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IQCJ-SCHIP1 readthrough transcript protein

May play a role in action potential conduction in myelinated cells through the organization of molecular complexes at nodes of Ranvier and axon initial segments1,2,3. May also play a role in axon outgrowth and guidance4.

AlphaFold DB , UniProt , Accession A0A088MLT8, Species MOUSE (Mus musculus, Mouse), Gene Iqcj-Schip1, Length 559 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
1M49.1Very low48.1Very low199 Ų199164.5 Ų164.598%0.9876%0.761SS**  0-62.90-141.7173.2-82.300112L3 E4M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.16Å; M1-E4 WeakPolarHBondContact CA-OE2 3.34Å; M1-E4 PolarHBondContact N-OE2 2.94Å
2R54Low47.1Very low225 Ų225160.2 Ų160.285%0.84976%0.759SS**THydrogen-bonded Turntrans-80.910.2174.9-79.9-172.2176.7155.51116.4
3L48.1Very low45.8Very low135 Ų135161.3 Ų161.371%0.70777%0.771SS**THydrogen-bonded Turntrans-113-29-176.7-87.4161.9000113.2M1M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.16Å
4E54.9Low45.3Very low119 Ų119163.3 Ų163.356%0.55678%0.779SS**THydrogen-bonded Turntrans-69.7-39.2178.6-70.661.1-133.500112M1 K7 R8M1-E4 WeakPolarHBondContact CA-OE2 3.34Å; M1-E4 PolarHBondContact N-OE2 2.94Å; E4-K7 WeakPolarHBondContact O-CB 3.49Å; E4-K7 PolarHBondContact O-N 2.72Å; E4-K7 VanDerWaalsContact O-N 3.16Å; E4-R8 PolarHBondContact O-N 2.88Å
5E48Very low44.3Very low132 Ų132164.9 Ų164.962%0.61779%0.785SS**G310 helixtrans-66.4-46.4-177.2-62178.6131.600112.7K7 R8 L9E5-K7 PolarHBondContact O-N 2.92Å; E5-R8 PolarHBondContact O-N 3.33Å; E5-L9 PolarHBondContact O-N 3.5Å
6L48.9Very low43.7Very low120 Ų120163.1 Ų163.163%0.62879%0.788SS**G310 helixtrans-59.2-19.6174.5-78.6169.5000112.8
7K54.3Low42.9Very low179 Ų179162.1 Ų162.178%0.77879%0.788SS**G310 helixtrans-88.5-11.4177.2-141.5177.2-174.8-177.40113.9E4 E5E4-K7 WeakPolarHBondContact O-CB 3.49Å; E4-K7 PolarHBondContact O-N 2.72Å; E4-K7 VanDerWaalsContact O-N 3.16Å; E5-K7 PolarHBondContact O-N 2.92Å
8R50.8Low42.4Very low231 Ų231161.4 Ų161.487%0.87279%0.788SS**THydrogen-bonded Turntrans-88.7-25169.4-60.7-170.284.1143.31.7112.6E4 E5E4-R8 PolarHBondContact O-N 2.88Å; E5-R8 PolarHBondContact O-N 3.33Å
9L43.3Very low41.9Very low152 Ų152156.8 Ų156.880%0.79679%0.787SS**SBendtrans-91.111.2-178.2-63.1174.9000114.3E5E5-L9 PolarHBondContact O-N 3.5Å
10Q40.1Very low41.8Very low158 Ų158158.2 Ų158.274%0.73879%0.788SS**  trans-130.883.5-177.1-174.9167.488.800112.2
11N37.8Very low41.2Very low159 Ų159162 Ų16285%0.8579%0.794SS**  trans-150.9149.8147.4-97.2-35.4000109.2
12P36.2Very low40.4Very low113 Ų113159.2 Ų159.273%0.73478%0.783SS**  trans-99.4157.9-145.6-526.2000114.6E14P12-E14 PolarHBondContact O-N 3.19Å
13L29.5Very low39.6Very low175 Ų175156.9 Ų156.992%0.91679%0.786SS**  trans-66.4126.9152.8-71.382.5000108.4
14E39.7Very low38.9Very low189 Ų189158 Ų15888%0.88379%0.788SS**  trans-117.6136.2154-168.6159.4-137.200108.7P12P12-E14 PolarHBondContact O-N 3.19Å
15Q29.7Very low37.9Very low187 Ų187158.8 Ų158.887%0.87480%0.796SS**  trans-106.8101.8-160.8178.9173.475.300109.8
16V35.3Very low37.4Very low136 Ų136158.9 Ų158.982%0.82480%0.796SS**  trans-108.6113.9172.8-176.70000109.2
17D30.1Very low36.5Very low147 Ų147161.3 Ų161.379%0.78680%0.804SS**  trans-81.2109.5177.4-174.625000110
18D33.4Very low35.7Very low149 Ų149159.4 Ų159.480%0.79780%0.802SS**  trans-177.3125.7150.8-106.5-30.7000110.8K20D18-K20 PolarHBondContact O-N 3.31Å; D18-K20 VanDerWaalsContact O-N 3.1Å
19G33.5Very low34.9Very low74 Ų74152.8 Ų152.876%0.76380%0.797SS**  trans-73.2101.5-164.300000116.7
20K38.5Very low34.8Very low185 Ų185152.4 Ų152.480%0.80479%0.793SS**  trans-140.9131.7147.9-76.195.6-166.8-61.90110.6D18 L22D18-K20 PolarHBondContact O-N 3.31Å; D18-K20 VanDerWaalsContact O-N 3.1Å; K20-L22 PolarHBondContact O-N 3.02Å
21Y30Very low34.8Very low237 Ų237152.3 Ų152.393%0.92980%0.797SS**  trans-70.8117.5163.4-79.1-96000109
22L33.2Very low35Very low142 Ų142151.4 Ų151.474%0.74380%0.797SS**  trans-126.9115169-162.678.2000107.9K20K20-L22 PolarHBondContact O-N 3.02Å
23L36.6Very low35.4Very low175 Ų175154.6 Ų154.692%0.91680%0.802SS**  trans-85.5113.9162.7-10368.7000107.2
24E33.2Very low35.9Very low159 Ų159152.5 Ų152.574%0.74379%0.792SS**  trans-107.1127.3173.8-179.2174.2-168.800109.2
25N35Very low35.7Very low135 Ų135150.8 Ų150.872%0.72279%0.789SS**  trans157.8127.3160-84.2-37000108
26H36.4Very low36.4Very low135 Ų135147.7 Ų147.763%0.62578%0.777SS**  cis-137.3164.9-3.4-67.3-63.2000111.2K162H26-K162 PolarHBondContact CD2-NZ 2.93Å
27Q29.3Very low36.5Very low170 Ų170148.2 Ų148.279%0.79477%0.77SS**PPolyproline II helixtrans-59128.5174.3-158.287.662.200112.5
28L38.3Very low37Very low139 Ų139147.6 Ų147.673%0.72877%0.767SS**PPolyproline II helixtrans-103.1142.4153.7-73.7174.4000108.7
29A34.2Very low37.4Very low93 Ų93147.9 Ų147.977%0.76976%0.758SS**PPolyproline II helixtrans-70.9141.6177.200000110.7
30M40.8Very low37.6Very low143 Ų143150.9 Ų150.970%0.70476%0.764SS**  trans-91.2111.7172.2-69.8168.66300109.2V32 E37M30-V32 PolarHBondContact O-N 3.03Å; M30-E37 VanDerWaalsContact CE-OE1 3.26Å; M30-E37 WeakPolarHBondContact CE-OE1 3.47Å
31D39.9Very low37.9Very low157 Ų157148.4 Ų148.484%0.8476%0.759SS**  trans-67.2123.2164.1-66.5-43.6000108.7E33D31-E33 PolarHBondContact O-N 3.34Å
32V42.2Very low38.5Very low139 Ų139141.1 Ų141.184%0.84274%0.743SS**SBendtrans-75.75.6-160.1-1780000113.4M30M30-V32 PolarHBondContact O-N 3.03Å
33E45.5Very low39.3Very low180 Ų180140.3 Ų140.384%0.84174%0.739SS**  trans-121.633-161.1-59.9-169.8142.100114.5D31D31-E33 PolarHBondContact O-N 3.34Å
34N40.3Very low39.9Very low132 Ų132137.9 Ų137.971%0.70672%0.723SS**  trans-144.3109.3160-108.1-65.6000113.4I36N34-I36 HydrophobicContact CB-CD1 4.18Å; N34-I36 HydrophobicContact CB-CG1 4.29Å; N34-I36 PolarHBondContact O-N 3.44Å
35N35.2Very low41.2Very low153 Ų153133.3 Ų133.382%0.81871%0.707SS**  trans-85.972.4-167.8-158.5-35.7000112.2
36I42.8Very low42.5Very low121 Ų121132.7 Ų132.762%0.62170%0.702SS**  trans-119.417.1-170.6-40.7-179000112.3N34 N38N34-I36 HydrophobicContact CB-CD1 4.18Å; N34-I36 HydrophobicContact CB-CG1 4.29Å; N34-I36 PolarHBondContact O-N 3.44Å; I36-N38 PolarHBondContact O-N 2.96Å
37E38Very low43.7Very low147 Ų147130.1 Ų130.169%0.68769%0.691SS**THydrogen-bonded Turntrans-71.532-173.2-57.8-168.6130.900116M30M30-E37 VanDerWaalsContact CE-OE1 3.26Å; M30-E37 WeakPolarHBondContact CE-OE1 3.47Å
38N41.8Very low45.8Very low134 Ų134124.8 Ų124.872%0.71767%0.672SS**THydrogen-bonded Turntrans-134.413.5-173.4-90.4-86.9000115.8I36I36-N38 PolarHBondContact O-N 2.96Å
39Y40Very low47.8Very low156 Ų156124.4 Ų124.461%0.61267%0.665SS**  trans-133.491.6176.5-83.5-82.9000113.6L41Y39-L41 HydrophobicContact CD1-CG 4.48Å; Y39-L41 PolarHBondContact O-N 3.18Å
40P39Very low49.8Very low136 Ų136123.5 Ų123.588%0.88365%0.65SS**  trans-74.867.9168.132.7-35.2000110.9S42P40-S42 PolarHBondContact O-N 2.89Å
41L44.3Very low51.8Low133 Ų133122.5 Ų122.570%0.69664%0.641SS**  trans-75.4102.1173-73.3174.4000109.7Y39 L43Y39-L41 HydrophobicContact CD1-CG 4.48Å; Y39-L41 PolarHBondContact O-N 3.18Å; L41-L43 WeakPolarHBondContact O-CD1 3.48Å; L41-L43 PolarHBondContact O-N 3.48Å
42S42Very low53.9Low84 Ų84120.3 Ų120.359%0.58763%0.628SS**  trans-61116.8173-1730000110.7P40 P45P40-S42 PolarHBondContact O-N 2.89Å; S42-P45 WeakPolarHBondContact O-CD 3.5Å; S42-P45 WeakPolarHBondContact OG-CD 3.29Å
43L51.5Low55.8Low126 Ų126118.6 Ų118.666%0.6661%0.613SS**SBendtrans-77.2-31.2179.7-72.594.3000112.8L41 L46 E47L41-L43 WeakPolarHBondContact O-CD1 3.48Å; L41-L43 PolarHBondContact O-N 3.48Å; L43-L46 WeakPolarHBondContact O-CA 3.38Å; L43-L46 VanDerWaalsContact O-CB 3.27Å; L43-L46 WeakPolarHBondContact O-CB 3.45Å; L43-L46 PolarHBondContact O-N 3.2Å; L43-E47 PolarHBondContact O-N 3.17Å; L43-E47 VanDerWaalsContact O-N 3.16Å
44Q47.6Very low57.5Low124 Ų124112.4 Ų112.458%0.57958%0.584SS**Hα-helixtrans-55.1-42.3-175.6-73.1-71.5-36.800114.1L46 S48Q44-L46 VanDerWaalsContact C-N 3.27Å; Q44-L46 PolarHBondContact O-N 3.37Å; Q44-S48 WeakPolarHBondContact O-CB 3.23Å; Q44-S48 PolarHBondContact O-N 3.26Å; Q44-S48 VanDerWaalsContact O-N 3.12Å; Q44-S48 PolarHBondContact O-OG 3.22Å
45P61.4Low59.6Low63 Ų63114.8 Ų114.841%0.40958%0.584SS.*Hα-helixtrans-64.2-25.3171.7-24.634.9000114.8S42 K49S42-P45 WeakPolarHBondContact O-CD 3.5Å; S42-P45 WeakPolarHBondContact OG-CD 3.29Å; P45-K49 WeakPolarHBondContact O-CD 3.36Å; P45-K49 VanDerWaalsContact O-CG 3.27Å; P45-K49 WeakPolarHBondContact O-CG 3.43Å; P45-K49 PolarHBondContact O-N 2.9Å
46L61.4Low61.9Low121 Ų121110.2 Ų110.263%0.63457%0.567SS**Hα-helixtrans-77.4-47.9179.8-131.173.3000110.7L43 Q44 S48 K49 V50L43-L46 WeakPolarHBondContact O-CA 3.38Å; L43-L46 VanDerWaalsContact O-CB 3.27Å; L43-L46 WeakPolarHBondContact O-CB 3.45Å; L43-L46 PolarHBondContact O-N 3.2Å; Q44-L46 VanDerWaalsContact C-N 3.27Å; Q44-L46 PolarHBondContact O-N 3.37Å; L46-S48 VanDerWaalsContact C-N 3.28Å; L46-S48 PolarHBondContact O-N 3.32Å; L46-K49 PolarHBondContact O-N 3.06Å; L46-V50 WeakPolarHBondContact O-CG2 3.34Å; L46-V50 PolarHBondContact O-N 3.17Å
47E61.4Low63.8Low82 Ų82109.5 Ų109.538%0.38356%0.556SS.*Hα-helixtrans-57.5-42.8173-69.4-177.2-146.400112L43 K49 V50 K51L43-E47 PolarHBondContact O-N 3.17Å; L43-E47 VanDerWaalsContact O-N 3.16Å; E47-K49 VanDerWaalsContact C-N 3.32Å; E47-K49 PolarHBondContact O-N 3.08Å; E47-V50 PolarHBondContact O-N 3.27Å; E47-K51 WeakPolarHBondContact O-CB 3.36Å; E47-K51 WeakPolarHBondContact O-CD 3.32Å; E47-K51 VanDerWaalsContact O-CG 3.3Å; E47-K51 WeakPolarHBondContact O-CG 3.23Å; E47-K51 PolarHBondContact O-N 3.23Å; E47-K51 IonicContact OE2-NZ 2.73Å; E47-K51 PolarHBondContact OE2-NZ 3.04Å
48S73.5Confident66.1Low57 Ų57109.4 Ų109.440%0.39955%0.55SS..Hα-helixtrans-58.3-44.4177.3-61.80000111.4Q44 L46 K51 I52Q44-S48 WeakPolarHBondContact O-CB 3.23Å; Q44-S48 PolarHBondContact O-N 3.26Å; Q44-S48 VanDerWaalsContact O-N 3.12Å; Q44-S48 PolarHBondContact O-OG 3.22Å; L46-S48 VanDerWaalsContact C-N 3.28Å; L46-S48 PolarHBondContact O-N 3.32Å; S48-K51 PolarHBondContact O-N 3.24Å; S48-I52 WeakPolarHBondContact O-CD1 3.44Å; S48-I52 VanDerWaalsContact O-CG1 3.25Å; S48-I52 WeakPolarHBondContact O-CG1 3.28Å; S48-I52 PolarHBondContact O-N 3.36Å
49K80.8Confident68Low131 Ų131107.6 Ų107.657%0.5754%0.537SS*.Hα-helixtrans-64.9-42.5176.1-74170.6-177.2-177.80112.5P45 L46 E47 I52 I53P45-K49 WeakPolarHBondContact O-CD 3.36Å; P45-K49 VanDerWaalsContact O-CG 3.27Å; P45-K49 WeakPolarHBondContact O-CG 3.43Å; P45-K49 PolarHBondContact O-N 2.9Å; L46-K49 PolarHBondContact O-N 3.06Å; E47-K49 VanDerWaalsContact C-N 3.32Å; E47-K49 PolarHBondContact O-N 3.08Å; K49-I52 PolarHBondContact O-N 3.11Å; K49-I53 WeakPolarHBondContact O-CG1 3.43Å; K49-I53 PolarHBondContact O-N 3.48Å
50V77.7Confident70.3Confident75 Ų75105.5 Ų105.546%0.45553%0.529SS..Hα-helixtrans-62.3-45.1176.5173.80000111L46 E47 I52 I53 Q54L46-V50 WeakPolarHBondContact O-CG2 3.34Å; L46-V50 PolarHBondContact O-N 3.17Å; E47-V50 PolarHBondContact O-N 3.27Å; V50-I52 VanDerWaalsContact C-N 3.31Å; V50-I52 PolarHBondContact O-N 2.82Å; V50-I53 PolarHBondContact O-N 2.89Å; V50-Q54 HydrophobicContact CG1-CG 4.38Å; V50-Q54 WeakPolarHBondContact O-CG 3.19Å; V50-Q54 PolarHBondContact O-N 2.91Å
51K81.3Confident72.3Confident122 Ų122103.2 Ų103.253%0.5351%0.509SS..Hα-helixtrans-60.3-38.8176.3-72.4161.4179160.80111.7E47 S48 R55E47-K51 WeakPolarHBondContact O-CB 3.36Å; E47-K51 WeakPolarHBondContact O-CD 3.32Å; E47-K51 VanDerWaalsContact O-CG 3.3Å; E47-K51 WeakPolarHBondContact O-CG 3.23Å; E47-K51 PolarHBondContact O-N 3.23Å; E47-K51 IonicContact OE2-NZ 2.73Å; E47-K51 PolarHBondContact OE2-NZ 3.04Å; S48-K51 PolarHBondContact O-N 3.24Å; K51-R55 WeakPolarHBondContact O-CB 3.17Å; K51-R55 PolarHBondContact O-N 3.23Å; K51-R55 VanDerWaalsContact O-N 3.11Å
52I84.8Confident74Confident111 Ų111103.8 Ų103.857%0.56951%0.508SS*.Hα-helixtrans-66.2-48.4174.2-69.2162.6000111.6S48 K49 V50 Q54 R55 A56S48-I52 WeakPolarHBondContact O-CD1 3.44Å; S48-I52 VanDerWaalsContact O-CG1 3.25Å; S48-I52 WeakPolarHBondContact O-CG1 3.28Å; S48-I52 PolarHBondContact O-N 3.36Å; K49-I52 PolarHBondContact O-N 3.11Å; V50-I52 VanDerWaalsContact C-N 3.31Å; V50-I52 PolarHBondContact O-N 2.82Å; I52-Q54 PolarHBondContact O-N 2.86Å; I52-R55 WeakPolarHBondContact O-CB 3.31Å; I52-R55 PolarHBondContact O-N 3.47Å; I52-R55 VanDerWaalsContact O-N 3.17Å; I52-A56 PolarHBondContact O-N 3.23Å
53I81.4Confident75.8Confident102 Ų102107.6 Ų107.652%0.52351%0.509SS..Hα-helixtrans-61.6-45.9-179.8-68.2164.8000110.8K49 V50 R55 A56 W57K49-I53 WeakPolarHBondContact O-CG1 3.43Å; K49-I53 PolarHBondContact O-N 3.48Å; V50-I53 PolarHBondContact O-N 2.89Å; I53-R55 VanDerWaalsContact C-N 3.28Å; I53-R55 PolarHBondContact O-N 3.34Å; I53-A56 PolarHBondContact O-N 3.33Å; I53-W57 WeakPolarHBondContact O-CB 3.46Å; I53-W57 PolarHBondContact O-N 3.06Å
54Q81.1Confident76.3Confident50 Ų50106.7 Ų106.723%0.23450%0.501CS..Hα-helixtrans-62.3-34.1176.1-70.3177.4-3.900112.8V50 I52 R58V50-Q54 HydrophobicContact CG1-CG 4.38Å; V50-Q54 WeakPolarHBondContact O-CG 3.19Å; V50-Q54 PolarHBondContact O-N 2.91Å; I52-Q54 PolarHBondContact O-N 2.86Å; Q54-R58 WeakPolarHBondContact O-CG 3.39Å; Q54-R58 PolarHBondContact O-N 2.91Å; Q54-R58 VanDerWaalsContact O-N 3.13Å; Q54-R58 PolarHBondContact O-NE 3.5Å
55R84.2Confident76.3Confident183 Ų183105.1 Ų105.169%0.69150%0.497SS*.Hα-helixtrans-68.6-47.8174.6-172.1173.9-175.11492.8111.3K51 I52 I53 W57 R58 E59K51-R55 WeakPolarHBondContact O-CB 3.17Å; K51-R55 PolarHBondContact O-N 3.23Å; K51-R55 VanDerWaalsContact O-N 3.11Å; I52-R55 WeakPolarHBondContact O-CB 3.31Å; I52-R55 PolarHBondContact O-N 3.47Å; I52-R55 VanDerWaalsContact O-N 3.17Å; I53-R55 VanDerWaalsContact C-N 3.28Å; I53-R55 PolarHBondContact O-N 3.34Å; R55-W57 VanDerWaalsContact C-N 3.31Å; R55-W57 PolarHBondContact O-N 2.61Å; R55-R58 PolarHBondContact O-N 3.09Å; R55-E59 WeakPolarHBondContact O-CB 3.36Å; R55-E59 PolarHBondContact O-N 2.81Å
56A83.7Confident75.5Confident56 Ų56107.7 Ų107.746%0.46351%0.514SS..Hα-helixtrans-62.4-36.7176.900000112.4I52 I53 E59 Y60I52-A56 PolarHBondContact O-N 3.23Å; I53-A56 PolarHBondContact O-N 3.33Å; A56-E59 CarbonylContact O-C 3.59Å; A56-E59 PolarHBondContact O-N 3.36Å; A56-Y60 WeakPolarHBondContact O-CB 3.33Å; A56-Y60 PolarHBondContact O-N 3.02Å
57W82Confident74.6Confident107 Ų107109.1 Ų109.141%0.40552%0.521SS..Hα-helixtrans-68.2-43.3176.5-172.6-120000112.6I53 R55 E59 Y60 L61I53-W57 WeakPolarHBondContact O-CB 3.46Å; I53-W57 PolarHBondContact O-N 3.06Å; R55-W57 VanDerWaalsContact C-N 3.31Å; R55-W57 PolarHBondContact O-N 2.61Å; W57-E59 VanDerWaalsContact C-N 3.32Å; W57-E59 PolarHBondContact O-N 2.73Å; W57-Y60 AromaticContact CE3-CD1 3.69Å; W57-Y60 HydrophobicContact CE3-CD1 3.69Å; W57-Y60 HydrophobicContact CE3-CE1 4.29Å; W57-Y60 HydrophobicContact CE3-CG 4.24Å; W57-Y60 AromaticContact CH2-CD1 3.88Å; W57-Y60 HydrophobicContact CH2-CD1 3.88Å; W57-Y60 AromaticContact CH2-CE1 3.75Å; W57-Y60 HydrophobicContact CH2-CE1 3.75Å; W57-Y60 AromaticContact CZ3-CD1 3.3Å; W57-Y60 HydrophobicContact CZ3-CD1 3.3Å; W57-Y60 AromaticContact CZ3-CE1 3.43Å; W57-Y60 HydrophobicContact CZ3-CE1 3.43Å; W57-Y60 VanDerWaalsContact CZ3-CE1 3.43Å; W57-Y60 HydrophobicContact CZ3-CG 4.15Å; W57-Y60 WeakPolarHBondContact O-CB 3.37Å; W57-Y60 PolarHBondContact O-N 3.08Å; W57-Y60 VanDerWaalsContact O-N 3.16Å; W57-L61 HydrophobicContact CZ2-CD2 4.46Å; W57-L61 PolarHBondContact O-N 2.94Å
58R87.2Confident73.6Confident145 Ų145112.1 Ų112.155%0.54754%0.535SS..Hα-helixtrans-60.3-41170.5-77.3-177.5-75.7-107-0.2112.1Q54 R55 Y60 L61 Q62Q54-R58 WeakPolarHBondContact O-CG 3.39Å; Q54-R58 PolarHBondContact O-N 2.91Å; Q54-R58 VanDerWaalsContact O-N 3.13Å; Q54-R58 PolarHBondContact O-NE 3.5Å; R55-R58 PolarHBondContact O-N 3.09Å; R58-Y60 VanDerWaalsContact C-N 3.27Å; R58-Y60 PolarHBondContact O-N 3.33Å; R58-L61 PolarHBondContact O-N 3.21Å; R58-Q62 WeakPolarHBondContact O-CB 3.27Å; R58-Q62 PolarHBondContact O-N 2.64Å
59E82.4Confident72.1Confident95 Ų95117.4 Ų117.444%0.44455%0.551SS.*Hα-helixtrans-70.3-20.7176.8-152.3-168.5119.300113.5R55 A56 W57 R63R55-E59 WeakPolarHBondContact O-CB 3.36Å; R55-E59 PolarHBondContact O-N 2.81Å; A56-E59 CarbonylContact O-C 3.59Å; A56-E59 PolarHBondContact O-N 3.36Å; W57-E59 VanDerWaalsContact C-N 3.32Å; W57-E59 PolarHBondContact O-N 2.73Å; E59-R63 WeakPolarHBondContact O-CG 3.43Å; E59-R63 PolarHBondContact O-NH1 3.39Å; E59-R63 IonicContact OE1-CZ 2.67Å; E59-R63 IonicContact OE1-NH1 3.53Å; E59-R63 PolarHBondContact OE1-NH1 3.27Å; E59-R63 IonicContact OE1-NH2 2.69Å; E59-R63 PolarHBondContact OE1-NH2 3Å
60Y87.4Confident70.1Confident113 Ų113121.9 Ų121.944%0.44357%0.565SS.*Hα-helixtrans-81.5-44.8171.6174.7-94.4000111.3A56 W57 R58 Q62 R63 Q64A56-Y60 WeakPolarHBondContact O-CB 3.33Å; A56-Y60 PolarHBondContact O-N 3.02Å; W57-Y60 AromaticContact CE3-CD1 3.69Å; W57-Y60 HydrophobicContact CE3-CD1 3.69Å; W57-Y60 HydrophobicContact CE3-CE1 4.29Å; W57-Y60 HydrophobicContact CE3-CG 4.24Å; W57-Y60 AromaticContact CH2-CD1 3.88Å; W57-Y60 HydrophobicContact CH2-CD1 3.88Å; W57-Y60 AromaticContact CH2-CE1 3.75Å; W57-Y60 HydrophobicContact CH2-CE1 3.75Å; W57-Y60 AromaticContact CZ3-CD1 3.3Å; W57-Y60 HydrophobicContact CZ3-CD1 3.3Å; W57-Y60 AromaticContact CZ3-CE1 3.43Å; W57-Y60 HydrophobicContact CZ3-CE1 3.43Å; W57-Y60 VanDerWaalsContact CZ3-CE1 3.43Å; W57-Y60 HydrophobicContact CZ3-CG 4.15Å; W57-Y60 WeakPolarHBondContact O-CB 3.37Å; W57-Y60 PolarHBondContact O-N 3.08Å; W57-Y60 VanDerWaalsContact O-N 3.16Å; R58-Y60 VanDerWaalsContact C-N 3.27Å; R58-Y60 PolarHBondContact O-N 3.33Å; Y60-Q62 VanDerWaalsContact C-N 3.34Å; Y60-Q62 PolarHBondContact O-N 2.94Å; Y60-R63 CarbonylContact O-C 3.59Å; Y60-R63 WeakPolarHBondContact O-CA 3.36Å; Y60-R63 WeakPolarHBondContact O-CB 3.39Å; Y60-R63 PolarHBondContact O-N 3.36Å; Y60-Q64 HydrophobicContact CD1-CG 4.04Å; Y60-Q64 HydrophobicContact CE1-CG 3.72Å; Y60-Q64 VanDerWaalsContact CZ-NE2 3.26Å; Y60-Q64 WeakPolarHBondContact O-CG 3.42Å; Y60-Q64 PolarHBondContact O-N 2.94Å; Y60-Q64 PolarHBondContact OH-NE2 3.27Å
61L81.3Confident68.4Low88 Ų88123.1 Ų123.146%0.46158%0.576SS.*Hα-helixtrans-59-44.1174.2-74.4166.5000111.5W57 R58 R63 Q64 D65W57-L61 HydrophobicContact CZ2-CD2 4.46Å; W57-L61 PolarHBondContact O-N 2.94Å; R58-L61 PolarHBondContact O-N 3.21Å; L61-R63 PolarHBondContact O-N 3.32Å; L61-R63 VanDerWaalsContact O-N 3.08Å; L61-Q64 WeakPolarHBondContact O-CB 3.47Å; L61-Q64 PolarHBondContact O-N 3.39Å; L61-D65 PolarHBondContact O-N 3.48Å
62Q80.8Confident66.8Low145 Ų145123.5 Ų123.568%0.67859%0.591SS**Hα-helixtrans-63.8-12.9174.4-157.48394.500114.1R58 Y60 D65R58-Q62 WeakPolarHBondContact O-CB 3.27Å; R58-Q62 PolarHBondContact O-N 2.64Å; Y60-Q62 VanDerWaalsContact C-N 3.34Å; Y60-Q62 PolarHBondContact O-N 2.94Å; Q62-D65 PolarHBondContact NE2-OD2 3.2Å
63R79Confident64.8Low163 Ų163123.2 Ų123.262%0.61560%0.599SS**Hα-helixtrans-99.8-14.8171.4-71.3176.7177.9114.5-0.4113.3E59 Y60 L61E59-R63 WeakPolarHBondContact O-CG 3.43Å; E59-R63 PolarHBondContact O-NH1 3.39Å; E59-R63 IonicContact OE1-CZ 2.67Å; E59-R63 IonicContact OE1-NH1 3.53Å; E59-R63 PolarHBondContact OE1-NH1 3.27Å; E59-R63 IonicContact OE1-NH2 2.69Å; E59-R63 PolarHBondContact OE1-NH2 3Å; Y60-R63 CarbonylContact O-C 3.59Å; Y60-R63 WeakPolarHBondContact O-CA 3.36Å; Y60-R63 WeakPolarHBondContact O-CB 3.39Å; Y60-R63 PolarHBondContact O-N 3.36Å; L61-R63 PolarHBondContact O-N 3.32Å; L61-R63 VanDerWaalsContact O-N 3.08Å
64Q62.3Low63.3Low107 Ų107123.4 Ų123.450%0.561%0.607SS.*Hα-helixtrans-86.5-16.5175.4-76.3-77.80.700112.5Y60 L61 P66Y60-Q64 HydrophobicContact CD1-CG 4.04Å; Y60-Q64 HydrophobicContact CE1-CG 3.72Å; Y60-Q64 VanDerWaalsContact CZ-NE2 3.26Å; Y60-Q64 WeakPolarHBondContact O-CG 3.42Å; Y60-Q64 PolarHBondContact O-N 2.94Å; Y60-Q64 PolarHBondContact OH-NE2 3.27Å; L61-Q64 WeakPolarHBondContact O-CB 3.47Å; L61-Q64 PolarHBondContact O-N 3.39Å; Q64-P66 WeakPolarHBondContact O-CD 3.38Å; Q64-P66 VanDerWaalsContact O-N 3.14Å
65D48.3Very low61.7Low92 Ų92126.9 Ų126.949%0.49263%0.634SS.*SBendtrans-44.4118.1168.5-84.9-48000110.2L61 Q62 L67L61-D65 PolarHBondContact O-N 3.48Å; Q62-D65 PolarHBondContact NE2-OD2 3.2Å; D65-L67 PolarHBondContact O-N 3.47Å
66P43.2Very low59.8Low117 Ų117124 Ų12476%0.7664%0.642SS**  trans-57.2102.1-159.6-32.637.3000116.4Q64 E68Q64-P66 WeakPolarHBondContact O-CD 3.38Å; Q64-P66 VanDerWaalsContact O-N 3.14Å; P66-E68 PolarHBondContact O-N 2.98Å
67L43.9Very low58Low151 Ų151127.7 Ų127.779%0.79166%0.658SS**  trans-72.557.5168.2-89.4168.9000112.3D65 K69D65-L67 PolarHBondContact O-N 3.47Å; L67-K69 PolarHBondContact O-N 2.82Å
68E40.3Very low56Low145 Ų145128.5 Ų128.568%0.67868%0.68SS**THydrogen-bonded Turntrans-58.6110.1164.8-90.7-116.5111.200109.9P66P66-E68 PolarHBondContact O-N 2.98Å
69K42.2Very low53.9Low167 Ų167126.8 Ų126.873%0.72669%0.691SS**THydrogen-bonded Turntrans69.462.8159.4-50.3167.9175.175.80116.2L67L67-K69 PolarHBondContact O-N 2.82Å
70R37.1Very low52Low226 Ų226128.3 Ų128.385%0.85370%0.702SS**  trans-136.781.3156.4-149.1171.4-167.2169.34.1114.5
71S43Very low50.2Low100 Ų100131.1 Ų131.170%0.69972%0.716SS**  trans-58135.5169.2-490000111.2S73S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 3.48Å
72P47.7Very low49Very low131 Ų131134.4 Ų134.485%0.85173%0.734SS**  trans-77.481.5177.731.4-34.7000111.1
73S42.2Very low47Very low104 Ų104133.1 Ų133.173%0.72774%0.74SS**  trans-66.5134.7168.4-61.90000110.4S71S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 3.48Å
74P49.1Very low45.4Very low106 Ų106130.7 Ų130.769%0.68875%0.748SS**  trans-68.8153.5-178.328.6-35.4000112.1S76P74-S76 PolarHBondContact O-N 3.31Å; P74-S76 VanDerWaalsContact O-N 3.1Å
75P49.4Very low44.6Very low123 Ų123130.4 Ų130.480%0.79976%0.759SS**  trans-65.2112.5179.626.7-34000110.8V77P75-V77 PolarHBondContact O-N 2.99Å; P75-V77 VanDerWaalsContact O-N 3.12Å
76S43Very low44.4Very low123 Ų123132.2 Ų132.286%0.8677%0.773SS**  trans-73.3101.5177.6-650000110.4P74 S78P74-S76 PolarHBondContact O-N 3.31Å; P74-S76 VanDerWaalsContact O-N 3.1Å; S76-S78 PolarHBondContact O-N 2.81Å
77V45.6Very low44.7Very low134 Ų134131.6 Ų131.681%0.81277%0.771SS**PPolyproline II helixtrans-67.4126.5172-71.30000110.3P75P75-V77 PolarHBondContact O-N 2.99Å; P75-V77 VanDerWaalsContact O-N 3.12Å
78S40.9Very low44.8Very low124 Ų124131.6 Ų131.687%0.86777%0.769SS**PPolyproline II helixtrans-66.9141.6177.6-165.90000110.6S76S76-S78 PolarHBondContact O-N 2.81Å
79S43.1Very low45.2Very low109 Ų109130 Ų13076%0.76277%0.765SS**PPolyproline II helixtrans-83.4136.6-171.3-64.80000112.8
80D41.9Very low45.3Very low127 Ų127127 Ų12768%0.67976%0.761SS**  trans-142.687159-129-10.9000115.1
81K49.2Very low45.7Very low171 Ų171125.1 Ų125.174%0.74376%0.759SS**  trans67147.9149.2-58.2170.9-177.186.90120.9
82L55.9Low45.8Very low158 Ų158125.5 Ų125.583%0.82776%0.762SS**  trans86.172.2160.7-48-170.8000120.7
83S40.4Very low45.6Very low117 Ų117126.4 Ų126.482%0.81876%0.76SS**  36.2124.7123.8-49.90000122.7
84S44.4Very low45.7Very low112 Ų112126.3 Ų126.378%0.78376%0.759SS**  -176.6148.3103.546.50000115
85S45.1Very low45.5Very low102 Ų102126.7 Ų126.771%0.71376%0.764SS**  trans23.8124.1158.942.90000121.5
86V44.9Very low45.3Very low130 Ų130127.4 Ų127.479%0.78877%0.766SS**  64.8115.564.5178.20000111.2
87S48.5Very low45.9Very low103 Ų103127.1 Ų127.172%0.7276%0.761SS**  -168.4178.460.6-25.90000109.8
88M46.9Very low45.7Very low151 Ų151128 Ų12874%0.74476%0.762SS**  cis-171.6165.2-15.2-118.7166.868.900110.1
89N48Very low46.5Very low112 Ų112133 Ų13360%0.59976%0.763SS**  trans65.4133.7158.4-68.727.2000119.9
90T44.2Very low46.9Very low104 Ų104138 Ų13864%0.63877%0.765SS**  cis114.5143.912.358.60000113.7
91F46.4Very low47.3Very low186 Ų186139 Ų13982%0.81677%0.766SS**  trans128.9106.8164.8-64.6-47000110.4
92S45.4Very low47.7Very low109 Ų109138.4 Ų138.476%0.76277%0.771SS**  82.5140.976.4-68.30000113.1
93D43.2Very low47.6Very low150 Ų150133.3 Ų133.380%0.80276%0.756SS**  cis-170.7-172.5-15.3-156.1-21.7000108.2
94S43.6Very low48.6Very low102 Ų102136.1 Ų136.171%0.71376%0.759SS**  trans76148.1169.177.50000118.3
95S46.3Very low49.2Very low114 Ų114137.9 Ų137.980%0.79776%0.759SS**  cis-165.1153.3-16.4-99.30000111.1
96T43.5Very low49.5Very low137 Ų137141.1 Ų141.184%0.8477%0.768SS**  trans-124.1156.5167.949.20000111.8
97P57.1Low49.5Very low117 Ų117138.6 Ų138.676%0.7677%0.768SS**  trans-130.3130.5161.835.8-21.4000113.8
98D40.4Very low49.6Very low154 Ų154139.7 Ų139.782%0.82478%0.776SS**  trans-79.4155.8166.3-69.2-64.8000112.1
99Y57.5Low49.4Very low229 Ų229140.5 Ų140.590%0.89878%0.783SS**  trans-135.9127.9157.8-100.3-86.1000113.7
100R52.1Low49.3Very low214 Ų214139.7 Ų139.781%0.80879%0.792SS**  trans-59.8173.1162.1-84.3-172.8160.7106.51.2113.5
101E50.3Low49.2Very low148 Ų148138.3 Ų138.369%0.69280%0.799SS**  cis-179.2115.1-18.7172.9176.3160.200106.8
102D58.3Low49Very low157 Ų157135.6 Ų135.684%0.8480%0.803SS**  trans-157.4145.8169.7-90.2-52.3000106.3
103G52.6Low48.8Very low51 Ų51136 Ų13653%0.52681%0.806SS.*  cis144.4130.72.200000109.5
104M62Low48.8Very low177 Ų177134.2 Ų134.287%0.87281%0.805SS**  trans68.8163.5-176.9-48.8129.8-119.600116.3
105D57.9Low48.8Very low148 Ų148135 Ų13579%0.79181%0.811SS**  -163.4168.8-58.9-164.37.1000107.1
106L50.8Low48.6Very low170 Ų170134.8 Ų134.889%0.8981%0.809SS**  trans-59.6141.2-169.3-60.6164000115.4
107G45.3Very low48.9Very low78 Ų78139.5 Ų139.580%0.80481%0.811SS**  trans-156.2133167.400000110.9
108S50.1Low48.1Very low125 Ų125138.4 Ų138.487%0.87481%0.812SS**  trans-101.9169.8-168.4-57.30000114.8
109D43.4Very low48.3Very low168 Ų168136.8 Ų136.890%0.89881%0.813SS**  trans99153.7144.9-136-13.1000118.5
110A44.4Very low47.5Very low96 Ų96131.2 Ų131.279%0.79381%0.807SS**  trans-96.4141.5-168.800000112.5
111G43.4Very low47.2Very low75 Ų75130 Ų13077%0.77381%0.811SS**  trans-161.993.5178.500000113.1S113G111-S113 PolarHBondContact O-N 3.09Å
112S41.7Very low46.7Very low128 Ų128128.5 Ų128.590%0.89582%0.816SS**  trans-70112170.6-62.20000110.1
113S41.7Very low46.2Very low118 Ų118128.5 Ų128.583%0.82582%0.817SS**  trans-154.7131.7167.7-840000113.9G111G111-S113 PolarHBondContact O-N 3.09Å
114S42.9Very low45.7Very low113 Ų113131.7 Ų131.779%0.7983%0.831SS**  trans-23.9138.7171.2-48.60000118.8
115S43.2Very low45.2Very low119 Ų119129.4 Ų129.483%0.83283%0.827SS**  trans-11395.5156.7-173.90000110.2
116S42.9Very low44.5Very low108 Ų108131.4 Ų131.476%0.75583%0.828SS**  trans-77.5128.5-179.5-54.50000111.6
117R48.8Very low44.7Very low236 Ų236129.3 Ų129.389%0.89182%0.823SS**  trans-130.787164.1-60.6-165.381.9176.74.9110.5
118A40.2Very low44.7Very low94 Ų94131 Ų13178%0.77782%0.818SS**  trans-79.9134.5173.800000111.1
119S45.3Very low44.7Very low121 Ų121130.7 Ų130.785%0.84681%0.812SS**  trans-135.291.5169.6-73.50000109.1
120S39.9Very low44.3Very low111 Ų111128.5 Ų128.578%0.77681%0.809SS**  trans-79.3124.3177.4-53.30000111.1
121Q46.8Very low44.8Very low190 Ų190129.6 Ų129.689%0.88881%0.811SS**  trans-135.5118155.5-69-164.121.800109.4
122S39.1Very low44.5Very low115 Ų115135 Ų13580%0.80482%0.816SS**  trans-97.4129.2178.3-55.30000109.8
123N48.7Very low44.3Very low158 Ų158135.2 Ų135.285%0.84582%0.816SS**  trans-122.1110.2163.5-98.1-31.8000108.9
124S41.4Very low44.3Very low118 Ų118139.3 Ų139.383%0.82582%0.818SS**  trans-124.999.4177.1-172.90000109.3
125T51.8Low43.8Very low129 Ų129139.8 Ų139.879%0.79182%0.822SS**  trans-102.177-178.340.60000110.9V127T125-V127 PolarHBondContact O-N 2.99Å
126K42.9Very low43.8Very low189 Ų189139.5 Ų139.582%0.82282%0.82SS**  trans-71.3112.4172.7176.7-178.2177176.70110.8
127V54.4Low43.7Very low127 Ų127140 Ų14077%0.7782%0.823SS**  trans-135123.8166.7-169.90000109.7T125T125-V127 PolarHBondContact O-N 2.99Å
128T45.3Very low43.1Very low114 Ų114134.2 Ų134.270%0.69982%0.819SS**  trans-146113.5176-50.80000109.2
129P51.2Low43.2Very low117 Ų117135.7 Ų135.776%0.7682%0.821SS**  trans-97.9129.9162.633.6-25.9000110.1
130C34.7Very low42.7Very low122 Ų122133.8 Ų133.882%0.82482%0.821SS**  trans-89.1151.8174.6-55.70000111.3
131S54.8Low42.5Very low119 Ų119131.8 Ų131.883%0.83282%0.818SS**  trans-143.3148.8155.156.10000109.9
132E37.8Very low42Very low190 Ų190128.7 Ų128.789%0.88882%0.817SS**  trans-96.1132.8-164.6-61.1158.685.900112.9
133C37.7Very low42.2Very low131 Ų131131 Ų13189%0.88582%0.819SS**  trans-123.9138.3163-74.20000109.4
134K40Very low42Very low204 Ų204128.1 Ų128.189%0.88780%0.804SS**  trans-89.2150.4-166.6-72.3170.9178.2168.70113.5
135S33.5Very low42.3Very low124 Ų124129.4 Ų129.487%0.86780%0.801SS**  trans-71.6144.2175.5-38.50000113.1
136S42.6Very low42.1Very low112 Ų112128.5 Ų128.578%0.78380%0.795SS**  trans-154.6109.1153600000112.2
137S41.7Very low42.5Very low118 Ų118122.7 Ų122.783%0.82578%0.778SS**  trans26119153.7-48.80000121.3
138S35.2Very low42.2Very low115 Ų115119.6 Ų119.680%0.80477%0.765SS**  trans-70.2154.5151.5-48.80000111.4
139P43.2Very low42.3Very low125 Ų125120.7 Ų120.781%0.81277%0.767SS**  -110.1160.1109.733.3-34.7000110.2
140G34Very low42.3Very low82 Ų82122.2 Ų122.285%0.84576%0.764SS**  cis110.861.617.600000110
141G36.4Very low42.8Very low69 Ų69123.9 Ų123.971%0.71176%0.764SS**  trans-165.6125.6179.500000109.9
142S35.6Very low42.1Very low125 Ų125127 Ų12787%0.87476%0.759SS**  trans-71.1122.1171.949.30000109.4
143L44.5Very low42.3Very low162 Ų162127.5 Ų127.585%0.84876%0.761SS**  trans-112.7117.7169.3-82168.2000109L145L143-L145 PolarHBondContact O-N 2.92Å
144D44.3Very low42.5Very low99 Ų99127.8 Ų127.853%0.52975%0.75SS.*  trans-60.1115.1171.9-175.3-30.6000109.2V146 S147 A148D144-V146 VanDerWaalsContact C-N 3.28Å; D144-V146 PolarHBondContact O-N 2.88Å; D144-V146 WeakPolarHBondContact OD1-CA 3.38Å; D144-V146 WeakPolarHBondContact OD1-CB 3.48Å; D144-V146 PolarHBondContact OD1-N 3.4Å; D144-S147 PolarHBondContact OD1-N 3.32Å; D144-A148 VanDerWaalsContact O-CB 3.22Å; D144-A148 WeakPolarHBondContact O-CB 3.31Å; D144-A148 PolarHBondContact O-N 3.09Å
145L47.4Very low42.5Very low145 Ų145123.6 Ų123.676%0.75974%0.743SS**THydrogen-bonded Turntrans-81.5-7.3-175.4-121165.7000112.9L143L143-L145 PolarHBondContact O-N 2.92Å
146V46.2Very low42.6Very low109 Ų109125.5 Ų125.566%0.66174%0.736SS**THydrogen-bonded Turntrans-86.5-57.4175.3-177.80000109.2D144 A148 L149D144-V146 VanDerWaalsContact C-N 3.28Å; D144-V146 PolarHBondContact O-N 2.88Å; D144-V146 WeakPolarHBondContact OD1-CA 3.38Å; D144-V146 WeakPolarHBondContact OD1-CB 3.48Å; D144-V146 PolarHBondContact OD1-N 3.4Å; V146-A148 PolarHBondContact O-N 3.21Å; V146-L149 PolarHBondContact O-N 3.47Å
147S52.1Low42.6Very low68 Ų68125 Ų12548%0.47673%0.73SS.*G310 helixtrans-72-13.8179.6-71.10000114.3D144 L149 E150D144-S147 PolarHBondContact OD1-N 3.32Å; S147-L149 PolarHBondContact O-N 2.87Å; S147-E150 PolarHBondContact O-N 3.34Å; S147-E150 PolarHBondContact OG-OE2 2.78Å
148A49.1Very low42.5Very low61 Ų61125.7 Ų125.750%0.50473%0.729SS.*G310 helixtrans-70.3-8.3171.700000114.4D144 V146D144-A148 VanDerWaalsContact O-CB 3.22Å; D144-A148 WeakPolarHBondContact O-CB 3.31Å; D144-A148 PolarHBondContact O-N 3.09Å; V146-A148 PolarHBondContact O-N 3.21Å
149L46.8Very low42.6Very low138 Ų138127.6 Ų127.672%0.72372%0.72SS**G310 helixtrans-103.5-7.6176.9-115.570.1000114.2V146 S147V146-L149 PolarHBondContact O-N 3.47Å; S147-L149 PolarHBondContact O-N 2.87Å
150E50.1Low42.5Very low149 Ų149128.1 Ų128.170%0.69671%0.712SS**THydrogen-bonded Turntrans-90.6-4.4-171.7-63.7-177.6115.400114.2S147S147-E150 PolarHBondContact O-N 3.34Å; S147-E150 PolarHBondContact OG-OE2 2.78Å
151D45.9Very low42.8Very low157 Ų157131 Ų13184%0.8470%0.701SS**THydrogen-bonded Turntrans-118.721.7-176.8-152.724.5000113
152Y40.8Very low43.2Very low183 Ų183133.4 Ų133.472%0.71869%0.692SS**  trans-116.557.6178.5-128.3-82.1000112.4E154Y152-E154 HydrophobicContact CD1-CB 4.04Å; Y152-E154 HydrophobicContact CE1-CB 4.2Å; Y152-E154 PolarHBondContact O-N 3.03Å
153E40.9Very low43.4Very low202 Ų202131.3 Ų131.394%0.94467%0.674SS**  trans-72.853.1174.4-161.4-177.9-144.400112.1
154E42.5Very low43.3Very low137 Ų137129.3 Ų129.364%0.6466%0.663SS**  trans-85.1126.5176.4-166.9163.9-143.100110.7Y152 F156Y152-E154 HydrophobicContact CD1-CB 4.04Å; Y152-E154 HydrophobicContact CE1-CB 4.2Å; Y152-E154 PolarHBondContact O-N 3.03Å; E154-F156 PolarHBondContact O-N 2.73Å; E154-F156 VanDerWaalsContact O-N 3.1Å
155P40Very low43.2Very low116 Ų116128.8 Ų128.875%0.75366%0.66SS**  trans-59.7114.1-170.5-29.336.7000115.1P157P155-P157 WeakPolarHBondContact O-CD 3.26Å
156F34.9Very low43.2Very low164 Ų164129.1 Ų129.172%0.71966%0.657SS**  trans-47.8122.2177.2-108.3-107000112.8E154 V158E154-F156 PolarHBondContact O-N 2.73Å; E154-F156 VanDerWaalsContact O-N 3.1Å; F156-V158 PolarHBondContact O-N 2.94Å
157P42.7Very low42.9Very low101 Ų101133.6 Ų133.666%0.65666%0.662SS**  trans-58.2133.3173.1-26.735.8000112P155 Y159P155-P157 WeakPolarHBondContact O-CD 3.26Å; P157-Y159 PolarHBondContact O-N 2.86Å
158V40.9Very low42.3Very low133 Ų133132.9 Ų132.981%0.80666%0.661SS**THydrogen-bonded Turntrans-78.253.8-166.2-164.90000112.9F156F156-V158 PolarHBondContact O-N 2.94Å
159Y36.5Very low42Very low154 Ų154135.4 Ų135.460%0.60467%0.672SS**THydrogen-bonded Turntrans-118.3-22.9-174.7-88.7-82.4000115.1P157P157-Y159 PolarHBondContact O-N 2.86Å
160Q40.2Very low42.1Very low136 Ų136137.2 Ų137.264%0.63668%0.677SS**SBendtrans-80-25.8-176.3-71.2-169.1-6.500114.8K162 V163Q160-K162 PolarHBondContact O-N 3.08Å; Q160-V163 PolarHBondContact O-N 3.19Å
161K42.1Very low41.8Very low142 Ų142139.2 Ų139.262%0.61769%0.686SS**Hα-helixtrans-63.1-38.8-179178.3158.51801640113V163 I164 D165K161-V163 VanDerWaalsContact C-N 3.25Å; K161-V163 PolarHBondContact O-N 3.13Å; K161-I164 PolarHBondContact O-N 2.94Å; K161-D165 VanDerWaalsContact CE-CG 3.44Å; K161-D165 WeakPolarHBondContact CE-OD1 3.23Å; K161-D165 WeakPolarHBondContact CE-OD2 3.18Å; K161-D165 VanDerWaalsContact CG-OD2 3.3Å; K161-D165 WeakPolarHBondContact CG-OD2 3.46Å; K161-D165 PolarHBondContact O-N 3.39Å
162K43.3Very low41.5Very low120 Ų120138.8 Ų138.852%0.52268%0.684SS.*Hα-helixtrans-61.4-29.6-179.1-66.7-172.1175.9-172.50113.9H26 Q160 I164 E166H26-K162 PolarHBondContact CD2-NZ 2.93Å; Q160-K162 PolarHBondContact O-N 3.08Å; K162-I164 VanDerWaalsContact C-N 3.26Å; K162-I164 PolarHBondContact O-N 3.34Å; K162-E166 WeakPolarHBondContact O-CB 3.47Å; K162-E166 PolarHBondContact O-N 2.9Å
163V40.8Very low41.5Very low82 Ų82133.3 Ų133.350%0.49768%0.683SS.*Hα-helixtrans-74.7-19.5179.2-177.50000112.1Q160 K161Q160-V163 PolarHBondContact O-N 3.19Å; K161-V163 VanDerWaalsContact C-N 3.25Å; K161-V163 PolarHBondContact O-N 3.13Å
164I42.3Very low41.2Very low120 Ų120132.7 Ų132.762%0.61568%0.68SS**Hα-helixtrans-90.6-47.1175.5-59.7174.2000109.2K161 K162 E166 W167 A168K161-I164 PolarHBondContact O-N 2.94Å; K162-I164 VanDerWaalsContact C-N 3.26Å; K162-I164 PolarHBondContact O-N 3.34Å; I164-E166 PolarHBondContact O-N 3.32Å; I164-W167 PolarHBondContact O-N 2.93Å; I164-A168 PolarHBondContact O-N 3.02Å
165D41.9Very low41.1Very low88 Ų88134.6 Ų134.647%0.47169%0.689SS.*Hα-helixtrans-62.7-25.2177.2-61.2-8.3000112.7K161K161-D165 VanDerWaalsContact CE-CG 3.44Å; K161-D165 WeakPolarHBondContact CE-OD1 3.23Å; K161-D165 WeakPolarHBondContact CE-OD2 3.18Å; K161-D165 VanDerWaalsContact CG-OD2 3.3Å; K161-D165 WeakPolarHBondContact CG-OD2 3.46Å; K161-D165 PolarHBondContact O-N 3.39Å
166E47.2Very low40.9Very low151 Ų151138.2 Ų138.271%0.70670%0.696SS**THydrogen-bonded Turntrans-79-14.2175-175.6178.8-146.200113.9K162 I164K162-E166 WeakPolarHBondContact O-CB 3.47Å; K162-E166 PolarHBondContact O-N 2.9Å; I164-E166 PolarHBondContact O-N 3.32Å
167W40.9Very low40.9Very low203 Ų203139 Ų13977%0.76970%0.702SS**THydrogen-bonded Turntrans-121.4-6.5-177.1-75.977.5000114.4I164I164-W167 PolarHBondContact O-N 2.93Å
168A37.5Very low40.8Very low54 Ų54143.4 Ų143.445%0.44671%0.713SS.*SBendtrans-65.5138.4158.800000109.1I164I164-A168 PolarHBondContact O-N 3.02Å
169P44.4Very low40.4Very low114 Ų114146.6 Ų146.674%0.7472%0.719SS**PPolyproline II helixtrans-56.5139.4151.6-12.528.1000107.4E171P169-E171 PolarHBondContact O-N 3.2Å
170E47.5Very low40.6Very low176 Ų176145.2 Ų145.282%0.82272%0.723SS**PPolyproline II helixtrans-63.8116.7166.6-60.8-145.5134.200107.2D172E170-D172 VanDerWaalsContact C-N 3.25Å; E170-D172 PolarHBondContact O-N 3.43Å
171E45.1Very low40.4Very low191 Ų191145.3 Ų145.389%0.89373%0.727SS**  trans-70.291.4169.2-69.1-175.2149.200106.3P169 G173P169-E171 PolarHBondContact O-N 3.2Å; E171-G173 PolarHBondContact O-N 2.87Å
172D39.3Very low40.7Very low148 Ų148148.3 Ų148.379%0.79174%0.735SS**  trans-47.4107.7173.1-79.4-48000108.3E170 E174E170-D172 VanDerWaalsContact C-N 3.25Å; E170-D172 PolarHBondContact O-N 3.43Å; D172-E174 PolarHBondContact O-N 2.78Å; D172-E174 VanDerWaalsContact O-N 3.12Å
173G39.8Very low40.5Very low67 Ų67145.8 Ų145.869%0.69174%0.743SS**  trans-64.1115.2-173.700000110.6E171 E175E171-G173 PolarHBondContact O-N 2.87Å; G173-E175 VanDerWaalsContact C-N 3.33Å; G173-E175 PolarHBondContact O-N 2.92Å
174E36Very low40.3Very low189 Ų189151 Ų15188%0.88376%0.755SS**  trans-66.989.9175.2-64.1-175175.900109.5D172 E176D172-E174 PolarHBondContact O-N 2.78Å; D172-E174 VanDerWaalsContact O-N 3.12Å; E174-E176 PolarHBondContact O-N 2.64Å
175E38.9Very low40.4Very low178 Ų178155 Ų15583%0.83276%0.762SS**  trans-68.2111.5167.3-67.8-166.6162.100108.6G173 E177G173-E175 VanDerWaalsContact C-N 3.33Å; G173-E175 PolarHBondContact O-N 2.92Å; E175-E177 PolarHBondContact O-N 2.67Å
176E35.7Very low40.2Very low191 Ų191156.8 Ų156.889%0.89377%0.772SS**  trans-67.685.5178.4-65.5-176148.400111.1E174 E178E174-E176 PolarHBondContact O-N 2.64Å; E176-E178 PolarHBondContact O-N 3.04Å
177E35.9Very low40.1Very low181 Ų181157.2 Ų157.285%0.84678%0.779SS**  trans-72.4111.5167.8-70-160.2143.700110.6E175E175-E177 PolarHBondContact O-N 2.67Å
178E39.7Very low39.9Very low193 Ų193151.4 Ų151.490%0.90278%0.782SS**  trans-64.1134176.8-66.5-172.8127.100112.5E176 D180E176-E178 PolarHBondContact O-N 3.04Å; E178-D180 PolarHBondContact O-N 3.01Å
179E34.1Very low39.9Very low200 Ų200155 Ų15594%0.93580%0.802SS**  trans-69.6110.9170.5-67.1-174.6114.600112
180D39.1Very low39.9Very low126 Ų126155 Ų15567%0.67480%0.802SS**  trans-105.899.5156.2-168.76.1000110.4E178 R182E178-D180 PolarHBondContact O-N 3.01Å; D180-R182 PolarHBondContact O-N 2.79Å; D180-R182 VanDerWaalsContact O-N 3.17Å; D180-R182 IonicContact OD1-CZ 3.72Å; D180-R182 IonicContact OD1-NE 3.68Å; D180-R182 IonicContact OD1-NH2 2.86Å; D180-R182 PolarHBondContact OD1-NH2 2.97Å
181D37.7Very low39.3Very low137 Ų137150.9 Ų150.973%0.73380%0.798SS**  trans-62.1110.5174.2167.835.4000111.5
182R47.1Very low39.1Very low206 Ų206153.4 Ų153.478%0.77780%0.8SS**  trans-15782.1159.2-121.6153-67.7-130.54.5117.4D180D180-R182 PolarHBondContact O-N 2.79Å; D180-R182 VanDerWaalsContact O-N 3.17Å; D180-R182 IonicContact OD1-CZ 3.72Å; D180-R182 IonicContact OD1-NE 3.68Å; D180-R182 IonicContact OD1-NH2 2.86Å; D180-R182 PolarHBondContact OD1-NH2 2.97Å
183G39Very low39Very low66 Ų66154.3 Ų154.368%0.6880%0.799SS**  51.584.312600000121
184Y37.1Very low39.3Very low193 Ų193156.5 Ų156.576%0.75780%0.801SS**  35.6115.7127.3-141.9-64.6000119.9
185R44.8Very low39.6Very low203 Ų203151.3 Ų151.377%0.76680%0.799SS**  trans162.1105.3140-78.6-99178.3-81.1-20.4107.7
186D37.5Very low39.5Very low125 Ų125149.8 Ų149.867%0.66880%0.796SS**  86.3144.864.8-160.513.6000113.3
187D44Very low40Very low160 Ų160147.8 Ų147.886%0.85680%0.796SS**  trans63.7132.1-173.9-84.3-51.5000120.6
188G38.5Very low40Very low81 Ų81144.5 Ų144.584%0.83579%0.793SS**  trans123.889147.400000120.1
189C36.9Very low40Very low129 Ų129139.9 Ų139.987%0.87279%0.789SS**  trans-126.4168.2167.1-113.10000109.6
190P43.5Very low40.2Very low114 Ų114141 Ų14174%0.7478%0.784SS**  cis-140.9-175-13.141-22.3000115.7
191A35.5Very low40Very low90 Ų90142.7 Ų142.774%0.74479%0.792SS**  trans74.2124144.800000123.5
192R41.7Very low40Very low245 Ų245139.8 Ų139.893%0.92579%0.794SS**  -176.3131.9113.2-104.3174.5173.9-105.5-2.5116
193E35.8Very low39.5Very low167 Ų167135.3 Ų135.378%0.7879%0.794SS**  trans-89.8178.7160.2-89.1-90.591.100110.8
194P46.9Very low39.2Very low113 Ų113137.5 Ų137.573%0.73480%0.799SS**  cis-128.2-169.5-25.233.3-14000112.2
195G41.6Very low39.1Very low80 Ų80132 Ų13283%0.82580%0.801SS**  trans-159.5114172.800000116.6
196D36.9Very low38.8Very low146 Ų146128.1 Ų128.178%0.78181%0.805SS**  trans-83.3155.2178.7-142.9-35.4000113
197V45.9Very low38.7Very low148 Ų148125.8 Ų125.890%0.89781%0.81SS**  -177.8143.3126.3-90.70000113.8
198S37Very low38.7Very low112 Ų112123.2 Ų123.278%0.78381%0.805SS**  trans-95.7147.6176.3-67.10000115
199A39.9Very low39Very low97 Ų97130.3 Ų130.380%0.80281%0.807SS**  trans177.5159.7143.400000112.2
200R37.8Very low39.1Very low223 Ų223129.4 Ų129.484%0.84280%0.802SS**  cis175.7153.2-41.1-119-172.7-174.9-155.63.2108.2
201I36Very low39Very low162 Ų162128.2 Ų128.283%0.83180%0.802SS**  trans74.5132.7161-58.5150.8000117.1
202G36.1Very low38.9Very low76 Ų76128.3 Ų128.378%0.78480%0.803SS**  trans173.366.8174.400000117.7
203S37.1Very low39Very low112 Ų112123.6 Ų123.678%0.78380%0.801SS**  trans-40.5165.3162.9-55.60000116.8
204S33.2Very low39Very low111 Ų111121.7 Ų121.778%0.77680%0.801SS**  cis178140.5-17550000111.3
205G35.2Very low38.7Very low77 Ų77124 Ų12479%0.79480%0.804SS**  trans75.6175.6161.900000117.2
206S37.5Very low38.8Very low122 Ų122125.4 Ų125.485%0.85380%0.798SS**  cis-166.5134.3-12.353.90000113.2
207G36.4Very low39Very low76 Ų76123.9 Ų123.978%0.78480%0.799SS**  trans79.7174163.100000117
208S42.8Very low39.3Very low107 Ų107122.6 Ų122.675%0.74879%0.794SS**  cis-169.3147.2-4.3-141.50000113.5
209R44.7Very low40Very low229 Ų229124.6 Ų124.686%0.86479%0.793SS**  trans69.5162.2160.3-56.9162.275.7-171.65.2116.3
210S38.9Very low40Very low110 Ų110126 Ų12677%0.76979%0.794SS**  cis-175.6166.4-25.8-80.70000106.8
211A41.9Very low40.1Very low89 Ų89121.9 Ų121.974%0.73679%0.789SS**  cis-151.7148.16.700000109.7
212A34.1Very low40.2Very low93 Ų93117.7 Ų117.777%0.76979%0.785SS**  65.3116.798.300000118.6
213T43.4Very low40Very low145 Ų145121 Ų12189%0.8979%0.785SS**  trans-164.4112.6141.3-780000113.2
214T34.9Very low40Very low127 Ų127124.1 Ų124.178%0.77979%0.792SS**  trans-36.6152.8157.7-57.80000115.6
215M41.4Very low40.3Very low163 Ų163125.2 Ų125.280%0.80378%0.784SS**  cis175.3-175.2-17.5-91.4-114.1-67.100105.7
216P43.7Very low40.3Very low108 Ų108127.1 Ų127.170%0.70178%0.783SS**  cis-128.8-175.9-8.241.2-24.5000114.5
217S41.8Very low40.4Very low114 Ų114128.6 Ų128.680%0.79778%0.776SS**  trans-89156177.2-34.30000115.2
218P52Low40.3Very low121 Ų121132 Ų13279%0.78678%0.776SS**  trans-105.7120.716234.9-26.4000114
219M52Low40.2Very low154 Ų154131.2 Ų131.276%0.75977%0.768SS**  trans31.2122.4148.9-55.6-169.772.400122.3
220P39.9Very low40Very low128 Ų128128.2 Ų128.283%0.83176%0.764SS**  trans-86.2132.6142.834.1-28.1000110.4
221N39.3Very low40Very low136 Ų136128.4 Ų128.473%0.72776%0.757SS**  trans-158.5131163-146.1-1.5000111.9
222G38.3Very low40.2Very low73 Ų73132.8 Ų132.875%0.75377%0.767SS**  trans-176.732.8-17200000114.2L224G222-L224 PolarHBondContact O-N 2.94Å
223N31.3Very low40.6Very low147 Ų147137 Ų13779%0.78676%0.763SS**  trans-64.5124.8179.6-80.3-27000111.6
224L37.8Very low40.7Very low176 Ų176137.4 Ų137.492%0.92175%0.754SS**  trans-115.7133.2150.6-76.3175.7000109.1G222G222-L224 PolarHBondContact O-N 2.94Å
225H38.3Very low41.1Very low134 Ų134139 Ų13962%0.6276%0.758SS**  trans-92.6130.6-158.6-164.6-46.1000111H227H225-H227 AromaticContact CD2-NE2 3.79Å; H225-H227 AromaticContact CG-CD2 3.84Å; H225-H227 AromaticContact CG-NE2 3.74Å; H225-H227 AromaticContact ND1-CD2 3.96Å; H225-H227 PolarHBondContact O-N 3.24Å; H225-H227 VanDerWaalsContact O-N 3.17Å
226P36Very low41.1Very low118 Ų118134.3 Ų134.377%0.76675%0.752SS**  trans-69.7110.2164.328.7-31.1000108.1
227H39.7Very low41.2Very low153 Ų153137.4 Ų137.471%0.70876%0.762SS**  trans-102.3109179.5-96.5-69.2000111.5H225H225-H227 AromaticContact CD2-NE2 3.79Å; H225-H227 AromaticContact CG-CD2 3.84Å; H225-H227 AromaticContact CG-NE2 3.74Å; H225-H227 AromaticContact ND1-CD2 3.96Å; H225-H227 PolarHBondContact O-N 3.24Å; H225-H227 VanDerWaalsContact O-N 3.17Å
228D34.3Very low41Very low147 Ų147138.2 Ų138.279%0.78676%0.762SS**  trans-123.6127.8148.8-177.618.1000104.8Q230D228-Q230 PolarHBondContact OD1-N 3.44Å
229P40.7Very low40.4Very low90 Ų90138.7 Ų138.758%0.58476%0.763SS**  -149.3149.6106.337.1-19.9000116.7
230Q41Very low39.9Very low167 Ų167137.2 Ų137.278%0.7876%0.762SS**  trans86.5130.3135.9-76.8161.420.900122.2D228D228-Q230 PolarHBondContact OD1-N 3.44Å
231D38.8Very low39.7Very low113 Ų113136.1 Ų136.160%0.60476%0.764SS**  trans54.494.9147.3-76.2-62.6000120.3R233D231-R233 IonicContact OD1-NE 3.83Å
232L44.8Very low39.5Very low181 Ų181133.3 Ų133.395%0.94877%0.767SS**  -137.1155.9115.7-138.371.8000110.9
233R42.2Very low39.6Very low183 Ų183141.7 Ų141.769%0.69178%0.776SS**  trans-117.8161.7-157.8-65.9171.3153.3-143.1-4.9113.8D231D231-R233 IonicContact OD1-NE 3.83Å
234H47.2Very low40Very low153 Ų153140.6 Ų140.671%0.70878%0.777SS**  trans72.8124.9169.1-44.8-72.6000113.8
235N41.4Very low39.9Very low159 Ų159140.4 Ų140.485%0.8578%0.776SS**  cis-138.615622.2-75-58.5000112.2
236G41.5Very low39.8Very low66 Ų66138.1 Ų138.168%0.6878%0.781SS**  trans-105156.1170.600000112.8
237N46.1Very low40Very low172 Ų172137.2 Ų137.292%0.9278%0.778SS**  trans-161.3128.7137.2-102.3-18.5000110.3
238V37.7Very low40Very low132 Ų132140.3 Ų140.380%0.878%0.783SS**  trans-123.1138.1171.1172.50000106.6
239V40.3Very low40.5Very low131 Ų131139.3 Ų139.379%0.79478%0.782SS**  trans174.3105.7139.9149.40000110.9
240V40.6Very low40.7Very low123 Ų123139.8 Ų139.875%0.74579%0.785SS**  trans37.8115.1130.8-174.60000120.5
241A36.5Very low40.7Very low105 Ų105143 Ų14387%0.86879%0.79SS**  trans55138.2139.800000123
242G35.3Very low41Very low77 Ų77148.9 Ų148.979%0.79480%0.804SS**  trans166128.8163.300000112.3
243R40.5Very low40.7Very low249 Ų249145.5 Ų145.594%0.9479%0.793SS**  trans-78.3154.5176.1-99.9-173170.4-158.4-2.2111.7
244P39.7Very low40.7Very low123 Ų123143.8 Ų143.880%0.79980%0.796SS**  trans-80.3157.1-165.633.1-37.5000113.8
245N36.3Very low40.4Very low172 Ų172143.4 Ų143.492%0.9279%0.794SS**  trans-153.6159.1160.7-142.2-27.8000112.2
246A34.5Very low40.1Very low87 Ų87143.5 Ų143.572%0.71979%0.787SS**  trans-90.4163.4-161.200000116.4
247S40.7Very low39.8Very low99 Ų99145.9 Ų145.969%0.69279%0.788SS**  trans-166.3149170.4-86.40000108.3
248R40.1Very low39.6Very low217 Ų217146.3 Ų146.382%0.81979%0.785SS**  cis-158.2140.61.4-106.9161.2-162.1-151.31106.9
249V44.4Very low40.2Very low127 Ų127144.8 Ų144.877%0.7778%0.778SS**  62.7139.5871690000112.5
250P45.6Very low40.5Very low99 Ų99144.6 Ų144.664%0.64378%0.779SS**  cis-147.7151.528.728.6-2.8000121.8
251R41.5Very low40.6Very low235 Ų235141.8 Ų141.889%0.88778%0.775SS**  trans68.5165.7137.7-63.5170.8176.3177.1-3.6118.5
252R43.1Very low40.9Very low236 Ų236141.5 Ų141.589%0.89177%0.767SS**  cis-130.7166.912.9-79.2-173.8178.3-142.41.8113.8
253P39.2Very low41.4Very low110 Ų110148.5 Ų148.571%0.71477%0.769SS**  trans-113.6173.5-177.142-33.3000115.1
254I42.3Very low41.5Very low147 Ų147148.6 Ų148.675%0.75477%0.769SS**  trans174.1133.1133.8-93.1156.9000113.7
255Q41.6Very low41.6Very low146 Ų146146.6 Ų146.668%0.68277%0.772SS**  trans19.4156.2142.4-39.1177.348.100121.3
256K34.7Very low41.9Very low161 Ų161142 Ų14270%0.777%0.765SS**  cis-172.9154.916.4-140.9170.7-174.2152.40113.1
257T35.8Very low42.4Very low115 Ų115149.1 Ų149.171%0.70677%0.773SS**  trans40.5149.3144.246.80000123.7
258Q40.4Very low42.4Very low182 Ų182151.3 Ų151.385%0.8578%0.777SS**  cis-170.4-165.7-20-123.9-148.2-12.400110
259P51.7Low42.4Very low99 Ų99152.6 Ų152.664%0.64378%0.782SS**  trans-108.3-163.4-154.948.1-39.1000114.4
260P45.9Very low42.2Very low128 Ų128150.9 Ų150.983%0.83178%0.781SS**  -141.7-178.173.732.4-10.6000114
261G41.9Very low42.2Very low64 Ų64152.2 Ų152.266%0.6679%0.793SS**  cis156.2175.7-6.300000112.7
262S43.9Very low42Very low98 Ų98145.1 Ų145.169%0.68579%0.793SS**  trans74.6145.1-177.8-59.60000116.3
263R45.1Very low41.6Very low225 Ų225137.3 Ų137.385%0.84979%0.786SS**  cis-161.6172-2.6-109.5161.2-129.3-164.32.2107.5
264R43.5Very low41.5Very low250 Ų250140.5 Ų140.594%0.94380%0.796SS**  cis-142.4-41.48.5-161.3-178.1-179.1-167.80.8115.9
265G41.4Very low41Very low82 Ų82139 Ų13985%0.84580%0.797SS**  trans161.3174.5-173.100000113.7
266G43.2Very low40.9Very low76 Ų76139.5 Ų139.578%0.78480%0.804SS**  cis169.9176.5-4.500000114.3
267R44.1Very low41.1Very low235 Ų235140.6 Ų140.689%0.88781%0.811SS**  trans94.690.5175.4-69-175.1146-175.7-6.4120.7
268N41Very low41.6Very low145 Ų145140.8 Ų140.878%0.77581%0.814SS**  56.297.7113.8-53.74.8000122.6
269R41Very low41.9Very low245 Ų245138.1 Ų138.193%0.92581%0.813SS**  162.2125.5116.9-89.4-178.7173.5-173.2-1.9107.8
270A40.1Very low41.3Very low91 Ų91141.4 Ų141.475%0.75283%0.825SS**  cis88.5124.644.200000113.9
271S44.8Very low41Very low126 Ų126139.4 Ų139.488%0.88183%0.827SS**  trans76.586.8167.6-57.30000120
272G36.5Very low41.1Very low87 Ų87139.5 Ų139.590%0.89783%0.828SS**  92151.8127.300000119
273G35.5Very low40.6Very low72 Ų72141.9 Ų141.974%0.74284%0.839SS**  trans11079.6162.900000117.2
274L36.1Very low40.4Very low176 Ų176141.7 Ų141.792%0.92184%0.839SS**  trans56.5140.8141-59.4170.9000122.2
275C32.1Very low40.7Very low115 Ų115135.7 Ų135.778%0.77783%0.829SS**  trans89.7153.8146.1-138.90000120.4
276L39.9Very low41.2Very low158 Ų158137.7 Ų137.783%0.82783%0.827SS**  trans69.4117.4169.4-52.2-177.5000119.1
277Q39.6Very low41.2Very low184 Ų184141.7 Ų141.786%0.8683%0.825SS**PPolyproline II helixtrans-83.1149.3157.5-61176.462.300109.8
278P46.3Very low41.1Very low118 Ų118138.9 Ų138.977%0.76682%0.822SS**PPolyproline II helixtrans-84.3138150.833.8-29000110.3
279P45.6Very low42.1Very low126 Ų126137 Ų13782%0.81882%0.818SS**PPolyproline II helixtrans-87.8148.8178.134.2-34000112.9
280D40.5Very low42.9Very low169 Ų169130.9 Ų130.990%0.90481%0.81SS**PPolyproline II helixtrans-75.9147.5166.6-101-50000111.7
281G38.3Very low43.5Very low85 Ų85130.6 Ų130.688%0.87681%0.808SS**PPolyproline II helixtrans-82.5118.2-172.300000114.2
282G43.9Very low44.4Very low66 Ų66130.2 Ų130.268%0.6880%0.803SS**  trans-108.5136.4165.600000111.7R284G282-R284 PolarHBondContact O-N 3Å
283T34.3Very low45.9Very low149 Ų149132 Ų13291%0.91480%0.798SS**PPolyproline II helixtrans-57.5122.9-179-51.60000112.1
284R39.6Very low47.7Very low221 Ų221134.3 Ų134.383%0.83479%0.791SS**PPolyproline II helixtrans-91.8128.2169.7-89.8-171.9166.8-147.5-8.2111.3G282G282-R284 PolarHBondContact O-N 3Å
285V51.4Low49.7Very low124 Ų124130.5 Ų130.575%0.75277%0.772SS**PPolyproline II helixtrans-75.8145.8151.6179.80000107.5E287V285-E287 PolarHBondContact O-N 3.45Å
286P51.4Low52.1Low123 Ų123133 Ų13380%0.79977%0.765SS**PPolyproline II helixtrans-63124.8171.4-20.633.5000110.8
287E42.8Very low54.1Low160 Ų160133.1 Ų133.175%0.74876%0.761SS**PPolyproline II helixtrans-83.9125.8169.6-177.2178-169.900108.3V285V285-E287 PolarHBondContact O-N 3.45Å
288E41.6Very low56.1Low176 Ų176126.7 Ų126.782%0.82274%0.74SS**PPolyproline II helixtrans-69.4128.6173.2-172.1177.8167.600109
289P62.5Low57.9Low106 Ų106125.2 Ų125.269%0.68873%0.725SS**PPolyproline II helixtrans-66.7128.4-175.626.7-33.7000110.1A291P289-A291 PolarHBondContact O-N 3.15Å
290P57.7Low59.6Low117 Ų117125.6 Ų125.676%0.7672%0.716SS**PPolyproline II helixtrans-61.2129.7177.525.4-33.6000109.6
291A53.4Low62Low85 Ų85125.6 Ų125.670%0.70271%0.708SS**PPolyproline II helixtrans-54.5142177.500000110.5P289P289-A291 PolarHBondContact O-N 3.15Å
292P64.4Low64.2Low118 Ų118127.6 Ų127.677%0.76669%0.694SS**PPolyproline II helixtrans-57.7135.518024.7-33.9000109.7M294P292-M294 PolarHBondContact O-N 3.36Å
293P66.2Low66Low124 Ų124129.9 Ų129.981%0.80569%0.69SS**PPolyproline II helixtrans-60.4125.2-17724.5-33.4000109.7D295P293-D295 PolarHBondContact O-N 3.43Å; P293-D295 VanDerWaalsContact O-N 3.15Å
294M73.7Confident68.4Low120 Ų120124.7 Ų124.759%0.59166%0.662SS**PPolyproline II helixtrans-61.5116.4175.8-172.867.670.900108.8P292 W296P292-M294 PolarHBondContact O-N 3.36Å; M294-W296 HydrophobicContact CB-CZ2 4.18Å; M294-W296 HydrophobicContact CG-CD2 4.26Å; M294-W296 HydrophobicContact CG-CE3 4.33Å; M294-W296 HydrophobicContact CG-CH2 4.27Å; M294-W296 HydrophobicContact CG-CZ2 4.19Å; M294-W296 HydrophobicContact CG-CZ3 4.34Å; M294-W296 VanDerWaalsContact O-CD1 3.26Å; M294-W296 PolarHBondContact O-N 2.97Å; M294-W296 PolarHBondContact O-NE1 2.92Å
295D79.4Confident70.7Confident96 Ų96116.1 Ų116.151%0.51364%0.642SS.*  trans-76.292.8176.1-175.4-13.8000109.1P293 E297 A298 L299P293-D295 PolarHBondContact O-N 3.43Å; P293-D295 VanDerWaalsContact O-N 3.15Å; D295-E297 VanDerWaalsContact C-N 3.27Å; D295-E297 PolarHBondContact O-N 2.97Å; D295-E297 PolarHBondContact OD1-N 2.66Å; D295-E297 VanDerWaalsContact OD1-N 3.1Å; D295-A298 HydrophobicContact CB-CB 3.9Å; D295-A298 VanDerWaalsContact CG-CB 3.41Å; D295-A298 PolarHBondContact O-N 2.98Å; D295-A298 PolarHBondContact OD1-N 2.77Å; D295-A298 WeakPolarHBondContact OD2-CB 3.37Å; D295-L299 PolarHBondContact O-N 3.07Å
296W82.2Confident72.2Confident169 Ų169114.2 Ų114.264%0.6463%0.627SS**Hα-helixtrans-63.9-31.5178.8-59105.1000112.2M294 L299 E300M294-W296 HydrophobicContact CB-CZ2 4.18Å; M294-W296 HydrophobicContact CG-CD2 4.26Å; M294-W296 HydrophobicContact CG-CE3 4.33Å; M294-W296 HydrophobicContact CG-CH2 4.27Å; M294-W296 HydrophobicContact CG-CZ2 4.19Å; M294-W296 HydrophobicContact CG-CZ3 4.34Å; M294-W296 VanDerWaalsContact O-CD1 3.26Å; M294-W296 PolarHBondContact O-N 2.97Å; M294-W296 PolarHBondContact O-NE1 2.92Å; W296-L299 HydrophobicContact CE3-CD2 3.92Å; W296-L299 HydrophobicContact CZ3-CD2 4.02Å; W296-L299 PolarHBondContact O-N 2.89Å; W296-E300 WeakPolarHBondContact O-CB 3.18Å; W296-E300 WeakPolarHBondContact O-CG 3.36Å; W296-E300 PolarHBondContact O-N 3.34Å
297E81.8Confident73.4Confident159 Ų159114.4 Ų114.474%0.74362%0.618SS**Hα-helixtrans-68.7-40.7176.9-61.9-176.8-16800110.8D295 K301D295-E297 VanDerWaalsContact C-N 3.27Å; D295-E297 PolarHBondContact O-N 2.97Å; D295-E297 PolarHBondContact OD1-N 2.66Å; D295-E297 VanDerWaalsContact OD1-N 3.1Å; E297-K301 WeakPolarHBondContact O-CB 3.34Å; E297-K301 PolarHBondContact O-N 3.22Å
298A82.2Confident75Confident50 Ų50114.5 Ų114.541%0.41362%0.616SS.*Hα-helixtrans-65.7-38.6172.400000112.4D295 H302D295-A298 HydrophobicContact CB-CB 3.9Å; D295-A298 VanDerWaalsContact CG-CB 3.41Å; D295-A298 PolarHBondContact O-N 2.98Å; D295-A298 PolarHBondContact OD1-N 2.77Å; D295-A298 WeakPolarHBondContact OD2-CB 3.37Å; A298-H302 WeakPolarHBondContact O-CB 3.47Å; A298-H302 PolarHBondContact O-N 3.15Å
299L83Confident76.9Confident87 Ų87114.4 Ų114.446%0.45561%0.608SS.*Hα-helixtrans-65.7-50176.6-167.287.5000111.6D295 W296 K301 H302 L303D295-L299 PolarHBondContact O-N 3.07Å; W296-L299 HydrophobicContact CE3-CD2 3.92Å; W296-L299 HydrophobicContact CZ3-CD2 4.02Å; W296-L299 PolarHBondContact O-N 2.89Å; L299-K301 VanDerWaalsContact C-N 3.35Å; L299-K301 PolarHBondContact O-N 3.47Å; L299-H302 PolarHBondContact O-N 3.23Å; L299-L303 WeakPolarHBondContact O-CB 3.29Å; L299-L303 PolarHBondContact O-N 3.23Å
300E82.3Confident77.6Confident133 Ų133114.9 Ų114.962%0.62160%0.601SS**Hα-helixtrans-61.6-42.4177.8-75.7179.4-176.200111.3W296 H302 L303 A304W296-E300 WeakPolarHBondContact O-CB 3.18Å; W296-E300 WeakPolarHBondContact O-CG 3.36Å; W296-E300 PolarHBondContact O-N 3.34Å; E300-H302 VanDerWaalsContact C-N 3.33Å; E300-H302 PolarHBondContact O-N 2.94Å; E300-L303 PolarHBondContact O-N 3.49Å; E300-A304 WeakPolarHBondContact O-CB 3.45Å; E300-A304 PolarHBondContact O-N 3.44Å
301K89.5Confident78.3Confident170 Ų170114.2 Ų114.274%0.73959%0.588SS**Hα-helixtrans-63.2-37.4174.7-176175.6-179.2177.10112.7E297 L299 G305E297-K301 WeakPolarHBondContact O-CB 3.34Å; E297-K301 PolarHBondContact O-N 3.22Å; L299-K301 VanDerWaalsContact C-N 3.35Å; L299-K301 PolarHBondContact O-N 3.47Å; K301-G305 PolarHBondContact O-N 2.93Å
302H84.3Confident79.3Confident127 Ų127115.6 Ų115.659%0.58858%0.58SS**Hα-helixtrans-69-41.8174.1-172.272000111.5A298 L299 E300 G305 L306A298-H302 WeakPolarHBondContact O-CB 3.47Å; A298-H302 PolarHBondContact O-N 3.15Å; L299-H302 PolarHBondContact O-N 3.23Å; E300-H302 VanDerWaalsContact C-N 3.33Å; E300-H302 PolarHBondContact O-N 2.94Å; H302-G305 PolarHBondContact O-N 3.08Å; H302-L306 WeakPolarHBondContact O-CG 3.38Å; H302-L306 PolarHBondContact O-N 2.87Å
303L82.8Confident79.6Confident114 Ų114114.2 Ų114.260%0.59757%0.569SS**Hα-helixtrans-66.1-42.8178.8-16270.1000111.7L299 E300 L306 Q307L299-L303 WeakPolarHBondContact O-CB 3.29Å; L299-L303 PolarHBondContact O-N 3.23Å; E300-L303 PolarHBondContact O-N 3.49Å; L303-L306 PolarHBondContact O-N 3.28Å; L303-Q307 WeakPolarHBondContact O-CB 3.42Å; L303-Q307 PolarHBondContact O-N 3.34Å
304A84.6Confident79.4Confident39 Ų39115.4 Ų115.432%0.32256%0.558SS.*Hα-helixtrans-61.5-43.3171.600000111.5E300 L306 Q307 F308E300-A304 WeakPolarHBondContact O-CB 3.45Å; E300-A304 PolarHBondContact O-N 3.44Å; A304-L306 VanDerWaalsContact C-N 3.33Å; A304-L306 PolarHBondContact O-N 3.38Å; A304-Q307 PolarHBondContact O-N 3.01Å; A304-F308 VanDerWaalsContact O-CD2 3.24Å; A304-F308 WeakPolarHBondContact O-CD2 3.28Å; A304-F308 PolarHBondContact O-N 3.08Å
305G87.6Confident79Confident41 Ų41114.1 Ų114.142%0.42355%0.553SS.*Hα-helixtrans-61.7-37.5174.900000113.6K301 H302 R309K301-G305 PolarHBondContact O-N 2.93Å; H302-G305 PolarHBondContact O-N 3.08Å; G305-R309 WeakPolarHBondContact O-CB 3.4Å; G305-R309 PolarHBondContact O-N 2.95Å; G305-R309 VanDerWaalsContact O-N 3.14Å
306L82.8Confident78.1Confident84 Ų84115.4 Ų115.444%0.4456%0.556SS.*Hα-helixtrans-66.3-43.3171.2-73.7170.2000111.6H302 L303 A304 R309 E310H302-L306 WeakPolarHBondContact O-CG 3.38Å; H302-L306 PolarHBondContact O-N 2.87Å; L303-L306 PolarHBondContact O-N 3.28Å; A304-L306 VanDerWaalsContact C-N 3.33Å; A304-L306 PolarHBondContact O-N 3.38Å; L306-R309 PolarHBondContact O-N 3.28Å; L306-E310 PolarHBondContact O-N 3.39Å
307Q76.1Confident76.6Confident128 Ų128109.2 Ų109.260%0.59855%0.545SS*.Hα-helixtrans-64.7-43.6178.4-173.6177.5-6.800112L303 A304 R309 E310 Q311L303-Q307 WeakPolarHBondContact O-CB 3.42Å; L303-Q307 PolarHBondContact O-N 3.34Å; A304-Q307 PolarHBondContact O-N 3.01Å; Q307-R309 VanDerWaalsContact C-N 3.28Å; Q307-R309 PolarHBondContact O-N 3.23Å; Q307-E310 PolarHBondContact O-N 3.32Å; Q307-Q311 WeakPolarHBondContact O-CB 3.22Å; Q307-Q311 PolarHBondContact O-N 3.45Å
308F78.1Confident75.1Confident161 Ų161108.7 Ų108.771%0.70654%0.542SS*.Hα-helixtrans-58.1-41.3172-86.3-68.9000111.6A304 Q311 E312A304-F308 VanDerWaalsContact O-CD2 3.24Å; A304-F308 WeakPolarHBondContact O-CD2 3.28Å; A304-F308 PolarHBondContact O-N 3.08Å; F308-Q311 PolarHBondContact O-N 3.49Å; F308-E312 VanDerWaalsContact O-CB 3.3Å; F308-E312 WeakPolarHBondContact O-CB 3.2Å; F308-E312 PolarHBondContact O-N 3Å
309R80.4Confident73.4Confident175 Ų175110.3 Ų110.366%0.6656%0.556SS**Hα-helixtrans-69.4-36.2176.9-168.3177.6-178.7-157.6-1.9112.9G305 L306 Q307 E312 V313G305-R309 WeakPolarHBondContact O-CB 3.4Å; G305-R309 PolarHBondContact O-N 2.95Å; G305-R309 VanDerWaalsContact O-N 3.14Å; L306-R309 PolarHBondContact O-N 3.28Å; Q307-R309 VanDerWaalsContact C-N 3.28Å; Q307-R309 PolarHBondContact O-N 3.23Å; R309-E312 PolarHBondContact O-N 3.41Å; R309-V313 WeakPolarHBondContact O-CB 3.45Å; R309-V313 VanDerWaalsContact O-CG2 3.25Å; R309-V313 WeakPolarHBondContact O-CG2 3.4Å; R309-V313 PolarHBondContact O-N 2.95Å
310E76.5Confident71.5Confident116 Ų116115 Ų11554%0.54257%0.567SS.*Hα-helixtrans-69.6-37.3174.8-165.7-178.2137.100111.5L306 Q307 V313 R314L306-E310 PolarHBondContact O-N 3.39Å; Q307-E310 PolarHBondContact O-N 3.32Å; E310-V313 PolarHBondContact O-N 3.2Å; E310-R314 PolarHBondContact O-N 2.92Å; E310-R314 IonicContact OE1-CZ 3.77Å; E310-R314 IonicContact OE1-NH1 3.96Å; E310-R314 PolarHBondContact OE1-NH1 2.91Å; E310-R314 IonicContact OE1-NH2 3.38Å
311Q73.6Confident69.6Low103 Ų103113.4 Ų113.448%0.48157%0.567SS.*Hα-helixtrans-64.1-45.5171.9-163.39439.900111Q307 F308 V313 R314 N315Q307-Q311 WeakPolarHBondContact O-CB 3.22Å; Q307-Q311 PolarHBondContact O-N 3.45Å; F308-Q311 PolarHBondContact O-N 3.49Å; Q311-V313 PolarHBondContact O-N 2.92Å; Q311-R314 WeakPolarHBondContact O-CB 3.47Å; Q311-R314 PolarHBondContact O-N 2.94Å; Q311-N315 PolarHBondContact O-N 3.15Å; Q311-N315 PolarHBondContact O-OD1 3.27Å; Q311-N315 VanDerWaalsContact O-OD1 3.1Å
312E73.1Confident67.5Low113 Ų113112.4 Ų112.453%0.52857%0.569SS.*Hα-helixtrans-64.7-37.9177-175.6171.9-138.100112.1F308 R309 N315 Q316F308-E312 VanDerWaalsContact O-CB 3.3Å; F308-E312 WeakPolarHBondContact O-CB 3.2Å; F308-E312 PolarHBondContact O-N 3Å; R309-E312 PolarHBondContact O-N 3.41Å; E312-N315 PolarHBondContact O-N 3.2Å; E312-Q316 WeakPolarHBondContact O-CB 3.26Å; E312-Q316 WeakPolarHBondContact O-CG 3.5Å; E312-Q316 PolarHBondContact O-N 3.25Å
313V70.8Confident65.8Low90 Ų90109.3 Ų109.355%0.54556%0.562SS.*Hα-helixtrans-68.9-35.4172.6168.50000112.1R309 E310 Q311 G317R309-V313 WeakPolarHBondContact O-CB 3.45Å; R309-V313 VanDerWaalsContact O-CG2 3.25Å; R309-V313 WeakPolarHBondContact O-CG2 3.4Å; R309-V313 PolarHBondContact O-N 2.95Å; E310-V313 PolarHBondContact O-N 3.2Å; Q311-V313 PolarHBondContact O-N 2.92Å; V313-G317 PolarHBondContact O-N 3.12Å
314R63.5Low64.2Low149 Ų149108.3 Ų108.356%0.56256%0.561SS**Hα-helixtrans-62.2-49.1169.7-86.4-170.2171.383.70.4111.5E310 Q311 Q316 G317 Q318E310-R314 PolarHBondContact O-N 2.92Å; E310-R314 IonicContact OE1-CZ 3.77Å; E310-R314 IonicContact OE1-NH1 3.96Å; E310-R314 PolarHBondContact OE1-NH1 2.91Å; E310-R314 IonicContact OE1-NH2 3.38Å; Q311-R314 WeakPolarHBondContact O-CB 3.47Å; Q311-R314 PolarHBondContact O-N 2.94Å; R314-Q316 VanDerWaalsContact C-N 3.33Å; R314-Q316 PolarHBondContact O-N 3.27Å; R314-G317 CarbonylContact O-C 3.53Å; R314-G317 WeakPolarHBondContact O-CA 3.34Å; R314-G317 PolarHBondContact O-N 2.89Å; R314-Q318 PolarHBondContact O-N 2.94Å
315N64.1Low62.7Low92 Ų92110.1 Ų110.149%0.49257%0.571SS.*Hα-helixtrans-62.9-38.7-179.3-65.35.4000111.7Q311 E312Q311-N315 PolarHBondContact O-N 3.15Å; Q311-N315 PolarHBondContact O-OD1 3.27Å; Q311-N315 VanDerWaalsContact O-OD1 3.1Å; E312-N315 PolarHBondContact O-N 3.2Å
316Q61.7Low60.7Low123 Ų123110.8 Ų110.858%0.57557%0.573SS**Hα-helixtrans-73.5-25.6171.8-69.9-177.341.800113.1E312 R314 A319E312-Q316 WeakPolarHBondContact O-CB 3.26Å; E312-Q316 WeakPolarHBondContact O-CG 3.5Å; E312-Q316 PolarHBondContact O-N 3.25Å; R314-Q316 VanDerWaalsContact C-N 3.33Å; R314-Q316 PolarHBondContact O-N 3.27Å; Q316-A319 PolarHBondContact O-N 3.48Å
317G50Low59.5Low39 Ų39113.4 Ų113.440%0.40258%0.583SS.*Hα-helixtrans-69.5-36.7174.200000113.2V313 R314 A319 R320V313-G317 PolarHBondContact O-N 3.12Å; R314-G317 CarbonylContact O-C 3.53Å; R314-G317 WeakPolarHBondContact O-CA 3.34Å; R314-G317 PolarHBondContact O-N 2.89Å; G317-A319 PolarHBondContact O-N 3.43Å; G317-R320 CarbonylContact O-C 3.53Å; G317-R320 WeakPolarHBondContact O-CA 3.36Å; G317-R320 PolarHBondContact O-N 3.48Å
318Q49.3Very low58.8Low148 Ų148115 Ų11569%0.69259%0.588SS**Hα-helixtrans-62.8-25.8172.3-70.7178.1-80.600112.4R314 R320R314-Q318 PolarHBondContact O-N 2.94Å; Q318-R320 PolarHBondContact O-N 3.05Å
319A47Very low58.2Low85 Ų85113 Ų11370%0.70259%0.585SS**THydrogen-bonded Turntrans-809.9170.500000114Q316 G317Q316-A319 PolarHBondContact O-N 3.48Å; G317-A319 PolarHBondContact O-N 3.43Å
320R44.3Very low58.1Low185 Ų185110.5 Ų110.570%0.69858%0.58SS**THydrogen-bonded Turntrans-139.533.3-176.6-72.9-164.1167.6-126.5-4.3114.1G317 Q318 N322 S323G317-R320 CarbonylContact O-C 3.53Å; G317-R320 WeakPolarHBondContact O-CA 3.36Å; G317-R320 PolarHBondContact O-N 3.48Å; Q318-R320 PolarHBondContact O-N 3.05Å; R320-N322 PolarHBondContact O-N 3.12Å; R320-S323 WeakPolarHBondContact O-CB 3.33Å; R320-S323 PolarHBondContact O-N 3.36Å; R320-S323 PolarHBondContact O-OG 3.48Å
321T42.6Very low58.2Low99 Ų99112.3 Ų112.361%0.60758%0.582SS**G310 helixtrans-45.9-33.9174.543.50000114.3S323T321-S323 PolarHBondContact O-N 2.89Å
322N44.4Very low58.2Low149 Ų149111.4 Ų111.480%0.79758%0.578SS**G310 helixtrans-65.93177.5-63.7-12000115.7R320R320-N322 PolarHBondContact O-N 3.12Å
323S48.4Very low58.2Low62 Ų62109.3 Ų109.343%0.43458%0.575SS.*G310 helixtrans-89.7-12.3-175.3-48.10000114.7R320 T321 S325 A326R320-S323 WeakPolarHBondContact O-CB 3.33Å; R320-S323 PolarHBondContact O-N 3.36Å; R320-S323 PolarHBondContact O-OG 3.48Å; T321-S323 PolarHBondContact O-N 2.89Å; S323-S325 VanDerWaalsContact C-N 3.34Å; S323-S325 PolarHBondContact O-N 2.94Å; S323-A326 PolarHBondContact O-N 3.35Å
324T49.3Very low58.4Low94 Ų94109.7 Ų109.758%0.57757%0.574SS**Hα-helixtrans-70-25.5-171.255.20000114.1K328T324-K328 PolarHBondContact O-N 3.27Å
325S52.4Low59.4Low76 Ų76107.9 Ų107.953%0.53157%0.567SS.*Hα-helixtrans-68.2-35.8175.457.80000112.7S323 K328 N329S323-S325 VanDerWaalsContact C-N 3.34Å; S323-S325 PolarHBondContact O-N 2.94Å; S325-K328 PolarHBondContact O-N 2.93Å; S325-N329 PolarHBondContact O-N 3.5Å
326A46.2Very low60.1Low55 Ų55108.3 Ų108.346%0.45557%0.566SS.*Hα-helixtrans-64.5-41.2176.700000111.6S323 K328 N329 E330S323-A326 PolarHBondContact O-N 3.35Å; A326-K328 VanDerWaalsContact C-N 3.34Å; A326-K328 PolarHBondContact O-N 3.04Å; A326-N329 WeakPolarHBondContact O-CB 3.29Å; A326-N329 PolarHBondContact O-N 3.4Å; A326-N329 VanDerWaalsContact O-N 3.16Å; A326-E330 PolarHBondContact O-N 3.26Å
327Q57.7Low61Low139 Ų139109.1 Ų109.165%0.6557%0.567SS**Hα-helixtrans-70.7-28.9-178.2-155.7174.616.800112.9E330 R331Q327-E330 PolarHBondContact O-N 3.02Å; Q327-R331 PolarHBondContact O-N 3.29Å
328K60.4Low62.2Low162 Ų162113.7 Ų113.770%0.70458%0.582SS**Hα-helixtrans-65.7-41.8169.4-70.8-178.6178.8-179.70111.4T324 S325 A326 R331 E332T324-K328 PolarHBondContact O-N 3.27Å; S325-K328 PolarHBondContact O-N 2.93Å; A326-K328 VanDerWaalsContact C-N 3.34Å; A326-K328 PolarHBondContact O-N 3.04Å; K328-R331 PolarHBondContact O-N 3.25Å; K328-E332 PolarHBondContact O-N 3.18Å
329N66.3Low63Low120 Ų120110.8 Ų110.864%0.64258%0.583SS**Hα-helixtrans-64.4-36.1172.2-78.4-31.5000112.5S325 A326 S333S325-N329 PolarHBondContact O-N 3.5Å; A326-N329 WeakPolarHBondContact O-CB 3.29Å; A326-N329 PolarHBondContact O-N 3.4Å; A326-N329 VanDerWaalsContact O-N 3.16Å; N329-S333 WeakPolarHBondContact O-CB 3.49Å; N329-S333 PolarHBondContact O-N 3.16Å
330E79.4Confident63.7Low121 Ų121113.4 Ų113.457%0.56559%0.585SS**Hα-helixtrans-64.9-43.4174.2-72.9-174149.900112.3A326 Q327 E332 S333 I334A326-E330 PolarHBondContact O-N 3.26Å; Q327-E330 PolarHBondContact O-N 3.02Å; E330-E332 VanDerWaalsContact C-N 3.32Å; E330-E332 PolarHBondContact O-N 3.38Å; E330-S333 PolarHBondContact O-N 3.35Å; E330-I334 WeakPolarHBondContact O-CB 3.16Å; E330-I334 WeakPolarHBondContact O-CD1 3.4Å; E330-I334 WeakPolarHBondContact O-CG1 3.49Å; E330-I334 PolarHBondContact O-N 2.86Å
331R77.8Confident64Low155 Ų155107.2 Ų107.259%0.58558%0.578SS**Hα-helixtrans-56.6-46.3176.7-171.4-175.5-173.3-142.18.5111.4Q327 K328 I334 R335Q327-R331 PolarHBondContact O-N 3.29Å; K328-R331 PolarHBondContact O-N 3.25Å; R331-I334 PolarHBondContact O-N 3.43Å; R331-R335 PolarHBondContact O-N 3.3Å; R331-R335 VanDerWaalsContact O-N 3.07Å
332E72.6Confident64.5Low84 Ų84107 Ų10739%0.39358%0.58SS.*Hα-helixtrans-73.2-41.1-179.6-177.251.9-151.500112.4K328 E330 I334 R335 Q336K328-E332 PolarHBondContact O-N 3.18Å; E330-E332 VanDerWaalsContact C-N 3.32Å; E330-E332 PolarHBondContact O-N 3.38Å; E332-I334 VanDerWaalsContact C-N 3.25Å; E332-I334 PolarHBondContact O-N 3.12Å; E332-R335 WeakPolarHBondContact O-CB 3.27Å; E332-R335 PolarHBondContact O-N 2.94Å; E332-R335 VanDerWaalsContact O-N 3.15Å; E332-R335 WeakPolarHBondContact OE2-CD 3.15Å; E332-R335 IonicContact OE2-NE 3.14Å; E332-Q336 WeakPolarHBondContact O-CG 3.19Å; E332-Q336 PolarHBondContact O-N 3.3Å; E332-Q336 WeakPolarHBondContact OE1-CG 3.29Å; E332-Q336 PolarHBondContact OE1-NE2 3.5Å
333S73.9Confident64.8Low68 Ų68107.9 Ų107.948%0.47658%0.577SS.*Hα-helixtrans-57.5-38171.8-179.20000112.1N329 E330 K337N329-S333 WeakPolarHBondContact O-CB 3.49Å; N329-S333 PolarHBondContact O-N 3.16Å; E330-S333 PolarHBondContact O-N 3.35Å; S333-K337 WeakPolarHBondContact O-CB 3.33Å; S333-K337 PolarHBondContact O-N 2.86Å
334I75.2Confident64.8Low99 Ų99113.8 Ų113.851%0.50860%0.596SS.*Hα-helixtrans-68.4-44.8174.6-69.6163.3000111.1E330 R331 E332 Q336 K337 L338E330-I334 WeakPolarHBondContact O-CB 3.16Å; E330-I334 WeakPolarHBondContact O-CD1 3.4Å; E330-I334 WeakPolarHBondContact O-CG1 3.49Å; E330-I334 PolarHBondContact O-N 2.86Å; R331-I334 PolarHBondContact O-N 3.43Å; E332-I334 VanDerWaalsContact C-N 3.25Å; E332-I334 PolarHBondContact O-N 3.12Å; I334-Q336 VanDerWaalsContact C-N 3.34Å; I334-Q336 PolarHBondContact O-N 2.81Å; I334-K337 PolarHBondContact O-N 2.58Å; I334-L338 HydrophobicContact CG2-CD1 3.88Å; I334-L338 HydrophobicContact CG2-CG 4.44Å; I334-L338 WeakPolarHBondContact O-CB 3.47Å; I334-L338 VanDerWaalsContact O-CG 3.29Å; I334-L338 WeakPolarHBondContact O-CG 3.36Å; I334-L338 PolarHBondContact O-N 2.93Å
335R84Confident64.7Low111 Ų111116.5 Ų116.542%0.41961%0.607SS.*Hα-helixtrans-54.9-50.1172.8-70-167.8-164.6-102.118.7110.9R331 E332 L338 A339R331-R335 PolarHBondContact O-N 3.3Å; R331-R335 VanDerWaalsContact O-N 3.07Å; E332-R335 WeakPolarHBondContact O-CB 3.27Å; E332-R335 PolarHBondContact O-N 2.94Å; E332-R335 VanDerWaalsContact O-N 3.15Å; E332-R335 WeakPolarHBondContact OE2-CD 3.15Å; E332-R335 IonicContact OE2-NE 3.14Å; R335-L338 PolarHBondContact O-N 3.47Å; R335-A339 WeakPolarHBondContact O-CB 3.45Å; R335-A339 PolarHBondContact O-N 3.19Å
336Q80.3Confident64.5Low101 Ų101120.6 Ų120.647%0.47262%0.623SS.*Hα-helixtrans-64.7-40.6-179.5-68177.714.400112.4E332 I334 L338 A339 L340E332-Q336 WeakPolarHBondContact O-CG 3.19Å; E332-Q336 PolarHBondContact O-N 3.3Å; E332-Q336 WeakPolarHBondContact OE1-CG 3.29Å; E332-Q336 PolarHBondContact OE1-NE2 3.5Å; I334-Q336 VanDerWaalsContact C-N 3.34Å; I334-Q336 PolarHBondContact O-N 2.81Å; Q336-L338 VanDerWaalsContact C-N 3.33Å; Q336-L338 PolarHBondContact O-N 3.25Å; Q336-A339 PolarHBondContact O-N 2.66Å; Q336-L340 VanDerWaalsContact O-CB 3.27Å; Q336-L340 WeakPolarHBondContact O-CB 3.22Å; Q336-L340 WeakPolarHBondContact O-CG 3.46Å; Q336-L340 PolarHBondContact O-N 3.22Å
337K79.7Confident64.4Low140 Ų140120.5 Ų120.561%0.60963%0.627SS**Hα-helixtrans-67.8-31178.5-172.3172.6-177176.70113.1S333 I334 G341 S342S333-K337 WeakPolarHBondContact O-CB 3.33Å; S333-K337 PolarHBondContact O-N 2.86Å; I334-K337 PolarHBondContact O-N 2.58Å; K337-G341 PolarHBondContact O-N 3.48Å; K337-S342 PolarHBondContact O-N 3.26Å
338L74.9Confident63.6Low134 Ų134120.3 Ų120.370%0.70264%0.638SS**Hα-helixtrans-74.6-48.1171.5-69.1168.7000111.2I334 R335 Q336 L340 G341I334-L338 HydrophobicContact CG2-CD1 3.88Å; I334-L338 HydrophobicContact CG2-CG 4.44Å; I334-L338 WeakPolarHBondContact O-CB 3.47Å; I334-L338 VanDerWaalsContact O-CG 3.29Å; I334-L338 WeakPolarHBondContact O-CG 3.36Å; I334-L338 PolarHBondContact O-N 2.93Å; R335-L338 PolarHBondContact O-N 3.47Å; Q336-L338 VanDerWaalsContact C-N 3.33Å; Q336-L338 PolarHBondContact O-N 3.25Å; L338-L340 VanDerWaalsContact C-N 3.33Å; L338-L340 PolarHBondContact O-N 2.9Å; L338-G341 PolarHBondContact O-N 2.89Å; L338-G341 VanDerWaalsContact O-N 3.11Å
339A66.1Low62.8Low87 Ų87116.1 Ų116.172%0.71964%0.64SS**Hα-helixtrans-64.2-33.8179.700000113.6R335 Q336R335-A339 WeakPolarHBondContact O-CB 3.45Å; R335-A339 PolarHBondContact O-N 3.19Å; Q336-A339 PolarHBondContact O-N 2.66Å
340L62.8Low61.7Low141 Ų141118.2 Ų118.274%0.73865%0.65SS**THydrogen-bonded Turntrans-92.64.3175.7-61.8172000113.3Q336 L338 S342Q336-L340 VanDerWaalsContact O-CB 3.27Å; Q336-L340 WeakPolarHBondContact O-CB 3.22Å; Q336-L340 WeakPolarHBondContact O-CG 3.46Å; Q336-L340 PolarHBondContact O-N 3.22Å; L338-L340 VanDerWaalsContact C-N 3.33Å; L338-L340 PolarHBondContact O-N 2.9Å; L340-S342 PolarHBondContact O-N 3.22Å
341G50.4Low59.9Low54 Ų54122.9 Ų122.956%0.55766%0.664SS**THydrogen-bonded Turntrans57.138.7163.500000116.4K337 L338 F343K337-G341 PolarHBondContact O-N 3.48Å; L338-G341 PolarHBondContact O-N 2.89Å; L338-G341 VanDerWaalsContact O-N 3.11Å; G341-F343 VanDerWaalsContact C-N 3.28Å; G341-F343 PolarHBondContact O-N 3.19Å
342S52.7Low57.9Low94 Ų94120.8 Ų120.866%0.65767%0.669SS**THydrogen-bonded Turntrans19.559179.874.60000117K337 L340K337-S342 PolarHBondContact O-N 3.26Å; L340-S342 PolarHBondContact O-N 3.22Å
343F49.6Very low56.2Low168 Ų168122 Ų12274%0.73769%0.687SS**  trans-89.4141.4162.1-146.9-99.6000107.4G341G341-F343 VanDerWaalsContact C-N 3.28Å; G341-F343 PolarHBondContact O-N 3.19Å
344F49.8Very low54.4Low186 Ų186124.7 Ų124.782%0.81670%0.704SS**  trans71.677.1-163.7-50.7-76.9000114.3
345D47.6Very low53.1Low152 Ų152125.5 Ų125.581%0.81372%0.718SS**  trans-71.7128.3145.617460.3000108.3
346D47.9Very low51.1Low162 Ų162130.7 Ų130.787%0.86674%0.744SS**  trans-112.934.2-171.4-146.76.1000113.4
347G43.9Very low49.3Very low52 Ų52130.7 Ų130.754%0.53676%0.755SS.*  trans71.2-161.1155.900000117.5
348P41.3Very low47.7Very low135 Ų135128 Ų12888%0.87777%0.767SS**  cis-117.7121.4-0.735.4-20.9000113.5
349G41.7Very low46.8Very low74 Ų74130.3 Ų130.376%0.76377%0.771SS**  trans-151.347.3-163.500000119.6
350I44.8Very low46.5Very low164 Ų164129.5 Ų129.584%0.84176%0.758SS**  trans38.281.1154.8-39.3177.8000117.9
351Y41.3Very low46.6Very low219 Ų219126.3 Ų126.386%0.85975%0.748SS**  -155143.2124.9-140.8-100.9000112.9
352T35.7Very low47.1Very low112 Ų112130 Ų13069%0.68775%0.754SS**  trans-108.9167.2-176.349.70000112.5
353S36.6Very low47.8Very low110 Ų110129 Ų12977%0.76975%0.747SS**  trans67.483.6158.861.80000118.9
354C36.7Very low48.5Very low124 Ų124123 Ų12384%0.83873%0.729SS**  trans-130.4106.4137.450.50000111.9
355S46.7Very low49.1Very low115 Ų115121.3 Ų121.380%0.80472%0.717SS**  trans40.492.3152.6-57.80000120.6S357S355-S357 PolarHBondContact O-N 3.22Å; S355-S357 VanDerWaalsContact O-N 3.07Å
356K42.4Very low49.8Very low221 Ų221120 Ų12096%0.96171%0.71SS**  trans-3.793.9145.4-62.8177178.3178.70116
357S43.3Very low50.5Low101 Ų101120.7 Ų120.771%0.70671%0.707SS**  trans-143.787.8162-172.70000109.1S355 K359S355-S357 PolarHBondContact O-N 3.22Å; S355-S357 VanDerWaalsContact O-N 3.07Å; S357-K359 PolarHBondContact O-N 3.46Å
358G45.3Very low51.4Low83 Ų83122.6 Ų122.686%0.85671%0.713SS**  trans-73.293.2-172.900000112.3
359K57.1Low51.7Low182 Ų182118.2 Ų118.279%0.79169%0.692SS**PPolyproline II helixtrans-70.6130163.4-64.8176.5-177.7175.20108.1S357S357-K359 PolarHBondContact O-N 3.46Å
360P58.1Low52.2Low70 Ų70123.1 Ų123.146%0.45570%0.697SS.*PPolyproline II helixtrans-64144.3178.726.1-33.9000110.9A364P360-A364 HydrophobicContact CB-CB 4.08Å
361S66.5Low52.8Low75 Ų75122.9 Ų122.952%0.52470%0.697SS.*PPolyproline II helixtrans-51.4151.3170.2169.60000111.1S363 A364 R365S361-S363 PolarHBondContact O-N 3.29Å; S361-S363 PolarHBondContact OG-N 3.04Å; S361-A364 WeakPolarHBondContact O-CA 3.39Å; S361-A364 WeakPolarHBondContact O-CB 3.26Å; S361-A364 PolarHBondContact O-N 2.91Å; S361-R365 PolarHBondContact O-N 2.92Å
362L61Low53.7Low130 Ų130119.4 Ų119.468%0.68169%0.693SS**Hα-helixtrans-52.7-41.1174.1-68.3175.5000111.3A364 R365 L366L362-A364 VanDerWaalsContact C-N 3.34Å; L362-A364 PolarHBondContact O-N 3.2Å; L362-R365 PolarHBondContact O-N 3Å; L362-L366 WeakPolarHBondContact O-CB 3.38Å; L362-L366 VanDerWaalsContact O-CG 3.27Å; L362-L366 WeakPolarHBondContact O-CG 3.46Å; L362-L366 PolarHBondContact O-N 3.08Å
363S66.9Low55.1Low73 Ų73122.5 Ų122.551%0.5170%0.7SS.*Hα-helixtrans-60.9-39.8175.3-450000112.8S361 L366 Q367S361-S363 PolarHBondContact O-N 3.29Å; S361-S363 PolarHBondContact OG-N 3.04Å; S363-L366 PolarHBondContact O-N 2.97Å; S363-Q367 WeakPolarHBondContact O-CB 3.39Å; S363-Q367 VanDerWaalsContact O-CG 3.3Å; S363-Q367 WeakPolarHBondContact O-CG 3.36Å; S363-Q367 PolarHBondContact O-N 2.98Å
364A63.5Low56.7Low42 Ų42123.6 Ų123.635%0.34770%0.695SS.*Hα-helixtrans-73.1-30.6177.300000112.4P360 S361 L362 S368P360-A364 HydrophobicContact CB-CB 4.08Å; S361-A364 WeakPolarHBondContact O-CA 3.39Å; S361-A364 WeakPolarHBondContact O-CB 3.26Å; S361-A364 PolarHBondContact O-N 2.91Å; L362-A364 VanDerWaalsContact C-N 3.34Å; L362-A364 PolarHBondContact O-N 3.2Å; A364-S368 PolarHBondContact O-N 3.4Å; A364-S368 PolarHBondContact O-OG 3.4Å
365R62.9Low58.2Low152 Ų152123 Ų12357%0.57469%0.691SS**Hα-helixtrans-73.1-34.5172.6-180167.9-78178.5-7.2112.1S361 L362 G369S361-R365 PolarHBondContact O-N 2.92Å; L362-R365 PolarHBondContact O-N 3Å; R365-G369 WeakPolarHBondContact O-CA 3.34Å; R365-G369 PolarHBondContact O-N 3.21Å
366L63.3Low59Low125 Ų125125.9 Ų125.965%0.65469%0.689SS**Hα-helixtrans-71.3-39.2172.8-70.6165.8000111.8L362 S363 S368L362-L366 WeakPolarHBondContact O-CB 3.38Å; L362-L366 VanDerWaalsContact O-CG 3.27Å; L362-L366 WeakPolarHBondContact O-CG 3.46Å; L362-L366 PolarHBondContact O-N 3.08Å; S363-L366 PolarHBondContact O-N 2.97Å; L366-S368 VanDerWaalsContact C-N 3.3Å; L366-S368 PolarHBondContact O-N 3.45Å
367Q61.3Low60.2Low175 Ų175120.6 Ų120.682%0.81868%0.675SS**Hα-helixtrans-74.3-13.1177.5-74.7176.7-17.700114.8S363S363-Q367 WeakPolarHBondContact O-CB 3.39Å; S363-Q367 VanDerWaalsContact O-CG 3.3Å; S363-Q367 WeakPolarHBondContact O-CG 3.36Å; S363-Q367 PolarHBondContact O-N 2.98Å
368S62.8Low61.3Low93 Ų93122.1 Ų122.165%0.6568%0.676SS**Hα-helixtrans-116.4-6.4176.557.20000114.3A364 L366 M370A364-S368 PolarHBondContact O-N 3.4Å; A364-S368 PolarHBondContact O-OG 3.4Å; L366-S368 VanDerWaalsContact C-N 3.3Å; L366-S368 PolarHBondContact O-N 3.45Å; S368-M370 PolarHBondContact O-N 2.9Å; S368-M370 VanDerWaalsContact O-N 3.15Å
369G47.2Very low62Low42 Ų42125.2 Ų125.243%0.43367%0.673SS.*  trans-84.278.118000000112.8R365 N371R365-G369 WeakPolarHBondContact O-CA 3.34Å; R365-G369 PolarHBondContact O-N 3.21Å; G369-N371 PolarHBondContact O-N 2.73Å
370M53.2Low61.8Low177 Ų177121.7 Ų121.787%0.87267%0.671SS**THydrogen-bonded Turntrans-65.114.9-172-163.9155.163.600116.6S368S368-M370 PolarHBondContact O-N 2.9Å; S368-M370 VanDerWaalsContact O-N 3.15Å
371N57.6Low61.7Low159 Ų159121.9 Ų121.985%0.8569%0.685SS**THydrogen-bonded Turntrans-146.233.8-175.4-69.2-70.2000114.2G369G369-N371 PolarHBondContact O-N 2.73Å
372L60.2Low60.9Low146 Ų146124.4 Ų124.476%0.76470%0.703SS**  trans-125.276.3169.7-159.774.5000111.3
373Q65.1Low60.9Low178 Ų178125 Ų12583%0.83271%0.707SS**  trans-77.1120.1173.3-176.1171.2-5.500109.3C375Q373-C375 PolarHBondContact O-N 2.88Å
374I69.8Low60.4Low133 Ų133130.8 Ų130.868%0.68272%0.723SS**  trans-70.6117172.4-60172.6000107.6F376I374-F376 HydrophobicContact CG2-CE2 4.37Å; I374-F376 PolarHBondContact O-N 3.16Å; I374-F376 VanDerWaalsContact O-N 3.15Å
375C67.7Low60.1Low110 Ų110136 Ų13674%0.74375%0.745SS**  trans-74.9100.9175.8-64.60000109.8Q373 V377Q373-C375 PolarHBondContact O-N 2.88Å; C375-V377 PolarHBondContact O-N 3.13Å
376F63.4Low59.6Low176 Ų176133.9 Ų133.977%0.77275%0.754SS**  trans-70.7105.4162.8-76.7-92.7000108.5I374 N378I374-F376 HydrophobicContact CG2-CE2 4.37Å; I374-F376 PolarHBondContact O-N 3.16Å; I374-F376 VanDerWaalsContact O-N 3.15Å; F376-N378 PolarHBondContact O-N 2.7Å
377V69.2Low59.5Low110 Ų110136.1 Ų136.167%0.66777%0.766SS**  trans-74.9103.2164.2-178.80000106.7C375 D379C375-V377 PolarHBondContact O-N 3.13Å; V377-D379 PolarHBondContact O-N 3.36Å
378N65.9Low59.1Low134 Ų134132.6 Ų132.672%0.71777%0.767SS**  trans-82.694.2167.3-90.221.3000108.1F376 S380F376-N378 PolarHBondContact O-N 2.7Å; N378-S380 PolarHBondContact O-N 3.44Å
379D59.6Low58.9Low147 Ų147135.9 Ų135.979%0.78678%0.778SS**  trans-69.577.4167.3-69.4-50.6000109.7V377V377-D379 PolarHBondContact O-N 3.36Å
380S52.8Low59.1Low108 Ų108138.9 Ų138.976%0.75578%0.783SS**  trans-153.939.3-178.2-66.20000110.2N378N378-S380 PolarHBondContact O-N 3.44Å
381G55.1Low59.5Low74 Ų74136 Ų13676%0.76378%0.781SS**  trans-110.286173.200000110.1D383G381-D383 PolarHBondContact O-N 3.36Å
382S50.7Low59.3Low129 Ų129136 Ų13690%0.90277%0.774SS**  trans-71.2110.4168.256.60000109
383D60.4Low58.8Low141 Ų141135 Ų13575%0.75477%0.773SS**  trans-120.5141.8167-152.2-17.7000110G381G381-D383 PolarHBondContact O-N 3.36Å
384K56Low58.2Low195 Ų195135.2 Ų135.285%0.84878%0.775SS**  trans-147.442.8-172-155.8-168.4-179.5-179.40111.7
385D58.1Low57.2Low151 Ų151135.8 Ų135.881%0.80778%0.784SS**  trans-88.1148.3166.6-87.5-36000111.9
386S52.4Low56.3Low108 Ų108135.2 Ų135.276%0.75578%0.782SS**  trans-123.1109.8-169.8-530000109.5
387D60.3Low55.5Low173 Ų173134.7 Ų134.793%0.92579%0.786SS**  trans-127.9127.7167.8-90.2-48.9000110.5
388A53.1Low54.5Low101 Ų101136 Ų13684%0.83579%0.789SS**  trans-112.9121.2169.100000107.8
389D59.5Low53.8Low162 Ų162136 Ų13687%0.86679%0.794SS**  trans-137.9152.1169.5-151.8-10.3000111.3
390D51.6Low53.2Low104 Ų104134.2 Ų134.256%0.55679%0.791SS**  trans-82.6144.3-174.9-138.2-40.9000109.8K392D390-K392 VanDerWaalsContact CG-NZ 3.29Å; D390-K392 IonicContact OD1-NZ 3.97Å; D390-K392 PolarHBondContact OD1-NZ 2.96Å; D390-K392 IonicContact OD2-NZ 2.66Å; D390-K392 PolarHBondContact OD2-NZ 3.43Å
391S61.4Low52.7Low118 Ų118137.1 Ų137.183%0.82580%0.797SS**  trans-149.662.7171.8-83.50000111.8T393S391-T393 PolarHBondContact O-N 2.85Å
392K52.4Low52.4Low159 Ų159139.4 Ų139.469%0.69180%0.801SS**  trans-77105.7163.8-64178.1-16974.80109.9D390D390-K392 VanDerWaalsContact CG-NZ 3.29Å; D390-K392 IonicContact OD1-NZ 3.97Å; D390-K392 PolarHBondContact OD1-NZ 2.96Å; D390-K392 IonicContact OD2-NZ 2.66Å; D390-K392 PolarHBondContact OD2-NZ 3.43Å
393T51.1Low52.2Low124 Ų124139 Ų13976%0.76180%0.795SS**  trans-130.5107.915848.30000108.7S391S391-T393 PolarHBondContact O-N 2.85Å
394E50.9Low51.7Low183 Ų183140.8 Ų140.886%0.85580%0.802SS**  65.776.577.2-63.6-83.2109.900111.7
395T49.8Very low51.7Low144 Ų144136.3 Ų136.388%0.88380%0.795SS**  trans-125.8139.3153.156.60000108.4
396S48.1Very low51.1Low99 Ų99139.4 Ų139.469%0.69280%0.801SS**  trans-123.1137.7-149.664.20000114.4
397L47.2Very low50.9Low165 Ų165143.1 Ų143.186%0.86481%0.806SS**  trans66.4158.8158.5-53.4158.5000113.9
398D47.1Very low50.2Low136 Ų136140.2 Ų140.273%0.72780%0.8SS**  cis-148.5128.54.4-1660000109.6
399T51.4Low49.9Very low134 Ų134140.8 Ų140.882%0.82280%0.797SS**  trans-164125.4163.1-71.10000109
400P47.1Very low49.5Very low111 Ų111138.2 Ų138.272%0.72179%0.792SS**  trans-83.1156.3-164.831.1-36.6000115.9
401L42.8Very low49.3Very low169 Ų169143.4 Ų143.489%0.88581%0.806SS**  trans-53.8139.6179.2-63.7160.7000114.2
402S49.3Very low48.9Very low122 Ų122142.2 Ų142.285%0.85380%0.797SS**  trans-131.7104.4158.3-76.20000109.7
403P46.9Very low48.6Very low119 Ų119141.9 Ų141.977%0.77380%0.803SS**  trans-92.3133.7-174.133.9-32.4000112.5
404M50.2Low48.8Very low180 Ų180146.1 Ų146.189%0.88781%0.805SS**  trans-152.2142.7167.6-152.792.880.200113.7
405S55.3Low48.4Very low101 Ų101144.5 Ų144.571%0.70680%0.802SS**  trans61.978155.8-60.70000120Q407S405-Q407 VanDerWaalsContact C-N 3.34Å; S405-Q407 PolarHBondContact O-N 2.9Å; S405-Q407 VanDerWaalsContact O-N 3.16Å
406K44.3Very low48.2Very low216 Ų216143 Ų14394%0.93979%0.793SS**  trans-78.275.6153.6-72.4-173.5176.6-176.10111.8
407Q49.4Very low48Very low185 Ų185143.2 Ų143.286%0.86479%0.79SS**  trans-148.2129.9163.2-63.7-175.2-17.800106.7S405S405-Q407 VanDerWaalsContact C-N 3.34Å; S405-Q407 PolarHBondContact O-N 2.9Å; S405-Q407 VanDerWaalsContact O-N 3.16Å
408S46Very low47.9Very low112 Ų112142.8 Ų142.878%0.78378%0.784SS**  cis-146.1154.313.152.40000113.3
409S46.1Very low47.8Very low113 Ų113144.9 Ų144.979%0.7979%0.789SS**  trans-29.4136.6161.1520000117.8
410S50.4Low47.8Very low109 Ų109147.1 Ų147.176%0.76279%0.79SS**  -149.4138.298.8-161.70000110.2
411Y48.8Very low48.1Very low213 Ų213147 Ų14784%0.83579%0.792SS**  trans-74.3138.5154.3-85.3-108.2000107.3
412S52.2Low48.6Very low93 Ų93144.9 Ų144.965%0.6578%0.778SS**  trans-143.1105154.359.30000105.7R414S412-R414 PolarHBondContact O-N 3.28Å
413D45.3Very low49Very low151 Ų151141.3 Ų141.381%0.80775%0.753SS**  trans-58107.5163.8-59-69.2000106.6
414R55.2Low49.9Very low213 Ų213138.9 Ų138.980%0.80473%0.733SS**  trans-87.2116.2162-87.7-78.8163.3136.6-7.3104.7S412 T416S412-R414 PolarHBondContact O-N 3.28Å; R414-T416 VanDerWaalsContact C-N 3.32Å; R414-T416 PolarHBondContact O-N 3.46Å
415D44Very low50.8Low150 Ų150136.5 Ų136.580%0.80272%0.724SS**  trans-52.8105160.7-82.1-55.6000107.4T417D415-T417 HydrophobicContact CB-CG2 4.5Å; D415-T417 PolarHBondContact O-N 2.9Å
416T44.6Very low52Low111 Ų111138.4 Ų138.468%0.68173%0.726SS**  trans-74.481.3158.1460000106R414 E418R414-T416 VanDerWaalsContact C-N 3.32Å; R414-T416 PolarHBondContact O-N 3.46Å; T416-E418 PolarHBondContact O-N 2.76Å
417T44.5Very low53.6Low104 Ų104129.4 Ų129.464%0.63869%0.688SS**  trans-63.293.5156.548.80000106.4D415 E419D415-T417 HydrophobicContact CB-CG2 4.5Å; D415-T417 PolarHBondContact O-N 2.9Å; T417-E419 PolarHBondContact O-N 2.89Å; T417-E419 VanDerWaalsContact O-N 3.08Å
418E46Very low55.3Low157 Ų157126.8 Ų126.873%0.73468%0.68SS**  trans-68.70.6175.5-61.9-178.4161.800111.7T416 E420 S421T416-E418 PolarHBondContact O-N 2.76Å; E418-E420 PolarHBondContact O-N 3.1Å; E418-S421 PolarHBondContact O-N 2.97Å; E418-S421 VanDerWaalsContact O-N 3.12Å
419E44.9Very low57.2Low180 Ų180129.1 Ų129.184%0.84168%0.676SS**THydrogen-bonded Turntrans-71.936.1-179.5-52.4-165.9143.200115.1T417T417-E419 PolarHBondContact O-N 2.89Å; T417-E419 VanDerWaalsContact O-N 3.08Å
420E50.6Low59.2Low180 Ų180128.6 Ų128.684%0.84166%0.664SS**THydrogen-bonded Turntrans-138.54.7157.6-133179.517300113.3E418 E422E418-E420 PolarHBondContact O-N 3.1Å; E420-E422 PolarHBondContact O-N 3.35Å
421S52.4Low61.1Low109 Ų109126.5 Ų126.576%0.76265%0.646SS**  trans-78.157.8164.2-64.20000110.9E418 S423E418-S421 PolarHBondContact O-N 2.97Å; E418-S421 VanDerWaalsContact O-N 3.12Å; S421-S423 PolarHBondContact O-N 2.91Å
422E53.2Low63.1Low124 Ų124120 Ų12058%0.57962%0.62SS**  trans-56.7104158.7-77.8-168.9142.800107.6E420 L424 K435E420-E422 PolarHBondContact O-N 3.35Å; E422-L424 PolarHBondContact O-N 3.36Å; E422-K435 IonicContact OE2-NZ 3.5Å; E422-K435 PolarHBondContact OE2-NZ 3.01Å
423S59.7Low64.9Low47 Ų47120.3 Ų120.333%0.32961%0.612SS.*  trans-54.6132.8176.7123.90000108.8S421 D425 D426S421-S423 PolarHBondContact O-N 2.91Å; S423-D425 PolarHBondContact O-N 3.17Å; S423-D425 PolarHBondContact OG-N 3.11Å; S423-D426 WeakPolarHBondContact CB-OD2 3.48Å; S423-D426 PolarHBondContact O-N 2.92Å; S423-D426 PolarHBondContact OG-N 3.22Å; S423-D426 PolarHBondContact OG-OD2 3.1Å
424L64.3Low67.1Low69 Ų69119.3 Ų119.336%0.36160%0.6SS.*THydrogen-bonded Turntrans-62.9-17.9-175.6-125167.1000111.4E422 M427 R432E422-L424 PolarHBondContact O-N 3.36Å; L424-M427 HydrophobicContact CB-CE 4.39Å; L424-M427 HydrophobicContact CD2-CE 3.61Å; L424-M427 HydrophobicContact CG-CE 3.93Å; L424-R432 HydrophobicContact CD2-CG 3.63Å; L424-R432 WeakPolarHBondContact O-CD 3.41Å; L424-R432 PolarHBondContact O-NE 2.83Å; L424-R432 PolarHBondContact O-NH2 3.03Å
425D69.5Low68.8Low130 Ų130113 Ų11370%0.69558%0.579SS**THydrogen-bonded Turntrans-96.8-17.4-173.1-58.1-46000114S423 R432S423-D425 PolarHBondContact O-N 3.17Å; S423-D425 PolarHBondContact OG-N 3.11Å; D425-R432 IonicContact OD1-CZ 2.64Å; D425-R432 IonicContact OD1-NE 2.66Å; D425-R432 IonicContact OD1-NH2 2.66Å; D425-R432 PolarHBondContact OD1-NH2 3.37Å
426D79.8Confident71.1Confident141 Ų141109.2 Ų109.275%0.75456%0.558SS**SBendtrans-85.5-7176.9-68.3-62.1000113.7S423S423-D426 WeakPolarHBondContact CB-OD2 3.48Å; S423-D426 PolarHBondContact O-N 2.92Å; S423-D426 PolarHBondContact OG-N 3.22Å; S423-D426 PolarHBondContact OG-OD2 3.1Å
427M77.5Confident73.4Confident26 Ų26109.2 Ų109.213%0.12855%0.55CS.*SBendtrans-83.7139.4180-70.3-175.5-78.200113.5L424 F429 T431 R432 K435L424-M427 HydrophobicContact CB-CE 4.39Å; L424-M427 HydrophobicContact CD2-CE 3.61Å; L424-M427 HydrophobicContact CG-CE 3.93Å; M427-F429 PolarHBondContact O-N 3.34Å; M427-T431 HydrophobicContact CB-CG2 4.42Å; M427-T431 HydrophobicContact CG-CG2 4.32Å; M427-T431 HydrophobicContact SD-CG2 3.87Å; M427-R432 HydrophobicContact CB-CB 4.43Å; M427-R432 HydrophobicContact CE-CG 4.36Å; M427-K435 HydrophobicContact CE-CD 3.54Å; M427-K435 HydrophobicContact SD-CD 3.59Å; M427-K435 VanDerWaalsContact SD-CD 3.59Å
428D86.8Confident75.7Confident130 Ų130106.7 Ų106.770%0.69554%0.54SS*.  trans-46.9139.1164.5-85.9-39.5000111.8L430 T431 R432D428-L430 PolarHBondContact O-N 3.44Å; D428-T431 CarbonylContact O-C 3.6Å; D428-T431 WeakPolarHBondContact O-CA 3.27Å; D428-T431 WeakPolarHBondContact O-CB 3.48Å; D428-T431 PolarHBondContact O-N 2.98Å; D428-R432 PolarHBondContact O-N 3.01Å
429F86.1Confident77.9Confident162 Ų162104.9 Ų104.971%0.71153%0.532SS*.Hα-helixtrans-49.4-41.4-177.6176.1-89.8000113.5M427 R432 Q433M427-F429 PolarHBondContact O-N 3.34Å; F429-R432 PolarHBondContact O-N 2.9Å; F429-Q433 VanDerWaalsContact O-CB 3.25Å; F429-Q433 WeakPolarHBondContact O-CB 3.42Å; F429-Q433 PolarHBondContact O-N 3.38Å
430L88.2Confident80.2Confident101 Ų10198.7 Ų98.753%0.52951%0.511SS..Hα-helixtrans-69.3-32.9179.3-176.362.1000112.6D428 K434D428-L430 PolarHBondContact O-N 3.44Å; L430-K434 WeakPolarHBondContact O-CB 3.47Å; L430-K434 WeakPolarHBondContact O-CD 3.38Å; L430-K434 WeakPolarHBondContact O-CG 3.17Å; L430-K434 PolarHBondContact O-N 2.71Å; L430-K434 VanDerWaalsContact O-N 3.08Å
431T90Very high82.3Confident65 Ų6595.9 Ų95.940%0.39950%0.496SS..Hα-helixtrans-72.1-45.4173.7-55.40000109.9M427 D428 Q433 K434 K435M427-T431 HydrophobicContact CB-CG2 4.42Å; M427-T431 HydrophobicContact CG-CG2 4.32Å; M427-T431 HydrophobicContact SD-CG2 3.87Å; D428-T431 CarbonylContact O-C 3.6Å; D428-T431 WeakPolarHBondContact O-CA 3.27Å; D428-T431 WeakPolarHBondContact O-CB 3.48Å; D428-T431 PolarHBondContact O-N 2.98Å; T431-Q433 PolarHBondContact O-N 2.66Å; T431-K434 PolarHBondContact O-N 2.97Å; T431-K435 WeakPolarHBondContact O-CB 3.35Å; T431-K435 PolarHBondContact O-N 3.31Å
432R90.4Very high84.2Confident76 Ų7696.5 Ų96.529%0.28749%0.489SS..Hα-helixtrans-55.3-48173.4-149.1-175.4-162.1-86.61.5111.6L424 D425 M427 D428 F429 K435 L436L424-R432 HydrophobicContact CD2-CG 3.63Å; L424-R432 WeakPolarHBondContact O-CD 3.41Å; L424-R432 PolarHBondContact O-NE 2.83Å; L424-R432 PolarHBondContact O-NH2 3.03Å; D425-R432 IonicContact OD1-CZ 2.64Å; D425-R432 IonicContact OD1-NE 2.66Å; D425-R432 IonicContact OD1-NH2 2.66Å; D425-R432 PolarHBondContact OD1-NH2 3.37Å; M427-R432 HydrophobicContact CB-CB 4.43Å; M427-R432 HydrophobicContact CE-CG 4.36Å; D428-R432 PolarHBondContact O-N 3.01Å; F429-R432 PolarHBondContact O-N 2.9Å; R432-K435 PolarHBondContact O-N 3.44Å; R432-L436 HydrophobicContact CG-CD1 4.45Å; R432-L436 WeakPolarHBondContact O-CB 3.5Å; R432-L436 WeakPolarHBondContact O-CG 3.4Å; R432-L436 PolarHBondContact O-N 2.95Å
433Q89.5Confident86.2Confident101 Ų10193.5 Ų93.547%0.47249%0.485SS..Hα-helixtrans-61-44.2176.6-174.5-175.11300111.9F429 T431 Q437F429-Q433 VanDerWaalsContact O-CB 3.25Å; F429-Q433 WeakPolarHBondContact O-CB 3.42Å; F429-Q433 PolarHBondContact O-N 3.38Å; T431-Q433 PolarHBondContact O-N 2.66Å; Q433-Q437 VanDerWaalsContact O-CB 3.28Å; Q433-Q437 WeakPolarHBondContact O-CB 3.16Å; Q433-Q437 PolarHBondContact O-N 3.49Å
434K90.7Very high87.8Confident129 Ų12997.8 Ų97.856%0.56150%0.503SS*.Hα-helixtrans-65.1-43176.8-76.1169.3-179.4178.60112.3L430 T431 Q437 A438L430-K434 WeakPolarHBondContact O-CB 3.47Å; L430-K434 WeakPolarHBondContact O-CD 3.38Å; L430-K434 WeakPolarHBondContact O-CG 3.17Å; L430-K434 PolarHBondContact O-N 2.71Å; L430-K434 VanDerWaalsContact O-N 3.08Å; T431-K434 PolarHBondContact O-N 2.97Å; K434-Q437 PolarHBondContact O-N 3.02Å; K434-A438 WeakPolarHBondContact O-CB 3.47Å; K434-A438 PolarHBondContact O-N 3.36Å
435K92.6Very high89.2Confident81 Ų8197.8 Ų97.835%0.35251%0.513SS..Hα-helixtrans-61.7-50.6179-158.2170.3-170.61710110.5E422 M427 T431 R432 Q437 A438 E439E422-K435 IonicContact OE2-NZ 3.5Å; E422-K435 PolarHBondContact OE2-NZ 3.01Å; M427-K435 HydrophobicContact CE-CD 3.54Å; M427-K435 HydrophobicContact SD-CD 3.59Å; M427-K435 VanDerWaalsContact SD-CD 3.59Å; T431-K435 WeakPolarHBondContact O-CB 3.35Å; T431-K435 PolarHBondContact O-N 3.31Å; R432-K435 PolarHBondContact O-N 3.44Å; K435-Q437 PolarHBondContact O-N 3.16Å; K435-A438 PolarHBondContact O-N 3.47Å; K435-E439 WeakPolarHBondContact O-CB 3.33Å; K435-E439 PolarHBondContact O-N 3.28Å
436L92.3Very high90.5Very high71 Ų7197.3 Ų97.337%0.37251%0.508SS..Hα-helixtrans-62.7-37.6175.5-68168.5000112.9R432 A440R432-L436 HydrophobicContact CG-CD1 4.45Å; R432-L436 WeakPolarHBondContact O-CB 3.5Å; R432-L436 WeakPolarHBondContact O-CG 3.4Å; R432-L436 PolarHBondContact O-N 2.95Å; L436-A440 WeakPolarHBondContact O-CB 3.24Å; L436-A440 PolarHBondContact O-N 3.03Å
437Q91.8Very high91.1Very high110 Ų11092.8 Ų92.851%0.51449%0.491SS..Hα-helixtrans-69-35.4176-161.2-163.851.500112.1Q433 K434 K435 K441Q433-Q437 VanDerWaalsContact O-CB 3.28Å; Q433-Q437 WeakPolarHBondContact O-CB 3.16Å; Q433-Q437 PolarHBondContact O-N 3.49Å; K434-Q437 PolarHBondContact O-N 3.02Å; K435-Q437 PolarHBondContact O-N 3.16Å; Q437-K441 VanDerWaalsContact CD-NZ 3.33Å; Q437-K441 HydrophobicContact CG-CD 4.42Å; Q437-K441 WeakPolarHBondContact O-CB 3.44Å; Q437-K441 WeakPolarHBondContact O-CD 3.49Å; Q437-K441 WeakPolarHBondContact O-CG 3.49Å; Q437-K441 PolarHBondContact O-N 2.77Å; Q437-K441 VanDerWaalsContact O-N 3.11Å
438A93.1Very high91.9Very high51 Ų5198.4 Ų98.442%0.42151%0.514SS..Hα-helixtrans-68.4-44.5174.600000111.2K434 K435 K441 M442K434-A438 WeakPolarHBondContact O-CB 3.47Å; K434-A438 PolarHBondContact O-N 3.36Å; K435-A438 PolarHBondContact O-N 3.47Å; A438-K441 PolarHBondContact O-N 2.92Å; A438-M442 WeakPolarHBondContact O-CG 3.42Å; A438-M442 PolarHBondContact O-N 2.92Å
439E92.8Very high92.3Very high120 Ų12095.8 Ų95.856%0.56151%0.505SS*.Hα-helixtrans-56.9-51.3174.5-174.3-178.1169.800111.7K435 K441 M442 A443K435-E439 WeakPolarHBondContact O-CB 3.33Å; K435-E439 PolarHBondContact O-N 3.28Å; E439-K441 VanDerWaalsContact C-N 3.33Å; E439-K441 PolarHBondContact O-N 3.2Å; E439-M442 PolarHBondContact O-N 2.9Å; E439-M442 VanDerWaalsContact O-N 3.16Å; E439-A443 WeakPolarHBondContact O-CB 3.47Å; E439-A443 PolarHBondContact O-N 2.94Å
440A92.7Very high92.7Very high50 Ų5093.7 Ų93.741%0.41350%0.499SS..Hα-helixtrans-60.2-39.7177.200000112.8L436 A443 L444L436-A440 WeakPolarHBondContact O-CB 3.24Å; L436-A440 PolarHBondContact O-N 3.03Å; A440-A443 PolarHBondContact O-N 2.82Å; A440-L444 WeakPolarHBondContact O-CB 3.43Å; A440-L444 VanDerWaalsContact O-CG 3.29Å; A440-L444 WeakPolarHBondContact O-CG 3.44Å; A440-L444 PolarHBondContact O-N 3.11Å
441K94.4Very high93Very high121 Ų12191.6 Ų91.653%0.52650%0.495SS..Hα-helixtrans-64-42.9174.7-77166.9177.7169.90112Q437 A438 E439 A445Q437-K441 VanDerWaalsContact CD-NZ 3.33Å; Q437-K441 HydrophobicContact CG-CD 4.42Å; Q437-K441 WeakPolarHBondContact O-CB 3.44Å; Q437-K441 WeakPolarHBondContact O-CD 3.49Å; Q437-K441 WeakPolarHBondContact O-CG 3.49Å; Q437-K441 PolarHBondContact O-N 2.77Å; Q437-K441 VanDerWaalsContact O-N 3.11Å; A438-K441 PolarHBondContact O-N 2.92Å; E439-K441 VanDerWaalsContact C-N 3.33Å; E439-K441 PolarHBondContact O-N 3.2Å; K441-A445 WeakPolarHBondContact O-CB 3.5Å; K441-A445 PolarHBondContact O-N 3.41Å
442M93.8Very high93.3Very high122 Ų12295.9 Ų95.960%0.60151%0.509SS*.Hα-helixtrans-65.6-44.4176.4-71-63.7-172.800111.7A438 E439 L444 A445 M446A438-M442 WeakPolarHBondContact O-CG 3.42Å; A438-M442 PolarHBondContact O-N 2.92Å; E439-M442 PolarHBondContact O-N 2.9Å; E439-M442 VanDerWaalsContact O-N 3.16Å; M442-L444 PolarHBondContact O-N 2.93Å; M442-A445 PolarHBondContact O-N 2.85Å; M442-M446 WeakPolarHBondContact O-CB 3.41Å; M442-M446 WeakPolarHBondContact O-CG 3.34Å; M442-M446 PolarHBondContact O-N 3.1Å
443A93.9Very high93.5Very high61 Ų6198.1 Ų98.150%0.50452%0.524SS..Hα-helixtrans-59.6-46.2177.100000112E439 A440 A445 M446 A447E439-A443 WeakPolarHBondContact O-CB 3.47Å; E439-A443 PolarHBondContact O-N 2.94Å; A440-A443 PolarHBondContact O-N 2.82Å; A443-A445 PolarHBondContact O-N 2.95Å; A443-M446 PolarHBondContact O-N 3.26Å; A443-A447 PolarHBondContact O-N 3.25Å
444L93.2Very high93.7Very high137 Ų13797.8 Ų97.872%0.71752%0.522SS*.Hα-helixtrans-63.2-39175.7-72.3169.9000112.5A440 M442A440-L444 WeakPolarHBondContact O-CB 3.43Å; A440-L444 VanDerWaalsContact O-CG 3.29Å; A440-L444 WeakPolarHBondContact O-CG 3.44Å; A440-L444 PolarHBondContact O-N 3.11Å; M442-L444 PolarHBondContact O-N 2.93Å
445A95.2Very high93.7Very high69 Ų6996 Ų9657%0.5752%0.522SS*.Hα-helixtrans-65.6-37.7174.800000112.6K441 M442 A443 P449K441-A445 WeakPolarHBondContact O-CB 3.5Å; K441-A445 PolarHBondContact O-N 3.41Å; M442-A445 PolarHBondContact O-N 2.85Å; A443-A445 PolarHBondContact O-N 2.95Å; A445-P449 VanDerWaalsContact O-CD 3.24Å; A445-P449 WeakPolarHBondContact O-CD 3.5Å
446M95.4Very high93.6Very high119 Ų11995.8 Ų95.859%0.58652%0.522SS*.Hα-helixtrans-78.3-24.1178.8-69-174.2-171.200113.9M442 A443 K448 P449 M450M442-M446 WeakPolarHBondContact O-CB 3.41Å; M442-M446 WeakPolarHBondContact O-CG 3.34Å; M442-M446 PolarHBondContact O-N 3.1Å; A443-M446 PolarHBondContact O-N 3.26Å; M446-K448 PolarHBondContact O-N 3.37Å; M446-P449 WeakPolarHBondContact O-CD 3.45Å; M446-P449 VanDerWaalsContact O-CG 3.29Å; M446-P449 WeakPolarHBondContact O-CG 3.4Å; M446-M450 WeakPolarHBondContact O-CB 3.27Å; M446-M450 PolarHBondContact O-N 3.02Å
447A92.8Very high93.6Very high47 Ų4795.5 Ų95.539%0.38852%0.523SS..Hα-helixtrans-56-45.7-176.200000113.6A443 M450 A451A443-A447 PolarHBondContact O-N 3.25Å; A447-M450 PolarHBondContact O-N 3.29Å; A447-A451 WeakPolarHBondContact O-CB 3.3Å; A447-A451 PolarHBondContact O-N 3.01Å
448K93.6Very high93.4Very high143 Ų14394 Ų9462%0.62252%0.517SS*.Hα-helixtrans-67.9-46.7-178.1-164.7170.6-173.5171.70113.9M446 K452M446-K448 PolarHBondContact O-N 3.37Å; K448-K452 PolarHBondContact O-N 2.95Å
449P96.6Very high93Very high76 Ų7696.2 Ų96.249%0.49452%0.516SS..Hα-helixtrans-68.6-36172.124.1-31.9000112.9A445 M446 K452 M453A445-P449 VanDerWaalsContact O-CD 3.24Å; A445-P449 WeakPolarHBondContact O-CD 3.5Å; M446-P449 WeakPolarHBondContact O-CD 3.45Å; M446-P449 VanDerWaalsContact O-CG 3.29Å; M446-P449 WeakPolarHBondContact O-CG 3.4Å; P449-K452 PolarHBondContact O-N 3.47Å; P449-M453 PolarHBondContact O-N 2.91Å
450M94.4Very high92.4Very high118 Ų11896.3 Ų96.358%0.58152%0.517SS*.Hα-helixtrans-62.3-43.7176.2-174.1171.869.900111.8M446 A447 K452 M453 Q454M446-M450 WeakPolarHBondContact O-CB 3.27Å; M446-M450 PolarHBondContact O-N 3.02Å; A447-M450 PolarHBondContact O-N 3.29Å; M450-K452 PolarHBondContact O-N 3.42Å; M450-M453 HydrophobicContact CG-CE 4.39Å; M450-M453 WeakPolarHBondContact O-CB 3.43Å; M450-M453 PolarHBondContact O-N 3.32Å; M450-Q454 WeakPolarHBondContact O-CB 3.43Å; M450-Q454 PolarHBondContact O-N 2.95Å
451A94Very high91.9Very high56 Ų5699.9 Ų99.946%0.46353%0.529SS..Hα-helixtrans-61.9-39.6174.500000112.7A447 Q454 V455A447-A451 WeakPolarHBondContact O-CB 3.3Å; A447-A451 PolarHBondContact O-N 3.01Å; A451-Q454 PolarHBondContact O-N 3.25Å; A451-V455 WeakPolarHBondContact O-CG2 3.34Å; A451-V455 PolarHBondContact O-N 3.48Å; A451-V455 VanDerWaalsContact O-N 3.08Å
452K96.2Very high91.1Very high155 Ų15599.9 Ų99.967%0.67453%0.526SS*.Hα-helixtrans-63.3-42.8173.5-76.1-175.8174.4-1730112.3K448 P449 M450 V455 E456K448-K452 PolarHBondContact O-N 2.95Å; P449-K452 PolarHBondContact O-N 3.47Å; M450-K452 PolarHBondContact O-N 3.42Å; K452-V455 PolarHBondContact O-N 2.95Å; K452-E456 PolarHBondContact O-N 2.81Å
453M95.3Very high89.8Confident123 Ų123104.1 Ų104.161%0.60654%0.541SS*.Hα-helixtrans-61.6-46176.5-178.9177.468.600110.9P449 M450 V455 E456 V457P449-M453 PolarHBondContact O-N 2.91Å; M450-M453 HydrophobicContact CG-CE 4.39Å; M450-M453 WeakPolarHBondContact O-CB 3.43Å; M450-M453 PolarHBondContact O-N 3.32Å; M453-V455 PolarHBondContact O-N 2.98Å; M453-E456 PolarHBondContact O-N 2.95Å; M453-V457 WeakPolarHBondContact O-CG2 3.46Å; M453-V457 PolarHBondContact O-N 3.49Å
454Q93Very high88.6Confident95 Ų95109.5 Ų109.544%0.44455%0.553SS.*Hα-helixtrans-58.4-47177.9-178.460.721.800112.2M450 A451 E456 V457 E458M450-Q454 WeakPolarHBondContact O-CB 3.43Å; M450-Q454 PolarHBondContact O-N 2.95Å; A451-Q454 PolarHBondContact O-N 3.25Å; Q454-E456 VanDerWaalsContact C-N 3.3Å; Q454-E456 PolarHBondContact O-N 2.86Å; Q454-V457 WeakPolarHBondContact O-CB 3.25Å; Q454-V457 PolarHBondContact O-N 3.44Å; Q454-V457 VanDerWaalsContact O-N 3.15Å; Q454-E458 WeakPolarHBondContact CG-OE1 3.33Å; Q454-E458 PolarHBondContact NE2-OE1 3.19Å; Q454-E458 WeakPolarHBondContact O-CG 3.38Å; Q454-E458 PolarHBondContact O-N 3.42Å
455V91.1Very high87.4Confident91 Ų91103.6 Ų103.655%0.55252%0.523SS*.Hα-helixtrans-61.8-35.3177.9169.80000112.4A451 K452 M453 K459A451-V455 WeakPolarHBondContact O-CG2 3.34Å; A451-V455 PolarHBondContact O-N 3.48Å; A451-V455 VanDerWaalsContact O-N 3.08Å; K452-V455 PolarHBondContact O-N 2.95Å; M453-V455 PolarHBondContact O-N 2.98Å; V455-K459 VanDerWaalsContact O-CB 3.22Å; V455-K459 WeakPolarHBondContact O-CB 3.35Å; V455-K459 PolarHBondContact O-N 2.82Å
456E90.3Very high86.3Confident76 Ų76103.9 Ų103.936%0.35552%0.519SS..Hα-helixtrans-72.4-41.1173.9-171.557.8-140.700111.7K452 M453 Q454 E458 K459 Q460K452-E456 PolarHBondContact O-N 2.81Å; M453-E456 PolarHBondContact O-N 2.95Å; Q454-E456 VanDerWaalsContact C-N 3.3Å; Q454-E456 PolarHBondContact O-N 2.86Å; E456-E458 VanDerWaalsContact C-N 3.34Å; E456-E458 PolarHBondContact O-N 2.86Å; E456-K459 WeakPolarHBondContact O-CB 3.47Å; E456-K459 PolarHBondContact O-N 3.06Å; E456-K459 IonicContact OE1-NZ 2.73Å; E456-K459 PolarHBondContact OE1-NZ 2.85Å; E456-K459 IonicContact OE2-NZ 3.93Å; E456-K459 PolarHBondContact OE2-NZ 2.92Å; E456-Q460 WeakPolarHBondContact O-CG 3.29Å; E456-Q460 PolarHBondContact O-N 3.42Å; E456-Q460 PolarHBondContact OE1-NE2 3.43Å
457V91.5Very high85.4Confident66 Ų6698.3 Ų98.340%0.449%0.492SS..Hα-helixtrans-58-45174.1169.10000111M453 Q454 Q460 N461M453-V457 WeakPolarHBondContact O-CG2 3.46Å; M453-V457 PolarHBondContact O-N 3.49Å; Q454-V457 WeakPolarHBondContact O-CB 3.25Å; Q454-V457 PolarHBondContact O-N 3.44Å; Q454-V457 VanDerWaalsContact O-N 3.15Å; V457-Q460 PolarHBondContact O-N 3.37Å; V457-N461 WeakPolarHBondContact O-CB 3.44Å; V457-N461 PolarHBondContact O-N 2.88Å; V457-N461 PolarHBondContact O-ND2 3.45Å
458E88.6Confident84.4Confident79 Ų7997.5 Ų97.537%0.36949%0.485SS..Hα-helixtrans-63.3-43.8175.2-72.7167-175.600111.9Q454 E456 Q460 N461 R462Q454-E458 WeakPolarHBondContact CG-OE1 3.33Å; Q454-E458 PolarHBondContact NE2-OE1 3.19Å; Q454-E458 WeakPolarHBondContact O-CG 3.38Å; Q454-E458 PolarHBondContact O-N 3.42Å; E456-E458 VanDerWaalsContact C-N 3.34Å; E456-E458 PolarHBondContact O-N 2.86Å; E458-Q460 VanDerWaalsContact C-N 3.28Å; E458-Q460 PolarHBondContact O-N 3.34Å; E458-N461 CarbonylContact O-C 3.57Å; E458-N461 PolarHBondContact O-N 3.18Å; E458-N461 VanDerWaalsContact O-N 3.09Å; E458-R462 PolarHBondContact O-N 3.04Å
459K85.2Confident83.7Confident96 Ų9697.2 Ų97.242%0.41749%0.491SS..Hα-helixtrans-60.2-33.3175.7167.8167.2158.9-85.90113.1V455 E456V455-K459 VanDerWaalsContact O-CB 3.22Å; V455-K459 WeakPolarHBondContact O-CB 3.35Å; V455-K459 PolarHBondContact O-N 2.82Å; E456-K459 WeakPolarHBondContact O-CB 3.47Å; E456-K459 PolarHBondContact O-N 3.06Å; E456-K459 IonicContact OE1-NZ 2.73Å; E456-K459 PolarHBondContact OE1-NZ 2.85Å; E456-K459 IonicContact OE2-NZ 3.93Å; E456-K459 PolarHBondContact OE2-NZ 2.92Å
460Q79.9Confident82.8Confident123 Ų12399 Ų9958%0.57550%0.495SS*.Hα-helixtrans-78.3-30.9172.8-63-62.4-2900113E456 V457 E458E456-Q460 WeakPolarHBondContact O-CG 3.29Å; E456-Q460 PolarHBondContact O-N 3.42Å; E456-Q460 PolarHBondContact OE1-NE2 3.43Å; V457-Q460 PolarHBondContact O-N 3.37Å; E458-Q460 VanDerWaalsContact C-N 3.28Å; E458-Q460 PolarHBondContact O-N 3.34Å
461N81.7Confident82Confident124 Ų12493.6 Ų93.666%0.66347%0.469SS*.Hα-helixtrans-86.6-6.7-179.1-79.9-76.9000114.8V457 E458 K463V457-N461 WeakPolarHBondContact O-CB 3.44Å; V457-N461 PolarHBondContact O-N 2.88Å; V457-N461 PolarHBondContact O-ND2 3.45Å; E458-N461 CarbonylContact O-C 3.57Å; E458-N461 PolarHBondContact O-N 3.18Å; E458-N461 VanDerWaalsContact O-N 3.09Å; N461-K463 PolarHBondContact O-N 3.08Å
462R76.7Confident81Confident122 Ų12295.9 Ų95.946%0.4648%0.479SS..SBendtrans-55.6131.4175.5-80.2-160.1172.598.22.9111.1E458 K464 E516E458-R462 PolarHBondContact O-N 3.04Å; R462-K464 PolarHBondContact O-N 3.21Å; R462-E516 IonicContact CZ-OE1 2.64Å; R462-E516 IonicContact NE-OE1 3.03Å; R462-E516 IonicContact NE-OE2 2.97Å; R462-E516 IonicContact NH2-OE1 3.66Å; R462-E516 PolarHBondContact NH2-OE1 3.49Å
463K68.1Low79.9Confident210 Ų21097 Ų9791%0.91349%0.486SS*.PPolyproline II helixtrans-55.4123.2-177.9-65.4171.6-175.5166.80109.7N461N461-K463 PolarHBondContact O-N 3.08Å
464K66.8Low78.9Confident174 Ų17494.3 Ų94.376%0.75747%0.473SS*.PPolyproline II helixtrans-65.5138175.7-63.6177.7-176.2177.20109.1R462R462-K464 PolarHBondContact O-N 3.21Å
465S68.7Low77.8Confident13 Ų1394.2 Ų94.29%0.09148%0.48CS..PPolyproline II helixtrans-57.1125.2-179.4165.40000111.2V467 A468 D505S465-V467 PolarHBondContact O-N 3.03Å; S465-V467 VanDerWaalsContact OG-CB 3.28Å; S465-V467 WeakPolarHBondContact OG-CB 3.41Å; S465-V467 VanDerWaalsContact OG-CG2 3.23Å; S465-V467 WeakPolarHBondContact OG-CG2 3.41Å; S465-V467 PolarHBondContact OG-N 3.01Å; S465-A468 PolarHBondContact O-N 3.39Å; S465-D505 WeakPolarHBondContact CB-OD2 3.48Å; S465-D505 PolarHBondContact OG-OD1 3.33Å; S465-D505 PolarHBondContact OG-OD2 3.35Å
466P71.7Confident77.1Confident76 Ų7695.8 Ų95.849%0.49448%0.482SS..THydrogen-bonded Turntrans-64.8-6.3177.727.4-36.8000113.8A468 D469 L470 D505P466-A468 PolarHBondContact O-N 3.5Å; P466-A468 VanDerWaalsContact O-N 3.17Å; P466-D469 PolarHBondContact O-N 3.34Å; P466-L470 PolarHBondContact O-N 2.8Å; P466-D505 WeakPolarHBondContact CD-OD1 3.4Å
467V76.6Confident76.5Confident1 Ų192.3 Ų92.31%0.00647%0.465CS..Hα-helixtrans-54.4-29169.31750000112.1S465 D469 L470 L471 I477 L481 V501 I502 D505S465-V467 PolarHBondContact O-N 3.03Å; S465-V467 VanDerWaalsContact OG-CB 3.28Å; S465-V467 WeakPolarHBondContact OG-CB 3.41Å; S465-V467 VanDerWaalsContact OG-CG2 3.23Å; S465-V467 WeakPolarHBondContact OG-CG2 3.41Å; S465-V467 PolarHBondContact OG-N 3.01Å; V467-D469 VanDerWaalsContact C-N 3.32Å; V467-D469 PolarHBondContact O-N 3.1Å; V467-L470 PolarHBondContact O-N 3.1Å; V467-L471 HydrophobicContact CG1-CB 4.48Å; V467-L471 HydrophobicContact CG1-CD1 3.47Å; V467-L471 VanDerWaalsContact CG1-CD1 3.47Å; V467-L471 HydrophobicContact CG1-CG 3.91Å; V467-L471 WeakPolarHBondContact O-CB 3.42Å; V467-L471 PolarHBondContact O-N 3.29Å; V467-I477 HydrophobicContact CG1-CG2 3.93Å; V467-L481 HydrophobicContact CB-CD1 4.02Å; V467-L481 HydrophobicContact CG1-CD1 3.96Å; V467-L481 HydrophobicContact CG2-CD1 4.27Å; V467-V501 HydrophobicContact CG2-CG1 4.21Å; V467-I502 HydrophobicContact CG1-CG1 3.87Å; V467-D505 HydrophobicContact CG2-CB 3.36Å
468A73.1Confident75.7Confident31 Ų3190.5 Ų90.526%0.25646%0.456SS..Hα-helixtrans-53.8-46.9176.400000112.7S465 P466S465-A468 PolarHBondContact O-N 3.39Å; P466-A468 PolarHBondContact O-N 3.5Å; P466-A468 VanDerWaalsContact O-N 3.17Å
469D77.2Confident75.2Confident137 Ų13790.8 Ų90.873%0.73346%0.457SS*.Hα-helixtrans-76.1-28.5-177.3-57.5-39.2000111.6P466 V467P466-D469 PolarHBondContact O-N 3.34Å; V467-D469 VanDerWaalsContact C-N 3.32Å; V467-D469 PolarHBondContact O-N 3.1Å
470L79.2Confident75Confident113 Ų11387.8 Ų87.859%0.59245%0.448SS*.Hα-helixtrans-82.4-19.6178.6-61.8176.8000113.5P466 V467 P472 V501P466-L470 PolarHBondContact O-N 2.8Å; V467-L470 PolarHBondContact O-N 3.1Å; L470-P472 VanDerWaalsContact C-CD 3.42Å; L470-P472 WeakPolarHBondContact O-CD 3.48Å; L470-V501 HydrophobicContact CB-CG1 4.04Å; L470-V501 HydrophobicContact CD1-CG1 3.67Å
471L77.3Confident74.9Confident4 Ų482.3 Ų82.32%0.02142%0.422CS..  trans-122.563.4177.5-58.7-176.7000113.4V467 H473 M474 I477 M494 Q498 I502V467-L471 HydrophobicContact CG1-CB 4.48Å; V467-L471 HydrophobicContact CG1-CD1 3.47Å; V467-L471 VanDerWaalsContact CG1-CD1 3.47Å; V467-L471 HydrophobicContact CG1-CG 3.91Å; V467-L471 WeakPolarHBondContact O-CB 3.42Å; V467-L471 PolarHBondContact O-N 3.29Å; L471-H473 PolarHBondContact O-N 3.15Å; L471-M474 PolarHBondContact O-N 3.2Å; L471-I477 HydrophobicContact CB-CG2 4.42Å; L471-I477 HydrophobicContact CD1-CD1 3.93Å; L471-I477 HydrophobicContact CD1-CG2 4.37Å; L471-M494 HydrophobicContact CD1-SD 3.9Å; L471-Q498 HydrophobicContact CD2-CB 3.58Å; L471-Q498 HydrophobicContact CD2-CG 3.48Å; L471-Q498 VanDerWaalsContact CD2-CG 3.48Å; L471-I502 HydrophobicContact CD1-CD1 3.8Å; L471-I502 HydrophobicContact CD1-CG1 3.86Å
472P73.8Confident74.5Confident105 Ų10581.9 Ų81.968%0.68242%0.418SS*.THydrogen-bonded Turntrans-57.4-18.1-178.8-25.734.7000115.8L470 M474L470-P472 VanDerWaalsContact C-CD 3.42Å; L470-P472 WeakPolarHBondContact O-CD 3.48Å; P472-M474 VanDerWaalsContact C-N 3.29Å
473H72.7Confident74.6Confident177 Ų17782.6 Ų82.682%0.81942%0.424SS*.THydrogen-bonded Turntrans-76.6-12.6177-125.664.9000113.8L471L471-H473 PolarHBondContact O-N 3.15Å
474M72.9Confident75.3Confident68 Ų6882.8 Ų82.834%0.33542%0.419SS..  trans-131.568-177.2-68.9-67.7-74.900110.6L471 P472 H476 I477 D490L471-M474 PolarHBondContact O-N 3.2Å; P472-M474 VanDerWaalsContact C-N 3.29Å; M474-H476 PolarHBondContact O-N 3.24Å; M474-I477 HydrophobicContact CB-CB 3.94Å; M474-I477 HydrophobicContact CB-CD1 4.14Å; M474-I477 HydrophobicContact CB-CG2 4.29Å; M474-I477 VanDerWaalsContact O-CB 3.29Å; M474-I477 WeakPolarHBondContact O-CB 3.48Å; M474-I477 VanDerWaalsContact O-CG2 3.23Å; M474-I477 WeakPolarHBondContact O-CG2 3.47Å; M474-I477 PolarHBondContact O-N 2.79Å; M474-D490 HydrophobicContact CE-CB 3.88Å
475P70.4Confident75.9Confident92 Ų9276.2 Ų76.260%0.59740%0.395SS*.THydrogen-bonded Turntrans-60.2-23.7-17323.7-34.9000114.4
476H76Confident76.4Confident125 Ų12577.9 Ų77.958%0.57940%0.403SS*.THydrogen-bonded Turntrans-84.5-3.3176-61.3-74.6000114M474 S478 E479 C480M474-H476 PolarHBondContact O-N 3.24Å; H476-S478 VanDerWaalsContact C-N 3.32Å; H476-S478 PolarHBondContact O-N 2.92Å; H476-E479 IonicContact ND1-OE2 3.76Å; H476-E479 WeakPolarHBondContact O-CB 3.38Å; H476-E479 PolarHBondContact O-N 3.39Å; H476-E479 VanDerWaalsContact O-N 3.09Å; H476-C480 PolarHBondContact O-N 2.99Å
477I78Confident76.9Confident3 Ų380.1 Ų80.12%0.01541%0.405CS..Hα-helixtrans-67.6-32.1-170.9-154.6156.6000113V467 L471 M474 E479 C480 L481 L486 M494 I502V467-I477 HydrophobicContact CG1-CG2 3.93Å; L471-I477 HydrophobicContact CB-CG2 4.42Å; L471-I477 HydrophobicContact CD1-CD1 3.93Å; L471-I477 HydrophobicContact CD1-CG2 4.37Å; M474-I477 HydrophobicContact CB-CB 3.94Å; M474-I477 HydrophobicContact CB-CD1 4.14Å; M474-I477 HydrophobicContact CB-CG2 4.29Å; M474-I477 VanDerWaalsContact O-CB 3.29Å; M474-I477 WeakPolarHBondContact O-CB 3.48Å; M474-I477 VanDerWaalsContact O-CG2 3.23Å; M474-I477 WeakPolarHBondContact O-CG2 3.47Å; M474-I477 PolarHBondContact O-N 2.79Å; I477-E479 VanDerWaalsContact C-N 3.34Å; I477-C480 PolarHBondContact O-N 3.31Å; I477-L481 HydrophobicContact CG1-CD1 4.45Å; I477-L481 VanDerWaalsContact O-CB 3.31Å; I477-L481 WeakPolarHBondContact O-CB 3.49Å; I477-L481 WeakPolarHBondContact O-CD1 3.41Å; I477-L481 WeakPolarHBondContact O-CG 3.45Å; I477-L481 PolarHBondContact O-N 3.43Å; I477-L486 HydrophobicContact CD1-CD2 4.35Å; I477-L486 HydrophobicContact CG1-CD2 3.77Å; I477-M494 HydrophobicContact CD1-CE 4.26Å; I477-M494 HydrophobicContact CD1-SD 4.47Å; I477-I502 HydrophobicContact CD1-CD1 3.54Å; I477-I502 HydrophobicContact CG1-CD1 4.36Å
478S75.6Confident77.2Confident28 Ų2884.8 Ų84.820%0.19644%0.435CS..Hα-helixtrans-67.3-34.2173.352.70000112.4H476 M482H476-S478 VanDerWaalsContact C-N 3.32Å; H476-S478 PolarHBondContact O-N 2.92Å; S478-M482 WeakPolarHBondContact O-CB 3.45Å; S478-M482 PolarHBondContact O-N 3.12Å
479E78.2Confident77.6Confident85 Ų8586.9 Ų86.940%0.39745%0.445SS..Hα-helixtrans-68.9-44.5171.9-167.4-171164.800111.1H476 I477 L481 M482 K483H476-E479 IonicContact ND1-OE2 3.76Å; H476-E479 WeakPolarHBondContact O-CB 3.38Å; H476-E479 PolarHBondContact O-N 3.39Å; H476-E479 VanDerWaalsContact O-N 3.09Å; I477-E479 VanDerWaalsContact C-N 3.34Å; E479-L481 VanDerWaalsContact C-N 3.34Å; E479-L481 PolarHBondContact O-N 2.97Å; E479-M482 PolarHBondContact O-N 2.89Å; E479-K483 HydrophobicContact CG-CD 4.08Å; E479-K483 VanDerWaalsContact O-CB 3.31Å; E479-K483 WeakPolarHBondContact O-CB 3.29Å; E479-K483 WeakPolarHBondContact O-CG 3.46Å; E479-K483 PolarHBondContact O-N 2.69Å; E479-K483 WeakPolarHBondContact OE1-CE 3.43Å; E479-K483 IonicContact OE1-NZ 3.68Å; E479-K483 PolarHBondContact OE1-NZ 3.21Å
480C79.6Confident77.7Confident33 Ų3382.8 Ų82.822%0.22342%0.423CS..Hα-helixtrans-63.2-38.2175-67.70000112.4H476 I477 R484 S485 L486H476-C480 PolarHBondContact O-N 2.99Å; I477-C480 PolarHBondContact O-N 3.31Å; C480-R484 CarbonylContact O-C 3.57Å; C480-R484 PolarHBondContact O-N 2.88Å; C480-R484 VanDerWaalsContact O-N 3.09Å; C480-S485 PolarHBondContact O-N 2.69Å; C480-L486 HydrophobicContact CB-CD2 3.79Å; C480-L486 HydrophobicContact CB-CG 4.42Å
481L77.8Confident77.9Confident8 Ų879.8 Ų79.84%0.04241%0.407CS..Hα-helixtrans-64-52.7173.4-77.7163.2000111.1V467 I477 E479 K483 R484 L486 I502 L506V467-L481 HydrophobicContact CB-CD1 4.02Å; V467-L481 HydrophobicContact CG1-CD1 3.96Å; V467-L481 HydrophobicContact CG2-CD1 4.27Å; I477-L481 HydrophobicContact CG1-CD1 4.45Å; I477-L481 VanDerWaalsContact O-CB 3.31Å; I477-L481 WeakPolarHBondContact O-CB 3.49Å; I477-L481 WeakPolarHBondContact O-CD1 3.41Å; I477-L481 WeakPolarHBondContact O-CG 3.45Å; I477-L481 PolarHBondContact O-N 3.43Å; E479-L481 VanDerWaalsContact C-N 3.34Å; E479-L481 PolarHBondContact O-N 2.97Å; L481-K483 VanDerWaalsContact C-N 3.29Å; L481-K483 PolarHBondContact O-N 3.18Å; L481-R484 WeakPolarHBondContact O-CA 3.21Å; L481-R484 PolarHBondContact O-N 3.21Å; L481-L486 HydrophobicContact CD2-CD1 3.73Å; L481-L486 HydrophobicContact CD2-CG 4.37Å; L481-L486 HydrophobicContact CG-CD1 4.37Å; L481-L486 HydrophobicContact CG-CD2 4.41Å; L481-I502 HydrophobicContact CD2-CG2 4.05Å; L481-L506 HydrophobicContact CD2-CD1 4.19Å; L481-L506 HydrophobicContact CD2-CD2 3.69Å; L481-L506 HydrophobicContact CD2-CG 3.97Å
482M74.9Confident78.3Confident114 Ų11488.3 Ų88.356%0.56244%0.439SS*.Hα-helixtrans-58.5-38.3178.7-179.7-178.617300112.5S478 E479 R484S478-M482 WeakPolarHBondContact O-CB 3.45Å; S478-M482 PolarHBondContact O-N 3.12Å; E479-M482 PolarHBondContact O-N 2.89Å; M482-R484 VanDerWaalsContact C-N 3.31Å
483K78.1Confident78.8Confident138 Ų13891.1 Ų91.160%0.645%0.448SS*.THydrogen-bonded Turntrans-83.70.9175.1-67.4179.8176.3176.20113.9E479 L481 S485E479-K483 HydrophobicContact CG-CD 4.08Å; E479-K483 VanDerWaalsContact O-CB 3.31Å; E479-K483 WeakPolarHBondContact O-CB 3.29Å; E479-K483 WeakPolarHBondContact O-CG 3.46Å; E479-K483 PolarHBondContact O-N 2.69Å; E479-K483 WeakPolarHBondContact OE1-CE 3.43Å; E479-K483 IonicContact OE1-NZ 3.68Å; E479-K483 PolarHBondContact OE1-NZ 3.21Å; L481-K483 VanDerWaalsContact C-N 3.29Å; L481-K483 PolarHBondContact O-N 3.18Å; K483-S485 PolarHBondContact O-N 2.84Å
484R81.9Confident79.3Confident214 Ų21483.6 Ų83.681%0.80841%0.414SS*.THydrogen-bonded Turntrans5135.5-174.7-54.7-173.8-178.2106.9-2.1113.6C480 L481 M482C480-R484 CarbonylContact O-C 3.57Å; C480-R484 PolarHBondContact O-N 2.88Å; C480-R484 VanDerWaalsContact O-N 3.09Å; L481-R484 WeakPolarHBondContact O-CA 3.21Å; L481-R484 PolarHBondContact O-N 3.21Å; M482-R484 VanDerWaalsContact C-N 3.31Å
485S80Confident80.2Confident36 Ų3684.3 Ų84.325%0.25242%0.422SS..  trans-126.545.4-170.1-174.80000112.3C480 K483C480-S485 PolarHBondContact O-N 2.69Å; K483-S485 PolarHBondContact O-N 2.84Å
486L79.5Confident81.2Confident47 Ų4786.9 Ų86.925%0.24643%0.429CS..  trans-69.3124.3166.6-70.4172.7000110I477 C480 L481 L491 I502I477-L486 HydrophobicContact CD1-CD2 4.35Å; I477-L486 HydrophobicContact CG1-CD2 3.77Å; C480-L486 HydrophobicContact CB-CD2 3.79Å; C480-L486 HydrophobicContact CB-CG 4.42Å; L481-L486 HydrophobicContact CD2-CD1 3.73Å; L481-L486 HydrophobicContact CD2-CG 4.37Å; L481-L486 HydrophobicContact CG-CD1 4.37Å; L481-L486 HydrophobicContact CG-CD2 4.41Å; L486-L491 HydrophobicContact CD1-CD2 4.48Å; L486-L491 HydrophobicContact CD2-CD2 4.45Å; L486-I502 HydrophobicContact CD1-CG2 4.37Å
487K82.9Confident81.9Confident124 Ų12483.1 Ų83.154%0.53942%0.424SS..  trans-89.4146.3176-58.3167.3-177.6168.90110.2T489 D490K487-T489 WeakPolarHBondContact CB-OG1 3.32Å; K487-T489 PolarHBondContact O-N 3.44Å; K487-D490 WeakPolarHBondContact CB-OD2 3.13Å; K487-D490 PolarHBondContact N-OD2 3.27Å; K487-D490 PolarHBondContact O-N 3.29Å
488P82.5Confident82.5Confident99 Ų9985.8 Ų85.864%0.64344%0.437SS*.THydrogen-bonded Turntrans-63.2-8.7175-24.534.8000115.2R492P488-R492 WeakPolarHBondContact O-CD 3.25Å; P488-R492 VanDerWaalsContact O-CG 3.27Å; P488-R492 WeakPolarHBondContact O-CG 3.47Å; P488-R492 PolarHBondContact O-NE 3.01Å; P488-R492 VanDerWaalsContact O-NE 3.08Å
489T81.9Confident83.2Confident75 Ų7587.3 Ų87.346%0.4644%0.442SS..THydrogen-bonded Turntrans-69.9-49.3167.637.40000111K487 L491 R492K487-T489 WeakPolarHBondContact CB-OG1 3.32Å; K487-T489 PolarHBondContact O-N 3.44Å; T489-L491 PolarHBondContact O-N 2.89Å; T489-L491 VanDerWaalsContact O-N 3.08Å; T489-R492 PolarHBondContact O-N 2.83Å; T489-R492 VanDerWaalsContact O-N 3.11Å
490D79Confident83.9Confident50 Ų5087.9 Ų87.927%0.26745%0.445SS..THydrogen-bonded Turntrans-70.3-13-168.1-40.5-15.3000112M474 K487M474-D490 HydrophobicContact CE-CB 3.88Å; K487-D490 WeakPolarHBondContact CB-OD2 3.13Å; K487-D490 PolarHBondContact N-OD2 3.27Å; K487-D490 PolarHBondContact O-N 3.29Å
491L83.9Confident84.4Confident51 Ų5188.6 Ų88.627%0.26745%0.448SS..THydrogen-bonded Turntrans-103.1-12.2-179.8-57.2-179.7000114L486 T489 M494 L499 I502L486-L491 HydrophobicContact CD1-CD2 4.48Å; L486-L491 HydrophobicContact CD2-CD2 4.45Å; T489-L491 PolarHBondContact O-N 2.89Å; T489-L491 VanDerWaalsContact O-N 3.08Å; L491-M494 HydrophobicContact CD2-CE 3.42Å; L491-M494 VanDerWaalsContact CD2-CE 3.42Å; L491-L499 HydrophobicContact CB-CD2 4.17Å; L491-L499 HydrophobicContact CD2-CD2 4.2Å; L491-I502 HydrophobicContact CD2-CD1 4.3Å
492R84.4Confident85Confident183 Ų18388.5 Ų88.569%0.69145%0.448SS*.THydrogen-bonded Turntrans-73-41.8-174.4-81.3166.2-163.5-167.41.3113.6P488 T489 M494P488-R492 WeakPolarHBondContact O-CD 3.25Å; P488-R492 VanDerWaalsContact O-CG 3.27Å; P488-R492 WeakPolarHBondContact O-CG 3.47Å; P488-R492 PolarHBondContact O-NE 3.01Å; P488-R492 VanDerWaalsContact O-NE 3.08Å; T489-R492 PolarHBondContact O-N 2.83Å; T489-R492 VanDerWaalsContact O-N 3.11Å; R492-M494 PolarHBondContact O-N 2.95Å
493D84.2Confident85.8Confident163 Ų16385.9 Ų85.987%0.87244%0.438SS*.THydrogen-bonded Turntrans-86.29-174.1-56.3-39000112
494M83.9Confident86.5Confident20 Ų2083.3 Ų83.310%0.09943%0.431CS..SBendtrans-101138.5-173.1-170.715058.300111.6L471 I477 L491 R492 Q498 L499 I502L471-M494 HydrophobicContact CD1-SD 3.9Å; I477-M494 HydrophobicContact CD1-CE 4.26Å; I477-M494 HydrophobicContact CD1-SD 4.47Å; L491-M494 HydrophobicContact CD2-CE 3.42Å; L491-M494 VanDerWaalsContact CD2-CE 3.42Å; R492-M494 PolarHBondContact O-N 2.95Å; M494-Q498 HydrophobicContact CG-CB 3.32Å; M494-Q498 HydrophobicContact CG-CG 4.24Å; M494-Q498 HydrophobicContact SD-CB 3.75Å; M494-L499 HydrophobicContact CB-CG 4.42Å; M494-L499 HydrophobicContact CE-CD2 3.7Å; M494-L499 HydrophobicContact CE-CG 4.21Å; M494-L499 HydrophobicContact CG-CG 4.3Å; M494-I502 HydrophobicContact CE-CD1 3.32Å; M494-I502 HydrophobicContact SD-CD1 4.11Å
495T90.7Very high86.8Confident82 Ų8274 Ų7450%0.50340%0.397SS..  trans-71.4156.4-178.567.10000112.2G497 Q498 L499T495-G497 PolarHBondContact O-N 3.07Å; T495-Q498 WeakPolarHBondContact O-CB 3.38Å; T495-Q498 PolarHBondContact O-N 3.02Å; T495-Q498 WeakPolarHBondContact OG1-CG 3.4Å; T495-Q498 PolarHBondContact OG1-OE1 3.05Å; T495-L499 PolarHBondContact O-N 2.98Å
496I91.7Very high87.3Confident146 Ų14675.2 Ų75.275%0.74940%0.4SS*.Hα-helixtrans-53.9-38.6178.5-59.3172.4000111.6L499 Q500I496-L499 PolarHBondContact O-N 3.4Å; I496-Q500 WeakPolarHBondContact O-CB 3.48Å; I496-Q500 PolarHBondContact O-N 3.25Å
497G91.5Very high88Confident47 Ų4777.7 Ų77.749%0.48541%0.411SS..Hα-helixtrans-66.6-38.4177.500000113.5T495 Q500 V501T495-G497 PolarHBondContact O-N 3.07Å; G497-Q500 PolarHBondContact O-N 2.68Å; G497-V501 WeakPolarHBondContact O-CG2 3.22Å; G497-V501 PolarHBondContact O-N 3.15Å
498Q90.3Very high88.4Confident59 Ų5975 Ų7528%0.27641%0.407SS..Hα-helixtrans-70.9-38176-67.1168.4-71.500111.7L471 M494 T495 Q500 V501 I502L471-Q498 HydrophobicContact CD2-CB 3.58Å; L471-Q498 HydrophobicContact CD2-CG 3.48Å; L471-Q498 VanDerWaalsContact CD2-CG 3.48Å; M494-Q498 HydrophobicContact CG-CB 3.32Å; M494-Q498 HydrophobicContact CG-CG 4.24Å; M494-Q498 HydrophobicContact SD-CB 3.75Å; T495-Q498 WeakPolarHBondContact O-CB 3.38Å; T495-Q498 PolarHBondContact O-N 3.02Å; T495-Q498 WeakPolarHBondContact OG1-CG 3.4Å; T495-Q498 PolarHBondContact OG1-OE1 3.05Å; Q498-Q500 VanDerWaalsContact C-N 3.33Å; Q498-V501 PolarHBondContact O-N 3.45Å; Q498-I502 PolarHBondContact O-N 3.12Å
499L90.5Very high88.8Confident60 Ų6073 Ų7331%0.31439%0.389SS..Hα-helixtrans-61.6-41170.2-72.8163.6000111.4L491 M494 T495 I496 V501 I502 V503L491-L499 HydrophobicContact CB-CD2 4.17Å; L491-L499 HydrophobicContact CD2-CD2 4.2Å; M494-L499 HydrophobicContact CB-CG 4.42Å; M494-L499 HydrophobicContact CE-CD2 3.7Å; M494-L499 HydrophobicContact CE-CG 4.21Å; M494-L499 HydrophobicContact CG-CG 4.3Å; T495-L499 PolarHBondContact O-N 2.98Å; I496-L499 PolarHBondContact O-N 3.4Å; L499-V501 VanDerWaalsContact C-N 3.35Å; L499-V501 PolarHBondContact O-N 3.44Å; L499-I502 PolarHBondContact O-N 2.82Å; L499-V503 WeakPolarHBondContact O-CG2 3.28Å; L499-V503 PolarHBondContact O-N 2.91Å
500Q92.6Very high89.2Confident97 Ų9773.9 Ų73.945%0.45339%0.39SS..Hα-helixtrans-63.9-37.4175.9-168.566.557.900112.4I496 G497 Q498 I502 V503 N504I496-Q500 WeakPolarHBondContact O-CB 3.48Å; I496-Q500 PolarHBondContact O-N 3.25Å; G497-Q500 PolarHBondContact O-N 2.68Å; Q498-Q500 VanDerWaalsContact C-N 3.33Å; Q500-I502 VanDerWaalsContact C-N 3.34Å; Q500-I502 PolarHBondContact O-N 3.23Å; Q500-V503 PolarHBondContact O-N 3.11Å; Q500-N504 PolarHBondContact NE2-OD1 3.35Å; Q500-N504 WeakPolarHBondContact O-CB 3.22Å; Q500-N504 PolarHBondContact O-N 3.26Å; Q500-N504 PolarHBondContact O-OD1 3.39Å
501V91.2Very high90Very high47 Ų4777 Ų7729%0.28540%0.403SS..Hα-helixtrans-59.4-44.7173165.30000111.1V467 L470 G497 Q498 L499 D505V467-V501 HydrophobicContact CG2-CG1 4.21Å; L470-V501 HydrophobicContact CB-CG1 4.04Å; L470-V501 HydrophobicContact CD1-CG1 3.67Å; G497-V501 WeakPolarHBondContact O-CG2 3.22Å; G497-V501 PolarHBondContact O-N 3.15Å; Q498-V501 PolarHBondContact O-N 3.45Å; L499-V501 VanDerWaalsContact C-N 3.35Å; L499-V501 PolarHBondContact O-N 3.44Å; V501-D505 WeakPolarHBondContact O-CB 3.2Å; V501-D505 PolarHBondContact O-N 2.98Å
502I88.9Confident90.3Very high7 Ų777.3 Ų77.34%0.03641%0.41CS..Hα-helixtrans-65-44.5175.8-65.9177.7000111.8V467 L471 I477 L481 L486 L491 M494 Q498 L499 Q500 N504 D505 L506V467-I502 HydrophobicContact CG1-CG1 3.87Å; L471-I502 HydrophobicContact CD1-CD1 3.8Å; L471-I502 HydrophobicContact CD1-CG1 3.86Å; I477-I502 HydrophobicContact CD1-CD1 3.54Å; I477-I502 HydrophobicContact CG1-CD1 4.36Å; L481-I502 HydrophobicContact CD2-CG2 4.05Å; L486-I502 HydrophobicContact CD1-CG2 4.37Å; L491-I502 HydrophobicContact CD2-CD1 4.3Å; M494-I502 HydrophobicContact CE-CD1 3.32Å; M494-I502 HydrophobicContact SD-CD1 4.11Å; Q498-I502 PolarHBondContact O-N 3.12Å; L499-I502 PolarHBondContact O-N 2.82Å; Q500-I502 VanDerWaalsContact C-N 3.34Å; Q500-I502 PolarHBondContact O-N 3.23Å; I502-N504 VanDerWaalsContact C-N 3.34Å; I502-N504 PolarHBondContact O-N 3.4Å; I502-D505 PolarHBondContact O-N 3.46Å; I502-L506 HydrophobicContact CG2-CD1 3.75Å; I502-L506 HydrophobicContact CG2-CG 4.2Å; I502-L506 WeakPolarHBondContact O-CB 3.45Å; I502-L506 WeakPolarHBondContact O-CG 3.38Å; I502-L506 PolarHBondContact O-N 3.41Å
503V91.2Very high90.7Very high59 Ų5971.1 Ų71.136%0.35839%0.39SS..Hα-helixtrans-63-42-179.9168.20000111L499 Q500 L506 H507L499-V503 WeakPolarHBondContact O-CG2 3.28Å; L499-V503 PolarHBondContact O-N 2.91Å; Q500-V503 PolarHBondContact O-N 3.11Å; V503-L506 PolarHBondContact O-N 3.15Å; V503-H507 WeakPolarHBondContact CG1-CE1 3.18Å; V503-H507 VanDerWaalsContact O-CG 3.27Å; V503-H507 PolarHBondContact O-N 3.07Å; V503-H507 PolarHBondContact O-ND1 2.98Å
504N93Very high91.3Very high83 Ų8367.7 Ų67.744%0.44437%0.372SS..Hα-helixtrans-63.5-47.2175.9-69.22.3000111.5Q500 I502 L506 H507 S508Q500-N504 PolarHBondContact NE2-OD1 3.35Å; Q500-N504 WeakPolarHBondContact O-CB 3.22Å; Q500-N504 PolarHBondContact O-N 3.26Å; Q500-N504 PolarHBondContact O-OD1 3.39Å; I502-N504 VanDerWaalsContact C-N 3.34Å; I502-N504 PolarHBondContact O-N 3.4Å; N504-L506 PolarHBondContact O-N 2.85Å; N504-H507 PolarHBondContact O-N 2.89Å; N504-S508 PolarHBondContact O-N 2.88Å; N504-S508 PolarHBondContact O-OG 3.24Å
505D89.6Confident91.8Very high20 Ų2072.6 Ų72.611%0.10740%0.395CS..Hα-helixtrans-63-40.1177.8-178.782.8000112.5S465 P466 V467 V501 I502 S508 Q509S465-D505 WeakPolarHBondContact CB-OD2 3.48Å; S465-D505 PolarHBondContact OG-OD1 3.33Å; S465-D505 PolarHBondContact OG-OD2 3.35Å; P466-D505 WeakPolarHBondContact CD-OD1 3.4Å; V467-D505 HydrophobicContact CG2-CB 3.36Å; V501-D505 WeakPolarHBondContact O-CB 3.2Å; V501-D505 PolarHBondContact O-N 2.98Å; I502-D505 PolarHBondContact O-N 3.46Å; D505-S508 PolarHBondContact O-N 2.93Å; D505-Q509 WeakPolarHBondContact O-CB 3.23Å; D505-Q509 WeakPolarHBondContact O-CG 3.09Å; D505-Q509 PolarHBondContact O-N 3.46Å; D505-Q509 PolarHBondContact OD2-NE2 3.43Å
506L90.2Very high92Very high60 Ų6071.8 Ų71.831%0.31439%0.385SS..Hα-helixtrans-65-39.8174.5-76.8174.1000112.2L481 I502 V503 N504 Q509 I510L481-L506 HydrophobicContact CD2-CD1 4.19Å; L481-L506 HydrophobicContact CD2-CD2 3.69Å; L481-L506 HydrophobicContact CD2-CG 3.97Å; I502-L506 HydrophobicContact CG2-CD1 3.75Å; I502-L506 HydrophobicContact CG2-CG 4.2Å; I502-L506 WeakPolarHBondContact O-CB 3.45Å; I502-L506 WeakPolarHBondContact O-CG 3.38Å; I502-L506 PolarHBondContact O-N 3.41Å; V503-L506 PolarHBondContact O-N 3.15Å; N504-L506 PolarHBondContact O-N 2.85Å; L506-Q509 PolarHBondContact O-N 2.85Å; L506-I510 WeakPolarHBondContact O-CB 2.97Å; L506-I510 WeakPolarHBondContact O-CD1 3.47Å; L506-I510 WeakPolarHBondContact O-CG1 3.3Å; L506-I510 PolarHBondContact O-N 3.39Å
507H93.4Very high92.2Very high100 Ų10068.9 Ų68.946%0.46337%0.371SS..Hα-helixtrans-63.6-47.5173.2-67.8147.2000111.4V503 N504 Q509 I510 E511V503-H507 WeakPolarHBondContact CG1-CE1 3.18Å; V503-H507 VanDerWaalsContact O-CG 3.27Å; V503-H507 PolarHBondContact O-N 3.07Å; V503-H507 PolarHBondContact O-ND1 2.98Å; N504-H507 PolarHBondContact O-N 2.89Å; H507-Q509 VanDerWaalsContact C-N 3.33Å; H507-Q509 PolarHBondContact O-N 3.47Å; H507-I510 WeakPolarHBondContact O-CB 3.41Å; H507-I510 PolarHBondContact O-N 2.96Å; H507-I510 VanDerWaalsContact O-N 3.08Å; H507-E511 WeakPolarHBondContact O-CG 3.34Å; H507-E511 PolarHBondContact O-N 3.13Å
508S91.8Very high92.5Very high67 Ų6769.5 Ų69.547%0.46937%0.365SS..Hα-helixtrans-63-36176.7-61.70000113.1N504 D505 S512N504-S508 PolarHBondContact O-N 2.88Å; N504-S508 PolarHBondContact O-OG 3.24Å; D505-S508 PolarHBondContact O-N 2.93Å; S508-S512 WeakPolarHBondContact O-CB 3.46Å; S508-S512 PolarHBondContact O-N 2.71Å; S508-S512 PolarHBondContact O-OG 3.23Å; S508-S512 VanDerWaalsContact O-OG 3.13Å
509Q90.2Very high92.9Very high57 Ų5772.2 Ų72.227%0.26638%0.377SS..Hα-helixtrans-64.4-41.4171.1-79-172.466.700111.9D505 L506 H507 S512 L513D505-Q509 WeakPolarHBondContact O-CB 3.23Å; D505-Q509 WeakPolarHBondContact O-CG 3.09Å; D505-Q509 PolarHBondContact O-N 3.46Å; D505-Q509 PolarHBondContact OD2-NE2 3.43Å; L506-Q509 PolarHBondContact O-N 2.85Å; H507-Q509 VanDerWaalsContact C-N 3.33Å; H507-Q509 PolarHBondContact O-N 3.47Å; Q509-S512 PolarHBondContact O-OG 2.91Å; Q509-L513 VanDerWaalsContact O-CB 3.23Å; Q509-L513 WeakPolarHBondContact O-CB 3.26Å; Q509-L513 WeakPolarHBondContact O-CD1 3.47Å; Q509-L513 WeakPolarHBondContact O-CG 3.24Å; Q509-L513 PolarHBondContact O-N 3.49Å
510I91.9Very high93.1Very high93 Ų9373.7 Ų73.748%0.47739%0.385SS..Hα-helixtrans-64.7-45.2177.3-72.4162000110.4L506 H507 N514L506-I510 WeakPolarHBondContact O-CB 2.97Å; L506-I510 WeakPolarHBondContact O-CD1 3.47Å; L506-I510 WeakPolarHBondContact O-CG1 3.3Å; L506-I510 PolarHBondContact O-N 3.39Å; H507-I510 WeakPolarHBondContact O-CB 3.41Å; H507-I510 PolarHBondContact O-N 2.96Å; H507-I510 VanDerWaalsContact O-N 3.08Å; I510-N514 WeakPolarHBondContact O-CB 3.48Å; I510-N514 PolarHBondContact O-N 3.14Å; I510-N514 PolarHBondContact O-ND2 3.48Å
511E94.6Very high93.3Very high115 Ų11570.9 Ų70.954%0.53737%0.373SS..Hα-helixtrans-58.6-54.4175.3-71.4163.8177.800110.8H507 L513 N514 E515H507-E511 WeakPolarHBondContact O-CG 3.34Å; H507-E511 PolarHBondContact O-N 3.13Å; E511-L513 PolarHBondContact O-N 2.85Å; E511-N514 PolarHBondContact O-N 3.38Å; E511-N514 VanDerWaalsContact O-N 3.15Å; E511-E515 PolarHBondContact O-N 2.89Å
512S91.7Very high93.6Very high59 Ų5973.6 Ų73.641%0.41339%0.385SS..Hα-helixtrans-63.9-36.6-179.264.40000113.5S508 Q509 N514 E515 E516S508-S512 WeakPolarHBondContact O-CB 3.46Å; S508-S512 PolarHBondContact O-N 2.71Å; S508-S512 PolarHBondContact O-OG 3.23Å; S508-S512 VanDerWaalsContact O-OG 3.13Å; Q509-S512 PolarHBondContact O-OG 2.91Å; S512-N514 VanDerWaalsContact C-N 3.35Å; S512-E515 PolarHBondContact O-N 3.45Å; S512-E516 VanDerWaalsContact O-CB 3.26Å; S512-E516 WeakPolarHBondContact O-CB 3.29Å; S512-E516 PolarHBondContact O-N 3.15Å
513L91.9Very high94Very high53 Ų5377.1 Ų77.128%0.27740%0.404SS..Hα-helixtrans-71.9-29177.1-73.5169.8000112.3Q509 E511 L517Q509-L513 VanDerWaalsContact O-CB 3.23Å; Q509-L513 WeakPolarHBondContact O-CB 3.26Å; Q509-L513 WeakPolarHBondContact O-CD1 3.47Å; Q509-L513 WeakPolarHBondContact O-CG 3.24Å; Q509-L513 PolarHBondContact O-N 3.49Å; E511-L513 PolarHBondContact O-N 2.85Å; L513-L517 WeakPolarHBondContact O-CB 3.48Å; L513-L517 PolarHBondContact O-N 3.25Å
514N95.9Very high94.2Very high90 Ų9078.3 Ų78.348%0.48140%0.401SS..Hα-helixtrans-72.6-40.3173.1-72.1-29.8000111.1I510 E511 S512 L517 V518I510-N514 WeakPolarHBondContact O-CB 3.48Å; I510-N514 PolarHBondContact O-N 3.14Å; I510-N514 PolarHBondContact O-ND2 3.48Å; E511-N514 PolarHBondContact O-N 3.38Å; E511-N514 VanDerWaalsContact O-N 3.15Å; S512-N514 VanDerWaalsContact C-N 3.35Å; N514-L517 PolarHBondContact O-N 2.92Å; N514-V518 WeakPolarHBondContact O-CG2 3.25Å; N514-V518 PolarHBondContact O-N 3.39Å
515E96.1Very high94.4Very high124 Ų12477.9 Ų77.958%0.57940%0.399SS*.Hα-helixtrans-63-47.5172.9-70.5180179.400111.7E511 S512 L517 V518 Q519E511-E515 PolarHBondContact O-N 2.89Å; S512-E515 PolarHBondContact O-N 3.45Å; E515-L517 VanDerWaalsContact C-N 3.33Å; E515-L517 PolarHBondContact O-N 2.85Å; E515-V518 PolarHBondContact O-N 2.89Å; E515-Q519 VanDerWaalsContact O-CG 3.29Å; E515-Q519 WeakPolarHBondContact O-CG 3.39Å; E515-Q519 PolarHBondContact O-N 2.86Å
516E94.3Very high94.8Very high65 Ų6583.2 Ų83.230%0.30442%0.424SS..Hα-helixtrans-56-46.3174.2-173.3-172.3138.700110.9R462 S512 Q519 L520R462-E516 IonicContact CZ-OE1 2.64Å; R462-E516 IonicContact NE-OE1 3.03Å; R462-E516 IonicContact NE-OE2 2.97Å; R462-E516 IonicContact NH2-OE1 3.66Å; R462-E516 PolarHBondContact NH2-OE1 3.49Å; S512-E516 VanDerWaalsContact O-CB 3.26Å; S512-E516 WeakPolarHBondContact O-CB 3.29Å; S512-E516 PolarHBondContact O-N 3.15Å; E516-Q519 PolarHBondContact O-N 3.39Å; E516-L520 HydrophobicContact CG-CD1 4.05Å; E516-L520 WeakPolarHBondContact O-CB 3.42Å; E516-L520 VanDerWaalsContact O-CG 3.28Å; E516-L520 WeakPolarHBondContact O-CG 3.19Å; E516-L520 PolarHBondContact O-N 3.07Å
517L96.3Very high95.1Very high85 Ų8585 Ų8545%0.44543%0.433SS..Hα-helixtrans-63-42.7177.3177.561.5000112.6L513 N514 E515 L521L513-L517 WeakPolarHBondContact O-CB 3.48Å; L513-L517 PolarHBondContact O-N 3.25Å; N514-L517 PolarHBondContact O-N 2.92Å; E515-L517 VanDerWaalsContact C-N 3.33Å; E515-L517 PolarHBondContact O-N 2.85Å; L517-L521 HydrophobicContact CD1-CD1 3.99Å; L517-L521 HydrophobicContact CD1-CG 4.1Å; L517-L521 HydrophobicContact CG-CD1 3.95Å; L517-L521 HydrophobicContact CG-CG 4.47Å; L517-L521 WeakPolarHBondContact O-CB 3.38Å; L517-L521 WeakPolarHBondContact O-CD1 3.42Å; L517-L521 WeakPolarHBondContact O-CG 3.18Å; L517-L521 PolarHBondContact O-N 2.89Å
518V98.1Very high95.2Very high59 Ų5984.6 Ų84.636%0.35843%0.431SS..Hα-helixtrans-65.8-42.4177.6169.90000111N514 E515 L521 L522N514-V518 WeakPolarHBondContact O-CG2 3.25Å; N514-V518 PolarHBondContact O-N 3.39Å; E515-V518 PolarHBondContact O-N 2.89Å; V518-L521 PolarHBondContact O-N 3.19Å; V518-L522 HydrophobicContact CG1-CD1 4.12Å; V518-L522 WeakPolarHBondContact O-CG 3.29Å; V518-L522 PolarHBondContact O-N 2.9Å
519Q97.1Very high95.5Very high116 Ų11686.1 Ų86.154%0.54244%0.437SS..Hα-helixtrans-61.6-48176.2-69.8167.932.900111.5E515 E516 L521 L522 I523E515-Q519 VanDerWaalsContact O-CG 3.29Å; E515-Q519 WeakPolarHBondContact O-CG 3.39Å; E515-Q519 PolarHBondContact O-N 2.86Å; E516-Q519 PolarHBondContact O-N 3.39Å; Q519-L521 VanDerWaalsContact C-N 3.32Å; Q519-L521 PolarHBondContact O-N 2.96Å; Q519-L522 PolarHBondContact O-N 3.24Å; Q519-I523 WeakPolarHBondContact O-CG1 3.35Å; Q519-I523 PolarHBondContact O-N 3.35Å
520L94.7Very high95.8Very high91 Ų9188.6 Ų88.648%0.47645%0.449SS..Hα-helixtrans-64.7-33.2177.6-70.3171.9000113E516 R524E516-L520 HydrophobicContact CG-CD1 4.05Å; E516-L520 WeakPolarHBondContact O-CB 3.42Å; E516-L520 VanDerWaalsContact O-CG 3.28Å; E516-L520 WeakPolarHBondContact O-CG 3.19Å; E516-L520 PolarHBondContact O-N 3.07Å; L520-R524 VanDerWaalsContact O-CB 3.29Å; L520-R524 WeakPolarHBondContact O-CB 3.46Å; L520-R524 PolarHBondContact O-N 2.84Å
521L97.2Very high96Very high39 Ų3988.8 Ų88.820%0.20445%0.448CS..Hα-helixtrans-68.7-39174-74.6169.3000112.2L517 V518 Q519 R524 D525L517-L521 HydrophobicContact CD1-CD1 3.99Å; L517-L521 HydrophobicContact CD1-CG 4.1Å; L517-L521 HydrophobicContact CG-CD1 3.95Å; L517-L521 HydrophobicContact CG-CG 4.47Å; L517-L521 WeakPolarHBondContact O-CB 3.38Å; L517-L521 WeakPolarHBondContact O-CD1 3.42Å; L517-L521 WeakPolarHBondContact O-CG 3.18Å; L517-L521 PolarHBondContact O-N 2.89Å; V518-L521 PolarHBondContact O-N 3.19Å; Q519-L521 VanDerWaalsContact C-N 3.32Å; Q519-L521 PolarHBondContact O-N 2.96Å; L521-R524 VanDerWaalsContact CD2-NH1 3.27Å; L521-D525 VanDerWaalsContact O-CG 3.25Å; L521-D525 PolarHBondContact O-N 3.38Å; L521-D525 VanDerWaalsContact O-N 3.12Å
522L97.3Very high96.1Very high103 Ų10388 Ų8854%0.53945%0.448SS..Hα-helixtrans-66.3-48.6175.2-70.9168.8000111.3V518 Q519 R524 D525 E526V518-L522 HydrophobicContact CG1-CD1 4.12Å; V518-L522 WeakPolarHBondContact O-CG 3.29Å; V518-L522 PolarHBondContact O-N 2.9Å; Q519-L522 PolarHBondContact O-N 3.24Å; L522-R524 VanDerWaalsContact C-N 3.29Å; L522-R524 PolarHBondContact O-N 3.31Å; L522-D525 PolarHBondContact O-N 2.85Å; L522-E526 PolarHBondContact O-N 2.78Å
523I97.2Very high96.4Very high82 Ų8287.7 Ų87.742%0.42145%0.449SS..Hα-helixtrans-59.5-40.2177.2-67.1163.5000110.9Q519 D525 E526 L527Q519-I523 WeakPolarHBondContact O-CG1 3.35Å; Q519-I523 PolarHBondContact O-N 3.35Å; I523-D525 PolarHBondContact O-N 3.37Å; I523-E526 PolarHBondContact O-N 2.86Å; I523-L527 HydrophobicContact CG2-CD1 3.86Å; I523-L527 HydrophobicContact CG2-CG 4.33Å; I523-L527 WeakPolarHBondContact O-CB 3.47Å; I523-L527 VanDerWaalsContact O-CG 3.26Å; I523-L527 WeakPolarHBondContact O-CG 3.3Å; I523-L527 PolarHBondContact O-N 3.39Å
524R96.5Very high96.5Very high83 Ų8389.9 Ų89.931%0.31346%0.458SS..Hα-helixtrans-61-42.8174-177.9-149.661.5-161.5-7.9112L520 L521 L522 L527 H528L520-R524 VanDerWaalsContact O-CB 3.29Å; L520-R524 WeakPolarHBondContact O-CB 3.46Å; L520-R524 PolarHBondContact O-N 2.84Å; L521-R524 VanDerWaalsContact CD2-NH1 3.27Å; L522-R524 VanDerWaalsContact C-N 3.29Å; L522-R524 PolarHBondContact O-N 3.31Å; R524-L527 PolarHBondContact O-N 3.05Å; R524-H528 WeakPolarHBondContact O-CB 3.3Å; R524-H528 PolarHBondContact O-CD2 3.28Å; R524-H528 VanDerWaalsContact O-CD2 3.22Å; R524-H528 PolarHBondContact O-N 2.92Å
525D97.4Very high96.5Very high74 Ų7490.2 Ų90.240%0.39646%0.46SS..Hα-helixtrans-74.1-29.7-177.9-66.9-18.3000111.9L521 L522 I523 T529L521-D525 VanDerWaalsContact O-CG 3.25Å; L521-D525 PolarHBondContact O-N 3.38Å; L521-D525 VanDerWaalsContact O-N 3.12Å; L522-D525 PolarHBondContact O-N 2.85Å; I523-D525 PolarHBondContact O-N 3.37Å; D525-T529 PolarHBondContact O-N 3.46Å; D525-T529 VanDerWaalsContact O-N 3.1Å; D525-T529 PolarHBondContact O-OG1 3.29Å
526E97.3Very high96.5Very high133 Ų13386.6 Ų86.662%0.62145%0.446SS*.Hα-helixtrans-65.4-51.3167.9-174.2167.9-150.300111.5L522 I523 H528 T529 E530L522-E526 PolarHBondContact O-N 2.78Å; I523-E526 PolarHBondContact O-N 2.86Å; E526-H528 VanDerWaalsContact C-N 3.32Å; E526-H528 PolarHBondContact O-N 3.37Å; E526-T529 CarbonylContact O-C 3.59Å; E526-T529 WeakPolarHBondContact O-CA 3.36Å; E526-T529 WeakPolarHBondContact O-CB 3.5Å; E526-T529 PolarHBondContact O-N 3.4Å; E526-E530 PolarHBondContact O-N 3.46Å
527L96.2Very high96.6Very high97 Ų9788.2 Ų88.251%0.50846%0.457SS..Hα-helixtrans-62.1-33.7176.5-71.5170.1000113.2I523 R524 T529 Q531I523-L527 HydrophobicContact CG2-CD1 3.86Å; I523-L527 HydrophobicContact CG2-CG 4.33Å; I523-L527 WeakPolarHBondContact O-CB 3.47Å; I523-L527 VanDerWaalsContact O-CG 3.26Å; I523-L527 WeakPolarHBondContact O-CG 3.3Å; I523-L527 PolarHBondContact O-N 3.39Å; R524-L527 PolarHBondContact O-N 3.05Å; L527-T529 VanDerWaalsContact C-N 3.35Å; L527-Q531 VanDerWaalsContact O-CB 3.27Å; L527-Q531 WeakPolarHBondContact O-CB 3.43Å; L527-Q531 PolarHBondContact O-N 3.49Å
528H96.1Very high96.3Very high91 Ų9188.8 Ų88.842%0.42146%0.459SS..Hα-helixtrans-68.3-34.7170.8-79.6-48000112.2R524 E526 Q531 D532R524-H528 WeakPolarHBondContact O-CB 3.3Å; R524-H528 PolarHBondContact O-CD2 3.28Å; R524-H528 VanDerWaalsContact O-CD2 3.22Å; R524-H528 PolarHBondContact O-N 2.92Å; E526-H528 VanDerWaalsContact C-N 3.32Å; E526-H528 PolarHBondContact O-N 3.37Å; H528-Q531 PolarHBondContact ND1-OE1 3.14Å; H528-Q531 PolarHBondContact O-N 2.69Å; H528-D532 WeakPolarHBondContact O-CB 3.39Å; H528-D532 PolarHBondContact O-N 3.44Å
529T97.3Very high96.2Very high99 Ų9990.9 Ų90.961%0.60747%0.465SS*.Hα-helixtrans-69.7-39.1175.7-54.60000111.1D525 E526 L527 D532 A533D525-T529 PolarHBondContact O-N 3.46Å; D525-T529 VanDerWaalsContact O-N 3.1Å; D525-T529 PolarHBondContact O-OG1 3.29Å; E526-T529 CarbonylContact O-C 3.59Å; E526-T529 WeakPolarHBondContact O-CA 3.36Å; E526-T529 WeakPolarHBondContact O-CB 3.5Å; E526-T529 PolarHBondContact O-N 3.4Å; L527-T529 VanDerWaalsContact C-N 3.35Å; T529-D532 PolarHBondContact O-N 2.97Å; T529-A533 WeakPolarHBondContact O-CB 3.27Å; T529-A533 PolarHBondContact O-N 3.42Å
530E96.7Very high96.1Very high109 Ų10989.2 Ų89.251%0.50946%0.46SS..Hα-helixtrans-64.5-42.5172.6-167.8-176.3-177.100111.6E526 A533 M534E526-E530 PolarHBondContact O-N 3.46Å; E530-A533 PolarHBondContact O-N 2.84Å; E530-M534 HydrophobicContact CG-CE 4.23Å; E530-M534 WeakPolarHBondContact O-CG 3.49Å; E530-M534 PolarHBondContact O-N 3.47Å
531Q95.6Very high96.1Very high97 Ų9790.5 Ų90.545%0.45347%0.467SS..Hα-helixtrans-61.1-46.7173.5176.7171.651.200112.4L527 H528 A533 M534 L535L527-Q531 VanDerWaalsContact O-CB 3.27Å; L527-Q531 WeakPolarHBondContact O-CB 3.43Å; L527-Q531 PolarHBondContact O-N 3.49Å; H528-Q531 PolarHBondContact ND1-OE1 3.14Å; H528-Q531 PolarHBondContact O-N 2.69Å; Q531-A533 VanDerWaalsContact C-N 3.28Å; Q531-A533 PolarHBondContact O-N 3.49Å; Q531-M534 PolarHBondContact O-N 2.82Å; Q531-L535 HydrophobicContact CG-CD1 4.1Å; Q531-L535 WeakPolarHBondContact O-CB 3.27Å; Q531-L535 VanDerWaalsContact O-CG 3.29Å; Q531-L535 WeakPolarHBondContact O-CG 3.11Å; Q531-L535 PolarHBondContact O-N 2.62Å
532D97Very high95.8Very high100 Ų10092.1 Ų92.154%0.53548%0.478SS..Hα-helixtrans-62.6-34.7176.4-95.16.2000111.9H528 T529 V536H528-D532 WeakPolarHBondContact O-CB 3.39Å; H528-D532 PolarHBondContact O-N 3.44Å; T529-D532 PolarHBondContact O-N 2.97Å; D532-V536 WeakPolarHBondContact O-CG2 3.39Å; D532-V536 PolarHBondContact O-N 2.95Å
533A97.3Very high95.6Very high52 Ų5293.2 Ų93.243%0.4348%0.475SS..Hα-helixtrans-66.8-51.7173.800000111.7T529 E530 Q531 L535 V536 D537T529-A533 WeakPolarHBondContact O-CB 3.27Å; T529-A533 PolarHBondContact O-N 3.42Å; E530-A533 PolarHBondContact O-N 2.84Å; Q531-A533 VanDerWaalsContact C-N 3.28Å; Q531-A533 PolarHBondContact O-N 3.49Å; A533-L535 PolarHBondContact O-N 3.48Å; A533-V536 WeakPolarHBondContact O-CB 3.38Å; A533-V536 PolarHBondContact O-N 2.93Å; A533-D537 PolarHBondContact O-N 3.23Å
534M95.9Very high95.4Very high98 Ų9894.2 Ų94.248%0.48348%0.478SS..Hα-helixtrans-58.4-35.6176.9-72.7-172.6-71.500112.7E530 Q531 D537 I538E530-M534 HydrophobicContact CG-CE 4.23Å; E530-M534 WeakPolarHBondContact O-CG 3.49Å; E530-M534 PolarHBondContact O-N 3.47Å; Q531-M534 PolarHBondContact O-N 2.82Å; M534-D537 PolarHBondContact O-N 3.43Å; M534-I538 WeakPolarHBondContact O-CB 3.42Å; M534-I538 WeakPolarHBondContact O-CD1 3.15Å; M534-I538 WeakPolarHBondContact O-CG1 3.44Å; M534-I538 PolarHBondContact O-N 2.87Å
535L94Very high95.1Very high97 Ų9793 Ų9351%0.50849%0.485SS..Hα-helixtrans-67.9-34.8175.7-73.6172000112.6Q531 A533 E539Q531-L535 HydrophobicContact CG-CD1 4.1Å; Q531-L535 WeakPolarHBondContact O-CB 3.27Å; Q531-L535 VanDerWaalsContact O-CG 3.29Å; Q531-L535 WeakPolarHBondContact O-CG 3.11Å; Q531-L535 PolarHBondContact O-N 2.62Å; A533-L535 PolarHBondContact O-N 3.48Å; L535-E539 PolarHBondContact O-N 3.1Å
536V96.7Very high94.8Very high48 Ų4893.7 Ų93.729%0.29149%0.487SS..Hα-helixtrans-68.9-43.8172.3169.80000111D532 A533 I538 E539 D540D532-V536 WeakPolarHBondContact O-CG2 3.39Å; D532-V536 PolarHBondContact O-N 2.95Å; A533-V536 WeakPolarHBondContact O-CB 3.38Å; A533-V536 PolarHBondContact O-N 2.93Å; V536-I538 VanDerWaalsContact C-N 3.3Å; V536-I538 PolarHBondContact O-N 2.99Å; V536-E539 PolarHBondContact O-N 2.97Å; V536-E539 VanDerWaalsContact O-N 3.12Å; V536-D540 PolarHBondContact O-N 3.4Å
537D96.3Very high94.5Very high99 Ų9990.3 Ų90.353%0.52948%0.477SS..Hα-helixtrans-59.7-41.2175.9-69.1-31.3000111.3A533 M534 L541A533-D537 PolarHBondContact O-N 3.23Å; M534-D537 PolarHBondContact O-N 3.43Å; D537-L541 VanDerWaalsContact O-CB 3.23Å; D537-L541 WeakPolarHBondContact O-CB 3.3Å; D537-L541 WeakPolarHBondContact O-CG 3.38Å; D537-L541 PolarHBondContact O-N 2.9Å
538I91.5Very high94.2Very high98 Ų9889.9 Ų89.950%0.50347%0.473SS..Hα-helixtrans-64.4-42.2173.8-70163.8000111.4M534 V536 T542M534-I538 WeakPolarHBondContact O-CB 3.42Å; M534-I538 WeakPolarHBondContact O-CD1 3.15Å; M534-I538 WeakPolarHBondContact O-CG1 3.44Å; M534-I538 PolarHBondContact O-N 2.87Å; V536-I538 VanDerWaalsContact C-N 3.3Å; V536-I538 PolarHBondContact O-N 2.99Å; I538-T542 VanDerWaalsContact O-CB 3.26Å; I538-T542 WeakPolarHBondContact O-CB 3.31Å; I538-T542 PolarHBondContact O-N 3.22Å; I538-T542 PolarHBondContact O-OG1 2.92Å
539E94Very high93.8Very high103 Ų10392.4 Ų92.448%0.48149%0.485SS..Hα-helixtrans-62.1-47.1177.7-161.9-168.8148.700111.1L535 V536 T542 R543L535-E539 PolarHBondContact O-N 3.1Å; V536-E539 PolarHBondContact O-N 2.97Å; V536-E539 VanDerWaalsContact O-N 3.12Å; E539-T542 PolarHBondContact O-N 3.16Å; E539-R543 VanDerWaalsContact O-CB 3.29Å; E539-R543 WeakPolarHBondContact O-CB 3.46Å; E539-R543 PolarHBondContact O-N 2.95Å; E539-R543 IonicContact OE1-CZ 3.37Å; E539-R543 IonicContact OE1-NH1 3.15Å; E539-R543 PolarHBondContact OE1-NH1 2.94Å; E539-R543 VanDerWaalsContact OE1-NH1 3.15Å; E539-R543 IonicContact OE1-NH2 2.7Å; E539-R543 PolarHBondContact OE1-NH2 3.16Å
540D95.8Very high93.3Very high81 Ų8193.3 Ų93.343%0.43348%0.48SS..Hα-helixtrans-75.2-34.4-177.6-80-18000113.2V536 T542 R543 H544V536-D540 PolarHBondContact O-N 3.4Å; D540-T542 VanDerWaalsContact C-N 3.35Å; D540-R543 PolarHBondContact O-N 3.04Å; D540-R543 IonicContact OD1-CZ 2.98Å; D540-R543 IonicContact OD1-NE 2.88Å; D540-R543 PolarHBondContact OD1-NE 2.94Å; D540-R543 IonicContact OD1-NH2 2.71Å; D540-R543 PolarHBondContact OD1-NH2 3.46Å; D540-H544 WeakPolarHBondContact O-CB 3.37Å; D540-H544 PolarHBondContact O-N 3.28Å
541L94Very high92.8Very high118 Ų11892.7 Ų92.762%0.61848%0.477SS*.Hα-helixtrans-62.5-41.7169-75.3171.2000111.6D537 H544 A545D537-L541 VanDerWaalsContact O-CB 3.23Å; D537-L541 WeakPolarHBondContact O-CB 3.3Å; D537-L541 WeakPolarHBondContact O-CG 3.38Å; D537-L541 PolarHBondContact O-N 2.9Å; L541-H544 PolarHBondContact O-N 3.32Å; L541-A545 WeakPolarHBondContact O-CB 3.42Å; L541-A545 PolarHBondContact O-N 2.96Å
542T90.8Very high92.1Very high72 Ų7293.9 Ų93.944%0.44248%0.484SS..Hα-helixtrans-65.9-47.2176.9-57.10000110.9I538 E539 D540 H544 A545 E546I538-T542 VanDerWaalsContact O-CB 3.26Å; I538-T542 WeakPolarHBondContact O-CB 3.31Å; I538-T542 PolarHBondContact O-N 3.22Å; I538-T542 PolarHBondContact O-OG1 2.92Å; E539-T542 PolarHBondContact O-N 3.16Å; D540-T542 VanDerWaalsContact C-N 3.35Å; T542-H544 VanDerWaalsContact C-N 3.31Å; T542-H544 PolarHBondContact O-N 2.8Å; T542-A545 PolarHBondContact O-N 3.04Å; T542-E546 PolarHBondContact O-N 3.43Å
543R93.4Very high91.4Very high126 Ų12691.8 Ų91.848%0.47548%0.481SS..Hα-helixtrans-58.8-41.5175.9-164.6-164.5-40.7-70.95.7111.9E539 D540 S547E539-R543 VanDerWaalsContact O-CB 3.29Å; E539-R543 WeakPolarHBondContact O-CB 3.46Å; E539-R543 PolarHBondContact O-N 2.95Å; E539-R543 IonicContact OE1-CZ 3.37Å; E539-R543 IonicContact OE1-NH1 3.15Å; E539-R543 PolarHBondContact OE1-NH1 2.94Å; E539-R543 VanDerWaalsContact OE1-NH1 3.15Å; E539-R543 IonicContact OE1-NH2 2.7Å; E539-R543 PolarHBondContact OE1-NH2 3.16Å; D540-R543 PolarHBondContact O-N 3.04Å; D540-R543 IonicContact OD1-CZ 2.98Å; D540-R543 IonicContact OD1-NE 2.88Å; D540-R543 PolarHBondContact OD1-NE 2.94Å; D540-R543 IonicContact OD1-NH2 2.71Å; D540-R543 PolarHBondContact OD1-NH2 3.46Å; R543-S547 WeakPolarHBondContact O-CB 3.34Å; R543-S547 PolarHBondContact O-N 3.13Å
544H93.6Very high90.5Very high103 Ų10397 Ų9748%0.47750%0.496SS..Hα-helixtrans-65-47.4176177.3-135.7000111.5D540 L541 T542 E546 S547 Q548D540-H544 WeakPolarHBondContact O-CB 3.37Å; D540-H544 PolarHBondContact O-N 3.28Å; L541-H544 PolarHBondContact O-N 3.32Å; T542-H544 VanDerWaalsContact C-N 3.31Å; T542-H544 PolarHBondContact O-N 2.8Å; H544-E546 PolarHBondContact O-N 3.32Å; H544-S547 PolarHBondContact O-N 3.43Å; H544-S547 VanDerWaalsContact O-N 3.14Å; H544-S547 PolarHBondContact O-OG 2.99Å; H544-Q548 PolarHBondContact CE1-NE2 3.33Å; H544-Q548 PolarHBondContact NE2-NE2 3.37Å; H544-Q548 PolarHBondContact O-N 3.21Å
545A90.1Very high89.4Confident57 Ų5799.2 Ų99.247%0.47150%0.503SS..Hα-helixtrans-60-45.5176.400000112.3L541 T542 S547 Q548 Q549L541-A545 WeakPolarHBondContact O-CB 3.42Å; L541-A545 PolarHBondContact O-N 2.96Å; T542-A545 PolarHBondContact O-N 3.04Å; A545-S547 VanDerWaalsContact C-N 3.33Å; A545-S547 PolarHBondContact O-N 2.93Å; A545-Q548 PolarHBondContact O-N 3.24Å; A545-Q549 PolarHBondContact O-N 3.31Å
546E90.9Very high87.8Confident90 Ų90101.3 Ų101.342%0.42151%0.512SS..Hα-helixtrans-57.2-44.3171.9-81.2-169.9-146.100112.5T542 H544 Q548 Q549 K550T542-E546 PolarHBondContact O-N 3.43Å; H544-E546 PolarHBondContact O-N 3.32Å; E546-Q548 VanDerWaalsContact C-N 3.32Å; E546-Q548 PolarHBondContact O-N 3.36Å; E546-Q549 PolarHBondContact O-N 2.91Å; E546-K550 WeakPolarHBondContact O-CB 3.38Å; E546-K550 WeakPolarHBondContact O-CD 3.32Å; E546-K550 VanDerWaalsContact O-CG 3.3Å; E546-K550 WeakPolarHBondContact O-CG 3.41Å; E546-K550 PolarHBondContact O-N 2.73Å; E546-K550 IonicContact OE2-NZ 2.62Å; E546-K550 PolarHBondContact OE2-NZ 3.04Å
547S92Very high85.7Confident61 Ų61104.1 Ų104.143%0.42753%0.531SS..Hα-helixtrans-63.4-39.2-179.778.70000111.6R543 H544 A545 H551R543-S547 WeakPolarHBondContact O-CB 3.34Å; R543-S547 PolarHBondContact O-N 3.13Å; H544-S547 PolarHBondContact O-N 3.43Å; H544-S547 VanDerWaalsContact O-N 3.14Å; H544-S547 PolarHBondContact O-OG 2.99Å; A545-S547 VanDerWaalsContact C-N 3.33Å; A545-S547 PolarHBondContact O-N 2.93Å; S547-H551 WeakPolarHBondContact O-CB 3.35Å; S547-H551 PolarHBondContact O-N 3.35Å
548Q89.2Confident83.7Confident89 Ų89104.7 Ų104.742%0.41655%0.549SS..Hα-helixtrans-65.6-44.8173-67.5-162.519.400111.3H544 A545 E546 K550 H551 M552H544-Q548 PolarHBondContact CE1-NE2 3.33Å; H544-Q548 PolarHBondContact NE2-NE2 3.37Å; H544-Q548 PolarHBondContact O-N 3.21Å; A545-Q548 PolarHBondContact O-N 3.24Å; E546-Q548 VanDerWaalsContact C-N 3.32Å; E546-Q548 PolarHBondContact O-N 3.36Å; Q548-K550 PolarHBondContact O-N 3.38Å; Q548-H551 PolarHBondContact O-N 3.12Å; Q548-M552 WeakPolarHBondContact O-CB 3.45Å; Q548-M552 VanDerWaalsContact O-CG 3.31Å; Q548-M552 WeakPolarHBondContact O-CG 3.44Å; Q548-M552 PolarHBondContact O-N 2.91Å
549Q87Confident81.4Confident143 Ų143113.1 Ų113.167%0.66858%0.583SS**Hα-helixtrans-62-42.8178.7-171.4177.60.100112.1A545 E546 M552 A553A545-Q549 PolarHBondContact O-N 3.31Å; E546-Q549 PolarHBondContact O-N 2.91Å; Q549-M552 PolarHBondContact O-N 2.75Å; Q549-A553 WeakPolarHBondContact O-CB 3.45Å; Q549-A553 PolarHBondContact O-N 3.3Å
550K88.3Confident80.7Confident119 Ų119113.7 Ų113.752%0.51759%0.588SS.*Hα-helixtrans-61.2-49.8174.6-72.8160.8179.7164.70111E546 Q548 M552 A553 E554E546-K550 WeakPolarHBondContact O-CB 3.38Å; E546-K550 WeakPolarHBondContact O-CD 3.32Å; E546-K550 VanDerWaalsContact O-CG 3.3Å; E546-K550 WeakPolarHBondContact O-CG 3.41Å; E546-K550 PolarHBondContact O-N 2.73Å; E546-K550 IonicContact OE2-NZ 2.62Å; E546-K550 PolarHBondContact OE2-NZ 3.04Å; Q548-K550 PolarHBondContact O-N 3.38Å; K550-M552 VanDerWaalsContact C-N 3.32Å; K550-M552 PolarHBondContact O-N 3.33Å; K550-A553 PolarHBondContact O-N 3.31Å; K550-A553 VanDerWaalsContact O-N 3.13Å; K550-E554 WeakPolarHBondContact O-CG 3.2Å; K550-E554 PolarHBondContact O-N 3.29Å
551H86Confident79.9Confident96 Ų96115.4 Ų115.444%0.44460%0.596SS.*Hα-helixtrans-65.1-28.4177.5173.1-129.1000114S547 Q548 K555S547-H551 WeakPolarHBondContact O-CB 3.35Å; S547-H551 PolarHBondContact O-N 3.35Å; Q548-H551 PolarHBondContact O-N 3.12Å; H551-K555 PolarHBondContact CE1-NZ 2.9Å; H551-K555 VanDerWaalsContact CE1-NZ 3.32Å; H551-K555 VanDerWaalsContact NE2-CE 3.32Å; H551-K555 WeakPolarHBondContact NE2-CE 3.46Å; H551-K555 PolarHBondContact NE2-NZ 3.33Å; H551-K555 WeakPolarHBondContact O-CB 3.45Å; H551-K555 WeakPolarHBondContact O-CG 3.42Å; H551-K555 PolarHBondContact O-N 2.87Å
552M80.5Confident79.2Confident121 Ų121115.2 Ų115.260%0.59660%0.595SS**Hα-helixtrans-73.9-41.3169.8-73.9-175.2-171.700111.8Q548 Q549 K550 K555 M556Q548-M552 WeakPolarHBondContact O-CB 3.45Å; Q548-M552 VanDerWaalsContact O-CG 3.31Å; Q548-M552 WeakPolarHBondContact O-CG 3.44Å; Q548-M552 PolarHBondContact O-N 2.91Å; Q549-M552 PolarHBondContact O-N 2.75Å; K550-M552 VanDerWaalsContact C-N 3.32Å; K550-M552 PolarHBondContact O-N 3.33Å; M552-K555 PolarHBondContact O-N 3.13Å; M552-M556 PolarHBondContact O-N 3.25Å
553A82.5Confident78.5Confident56 Ų56117.8 Ų117.846%0.46360%0.604SS.*Hα-helixtrans-63.9-45.2177.300000112Q549 K550 K555 M556Q549-A553 WeakPolarHBondContact O-CB 3.45Å; Q549-A553 PolarHBondContact O-N 3.3Å; K550-A553 PolarHBondContact O-N 3.31Å; K550-A553 VanDerWaalsContact O-N 3.13Å; A553-K555 PolarHBondContact O-N 3.24Å; A553-M556 PolarHBondContact O-N 3.17Å; A553-M556 VanDerWaalsContact O-N 3.13Å
554E78.4Confident77.5Confident162 Ų162117.3 Ų117.376%0.75761%0.612SS**Hα-helixtrans-60.6-27.5174.3-72.6176.2176.600113.3K550K550-E554 WeakPolarHBondContact O-CG 3.2Å; K550-E554 PolarHBondContact O-N 3.29Å
555K73.5Confident76.5Confident145 Ų145118.2 Ų118.263%0.6362%0.621SS**Hα-helixtrans-87.2-9.2178-79.6178.2169.2174.10114.3H551 M552 A553 P557H551-K555 PolarHBondContact CE1-NZ 2.9Å; H551-K555 VanDerWaalsContact CE1-NZ 3.32Å; H551-K555 VanDerWaalsContact NE2-CE 3.32Å; H551-K555 WeakPolarHBondContact NE2-CE 3.46Å; H551-K555 PolarHBondContact NE2-NZ 3.33Å; H551-K555 WeakPolarHBondContact O-CB 3.45Å; H551-K555 WeakPolarHBondContact O-CG 3.42Å; H551-K555 PolarHBondContact O-N 2.87Å; M552-K555 PolarHBondContact O-N 3.13Å; A553-K555 PolarHBondContact O-N 3.24Å; K555-P557 WeakPolarHBondContact O-CD 3.36Å
556M60Low75.5Confident140 Ų140122.6 Ų122.669%0.6963%0.631SS**SBendtrans-81.7114.7168-70.7-158.5-6900109.2M552 A553 A558M552-M556 PolarHBondContact O-N 3.25Å; A553-M556 PolarHBondContact O-N 3.17Å; A553-M556 VanDerWaalsContact O-N 3.13Å; M556-A558 PolarHBondContact O-N 3.29Å
557P52.7Low74.3Confident108 Ų108125.1 Ų125.170%0.70165%0.648SS**  trans-64.9129.7175.927.5-33.6000109.5K555 K559K555-P557 WeakPolarHBondContact O-CD 3.36Å; P557-K559 PolarHBondContact O-N 2.86Å
558A54.6Low72.9Confident110 Ų110130.4 Ų130.491%0.90967%0.666SS**  trans-55.5128.1166.300000109.1M556M556-A558 PolarHBondContact O-N 3.29Å
559K41.5Very low71.4Confident276 Ų276134.2 Ų134.2100%1.269%0.689SS**  trans-98.90-177.3-80.7-178173.5174.90111.8P557P557-K559 PolarHBondContact O-N 2.86Å

Retrieved 559 of 559 residues in 497.7 ms (Link to these results)