1268-Y1273 HydrophobicContact CD2-CE2 3.35Å; L1268-Y1273 HydrophobicContact CD2-CG 4.42Å
1269N55.9Low80.1Confident92 Ų9235.5 Ų35.549%0.49219%0.188SC..  trans-72.5167.9160.4-77.2-24.3000109.6I1201 H1267 I1271I1201-N1269 HydrophobicContact CD1-CB 4.48Å; H1267-N1269 PolarHBondContact O-N 3.44Å; N1269-I1271 HydrophobicContact CB-CD1 3.78Å; N1269-I1271 HydrophobicContact CB-CG1 4.13Å; N1269-I1271 PolarHBondContact O-N 3.17Å
1270T52.5Low80.1Confident132 Ų13235.3 Ų35.381%0.8119%0.187SC*.SBendtrans-73.168.7178.452.70000111.9
1271I61.6Low80.2Confident20 Ų2035.5 Ų35.510%0.10319%0.188CC..  trans-129.1143.1-175.6-61.6165.9000107.3S1196 L1198 I1201 N1269 Y1273S1196-I1271 VanDerWaalsContact O-CG2 3.29Å; S1196-I1271 WeakPolarHBondContact O-CG2 3.19Å; L1198-I1271 HydrophobicContact CD2-CD1 3.62Å; L1198-I1271 HydrophobicContact CD2-CG1 4.47Å; L1198-I1271 HydrophobicContact CG-CD1 3.91Å; L1198-I1271 HydrophobicContact CG-CG2 4.4Å; I1201-I1271 HydrophobicContact CD1-CD1 4.33Å; N1269-I1271 HydrophobicContact CB-CD1 3.78Å; N1269-I1271 HydrophobicContact CB-CG1 4.13Å; N1269-I1271 PolarHBondContact O-N 3.17Å; I1271-Y1273 HydrophobicContact CB-CD2 4.41Å; I1271-Y1273 HydrophobicContact CB-CE2 3.72Å; I1271-Y1273 HydrophobicContact CG2-CE1 4.46Å; I1271-Y1273 HydrophobicContact CG2-CE2 4.07Å; I1271-Y1273 WeakPolarHBondContact O-CD2 3.03Å; I1271-Y1273 WeakPolarHBondContact O-CE2 3.32Å; I1271-Y1273 PolarHBondContact O-N 3.43Å
1272N71.6Confident80.4Confident72 Ų7232.6 Ų32.639%0.38518%0.177SC..EExtended strand (participates in β ladder)trans-84.6113.3177.4-72.2-46.6000110.2N1147 S1196N1147-N1272 WeakPolarHBondContact CA-OD1 3.48Å; N1147-N1272 WeakPolarHBondContact CB-OD1 3.4Å; S1196-N1272 PolarHBondContact N-O 2.79Å; S1196-N1272 PolarHBondContact O-N 3.23Å; S1196-N1272 PolarHBondContact OG-O 3.21Å
1273Y77.8Confident80.4Confident15 Ų1532.6 Ų32.66%0.05918%0.178CC..EExtended strand (participates in β ladder)trans-100133.7176.2-61.6-90.6000110.9M1146 S1194 C1195 L1209 L1268 I1271M1146-Y1273 WeakPolarHBondContact CB-O 3.39Å; M1146-Y1273 PolarHBondContact N-O 2.82Å; S1194-Y1273 VanDerWaalsContact O-CA 3.27Å; S1194-Y1273 WeakPolarHBondContact O-CA 3.27Å; C1195-Y1273 HydrophobicContact CB-CD1 3.9Å; C1195-Y1273 HydrophobicContact CB-CE1 3.78Å; L1209-Y1273 HydrophobicContact CD1-CE1 4.27Å; L1209-Y1273 HydrophobicContact CD2-CD1 4.39Å; L1209-Y1273 HydrophobicContact CD2-CE1 3.81Å; L1268-Y1273 HydrophobicContact CD2-CD2 3.58Å; L1268-Y1273 HydrophobicContact CD2-CE2 3.35Å; L1268-Y1273 HydrophobicContact CD2-CG 4.42Å; I1271-Y1273 HydrophobicContact CB-CD2 4.41Å; I1271-Y1273 HydrophobicContact CB-CE2 3.72Å; I1271-Y1273 HydrophobicContact CG2-CE1 4.46Å; I1271-Y1273 HydrophobicContact CG2-CE2 4.07Å; I1271-Y1273 WeakPolarHBondContact O-CD2 3.03Å; I1271-Y1273 WeakPolarHBondContact O-CE2 3.32Å; I1271-Y1273 PolarHBondContact O-N 3.43Å
1274E86.1Confident80.1Confident41 Ų4135.2 Ų35.219%0.19219%0.194CC..EExtended strand (participates in β ladder)trans-109.2118.2165.4-174-168.2-136.600108.5K1143 I1144 S1194 I1276K1143-E1274 WeakPolarHBondContact CD-OE1 3.09Å; K1143-E1274 IonicContact NZ-OE1 2.75Å; K1143-E1274 PolarHBondContact NZ-OE1 3.24Å; K1143-E1274 IonicContact NZ-OE2 2.67Å; K1143-E1274 PolarHBondContact NZ-OE2 3.32Å; I1144-E1274 CarbonylContact O-C 3.56Å; I1144-E1274 WeakPolarHBondContact O-CA 3.35Å; S1194-E1274 PolarHBondContact N-O 3.01Å; S1194-E1274 PolarHBondContact O-N 3.31Å; E1274-I1276 HydrophobicContact CG-CG1 4.3Å
1275L88.4Confident79Confident0 Ų041.4 Ų41.40%022%0.218CC..EExtended strand (participates in β ladder)trans-80122.8170.7174.167.2000108.9K1143 I1144 L1159 L1168 I1191 L1193 I1263 L1277K1143-L1275 CarbonylContact C-O 3.59Å; K1143-L1275 WeakPolarHBondContact CA-O 3.09Å; I1144-L1275 HydrophobicContact CB-CB 4.29Å; I1144-L1275 HydrophobicContact CD1-CD2 4.2Å; I1144-L1275 PolarHBondContact N-O 3.36Å; I1144-L1275 PolarHBondContact O-N 2.88Å; L1159-L1275 HydrophobicContact CD2-CD2 3.68Å; L1168-L1275 HydrophobicContact CD1-CD2 4.47Å; I1191-L1275 HydrophobicContact CG2-CD1 3.5Å; L1193-L1275 HydrophobicContact CD2-CB 4.31Å; L1193-L1275 HydrophobicContact CD2-CD1 3.83Å; I1263-L1275 HydrophobicContact CD1-CD1 4.13Å; I1263-L1275 HydrophobicContact CG2-CD1 4.48Å; I1263-L1275 HydrophobicContact CG2-CD2 3.82Å; L1275-L1277 HydrophobicContact CD1-CD2 4.05Å; L1275-L1277 HydrophobicContact CD2-CD2 4.13Å; L1275-L1277 HydrophobicContact CD2-CG 4.39Å; L1275-L1277 HydrophobicContact CG-CD2 4.04Å; L1275-L1277 HydrophobicContact CG-CG 4.24Å
1276I92.5Very high77.8Confident42 Ų4247.5 Ų47.522%0.21525%0.25CC..EExtended strand (participates in β ladder)trans-113.8112.9177.6-52.2179000107.8A1142 K1143 S1192 Y1246 E1274A1142-I1276 WeakPolarHBondContact O-CA 2.98Å; K1143-I1276 HydrophobicContact CG-CG1 4.33Å; S1192-I1276 PolarHBondContact N-O 3.14Å; S1192-I1276 WeakPolarHBondContact O-CB 3.3Å; S1192-I1276 PolarHBondContact O-N 3.39Å; Y1246-I1276 HydrophobicContact CD1-CD1 4.45Å; Y1246-I1276 HydrophobicContact CE1-CD1 3.84Å; E1274-I1276 HydrophobicContact CG-CG1 4.3Å
1277L93.4Very high76.5Confident9 Ų947.9 Ų47.95%0.04726%0.261CS..EExtended strand (participates in β ladder)trans-93.7122.3179.8-63.4177.6000109.8P1139 A1142 I1144 L1168 I1191 L1275P1139-L1277 HydrophobicContact CB-CB 4.06Å; P1139-L1277 HydrophobicContact CB-CD1 4.28Å; P1139-L1277 HydrophobicContact CG-CB 3.82Å; A1142-L1277 PolarHBondContact O-N 3.49Å; I1144-L1277 HydrophobicContact CD1-CD1 4.23Å; L1168-L1277 HydrophobicContact CB-CD1 4.35Å; L1168-L1277 HydrophobicContact CD1-CD1 3.88Å; L1168-L1277 HydrophobicContact CD1-CD2 4.02Å; L1168-L1277 HydrophobicContact CD2-CD1 3.78Å; L1168-L1277 HydrophobicContact CG-CD1 4.21Å; I1191-L1277 HydrophobicContact CD1-CD2 3.93Å; I1191-L1277 HydrophobicContact CG1-CD2 3.96Å; I1191-L1277 HydrophobicContact CG2-CD2 4.1Å; L1275-L1277 HydrophobicContact CD1-CD2 4.05Å; L1275-L1277 HydrophobicContact CD2-CD2 4.13Å; L1275-L1277 HydrophobicContact CD2-CG 4.39Å; L1275-L1277 HydrophobicContact CG-CD2 4.04Å; L1275-L1277 HydrophobicContact CG-CG 4.24Å
1278G94.3Very high75.3Confident23 Ų2351.1 Ų51.124%0.23727%0.273CS..EExtended strand (participates in β ladder)trans-87.8159.2167.500000112.1Q1189 R1190Q1189-G1278 PolarHBondContact NE2-O 2.9Å; R1190-G1278 VanDerWaalsContact O-CA 3.25Å; R1190-G1278 WeakPolarHBondContact O-CA 3.45Å; R1190-G1278 PolarHBondContact O-N 3.06Å
1279D95.9Very high74.6Confident45 Ų4553.6 Ų53.624%0.24128%0.283CS..EExtended strand (participates in β ladder)trans-50142.1175.2-56.711.6000112.1C1136 I1137C1136-D1279 HydrophobicContact CB-CB 4.07Å; I1137-D1279 VanDerWaalsContact O-CA 3.28Å; I1137-D1279 WeakPolarHBondContact O-CA 3.2Å
1280V96.9Very high73.7Confident1 Ų154.5 Ų54.51%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-90.8119.1168.260.20000108.9C1136 I1137 Y1170 Q1189 L1258 P1259 Y1282C1136-V1280 CarbonylContact C-O 3.56Å; C1136-V1280 WeakPolarHBondContact CA-O 3.31Å; I1137-V1280 HydrophobicContact CB-CG1 3.96Å; I1137-V1280 PolarHBondContact N-O 3.4Å; I1137-V1280 PolarHBondContact O-N 2.99Å; Y1170-V1280 HydrophobicContact CD1-CG1 4.06Å; Y1170-V1280 HydrophobicContact CE1-CG1 4.34Å; Q1189-V1280 HydrophobicContact CB-CB 4.4Å; Q1189-V1280 HydrophobicContact CB-CG2 4.38Å; Q1189-V1280 HydrophobicContact CG-CB 4.25Å; L1258-V1280 HydrophobicContact CB-CG2 3.9Å; P1259-V1280 HydrophobicContact CB-CB 4.25Å; P1259-V1280 HydrophobicContact CB-CG1 4.11Å; P1259-V1280 HydrophobicContact CB-CG2 4.28Å; V1280-Y1282 HydrophobicContact CB-CE2 4.33Å; V1280-Y1282 HydrophobicContact CG1-CE2 3.94Å; V1280-Y1282 HydrophobicContact CG2-CD2 4.4Å; V1280-Y1282 HydrophobicContact CG2-CE2 3.59Å
1281C97.1Very high72.8Confident4 Ų451.4 Ų51.43%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-112.1124.6-173.1-63.90000111.5E1134 T1135 C1136 A1187 V1188E1134-C1281 HydrophobicContact CB-CB 4.28Å; E1134-C1281 HydrophobicContact CG-CB 4.4Å; T1135-C1281 WeakPolarHBondContact O-CA 3.33Å; C1136-C1281 HydrophobicContact CB-CB 4.16Å; C1136-C1281 WeakPolarHBondContact CB-SG 3.29Å; C1136-C1281 WeakPolarHBondContact SG-CB 3.35Å; C1136-C1281 CovalentContact SG-SG 2.05Å; C1136-C1281 PolarHBondContact SG-SG 2.73Å; A1187-C1281 CarbonylContact C-O 3.57Å; A1187-C1281 VanDerWaalsContact CA-O 3.3Å; A1187-C1281 WeakPolarHBondContact CA-O 3.22Å; V1188-C1281 PolarHBondContact N-O 3.36Å; V1188-C1281 PolarHBondContact O-N 3.44Å
1282Y96.3Very high71.5Confident0 Ų054.5 Ų54.50%029%0.292CS..EExtended strand (participates in β ladder)trans-109.6136-179.3-66-89000111.3E1134 T1135 I1137 L1177 L1180 K1181 A1187 P1255 L1258 P1259 V1280E1134-Y1282 CarbonylContact C-O 3.45Å; E1134-Y1282 WeakPolarHBondContact CA-O 3.4Å; T1135-Y1282 PolarHBondContact N-O 3.42Å; T1135-Y1282 PolarHBondContact O-N 3.37Å; I1137-Y1282 HydrophobicContact CD1-CD2 4.18Å; I1137-Y1282 HydrophobicContact CD1-CE2 3.96Å; L1177-Y1282 HydrophobicContact CD1-CE2 4.01Å; L1177-Y1282 WeakPolarHBondContact CD1-OH 3.35Å; L1180-Y1282 HydrophobicContact CD2-CD2 3.45Å; L1180-Y1282 VanDerWaalsContact CD2-CD2 3.45Å; L1180-Y1282 HydrophobicContact CD2-CE2 4.05Å; L1180-Y1282 HydrophobicContact CD2-CG 3.88Å; L1180-Y1282 HydrophobicContact CG-CD2 4.03Å; L1180-Y1282 HydrophobicContact CG-CG 3.94Å; K1181-Y1282 HydrophobicContact CG-CE1 3.76Å; A1187-Y1282 HydrophobicContact CB-CD1 3.59Å; A1187-Y1282 HydrophobicContact CB-CE1 3.57Å; A1187-Y1282 HydrophobicContact CB-CG 4.36Å; P1255-Y1282 HydrophobicContact CB-CD1 4.14Å; P1255-Y1282 HydrophobicContact CB-CE1 4.05Å; L1258-Y1282 VanDerWaalsContact C-OH 3.24Å; L1258-Y1282 PolarHBondContact O-OH 3.25Å; P1259-Y1282 WeakPolarHBondContact CD-OH 3.47Å; V1280-Y1282 HydrophobicContact CB-CE2 4.33Å; V1280-Y1282 HydrophobicContact CG1-CE2 3.94Å; V1280-Y1282 HydrophobicContact CG2-CD2 4.4Å; V1280-Y1282 HydrophobicContact CG2-CE2 3.59Å
1283T92.3Very high69.5Low3 Ų359 Ų592%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-147153.7178.9-174.10000113.4T1132 E1134 D1185 M1186 Y1285 F1289T1132-T1283 PolarHBondContact O-OG1 3.47Å; T1132-T1283 VanDerWaalsContact O-OG1 3.09Å; E1134-T1283 HydrophobicContact CG-CG2 4.2Å; D1185-T1283 PolarHBondContact N-O 3.22Å; M1186-T1283 PolarHBondContact N-O 3.33Å; M1186-T1283 VanDerWaalsContact N-O 3.11Å; M1186-T1283 PolarHBondContact O-N 2.98Å; T1283-Y1285 PolarHBondContact OG1-N 3.44Å; T1283-F1289 HydrophobicContact CG2-CE2 3.76Å; T1283-F1289 HydrophobicContact CG2-CZ 3.99Å
1284T82.4Confident67.2Low57 Ų5766.6 Ų66.635%0.3534%0.344SS..SBendtrans-94.71.5169.351.30000112.9S1183 D1185S1183-T1284 WeakPolarHBondContact O-CG2 3.36Å; D1185-T1284 VanDerWaalsContact OD2-CA 3.26Å; D1185-T1284 WeakPolarHBondContact OD2-CA 3.44Å
1285Y64.4Low64.4Low132 Ų13268.9 Ų68.952%0.51836%0.361SS..  trans-101.596.9-174-158.2-113.3000112.6T1283 G1287T1283-Y1285 PolarHBondContact OG1-N 3.44Å; Y1285-G1287 WeakPolarHBondContact CE1-O 3.45Å; Y1285-G1287 PolarHBondContact O-N 3.31Å; Y1285-G1287 VanDerWaalsContact O-N 3.13Å
1286L52.5Low61.6Low132 Ų13278.1 Ų78.169%0.69140%0.401SS*.  trans-65.5-6.6171.8-69.2170.7000113.9D1185 K1288D1185-L1286 HydrophobicContact CB-CD2 4.42Å; D1185-L1286 HydrophobicContact CB-CG 4.45Å; L1286-K1288 PolarHBondContact O-N 3.29Å
1287G39.7Very low58.3Low38 Ų3883.7 Ų83.739%0.39243%0.431SS..SBendtrans-74.783.5-175.800000113.6Y1285Y1285-G1287 WeakPolarHBondContact CE1-O 3.45Å; Y1285-G1287 PolarHBondContact O-N 3.31Å; Y1285-G1287 VanDerWaalsContact O-N 3.13Å
1288K33.6Very low55.3Low191 Ų19194.4 Ų94.483%0.8349%0.489SS*.  trans40.997.5168.8-69.9-175.8179.9177.50114.7L1286 V1290L1286-K1288 PolarHBondContact O-N 3.29Å; K1288-V1290 PolarHBondContact O-N 2.86Å
1289F41.8Very low53.3Low76 Ų7698 Ų9833%0.33350%0.501SS..  trans-49.2109.7162.6-98.2-107.6000110.6E1134 M1186 V1188 T1283 S1291E1134-F1289 HydrophobicContact CG-CZ 4.21Å; M1186-F1289 HydrophobicContact CE-CD2 3.38Å; M1186-F1289 HydrophobicContact CE-CE2 3.26Å; M1186-F1289 HydrophobicContact CE-CG 4.45Å; M1186-F1289 HydrophobicContact CE-CZ 4.27Å; V1188-F1289 HydrophobicContact CB-CE1 4.11Å; V1188-F1289 HydrophobicContact CB-CZ 4.28Å; V1188-F1289 HydrophobicContact CG1-CE1 4.33Å; V1188-F1289 HydrophobicContact CG2-CD1 4.28Å; V1188-F1289 HydrophobicContact CG2-CE1 3.6Å; V1188-F1289 HydrophobicContact CG2-CE2 4.11Å; V1188-F1289 HydrophobicContact CG2-CZ 3.51Å; T1283-F1289 HydrophobicContact CG2-CE2 3.76Å; T1283-F1289 HydrophobicContact CG2-CZ 3.99Å; F1289-S1291 PolarHBondContact O-N 3.23Å
1290V36.7Very low51.1Low112 Ų112100.8 Ų100.868%0.67952%0.515SS*.  trans-67.9105.2165177.10000105.3K1288 L1292K1288-V1290 PolarHBondContact O-N 2.86Å; V1290-L1292 PolarHBondContact O-N 3.43Å
1291S33Very low48.5Very low66 Ų66106.3 Ų106.346%0.46254%0.543SS..  trans-43.2136.2174.6171.10000110.1F1289 K1293F1289-S1291 PolarHBondContact O-N 3.23Å; S1291-K1293 PolarHBondContact O-N 3.36Å
1292L35.8Very low45.7Very low86 Ų86112.4 Ų112.445%0.4557%0.574SS.*SBendtrans-69.542.2-174-83.7158.8000114V1290 H1294V1290-L1292 PolarHBondContact O-N 3.43Å; L1292-H1294 PolarHBondContact O-N 2.95Å
1293K29.7Very low42.5Very low165 Ų165119.4 Ų119.472%0.71761%0.61SS**  trans-75.10.8169.2-69.9-174173.4-173.50113.8S1291S1291-K1293 PolarHBondContact O-N 3.36Å
1294H27.7Very low39.2Very low176 Ų176127.1 Ų127.182%0.81565%0.649SS**SBendtrans-103.242.7170.2-80.3-61.6000112.5L1292L1292-H1294 PolarHBondContact O-N 2.95Å
1295T29.1Very low36.1Very low89 Ų89132.1 Ų132.155%0.54667%0.67SS.*SBendtrans-145.2139.6150.7-33.70000106.9
1296F27.6Very low33.9Very low194 Ų194132.2 Ų132.285%0.85168%0.682SS**SBendtrans62.571.9-169.4-57-79.2000115.3
1297N24.6Very low32.4Very low158 Ų158132.2 Ų132.285%0.84568%0.681SS**  trans-146.462.4149.8-145.118.6000109.9
1298N29Very low31.7Very low235 Ų235140.7 Ų140.7100%1.25771%0.708SS**  trans-156.20169.3-108.7-0.9000106.8

Retrieved 1,298 of 1,298 residues in 717.1 ms (Link to these results)