A0A096M389_POEFO Loading...

HMG box domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M389, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.9Very low52.9Low225 Ų225140.1 Ų140.1100%1.10872%0.718SS**  071.60175175172.200105.7
2E53Low52.6Low169 Ų169136 Ų13679%0.7970%0.704SS**  trans-14724-150.3-76.3150.3117.600112.4
3D53.6Low52.6Low157 Ų157131.7 Ų131.784%0.8469%0.687SS**SBendtrans-125.317.5-169.5-88-67.7000114.2
4M50.7Low52.5Low163 Ų163131.4 Ų131.480%0.80368%0.678SS**SBendtrans-111.7-33.3177.1-68.6-164.869.500114N6 V7M4-N6 VanDerWaalsContact C-N 3.26Å; M4-N6 PolarHBondContact O-N 3.46Å; M4-V7 PolarHBondContact O-N 3.38Å
5D54.5Low52.3Low118 Ų118128.7 Ų128.763%0.63167%0.669SS**Hα-helixtrans-65.7-23.8-173.3-52.8-108.7000114.1V7 V9D5-V7 PolarHBondContact O-N 2.99Å; D5-V9 WeakPolarHBondContact O-CG2 3.2Å
6N51Low52Low120 Ų120126.3 Ų126.364%0.64266%0.662SS**Hα-helixtrans-75-23.8-175.3-162.914.2000113.4M4M4-N6 VanDerWaalsContact C-N 3.26Å; M4-N6 PolarHBondContact O-N 3.46Å
7V53.7Low52Low99 Ų99127.3 Ų127.360%0.666%0.662SS**Hα-helixtrans-76-44.1-179.8-179.70000110.9M4 D5 V9 L10 E11M4-V7 PolarHBondContact O-N 3.38Å; D5-V7 PolarHBondContact O-N 2.99Å; V7-V9 PolarHBondContact O-N 2.75Å; V7-L10 PolarHBondContact O-N 3.01Å; V7-E11 PolarHBondContact O-N 2.74Å; V7-E11 VanDerWaalsContact O-N 3.11Å
8E55.6Low51.6Low145 Ų145126.7 Ų126.768%0.67866%0.656SS**Hα-helixtrans-66.3-37.6-176-165.3167-147.600111.9L10 E11 V12E8-L10 PolarHBondContact O-N 2.99Å; E8-E11 PolarHBondContact O-N 3.06Å; E8-V12 WeakPolarHBondContact O-CG2 3.48Å; E8-V12 PolarHBondContact O-N 3.49Å
9V53.2Low51.4Low92 Ų92125.5 Ų125.556%0.55865%0.654SS**Hα-helixtrans-62.4-40.4174.2175.70000112D5 V7 V13D5-V9 WeakPolarHBondContact O-CG2 3.2Å; V7-V9 PolarHBondContact O-N 2.75Å; V9-V13 VanDerWaalsContact O-CG2 3.31Å; V9-V13 WeakPolarHBondContact O-CG2 3.19Å; V9-V13 PolarHBondContact O-N 3.21Å; V9-V13 VanDerWaalsContact O-N 3.12Å
10L53.9Low51.2Low117 Ų117126.7 Ų126.761%0.61366%0.657SS**Hα-helixtrans-68.9-37.3178.3-90.7162000112.6V7 E8 K14V7-L10 PolarHBondContact O-N 3.01Å; E8-L10 PolarHBondContact O-N 2.99Å; L10-K14 WeakPolarHBondContact O-CB 3.28Å; L10-K14 PolarHBondContact O-N 3.11Å; L10-K14 VanDerWaalsContact O-N 3.15Å
11E54.1Low50.7Low136 Ų136125.4 Ų125.464%0.63665%0.651SS**Hα-helixtrans-71.2-41.9178.4-165.5155.7-135.900111.7V7 E8 K14 V15V7-E11 PolarHBondContact O-N 2.74Å; V7-E11 VanDerWaalsContact O-N 3.11Å; E8-E11 PolarHBondContact O-N 3.06Å; E11-K14 PolarHBondContact O-N 2.93Å; E11-V15 WeakPolarHBondContact O-CG2 3.39Å; E11-V15 PolarHBondContact O-N 3.43Å
12V49.4Very low50.2Low91 Ų91119.2 Ų119.255%0.55263%0.625SS**Hα-helixtrans-61.3-45.9174.4170.40000112.1E8 K14 V15 T16E8-V12 WeakPolarHBondContact O-CG2 3.48Å; E8-V12 PolarHBondContact O-N 3.49Å; V12-K14 VanDerWaalsContact C-N 3.34Å; V12-K14 PolarHBondContact O-N 2.82Å; V12-V15 PolarHBondContact O-N 3.21Å; V12-T16 PolarHBondContact O-N 3.11Å
13V52Low49.6Very low80 Ų80118.3 Ų118.349%0.48562%0.616SS.*Hα-helixtrans-60.4-45.3177.7167.90000110.8V9 V15 T16 E17V9-V13 VanDerWaalsContact O-CG2 3.31Å; V9-V13 WeakPolarHBondContact O-CG2 3.19Å; V9-V13 PolarHBondContact O-N 3.21Å; V9-V13 VanDerWaalsContact O-N 3.12Å; V13-V15 PolarHBondContact O-N 3.45Å; V13-T16 PolarHBondContact O-N 3.46Å; V13-T16 VanDerWaalsContact O-N 3.09Å; V13-T16 PolarHBondContact O-OG1 3.45Å; V13-E17 PolarHBondContact O-N 3.44Å; V13-E17 VanDerWaalsContact O-N 3.14Å
14K52.1Low49.2Very low128 Ų128114.3 Ų114.356%0.55760%0.6SS**Hα-helixtrans-62.8-41.4-179.5-168.9179.3176.8-164.20112.7L10 E11 V12 T16 E17 E18L10-K14 WeakPolarHBondContact O-CB 3.28Å; L10-K14 PolarHBondContact O-N 3.11Å; L10-K14 VanDerWaalsContact O-N 3.15Å; E11-K14 PolarHBondContact O-N 2.93Å; V12-K14 VanDerWaalsContact C-N 3.34Å; V12-K14 PolarHBondContact O-N 2.82Å; K14-T16 VanDerWaalsContact C-N 3.26Å; K14-T16 PolarHBondContact O-N 2.84Å; K14-E17 PolarHBondContact O-N 2.97Å; K14-E18 WeakPolarHBondContact CE-OE1 3.35Å; K14-E18 IonicContact NZ-OE1 3.55Å; K14-E18 PolarHBondContact O-N 3.36Å; K14-E18 VanDerWaalsContact O-N 3.17Å
15V49.4Very low48.6Very low90 Ų90113.2 Ų113.255%0.54559%0.593SS.*Hα-helixtrans-61.5-32.9174.51700000111.9E11 V12 V13 V19E11-V15 WeakPolarHBondContact O-CG2 3.39Å; E11-V15 PolarHBondContact O-N 3.43Å; V12-V15 PolarHBondContact O-N 3.21Å; V13-V15 PolarHBondContact O-N 3.45Å; V15-V19 WeakPolarHBondContact O-CG2 3.21Å
16T46.7Very low47.8Very low90 Ų90113 Ų11355%0.55260%0.595SS**Hα-helixtrans-73.1-37.5175.759.10000113.8V12 V13 K14 V19 E20V12-T16 PolarHBondContact O-N 3.11Å; V13-T16 PolarHBondContact O-N 3.46Å; V13-T16 VanDerWaalsContact O-N 3.09Å; V13-T16 PolarHBondContact O-OG1 3.45Å; K14-T16 VanDerWaalsContact C-N 3.26Å; K14-T16 PolarHBondContact O-N 2.84Å; T16-V19 PolarHBondContact O-N 3.02Å; T16-E20 PolarHBondContact O-N 3.35Å
17E52.5Low47.3Very low144 Ų144115.5 Ų115.567%0.67360%0.603SS**Hα-helixtrans-70.2-38.6-179.1-163.8169-156.400111.8V13 K14 V19 E20 D21V13-E17 PolarHBondContact O-N 3.44Å; V13-E17 VanDerWaalsContact O-N 3.14Å; K14-E17 PolarHBondContact O-N 2.97Å; E17-V19 VanDerWaalsContact C-N 3.26Å; E17-V19 PolarHBondContact O-N 3.45Å; E17-E20 PolarHBondContact O-N 3.15Å; E17-D21 PolarHBondContact O-N 3.12Å
18E45.5Very low46.5Very low117 Ų117118.6 Ų118.655%0.54761%0.613SS.*Hα-helixtrans-66.3-24.3175.9-68.9-177.6-163.800113.2K14 V22K14-E18 WeakPolarHBondContact CE-OE1 3.35Å; K14-E18 IonicContact NZ-OE1 3.55Å; K14-E18 PolarHBondContact O-N 3.36Å; K14-E18 VanDerWaalsContact O-N 3.17Å; E18-V22 WeakPolarHBondContact O-CG2 3.15Å
19V47Very low45.5Very low103 Ų103118.3 Ų118.362%0.62462%0.622SS**Hα-helixtrans-78.6-32.2175.1169.50000112.6V15 T16 E17V15-V19 WeakPolarHBondContact O-CG2 3.21Å; T16-V19 PolarHBondContact O-N 3.02Å; E17-V19 VanDerWaalsContact C-N 3.26Å; E17-V19 PolarHBondContact O-N 3.45Å
20E48Very low44.7Very low150 Ų150118.7 Ų118.770%0.70163%0.629SS**Hα-helixtrans-81.9-30.9-177-164.2162.4-167.600113.2T16 E17 Y23 S24T16-E20 PolarHBondContact O-N 3.35Å; E17-E20 PolarHBondContact O-N 3.15Å; E20-Y23 PolarHBondContact O-N 3.09Å; E20-S24 PolarHBondContact O-N 3.44Å; E20-S24 PolarHBondContact O-OG 3.04Å
21D39.5Very low43.6Very low99 Ų99119.3 Ų119.353%0.52964%0.64SS.*Hα-helixtrans-69.1-39.5173.8-170.359.6000112.4E17 Y23 S24 Q25E17-D21 PolarHBondContact O-N 3.12Å; D21-Y23 VanDerWaalsContact C-N 3.26Å; D21-Y23 PolarHBondContact O-N 3.19Å; D21-S24 WeakPolarHBondContact O-CB 3.31Å; D21-S24 PolarHBondContact O-N 3.38Å; D21-Q25 PolarHBondContact O-N 2.7Å; D21-Q25 VanDerWaalsContact O-N 3.13Å
22V38.3Very low42.7Very low96 Ų96122.7 Ų122.758%0.58265%0.652SS**Hα-helixtrans-59.5-37176.5170.40000111.7E18 S24 Q25E18-V22 WeakPolarHBondContact O-CG2 3.15Å; V22-S24 VanDerWaalsContact C-N 3.34Å; V22-Q25 PolarHBondContact O-N 3.14Å
23Y40.9Very low42.4Very low150 Ų150128.1 Ų128.159%0.58867%0.668SS**Hα-helixtrans-68.1-33.8175.4-169.5-105.3000112.5E20 D21 V26E20-Y23 PolarHBondContact O-N 3.09Å; D21-Y23 VanDerWaalsContact C-N 3.26Å; D21-Y23 PolarHBondContact O-N 3.19Å; Y23-V26 WeakPolarHBondContact O-CG2 3.4Å
24S45.6Very low41.9Very low73 Ų73132.8 Ų132.851%0.5168%0.682SS.*Hα-helixtrans-72.3-27.4178.7-63.90000113.3E20 D21 V22E20-S24 PolarHBondContact O-N 3.44Å; E20-S24 PolarHBondContact O-OG 3.04Å; D21-S24 WeakPolarHBondContact O-CB 3.31Å; D21-S24 PolarHBondContact O-N 3.38Å; V22-S24 VanDerWaalsContact C-N 3.34Å
25Q38Very low41.4Very low140 Ų140137.4 Ų137.465%0.65470%0.696SS**Hα-helixtrans-77-24.4-172.2-140.2175.1108.500114.1D21 V22D21-Q25 PolarHBondContact O-N 2.7Å; D21-Q25 VanDerWaalsContact O-N 3.13Å; V22-Q25 PolarHBondContact O-N 3.14Å
26V38.2Very low40.7Very low112 Ų112136.4 Ų136.468%0.67970%0.704SS**THydrogen-bonded Turntrans-83.4-14.4-171.1-66.50000115.8Y23 M28Y23-V26 WeakPolarHBondContact O-CG2 3.4Å; V26-M28 PolarHBondContact O-N 3.17Å
27E40.7Very low40.6Very low173 Ų173142.8 Ų142.881%0.80872%0.724SS**THydrogen-bonded Turntrans-83.5-1.4-177.3-76.6-143.7120.900115.5
28M36.8Very low39.7Very low165 Ų165140.3 Ų140.381%0.81373%0.728SS**  trans-102.329.9-164.6-73.3-142.6-80.600118.5V26V26-M28 PolarHBondContact O-N 3.17Å
29T33.7Very low39.2Very low138 Ų138141.5 Ų141.585%0.84774%0.739SS**  trans-131.288.5165.157.40000115.4
30S36.4Very low39.3Very low101 Ų101146 Ų14671%0.70675%0.753SS**  trans-146.5126.4158.567.20000114.1K32S30-K32 PolarHBondContact O-N 3.28Å
31P31.9Very low38.8Very low130 Ų130144.9 Ų144.984%0.84475%0.752SS**  trans-69.8123.7-179-23.234.8000114K33P31-K33 VanDerWaalsContact C-N 3.34Å; P31-K33 PolarHBondContact O-N 3.35Å
32K33.7Very low38.8Very low206 Ų206143.6 Ų143.690%0.89675%0.751SS**  trans-67.679.6179-74.8174.5176.9165.90113.3S30 K34S30-K32 PolarHBondContact O-N 3.28Å; K32-K34 PolarHBondContact O-N 3.46Å
33K43Very low39.3Very low205 Ų205148.1 Ų148.189%0.89177%0.765SS**  trans-65110.5172.5-167.6174.3-174.6176.10110.3P31 R35P31-K33 VanDerWaalsContact C-N 3.34Å; P31-K33 PolarHBondContact O-N 3.35Å; K33-R35 PolarHBondContact O-N 2.93Å
34K42.5Very low39.9Very low179 Ų179149.5 Ų149.578%0.77878%0.777SS**PPolyproline II helixtrans-63.9122-177.2-63.8-170.3175.5-165.50111.6K32K32-K34 PolarHBondContact O-N 3.46Å
35R40.5Very low39.8Very low224 Ų224154.9 Ų154.985%0.84579%0.786SS**PPolyproline II helixtrans-70.7127.8163.5-73.3-176.7170-174.4-5.5109.1K33K33-R35 PolarHBondContact O-N 2.93Å
36G36.1Very low40.9Very low70 Ų70152.4 Ų152.472%0.72278%0.782SS**PPolyproline II helixtrans-87.8160160.100000109.9
37K43.9Very low42.5Very low223 Ų223156 Ų15697%0.9779%0.788SS**PPolyproline II helixtrans-70127165.8-78.7-165.8172.2-164.40109.2
38A34.1Very low44.3Very low92 Ų92155.9 Ų155.976%0.7679%0.785SS**  trans-160.8140.7155.700000110
39D34.1Very low46.5Very low143 Ų143150.3 Ų150.377%0.76576%0.762SS**  trans79.5133.1157.4-130.3-21.4000121N41D39-N41 PolarHBondContact O-N 3.17Å
40E50.3Low49.2Very low198 Ų198149.2 Ų149.293%0.92574%0.742SS**SBendtrans-92.634-179.9-163.192.2139.500110.4
41N37.1Very low51.9Low125 Ų125147.4 Ų147.467%0.66873%0.729SS**  trans-140.279.1176.4-171.74000110D39D39-N41 PolarHBondContact O-N 3.17Å
42S39.1Very low55Low73 Ų73141.5 Ų141.551%0.5169%0.691SS.*  trans-124.826.9-176.4-171.80000113.4
43H48.6Very low57.9Low191 Ų191135.1 Ų135.188%0.88466%0.662SS**SBendtrans-74.4-29.7171.5-80.1-95000112.5
44E53.5Low60.4Low179 Ų179128.9 Ų128.984%0.83664%0.638SS**SBendtrans-108.350.4-178.5-156.7176.9-156.500112.9
45R43.7Very low62.9Low186 Ų186120.9 Ų120.970%0.70260%0.604SS**SBendtrans-127.8119.8155.4-77.8-174.8174.2143.24.8107.5K47R45-K47 PolarHBondContact O-N 3.49Å
46P62Low65.6Low88 Ų88110.7 Ų110.757%0.57157%0.565SS**PPolyproline II helixtrans-47.4118.7172.6-29.736000109.8K48 I106P46-K48 PolarHBondContact O-N 2.89Å; P46-I106 HydrophobicContact CB-CG2 4.22Å
47K71.4Confident68.4Low186 Ų186109.3 Ų109.381%0.80954%0.539SS*.PPolyproline II helixtrans-60.2133.4169.3-67.7173.8-175.4169.80105.1R45 I106R45-K47 PolarHBondContact O-N 3.49Å; K47-I106 WeakPolarHBondContact O-CD1 3.31Å
48K78.7Confident70.8Confident171 Ų171103.4 Ų103.474%0.74351%0.513SS*.PPolyproline II helixtrans-54.5140.7178.2-70-172.8165.7-152.50108.7P46 R50P46-K48 PolarHBondContact O-N 2.89Å; K48-R50 PolarHBondContact O-N 3.01Å
49P81.4Confident73.7Confident49 Ų49101.9 Ų101.932%0.31849%0.492SS..PPolyproline II helixtrans-52134.417119.8-30.7000110E102 K103 I106P49-E102 WeakPolarHBondContact CA-OE1 3.19Å; P49-K103 HydrophobicContact CB-CB 3.89Å; P49-K103 HydrophobicContact CG-CB 3.99Å; P49-K103 HydrophobicContact CG-CG 4.2Å; P49-I106 HydrophobicContact CB-CD1 4Å; P49-I106 HydrophobicContact CG-CD1 4.5Å
50R90.4Very high76.6Confident115 Ų11596.2 Ų96.243%0.43446%0.463SS..PPolyproline II helixtrans-65.1135.9172.4-65.5175.2-179109.6-15108.6K48 L54 L55 E102K48-R50 PolarHBondContact O-N 3.01Å; R50-L54 HydrophobicContact CB-CB 4.05Å; R50-L55 HydrophobicContact CB-CD2 4.03Å; R50-L55 HydrophobicContact CB-CG 3.93Å; R50-L55 HydrophobicContact CG-CD2 4.46Å; R50-E102 WeakPolarHBondContact CB-OE1 3.42Å; R50-E102 WeakPolarHBondContact CG-OE1 3.29Å; R50-E102 IonicContact CZ-OE2 3.83Å; R50-E102 PolarHBondContact N-OE1 2.93Å; R50-E102 IonicContact NH1-OE1 3.84Å; R50-E102 IonicContact NH1-OE2 2.8Å; R50-E102 PolarHBondContact NH1-OE2 3.41Å
51S94.6Very high78.6Confident62 Ų6288.2 Ų88.243%0.43443%0.425SS..PPolyproline II helixtrans-71.6163.3166.562.50000110.6Y53 L54 L55S51-Y53 VanDerWaalsContact C-N 3.27Å; S51-Y53 PolarHBondContact O-N 2.93Å; S51-L54 WeakPolarHBondContact O-CA 3.23Å; S51-L54 WeakPolarHBondContact O-CB 3.25Å; S51-L54 PolarHBondContact O-N 3.32Å; S51-L55 PolarHBondContact O-N 3.5Å
52A95.6Very high81.2Confident7 Ų787.2 Ų87.26%0.05842%0.417CS..Hα-helixtrans-50.2-46.8177.200000112.7L54 L55 Y56 W84 Y95 L96 A99A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 PolarHBondContact O-N 3.39Å; A52-L55 PolarHBondContact O-N 2.86Å; A52-Y56 PolarHBondContact O-N 2.88Å; A52-W84 HydrophobicContact CB-CH2 3.78Å; A52-W84 HydrophobicContact CB-CZ2 4.26Å; A52-Y95 WeakPolarHBondContact CA-O 3.11Å; A52-Y95 VanDerWaalsContact CB-C 3.46Å; A52-Y95 VanDerWaalsContact CB-O 3.31Å; A52-Y95 WeakPolarHBondContact CB-O 3.4Å; A52-L96 HydrophobicContact CB-CB 4.5Å; A52-L96 HydrophobicContact CB-CD2 3.78Å; A52-L96 HydrophobicContact CB-CG 3.96Å; A52-A99 HydrophobicContact CB-CB 4.25Å
53Y96.1Very high83.7Confident71 Ų7188.3 Ų88.328%0.27842%0.42SS..Hα-helixtrans-61.2-36.3175177.7-109.2000113.3S51 Y57 I80 S81 W84S51-Y53 VanDerWaalsContact C-N 3.27Å; S51-Y53 PolarHBondContact O-N 2.93Å; Y53-Y57 WeakPolarHBondContact O-CB 3.18Å; Y53-Y57 PolarHBondContact O-N 3.42Å; Y53-I80 HydrophobicContact CE2-CG2 4.22Å; Y53-S81 PolarHBondContact OH-OG 2.8Å; Y53-W84 HydrophobicContact CD2-CB 3.89Å; Y53-W84 AromaticContact CD2-CD1 3.62Å; Y53-W84 AromaticContact CD2-CD2 3.69Å; Y53-W84 HydrophobicContact CD2-CD2 3.69Å; Y53-W84 HydrophobicContact CD2-CE3 4.34Å; Y53-W84 AromaticContact CD2-CG 3.43Å; Y53-W84 HydrophobicContact CD2-CG 3.43Å; Y53-W84 VanDerWaalsContact CD2-CG 3.43Å; Y53-W84 AromaticContact CD2-NE1 3.96Å; Y53-W84 HydrophobicContact CE2-CB 3.83Å; Y53-W84 AromaticContact CE2-CG 3.89Å; Y53-W84 HydrophobicContact CE2-CG 3.89Å
54L95.2Very high85.6Confident74 Ų7482.4 Ų82.439%0.38739%0.394SS..Hα-helixtrans-70.7-35.5178-90.6162.8000112.3R50 S51 A52 F58R50-L54 HydrophobicContact CB-CB 4.05Å; S51-L54 WeakPolarHBondContact O-CA 3.23Å; S51-L54 WeakPolarHBondContact O-CB 3.25Å; S51-L54 PolarHBondContact O-N 3.32Å; A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 PolarHBondContact O-N 3.39Å; L54-F58 HydrophobicContact CD2-CE2 4.24Å; L54-F58 WeakPolarHBondContact O-CD2 3Å; L54-F58 PolarHBondContact O-N 3.28Å
55L94.8Very high87.2Confident11 Ų1178.4 Ų78.46%0.05838%0.375CS..Hα-helixtrans-63.7-55.6172.3-69.7168.4000110.5R50 S51 A52 Y57 F58 D59 Y95 R98 A99R50-L55 HydrophobicContact CB-CD2 4.03Å; R50-L55 HydrophobicContact CB-CG 3.93Å; R50-L55 HydrophobicContact CG-CD2 4.46Å; S51-L55 PolarHBondContact O-N 3.5Å; A52-L55 PolarHBondContact O-N 2.86Å; L55-Y57 VanDerWaalsContact C-N 3.28Å; L55-Y57 PolarHBondContact O-N 3.34Å; L55-F58 PolarHBondContact O-N 3.35Å; L55-F58 VanDerWaalsContact O-N 3.1Å; L55-D59 PolarHBondContact O-N 3.36Å; L55-D59 VanDerWaalsContact O-N 3.12Å; L55-Y95 HydrophobicContact CB-CD1 3.8Å; L55-Y95 HydrophobicContact CB-CE1 4.28Å; L55-R98 HydrophobicContact CD1-CB 4.04Å; L55-R98 HydrophobicContact CD1-CG 3.98Å; L55-A99 HydrophobicContact CD1-CB 4Å
56Y96.6Very high89.2Confident10 Ų1075.9 Ų75.94%0.03938%0.375CS..Hα-helixtrans-55-42176.5174.2-101.2000113A52 F58 D59 V60 I80 S83 W84 L87 Y95A52-Y56 PolarHBondContact O-N 2.88Å; Y56-F58 VanDerWaalsContact C-N 3.33Å; Y56-F58 PolarHBondContact O-N 3.47Å; Y56-D59 PolarHBondContact O-N 3.27Å; Y56-V60 HydrophobicContact CD2-CG2 3.84Å; Y56-V60 HydrophobicContact CE1-CG2 4.23Å; Y56-V60 HydrophobicContact CE2-CB 4.47Å; Y56-V60 HydrophobicContact CE2-CG2 3.37Å; Y56-V60 HydrophobicContact CG-CG2 4.47Å; Y56-V60 PolarHBondContact O-N 3.4Å; Y56-I80 HydrophobicContact CD1-CG2 4.09Å; Y56-I80 HydrophobicContact CE1-CG2 3.89Å; Y56-S83 VanDerWaalsContact OH-CB 3.22Å; Y56-S83 WeakPolarHBondContact OH-CB 3.22Å; Y56-S83 PolarHBondContact OH-OG 2.62Å; Y56-W84 HydrophobicContact CD1-CB 3.96Å; Y56-W84 HydrophobicContact CD1-CD2 4.19Å; Y56-W84 AromaticContact CD1-CE3 3.48Å; Y56-W84 HydrophobicContact CD1-CE3 3.48Å; Y56-W84 VanDerWaalsContact CD1-CE3 3.48Å; Y56-W84 HydrophobicContact CD1-CG 4.42Å; Y56-W84 HydrophobicContact CD1-CZ3 4.35Å; Y56-W84 HydrophobicContact CD2-CE3 4.15Å; Y56-W84 HydrophobicContact CD2-CZ3 4.46Å; Y56-W84 HydrophobicContact CE1-CB 3.7Å; Y56-W84 HydrophobicContact CE1-CE3 4.11Å; Y56-W84 AromaticContact CG-CE3 3.48Å; Y56-W84 HydrophobicContact CG-CE3 3.48Å; Y56-W84 VanDerWaalsContact CG-CE3 3.48Å; Y56-W84 AromaticContact CG-CZ3 3.92Å; Y56-W84 HydrophobicContact CG-CZ3 3.92Å; Y56-L87 HydrophobicContact CD2-CD1 3.88Å; Y56-L87 HydrophobicContact CE1-CD1 4.48Å; Y56-L87 HydrophobicContact CE2-CD1 3.62Å; Y56-L87 HydrophobicContact CE2-CD2 3.99Å; Y56-L87 HydrophobicContact CE2-CG 4.21Å; Y56-L87 HydrophobicContact CG-CD1 4.4Å; Y56-Y95 HydrophobicContact CD2-CD2 4.1Å; Y56-Y95 AromaticContact CD2-CE2 3.57Å; Y56-Y95 HydrophobicContact CD2-CE2 3.57Å; Y56-Y95 AromaticContact CD2-CZ 3.82Å; Y56-Y95 HydrophobicContact CE2-CE2 4.47Å; Y56-Y95 HydrophobicContact CG-CE2 4.35Å
57Y95.7Very high90.3Very high41 Ų4174.6 Ų74.616%0.16138%0.378CS..Hα-helixtrans-58.4-43.4178173.4-79.8000111.5Y53 L55 H61 Q73 N77 I80Y53-Y57 WeakPolarHBondContact O-CB 3.18Å; Y53-Y57 PolarHBondContact O-N 3.42Å; L55-Y57 VanDerWaalsContact C-N 3.28Å; L55-Y57 PolarHBondContact O-N 3.34Å; Y57-H61 HydrophobicContact CD1-CB 4.43Å; Y57-H61 HydrophobicContact CE1-CB 4.17Å; Y57-H61 WeakPolarHBondContact O-CA 3.49Å; Y57-H61 WeakPolarHBondContact O-CB 3.4Å; Y57-H61 PolarHBondContact O-N 3.19Å; Y57-Q73 PolarHBondContact OH-NE2 3.2Å; Y57-Q73 VanDerWaalsContact OH-NE2 3.16Å; Y57-N77 PolarHBondContact OH-OD1 3.47Å; Y57-I80 HydrophobicContact CD2-CB 4.45Å; Y57-I80 HydrophobicContact CD2-CD1 4.02Å; Y57-I80 HydrophobicContact CD2-CG2 3.79Å; Y57-I80 HydrophobicContact CE2-CD1 4.01Å; Y57-I80 HydrophobicContact CG-CG2 4.36Å
58F94.6Very high90.6Very high100 Ų10068.1 Ų68.144%0.43935%0.354SS..Hα-helixtrans-70.4-44.8178.8-73.1-60.1000112.1L54 L55 Y56 V60 H61 Q62L54-F58 HydrophobicContact CD2-CE2 4.24Å; L54-F58 WeakPolarHBondContact O-CD2 3Å; L54-F58 PolarHBondContact O-N 3.28Å; L55-F58 PolarHBondContact O-N 3.35Å; L55-F58 VanDerWaalsContact O-N 3.1Å; Y56-F58 VanDerWaalsContact C-N 3.33Å; Y56-F58 PolarHBondContact O-N 3.47Å; F58-V60 PolarHBondContact O-N 3.09Å; F58-H61 PolarHBondContact O-N 3.2Å; F58-Q62 WeakPolarHBondContact O-CB 3.19Å; F58-Q62 PolarHBondContact O-N 2.9Å
59D94.2Very high90.5Very high60 Ų6065 Ų6532%0.32135%0.351SS..Hα-helixtrans-58.9-47.3180-68.7-3.8000110.5L55 Y56 V63 Y95 R98L55-D59 PolarHBondContact O-N 3.36Å; L55-D59 VanDerWaalsContact O-N 3.12Å; Y56-D59 PolarHBondContact O-N 3.27Å; D59-V63 WeakPolarHBondContact O-CG2 3.46Å; D59-V63 PolarHBondContact O-N 2.74Å; D59-Y95 WeakPolarHBondContact OD2-CE1 3.45Å; D59-Y95 PolarHBondContact OD2-OH 3.38Å; D59-R98 IonicContact OD2-CZ 3.98Å; D59-R98 IonicContact OD2-NH1 3.58Å; D59-R98 PolarHBondContact OD2-NH1 3.33Å; D59-R98 IonicContact OD2-NH2 2.67Å
60V94.1Very high90.5Very high24 Ų2470.2 Ų70.215%0.14538%0.376CS..Hα-helixtrans-80.8-32.3180-179.30000113.5Y56 F58 Q62 V63 M64 I80Y56-V60 HydrophobicContact CD2-CG2 3.84Å; Y56-V60 HydrophobicContact CE1-CG2 4.23Å; Y56-V60 HydrophobicContact CE2-CB 4.47Å; Y56-V60 HydrophobicContact CE2-CG2 3.37Å; Y56-V60 HydrophobicContact CG-CG2 4.47Å; Y56-V60 PolarHBondContact O-N 3.4Å; F58-V60 PolarHBondContact O-N 3.09Å; V60-Q62 VanDerWaalsContact C-N 3.3Å; V60-Q62 PolarHBondContact O-N 2.89Å; V60-V63 PolarHBondContact O-N 2.9Å; V60-M64 HydrophobicContact CG1-CE 4.02Å; V60-M64 HydrophobicContact CG1-CG 3.87Å; V60-M64 WeakPolarHBondContact O-CB 3.35Å; V60-M64 WeakPolarHBondContact O-CG 3.49Å; V60-M64 PolarHBondContact O-N 2.97Å; V60-I80 HydrophobicContact CB-CG1 4.4Å; V60-I80 HydrophobicContact CG1-CG1 3.99Å
61H93Very high90.2Very high29 Ų2967.8 Ų67.813%0.13437%0.371CS..Hα-helixtrans-60.6-42.3173176.4-111.6000111.1Y57 F58 V63 M64 Q65 Q73 I80Y57-H61 HydrophobicContact CD1-CB 4.43Å; Y57-H61 HydrophobicContact CE1-CB 4.17Å; Y57-H61 WeakPolarHBondContact O-CA 3.49Å; Y57-H61 WeakPolarHBondContact O-CB 3.4Å; Y57-H61 PolarHBondContact O-N 3.19Å; F58-H61 PolarHBondContact O-N 3.2Å; H61-V63 PolarHBondContact O-N 3.1Å; H61-M64 PolarHBondContact O-N 2.83Å; H61-Q65 PolarHBondContact CE1-OE1 2.87Å; H61-Q65 VanDerWaalsContact O-CB 3.3Å; H61-Q65 WeakPolarHBondContact O-CB 3.32Å; H61-Q65 PolarHBondContact O-N 3.45Å; H61-Q73 PolarHBondContact CD2-NE2 2.98Å; H61-Q73 PolarHBondContact NE2-NE2 3.04Å; H61-Q73 PolarHBondContact NE2-OE1 2.98Å; H61-I80 HydrophobicContact CB-CD1 3.71Å
62Q92.6Very high90Very high105 Ų10568.6 Ų68.649%0.49138%0.375SS..Hα-helixtrans-62.4-43.6177.9-175.45990.500112F58 V60 L66F58-Q62 WeakPolarHBondContact O-CB 3.19Å; F58-Q62 PolarHBondContact O-N 2.9Å; V60-Q62 VanDerWaalsContact C-N 3.3Å; V60-Q62 PolarHBondContact O-N 2.89Å; Q62-L66 HydrophobicContact CG-CD1 4.33Å; Q62-L66 WeakPolarHBondContact O-CD1 3.38Å; Q62-L66 VanDerWaalsContact O-CG 3.29Å; Q62-L66 WeakPolarHBondContact O-CG 3.48Å; Q62-L66 PolarHBondContact O-N 3.31Å
63V90.8Very high89.7Confident96 Ų9672 Ų7258%0.58239%0.39SS*.Hα-helixtrans-65.1-47.9176.1172.80000111.5D59 V60 H61 Q65 L66 G67D59-V63 WeakPolarHBondContact O-CG2 3.46Å; D59-V63 PolarHBondContact O-N 2.74Å; V60-V63 PolarHBondContact O-N 2.9Å; H61-V63 PolarHBondContact O-N 3.1Å; V63-Q65 VanDerWaalsContact C-N 3.33Å; V63-Q65 PolarHBondContact O-N 2.82Å; V63-L66 PolarHBondContact O-N 2.87Å; V63-G67 PolarHBondContact O-N 2.88Å
64M88.6Confident89.6Confident67 Ų6772.9 Ų72.933%0.3341%0.407SS..Hα-helixtrans-64.3-36.2-179.4-68.8-74.6163.900112.4V60 H61 T68 V76V60-M64 HydrophobicContact CG1-CE 4.02Å; V60-M64 HydrophobicContact CG1-CG 3.87Å; V60-M64 WeakPolarHBondContact O-CB 3.35Å; V60-M64 WeakPolarHBondContact O-CG 3.49Å; V60-M64 PolarHBondContact O-N 2.97Å; H61-M64 PolarHBondContact O-N 2.83Å; M64-T68 WeakPolarHBondContact O-CA 3.35Å; M64-T68 PolarHBondContact O-N 3.4Å; M64-T68 PolarHBondContact O-OG1 3.11Å; M64-V76 HydrophobicContact CB-CG1 3.72Å; M64-V76 HydrophobicContact CG-CG1 4.43Å
65Q86.2Confident89.5Confident95 Ų9571.6 Ų71.644%0.44440%0.399SS..Hα-helixtrans-72.9-31.4177.7-170.4166.820.800112.7H61 V63 P69H61-Q65 PolarHBondContact CE1-OE1 2.87Å; H61-Q65 VanDerWaalsContact O-CB 3.3Å; H61-Q65 WeakPolarHBondContact O-CB 3.32Å; H61-Q65 PolarHBondContact O-N 3.45Å; V63-Q65 VanDerWaalsContact C-N 3.33Å; V63-Q65 PolarHBondContact O-N 2.82Å; Q65-P69 WeakPolarHBondContact O-CA 3.26Å
66L87.6Confident89.5Confident132 Ų13271.4 Ų71.469%0.69140%0.398SS*.Hα-helixtrans-72.3-43.2172.3-71.3168000111.8Q62 V63Q62-L66 HydrophobicContact CG-CD1 4.33Å; Q62-L66 WeakPolarHBondContact O-CD1 3.38Å; Q62-L66 VanDerWaalsContact O-CG 3.29Å; Q62-L66 WeakPolarHBondContact O-CG 3.48Å; Q62-L66 PolarHBondContact O-N 3.31Å; V63-L66 PolarHBondContact O-N 2.87Å
67G83.9Confident89.4Confident62 Ų6273.6 Ų73.664%0.63941%0.41SS*.Hα-helixtrans-75-27.417900000114.7V63V63-G67 PolarHBondContact O-N 2.88Å
68T77Confident89.4Confident50 Ų5076.2 Ų76.231%0.30742%0.423SS..  trans-139.566.7-177.355.20000113.2M64 N70 L71M64-T68 WeakPolarHBondContact O-CA 3.35Å; M64-T68 PolarHBondContact O-N 3.4Å; M64-T68 PolarHBondContact O-OG1 3.11Å; T68-N70 PolarHBondContact O-N 3.49Å; T68-L71 PolarHBondContact O-N 2.95Å; T68-L71 VanDerWaalsContact O-N 3.14Å
69P77.4Confident89.4Confident106 Ų10677.4 Ų77.469%0.68842%0.424SS*.THydrogen-bonded Turntrans-65.3-10.4-173.226.3-36.1000115.4Q65Q65-P69 WeakPolarHBondContact O-CA 3.26Å
70N82.3Confident89.4Confident158 Ų15874.5 Ų74.585%0.84541%0.409SS*.THydrogen-bonded Turntrans-98.4-8.6178.5-161.3-107.6000114T68T68-N70 PolarHBondContact O-N 3.49Å
71L83.6Confident89.6Confident63 Ų6375.9 Ų75.933%0.3342%0.419SS..SBendtrans-71.7137.9-178.8-110.866.3000111.5T68 E75 V76T68-L71 PolarHBondContact O-N 2.95Å; T68-L71 VanDerWaalsContact O-N 3.14Å; L71-E75 HydrophobicContact CD2-CG 4.04Å; L71-V76 HydrophobicContact CB-CG2 4Å
72P90.5Very high89.7Confident79 Ų7978.1 Ų78.151%0.51343%0.43SS..  trans-67.4137.8177.228-34.1000110.5S74 E75 V76P72-S74 PolarHBondContact O-N 3.41Å; P72-E75 HydrophobicContact CG-CB 4.14Å; P72-E75 PolarHBondContact O-N 3.28Å; P72-V76 PolarHBondContact O-N 3.29Å
73Q89.3Confident89.9Confident79 Ų7975.4 Ų75.437%0.36942%0.422SS..Hα-helixtrans-51-29.2-178-172.467.541.500113.6Y57 H61 V76 N77Y57-Q73 PolarHBondContact OH-NE2 3.2Å; Y57-Q73 VanDerWaalsContact OH-NE2 3.16Å; H61-Q73 PolarHBondContact CD2-NE2 2.98Å; H61-Q73 PolarHBondContact NE2-NE2 3.04Å; H61-Q73 PolarHBondContact NE2-OE1 2.98Å; Q73-V76 PolarHBondContact O-N 3.06Å; Q73-N77 PolarHBondContact NE2-OD1 3.27Å; Q73-N77 VanDerWaalsContact O-CB 3.29Å; Q73-N77 WeakPolarHBondContact O-CB 3.37Å; Q73-N77 PolarHBondContact O-N 2.87Å; Q73-N77 PolarHBondContact O-OD1 2.72Å; Q73-N77 VanDerWaalsContact O-OD1 3.09Å
74S93.4Very high90.2Very high90 Ų9073.4 Ų73.463%0.62940%0.404SS*.Hα-helixtrans-64.1-38.517549.80000113.8P72 K78P72-S74 PolarHBondContact O-N 3.41Å; S74-K78 WeakPolarHBondContact O-CB 3.13Å; S74-K78 PolarHBondContact O-N 2.86Å
75E93.8Very high90.5Very high47 Ų4779.4 Ų79.422%0.2242%0.423CS..Hα-helixtrans-76.1-37.2176.5177.861-164.700110.7L71 P72 K78 R79L71-E75 HydrophobicContact CD2-CG 4.04Å; P72-E75 HydrophobicContact CG-CB 4.14Å; P72-E75 PolarHBondContact O-N 3.28Å; E75-K78 PolarHBondContact O-N 3.09Å; E75-K78 IonicContact OE1-NZ 3.9Å; E75-K78 WeakPolarHBondContact OE2-CD 3.49Å; E75-K78 IonicContact OE2-NZ 3.9Å; E75-K78 PolarHBondContact OE2-NZ 3.14Å; E75-R79 WeakPolarHBondContact O-CG 3.43Å; E75-R79 PolarHBondContact O-N 3.47Å; E75-R79 IonicContact OE1-CZ 2.88Å; E75-R79 IonicContact OE1-NE 2.77Å; E75-R79 PolarHBondContact OE1-NE 2.91Å; E75-R79 IonicContact OE1-NH2 3.77Å; E75-R79 PolarHBondContact OE1-NH2 3.38Å
76V93.5Very high91Very high6 Ų684.7 Ų84.74%0.03644%0.439CS..Hα-helixtrans-61.5-47.4172.9-172.90000110.6M64 L71 P72 Q73 K78 R79 I80M64-V76 HydrophobicContact CB-CG1 3.72Å; M64-V76 HydrophobicContact CG-CG1 4.43Å; L71-V76 HydrophobicContact CB-CG2 4Å; P72-V76 PolarHBondContact O-N 3.29Å; Q73-V76 PolarHBondContact O-N 3.06Å; V76-K78 VanDerWaalsContact C-N 3.31Å; V76-K78 PolarHBondContact O-N 2.74Å; V76-R79 PolarHBondContact O-N 2.93Å; V76-I80 HydrophobicContact CG1-CD1 3.94Å; V76-I80 VanDerWaalsContact O-CG1 3.3Å; V76-I80 WeakPolarHBondContact O-CG1 3.33Å; V76-I80 PolarHBondContact O-N 3.01Å
77N94.7Very high91.4Very high56 Ų5679.3 Ų79.330%0.29941%0.411SS..Hα-helixtrans-59.3-40.8175.5-738.2000112.5Y57 Q73 S81Y57-N77 PolarHBondContact OH-OD1 3.47Å; Q73-N77 PolarHBondContact NE2-OD1 3.27Å; Q73-N77 VanDerWaalsContact O-CB 3.29Å; Q73-N77 WeakPolarHBondContact O-CB 3.37Å; Q73-N77 PolarHBondContact O-N 2.87Å; Q73-N77 PolarHBondContact O-OD1 2.72Å; Q73-N77 VanDerWaalsContact O-OD1 3.09Å; N77-S81 WeakPolarHBondContact O-CB 3.29Å; N77-S81 PolarHBondContact O-N 3.29Å; N77-S81 PolarHBondContact O-OG 2.82Å
78K95.6Very high92Very high97 Ų9778.9 Ų78.942%0.42240%0.398SS..Hα-helixtrans-62.7-49.5176.7174.1-178.2147.2-134.90110.8S74 E75 V76 I80 S81 E82S74-K78 WeakPolarHBondContact O-CB 3.13Å; S74-K78 PolarHBondContact O-N 2.86Å; E75-K78 PolarHBondContact O-N 3.09Å; E75-K78 IonicContact OE1-NZ 3.9Å; E75-K78 WeakPolarHBondContact OE2-CD 3.49Å; E75-K78 IonicContact OE2-NZ 3.9Å; E75-K78 PolarHBondContact OE2-NZ 3.14Å; V76-K78 VanDerWaalsContact C-N 3.31Å; V76-K78 PolarHBondContact O-N 2.74Å; K78-I80 PolarHBondContact O-N 2.94Å; K78-S81 PolarHBondContact O-N 3.13Å; K78-S81 VanDerWaalsContact O-N 3.11Å; K78-E82 WeakPolarHBondContact CE-OE1 3.5Å; K78-E82 WeakPolarHBondContact CG-OE1 3.29Å; K78-E82 WeakPolarHBondContact O-CG 3.49Å; K78-E82 PolarHBondContact O-N 2.83Å
79R94.8Very high92.9Very high124 Ų12482.3 Ų82.347%0.46842%0.419SS..Hα-helixtrans-59.8-42177.5-71.8-179.1-177.5-144.4-1.8112.5E75 V76 E82 S83E75-R79 WeakPolarHBondContact O-CG 3.43Å; E75-R79 PolarHBondContact O-N 3.47Å; E75-R79 IonicContact OE1-CZ 2.88Å; E75-R79 IonicContact OE1-NE 2.77Å; E75-R79 PolarHBondContact OE1-NE 2.91Å; E75-R79 IonicContact OE1-NH2 3.77Å; E75-R79 PolarHBondContact OE1-NH2 3.38Å; V76-R79 PolarHBondContact O-N 2.93Å; R79-E82 PolarHBondContact O-N 3.39Å; R79-S83 WeakPolarHBondContact O-CB 3.15Å; R79-S83 PolarHBondContact O-N 3.41Å
80I95.7Very high93.7Very high0 Ų080.5 Ų80.50%041%0.413CS..Hα-helixtrans-62.5-43.6173.8-64.7162.7000111.2Y53 Y56 Y57 V60 H61 V76 K78 E82 S83 W84Y53-I80 HydrophobicContact CE2-CG2 4.22Å; Y56-I80 HydrophobicContact CD1-CG2 4.09Å; Y56-I80 HydrophobicContact CE1-CG2 3.89Å; Y57-I80 HydrophobicContact CD2-CB 4.45Å; Y57-I80 HydrophobicContact CD2-CD1 4.02Å; Y57-I80 HydrophobicContact CD2-CG2 3.79Å; Y57-I80 HydrophobicContact CE2-CD1 4.01Å; Y57-I80 HydrophobicContact CG-CG2 4.36Å; V60-I80 HydrophobicContact CB-CG1 4.4Å; V60-I80 HydrophobicContact CG1-CG1 3.99Å; H61-I80 HydrophobicContact CB-CD1 3.71Å; V76-I80 HydrophobicContact CG1-CD1 3.94Å; V76-I80 VanDerWaalsContact O-CG1 3.3Å; V76-I80 WeakPolarHBondContact O-CG1 3.33Å; V76-I80 PolarHBondContact O-N 3.01Å; K78-I80 PolarHBondContact O-N 2.94Å; I80-E82 PolarHBondContact O-N 3.02Å; I80-S83 PolarHBondContact O-N 3.29Å; I80-W84 WeakPolarHBondContact O-CB 3.37Å; I80-W84 PolarHBondContact O-N 2.82Å
81S96.4Very high94.3Very high52 Ų5277.4 Ų77.436%0.36439%0.393SS..Hα-helixtrans-67.4-35.1-179.7-55.80000112.9Y53 N77 K78Y53-S81 PolarHBondContact OH-OG 2.8Å; N77-S81 WeakPolarHBondContact O-CB 3.29Å; N77-S81 PolarHBondContact O-N 3.29Å; N77-S81 PolarHBondContact O-OG 2.82Å; K78-S81 PolarHBondContact O-N 3.13Å; K78-S81 VanDerWaalsContact O-N 3.11Å
82E96.7Very high94.9Very high76 Ų7677.1 Ų77.136%0.35539%0.389SS..Hα-helixtrans-74.8-41.3174.3-72.4177-156.300111.5K78 R79 I80 R85 R86K78-E82 WeakPolarHBondContact CE-OE1 3.5Å; K78-E82 WeakPolarHBondContact CG-OE1 3.29Å; K78-E82 WeakPolarHBondContact O-CG 3.49Å; K78-E82 PolarHBondContact O-N 2.83Å; R79-E82 PolarHBondContact O-N 3.39Å; I80-E82 PolarHBondContact O-N 3.02Å; E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 3.18Å; E82-R86 WeakPolarHBondContact O-CG 3.22Å; E82-R86 PolarHBondContact O-N 3.27Å
83S96Very high95.1Very high48 Ų4876.1 Ų76.134%0.33638%0.384SS..Hα-helixtrans-67.4-44.6179.3-1680000111.6Y56 R79 I80 R85 R86 L87Y56-S83 VanDerWaalsContact OH-CB 3.22Å; Y56-S83 WeakPolarHBondContact OH-CB 3.22Å; Y56-S83 PolarHBondContact OH-OG 2.62Å; R79-S83 WeakPolarHBondContact O-CB 3.15Å; R79-S83 PolarHBondContact O-N 3.41Å; I80-S83 PolarHBondContact O-N 3.29Å; S83-R85 PolarHBondContact O-N 3.49Å; S83-R86 CarbonylContact O-C 3.24Å; S83-R86 WeakPolarHBondContact O-CA 3.41Å; S83-R86 PolarHBondContact O-N 2.73Å; S83-L87 PolarHBondContact O-N 3.25Å
84W96.8Very high95.5Very high54 Ų5478 Ų7821%0.20539%0.389CS..Hα-helixtrans-53.6-39.2172.3176.4-104.6000112.8A52 Y53 Y56 I80 L87 K92 Y95A52-W84 HydrophobicContact CB-CH2 3.78Å; A52-W84 HydrophobicContact CB-CZ2 4.26Å; Y53-W84 HydrophobicContact CD2-CB 3.89Å; Y53-W84 AromaticContact CD2-CD1 3.62Å; Y53-W84 AromaticContact CD2-CD2 3.69Å; Y53-W84 HydrophobicContact CD2-CD2 3.69Å; Y53-W84 HydrophobicContact CD2-CE3 4.34Å; Y53-W84 AromaticContact CD2-CG 3.43Å; Y53-W84 HydrophobicContact CD2-CG 3.43Å; Y53-W84 VanDerWaalsContact CD2-CG 3.43Å; Y53-W84 AromaticContact CD2-NE1 3.96Å; Y53-W84 HydrophobicContact CE2-CB 3.83Å; Y53-W84 AromaticContact CE2-CG 3.89Å; Y53-W84 HydrophobicContact CE2-CG 3.89Å; Y56-W84 HydrophobicContact CD1-CB 3.96Å; Y56-W84 HydrophobicContact CD1-CD2 4.19Å; Y56-W84 AromaticContact CD1-CE3 3.48Å; Y56-W84 HydrophobicContact CD1-CE3 3.48Å; Y56-W84 VanDerWaalsContact CD1-CE3 3.48Å; Y56-W84 HydrophobicContact CD1-CG 4.42Å; Y56-W84 HydrophobicContact CD1-CZ3 4.35Å; Y56-W84 HydrophobicContact CD2-CE3 4.15Å; Y56-W84 HydrophobicContact CD2-CZ3 4.46Å; Y56-W84 HydrophobicContact CE1-CB 3.7Å; Y56-W84 HydrophobicContact CE1-CE3 4.11Å; Y56-W84 AromaticContact CG-CE3 3.48Å; Y56-W84 HydrophobicContact CG-CE3 3.48Å; Y56-W84 VanDerWaalsContact CG-CE3 3.48Å; Y56-W84 AromaticContact CG-CZ3 3.92Å; Y56-W84 HydrophobicContact CG-CZ3 3.92Å; I80-W84 WeakPolarHBondContact O-CB 3.37Å; I80-W84 PolarHBondContact O-N 2.82Å; W84-L87 HydrophobicContact CD2-CD1 4.31Å; W84-L87 HydrophobicContact CE3-CD1 3.45Å; W84-L87 VanDerWaalsContact CE3-CD1 3.45Å; W84-L87 HydrophobicContact CZ3-CD1 3.81Å; W84-K92 HydrophobicContact CH2-CG 4.33Å; W84-K92 HydrophobicContact CZ2-CG 4.47Å; W84-K92 WeakPolarHBondContact O-CE 3.29Å; W84-Y95 HydrophobicContact CZ3-CD2 4.13Å; W84-Y95 HydrophobicContact CZ3-CG 4.24Å
85R96.1Very high95.6Very high194 Ų19475.2 Ų75.273%0.73236%0.364SS*.Hα-helixtrans-64.4-42.8176.8-163.7-173.6-53.7-1542.2111.3E82 S83 K92E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 3.18Å; S83-R85 PolarHBondContact O-N 3.49Å; R85-K92 PolarHBondContact O-NZ 2.94Å
86R96.6Very high95.7Very high206 Ų20675.9 Ų75.978%0.77737%0.369SS*.Hα-helixtrans-80.5-15.3-177.2-65.2178.8-166.7-129.98.7115E82 S83E82-R86 WeakPolarHBondContact O-CG 3.22Å; E82-R86 PolarHBondContact O-N 3.27Å; S83-R86 CarbonylContact O-C 3.24Å; S83-R86 WeakPolarHBondContact O-CA 3.41Å; S83-R86 PolarHBondContact O-N 2.73Å
87L95.8Very high95.7Very high19 Ų1981.3 Ų81.310%0.09939%0.394CS..SBendtrans-51.9146.6175.3-71.2-178.7000111.7Y56 S83 W84 E91 K92Y56-L87 HydrophobicContact CD2-CD1 3.88Å; Y56-L87 HydrophobicContact CE1-CD1 4.48Å; Y56-L87 HydrophobicContact CE2-CD1 3.62Å; Y56-L87 HydrophobicContact CE2-CD2 3.99Å; Y56-L87 HydrophobicContact CE2-CG 4.21Å; Y56-L87 HydrophobicContact CG-CD1 4.4Å; S83-L87 PolarHBondContact O-N 3.25Å; W84-L87 HydrophobicContact CD2-CD1 4.31Å; W84-L87 HydrophobicContact CE3-CD1 3.45Å; W84-L87 VanDerWaalsContact CE3-CD1 3.45Å; W84-L87 HydrophobicContact CZ3-CD1 3.81Å; L87-E91 HydrophobicContact CB-CB 4.21Å; L87-E91 HydrophobicContact CD1-CB 4.32Å; L87-E91 HydrophobicContact CD2-CB 4.15Å; L87-E91 HydrophobicContact CG-CB 4.46Å; L87-K92 HydrophobicContact CB-CD 4.34Å; L87-K92 HydrophobicContact CB-CG 3.91Å; L87-K92 HydrophobicContact CD1-CG 4.32Å; L87-K92 WeakPolarHBondContact O-CE 3.42Å; L87-K92 PolarHBondContact O-NZ 3.27Å
88S96.8Very high95.6Very high52 Ų5282.9 Ų82.936%0.36440%0.396SS..  trans-63.9163.3170.867.40000112.1A90 E91 K92S88-A90 PolarHBondContact O-N 3.35Å; S88-E91 VanDerWaalsContact CB-OE2 3.25Å; S88-E91 WeakPolarHBondContact CB-OE2 3.3Å; S88-E91 PolarHBondContact N-OE2 2.97Å; S88-E91 PolarHBondContact O-N 3.31Å; S88-E91 VanDerWaalsContact OG-CG 3.31Å; S88-E91 WeakPolarHBondContact OG-CG 3.35Å; S88-E91 PolarHBondContact OG-N 3.45Å; S88-E91 PolarHBondContact OG-OE2 3.16Å; S88-K92 WeakPolarHBondContact O-CB 3.31Å; S88-K92 WeakPolarHBondContact O-CG 3.29Å; S88-K92 PolarHBondContact O-N 3.24Å
89V95.5Very high95.5Very high123 Ų12378.9 Ų78.975%0.74538%0.381SS*.Hα-helixtrans-60.2-37.1173.9-178.90000111K92 S93V89-K92 PolarHBondContact O-N 2.88Å; V89-S93 VanDerWaalsContact O-CB 3.3Å; V89-S93 WeakPolarHBondContact O-CB 3.43Å; V89-S93 PolarHBondContact O-N 3.41Å; V89-S93 PolarHBondContact O-OG 2.95Å
90A94.5Very high95.4Very high68 Ų6879.3 Ų79.356%0.56239%0.386SS*.Hα-helixtrans-66.2-44178.600000113S88 S93 Y94S88-A90 PolarHBondContact O-N 3.35Å; A90-S93 WeakPolarHBondContact CA-OG 3.38Å; A90-S93 PolarHBondContact O-N 2.89Å; A90-S93 PolarHBondContact O-OG 3Å; A90-Y94 PolarHBondContact O-N 3.29Å; A90-Y94 VanDerWaalsContact O-N 3.1Å
91E94.5Very high95.1Very high93 Ų9384.8 Ų84.844%0.43542%0.415SS..Hα-helixtrans-66-43.2175.5-67.8161.4110.700111L87 S88 S93 Y94 Y95L87-E91 HydrophobicContact CB-CB 4.21Å; L87-E91 HydrophobicContact CD1-CB 4.32Å; L87-E91 HydrophobicContact CD2-CB 4.15Å; L87-E91 HydrophobicContact CG-CB 4.46Å; S88-E91 VanDerWaalsContact CB-OE2 3.25Å; S88-E91 WeakPolarHBondContact CB-OE2 3.3Å; S88-E91 PolarHBondContact N-OE2 2.97Å; S88-E91 PolarHBondContact O-N 3.31Å; S88-E91 VanDerWaalsContact OG-CG 3.31Å; S88-E91 WeakPolarHBondContact OG-CG 3.35Å; S88-E91 PolarHBondContact OG-N 3.45Å; S88-E91 PolarHBondContact OG-OE2 3.16Å; E91-S93 VanDerWaalsContact C-N 3.32Å; E91-S93 PolarHBondContact O-N 2.86Å; E91-Y94 PolarHBondContact O-N 3.45Å; E91-Y95 VanDerWaalsContact O-CD2 3.26Å; E91-Y95 WeakPolarHBondContact O-CD2 3.41Å; E91-Y95 PolarHBondContact O-N 2.78Å
92K95.6Very high94.6Very high57 Ų5784.7 Ų84.725%0.24841%0.408CS..Hα-helixtrans-60-41.4173.7-74.9163.1174152.90111.4W84 R85 L87 S88 V89 Y95 L96W84-K92 HydrophobicContact CH2-CG 4.33Å; W84-K92 HydrophobicContact CZ2-CG 4.47Å; W84-K92 WeakPolarHBondContact O-CE 3.29Å; R85-K92 PolarHBondContact O-NZ 2.94Å; L87-K92 HydrophobicContact CB-CD 4.34Å; L87-K92 HydrophobicContact CB-CG 3.91Å; L87-K92 HydrophobicContact CD1-CG 4.32Å; L87-K92 WeakPolarHBondContact O-CE 3.42Å; L87-K92 PolarHBondContact O-NZ 3.27Å; S88-K92 WeakPolarHBondContact O-CB 3.31Å; S88-K92 WeakPolarHBondContact O-CG 3.29Å; S88-K92 PolarHBondContact O-N 3.24Å; V89-K92 PolarHBondContact O-N 2.88Å; K92-Y95 PolarHBondContact O-N 3.04Å; K92-L96 VanDerWaalsContact O-CG 3.31Å; K92-L96 WeakPolarHBondContact O-CG 3.09Å; K92-L96 PolarHBondContact O-N 3.18Å
93S95.8Very high93.9Very high57 Ų5785.2 Ų85.240%0.39941%0.41SS..Hα-helixtrans-66.8-38.9-178.469.10000112.5V89 A90 E91 Y95 L96 E97V89-S93 VanDerWaalsContact O-CB 3.3Å; V89-S93 WeakPolarHBondContact O-CB 3.43Å; V89-S93 PolarHBondContact O-N 3.41Å; V89-S93 PolarHBondContact O-OG 2.95Å; A90-S93 WeakPolarHBondContact CA-OG 3.38Å; A90-S93 PolarHBondContact O-N 2.89Å; A90-S93 PolarHBondContact O-OG 3Å; E91-S93 VanDerWaalsContact C-N 3.32Å; E91-S93 PolarHBondContact O-N 2.86Å; S93-Y95 VanDerWaalsContact C-N 3.33Å; S93-Y95 PolarHBondContact O-N 3.4Å; S93-L96 PolarHBondContact O-N 3.04Å; S93-L96 VanDerWaalsContact O-N 3.14Å; S93-E97 WeakPolarHBondContact O-CB 3.21Å; S93-E97 PolarHBondContact O-N 2.79Å
94Y96.4Very high93.2Very high120 Ų12086.4 Ų86.447%0.47141%0.412SS..Hα-helixtrans-55.2-46.3171.8167.5-101.5000112.1A90 E91 E97 R98A90-Y94 PolarHBondContact O-N 3.29Å; A90-Y94 VanDerWaalsContact O-N 3.1Å; E91-Y94 PolarHBondContact O-N 3.45Å; Y94-E97 PolarHBondContact O-N 3.1Å; Y94-R98 VanDerWaalsContact O-CB 3.3Å; Y94-R98 WeakPolarHBondContact O-CB 3.25Å; Y94-R98 PolarHBondContact O-N 2.87Å; Y94-R98 PolarHBondContact OH-NH1 2.75Å
95Y96.4Very high92Very high30 Ų3085.7 Ų85.712%0.11842%0.421CS..Hα-helixtrans-71.3-30.6177-73.9-73000113.3A52 L55 Y56 D59 W84 E91 K92 S93 A99A52-Y95 WeakPolarHBondContact CA-O 3.11Å; A52-Y95 VanDerWaalsContact CB-C 3.46Å; A52-Y95 VanDerWaalsContact CB-O 3.31Å; A52-Y95 WeakPolarHBondContact CB-O 3.4Å; L55-Y95 HydrophobicContact CB-CD1 3.8Å; L55-Y95 HydrophobicContact CB-CE1 4.28Å; Y56-Y95 HydrophobicContact CD2-CD2 4.1Å; Y56-Y95 AromaticContact CD2-CE2 3.57Å; Y56-Y95 HydrophobicContact CD2-CE2 3.57Å; Y56-Y95 AromaticContact CD2-CZ 3.82Å; Y56-Y95 HydrophobicContact CE2-CE2 4.47Å; Y56-Y95 HydrophobicContact CG-CE2 4.35Å; D59-Y95 WeakPolarHBondContact OD2-CE1 3.45Å; D59-Y95 PolarHBondContact OD2-OH 3.38Å; W84-Y95 HydrophobicContact CZ3-CD2 4.13Å; W84-Y95 HydrophobicContact CZ3-CG 4.24Å; E91-Y95 VanDerWaalsContact O-CD2 3.26Å; E91-Y95 WeakPolarHBondContact O-CD2 3.41Å; E91-Y95 PolarHBondContact O-N 2.78Å; K92-Y95 PolarHBondContact O-N 3.04Å; S93-Y95 VanDerWaalsContact C-N 3.33Å; S93-Y95 PolarHBondContact O-N 3.4Å; Y95-A99 VanDerWaalsContact O-CB 3.26Å; Y95-A99 WeakPolarHBondContact O-CB 3.31Å; Y95-A99 PolarHBondContact O-N 3.33Å
96L94.7Very high90.8Very high61 Ų6178.4 Ų78.432%0.31940%0.397SS..Hα-helixtrans-68.8-41.6173.6-72.9163.2000112A52 K92 S93 A99 K100A52-L96 HydrophobicContact CB-CB 4.5Å; A52-L96 HydrophobicContact CB-CD2 3.78Å; A52-L96 HydrophobicContact CB-CG 3.96Å; K92-L96 VanDerWaalsContact O-CG 3.31Å; K92-L96 WeakPolarHBondContact O-CG 3.09Å; K92-L96 PolarHBondContact O-N 3.18Å; S93-L96 PolarHBondContact O-N 3.04Å; S93-L96 VanDerWaalsContact O-N 3.14Å; L96-A99 PolarHBondContact O-N 2.79Å; L96-K100 WeakPolarHBondContact O-CG 3.1Å; L96-K100 PolarHBondContact O-N 2.77Å
97E94.6Very high89Confident120 Ų12072.5 Ų72.556%0.56138%0.38SS*.Hα-helixtrans-64-50.1173.9-173.3-178.6171.100111.2S93 Y94 A99 K100 L101S93-E97 WeakPolarHBondContact O-CB 3.21Å; S93-E97 PolarHBondContact O-N 2.79Å; Y94-E97 PolarHBondContact O-N 3.1Å; E97-A99 PolarHBondContact O-N 3.45Å; E97-K100 WeakPolarHBondContact O-CB 3.37Å; E97-K100 PolarHBondContact O-N 3.45Å; E97-L101 HydrophobicContact CG-CD1 4.43Å; E97-L101 WeakPolarHBondContact O-CG 3.2Å; E97-L101 PolarHBondContact O-N 2.96Å
98R92.6Very high87.3Confident90 Ų9076.4 Ų76.434%0.3441%0.405SS..Hα-helixtrans-59.5-32.1177.2-164.6173173.9-154.5-6.1112.5L55 D59 Y94 E102L55-R98 HydrophobicContact CD1-CB 4.04Å; L55-R98 HydrophobicContact CD1-CG 3.98Å; D59-R98 IonicContact OD2-CZ 3.98Å; D59-R98 IonicContact OD2-NH1 3.58Å; D59-R98 PolarHBondContact OD2-NH1 3.33Å; D59-R98 IonicContact OD2-NH2 2.67Å; Y94-R98 VanDerWaalsContact O-CB 3.3Å; Y94-R98 WeakPolarHBondContact O-CB 3.25Å; Y94-R98 PolarHBondContact O-N 2.87Å; Y94-R98 PolarHBondContact OH-NH1 2.75Å; R98-E102 PolarHBondContact O-N 3.28Å; R98-E102 VanDerWaalsContact O-N 3.11Å
99A94.1Very high85.4Confident12 Ų1278.5 Ų78.510%0.09942%0.416CS..Hα-helixtrans-74.4-35.9173.200000113.8A52 L55 Y95 L96 E97 E102 K103A52-A99 HydrophobicContact CB-CB 4.25Å; L55-A99 HydrophobicContact CD1-CB 4Å; Y95-A99 VanDerWaalsContact O-CB 3.26Å; Y95-A99 WeakPolarHBondContact O-CB 3.31Å; Y95-A99 PolarHBondContact O-N 3.33Å; L96-A99 PolarHBondContact O-N 2.79Å; E97-A99 PolarHBondContact O-N 3.45Å; A99-E102 PolarHBondContact O-N 3.22Å; A99-K103 PolarHBondContact O-N 2.82Å; A99-K103 VanDerWaalsContact O-N 3.07Å
100K91.4Very high83.6Confident134 Ų13475.7 Ų75.758%0.58340%0.402SS*.Hα-helixtrans-61-48.4170.9-70.5166.8-176177.90110.1L96 E97 E102 K103 D104L96-K100 WeakPolarHBondContact O-CG 3.1Å; L96-K100 PolarHBondContact O-N 2.77Å; E97-K100 WeakPolarHBondContact O-CB 3.37Å; E97-K100 PolarHBondContact O-N 3.45Å; K100-E102 PolarHBondContact O-N 2.74Å; K100-K103 WeakPolarHBondContact O-CB 3.36Å; K100-K103 PolarHBondContact O-N 3.26Å; K100-K103 VanDerWaalsContact O-N 3.1Å; K100-D104 VanDerWaalsContact O-CG 3.24Å; K100-D104 PolarHBondContact O-N 3.45Å
101L89.6Confident81.5Confident115 Ų11580.5 Ų80.560%0.60241%0.412SS*.Hα-helixtrans-60-41177.3-65172.5000112.9E97 G105E97-L101 HydrophobicContact CG-CD1 4.43Å; E97-L101 WeakPolarHBondContact O-CG 3.2Å; E97-L101 PolarHBondContact O-N 2.96Å; L101-G105 PolarHBondContact O-N 2.89Å
102E85.9Confident79.2Confident49 Ų4981.4 Ų81.423%0.22943%0.429CS..Hα-helixtrans-65.4-37.3175-159.5-174.1104.500111.9P49 R50 R98 A99 K100 I106P49-E102 WeakPolarHBondContact CA-OE1 3.19Å; R50-E102 WeakPolarHBondContact CB-OE1 3.42Å; R50-E102 WeakPolarHBondContact CG-OE1 3.29Å; R50-E102 IonicContact CZ-OE2 3.83Å; R50-E102 PolarHBondContact N-OE1 2.93Å; R50-E102 IonicContact NH1-OE1 3.84Å; R50-E102 IonicContact NH1-OE2 2.8Å; R50-E102 PolarHBondContact NH1-OE2 3.41Å; R98-E102 PolarHBondContact O-N 3.28Å; R98-E102 VanDerWaalsContact O-N 3.11Å; A99-E102 PolarHBondContact O-N 3.22Å; K100-E102 PolarHBondContact O-N 2.74Å; E102-I106 HydrophobicContact CG-CD1 4.29Å; E102-I106 WeakPolarHBondContact O-CD1 3.5Å; E102-I106 VanDerWaalsContact O-CG1 3.28Å; E102-I106 WeakPolarHBondContact O-CG1 3.22Å; E102-I106 PolarHBondContact O-N 2.9Å
103K82.6Confident77.1Confident87 Ų8782.5 Ų82.538%0.37844%0.444SS..Hα-helixtrans-64.5-53.2174.4175.6-154156.6-630111.5P49 A99 K100 G105 I106 D107P49-K103 HydrophobicContact CB-CB 3.89Å; P49-K103 HydrophobicContact CG-CB 3.99Å; P49-K103 HydrophobicContact CG-CG 4.2Å; A99-K103 PolarHBondContact O-N 2.82Å; A99-K103 VanDerWaalsContact O-N 3.07Å; K100-K103 WeakPolarHBondContact O-CB 3.36Å; K100-K103 PolarHBondContact O-N 3.26Å; K100-K103 VanDerWaalsContact O-N 3.1Å; K103-G105 VanDerWaalsContact C-N 3.34Å; K103-G105 PolarHBondContact O-N 3.39Å; K103-I106 WeakPolarHBondContact O-CB 3.44Å; K103-I106 PolarHBondContact O-N 3.29Å; K103-D107 WeakPolarHBondContact CE-OD2 3.5Å; K103-D107 IonicContact NZ-OD2 3.39Å; K103-D107 PolarHBondContact NZ-OD2 3.26Å; K103-D107 PolarHBondContact O-N 3.29Å
104D80.1Confident75Confident74 Ų7483.9 Ų83.940%0.39645%0.454SS..Hα-helixtrans-68.3-35.9-169.8-61.2-28.8000111.3K100 I106 D107 T108K100-D104 VanDerWaalsContact O-CG 3.24Å; K100-D104 PolarHBondContact O-N 3.45Å; D104-I106 VanDerWaalsContact C-N 3.35Å; D104-I106 PolarHBondContact O-N 3.03Å; D104-D107 PolarHBondContact O-N 3.38Å; D104-T108 PolarHBondContact O-N 3.37Å; D104-T108 PolarHBondContact O-OG1 3.46Å; D104-T108 VanDerWaalsContact O-OG1 3.07Å
105G73.3Confident72.8Confident38 Ų3888 Ų8839%0.39247%0.474SS..Hα-helixtrans-64.7-33.2170.600000114.2L101 K103 T109L101-G105 PolarHBondContact O-N 2.89Å; K103-G105 VanDerWaalsContact C-N 3.34Å; K103-G105 PolarHBondContact O-N 3.39Å; G105-T109 WeakPolarHBondContact O-CB 3.39Å; G105-T109 PolarHBondContact O-N 3.4Å; G105-T109 VanDerWaalsContact O-N 3.11Å; G105-T109 PolarHBondContact O-OG1 3.1Å
106I69.3Low71Confident42 Ų4292.9 Ų92.922%0.21550%0.498CS..Hα-helixtrans-72-41.1174.6-74168.1000111P46 K47 P49 E102 K103 D104 T109 S110P46-I106 HydrophobicContact CB-CG2 4.22Å; K47-I106 WeakPolarHBondContact O-CD1 3.31Å; P49-I106 HydrophobicContact CB-CD1 4Å; P49-I106 HydrophobicContact CG-CD1 4.5Å; E102-I106 HydrophobicContact CG-CD1 4.29Å; E102-I106 WeakPolarHBondContact O-CD1 3.5Å; E102-I106 VanDerWaalsContact O-CG1 3.28Å; E102-I106 WeakPolarHBondContact O-CG1 3.22Å; E102-I106 PolarHBondContact O-N 2.9Å; K103-I106 WeakPolarHBondContact O-CB 3.44Å; K103-I106 PolarHBondContact O-N 3.29Å; D104-I106 VanDerWaalsContact C-N 3.35Å; D104-I106 PolarHBondContact O-N 3.03Å; I106-T109 PolarHBondContact O-N 2.84Å; I106-S110 VanDerWaalsContact O-CB 3.3Å; I106-S110 WeakPolarHBondContact O-CB 3.3Å; I106-S110 PolarHBondContact O-N 3.02Å
107D59.4Low69.6Low81 Ų8195.3 Ų95.343%0.43351%0.511SS..Hα-helixtrans-64.2-44178.3-71.7-27.2000111.3K103 D104 S110 Q111K103-D107 WeakPolarHBondContact CE-OD2 3.5Å; K103-D107 IonicContact NZ-OD2 3.39Å; K103-D107 PolarHBondContact NZ-OD2 3.26Å; K103-D107 PolarHBondContact O-N 3.29Å; D104-D107 PolarHBondContact O-N 3.38Å; D107-S110 PolarHBondContact O-N 2.94Å; D107-Q111 PolarHBondContact O-N 3.09Å
108T60.6Low67.9Low101 Ų10195.9 Ų95.962%0.6252%0.524SS*.Hα-helixtrans-60-46.1173.1-55.40000111.9D104 S110 Q111 S112D104-T108 PolarHBondContact O-N 3.37Å; D104-T108 PolarHBondContact O-OG1 3.46Å; D104-T108 VanDerWaalsContact O-OG1 3.07Å; T108-S110 VanDerWaalsContact C-N 3.34Å; T108-S110 PolarHBondContact O-N 3.49Å; T108-Q111 PolarHBondContact O-N 2.79Å; T108-S112 PolarHBondContact O-N 3.42Å
109T57.3Low66.2Low97 Ų9795.1 Ų95.160%0.59555%0.545SS*.Hα-helixtrans-64-38.5178.2-580000112G105 I106 Q111 S112 S113G105-T109 WeakPolarHBondContact O-CB 3.39Å; G105-T109 PolarHBondContact O-N 3.4Å; G105-T109 VanDerWaalsContact O-N 3.11Å; G105-T109 PolarHBondContact O-OG1 3.1Å; I106-T109 PolarHBondContact O-N 2.84Å; T109-Q111 VanDerWaalsContact C-N 3.3Å; T109-Q111 PolarHBondContact O-N 3.44Å; T109-S112 PolarHBondContact O-N 3.02Å; T109-S113 PolarHBondContact O-OG 3.44Å
110S57.9Low64.6Low63 Ų63102.4 Ų102.444%0.44158%0.575SS.*Hα-helixtrans-72.1-22.1178.2-167.70000113.2I106 D107 T108 S113I106-S110 VanDerWaalsContact O-CB 3.3Å; I106-S110 WeakPolarHBondContact O-CB 3.3Å; I106-S110 PolarHBondContact O-N 3.02Å; D107-S110 PolarHBondContact O-N 2.94Å; T108-S110 VanDerWaalsContact C-N 3.34Å; T108-S110 PolarHBondContact O-N 3.49Å; S110-S113 PolarHBondContact O-OG 3.18Å
111Q50.3Low63.5Low169 Ų169106.7 Ų106.779%0.7959%0.587SS**Hα-helixtrans-76-29.9175.8-167.6174.77800112.4D107 T108 T109 S113D107-Q111 PolarHBondContact O-N 3.09Å; T108-Q111 PolarHBondContact O-N 2.79Å; T109-Q111 VanDerWaalsContact C-N 3.3Å; T109-Q111 PolarHBondContact O-N 3.44Å; Q111-S113 VanDerWaalsContact C-N 3.28Å; Q111-S113 PolarHBondContact O-N 3.22Å
112S46.3Very low62.2Low113 Ų113110 Ų11079%0.7960%0.597SS**THydrogen-bonded Turntrans-73.6-16.1176.8-164.30000113.8T108 T109T108-S112 PolarHBondContact O-N 3.42Å; T109-S112 PolarHBondContact O-N 3.02Å
113S49.4Very low61.5Low80 Ų80114.8 Ų114.856%0.55962%0.622SS**THydrogen-bonded Turntrans-114.222.2-163.947.40000116.5T109 S110 Q111T109-S113 PolarHBondContact O-OG 3.44Å; S110-S113 PolarHBondContact O-OG 3.18Å; Q111-S113 VanDerWaalsContact C-N 3.28Å; Q111-S113 PolarHBondContact O-N 3.22Å
114S53.2Low60.5Low86 Ų86117.2 Ų117.260%0.60164%0.639SS**  trans-162.3122.5154.5-171.80000115.5H116S114-H116 PolarHBondContact OG-N 2.97Å
115K49.8Very low59.4Low206 Ų206119.2 Ų119.290%0.89666%0.656SS**  trans-127.851.5147.7-73.1-171.2179.8176.50110.9L117K115-L117 PolarHBondContact O-N 2.82Å
116H58.9Low58.5Low132 Ų132129.2 Ų129.261%0.61168%0.681SS**  trans-72.391.7169-176.1-65.5000110.1S114S114-H116 PolarHBondContact OG-N 2.97Å
117L64.5Low57.7Low113 Ų113130.1 Ų130.159%0.59270%0.695SS**  trans-57.4125.7-179.2-66.5174.4000111.8K115 G119K115-L117 PolarHBondContact O-N 2.82Å; L117-G119 PolarHBondContact O-N 3.49Å; L117-G119 VanDerWaalsContact O-N 3.15Å
118P60.2Low57.5Low131 Ų131132.9 Ų132.985%0.85171%0.71SS**THydrogen-bonded Turntrans-72.9109179.529.3-33.3000110.3
119G55.8Low57.1Low75 Ų75133.6 Ų133.677%0.77372%0.718SS**THydrogen-bonded Turntrans133.6-28.9176.700000113.8L117 R121L117-G119 PolarHBondContact O-N 3.49Å; L117-G119 VanDerWaalsContact O-N 3.15Å; G119-R121 PolarHBondContact O-N 3.02Å
120F60.9Low56.9Low165 Ų165137.2 Ų137.272%0.72473%0.726SS**  trans-71.996.9175.1-105.6-87000110.9K122F120-K122 PolarHBondContact O-N 3.4Å
121R68.1Low56.7Low223 Ų223142.2 Ų142.284%0.84275%0.747SS**  trans-63.9124.5159.3-61.9-173-174.3-151.82.7107G119 I123G119-R121 PolarHBondContact O-N 3.02Å; R121-I123 VanDerWaalsContact C-N 3.25Å; R121-I123 PolarHBondContact O-N 3.14Å
122K63.3Low56.8Low185 Ų185140 Ų14080%0.80474%0.744SS**  trans-65.986.6170.9-74.1-172.1174.7-174.70109.6F120 L124F120-K122 PolarHBondContact O-N 3.4Å; K122-L124 PolarHBondContact O-N 3.31Å; K122-L124 VanDerWaalsContact O-N 3.15Å
123I69.9Low57Low149 Ų149140.2 Ų140.276%0.76474%0.743SS**  trans-66.3108161-58.7175.6000105.1R121R121-I123 VanDerWaalsContact C-N 3.25Å; R121-I123 PolarHBondContact O-N 3.14Å
124L61.9Low56.6Low139 Ų139144 Ų14473%0.72876%0.757SS**  trans-59.1134.7169.5-72.799.6000108K122 R126K122-L124 PolarHBondContact O-N 3.31Å; K122-L124 VanDerWaalsContact O-N 3.15Å; L124-R126 PolarHBondContact O-N 3.45Å
125P56.7Low56Low115 Ų115145.1 Ų145.175%0.74777%0.765SS**  trans-55.2112.2170.9-24.134.3000109.2A127P125-A127 PolarHBondContact O-N 3.04Å
126R55.3Low55.4Low248 Ų248140.4 Ų140.494%0.93676%0.764SS**SBendtrans-8211.6-179.5-67.2-166.265.41420.5113.1L124L124-R126 PolarHBondContact O-N 3.45Å
127A51.3Low54.7Low61 Ų61139.3 Ų139.350%0.50477%0.771SS.*SBendtrans-144.4139.9173.500000109.2P125 C129P125-A127 PolarHBondContact O-N 3.04Å; A127-C129 PolarHBondContact O-N 2.77Å; A127-C129 VanDerWaalsContact O-N 3.14Å
128N55.2Low53.9Low140 Ų140139.3 Ų139.375%0.74978%0.778SS**  trans-7695.3166.7-74.6-4.6000108.3F130N128-F130 HydrophobicContact CB-CD2 4.36Å; N128-F130 HydrophobicContact CB-CE2 3.91Å; N128-F130 HydrophobicContact CB-CZ 4.43Å; N128-F130 WeakPolarHBondContact O-CD2 3.31Å; N128-F130 PolarHBondContact O-N 3.1Å
129C52.5Low52.7Low115 Ų115139.4 Ų139.478%0.77777%0.772SS**  trans-73.788.7173.9-64.10000110.2A127 L131A127-C129 PolarHBondContact O-N 2.77Å; A127-C129 VanDerWaalsContact O-N 3.14Å; C129-L131 PolarHBondContact O-N 3.12Å
130F52.7Low51.7Low173 Ų173145.8 Ų145.876%0.75977%0.774SS**  trans-67.8116.6164.7-65.2-81.4000109.1N128 V132N128-F130 HydrophobicContact CB-CD2 4.36Å; N128-F130 HydrophobicContact CB-CE2 3.91Å; N128-F130 HydrophobicContact CB-CZ 4.43Å; N128-F130 WeakPolarHBondContact O-CD2 3.31Å; N128-F130 PolarHBondContact O-N 3.1Å; F130-V132 PolarHBondContact O-N 3.21Å; F130-V132 VanDerWaalsContact O-N 3.11Å
131L53.6Low50.5Low169 Ų169145.9 Ų145.989%0.88578%0.776SS**  trans-74.296.8169.2-79.1165.3000108.7C129 P133C129-L131 PolarHBondContact O-N 3.12Å; L131-P133 WeakPolarHBondContact O-CD 3.26Å
132V53.6Low49.2Very low122 Ų122139.3 Ų139.374%0.73977%0.77SS**PPolyproline II helixtrans-73.3121.9168.8-179.70000108.2F130 N134F130-V132 PolarHBondContact O-N 3.21Å; F130-V132 VanDerWaalsContact O-N 3.11Å; V132-N134 PolarHBondContact O-N 2.96Å
133P50.2Low47.7Very low118 Ų118137.6 Ų137.677%0.76677%0.774SS**PPolyproline II helixtrans-62.5126.6171.7-20.533.5000109.8L131 S135L131-P133 WeakPolarHBondContact O-CD 3.26Å; P133-S135 PolarHBondContact O-N 2.67Å
134N41.3Very low46Very low159 Ų159133.6 Ų133.685%0.8577%0.77SS**PPolyproline II helixtrans-67128.9179.2-169.517.1000110.1V132 A136V132-N134 PolarHBondContact O-N 2.96Å; N134-A136 PolarHBondContact O-N 3.03Å
135S40.6Very low44.6Very low110 Ų110132.3 Ų132.377%0.76977%0.773SS**  trans-78.6104.2-169.455.60000112.4P133P133-S135 PolarHBondContact O-N 2.67Å
136A36.9Very low43.4Very low106 Ų106134.7 Ų134.788%0.87677%0.774SS**  trans-97.2106.3162.900000109.8N134N134-A136 PolarHBondContact O-N 3.03Å
137S43.7Very low42.4Very low109 Ų109127.6 Ų127.676%0.76276%0.762SS**  trans-153.5135.2172-169.40000106.8
138P49.4Very low41.6Very low114 Ų114132 Ų13274%0.7477%0.773SS**  -145159.988.438.4-23.1000116
139N35.1Very low40.5Very low133 Ų133131.8 Ų131.871%0.71178%0.776SS**  trans63.7133.5165-89.7-51.6000117
140Y34.2Very low39.4Very low209 Ų209131 Ų13182%0.8277%0.77SS**  -147.4141.954.7-108.2-95.2000114.3
141Q35.8Very low38.6Very low166 Ų166130.1 Ų130.178%0.77677%0.772SS**  trans57.9142.4161-72.1-69.712.400120.3
142A40.4Very low37.9Very low85 Ų85129.2 Ų129.270%0.70276%0.763SS**  trans-119.2152.8170.500000109.9
143V30.9Very low36.9Very low149 Ų149129.2 Ų129.290%0.90377%0.769SS**  trans-153.3138.7145144.10000105.7
144G34.2Very low36.3Very low65 Ų65130.3 Ų130.367%0.6777%0.767SS**  trans-134.7145.6169.100000110.3
145S33.1Very low35.9Very low113 Ų113128.4 Ų128.479%0.7976%0.757SS**  trans-171.1134.3163.9-87.40000113.2
146Q32.1Very low35.3Very low164 Ų164132.7 Ų132.777%0.76676%0.762SS**  trans74.2146.1134.8-70.8-73.526.800123.6
147S33.3Very low35.2Very low99 Ų99132.4 Ų132.469%0.69275%0.754SS**  trans68.7144.4154.7-136.80000118.7
148E35.1Very low34.8Very low154 Ų154132 Ų13272%0.7276%0.757SS**  cis178.5176.8-41.6-102.6163.6140.900107.7
149V31.2Very low34.3Very low135 Ų135136.1 Ų136.182%0.81877%0.766SS**  trans74.3128.9168.7-174.10000116.7
150C30Very low34.2Very low98 Ų98133.3 Ų133.366%0.66277%0.768SS**  cis-158.9137.2-19.9-111.90000112.3
151I35.3Very low34.1Very low155 Ų155129.5 Ų129.580%0.79577%0.772SS**  43.692.2126.6-51.9178.7000119.1
152E39.7Very low34.3Very low150 Ų150129.1 Ų129.170%0.70178%0.775SS**  23.4142.5114.3-162.7175.213500122.6I154E152-I154 HydrophobicContact CG-CD1 4.06Å; E152-I154 HydrophobicContact CG-CG1 4.21Å
153S32.8Very low33.9Very low123 Ų123131.3 Ų131.386%0.8678%0.783SS**  trans-157.1143.4143.1-83.90000112.9
154I36.8Very low34.2Very low141 Ų141130.2 Ų130.272%0.72378%0.782SS**  trans-151.4145.6-164.5-71.2177.8000106.9E152E152-I154 HydrophobicContact CG-CD1 4.06Å; E152-I154 HydrophobicContact CG-CG1 4.21Å
155D34.2Very low34.2Very low118 Ų118134.1 Ų134.163%0.63179%0.793SS**  cis-136.9-169.91.7-177.533.9000108.8S157D155-S157 PolarHBondContact OD2-N 3.1Å
156F27.3Very low34.1Very low200 Ų200133 Ų13388%0.87779%0.79SS**  -171.3140109.7-113.3-79.2000114.7
157S35.5Very low34.1Very low101 Ų101133.8 Ų133.871%0.70680%0.799SS**  trans-93.3137.9174.4178.70000113.7D155D155-S157 PolarHBondContact OD2-N 3.1Å
158A34.7Very low34.1Very low100 Ų100140.5 Ų140.583%0.82681%0.809SS**  trans-158.3159.1159.800000112
159E38.2Very low33.9Very low201 Ų201139.7 Ų139.794%0.93981%0.814SS**  trans-83.3156.6-167.3-49-175.3143.500115.1
160G32.3Very low34Very low73 Ų73139 Ų13975%0.75381%0.813SS**  trans125.4143.713400000120
161S32.3Very low33.9Very low129 Ų129143.6 Ų143.690%0.90282%0.821SS**  trans76.7165.5157.2-148.60000119.8
162L41.7Very low33.7Very low159 Ų159141 Ų14183%0.83282%0.817SS**  trans-108.9147.4-166.2-60.5165.8000111.8
163C31.6Very low33.2Very low131 Ų131143.7 Ų143.789%0.88583%0.826SS**  trans-158.6139.8142.5-105.20000112.5
164S36.6Very low33.1Very low125 Ų125144.6 Ų144.687%0.87483%0.826SS**PPolyproline II helixtrans-98.9131.7171.1-60.50000109.9
165V33.2Very low32.9Very low148 Ų148141.8 Ų141.890%0.89782%0.824SS**PPolyproline II helixtrans-96.2126.4171.8178.10000109.6
166A31Very low33.1Very low88 Ų88142.5 Ų142.573%0.72784%0.835SS**PPolyproline II helixtrans-92.4136.2-175.600000112.7
167L32.8Very low33.3Very low181 Ų181139.8 Ų139.895%0.94883%0.834SS**PPolyproline II helixtrans-90.3128164.6-78.9164.3000109.8
168R32.7Very low33Very low241 Ų241143.7 Ų143.791%0.90984%0.842SS**PPolyproline II helixtrans-97.7142.8177.2-69.9-174.9-177.9157.80.9111.6
169V32.2Very low32.8Very low136 Ų136147.1 Ų147.182%0.82485%0.845SS**PPolyproline II helixtrans-78.8137.4172.1178.40000110
170P33Very low32.4Very low122 Ų122141.9 Ų141.979%0.79284%0.836SS**PPolyproline II helixtrans-75.6138.8171.131-33.7000111.4
171K28.5Very low32.5Very low193 Ų193143.2 Ų143.284%0.83984%0.84SS**  trans-120.1144.9172.7-173.2174.5172.769.10110.3
172S30.3Very low32.9Very low100 Ų100145.8 Ų145.870%0.69984%0.838SS**  trans-60153.2-179.748.60000114.1
173K30.3Very low32.5Very low208 Ų208145.5 Ų145.590%0.90484%0.842SS**  trans-126.3141.1159.3-73.1-171.5174.5-173.50109
174V30.6Very low32.7Very low142 Ų142147.3 Ų147.386%0.86184%0.837SS**  trans-131.4145.3168.7178.90000106.3
175A32.5Very low32.3Very low82 Ų82148.7 Ų148.768%0.67883%0.833SS**  trans-98156.4-178.200000111.5
176P38.4Very low32.3Very low132 Ų132147 Ų14786%0.85783%0.828SS**  trans-75.1167.5178.332.5-36.1000112.9
177V31.6Very low32.6Very low143 Ų143150.3 Ų150.387%0.86783%0.829SS**  trans-110.3146.5-176.9171.60000110.3
178E29.2Very low32.8Very low184 Ų184147.6 Ų147.686%0.8682%0.822SS**  trans-135.8120.4162.7-179.3-178.7-161.200109.7
179L29.2Very low33.1Very low172 Ų172140.3 Ų140.390%0.90181%0.806SS**  trans-176.2147.3142.5-107.7160.3000109.4
180A30.2Very low32.8Very low90 Ų90139.7 Ų139.774%0.74480%0.803SS**  trans-100.2151.7-171.600000113.2
181A34.6Very low32.8Very low101 Ų101140.3 Ų140.384%0.83580%0.804SS**  trans-152.9112.4158.400000109.2
182E40.2Very low33.6Very low184 Ų184136.5 Ų136.586%0.8680%0.799SS**  trans-73.3141.9167.6-60.2-74.9123.400109.8
183V34.3Very low33.4Very low152 Ų152136.3 Ų136.392%0.92180%0.797SS**  trans-172.9153.4138.1137.70000110.3
184E35.5Very low33.3Very low169 Ų169132.8 Ų132.879%0.7979%0.789SS**  trans-94.6-179.5-159.4-162.5-171.511500114.3
185I29.1Very low33.3Very low154 Ų154131.9 Ų131.979%0.7978%0.783SS**  trans81.2127.3163.2-51.1164.5000115.6
186S31.8Very low33.4Very low112 Ų112132.1 Ų132.178%0.78379%0.785SS**  cis-163.1165.6-21.7-1660000109.9
187E38.4Very low33.2Very low158 Ų158134.2 Ų134.274%0.73878%0.784SS**  trans-72.5157.9176.4-119.1-176132.100113.1P189E187-P189 WeakPolarHBondContact OE1-CD 3.44Å; E187-P189 WeakPolarHBondContact OE1-CG 3.12Å
188P35.9Very low33.3Very low124 Ų124135.4 Ų135.481%0.80578%0.78SS**  -152.7155.693.839.8-23000117.3
189P39.1Very low33.4Very low89 Ų89132.1 Ų132.158%0.57877%0.772SS**  trans-137.3171.4161.342.3-28.4000115.4E187E187-P189 WeakPolarHBondContact OE1-CD 3.44Å; E187-P189 WeakPolarHBondContact OE1-CG 3.12Å
190T26.6Very low33.4Very low123 Ų123129.8 Ų129.876%0.75577%0.765SS**  trans8786.7147-53.90000121.9
191V31.7Very low33.4Very low134 Ų134131.7 Ų131.781%0.81277%0.767SS**  trans66.8-164.1133.1-137.60000118.4
192P45.6Very low33.2Very low113 Ų113132 Ų13273%0.73476%0.763SS**  -130-174.8-118.545.3-27.9000118.9
193S27.8Very low32.7Very low96 Ų96128.5 Ų128.567%0.67176%0.759SS**  trans120.8134.7132.4-1260000118.2
194D28.2Very low33.3Very low135 Ų135126.2 Ų126.272%0.72275%0.747SS**  trans62.4158.7153.5-68.8-70.3000119.7
195T30Very low33.1Very low122 Ų122125.2 Ų125.275%0.74874%0.743SS**  cis-149.1149.38.9-18.40000112.2
196A33.8Very low33Very low87 Ų87127.6 Ų127.672%0.71974%0.742SS**  trans61.7168.2148.300000119.3
197E35.5Very low32.8Very low176 Ų176128.2 Ų128.282%0.82274%0.741SS**  cis-132.7149.96.5-71.5-178.8136.500112.6
198E33Very low32.4Very low168 Ų168125.7 Ų125.779%0.78574%0.741SS**  trans42.1144.5144.6-53.9-82.984.900120.5
199T31.8Very low32.8Very low115 Ų115125.3 Ų125.371%0.70674%0.738SS**  cis-169.4139.946.9-35.70000112.2
200V29.3Very low32Very low124 Ų124131.8 Ų131.875%0.75275%0.751SS**  trans61.893.3149.6166.10000121.6
201V29.5Very low31.9Very low129 Ų129130 Ų13078%0.78274%0.744SS**  78.1145.4114.1105.90000124.6
202S30.1Very low31.8Very low107 Ų107127.9 Ų127.975%0.74874%0.735SS**  trans74.5105155.7-68.10000122.3
203S29.2Very low31.1Very low112 Ų112126.4 Ų126.478%0.78373%0.728SS**  trans-73.6179.4148.9-138.10000110.6
204P48.1Very low31.3Very low103 Ų103130.6 Ų130.667%0.66973%0.733SS**  cis-144.9-170.49.343.3-22.8000117.7
205Q29.9Very low31.3Very low149 Ų149129.5 Ų129.570%0.69673%0.732SS**  trans86.1107.3151.6-77.4-162.372.800122.3
206R27.9Very low31.2Very low204 Ų204130.6 Ų130.677%0.7773%0.732SS**  81.5152114.5-159.5-163.6-86.3-100.34.4118.9
207T28.6Very low30.8Very low124 Ų124133.1 Ų133.176%0.76174%0.739SS**  trans79.5108.1156.315.80000119.3
208S28.9Very low30.5Very low106 Ų106129.3 Ų129.374%0.74173%0.732SS**  trans-50.1172.6138.5-28.20000111.6
209P43.7Very low30.5Very low116 Ų116127.8 Ų127.875%0.75373%0.734SS**  cis-151.8-1742246.2-26.1000118.1
210W23.7Very low30.3Very low225 Ų225128.9 Ų128.985%0.85274%0.736SS**  trans69.1142137.3-164.1-110.9000121.5
211S24.5Very low30.5Very low85 Ų85128.5 Ų128.559%0.59473%0.734SS**  trans67.2154.6165.5-92.10000119
212S29Very low30.6Very low90 Ų90131.1 Ų131.163%0.62974%0.737SS**  cis173.8154.8-27.7-100.70000108.2
213S31Very low30.4Very low82 Ų82129 Ų12957%0.57373%0.733SS**  trans68.3122.5146.1-78.30000120.7
214K32.5Very low30.6Very low183 Ų183129 Ų12980%0.79673%0.733SS**  trans76.3149132.9-60.2167.8-163168.30116.2
215T26.6Very low29.7Very low112 Ų112133.6 Ų133.669%0.68775%0.745SS**  cis-166.6165.6-1.611.10000112
216L28.6Very low29.6Very low145 Ų145130 Ų13076%0.75975%0.748SS**  trans61121.6144.9-70.2161.3000120.8
217T26Very low29.5Very low140 Ų140125.4 Ų125.486%0.85975%0.747SS**  174.9140110.935.40000108.4
218S29.5Very low29.5Very low97 Ų97125.8 Ų125.868%0.67875%0.749SS**  cis110.183.77.3-168.50000115.8
219T31.3Very low29.6Very low135 Ų135127.7 Ų127.783%0.82875%0.751SS**  trans-161.2134.9150.5150000106.6
220D29.3Very low29.2Very low138 Ų138129.3 Ų129.374%0.73875%0.748SS**  cis68.9135.744.5-100.6120.8000113.8
221V32.9Very low29.7Very low117 Ų117126.3 Ų126.371%0.70975%0.746SS**  cis-141175.414.9-159.60000111.2
222Q31.9Very low30.2Very low184 Ų184129.1 Ų129.186%0.8675%0.753SS**  trans107.2137.5142.5-141.893.927.500119.4
223G26.5Very low30.3Very low63 Ų63132 Ų13265%0.64976%0.762SS**  trans-168.9166.1166.600000112.1
224S32.5Very low30.1Very low112 Ų112135 Ų13578%0.78377%0.771SS**  trans-175.2140.7168.9-84.20000112.6
225Q29.3Very low30Very low198 Ų198132 Ų13293%0.92577%0.768SS**  trans54.5145.5152.8-61171.8-24.100119.4
226G26.7Very low30Very low73 Ų73131.9 Ų131.975%0.75377%0.772SS**  cis142.9148.1-7.400000113.4
227S27.3Very low30.6Very low108 Ų108133.3 Ų133.376%0.75578%0.779SS**  trans90.7134.1163.2-147.70000120.2
228V28.3Very low30.7Very low132 Ų132133.7 Ų133.780%0.878%0.776SS**  trans53.3165157.1-64.60000122.7
229D31.7Very low30.7Very low147 Ų147135 Ų13579%0.78678%0.78SS**  -173.9166.1-56.2-138.2-49.2000110.6
230E34.6Very low30.7Very low149 Ų149137.9 Ų137.970%0.69678%0.781SS**  trans72157.7151.3-118.4-167.884.500125.3
231M32.8Very low30.7Very low162 Ų162135.9 Ų135.980%0.79878%0.784SS**  trans70.6126.8173.6-64.3-172.8-72.900119.3
232L35.6Very low30.6Very low144 Ų144136.4 Ų136.475%0.75479%0.792SS**  cis120.91601.4-71.6175.3000115
233N30.9Very low30.4Very low151 Ų151130.8 Ų130.881%0.80778%0.784SS**  trans79.2119.7-173.9-51.5-20.5000113.3
234D28.2Very low30.8Very low145 Ų145134.4 Ų134.478%0.77579%0.793SS**  cis70.7125.628.9-160-95.2000115.8
235V29.2Very low30.8Very low121 Ų121133.3 Ų133.373%0.73379%0.791SS**  trans172.1119.1132.6151.30000112.7
236S27.2Very low30.8Very low109 Ų109130.3 Ų130.376%0.76279%0.786SS**  trans57.4148.7145.3-63.60000125.2
237L40.3Very low31.2Very low175 Ų175135.4 Ų135.492%0.91679%0.79SS**  trans-99.9156.5172.3-60.8158.5000111.7
238N28.8Very low31.5Very low147 Ų147138.7 Ų138.779%0.78680%0.796SS**  trans-148.192.9167.952.44.5000117
239T28.7Very low32Very low125 Ų125141.4 Ų141.477%0.76780%0.802SS**  trans49.1118.6136.249.90000124.1
240K32Very low32.3Very low196 Ų196142.7 Ų142.785%0.85280%0.803SS**  80.8107.2125-74.1-176.7173.2178.90123.1
241A30.1Very low32.5Very low95 Ų95147.2 Ų147.279%0.78581%0.814SS**  101.7145.310400000122.4
242S29.9Very low32.8Very low128 Ų128147.6 Ų147.690%0.89581%0.814SS**  trans74135.4170-142.20000118.1
243G28.9Very low33Very low66 Ų66145 Ų14568%0.6881%0.813SS**  cis153.998.5-12.500000116.4
244V33Very low33.5Very low139 Ų139144.7 Ų144.784%0.84282%0.817SS**  trans-150.7116165.7-163.10000105.5
245A32.3Very low34.5Very low90 Ų90145.9 Ų145.974%0.74482%0.818SS**  51.7139.58200000113.2
246V30.8Very low34.9Very low135 Ų135148.3 Ų148.382%0.81882%0.823SS**  cis-131.11688.7-160.50000105.4
247Q35.6Very low35.7Very low180 Ų180148.9 Ų148.984%0.84182%0.822SS**  cis-156.7-158.131.1-163.4164.9-3.300110
248M32.8Very low35.4Very low176 Ų176145.4 Ų145.487%0.86781%0.808SS**  trans-136.8159.5172.1-65.6-178.9176.600110.9
249M37.7Very low36.4Very low190 Ų190145.6 Ų145.694%0.93681%0.807SS**  trans-140.7143.5152.8-162.971.3130.300108
250Q38.2Very low37Very low174 Ų174144.9 Ų144.981%0.81380%0.803SS**  trans-78.7148.8-167-72.3170.6-31.300113.9
251R39.8Very low37.4Very low243 Ų243141.3 Ų141.392%0.91780%0.799SS**  trans-100.6104.6163.5174.4-166.4-77.8172.9-6.2108
252E38.6Very low37.9Very low170 Ų170141.8 Ų141.879%0.79480%0.797SS**  trans-94.5140.1165-67.4-164.2117.100110.5
253A40.6Very low38.4Very low89 Ų89144 Ų14474%0.73679%0.793SS**  trans-112.388-174.500000110.5Q255A253-Q255 PolarHBondContact O-N 3.07Å
254T40.1Very low38.7Very low146 Ų146145.7 Ų145.790%0.89680%0.795SS**  trans-68.6121.3175.8-35.50000109.9
255Q49.8Very low38.7Very low169 Ų169147.1 Ų147.179%0.7979%0.792SS**  trans-78134.3-166.6-61.617212.400112.3A253 V257A253-Q255 PolarHBondContact O-N 3.07Å; Q255-V257 PolarHBondContact O-N 3.39Å
256M37.2Very low38.7Very low173 Ų173150.6 Ų150.685%0.85280%0.798SS**  trans-73.8110170176.1-176-77.600109.7
257V45.2Very low38.9Very low120 Ų120152 Ų15273%0.72780%0.795SS**  trans-95.599.6170.9-178.80000109.5Q255 I259Q255-V257 PolarHBondContact O-N 3.39Å; V257-I259 PolarHBondContact O-N 3.47Å
258T34.5Very low39.1Very low102 Ų102148.6 Ų148.663%0.62679%0.789SS**  trans-76105.5176-52.30000110.4V260T258-V260 HydrophobicContact CG2-CG2 4.34Å; T258-V260 PolarHBondContact O-N 3.11Å
259I48.3Very low39.2Very low151 Ų151148 Ų14877%0.77478%0.784SS**  trans-74.798172-58.2178.8000108.7V257 P261V257-I259 PolarHBondContact O-N 3.47Å; I259-P261 WeakPolarHBondContact O-CD 3.44Å
260V42.3Very low39.5Very low110 Ų110143.7 Ų143.767%0.66777%0.77SS**  trans-74.8124.6173.7178.10000109.6T258 S262T258-V260 HydrophobicContact CG2-CG2 4.34Å; T258-V260 PolarHBondContact O-N 3.11Å; V260-S262 PolarHBondContact O-N 2.87Å
261P39.8Very low39.4Very low121 Ų121143.8 Ų143.879%0.78678%0.775SS**  trans-72.597.8173.4-14.930.4000110.4I259 Q263I259-P261 WeakPolarHBondContact O-CD 3.44Å; P261-Q263 PolarHBondContact O-N 2.8Å
262S40.2Very low39.2Very low105 Ų105137.6 Ų137.673%0.73478%0.776SS**  trans-68.4117.8175.855.40000111V260 S264V260-S262 PolarHBondContact O-N 2.87Å; S262-S264 PolarHBondContact O-N 2.76Å
263Q40.6Very low39Very low174 Ų174132.7 Ų132.781%0.81377%0.771SS**  trans-65.6123.5164.1-71.1-173.42900109.7P261P261-Q263 PolarHBondContact O-N 2.8Å
264S36.5Very low39Very low102 Ų102136.8 Ų136.871%0.71378%0.779SS**  trans-108102161.957.50000109.1S262S262-S264 PolarHBondContact O-N 2.76Å
265Q31.4Very low38.9Very low169 Ų169134.8 Ų134.879%0.7977%0.771SS**  trans-69.8134166.9-62-179.210.300108.8
266L33.3Very low38.6Very low164 Ų164131.9 Ų131.986%0.85977%0.769SS**  trans-141.291.5170.9-76.3-179.1000111.7
267E34.6Very low39.3Very low163 Ų163131.1 Ų131.176%0.76277%0.768SS**  trans-157.2148.6150.2-106.2-72.492.700103.2Q269E267-Q269 PolarHBondContact OE1-N 3.32Å
268P39.7Very low39.7Very low109 Ų109133.2 Ų133.271%0.70877%0.77SS**  cis-140.8172.840.542-24.1000118
269Q36Very low40.8Very low165 Ų165134.2 Ų134.277%0.77178%0.778SS**  trans124.3147.3133.5-81.5-115.3-61.700117.9E267E267-Q269 PolarHBondContact OE1-N 3.32Å
270P42.8Very low41.1Very low99 Ų99133.4 Ų133.464%0.64378%0.78SS**  trans-106.2167.1-157.141-35.1000114.7
271L35.8Very low41.8Very low176 Ų176135.8 Ų135.892%0.92179%0.785SS**  trans-115.7142157.3-72.8173.3000110.2
272A35.3Very low42.5Very low112 Ų112138.4 Ų138.493%0.92679%0.789SS**  trans-79.7143.7-172.800000112.8
273G34.4Very low43Very low68 Ų68139.8 Ų139.870%0.70179%0.787SS**  trans-161.659.8-172.900000114.9
274I40.5Very low43.2Very low175 Ų175136.9 Ų136.990%0.89779%0.786SS**  trans16.6101.715646.7157000119.5
275S38.1Very low43.8Very low104 Ų104138.4 Ų138.473%0.72779%0.79SS**  -175.4124.3121.7-170.80000111.8L277S275-L277 PolarHBondContact O-N 3.37Å
276S43.8Very low44.4Very low108 Ų108133.3 Ų133.376%0.75578%0.783SS**  trans-91.982.9178.8171.20000111.6
277L53.2Low44.9Very low157 Ų157130.6 Ų130.682%0.82278%0.784SS**  trans-86.9109167.3-64-178.3000110.1S275S275-L277 PolarHBondContact O-N 3.37Å
278Q53.4Low45.5Very low164 Ų164132.5 Ų132.577%0.76679%0.79SS**  trans-71.7146.8176.2-69.5-166.7-13.400111.8V280Q278-V280 PolarHBondContact O-N 3.3Å; Q278-V280 VanDerWaalsContact O-N 3.15Å
279P56.5Low45.8Very low122 Ų122133.1 Ų133.179%0.79280%0.797SS**  trans-69.6109.8175.128.5-33.8000110.9M281P279-M281 PolarHBondContact O-N 3.35Å
280V54.3Low46.1Very low135 Ų135131.4 Ų131.482%0.81879%0.793SS**  trans-69.2116.1176.91770000110.4Q278Q278-V280 PolarHBondContact O-N 3.3Å; Q278-V280 VanDerWaalsContact O-N 3.15Å
281M58Low46.4Very low159 Ų159134.2 Ų134.278%0.78380%0.798SS**  trans-84114.5174-68-121.6-69.200111.1P279 I283P279-M281 PolarHBondContact O-N 3.35Å; M281-I283 PolarHBondContact O-N 3.03Å
282M53.7Low46.9Very low176 Ų176132.8 Ų132.887%0.86779%0.79SS**  trans-74.5104.1172.7-90.2-89.9-81.400110.9
283I51Low47.7Very low135 Ų135133 Ų13369%0.69278%0.782SS**  trans-100108174.2-59175.9000109.2M281 V285M281-I283 PolarHBondContact O-N 3.03Å; I283-V285 PolarHBondContact O-N 3.27Å; I283-V285 VanDerWaalsContact O-N 3.1Å
284S44.7Very low48Very low112 Ų112138.4 Ų138.478%0.78379%0.786SS**  trans-75.195.9174.2-57.40000111G286S284-G286 PolarHBondContact O-N 3.32Å
285V50.1Low48.2Very low134 Ų134136.2 Ų136.281%0.81278%0.783SS**  trans-67.8113.2172.4-179.40000109.3I283I283-V285 PolarHBondContact O-N 3.27Å; I283-V285 VanDerWaalsContact O-N 3.1Å
286G43Very low48.5Very low62 Ų62136.3 Ų136.364%0.63978%0.783SS**PPolyproline II helixtrans-70.5130.2-179.200000112.9S284S284-G286 PolarHBondContact O-N 3.32Å
287A44.1Very low48.9Very low107 Ų107140.5 Ų140.588%0.88478%0.784SS**PPolyproline II helixtrans-66.3136.116600000110.1
288K47.6Very low48.2Very low204 Ų204141.3 Ų141.389%0.88778%0.781SS**PPolyproline II helixtrans-85.4140.1-174.7-53.2177.4-173.2178.70110.6
289S46.2Very low47.9Very low122 Ų122140 Ų14085%0.85378%0.777SS**  trans-154.4126.1163.6-171.30000109.1
290D42.6Very low47.2Very low129 Ų129139.1 Ų139.169%0.6977%0.773SS**  trans-88.8122.9-170.6-99.3-77.7000113
291Q49.1Very low46.7Very low157 Ų157136.6 Ų136.673%0.73476%0.758SS**  trans42125.7139.2-60-176.578.800121
292I45.2Very low46Very low147 Ų147137 Ų13775%0.75476%0.755SS**  -144.6127.5120-96.3149.9000107.5K294I292-K294 PolarHBondContact O-N 3.25Å
293P52.1Low45.6Very low116 Ų116133.5 Ų133.575%0.75374%0.744SS**  trans-79.4109.5-177.330.3-33.6000111.9
294K41.5Very low45.5Very low182 Ų182136.4 Ų136.479%0.79175%0.747SS**  trans-99.8121162.7-71.5-179179.7174.70109.2I292 S296I292-K294 PolarHBondContact O-N 3.25Å; K294-S296 PolarHBondContact O-N 3.26Å
295P44.6Very low45.5Very low128 Ų128135.3 Ų135.383%0.83174%0.736SS**  trans-67.5101.6177.327.1-33.1000109.6Y297P295-Y297 PolarHBondContact O-N 3.3Å
296S42.8Very low45.2Very low106 Ų106138.1 Ų138.174%0.74173%0.732SS**  trans-75.273.5-178.3-1680000111K294 K298K294-S296 PolarHBondContact O-N 3.26Å; S296-K298 PolarHBondContact O-N 3.07Å
297Y52.9Low45.9Very low196 Ų196145.9 Ų145.977%0.76974%0.742SS**  trans-69.479.2166.8-179.7-104.8000109.7P295 M299P295-Y297 PolarHBondContact O-N 3.3Å; Y297-M299 HydrophobicContact CD2-CG 4.49Å; Y297-M299 HydrophobicContact CE2-CB 4.24Å; Y297-M299 HydrophobicContact CE2-CG 3.88Å
298K39.3Very low46.8Very low175 Ų175141.5 Ų141.576%0.76171%0.707SS**  trans-125.276.3160.5-73.7-168.8177.1-179.80108.4S296 S300S296-K298 PolarHBondContact O-N 3.07Å; K298-S300 PolarHBondContact O-N 3.17Å
299M45.5Very low48Very low137 Ų137139.5 Ų139.568%0.67569%0.694SS**  trans-58.387.1158.5-85.4-135.483.600108.8Y297 V301Y297-M299 HydrophobicContact CD2-CG 4.49Å; Y297-M299 HydrophobicContact CE2-CB 4.24Å; Y297-M299 HydrophobicContact CE2-CG 3.88Å; M299-V301 HydrophobicContact CB-CG2 4.34Å; M299-V301 HydrophobicContact CE-CG2 3.72Å; M299-V301 PolarHBondContact O-N 3.41Å; M299-V301 HydrophobicContact SD-CG2 4.42Å
300S43.8Very low49.8Very low102 Ų102134.4 Ų134.471%0.71366%0.66SS**  trans-7849.4-179.753.30000111.2K298 K302K298-S300 PolarHBondContact O-N 3.17Å; S300-K302 VanDerWaalsContact C-N 3.26Å; S300-K302 PolarHBondContact O-N 3.35Å
301V42.3Very low51.9Low83 Ų83136.1 Ų136.150%0.50366%0.657SS.*  trans-65.190.5172.6-177.60000107.8M299 T303M299-V301 HydrophobicContact CB-CG2 4.34Å; M299-V301 HydrophobicContact CE-CG2 3.72Å; M299-V301 PolarHBondContact O-N 3.41Å; M299-V301 HydrophobicContact SD-CG2 4.42Å; V301-T303 HydrophobicContact CG1-CG2 4.07Å; V301-T303 PolarHBondContact O-N 3.38Å
302K44.4Very low53.9Low168 Ų168129.2 Ų129.273%0.7363%0.626SS**  trans-62.185.4166.5-71.5174.2178.7172.70107.8S300 Y304S300-K302 VanDerWaalsContact C-N 3.26Å; S300-K302 PolarHBondContact O-N 3.35Å; K302-Y304 CarbonylContact O-C 3.6Å; K302-Y304 PolarHBondContact O-N 3.46Å
303T45.7Very low55.8Low101 Ų101127.8 Ų127.862%0.6262%0.62SS**  trans-59.5-14.6174.949.90000112.3V301 T305V301-T303 HydrophobicContact CG1-CG2 4.07Å; V301-T303 PolarHBondContact O-N 3.38Å; T303-T305 PolarHBondContact O-N 2.94Å
304Y47.7Very low57.4Low197 Ų197125.8 Ų125.877%0.77360%0.603SS**  trans-68.374160.1-162.4-91.8000112.1K302K302-Y304 CarbonylContact O-C 3.6Å; K302-Y304 PolarHBondContact O-N 3.46Å
305T45Very low59.6Low88 Ų88123.3 Ų123.354%0.5461%0.605SS.*  trans-119.6135.8157.871.30000110.4T303 R307T303-T305 PolarHBondContact O-N 2.94Å; T305-R307 PolarHBondContact O-N 3.06Å
306R43.7Very low61.6Low193 Ų193121.6 Ų121.673%0.72861%0.61SS**THydrogen-bonded Turntrans-73.213.1-169.6-65.8-178.867.6-122.24.3114.6R324R306-R324 PolarHBondContact O-NH2 3.32Å
307R57.7Low63.8Low225 Ų225117.6 Ų117.685%0.84958%0.582SS**THydrogen-bonded Turntrans-85.8-9.4-172.7-62.4-167.9-176.6-134.52.4114.8T305 R309T305-R307 PolarHBondContact O-N 3.06Å; R307-R309 VanDerWaalsContact C-N 3.25Å; R307-R309 PolarHBondContact O-N 3.01Å
308G62.4Low65.6Low15 Ų15112.9 Ų112.916%0.15558%0.578CS.*SBendtrans68.819.9169.700000115.1V322 T323G308-V322 CarbonylContact O-C 3.52Å; G308-V322 VanDerWaalsContact O-C 3.24Å; G308-T323 CarbonylContact O-C 3.46Å; G308-T323 VanDerWaalsContact O-C 3.22Å; G308-T323 PolarHBondContact O-N 3.35Å
309R72.6Confident67.9Low163 Ų163106.4 Ų106.462%0.61555%0.55SS*.  trans-125.6140.6164.7-59.1-170.7179.9-123.43.7107.8R307 V320 Y321R307-R309 VanDerWaalsContact C-N 3.25Å; R307-R309 PolarHBondContact O-N 3.01Å; R309-V320 HydrophobicContact CB-CG1 4.06Å; R309-Y321 VanDerWaalsContact CA-O 3.26Å; R309-Y321 WeakPolarHBondContact CA-O 3.29Å
310G84.6Confident69.9Low14 Ų14102.1 Ų102.114%0.14453%0.531CS..EExtended strand (participates in β ladder)trans-142154.1175.700000111V320 Y321G310-V320 CarbonylContact O-C 3.22Å; G310-V320 VanDerWaalsContact O-CA 3.29Å; G310-V320 WeakPolarHBondContact O-CA 3.3Å; G310-V320 WeakPolarHBondContact O-CG1 3.5Å; G310-Y321 VanDerWaalsContact C-CE1 3.41Å; G310-Y321 PolarHBondContact N-O 3.23Å; G310-Y321 VanDerWaalsContact N-O 3.09Å; G310-Y321 WeakPolarHBondContact O-CD1 3.47Å; G310-Y321 WeakPolarHBondContact O-CE1 3.46Å; G310-Y321 PolarHBondContact O-N 3.46Å
311R87.5Confident71.8Confident166 Ų16698.5 Ų98.563%0.62650%0.502SS*.EExtended strand (participates in β ladder)trans-97.6164.7-176.8-60.1-163.7177.3-98.76112.2S318 F319 V320R311-S318 PolarHBondContact NH1-O 3.07Å; R311-F319 CarbonylContact C-O 3.48Å; R311-F319 VanDerWaalsContact CA-O 3.25Å; R311-F319 WeakPolarHBondContact CA-O 3.37Å; R311-V320 HydrophobicContact CG-CG1 4.48Å; R311-V320 HydrophobicContact CG-CG2 4.16Å
312C89.5Confident73.5Confident12 Ų1298.7 Ų98.78%0.08150%0.503CS..  trans-59.9161.6160.6-164.50000111.4N314 C317 F319 S335C312-N314 PolarHBondContact SG-N 3.4Å; C312-C317 HydrophobicContact CB-CB 3.92Å; C312-C317 VanDerWaalsContact CB-SG 3.55Å; C312-C317 VanDerWaalsContact SG-SG 3.65Å; C312-F319 HydrophobicContact CB-CB 4.18Å; C312-F319 PolarHBondContact N-O 3.03Å; C312-S335 PolarHBondContact SG-OG 3.47Å
313L85.9Confident74.8Confident117 Ų11792.5 Ų92.561%0.61348%0.48SS*.  trans-110.7-8.3175.5-63179.4000113.3
314N85.7Confident76Confident74 Ų7494.9 Ų94.940%0.39648%0.477SS..SBendtrans-70.8132174.6-8726.2000110.5C312 G316 C317 S335C312-N314 PolarHBondContact SG-N 3.4Å; N314-G316 PolarHBondContact O-N 3.34Å; N314-C317 HydrophobicContact CB-CB 4.06Å; N314-C317 PolarHBondContact O-N 3.15Å; N314-C317 VanDerWaalsContact O-N 3.11Å; N314-S335 WeakPolarHBondContact OD1-CB 2.93Å
315P86.9Confident77.5Confident129 Ų12991.2 Ų91.284%0.83847%0.467SS*.THydrogen-bonded Turntrans-57.9137.916627.1-33.4000109.3
316G87.4Confident79.4Confident92 Ų9289.9 Ų89.995%0.94845%0.454SS*.THydrogen-bonded Turntrans85.9-13.3-173.700000115.8N314N314-G316 PolarHBondContact O-N 3.34Å
317C90.1Very high81.4Confident22 Ų2281 Ų8115%0.14942%0.421CS..  trans-99.8115.6179-174.50000113.2C312 N314 C333C312-C317 HydrophobicContact CB-CB 3.92Å; C312-C317 VanDerWaalsContact CB-SG 3.55Å; C312-C317 VanDerWaalsContact SG-SG 3.65Å; N314-C317 HydrophobicContact CB-CB 4.06Å; N314-C317 PolarHBondContact O-N 3.15Å; N314-C317 VanDerWaalsContact O-N 3.11Å; C317-C333 HydrophobicContact CB-CB 4.03Å; C317-C333 VanDerWaalsContact CB-SG 3.52Å; C317-C333 PolarHBondContact SG-SG 3.34Å
318S89.2Confident82.9Confident97 Ų9772.7 Ų72.768%0.67840%0.396SS*.  trans-83.6-9.8-178.561.40000114.9R311 V320R311-S318 PolarHBondContact NH1-O 3.07Å; S318-V320 WeakPolarHBondContact O-CG2 3.44Å
319F87.9Confident84.3Confident40 Ų4075.1 Ų75.118%0.17541%0.408CS..  trans-49140.5-169.8178.1-107.2000114.4R311 C312 Y321 C330 P331 E332R311-F319 CarbonylContact C-O 3.48Å; R311-F319 VanDerWaalsContact CA-O 3.25Å; R311-F319 WeakPolarHBondContact CA-O 3.37Å; C312-F319 HydrophobicContact CB-CB 4.18Å; C312-F319 PolarHBondContact N-O 3.03Å; F319-Y321 HydrophobicContact CE1-CD1 4.14Å; F319-C330 VanDerWaalsContact CB-SG 3.56Å; F319-C330 VanDerWaalsContact CD1-SG 3.53Å; F319-P331 HydrophobicContact CD1-CG 4.48Å; F319-P331 HydrophobicContact CD2-CG 3.88Å; F319-P331 HydrophobicContact CE1-CG 4.04Å; F319-P331 HydrophobicContact CE2-CG 3.38Å; F319-P331 HydrophobicContact CG-CG 4.41Å; F319-P331 HydrophobicContact CZ-CG 3.47Å; F319-P331 VanDerWaalsContact CZ-CG 3.47Å; F319-E332 HydrophobicContact CB-CB 4.3Å; F319-E332 HydrophobicContact CB-CG 3.62Å; F319-E332 HydrophobicContact CD2-CG 3.57Å; F319-E332 HydrophobicContact CG-CG 3.88Å
320V88.4Confident85.1Confident47 Ų4767.4 Ų67.429%0.28538%0.379SS..EExtended strand (participates in β ladder)trans-130.5111177.5-164.50000110.6R309 G310 R311 S318R309-V320 HydrophobicContact CB-CG1 4.06Å; G310-V320 CarbonylContact O-C 3.22Å; G310-V320 VanDerWaalsContact O-CA 3.29Å; G310-V320 WeakPolarHBondContact O-CA 3.3Å; G310-V320 WeakPolarHBondContact O-CG1 3.5Å; R311-V320 HydrophobicContact CG-CG1 4.48Å; R311-V320 HydrophobicContact CG-CG2 4.16Å; S318-V320 WeakPolarHBondContact O-CG2 3.44Å
321Y83.5Confident85.3Confident25 Ų2570.8 Ų70.810%0.09840%0.398CS..EExtended strand (participates in β ladder)trans-73.6130.7169.553.1-86.7000109.8R309 G310 F319 T323 K326 P327 L337R309-Y321 VanDerWaalsContact CA-O 3.26Å; R309-Y321 WeakPolarHBondContact CA-O 3.29Å; G310-Y321 VanDerWaalsContact C-CE1 3.41Å; G310-Y321 PolarHBondContact N-O 3.23Å; G310-Y321 VanDerWaalsContact N-O 3.09Å; G310-Y321 WeakPolarHBondContact O-CD1 3.47Å; G310-Y321 WeakPolarHBondContact O-CE1 3.46Å; G310-Y321 PolarHBondContact O-N 3.46Å; F319-Y321 HydrophobicContact CE1-CD1 4.14Å; Y321-T323 WeakPolarHBondContact CD2-O 3.34Å; Y321-K326 HydrophobicContact CE1-CG 3.93Å; Y321-K326 HydrophobicContact CE2-CB 4.07Å; Y321-K326 HydrophobicContact CE2-CG 4.13Å; Y321-P327 HydrophobicContact CD1-CG 4.34Å; Y321-P327 HydrophobicContact CG-CG 4.39Å; Y321-L337 HydrophobicContact CD1-CD1 4.44Å; Y321-L337 HydrophobicContact CE1-CD1 4.48Å
322V77.7Confident85.2Confident87 Ų8769.3 Ų69.353%0.52740%0.399SS..  trans-92.11.5-171.3-173.20000112.7G308G308-V322 CarbonylContact O-C 3.52Å; G308-V322 VanDerWaalsContact O-C 3.24Å
323T71.7Confident85.3Confident38 Ų3871 Ų7123%0.23341%0.41CS..SBendtrans-105.4157.4-178.4500000112.1G308 Y321 H325 W341G308-T323 CarbonylContact O-C 3.46Å; G308-T323 VanDerWaalsContact O-C 3.22Å; G308-T323 PolarHBondContact O-N 3.35Å; Y321-T323 WeakPolarHBondContact CD2-O 3.34Å; T323-H325 PolarHBondContact O-N 2.75Å; T323-H325 PolarHBondContact OG1-O 3.04Å; T323-H325 VanDerWaalsContact OG1-O 3.1Å; T323-W341 HydrophobicContact CG2-CE3 4.5Å; T323-W341 HydrophobicContact CG2-CH2 3.59Å; T323-W341 HydrophobicContact CG2-CZ2 3.62Å; T323-W341 HydrophobicContact CG2-CZ3 4.05Å; T323-W341 VanDerWaalsContact OG1-CE3 3.31Å; T323-W341 VanDerWaalsContact OG1-CZ3 3.29Å; T323-W341 WeakPolarHBondContact OG1-CZ3 3.44Å
324R71Confident85.4Confident151 Ų15167.6 Ų67.657%0.5740%0.403SS*.SBendtrans-65.9-17.8171.2-73.4-177.3176.2-85.4-21.5113.5R306R306-R324 PolarHBondContact O-NH2 3.32Å
325H79.3Confident85.6Confident121 Ų12164.5 Ų64.556%0.5639%0.388SS*.SBendtrans-103.8113.1-175.2-50.5-90.1000108.4T323 W341T323-H325 PolarHBondContact O-N 2.75Å; T323-H325 PolarHBondContact OG1-O 3.04Å; T323-H325 VanDerWaalsContact OG1-O 3.1Å; H325-W341 HydrophobicContact CB-CB 3.45Å; H325-W341 VanDerWaalsContact CB-CB 3.45Å; H325-W341 HydrophobicContact CB-CD2 4.45Å; H325-W341 HydrophobicContact CB-CG 3.66Å
326K83.9Confident85.8Confident60 Ų6066.7 Ų66.726%0.26139%0.386SS..  trans-59.7138.7176.5-164.8169.8-166.5-148.80109.5Y321 L337 G339 K340 W341Y321-K326 HydrophobicContact CE1-CG 3.93Å; Y321-K326 HydrophobicContact CE2-CB 4.07Å; Y321-K326 HydrophobicContact CE2-CG 4.13Å; K326-L337 HydrophobicContact CD-CB 4.43Å; K326-L337 WeakPolarHBondContact CD-O 3.34Å; K326-L337 WeakPolarHBondContact CE-O 3.28Å; K326-L337 HydrophobicContact CG-CB 4.17Å; K326-L337 PolarHBondContact NZ-O 3.42Å; K326-G339 VanDerWaalsContact O-CA 3.22Å; K326-G339 WeakPolarHBondContact O-CA 3.26Å; K326-K340 PolarHBondContact O-N 3.15Å; K326-W341 PolarHBondContact O-N 3.11Å
327P87Confident85.7Confident6 Ų662.6 Ų62.64%0.03934%0.342CS..  trans-75.6162172.230.9-34.1000112Y321 T329 L337 G339 W341Y321-P327 HydrophobicContact CD1-CG 4.34Å; Y321-P327 HydrophobicContact CG-CG 4.39Å; P327-T329 WeakPolarHBondContact CB-O 3.48Å; P327-T329 WeakPolarHBondContact CG-O 3.01Å; P327-L337 HydrophobicContact CG-CD1 3.95Å; P327-L337 VanDerWaalsContact O-CB 3.29Å; P327-L337 WeakPolarHBondContact O-CB 3.47Å; P327-G339 VanDerWaalsContact O-CA 3.29Å; P327-G339 WeakPolarHBondContact O-CA 3.3Å; P327-G339 PolarHBondContact O-N 3.44Å; P327-W341 VanDerWaalsContact CA-O 3.22Å; P327-W341 WeakPolarHBondContact CA-O 3.49Å; P327-W341 HydrophobicContact CB-CE3 4.46Å; P327-W341 WeakPolarHBondContact CB-O 3.37Å
328P89.6Confident85.4Confident51 Ų5165 Ų6533%0.33137%0.371SS..SBendtrans-66.2-41.7178.525.9-33.5000112.3L337 G338 G339 W341P328-L337 CarbonylContact O-C 3.47Å; P328-L337 WeakPolarHBondContact O-CA 3.39Å; P328-L337 PolarHBondContact O-N 3.29Å; P328-G338 PolarHBondContact O-N 2.97Å; P328-G339 VanDerWaalsContact CA-O 3.31Å; P328-G339 WeakPolarHBondContact CA-O 3.41Å; P328-G339 WeakPolarHBondContact CB-O 3.48Å; P328-W341 VanDerWaalsContact CD-O 3.27Å; P328-W341 WeakPolarHBondContact CD-O 3.3Å
329T90.2Very high85.2Confident65 Ų6561.2 Ų61.240%0.39935%0.347SS..BIsolated β-bridgetrans-127.8162.8176.5470000110.7P327 G334 S335P327-T329 WeakPolarHBondContact CB-O 3.48Å; P327-T329 WeakPolarHBondContact CG-O 3.01Å; T329-G334 WeakPolarHBondContact CB-O 3.36Å; T329-G334 WeakPolarHBondContact CG2-O 3.42Å; T329-S335 CarbonylContact C-O 3.51Å; T329-S335 VanDerWaalsContact CA-O 3.23Å; T329-S335 WeakPolarHBondContact CA-O 3.47Å
330C90.2Very high84.8Confident1 Ų169 Ų691%0.00738%0.381CS..  trans-82.4130.2168.8-178.70000109.7F319 G334 S335 L337F319-C330 VanDerWaalsContact CB-SG 3.56Å; F319-C330 VanDerWaalsContact CD1-SG 3.53Å; C330-G334 VanDerWaalsContact O-CA 3.28Å; C330-G334 WeakPolarHBondContact O-CA 3.44Å; C330-G334 PolarHBondContact O-N 3.34Å; C330-S335 WeakPolarHBondContact CB-OG 3.39Å; C330-S335 PolarHBondContact N-O 3.46Å; C330-L337 HydrophobicContact CB-CD1 3.79Å; C330-L337 HydrophobicContact CB-CG 4.19Å
331P88.3Confident84.5Confident85 Ų8570.8 Ų70.855%0.55238%0.383SS*.THydrogen-bonded Turntrans-68.4-34.3178.527.9-34.3000112.9F319F319-P331 HydrophobicContact CD1-CG 4.48Å; F319-P331 HydrophobicContact CD2-CG 3.88Å; F319-P331 HydrophobicContact CE1-CG 4.04Å; F319-P331 HydrophobicContact CE2-CG 3.38Å; F319-P331 HydrophobicContact CG-CG 4.41Å; F319-P331 HydrophobicContact CZ-CG 3.47Å; F319-P331 VanDerWaalsContact CZ-CG 3.47Å
332E86.6Confident84.1Confident135 Ų13575.8 Ų75.863%0.63141%0.41SS*.THydrogen-bonded Turntrans-75.7-27.7-176.8-50.1-58142.200113.8F319F319-E332 HydrophobicContact CB-CB 4.3Å; F319-E332 HydrophobicContact CB-CG 3.62Å; F319-E332 HydrophobicContact CD2-CG 3.57Å; F319-E332 HydrophobicContact CG-CG 3.88Å
333C91.3Very high83.7Confident48 Ų4874.8 Ų74.832%0.32441%0.405SS..THydrogen-bonded Turntrans-144.215.7-169.479.90000114.9C317 S335C317-C333 HydrophobicContact CB-CB 4.03Å; C317-C333 VanDerWaalsContact CB-SG 3.52Å; C317-C333 PolarHBondContact SG-SG 3.34Å; C333-S335 PolarHBondContact O-N 2.83Å
334G88.5Confident83.4Confident45 Ų4577.6 Ų77.646%0.46443%0.432SS..  trans68.2-20.2177.400000117T329 C330 H336T329-G334 WeakPolarHBondContact CB-O 3.36Å; T329-G334 WeakPolarHBondContact CG2-O 3.42Å; C330-G334 VanDerWaalsContact O-CA 3.28Å; C330-G334 WeakPolarHBondContact O-CA 3.44Å; C330-G334 PolarHBondContact O-N 3.34Å; G334-H336 PolarHBondContact O-N 3.43Å
335S89.8Confident83.2Confident10 Ų1076.8 Ų76.87%0.0744%0.443CS..  trans-47135.8-167.173.70000114.1C312 N314 T329 C330 C333 L337C312-S335 PolarHBondContact SG-OG 3.47Å; N314-S335 WeakPolarHBondContact OD1-CB 2.93Å; T329-S335 CarbonylContact C-O 3.51Å; T329-S335 VanDerWaalsContact CA-O 3.23Å; T329-S335 WeakPolarHBondContact CA-O 3.47Å; C330-S335 WeakPolarHBondContact CB-OG 3.39Å; C330-S335 PolarHBondContact N-O 3.46Å; C333-S335 PolarHBondContact O-N 2.83Å; S335-L337 PolarHBondContact O-N 3.45Å
336H89.6Confident81.4Confident175 Ų17580.6 Ų80.681%0.8146%0.459SS*.BIsolated β-bridgetrans-64.9106.9175-48.7-65.7000110.7G334G334-H336 PolarHBondContact O-N 3.43Å
337L86.1Confident79.4Confident5 Ų581.9 Ų81.93%0.02648%0.48CS..  trans-93.6-13.9177.5-71.9-176.4000112Y321 K326 P327 P328 C330 S335 G339Y321-L337 HydrophobicContact CD1-CD1 4.44Å; Y321-L337 HydrophobicContact CE1-CD1 4.48Å; K326-L337 HydrophobicContact CD-CB 4.43Å; K326-L337 WeakPolarHBondContact CD-O 3.34Å; K326-L337 WeakPolarHBondContact CE-O 3.28Å; K326-L337 HydrophobicContact CG-CB 4.17Å; K326-L337 PolarHBondContact NZ-O 3.42Å; P327-L337 HydrophobicContact CG-CD1 3.95Å; P327-L337 VanDerWaalsContact O-CB 3.29Å; P327-L337 WeakPolarHBondContact O-CB 3.47Å; P328-L337 CarbonylContact O-C 3.47Å; P328-L337 WeakPolarHBondContact O-CA 3.39Å; P328-L337 PolarHBondContact O-N 3.29Å; C330-L337 HydrophobicContact CB-CD1 3.79Å; C330-L337 HydrophobicContact CB-CG 4.19Å; S335-L337 PolarHBondContact O-N 3.45Å; L337-G339 PolarHBondContact O-N 2.98Å
338G83.8Confident76.9Confident72 Ų7291.1 Ų91.174%0.74252%0.52SS*.  trans71.612.7169.600000114.7P328P328-G338 PolarHBondContact O-N 2.97Å
339G85.5Confident74.4Confident18 Ų1899.2 Ų99.219%0.18654%0.544CS..  trans-82.4-176.7172.100000113.5K326 P327 P328 L337K326-G339 VanDerWaalsContact O-CA 3.22Å; K326-G339 WeakPolarHBondContact O-CA 3.26Å; P327-G339 VanDerWaalsContact O-CA 3.29Å; P327-G339 WeakPolarHBondContact O-CA 3.3Å; P327-G339 PolarHBondContact O-N 3.44Å; P328-G339 VanDerWaalsContact CA-O 3.31Å; P328-G339 WeakPolarHBondContact CA-O 3.41Å; P328-G339 WeakPolarHBondContact CB-O 3.48Å; L337-G339 PolarHBondContact O-N 2.98Å
340K79.8Confident71.8Confident203 Ų203101.3 Ų101.388%0.88356%0.556SS**  trans-124.33177.1-71.9-169.6-109.6-75.90113.6K326K326-K340 PolarHBondContact O-N 3.15Å
341W81.5Confident69.3Low85 Ų85109.3 Ų109.332%0.32259%0.594SS.*  trans-94.4111.3-173.9-178.774.5000112.2T323 H325 K326 P327 P328 P343T323-W341 HydrophobicContact CG2-CE3 4.5Å; T323-W341 HydrophobicContact CG2-CH2 3.59Å; T323-W341 HydrophobicContact CG2-CZ2 3.62Å; T323-W341 HydrophobicContact CG2-CZ3 4.05Å; T323-W341 VanDerWaalsContact OG1-CE3 3.31Å; T323-W341 VanDerWaalsContact OG1-CZ3 3.29Å; T323-W341 WeakPolarHBondContact OG1-CZ3 3.44Å; H325-W341 HydrophobicContact CB-CB 3.45Å; H325-W341 VanDerWaalsContact CB-CB 3.45Å; H325-W341 HydrophobicContact CB-CD2 4.45Å; H325-W341 HydrophobicContact CB-CG 3.66Å; K326-W341 PolarHBondContact O-N 3.11Å; P327-W341 VanDerWaalsContact CA-O 3.22Å; P327-W341 WeakPolarHBondContact CA-O 3.49Å; P327-W341 HydrophobicContact CB-CE3 4.46Å; P327-W341 WeakPolarHBondContact CB-O 3.37Å; P328-W341 VanDerWaalsContact CD-O 3.27Å; P328-W341 WeakPolarHBondContact CD-O 3.3Å; W341-P343 HydrophobicContact CE3-CG 4.36Å; W341-P343 HydrophobicContact CH2-CB 3.92Å; W341-P343 HydrophobicContact CH2-CG 4.03Å; W341-P343 HydrophobicContact CZ2-CB 4.47Å; W341-P343 HydrophobicContact CZ3-CB 4.2Å; W341-P343 HydrophobicContact CZ3-CG 3.78Å
342I74.8Confident66.8Low131 Ų131112 Ų11267%0.67260%0.603SS**  trans-88.1127172.6-57.6173.4000107.4A344I342-A344 PolarHBondContact O-N 3Å
343P68.4Low64.5Low66 Ų66115.8 Ų115.843%0.42962%0.618SS.*  trans-59.4133.3171.6-19.831000110.3W341 V345W341-P343 HydrophobicContact CE3-CG 4.36Å; W341-P343 HydrophobicContact CH2-CB 3.92Å; W341-P343 HydrophobicContact CH2-CG 4.03Å; W341-P343 HydrophobicContact CZ2-CB 4.47Å; W341-P343 HydrophobicContact CZ3-CB 4.2Å; W341-P343 HydrophobicContact CZ3-CG 3.78Å; P343-V345 PolarHBondContact O-N 3.36Å
344A66.6Low61.7Low96 Ų96118.5 Ų118.579%0.79364%0.644SS**  trans-66.9100.6170.800000108.8I342 K346I342-A344 PolarHBondContact O-N 3Å; A344-K346 PolarHBondContact O-N 2.81Å
345V65.9Low59.1Low134 Ų134120.4 Ų120.481%0.81266%0.663SS**  trans-61.6105.1176.2-75.10000108.9P343 A347P343-V345 PolarHBondContact O-N 3.36Å; V345-A347 PolarHBondContact O-N 3.15Å
346K42Very low56.3Low202 Ų202124.5 Ų124.588%0.87870%0.698SS**  trans-77.576.8-177.7-163.1176.6-173.7-177.60108.9A344 K348A344-K346 PolarHBondContact O-N 2.81Å; K346-K348 PolarHBondContact O-N 2.98Å
347A41.6Very low53.7Low86 Ų86122.1 Ų122.171%0.71170%0.701SS**  trans-54.1108.1-176.100000110.7V345 R349V345-A347 PolarHBondContact O-N 3.15Å; A347-R349 PolarHBondContact O-N 3.26Å
348K36.1Very low51.3Low200 Ų200132.8 Ų132.887%0.8774%0.741SS**  trans-66.5103164.9-75.1-174.5174.2-175.30107K346 T350K346-K348 PolarHBondContact O-N 2.98Å; K348-T350 VanDerWaalsContact C-N 3.27Å; K348-T350 PolarHBondContact O-N 3.31Å
349R36.2Very low48.9Very low222 Ų222137 Ų13784%0.83875%0.745SS**  trans-71.587.1164.1-84.9-171.2169.1-170.3-2.6108.7A347 Q351A347-R349 PolarHBondContact O-N 3.26Å; R349-Q351 PolarHBondContact O-N 3.11Å
350T34.9Very low46.4Very low108 Ų108142.2 Ų142.266%0.66377%0.773SS**  trans-71.3114.8150.3-42.70000106K348 D352K348-T350 VanDerWaalsContact C-N 3.27Å; K348-T350 PolarHBondContact O-N 3.31Å; T350-D352 WeakPolarHBondContact CG2-OD2 3.41Å; T350-D352 PolarHBondContact O-N 3.14Å
351Q37.5Very low44.1Very low169 Ų169138.1 Ų138.179%0.7977%0.766SS**  trans-9279.3173.2-81.1-163.7-86.400109.7R349R349-Q351 PolarHBondContact O-N 3.11Å
352D35.9Very low41.9Very low142 Ų142141.6 Ų141.676%0.75979%0.791SS**  trans-78.4134.5162.4-69.7-61.4000109.7T350T350-D352 WeakPolarHBondContact CG2-OD2 3.41Å; T350-D352 PolarHBondContact O-N 3.14Å
353K37.9Very low40Very low214 Ų214143.4 Ų143.493%0.9380%0.802SS**  trans-107.489.1-163.6-177.7-172.2174.7-173.70110.3
354A33.7Very low38.5Very low106 Ų106148.7 Ų148.788%0.87682%0.818SS**  trans-119.1134.6170.900000110.2
355G32.6Very low36.9Very low84 Ų84149.5 Ų149.587%0.86682%0.818SS**  trans-126126-178.400000112.5
356A32.1Very low35.3Very low96 Ų96149.4 Ų149.479%0.79381%0.813SS**  trans-146.1113.5157.700000104.9
357S35.1Very low34.8Very low125 Ų125146 Ų14687%0.87480%0.8SS**  73137.579.9-160.60000112.6
358R35.7Very low34.2Very low230 Ų230147 Ų14787%0.86880%0.801SS**  trans-73.5151.8-173.6-60.9175.6175.6-174.6-1.9111.2
359L32.5Very low34.3Very low161 Ų161145.7 Ų145.784%0.84379%0.791SS**  -153.6137.4126.5-116.7148.7000111.6T361L359-T361 HydrophobicContact CD2-CG2 4.19Å
360T33.8Very low34.2Very low126 Ų126142.8 Ų142.877%0.77379%0.787SS**  trans-115.6123.1174.545.40000108.1
361T32.3Very low34Very low118 Ų118142.3 Ų142.372%0.72479%0.794SS**  trans-146.9110.9167.6490000109.6L359L359-T361 HydrophobicContact CD2-CG2 4.19Å
362D34.7Very low33.7Very low157 Ų157139.6 Ų139.684%0.8479%0.789SS**  trans-61.9151.9154.5-63.7-88000109.9
363N33.9Very low33.5Very low169 Ų169140 Ų14090%0.90479%0.791SS**  trans-156.9148.9155.8-105.9-44.3000110.5
364K37.1Very low33.3Very low177 Ų177137.3 Ų137.377%0.7778%0.781SS**  trans-137.1122.8-168.6178-170.1171.3-174.30111.6D366K364-D366 WeakPolarHBondContact CE-OD2 3.46Å; K364-D366 IonicContact NZ-OD2 2.86Å
365S33.6Very low33.2Very low113 Ų113137.1 Ų137.179%0.7977%0.769SS**  trans-164.1112.1160.952.80000107.2
366D31.2Very low33.1Very low133 Ų133138.2 Ų138.271%0.71176%0.763SS**  84.3135.854.4-101-57.3000116.5K364K364-D366 WeakPolarHBondContact CE-OD2 3.46Å; K364-D366 IonicContact NZ-OD2 2.86Å
367E32.3Very low33.1Very low130 Ų130137.9 Ų137.961%0.60776%0.76SS**  trans35.4120.4171.3-169.2154.761.200122.9R369E367-R369 IonicContact OE1-CZ 3.16Å; E367-R369 IonicContact OE1-NE 2.74Å; E367-R369 IonicContact OE1-NH2 2.75Å; E367-R369 PolarHBondContact OE1-NH2 3.37Å; E367-R369 IonicContact OE2-CZ 3.8Å; E367-R369 IonicContact OE2-NE 3.01Å; E367-R369 PolarHBondContact OE2-NE 2.99Å; E367-R369 IonicContact OE2-NH2 3.78Å; E367-R369 PolarHBondContact OE2-NH2 3.34Å
368S28.5Very low32.8Very low106 Ų106138.5 Ų138.574%0.74175%0.754SS**  -173.4111.4114.2-161.50000114.8
369R39.7Very low32.8Very low173 Ų173133.2 Ų133.265%0.65375%0.747SS**  33.9148.2122.9-58.9174.4-166.8-171.28.3119.6E367E367-R369 IonicContact OE1-CZ 3.16Å; E367-R369 IonicContact OE1-NE 2.74Å; E367-R369 IonicContact OE1-NH2 2.75Å; E367-R369 PolarHBondContact OE1-NH2 3.37Å; E367-R369 IonicContact OE2-CZ 3.8Å; E367-R369 IonicContact OE2-NE 3.01Å; E367-R369 PolarHBondContact OE2-NE 2.99Å; E367-R369 IonicContact OE2-NH2 3.78Å; E367-R369 PolarHBondContact OE2-NH2 3.34Å
370Q32.7Very low33Very low162 Ų162130.4 Ų130.476%0.75774%0.741SS**  cis-169.8156.911.5-123.6164.510.300110.2
371A31Very low33Very low98 Ų98133.8 Ų133.881%0.8175%0.745SS**  trans173.358.9151.200000116.9
372T31.9Very low33Very low111 Ų111134.5 Ų134.568%0.68175%0.749SS**  31.3112.7123.8-49.40000122.8
373L31.9Very low32.8Very low151 Ų151132.5 Ų132.579%0.79175%0.748SS**  trans68.6163.6146.8-58177.2000119.1
374H33Very low32.5Very low158 Ų158128.1 Ų128.173%0.73174%0.743SS**  cis-155.5164.111.4-141.1-139.6000105.4
375V30.7Very low32.1Very low102 Ų102123.7 Ų123.762%0.61875%0.747SS**  cis173.4165.1-5122.30000107.3
376S31Very low32Very low106 Ų106122.3 Ų122.374%0.74175%0.751SS**  trans68.5142173.4-63.40000117.3
377A31.6Very low32.1Very low89 Ų89123.2 Ų123.274%0.73676%0.755SS**  cis78143.333.800000113.3
378D30.3Very low32.2Very low138 Ų138124.4 Ų124.474%0.73876%0.759SS**  cis-157.3170.920.2-156.9-11.8000112.9
379T35.5Very low32.4Very low120 Ų120127.2 Ų127.274%0.73676%0.76SS**  trans63.9153.516264.50000120.1
380S36.2Very low32.2Very low101 Ų101122.6 Ų122.671%0.70677%0.767SS**  cis-166.1154.1-23.454.40000112.5
381K33.4Very low32.4Very low198 Ų198124.4 Ų124.486%0.86178%0.775SS**  trans20138.5142.3-74.7179.4176.8175.40119.8
382T31.7Very low32.5Very low132 Ų132124.6 Ų124.681%0.8178%0.776SS**  cis-136.7-158.14.652.80000109.1
383S30.9Very low32.7Very low116 Ų116125.8 Ų125.881%0.81178%0.778SS**  cis-154.5-179.16.282.30000109.9
384G28.8Very low32.9Very low77 Ų77130.2 Ų130.279%0.79479%0.785SS**  cis-174.6-43.20.600000116.8
385G28.6Very low32.9Very low83 Ų83128.2 Ų128.286%0.85679%0.789SS**  trans-175.4164.6-176.500000115.6
386G30.8Very low33.1Very low85 Ų85130 Ų13088%0.87679%0.794SS**  trans146130.1-179.700000111.7
387N32.7Very low33.2Very low151 Ų151134.8 Ų134.881%0.80780%0.796SS**  trans-122.4150.4-163.1-141.6-13.2000113.1
388K35.8Very low33.4Very low156 Ų156139.9 Ų139.968%0.67880%0.802SS**  trans70.3136.4153.2-78.8160.3154.8-95.50122.8
389E32.3Very low33.8Very low164 Ų164140.8 Ų140.877%0.76680%0.802SS**  trans69.9135139.3-67.2165.77400120.4
390G34.5Very low34.7Very low77 Ų77140.2 Ų140.279%0.79480%0.8SS**  trans163.248.8-171.100000113.6A392G390-A392 PolarHBondContact O-N 3.39Å
391Q36.8Very low34.6Very low200 Ų200139.6 Ų139.694%0.93580%0.801SS**  trans-72.4117.7-170.1-171.7-176.529.100112.9
392A33.4Very low34.6Very low101 Ų101137.9 Ų137.984%0.83580%0.8SS**  trans-138.190.9174.500000111.9G390G390-A392 PolarHBondContact O-N 3.39Å
393N37.3Very low34.7Very low136 Ų136137 Ų13773%0.72780%0.799SS**  trans-78.9129.4-178.3177.64.5000112.2S395N393-S395 PolarHBondContact OD1-N 3.21Å
394R35.3Very low34.8Very low245 Ų245136.2 Ų136.293%0.92580%0.8SS**  trans-151.495.4150.1-112.9168-165.6-139.8-1.3111.9
395S34.1Very low35.1Very low116 Ų116137.8 Ų137.881%0.81181%0.806SS**  trans-60.1157.9176.6-171.80000113.7N393N393-S395 PolarHBondContact OD1-N 3.21Å
396N34.3Very low35.8Very low138 Ų138138.4 Ų138.474%0.73880%0.803SS**  trans-119.1136.6-164-164.111.3000112.2
397R33.3Very low37.1Very low207 Ų207140 Ų14078%0.78180%0.798SS**  trans35.5102.4146.7-170.7-177.2-160.9172.84118.7
398K35.3Very low38.1Very low197 Ų197137.7 Ų137.786%0.85779%0.791SS**  trans-67.6140.3163.2-71.8-176.5174.4-177.10112.2
399Q39.3Very low38Very low157 Ų157138.9 Ų138.973%0.73480%0.799SS**  trans-142.4-178.4162.6-70.3-62.4-69.600106.9
400P53.6Low38.1Very low108 Ų108135.1 Ų135.170%0.70180%0.804SS**  -129.8-162.8-106.932.9-8000113.8
401A33.6Very low38.1Very low87 Ų87137.2 Ų137.272%0.71981%0.807SS**  trans72.1158.8164.800000116
402L33.6Very low37.9Very low162 Ų162133.1 Ų133.185%0.84880%0.8SS**  cis-159.4-174.9-21.4-114.6173.4000108.8
403S33.6Very low38.2Very low113 Ų113134.9 Ų134.979%0.7980%0.796SS**  trans79.6155168.2-50.50000117.4
404A35Very low38.4Very low100 Ų100134.7 Ų134.783%0.82680%0.8SS**  cis162.2110-44.900000109.5
405A33.9Very low39.4Very low111 Ų111128.6 Ų128.692%0.91779%0.792SS**  trans-162.1164.1164.800000108.9
406A42.5Very low39.7Very low96 Ų96131 Ų13179%0.79379%0.794SS**  trans-131.4-178.8-166.300000112.5
407P59.6Low41Very low118 Ų118129.6 Ų129.677%0.76679%0.793SS**  trans-101.4-162.7-143.145.2-42.6000113.8
408P54Low41.6Very low103 Ų103129 Ų12967%0.66980%0.799SS**  -149.2-1617634.6-9.7000115.4
409E33.9Very low42.3Very low180 Ų180127.2 Ų127.284%0.84180%0.797SS**  trans72143.5166.2-47.8-52.58300121.3
410G32.8Very low43Very low85 Ų85135.2 Ų135.288%0.87682%0.821SS**  trans129.777.5164.100000116.9
411S35.1Very low42.4Very low122 Ų122136.6 Ų136.685%0.85383%0.827SS**  trans-114.1134173.71800000112.1
412S33.5Very low42.9Very low113 Ų113139.2 Ų139.279%0.7983%0.832SS**  trans176.3170.6130.2-161.40000111.8
413N37.9Very low43.4Very low139 Ų139137.9 Ų137.974%0.74383%0.832SS**  trans-115.2-172.7-176-76.8-75.1000112.8
414T43.3Very low44Very low132 Ų132139.4 Ų139.481%0.8183%0.834SS**  trans88.7157.6160.475.90000117.9
415P55Low44.6Very low117 Ų117141.8 Ų141.876%0.7683%0.834SS**  cis-135.5178.6-42.535.4-19.4000114.5
416L41.7Very low45.3Very low165 Ų165143.9 Ų143.986%0.86483%0.829SS**PPolyproline II helixtrans-75.5147.1162.2-87.6152.2000111.6
417P59.7Low45.5Very low110 Ų110147.3 Ų147.371%0.71483%0.831SS**PPolyproline II helixtrans-87.3144.4168.334.3-32.4000112.4
418Q46.6Very low44.4Very low194 Ų194149.5 Ų149.591%0.90784%0.836SS**PPolyproline II helixtrans-89.1161.2156.2-71-173.5-65.900110.1
419I50Low43.6Very low159 Ų159153.4 Ų153.482%0.81585%0.85SS**  trans-130.4138.4171-58.9177.4000106.7
420W53.7Low44.5Very low325 Ų325151 Ų151100%1.23185%0.851SS**  trans-82.50172-72.9-33.4000111.3

Retrieved 420 of 420 residues in 90.8 ms (Link to these results)