A0A096NWY7_PAPAN Loading...

ATPase H+ transporting V0 subunit e2

AlphaFold DB , UniProt , Accession A0A096NWY7, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 212 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
1V43Very low50.1Low198 Ų198128.4 Ų128.4100%1.266%0.658SS**  0103.90177.30000108.5M3V1-M3 PolarHBondContact O-N 2.78Å
2R44Very low50.8Low239 Ų239122.1 Ų122.190%0.90263%0.634SS**  trans-63.8124.8-169.9-158.9166.5-168.11712.1109.9R4R2-R4 VanDerWaalsContact C-N 3.33Å; R2-R4 WeakPolarHBondContact O-CB 3.46Å; R2-R4 PolarHBondContact O-N 3.41Å
3M45.8Very low51.7Low187 Ų187115.7 Ų115.792%0.92162%0.616SS**  trans-50.192.5178.1-73.9-82.5-103.900110.5V1 G5V1-M3 PolarHBondContact O-N 2.78Å; M3-G5 PolarHBondContact O-N 2.93Å
4R49.2Very low52.5Low204 Ų204111.6 Ų111.677%0.7761%0.606SS**  trans-88.173.1-175-128.8-164.2-177165.11.1104.5R2 R8R2-R4 VanDerWaalsContact C-N 3.33Å; R2-R4 WeakPolarHBondContact O-CB 3.46Å; R2-R4 PolarHBondContact O-N 3.41Å; R4-R8 VanDerWaalsContact CB-NH1 3.3Å; R4-R8 PolarHBondContact O-NH1 3.39Å; R4-R8 VanDerWaalsContact O-NH1 3.08Å; R4-R8 PolarHBondContact O-NH2 3.05Å
5G47.8Very low53.4Low31 Ų31114.2 Ų114.232%0.3260%0.604SS.*  trans32125.4156.300000122.2M3 A7 R8M3-G5 PolarHBondContact O-N 2.93Å; G5-A7 PolarHBondContact O-N 2.72Å; G5-R8 PolarHBondContact O-N 2.8Å; G5-R8 VanDerWaalsContact O-N 3.08Å
6P51.8Low54.1Low89 Ų89114.4 Ų114.458%0.57861%0.605SS**THydrogen-bonded Turntrans-54.9-17.2160.423-33.6000113.7R8 L9 I10P6-R8 PolarHBondContact O-N 3.08Å; P6-L9 WeakPolarHBondContact O-CB 3.5Å; P6-L9 PolarHBondContact O-N 3.08Å; P6-I10 WeakPolarHBondContact O-CG1 3.39Å; P6-I10 PolarHBondContact O-N 2.67Å
7A50.4Low54.6Low68 Ų68112.5 Ų112.556%0.56259%0.594SS**Hα-helixtrans-52.8-32.5170.200000113.6G5 A11G5-A7 PolarHBondContact O-N 2.72Å; A7-A11 WeakPolarHBondContact O-CB 3.44Å; A7-A11 PolarHBondContact O-N 2.77Å
8R52.4Low55.3Low128 Ų128112.6 Ų112.648%0.48359%0.594SS.*Hα-helixtrans-74.2-31.8177.5-74-159.5-54.4-61-13.8112.9R4 G5 P6 S12R4-R8 VanDerWaalsContact CB-NH1 3.3Å; R4-R8 PolarHBondContact O-NH1 3.39Å; R4-R8 VanDerWaalsContact O-NH1 3.08Å; R4-R8 PolarHBondContact O-NH2 3.05Å; G5-R8 PolarHBondContact O-N 2.8Å; G5-R8 VanDerWaalsContact O-N 3.08Å; P6-R8 PolarHBondContact O-N 3.08Å; R8-S12 WeakPolarHBondContact O-CB 3.29Å; R8-S12 PolarHBondContact O-N 3.18Å; R8-S12 PolarHBondContact O-OG 2.97Å
9L53.4Low55.8Low131 Ų131116.9 Ų116.969%0.68660%0.602SS**Hα-helixtrans-69.3-43.7177.5-151.387.1000110.9P6 S12 G13P6-L9 WeakPolarHBondContact O-CB 3.5Å; P6-L9 PolarHBondContact O-N 3.08Å; L9-S12 VanDerWaalsContact CA-OG 3.27Å; L9-S12 WeakPolarHBondContact CA-OG 3.48Å; L9-S12 PolarHBondContact O-N 3.34Å; L9-S12 PolarHBondContact O-OG 2.92Å; L9-G13 PolarHBondContact O-N 3.1Å
10I58.3Low55.9Low102 Ų102117.8 Ų117.852%0.52361%0.605SS.*Hα-helixtrans-65.2-44176-59.2166.1000110P6 S12 G13 A14P6-I10 WeakPolarHBondContact O-CG1 3.39Å; P6-I10 PolarHBondContact O-N 2.67Å; I10-S12 VanDerWaalsContact C-N 3.35Å; I10-S12 PolarHBondContact O-N 3.46Å; I10-G13 PolarHBondContact O-N 3.09Å; I10-A14 WeakPolarHBondContact O-CB 3.42Å; I10-A14 PolarHBondContact O-N 3.29Å
11A55.3Low56.1Low35 Ų35117.3 Ų117.329%0.28960%0.603SS.*Hα-helixtrans-65-35.9176.600000112.6A7 R15A7-A11 WeakPolarHBondContact O-CB 3.44Å; A7-A11 PolarHBondContact O-N 2.77Å; A11-R15 WeakPolarHBondContact O-CB 3.4Å; A11-R15 VanDerWaalsContact O-CG 3.31Å; A11-R15 WeakPolarHBondContact O-CG 3.37Å; A11-R15 PolarHBondContact O-N 3.18Å; A11-R15 VanDerWaalsContact O-N 3.1Å; A11-R15 PolarHBondContact O-NE 3.04Å
12S57.5Low56.8Low53 Ų53112.3 Ų112.337%0.37158%0.577SS.*Hα-helixtrans-70.4-38.6172.740.50000112.6R8 L9 I10 R15 L16R8-S12 WeakPolarHBondContact O-CB 3.29Å; R8-S12 PolarHBondContact O-N 3.18Å; R8-S12 PolarHBondContact O-OG 2.97Å; L9-S12 VanDerWaalsContact CA-OG 3.27Å; L9-S12 WeakPolarHBondContact CA-OG 3.48Å; L9-S12 PolarHBondContact O-N 3.34Å; L9-S12 PolarHBondContact O-OG 2.92Å; I10-S12 VanDerWaalsContact C-N 3.35Å; I10-S12 PolarHBondContact O-N 3.46Å; S12-R15 PolarHBondContact O-N 2.85Å; S12-L16 WeakPolarHBondContact O-CB 3.11Å; S12-L16 PolarHBondContact O-N 3.27Å
13G62.5Low57.1Low39 Ų39104.6 Ų104.640%0.40256%0.564SS.*Hα-helixtrans-64-43.817500000112.2L9 I10 R15 L16 L17L9-G13 PolarHBondContact O-N 3.1Å; I10-G13 PolarHBondContact O-N 3.09Å; G13-R15 PolarHBondContact O-N 3.32Å; G13-L16 PolarHBondContact O-N 2.95Å; G13-L17 WeakPolarHBondContact O-CB 3.35Å; G13-L17 PolarHBondContact O-N 3.47Å
14A64Low57.1Low58 Ų58100.2 Ų100.248%0.47954%0.544SS..Hα-helixtrans-63.6-39.7175.600000112.3I10 L17 L18I10-A14 WeakPolarHBondContact O-CB 3.42Å; I10-A14 PolarHBondContact O-N 3.29Å; A14-L17 PolarHBondContact O-N 2.98Å; A14-L18 VanDerWaalsContact O-CB 3.31Å; A14-L18 WeakPolarHBondContact O-CB 3.49Å; A14-L18 PolarHBondContact O-N 2.79Å
15R65Low57.1Low151 Ų15196 Ų9657%0.5754%0.543SS*.Hα-helixtrans-67.8-37.2174.8-76.2-172.9-64.7-95.6-0.1112.7A11 S12 G13 R19A11-R15 WeakPolarHBondContact O-CB 3.4Å; A11-R15 VanDerWaalsContact O-CG 3.31Å; A11-R15 WeakPolarHBondContact O-CG 3.37Å; A11-R15 PolarHBondContact O-N 3.18Å; A11-R15 VanDerWaalsContact O-N 3.1Å; A11-R15 PolarHBondContact O-NE 3.04Å; S12-R15 PolarHBondContact O-N 2.85Å; G13-R15 PolarHBondContact O-N 3.32Å; R15-R19 WeakPolarHBondContact O-CG 3.12Å; R15-R19 PolarHBondContact O-N 3.27Å
16L65.1Low56.9Low118 Ų118100.5 Ų100.562%0.61857%0.568SS**Hα-helixtrans-68.7-42.9176-166.572.8000110.8S12 G13 L18 R19 M20S12-L16 WeakPolarHBondContact O-CB 3.11Å; S12-L16 PolarHBondContact O-N 3.27Å; G13-L16 PolarHBondContact O-N 2.95Å; L16-L18 PolarHBondContact O-N 3.44Å; L16-R19 PolarHBondContact O-N 2.84Å; L16-M20 VanDerWaalsContact O-CG 3.26Å; L16-M20 WeakPolarHBondContact O-CG 3.27Å; L16-M20 PolarHBondContact O-N 3.34Å
17L61.9Low56.6Low81 Ų81108 Ų10842%0.42459%0.585SS.*Hα-helixtrans-61.6-43.2174.9-169.379000111.3G13 A14 R19 M20 L21 T63G13-L17 WeakPolarHBondContact O-CB 3.35Å; G13-L17 PolarHBondContact O-N 3.47Å; A14-L17 PolarHBondContact O-N 2.98Å; L17-R19 PolarHBondContact O-N 3.26Å; L17-M20 PolarHBondContact O-N 3.02Å; L17-L21 HydrophobicContact CD1-CD1 4.48Å; L17-L21 HydrophobicContact CG-CD1 4.09Å; L17-L21 WeakPolarHBondContact O-CD1 3.31Å; L17-L21 PolarHBondContact O-N 2.85Å; L17-T63 HydrophobicContact CD2-CG2 4.4Å
18L68.4Low56.1Low115 Ų115107.2 Ų107.260%0.60258%0.583SS**Hα-helixtrans-62.7-43176.5-170.763.2000110.9A14 L16 M20 L21 S22A14-L18 VanDerWaalsContact O-CB 3.31Å; A14-L18 WeakPolarHBondContact O-CB 3.49Å; A14-L18 PolarHBondContact O-N 2.79Å; L16-L18 PolarHBondContact O-N 3.44Å; L18-M20 PolarHBondContact O-N 2.88Å; L18-L21 PolarHBondContact O-N 2.91Å; L18-S22 WeakPolarHBondContact O-CB 3.46Å; L18-S22 PolarHBondContact O-N 3.28Å; L18-S22 PolarHBondContact O-OG 3.48Å
19R65Low55.6Low195 Ų195107.4 Ų107.474%0.73660%0.602SS**Hα-helixtrans-63.9-37.6174.6-77.8-169.7172.6177.8-1.7113.2R15 L16 L17 S22 A23R15-R19 WeakPolarHBondContact O-CG 3.12Å; R15-R19 PolarHBondContact O-N 3.27Å; L16-R19 PolarHBondContact O-N 2.84Å; L17-R19 PolarHBondContact O-N 3.26Å; R19-S22 PolarHBondContact O-N 2.93Å; R19-A23 VanDerWaalsContact O-CB 3.31Å; R19-A23 WeakPolarHBondContact O-CB 3.45Å; R19-A23 PolarHBondContact O-N 3.45Å
20M57.8Low55.1Low134 Ų134105.5 Ų105.566%0.6661%0.605SS**Hα-helixtrans-69.2-37.8175.6-69.9-70.8-76.400111.8L16 L17 L18 A23 L24L16-M20 VanDerWaalsContact O-CG 3.26Å; L16-M20 WeakPolarHBondContact O-CG 3.27Å; L16-M20 PolarHBondContact O-N 3.34Å; L17-M20 PolarHBondContact O-N 3.02Å; L18-M20 PolarHBondContact O-N 2.88Å; M20-A23 PolarHBondContact O-N 3.49Å; M20-L24 PolarHBondContact O-N 3.39Å; M20-L24 VanDerWaalsContact O-N 3.16Å
21L58.6Low54.3Low107 Ų107108.8 Ų108.856%0.5662%0.617SS**Hα-helixtrans-65.9-37.6171.7-104.489.8000112.1L17 L18 A23 L24L17-L21 HydrophobicContact CD1-CD1 4.48Å; L17-L21 HydrophobicContact CG-CD1 4.09Å; L17-L21 WeakPolarHBondContact O-CD1 3.31Å; L17-L21 PolarHBondContact O-N 2.85Å; L18-L21 PolarHBondContact O-N 2.91Å; L21-A23 VanDerWaalsContact C-N 3.34Å; L21-L24 WeakPolarHBondContact O-CB 3.19Å; L21-L24 PolarHBondContact O-N 2.85Å
22S58Low53.7Low94 Ų94114.9 Ų114.966%0.65764%0.644SS**Hα-helixtrans-72.8-26.1176.5-52.40000113.5L18 R19 L24L18-S22 WeakPolarHBondContact O-CB 3.46Å; L18-S22 PolarHBondContact O-N 3.28Å; L18-S22 PolarHBondContact O-OG 3.48Å; R19-S22 PolarHBondContact O-N 2.93Å; S22-L24 VanDerWaalsContact C-N 3.34Å
23A50.7Low52.7Low77 Ų77120.5 Ų120.564%0.63667%0.665SS**Hα-helixtrans-84.8-10.3175.300000112.7R19 M20 L21 P25R19-A23 VanDerWaalsContact O-CB 3.31Å; R19-A23 WeakPolarHBondContact O-CB 3.45Å; R19-A23 PolarHBondContact O-N 3.45Å; M20-A23 PolarHBondContact O-N 3.49Å; L21-A23 VanDerWaalsContact C-N 3.34Å; A23-P25 WeakPolarHBondContact O-CD 3.27Å
24L46.4Very low51.6Low94 Ų94129.9 Ų129.949%0.49269%0.688SS.*SBendtrans-73.5118.3171-152.871.6000107.3M20 L21 S22 C26 F55M20-L24 PolarHBondContact O-N 3.39Å; M20-L24 VanDerWaalsContact O-N 3.16Å; L21-L24 WeakPolarHBondContact O-CB 3.19Å; L21-L24 PolarHBondContact O-N 2.85Å; S22-L24 VanDerWaalsContact C-N 3.34Å; L24-C26 PolarHBondContact O-N 2.87Å; L24-F55 HydrophobicContact CD2-CE1 4.43Å; L24-F55 HydrophobicContact CD2-CZ 4.5Å
25P48.8Very low50.6Low115 Ų115132.9 Ų132.975%0.74770%0.703SS**  trans-60.9106.5179.522.8-30.3000108A23 R27A23-P25 WeakPolarHBondContact O-CD 3.27Å; P25-R27 PolarHBondContact O-N 2.82Å
26C43.7Very low49.7Very low126 Ų126133.4 Ų133.485%0.85172%0.716SS**  trans-60.383.5166.8-72.10000107.8L24 G28L24-C26 PolarHBondContact O-N 2.87Å; C26-G28 PolarHBondContact O-N 2.91Å
27R45.9Very low48.6Very low246 Ų246135.9 Ų135.993%0.92873%0.729SS**  trans-74.369.7162.9-166.9166.7178.6134.9-2.6107.2P25P25-R27 PolarHBondContact O-N 2.82Å
28G39.3Very low47.2Very low52 Ų52135.1 Ų135.154%0.53674%0.741SS.*  trans-66.1133.8163.500000108.5C26 A30C26-G28 PolarHBondContact O-N 2.91Å; G28-A30 PolarHBondContact O-N 3.47Å
29P41.3Very low46.4Very low133 Ų133136.1 Ų136.186%0.86475%0.754SS**  trans-78.776.7172.732.3-30.6000108.5H31P29-H31 VanDerWaalsContact C-N 3.29Å; P29-H31 PolarHBondContact O-N 3.17Å
30A43.5Very low45.1Very low91 Ų91131.4 Ų131.475%0.75276%0.757SS**  trans-86.271.4168.300000109G28G28-A30 PolarHBondContact O-N 3.47Å
31H40.7Very low44.6Very low170 Ų170130.5 Ų130.579%0.78776%0.764SS**  trans-159.934.9165.7-125.3-75.4000116.6P29P29-H31 VanDerWaalsContact C-N 3.29Å; P29-H31 PolarHBondContact O-N 3.17Å
32L43.1Very low44.1Very low164 Ų164134.3 Ų134.386%0.85978%0.778SS**  trans-110.773.9164.9-129.9157.4000110.3
33Q37.1Very low43.3Very low170 Ų170138.4 Ų138.479%0.79479%0.792SS**  trans-59.1130.1163-152.8171.6-7800108.3
34R39.8Very low42.7Very low236 Ų236138.1 Ų138.189%0.89180%0.796SS**  trans-41.2144.2179.7-60.6175.1-1691151.4113.1
35P41.9Very low43Very low122 Ų122141.8 Ų141.879%0.79281%0.814SS**  -120.9143.4114.8119.2000113
36L46.3Very low42.6Very low161 Ų161143.8 Ų143.884%0.84382%0.818SS**  trans-44.4134.6167.7-173.599.3000113.7
37L43.3Very low42.7Very low170 Ų170147.7 Ų147.789%0.8982%0.815SS**  trans137.3119.1134.3-154.675.7000113.8
38G31.9Very low42.6Very low66 Ų66141.5 Ų141.568%0.6881%0.807SS**  trans131.7114.5157.600000115.9
39P52.2Low42.8Very low135 Ų135142.2 Ų142.288%0.87781%0.808SS**  trans-86.6110167.232.9-24.3000108.9
40A36.8Very low43.5Very low96 Ų96143.2 Ų143.279%0.79380%0.803SS**  trans-143.879.8165.300000108.4
41S48.3Very low43.7Very low116 Ų116144.5 Ų144.581%0.81180%0.801SS**  trans-52.7146.9153.2-42.50000108.4
42H47.6Very low44.2Very low186 Ų186139.5 Ų139.586%0.86179%0.789SS**  trans101.461.6159-129.4-90.4000118.4
43L41.2Very low44.8Very low181 Ų181137.3 Ų137.395%0.94878%0.775SS**  trans-161.3125.1146.3-147.971.2000112.4
44G38.7Very low45.8Very low70 Ų70132.5 Ų132.572%0.72276%0.76SS**  trans101.859.4154.300000117.4
45I51.1Low46.7Very low171 Ų171127 Ų12788%0.87774%0.743SS**  trans-50139142.8-68.4164.7000107.9
46L40.4Very low47.7Very low157 Ų157123 Ų12382%0.82272%0.719SS**  trans91.162169.4-137.996.6000118.3
47R47Very low48.8Very low208 Ų208119.9 Ų119.979%0.78570%0.703SS**  trans-158.177.9145.7-138.3179.8166.2154.1-1.5116.5A49R47-A49 PolarHBondContact O-N 2.7Å
48P42.8Very low50Low116 Ų116113.5 Ų113.575%0.75367%0.671SS**  trans-81.7106.2152.9-3.422.6000108.9
49A43.8Very low51.9Low68 Ų68113 Ų11356%0.56266%0.655SS**  trans20.8113.615100000119.3R47 T51R47-A49 PolarHBondContact O-N 2.7Å; A49-T51 VanDerWaalsContact C-N 3.26Å; A49-T51 PolarHBondContact O-N 3.44Å
50M55.5Low53.2Low153 Ų153111 Ų11175%0.75464%0.636SS**THydrogen-bonded Turntrans-62.723.4-176.2-147.1169.9-161.500117.9
51T49.1Very low55.1Low119 Ų119111.5 Ų111.573%0.7362%0.624SS**THydrogen-bonded Turntrans-146.3-5.2-178.449.90000116.2A49 H53A49-T51 VanDerWaalsContact C-N 3.26Å; A49-T51 PolarHBondContact O-N 3.44Å; T51-H53 PolarHBondContact O-N 2.69Å
52A51.4Low56.4Low64 Ų64109.7 Ų109.753%0.52960%0.602SS.*THydrogen-bonded Turntrans-69.6-20.6178.200000113.3S54 A56A52-S54 PolarHBondContact O-N 2.92Å; A52-A56 WeakPolarHBondContact O-CB 3.45Å; A52-A56 PolarHBondContact O-N 3.23Å; A52-A56 VanDerWaalsContact O-N 3.11Å
53H53.9Low57.7Low119 Ų119103.6 Ų103.655%0.55158%0.578SS**Hα-helixtrans-66-36.1-175.2-52.7-61000112.6T51 F55 A56 L57T51-H53 PolarHBondContact O-N 2.69Å; H53-F55 VanDerWaalsContact C-N 3.29Å; H53-F55 PolarHBondContact O-N 2.96Å; H53-A56 PolarHBondContact O-N 3.49Å; H53-L57 HydrophobicContact CB-CD1 4.46Å; H53-L57 VanDerWaalsContact O-CB 3.3Å; H53-L57 WeakPolarHBondContact O-CB 3.48Å; H53-L57 WeakPolarHBondContact O-CD1 3.27Å; H53-L57 WeakPolarHBondContact O-CG 3.05Å; H53-L57 PolarHBondContact O-N 2.94Å
54S59.2Low59.6Low69 Ų6999 Ų9948%0.48356%0.557SS.*Hα-helixtrans-68.8-28.3-174.1-139.70000113A52 P58 Y98A52-S54 PolarHBondContact O-N 2.92Å; S54-P58 WeakPolarHBondContact O-CD 3.37Å; S54-P58 WeakPolarHBondContact O-CG 3.35Å; S54-Y98 WeakPolarHBondContact O-CE1 3.25Å; S54-Y98 PolarHBondContact O-OH 3.22Å; S54-Y98 VanDerWaalsContact O-OH 3.04Å; S54-Y98 PolarHBondContact OG-OH 2.91Å
55F59.2Low61.5Low121 Ų12199.3 Ų99.353%0.53154%0.539SS..Hα-helixtrans-89.8-34.6174.4-179.9-103.2000112.1L24 H53 P58 V59L24-F55 HydrophobicContact CD2-CE1 4.43Å; L24-F55 HydrophobicContact CD2-CZ 4.5Å; H53-F55 VanDerWaalsContact C-N 3.29Å; H53-F55 PolarHBondContact O-N 2.96Å; F55-P58 VanDerWaalsContact O-CD 3.28Å; F55-P58 WeakPolarHBondContact O-CD 3.31Å; F55-P58 VanDerWaalsContact O-CG 3.28Å; F55-P58 WeakPolarHBondContact O-CG 3.38Å; F55-V59 HydrophobicContact CD1-CG2 4.49Å; F55-V59 HydrophobicContact CE1-CG2 4.09Å; F55-V59 HydrophobicContact CE2-CG2 4.3Å; F55-V59 HydrophobicContact CZ-CG2 4Å; F55-V59 VanDerWaalsContact O-CG2 3.31Å; F55-V59 WeakPolarHBondContact O-CG2 3.22Å
56A62.8Low62.7Low36 Ų3695.7 Ų95.730%0.29851%0.514SS..Hα-helixtrans-66-41177.800000112.1A52 H53 V59 I60A52-A56 WeakPolarHBondContact O-CB 3.45Å; A52-A56 PolarHBondContact O-N 3.23Å; A52-A56 VanDerWaalsContact O-N 3.11Å; H53-A56 PolarHBondContact O-N 3.49Å; A56-V59 PolarHBondContact O-N 3.38Å; A56-I60 HydrophobicContact CB-CD1 4.1Å; A56-I60 WeakPolarHBondContact O-CB 3.01Å; A56-I60 VanDerWaalsContact O-CD1 3.31Å; A56-I60 WeakPolarHBondContact O-CD1 3.47Å; A56-I60 WeakPolarHBondContact O-CG1 3.31Å; A56-I60 PolarHBondContact O-N 2.88Å
57L69.4Low64.7Low97 Ų9789.9 Ų89.951%0.50849%0.493SS..Hα-helixtrans-56.5-53.8-179.1-73.9166.9000113.9H53 V59 I60 I61H53-L57 HydrophobicContact CB-CD1 4.46Å; H53-L57 VanDerWaalsContact O-CB 3.3Å; H53-L57 WeakPolarHBondContact O-CB 3.48Å; H53-L57 WeakPolarHBondContact O-CD1 3.27Å; H53-L57 WeakPolarHBondContact O-CG 3.05Å; H53-L57 PolarHBondContact O-N 2.94Å; L57-V59 VanDerWaalsContact C-N 3.32Å; L57-V59 PolarHBondContact O-N 3.2Å; L57-I60 PolarHBondContact O-N 3.38Å; L57-I61 WeakPolarHBondContact O-CB 3.4Å; L57-I61 WeakPolarHBondContact O-CD1 3.36Å; L57-I61 WeakPolarHBondContact O-CG1 3.28Å; L57-I61 PolarHBondContact O-N 3.5Å
58P68Low66.3Low35 Ų3585.7 Ų85.723%0.22749%0.485CS..Hα-helixtrans-65.2-35.4179.326-36.3000112.4S54 F55 F62 Y98S54-P58 WeakPolarHBondContact O-CD 3.37Å; S54-P58 WeakPolarHBondContact O-CG 3.35Å; F55-P58 VanDerWaalsContact O-CD 3.28Å; F55-P58 WeakPolarHBondContact O-CD 3.31Å; F55-P58 VanDerWaalsContact O-CG 3.28Å; F55-P58 WeakPolarHBondContact O-CG 3.38Å; P58-F62 WeakPolarHBondContact O-CB 3.27Å; P58-F62 PolarHBondContact O-N 2.84Å; P58-Y98 HydrophobicContact CB-CD1 4.25Å; P58-Y98 HydrophobicContact CB-CE1 4.27Å; P58-Y98 HydrophobicContact CG-CD1 4.1Å; P58-Y98 HydrophobicContact CG-CE1 3.74Å
59V72.1Confident67.9Low55 Ų5583.5 Ų83.533%0.33347%0.466SS..Hα-helixtrans-66.8-43.5177.5174.70000110.9F55 A56 L57 T63F55-V59 HydrophobicContact CD1-CG2 4.49Å; F55-V59 HydrophobicContact CE1-CG2 4.09Å; F55-V59 HydrophobicContact CE2-CG2 4.3Å; F55-V59 HydrophobicContact CZ-CG2 4Å; F55-V59 VanDerWaalsContact O-CG2 3.31Å; F55-V59 WeakPolarHBondContact O-CG2 3.22Å; A56-V59 PolarHBondContact O-N 3.38Å; L57-V59 VanDerWaalsContact C-N 3.32Å; L57-V59 PolarHBondContact O-N 3.2Å; V59-T63 HydrophobicContact CG1-CG2 4.47Å; V59-T63 WeakPolarHBondContact O-CB 3.47Å; V59-T63 VanDerWaalsContact O-CG2 3.27Å; V59-T63 WeakPolarHBondContact O-CG2 3.33Å; V59-T63 PolarHBondContact O-N 3.27Å; V59-T63 PolarHBondContact O-OG1 3.3Å
60I78.1Confident69.2Low93 Ų9381.6 Ų81.648%0.47745%0.454SS..Hα-helixtrans-67.3-44.6178.1-66.6162.5000110.7A56 L57 T63 T64A56-I60 HydrophobicContact CB-CD1 4.1Å; A56-I60 WeakPolarHBondContact O-CB 3.01Å; A56-I60 VanDerWaalsContact O-CD1 3.31Å; A56-I60 WeakPolarHBondContact O-CD1 3.47Å; A56-I60 WeakPolarHBondContact O-CG1 3.31Å; A56-I60 PolarHBondContact O-N 2.88Å; L57-I60 PolarHBondContact O-N 3.38Å; I60-T63 WeakPolarHBondContact CA-OG1 3.21Å; I60-T63 PolarHBondContact O-N 3.47Å; I60-T63 PolarHBondContact O-OG1 3.25Å; I60-T63 VanDerWaalsContact O-OG1 3.08Å; I60-T64 HydrophobicContact CG2-CG2 4.31Å; I60-T64 WeakPolarHBondContact O-CB 3.27Å; I60-T64 VanDerWaalsContact O-CG2 3.28Å; I60-T64 WeakPolarHBondContact O-CG2 3.49Å; I60-T64 PolarHBondContact O-N 2.9Å; I60-T64 PolarHBondContact O-OG1 2.93Å
61I77.9Confident70.1Confident107 Ų10780.6 Ų80.655%0.54945%0.45SS..Hα-helixtrans-62.9-44.9177.8-66.7163.6000110.4L57 T64 F65L57-I61 WeakPolarHBondContact O-CB 3.4Å; L57-I61 WeakPolarHBondContact O-CD1 3.36Å; L57-I61 WeakPolarHBondContact O-CG1 3.28Å; L57-I61 PolarHBondContact O-N 3.5Å; I61-T64 PolarHBondContact O-OG1 3.24Å; I61-F65 WeakPolarHBondContact O-CB 3.26Å; I61-F65 PolarHBondContact O-N 2.91Å
62F74.9Confident71.2Confident79 Ų7976.3 Ų76.335%0.34643%0.427SS..Hα-helixtrans-65.2-47.3179-169.2-90.3000111.6P58 T64 F65 W66 V91 V95P58-F62 WeakPolarHBondContact O-CB 3.27Å; P58-F62 PolarHBondContact O-N 2.84Å; F62-T64 PolarHBondContact O-N 3.5Å; F62-F65 PolarHBondContact O-N 3.08Å; F62-W66 AromaticContact CD1-CD1 3.61Å; F62-W66 HydrophobicContact CD1-CG 4.43Å; F62-W66 AromaticContact CD2-CD1 3.71Å; F62-W66 AromaticContact CD2-NE1 3.51Å; F62-W66 AromaticContact CE1-CD1 3.53Å; F62-W66 HydrophobicContact CE1-CG 4.2Å; F62-W66 AromaticContact CE1-NE1 3.58Å; F62-W66 AromaticContact CE2-CD1 3.67Å; F62-W66 AromaticContact CE2-CE2 3.98Å; F62-W66 HydrophobicContact CE2-CZ2 4.47Å; F62-W66 AromaticContact CE2-NE1 3.05Å; F62-W66 AromaticContact CG-CD1 3.7Å; F62-W66 AromaticContact CG-NE1 3.97Å; F62-W66 AromaticContact CZ-CD1 3.57Å; F62-W66 HydrophobicContact CZ-CD2 4.5Å; F62-W66 AromaticContact CZ-CE2 3.7Å; F62-W66 HydrophobicContact CZ-CG 4.4Å; F62-W66 HydrophobicContact CZ-CZ2 4.18Å; F62-W66 AromaticContact CZ-NE1 3.09Å; F62-W66 WeakPolarHBondContact O-CB 3.41Å; F62-W66 PolarHBondContact O-N 2.95Å; F62-V91 HydrophobicContact CD2-CG1 3.57Å; F62-V91 HydrophobicContact CE2-CG1 3.54Å; F62-V95 HydrophobicContact CD2-CG2 4Å; F62-V95 HydrophobicContact CE2-CG2 4.32Å
63T75.1Confident72Confident57 Ų5774.5 Ų74.535%0.3541%0.414SS..Hα-helixtrans-64.9-42-178.948.30000112.6L17 V59 I60 G67L17-T63 HydrophobicContact CD2-CG2 4.4Å; V59-T63 HydrophobicContact CG1-CG2 4.47Å; V59-T63 WeakPolarHBondContact O-CB 3.47Å; V59-T63 VanDerWaalsContact O-CG2 3.27Å; V59-T63 WeakPolarHBondContact O-CG2 3.33Å; V59-T63 PolarHBondContact O-N 3.27Å; V59-T63 PolarHBondContact O-OG1 3.3Å; I60-T63 WeakPolarHBondContact CA-OG1 3.21Å; I60-T63 PolarHBondContact O-N 3.47Å; I60-T63 PolarHBondContact O-OG1 3.25Å; I60-T63 VanDerWaalsContact O-OG1 3.08Å; T63-G67 PolarHBondContact O-N 3.41Å
64T81.2Confident72.5Confident85 Ų8573.1 Ų73.152%0.52142%0.416SS..Hα-helixtrans-70-42.4177.153.90000112.2I60 I61 F62 G67 L68I60-T64 HydrophobicContact CG2-CG2 4.31Å; I60-T64 WeakPolarHBondContact O-CB 3.27Å; I60-T64 VanDerWaalsContact O-CG2 3.28Å; I60-T64 WeakPolarHBondContact O-CG2 3.49Å; I60-T64 PolarHBondContact O-N 2.9Å; I60-T64 PolarHBondContact O-OG1 2.93Å; I61-T64 PolarHBondContact O-OG1 3.24Å; F62-T64 PolarHBondContact O-N 3.5Å; T64-G67 PolarHBondContact O-N 2.85Å; T64-L68 VanDerWaalsContact O-CB 3.27Å; T64-L68 WeakPolarHBondContact O-CB 3.31Å; T64-L68 PolarHBondContact O-N 3.33Å
65F79.3Confident72.7Confident77 Ų7779.6 Ų79.634%0.33843%0.43SS..Hα-helixtrans-61.3-50.9177.7179.9-103.1000111.8I61 F62 L68 I69 I87 V91I61-F65 WeakPolarHBondContact O-CB 3.26Å; I61-F65 PolarHBondContact O-N 2.91Å; F62-F65 PolarHBondContact O-N 3.08Å; F65-L68 PolarHBondContact O-N 2.92Å; F65-I69 HydrophobicContact CD1-CD1 3.32Å; F65-I69 HydrophobicContact CD2-CD1 3.93Å; F65-I69 HydrophobicContact CE1-CD1 3.08Å; F65-I69 HydrophobicContact CE2-CD1 3.73Å; F65-I69 HydrophobicContact CG-CD1 3.75Å; F65-I69 HydrophobicContact CZ-CD1 3.33Å; F65-I69 WeakPolarHBondContact O-CD1 3.11Å; F65-I69 WeakPolarHBondContact O-CG1 3.31Å; F65-I69 PolarHBondContact O-N 3.34Å; F65-I87 HydrophobicContact CE1-CG2 3.79Å; F65-I87 HydrophobicContact CZ-CG2 3.5Å; F65-I87 VanDerWaalsContact CZ-CG2 3.5Å; F65-V91 HydrophobicContact CD1-CG2 4.28Å; F65-V91 HydrophobicContact CE1-CG2 3.63Å; F65-V91 HydrophobicContact CZ-CG2 4.13Å
66W76.4Confident72.7Confident94 Ų9480.9 Ų80.936%0.35644%0.435SS..Hα-helixtrans-68.9-35.2178.5-78.989.9000113F62 I69 G70 T88F62-W66 AromaticContact CD1-CD1 3.61Å; F62-W66 HydrophobicContact CD1-CG 4.43Å; F62-W66 AromaticContact CD2-CD1 3.71Å; F62-W66 AromaticContact CD2-NE1 3.51Å; F62-W66 AromaticContact CE1-CD1 3.53Å; F62-W66 HydrophobicContact CE1-CG 4.2Å; F62-W66 AromaticContact CE1-NE1 3.58Å; F62-W66 AromaticContact CE2-CD1 3.67Å; F62-W66 AromaticContact CE2-CE2 3.98Å; F62-W66 HydrophobicContact CE2-CZ2 4.47Å; F62-W66 AromaticContact CE2-NE1 3.05Å; F62-W66 AromaticContact CG-CD1 3.7Å; F62-W66 AromaticContact CG-NE1 3.97Å; F62-W66 AromaticContact CZ-CD1 3.57Å; F62-W66 HydrophobicContact CZ-CD2 4.5Å; F62-W66 AromaticContact CZ-CE2 3.7Å; F62-W66 HydrophobicContact CZ-CG 4.4Å; F62-W66 HydrophobicContact CZ-CZ2 4.18Å; F62-W66 AromaticContact CZ-NE1 3.09Å; F62-W66 WeakPolarHBondContact O-CB 3.41Å; F62-W66 PolarHBondContact O-N 2.95Å; W66-I69 PolarHBondContact O-N 3.48Å; W66-G70 PolarHBondContact O-N 3.35Å; W66-T88 HydrophobicContact CH2-CG2 3.19Å; W66-T88 HydrophobicContact CZ2-CG2 3.64Å; W66-T88 HydrophobicContact CZ3-CG2 3.96Å
67G81.9Confident71.8Confident36 Ų3683.9 Ų83.937%0.37145%0.45SS..Hα-helixtrans-61.1-45.9171.800000111.6T63 T64 G70 I71T63-G67 PolarHBondContact O-N 3.41Å; T64-G67 PolarHBondContact O-N 2.85Å; G67-G70 PolarHBondContact O-N 2.87Å; G67-I71 VanDerWaalsContact O-CG1 3.29Å; G67-I71 WeakPolarHBondContact O-CG1 3.4Å; G67-I71 PolarHBondContact O-N 3.38Å; G67-I71 VanDerWaalsContact O-N 3.09Å
68L79.9Confident70.9Confident120 Ų12084.6 Ų84.663%0.62846%0.46SS*.Hα-helixtrans-65.1-41.1177.8-169.566.5000111.3T64 F65 G70 I71 A72T64-L68 VanDerWaalsContact O-CB 3.27Å; T64-L68 WeakPolarHBondContact O-CB 3.31Å; T64-L68 PolarHBondContact O-N 3.33Å; F65-L68 PolarHBondContact O-N 2.92Å; L68-G70 VanDerWaalsContact C-N 3.35Å; L68-I71 PolarHBondContact O-N 2.92Å; L68-A72 WeakPolarHBondContact O-CA 3.39Å; L68-A72 WeakPolarHBondContact O-CB 3.17Å; L68-A72 PolarHBondContact O-N 3.45Å
69I76.2Confident70.4Confident69 Ų6992.8 Ų92.835%0.35449%0.493SS..Hα-helixtrans-68.8-33.9176.4-67.2156000111.8F65 W66 I71 G73F65-I69 HydrophobicContact CD1-CD1 3.32Å; F65-I69 HydrophobicContact CD2-CD1 3.93Å; F65-I69 HydrophobicContact CE1-CD1 3.08Å; F65-I69 HydrophobicContact CE2-CD1 3.73Å; F65-I69 HydrophobicContact CG-CD1 3.75Å; F65-I69 HydrophobicContact CZ-CD1 3.33Å; F65-I69 WeakPolarHBondContact O-CD1 3.11Å; F65-I69 WeakPolarHBondContact O-CG1 3.31Å; F65-I69 PolarHBondContact O-N 3.34Å; W66-I69 PolarHBondContact O-N 3.48Å; I69-I71 VanDerWaalsContact C-N 3.28Å; I69-I71 PolarHBondContact O-N 3.07Å; I69-G73 VanDerWaalsContact O-CA 3.27Å; I69-G73 WeakPolarHBondContact O-CA 3.42Å; I69-G73 PolarHBondContact O-N 3Å
70G72.6Confident69.7Low29 Ų2991.9 Ų91.930%0.29949%0.494SS..Hα-helixtrans-66.9-28.6174.400000113.5W66 G67 L68 P74W66-G70 PolarHBondContact O-N 3.35Å; G67-G70 PolarHBondContact O-N 2.87Å; L68-G70 VanDerWaalsContact C-N 3.35Å; G70-P74 WeakPolarHBondContact O-CD 3.49Å; G70-P74 WeakPolarHBondContact O-CG 3.25Å
71I74.2Confident68.9Low131 Ų13193.2 Ų93.267%0.67251%0.509SS*.Hα-helixtrans-92.3-40178.6-63.3166.6000111.5G67 L68 I69 P74G67-I71 VanDerWaalsContact O-CG1 3.29Å; G67-I71 WeakPolarHBondContact O-CG1 3.4Å; G67-I71 PolarHBondContact O-N 3.38Å; G67-I71 VanDerWaalsContact O-N 3.09Å; L68-I71 PolarHBondContact O-N 2.92Å; I69-I71 VanDerWaalsContact C-N 3.28Å; I69-I71 PolarHBondContact O-N 3.07Å; I71-P74 WeakPolarHBondContact O-CD 3.35Å
72A70.8Confident67.9Low30 Ų3093.6 Ų93.625%0.24851%0.512CS..Hα-helixtrans-77.6-31.2178.800000111.9L68 W75 F76L68-A72 WeakPolarHBondContact O-CA 3.39Å; L68-A72 WeakPolarHBondContact O-CB 3.17Å; L68-A72 PolarHBondContact O-N 3.45Å; A72-W75 CarbonylContact O-C 3.55Å; A72-W75 WeakPolarHBondContact O-CA 3.3Å; A72-W75 PolarHBondContact O-N 2.92Å; A72-F76 HydrophobicContact CB-CD2 3.98Å; A72-F76 HydrophobicContact CB-CE2 4.42Å; A72-F76 WeakPolarHBondContact O-CB 3.38Å; A72-F76 WeakPolarHBondContact O-CD2 3.42Å; A72-F76 PolarHBondContact O-N 3.47Å
73G69.7Low67.1Low25 Ų2599.5 Ų99.526%0.25853%0.532SS..Hα-helixtrans-55.9-45.1178.700000114I69 W75 V77I69-G73 VanDerWaalsContact O-CA 3.27Å; I69-G73 WeakPolarHBondContact O-CA 3.42Å; I69-G73 PolarHBondContact O-N 3Å; G73-W75 VanDerWaalsContact C-N 3.27Å; G73-W75 PolarHBondContact O-N 3.34Å; G73-V77 WeakPolarHBondContact O-CB 3.31Å; G73-V77 WeakPolarHBondContact O-CG2 3.21Å; G73-V77 PolarHBondContact O-N 3.4Å
74P63.9Low66.6Low90 Ų9098.9 Ų98.958%0.58454%0.537SS*.Hα-helixtrans-62.9-29171.8-24.932.9000114.6G70 I71G70-P74 WeakPolarHBondContact O-CD 3.49Å; G70-P74 WeakPolarHBondContact O-CG 3.25Å; I71-P74 WeakPolarHBondContact O-CD 3.35Å
75W64Low65.9Low206 Ų20699.1 Ų99.178%0.7854%0.538SS*.Hα-helixtrans-89.3-28.4-176.9-155.282.6000112.8A72 G73A72-W75 CarbonylContact O-C 3.55Å; A72-W75 WeakPolarHBondContact O-CA 3.3Å; A72-W75 PolarHBondContact O-N 2.92Å; G73-W75 VanDerWaalsContact C-N 3.27Å; G73-W75 PolarHBondContact O-N 3.34Å
76F57.8Low65.1Low147 Ų147101.1 Ų101.165%0.64555%0.551SS**Hα-helixtrans-101.23.3-176.7-83-82.1000114.9A72 P78A72-F76 HydrophobicContact CB-CD2 3.98Å; A72-F76 HydrophobicContact CB-CE2 4.42Å; A72-F76 WeakPolarHBondContact O-CB 3.38Å; A72-F76 WeakPolarHBondContact O-CD2 3.42Å; A72-F76 PolarHBondContact O-N 3.47Å; F76-P78 WeakPolarHBondContact O-CD 3.42Å
77V45.2Very low64.6Low100 Ų100100.5 Ų100.561%0.60655%0.554SS**  trans-107.990.8178.5-179.30000111.8G73G73-V77 WeakPolarHBondContact O-CB 3.31Å; G73-V77 WeakPolarHBondContact O-CG2 3.21Å; G73-V77 PolarHBondContact O-N 3.4Å
78P49.7Very low63.8Low112 Ų112101 Ų10173%0.72755%0.55SS*.SBendtrans-89.2108.5130.1-3.120.9000109.2F76F76-P78 WeakPolarHBondContact O-CD 3.42Å
79K56.8Low63.1Low207 Ų207101 Ų10190%0.955%0.548SS*.SBendtrans4388.6155-61.5176.1178850117.6
80G57.3Low62.7Low35 Ų35103.9 Ų103.936%0.36156%0.564SS.*  trans-154.5116.5164.100000112.2N82G80-N82 PolarHBondContact O-N 2.85Å
81P61Low62.5Low122 Ų122103.9 Ų103.979%0.79256%0.558SS**THydrogen-bonded Turntrans-72.5-17.7-16120.6-29.8000117.6
82N56.8Low62.1Low114 Ų114100.2 Ų100.261%0.6155%0.547SS*.THydrogen-bonded Turntrans-130.816.5-163.3-61.6-45.6000116.3G80G80-N82 PolarHBondContact O-N 2.85Å
83R59.8Low62.1Low203 Ų203102.6 Ų102.677%0.76656%0.558SS**Hα-helixtrans-75.6-33.4-172.6-63.1-172.4-177-123.70.7114.4I87R83-I87 VanDerWaalsContact O-CD1 3.31Å; R83-I87 WeakPolarHBondContact O-CD1 3.08Å; R83-I87 WeakPolarHBondContact O-CG1 3.36Å
84G64.6Low61.6Low45 Ų45104.3 Ų104.346%0.46457%0.57SS.*Hα-helixtrans-71.2-40.7-176.800000112.9I86 I87 T88G84-I86 PolarHBondContact O-N 3.03Å; G84-I87 PolarHBondContact O-N 2.83Å; G84-T88 VanDerWaalsContact O-CG2 3.27Å; G84-T88 WeakPolarHBondContact O-CG2 3.28Å; G84-T88 PolarHBondContact O-N 3.39Å; G84-T88 PolarHBondContact O-OG1 3.16Å
85V64.9Low61.7Low90 Ų90102.5 Ų102.555%0.54556%0.557SS.*Hα-helixtrans-63.6-44-167.4173.60000112.5I87 T88 M89V85-I87 PolarHBondContact O-N 3.32Å; V85-T88 WeakPolarHBondContact CA-OG1 3.28Å; V85-T88 PolarHBondContact O-N 3.31Å; V85-T88 PolarHBondContact O-OG1 3.41Å; V85-M89 WeakPolarHBondContact O-CB 3.48Å; V85-M89 WeakPolarHBondContact O-CG 3.33Å; V85-M89 PolarHBondContact O-N 2.91Å
86I64.3Low61.6Low119 Ų11995.9 Ų95.961%0.6154%0.541SS*.Hα-helixtrans-64.7-42.1-179.9-58.7171.1000110.6G84 M89 L90G84-I86 PolarHBondContact O-N 3.03Å; I86-M89 PolarHBondContact O-N 3.11Å; I86-L90 PolarHBondContact O-N 2.94Å
87I65.1Low61.8Low81 Ų8192.5 Ų92.542%0.41554%0.536SS..Hα-helixtrans-65.7-42.7178.9-62.1170.4000110.5F65 R83 G84 V85 L90 V91F65-I87 HydrophobicContact CE1-CG2 3.79Å; F65-I87 HydrophobicContact CZ-CG2 3.5Å; F65-I87 VanDerWaalsContact CZ-CG2 3.5Å; R83-I87 VanDerWaalsContact O-CD1 3.31Å; R83-I87 WeakPolarHBondContact O-CD1 3.08Å; R83-I87 WeakPolarHBondContact O-CG1 3.36Å; G84-I87 PolarHBondContact O-N 2.83Å; V85-I87 PolarHBondContact O-N 3.32Å; I87-L90 PolarHBondContact O-N 2.87Å; I87-V91 WeakPolarHBondContact O-CB 2.95Å; I87-V91 VanDerWaalsContact O-CG2 3.25Å; I87-V91 WeakPolarHBondContact O-CG2 3.37Å; I87-V91 PolarHBondContact O-N 3.25Å
88T66.3Low62.6Low45 Ų4592.6 Ų92.628%0.27653%0.526SS..Hα-helixtrans-69-35.3178.758.70000113W66 G84 V85 A92W66-T88 HydrophobicContact CH2-CG2 3.19Å; W66-T88 HydrophobicContact CZ2-CG2 3.64Å; W66-T88 HydrophobicContact CZ3-CG2 3.96Å; G84-T88 VanDerWaalsContact O-CG2 3.27Å; G84-T88 WeakPolarHBondContact O-CG2 3.28Å; G84-T88 PolarHBondContact O-N 3.39Å; G84-T88 PolarHBondContact O-OG1 3.16Å; V85-T88 WeakPolarHBondContact CA-OG1 3.28Å; V85-T88 PolarHBondContact O-N 3.31Å; V85-T88 PolarHBondContact O-OG1 3.41Å; T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.3Å; T88-A92 PolarHBondContact O-N 2.93Å
89M65.1Low63.2Low121 Ų12191.9 Ų91.960%0.59652%0.515SS*.Hα-helixtrans-66.3-45.6174.6-80-70.8155.800111V85 I86 V91 A92 T93V85-M89 WeakPolarHBondContact O-CB 3.48Å; V85-M89 WeakPolarHBondContact O-CG 3.33Å; V85-M89 PolarHBondContact O-N 2.91Å; I86-M89 PolarHBondContact O-N 3.11Å; M89-V91 VanDerWaalsContact C-N 3.31Å; M89-V91 PolarHBondContact O-N 2.84Å; M89-A92 PolarHBondContact O-N 3.33Å; M89-T93 WeakPolarHBondContact O-CB 3.43Å; M89-T93 PolarHBondContact O-N 2.92Å; M89-T93 PolarHBondContact O-OG1 3.23Å
90L66Low63.1Low130 Ų13086.2 Ų86.268%0.68149%0.494SS*.Hα-helixtrans-60.8-41.5177.7-133.693.6000111.9I86 I87 T93 A94I86-L90 PolarHBondContact O-N 2.94Å; I87-L90 PolarHBondContact O-N 2.87Å; L90-T93 PolarHBondContact O-N 3.43Å; L90-A94 WeakPolarHBondContact O-CB 3.2Å; L90-A94 PolarHBondContact O-N 2.94Å
91V69.3Low63.1Low29 Ų2988.8 Ų88.818%0.17651%0.506CS..Hα-helixtrans-70.4-42.3179.4172.80000111.5F62 F65 I87 M89 T93 A94 V95F62-V91 HydrophobicContact CD2-CG1 3.57Å; F62-V91 HydrophobicContact CE2-CG1 3.54Å; F65-V91 HydrophobicContact CD1-CG2 4.28Å; F65-V91 HydrophobicContact CE1-CG2 3.63Å; F65-V91 HydrophobicContact CZ-CG2 4.13Å; I87-V91 WeakPolarHBondContact O-CB 2.95Å; I87-V91 VanDerWaalsContact O-CG2 3.25Å; I87-V91 WeakPolarHBondContact O-CG2 3.37Å; I87-V91 PolarHBondContact O-N 3.25Å; M89-V91 VanDerWaalsContact C-N 3.31Å; M89-V91 PolarHBondContact O-N 2.84Å; V91-T93 VanDerWaalsContact C-N 3.31Å; V91-T93 PolarHBondContact O-N 3.32Å; V91-A94 PolarHBondContact O-N 3.46Å; V91-V95 HydrophobicContact CG1-CG2 4.37Å; V91-V95 WeakPolarHBondContact O-CB 3.23Å; V91-V95 VanDerWaalsContact O-CG2 3.23Å; V91-V95 WeakPolarHBondContact O-CG2 3.45Å; V91-V95 PolarHBondContact O-N 3.49Å
92A66.4Low62.8Low53 Ų5386.9 Ų86.944%0.43849%0.493SS..Hα-helixtrans-62.6-39.6175.600000111.6T88 M89 C96T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.3Å; T88-A92 PolarHBondContact O-N 2.93Å; M89-A92 PolarHBondContact O-N 3.33Å; A92-C96 VanDerWaalsContact O-CB 3.23Å; A92-C96 WeakPolarHBondContact O-CB 3.46Å; A92-C96 PolarHBondContact O-N 2.72Å
93T69.8Low62.7Low81 Ų8184.4 Ų84.450%0.49749%0.489SS..Hα-helixtrans-65-45.7174.3-580000111.6M89 L90 V91 V95 C96 C97M89-T93 WeakPolarHBondContact O-CB 3.43Å; M89-T93 PolarHBondContact O-N 2.92Å; M89-T93 PolarHBondContact O-OG1 3.23Å; L90-T93 PolarHBondContact O-N 3.43Å; V91-T93 VanDerWaalsContact C-N 3.31Å; V91-T93 PolarHBondContact O-N 3.32Å; T93-V95 VanDerWaalsContact C-N 3.34Å; T93-V95 PolarHBondContact O-N 2.93Å; T93-C96 PolarHBondContact O-N 3.4Å; T93-C97 WeakPolarHBondContact O-CB 3.38Å; T93-C97 PolarHBondContact O-N 2.91Å; T93-C97 PolarHBondContact O-SG 3.29Å
94A58.7Low62.4Low61 Ų6180 Ų8050%0.50448%0.48SS..Hα-helixtrans-62.6-40.1177.700000112.3L90 V91 Y98L90-A94 WeakPolarHBondContact O-CB 3.2Å; L90-A94 PolarHBondContact O-N 2.94Å; V91-A94 PolarHBondContact O-N 3.46Å; A94-Y98 VanDerWaalsContact O-CB 3.25Å; A94-Y98 WeakPolarHBondContact O-CB 3.42Å; A94-Y98 PolarHBondContact O-N 2.8Å
95V66.1Low62Low52 Ų5287.3 Ų87.332%0.31549%0.493SS..Hα-helixtrans-66.9-44.2174.9173.10000110.7F62 V91 T93 Y98 L99F62-V95 HydrophobicContact CD2-CG2 4Å; F62-V95 HydrophobicContact CE2-CG2 4.32Å; V91-V95 HydrophobicContact CG1-CG2 4.37Å; V91-V95 WeakPolarHBondContact O-CB 3.23Å; V91-V95 VanDerWaalsContact O-CG2 3.23Å; V91-V95 WeakPolarHBondContact O-CG2 3.45Å; V91-V95 PolarHBondContact O-N 3.49Å; T93-V95 VanDerWaalsContact C-N 3.34Å; T93-V95 PolarHBondContact O-N 2.93Å; V95-Y98 PolarHBondContact O-N 2.97Å; V95-L99 HydrophobicContact CG1-CD1 3.71Å; V95-L99 HydrophobicContact CG1-CG 4.26Å; V95-L99 WeakPolarHBondContact O-CB 3.39Å; V95-L99 WeakPolarHBondContact O-CG 3.33Å; V95-L99 PolarHBondContact O-N 3.36Å
96C61.9Low61.4Low66 Ų6691 Ų9145%0.44651%0.506SS..Hα-helixtrans-58.3-51.5175.1-174.70000110.5A92 T93 Y98 L99 L100A92-C96 VanDerWaalsContact O-CB 3.23Å; A92-C96 WeakPolarHBondContact O-CB 3.46Å; A92-C96 PolarHBondContact O-N 2.72Å; T93-C96 PolarHBondContact O-N 3.4Å; C96-Y98 VanDerWaalsContact C-N 3.33Å; C96-Y98 PolarHBondContact O-N 3.04Å; C96-L99 PolarHBondContact O-N 3.36Å; C96-L100 VanDerWaalsContact O-CB 3.26Å; C96-L100 WeakPolarHBondContact O-CB 3.22Å; C96-L100 PolarHBondContact O-N 2.92Å
97C62.8Low60.5Low77 Ų7789 Ų8952%0.5250%0.501SS..Hα-helixtrans-62-38178.9-66.60000112.7T93 C101T93-C97 WeakPolarHBondContact O-CB 3.38Å; T93-C97 PolarHBondContact O-N 2.91Å; T93-C97 PolarHBondContact O-SG 3.29Å; C97-C101 WeakPolarHBondContact O-CB 3.23Å; C97-C101 PolarHBondContact O-N 3.42Å
98Y62.6Low59.8Low102 Ų10291 Ų9140%0.452%0.517SS..Hα-helixtrans-70.2-34.2177.8-167-95000112.8S54 P58 A94 V95 C96 P102S54-Y98 WeakPolarHBondContact O-CE1 3.25Å; S54-Y98 PolarHBondContact O-OH 3.22Å; S54-Y98 VanDerWaalsContact O-OH 3.04Å; S54-Y98 PolarHBondContact OG-OH 2.91Å; P58-Y98 HydrophobicContact CB-CD1 4.25Å; P58-Y98 HydrophobicContact CB-CE1 4.27Å; P58-Y98 HydrophobicContact CG-CD1 4.1Å; P58-Y98 HydrophobicContact CG-CE1 3.74Å; A94-Y98 VanDerWaalsContact O-CB 3.25Å; A94-Y98 WeakPolarHBondContact O-CB 3.42Å; A94-Y98 PolarHBondContact O-N 2.8Å; V95-Y98 PolarHBondContact O-N 2.97Å; C96-Y98 VanDerWaalsContact C-N 3.33Å; C96-Y98 PolarHBondContact O-N 3.04Å; Y98-P102 WeakPolarHBondContact O-CD 2.95Å
99L61.3Low58.5Low97 Ų9793.2 Ų93.251%0.50854%0.54SS..Hα-helixtrans-80.1-31.5175.2-65.5174.7000112.5V95 C96 P102V95-L99 HydrophobicContact CG1-CD1 3.71Å; V95-L99 HydrophobicContact CG1-CG 4.26Å; V95-L99 WeakPolarHBondContact O-CB 3.39Å; V95-L99 WeakPolarHBondContact O-CG 3.33Å; V95-L99 PolarHBondContact O-N 3.36Å; C96-L99 PolarHBondContact O-N 3.36Å; L99-P102 WeakPolarHBondContact O-CD 3.19Å; L99-P102 WeakPolarHBondContact O-CG 3.49Å
100L54.4Low57.5Low87 Ų8792.6 Ų92.646%0.45555%0.545SS..Hα-helixtrans-75.8-28.1175.3-131.171.8000111.6C96 A103 L104C96-L100 VanDerWaalsContact O-CB 3.26Å; C96-L100 WeakPolarHBondContact O-CB 3.22Å; C96-L100 PolarHBondContact O-N 2.92Å; L100-A103 PolarHBondContact O-N 3.06Å; L100-L104 HydrophobicContact CB-CD1 3.95Å; L100-L104 HydrophobicContact CD2-CD1 3.5Å; L100-L104 VanDerWaalsContact CD2-CD1 3.5Å; L100-L104 HydrophobicContact CD2-CG 4.41Å; L100-L104 HydrophobicContact CG-CD1 3.56Å; L100-L104 HydrophobicContact CG-CG 4.11Å; L100-L104 WeakPolarHBondContact O-CB 3.41Å; L100-L104 WeakPolarHBondContact O-CG 3.32Å; L100-L104 PolarHBondContact O-N 2.91Å
101C59.1Low56.5Low89 Ų8994.7 Ų94.760%0.60156%0.556SS**Hα-helixtrans-58.6-41.5177.7-121.80000114.8C97 R105C97-C101 WeakPolarHBondContact O-CB 3.23Å; C97-C101 PolarHBondContact O-N 3.42Å; C101-R105 WeakPolarHBondContact O-CB 3.26Å; C101-R105 PolarHBondContact O-N 3.22Å
102P54Low55Low83 Ų8398.1 Ų98.154%0.53958%0.581SS.*Hα-helixtrans-76.3-31.7170.821.4-26.5000113.4Y98 L99 R105Y98-P102 WeakPolarHBondContact O-CD 2.95Å; L99-P102 WeakPolarHBondContact O-CD 3.19Å; L99-P102 WeakPolarHBondContact O-CG 3.49Å; P102-R105 WeakPolarHBondContact O-CB 3.37Å; P102-R105 PolarHBondContact O-N 2.82Å
103A55.2Low53.8Low62 Ų62103.3 Ų103.351%0.51260%0.601SS.*Hα-helixtrans-74-35.4178.600000113.3L100 R105 M106 P107L100-A103 PolarHBondContact O-N 3.06Å; A103-R105 VanDerWaalsContact C-N 3.29Å; A103-M106 PolarHBondContact O-N 2.77Å; A103-P107 VanDerWaalsContact O-CD 3.32Å; A103-P107 WeakPolarHBondContact O-CD 3.26Å
104L53.6Low52.3Low109 Ų109105.3 Ų105.357%0.57161%0.613SS**THydrogen-bonded Turntrans-81.7-5171.5-73160.5000112.8L100 P107L100-L104 HydrophobicContact CB-CD1 3.95Å; L100-L104 HydrophobicContact CD2-CD1 3.5Å; L100-L104 VanDerWaalsContact CD2-CD1 3.5Å; L100-L104 HydrophobicContact CD2-CG 4.41Å; L100-L104 HydrophobicContact CG-CD1 3.56Å; L100-L104 HydrophobicContact CG-CG 4.11Å; L100-L104 WeakPolarHBondContact O-CB 3.41Å; L100-L104 WeakPolarHBondContact O-CG 3.32Å; L100-L104 PolarHBondContact O-N 2.91Å; L104-P107 VanDerWaalsContact CA-CD 3.42Å; L104-P107 HydrophobicContact CD2-CG 4.18Å; L104-P107 WeakPolarHBondContact O-CD 3.42Å
105R54.8Low51.5Low200 Ų200108.9 Ų108.976%0.75563%0.628SS**THydrogen-bonded Turntrans-75.9-10.8165.4-158.981.6102.299.63.1111.9C101 P102 A103C101-R105 WeakPolarHBondContact O-CB 3.26Å; C101-R105 PolarHBondContact O-N 3.22Å; P102-R105 WeakPolarHBondContact O-CB 3.37Å; P102-R105 PolarHBondContact O-N 2.82Å; A103-R105 VanDerWaalsContact C-N 3.29Å
106M52.9Low50.6Low166 Ų166112.4 Ų112.482%0.81865%0.652SS**SBendtrans-129.129.7-177.5-64.9-66.9-76.700116.6A103A103-M106 PolarHBondContact O-N 2.77Å
107P45.1Very low49.7Very low77 Ų77114.7 Ų114.750%0.567%0.669SS.*  trans-125.255.715636.1-16.9000108.8A103 L104A103-P107 VanDerWaalsContact O-CD 3.32Å; A103-P107 WeakPolarHBondContact O-CD 3.26Å; L104-P107 VanDerWaalsContact CA-CD 3.42Å; L104-P107 HydrophobicContact CD2-CG 4.18Å; L104-P107 WeakPolarHBondContact O-CD 3.42Å
108V49.8Very low48.9Very low125 Ų125116.4 Ų116.476%0.75868%0.682SS**  trans-113.354.5152.2-77.60000108P110V108-P110 VanDerWaalsContact O-CD 3.28Å; V108-P110 WeakPolarHBondContact O-CD 3.36Å
109A39.5Very low48Very low90 Ų90114.9 Ų114.974%0.74470%0.697SS**  trans-86.2100144.200000105.1L111A109-L111 PolarHBondContact O-N 3.22Å
110P45Very low47.4Very low109 Ų109115.4 Ų115.471%0.70871%0.707SS**  trans-71.6104.7176.529.3-30.1000107.2V108 S112V108-P110 VanDerWaalsContact O-CD 3.28Å; V108-P110 WeakPolarHBondContact O-CD 3.36Å; P110-S112 PolarHBondContact O-N 3.47Å
111L45.3Very low46.8Very low174 Ų174114.1 Ų114.191%0.91171%0.705SS**SBendtrans-71.178.8150.3-79.8174.7000106.9A109A109-L111 PolarHBondContact O-N 3.22Å
112S37.5Very low46.5Very low100 Ų100114.9 Ų114.970%0.69971%0.709SS**SBendtrans177.5112.2140.3-790000108.2P110 T114P110-S112 PolarHBondContact O-N 3.47Å; S112-T114 PolarHBondContact O-N 2.77Å
113L41.5Very low46.1Very low163 Ų163115 Ų11585%0.85371%0.708SS**  trans-45.5121.7162.3-75.969.7000109
114T38.4Very low45.2Very low122 Ų122117.5 Ų117.575%0.74871%0.709SS**  175.4119.3119.538.50000109.6S112S112-T114 PolarHBondContact O-N 2.77Å
115T39.8Very low44.9Very low136 Ų136117.9 Ų117.983%0.83471%0.711SS**  trans68.9131154.558.80000120.7
116P48.1Very low44.4Very low126 Ų126112.1 Ų112.182%0.81870%0.701SS**  trans-90.9173.8-171.839.4-35.2000112.1
117S43.4Very low44.1Very low114 Ų114109 Ų10980%0.79769%0.687SS**  trans98.281.3166.8-169.30000116.3
118S44.9Very low44.3Very low114 Ų114109.7 Ų109.780%0.79769%0.689SS**  168.7111.1126.942.30000107.9
119G45.1Very low44.2Very low69 Ų69107.4 Ų107.471%0.71168%0.679SS**PPolyproline II helixtrans-62.1137.9175.700000110S121G119-S121 PolarHBondContact O-N 3.15Å; G119-S121 VanDerWaalsContact O-N 3.15Å
120P48.6Very low44.2Very low109 Ų109106 Ų10671%0.70866%0.663SS**PPolyproline II helixtrans-66.9119.2176.126.9-31.3000108.4
121S42.3Very low44.1Very low60 Ų60104.5 Ų104.542%0.4266%0.656SS.*PPolyproline II helixtrans-60.1146.3175.447.30000110.6G119 T123 Q124G119-S121 PolarHBondContact O-N 3.15Å; G119-S121 VanDerWaalsContact O-N 3.15Å; S121-T123 PolarHBondContact O-N 3.36Å; S121-T123 PolarHBondContact OG-OG1 3.12Å; S121-Q124 PolarHBondContact O-N 3.31Å
122P51.6Low44.2Very low105 Ų105103.3 Ų103.368%0.68265%0.649SS**Hα-helixtrans-57.8-14.9-174.922-33.9000114.2C126P122-C126 PolarHBondContact O-N 2.74Å
123T45.4Very low44.5Very low86 Ų86106 Ų10653%0.52866%0.655SS.*Hα-helixtrans-66.1-32.517439.50000113.5S121 C126 L127S121-T123 PolarHBondContact O-N 3.36Å; S121-T123 PolarHBondContact OG-OG1 3.12Å; T123-C126 PolarHBondContact O-N 3.38Å; T123-L127 WeakPolarHBondContact O-CG 3.49Å; T123-L127 PolarHBondContact O-N 3.37Å
124Q35.7Very low44.3Very low113 Ų113104.3 Ų104.353%0.52865%0.646SS.*Hα-helixtrans-71.8-36.2179.7-71-69.8-13.600112.4S121 L127 V128S121-Q124 PolarHBondContact O-N 3.31Å; Q124-L127 PolarHBondContact O-N 2.66Å; Q124-V128 PolarHBondContact O-N 2.83Å; Q124-V128 VanDerWaalsContact O-N 3.09Å
125L47.5Very low44Very low118 Ų118101.5 Ų101.562%0.61864%0.635SS**Hα-helixtrans-72.4-33.9174.4-78.2162.6000112.2S129L125-S129 WeakPolarHBondContact O-CB 3.42Å; L125-S129 PolarHBondContact O-N 3.22Å; L125-S129 PolarHBondContact O-OG 3.27Å
126C44.4Very low43.8Very low79 Ų79100.9 Ų100.953%0.53463%0.634SS.*Hα-helixtrans-65.2-38.3170.3-83.40000111.8P122 T123 S130P122-C126 PolarHBondContact O-N 2.74Å; T123-C126 PolarHBondContact O-N 3.38Å; C126-S130 WeakPolarHBondContact O-CB 2.97Å; C126-S130 PolarHBondContact O-N 3.19Å; C126-S130 PolarHBondContact O-OG 2.98Å
127L46.3Very low43.6Very low100 Ų100106.2 Ų106.252%0.52464%0.637SS.*Hα-helixtrans-67.1-44.7176.9-78166.2000112T123 Q124 S129 S130 S131T123-L127 WeakPolarHBondContact O-CG 3.49Å; T123-L127 PolarHBondContact O-N 3.37Å; Q124-L127 PolarHBondContact O-N 2.66Å; L127-S129 PolarHBondContact O-N 3.23Å; L127-S130 PolarHBondContact O-N 3.47Å; L127-S131 WeakPolarHBondContact O-CB 3.21Å; L127-S131 PolarHBondContact O-N 2.8Å; L127-S131 PolarHBondContact O-OG 2.9Å
128V50.6Low43Very low92 Ų92107.3 Ų107.356%0.55863%0.634SS**Hα-helixtrans-63.7-41.1175.6169.30000112.1Q124 S131 L132Q124-V128 PolarHBondContact O-N 2.83Å; Q124-V128 VanDerWaalsContact O-N 3.09Å; V128-S131 PolarHBondContact O-N 3.44Å; V128-L132 PolarHBondContact O-N 3.06Å; V128-L132 VanDerWaalsContact O-N 3.12Å
129S48Very low43Very low77 Ų77107.2 Ų107.254%0.53863%0.631SS.*Hα-helixtrans-67.2-37.9176-60.10000111.9L125 L127 L133L125-S129 WeakPolarHBondContact O-CB 3.42Å; L125-S129 PolarHBondContact O-N 3.22Å; L125-S129 PolarHBondContact O-OG 3.27Å; L127-S129 PolarHBondContact O-N 3.23Å; S129-L133 WeakPolarHBondContact O-CB 3.18Å; S129-L133 PolarHBondContact O-N 3.02Å; S129-L133 VanDerWaalsContact O-N 3.15Å
130S39.3Very low42.6Very low59 Ų59109.8 Ų109.841%0.41363%0.628SS.*Hα-helixtrans-70.2-38.2176.6-590000111.3C126 L127 L132 L133 L134C126-S130 WeakPolarHBondContact O-CB 2.97Å; C126-S130 PolarHBondContact O-N 3.19Å; C126-S130 PolarHBondContact O-OG 2.98Å; L127-S130 PolarHBondContact O-N 3.47Å; S130-L132 VanDerWaalsContact C-N 3.35Å; S130-L132 PolarHBondContact O-N 3.44Å; S130-L133 CarbonylContact O-C 3.59Å; S130-L133 PolarHBondContact O-N 3.09Å; S130-L134 VanDerWaalsContact O-CB 3.26Å; S130-L134 WeakPolarHBondContact O-CB 3.32Å; S130-L134 WeakPolarHBondContact O-CD1 3.48Å; S130-L134 PolarHBondContact O-N 3.01Å
131S41.7Very low42.2Very low79 Ų79112.8 Ų112.855%0.55264%0.638SS**Hα-helixtrans-67.9-31.1176.6-65.60000113.1L127 V128 A135L127-S131 WeakPolarHBondContact O-CB 3.21Å; L127-S131 PolarHBondContact O-N 2.8Å; L127-S131 PolarHBondContact O-OG 2.9Å; V128-S131 PolarHBondContact O-N 3.44Å; S131-A135 PolarHBondContact O-N 3.01Å
132L48Very low42.1Very low148 Ų148118.2 Ų118.278%0.77566%0.657SS**Hα-helixtrans-75.4-29.7172.4-123.282000112.5V128 S130V128-L132 PolarHBondContact O-N 3.06Å; V128-L132 VanDerWaalsContact O-N 3.12Å; S130-L132 VanDerWaalsContact C-N 3.35Å; S130-L132 PolarHBondContact O-N 3.44Å
133L43.1Very low41.5Very low156 Ų156116.3 Ų116.382%0.81766%0.656SS**Hα-helixtrans-82.8-28.6177.2-134.783.6000112.9S129 S130S129-L133 WeakPolarHBondContact O-CB 3.18Å; S129-L133 PolarHBondContact O-N 3.02Å; S129-L133 VanDerWaalsContact O-N 3.15Å; S130-L133 CarbonylContact O-C 3.59Å; S130-L133 PolarHBondContact O-N 3.09Å
134L37.8Very low40.9Very low129 Ų129120.5 Ų120.568%0.67567%0.674SS**SBendtrans-95.4-0.3179.3-88.688000113.9S130 P136S130-L134 VanDerWaalsContact O-CB 3.26Å; S130-L134 WeakPolarHBondContact O-CB 3.32Å; S130-L134 WeakPolarHBondContact O-CD1 3.48Å; S130-L134 PolarHBondContact O-N 3.01Å; L134-P136 WeakPolarHBondContact O-CD 3.15Å; L134-P136 WeakPolarHBondContact O-CG 3.38Å
135A31.5Very low41.4Very low62 Ų62121 Ų12151%0.51269%0.687SS.*SBendtrans-59.9105.9165.900000107.8S131 R137S131-A135 PolarHBondContact O-N 3.01Å; A135-R137 PolarHBondContact O-N 3.15Å
136P36.3Very low40.8Very low124 Ų124118.9 Ų118.981%0.80569%0.693SS**  trans-65.2116-167.4-19.733.4000109.2L134 D138L134-P136 WeakPolarHBondContact O-CD 3.15Å; L134-P136 WeakPolarHBondContact O-CG 3.38Å; P136-D138 PolarHBondContact O-N 3.15Å
137R44.6Very low40.6Very low237 Ų237120.2 Ų120.289%0.89470%0.701SS**  trans-85.395.9157.2-74.1-154.8139.191.44.5106.5A135 P139A135-R137 PolarHBondContact O-N 3.15Å; R137-P139 WeakPolarHBondContact O-CD 3.4Å
138D29.7Very low40.6Very low137 Ų137127.5 Ų127.573%0.73372%0.722SS**  trans-46115.5170.3-167.5-93000110.2P136P136-D138 PolarHBondContact O-N 3.15Å
139P45.1Very low39.5Very low112 Ų112131.1 Ų131.173%0.72773%0.73SS**  trans-95105.9167.730.9-18.7000109.1R137R137-P139 WeakPolarHBondContact O-CD 3.4Å
140D37Very low38.7Very low123 Ų123132.8 Ų132.866%0.65874%0.742SS**  trans55.696147.3-145.4-72.5000117.8Q142D140-Q142 WeakPolarHBondContact OD1-CB 3.28Å; D140-Q142 PolarHBondContact OD1-N 2.93Å
141L40.5Very low38.3Very low172 Ų172135.6 Ų135.690%0.90176%0.761SS**  trans-107.674.1145.6-110.496.9000109.5
142Q40.7Very low37.9Very low175 Ų175141 Ų14182%0.81878%0.778SS**  trans-104.196.6161.7-76.8-96.263.100110D140D140-Q142 WeakPolarHBondContact OD1-CB 3.28Å; D140-Q142 PolarHBondContact OD1-N 2.93Å
143G39.3Very low37Very low64 Ų64139.4 Ų139.466%0.6678%0.779SS**  trans-177.173.2170.200000114.6
144L31.7Very low36.7Very low175 Ų175136.8 Ų136.892%0.91677%0.774SS**  trans-165142137.4-124.2104000111.5
145P46.2Very low36.7Very low123 Ų123138.9 Ų138.980%0.79978%0.78SS**  trans-97.2135.6-167.535.3-30.6000115.6
146G35Very low37.1Very low73 Ų73140.9 Ų140.975%0.75379%0.788SS**  trans85.5164.1149.900000118.3
147P40.7Very low37Very low107 Ų107139 Ų13970%0.69578%0.783SS**  cis-126.1126.63.834.3-15.5000114.1K149P147-K149 PolarHBondContact O-N 3.24Å
148W45.1Very low36.6Very low254 Ų254139.1 Ų139.196%0.96278%0.784SS**  trans-75.4107.1166.171.5-62.8000109.7
149K29Very low36.8Very low168 Ų168136.9 Ų136.973%0.7378%0.784SS**  trans-162.897.8159.447.8143.1-177.9-73.10110.6P147P147-K149 PolarHBondContact O-N 3.24Å
150S29.9Very low36.2Very low112 Ų112140.1 Ų140.178%0.78379%0.794SS**  trans-179.7111.6133.941.40000111.4
151S31.4Very low35.9Very low118 Ų118137.3 Ų137.383%0.82580%0.795SS**  trans78.3102136.3-52.50000119.3
152Q33.1Very low35.6Very low192 Ų192135 Ų13590%0.89779%0.793SS**  trans-43.9167138.9-69.7169.222.100112.5
153S30.2Very low35.9Very low115 Ų115132.6 Ų132.680%0.80479%0.793SS**  trans99.2113.3172.2-143.80000111.4
154S36Very low35.6Very low100 Ų100133 Ų13370%0.69980%0.797SS**  cis-158.7137.223.4-52.10000109.5
155Q37.1Very low35.6Very low174 Ų174133.8 Ų133.881%0.81380%0.795SS**  trans-70.6153.7145.4-69-99.2-49.400107.7
156P41Very low35Very low103 Ų103133 Ų13367%0.66979%0.793SS**  -135.7115.111824.3-6.8000112
157A33.7Very low34.9Very low86 Ų86135.2 Ų135.271%0.71180%0.797SS**  trans-69.6127.1148.200000107.8
158W35.3Very low34.4Very low238 Ų238133.9 Ų133.990%0.90280%0.802SS**  trans-72.7137-178.5-76.192.5000112.6
159A33.8Very low33.8Very low90 Ų90124.9 Ų124.974%0.74479%0.788SS**  trans7291.614100000118.9
160L33.6Very low33.9Very low180 Ų180124.5 Ų124.594%0.94280%0.795SS**  trans-91.5134143.8-150.878.8000108
161G30.6Very low34.3Very low65 Ų65125.3 Ų125.367%0.6779%0.794SS**  trans-76178.6-176.100000116.5
162S34.8Very low34.3Very low122 Ų122126.7 Ų126.785%0.85379%0.792SS**  trans85.8155.9163.4-64.10000117.7
163P46.8Very low34.7Very low126 Ų126124.5 Ų124.582%0.81879%0.786SS**  cis-134.4167.8-17.131.1-10.5000115
164G33Very low34.7Very low73 Ų73126.9 Ų126.975%0.75378%0.784SS**  trans84.1103.913200000121.7
165H31.6Very low34.2Very low190 Ų190131.8 Ų131.888%0.8879%0.789SS**  trans61.2116.2132.5-102.7-117.2000123.1
166S33.2Very low34.8Very low108 Ų108129 Ų12976%0.75579%0.785SS**  99.9123.6121.7-147.30000120.2
167S33.5Very low34.5Very low119 Ų119131.2 Ų131.283%0.83279%0.786SS**  trans103.8104.4137.9-154.30000119
168G29.7Very low34.2Very low78 Ų78132.9 Ų132.980%0.80479%0.792SS**  99.5122.3118.600000119.2
169G31.2Very low34Very low65 Ų65127.1 Ų127.167%0.6779%0.787SS**  trans94.797.1153.200000115.1
170D32.3Very low33.9Very low161 Ų161126 Ų12686%0.86179%0.785SS**  84138.774.2-75-55.6000115
171V38.5Very low33.7Very low129 Ų129124 Ų12478%0.78278%0.78SS**  trans81.796.5163.4-172.80000116
172L32Very low34Very low147 Ų147132.4 Ų132.477%0.7779%0.791SS**  74.6101.870.5-169.6133.9000113.7
173L39.7Very low34.3Very low146 Ų146131.4 Ų131.476%0.76478%0.782SS**  trans-162.693.9142.1-117163.3000112.9
174Q31Very low33.7Very low164 Ų164132.9 Ų132.977%0.76678%0.782SS**  trans52.7108.8137-62.7-175.28400122.9
175Y26.2Very low33.7Very low204 Ų204133.2 Ų133.280%0.877%0.773SS**  5.4166.8117.1-96.8-105.5000120.3
176P49Very low33.7Very low114 Ų114132.6 Ų132.674%0.7477%0.77SS**  cis-144.4154.920.932.2-7.7000120.7
177H34.3Very low33.6Very low151 Ų151131 Ų13170%0.69977%0.771SS**  29.5132.7128.2-147-96.4000123.7
178C27.4Very low33.6Very low121 Ų121132.8 Ų132.882%0.81877%0.771SS**  trans175.3108.3136.9-85.70000109.1
179S31.8Very low33.9Very low116 Ų116133 Ų13381%0.81177%0.766SS**  80.8125.383.6-166.50000116.1
180G31.1Very low34Very low67 Ų67134.4 Ų134.469%0.69177%0.771SS**  trans93136.6160.800000115.1
181V30.2Very low34.2Very low139 Ų139130.2 Ų130.284%0.84277%0.765SS**  cis-162138.511.1-177.90000106.4
182R36.9Very low33.9Very low241 Ų241132.2 Ų132.291%0.90977%0.766SS**  trans-117.3147149.3-84.3-170.2-177.2177.32104.6
183P41.5Very low34Very low100 Ų100133.7 Ų133.765%0.64977%0.774SS**  -162.1175.771.741.1-19.3000118.4
184L32.9Very low33.6Very low158 Ų158133.3 Ų133.383%0.82778%0.777SS**  trans66.4153.1149.6-79.3150.6000116.7
185S32.8Very low33.5Very low79 Ų79133.8 Ų133.855%0.55277%0.772SS**  cis-168.8135.114.6-139.20000104.5
186Q33.2Very low33.8Very low178 Ų178129 Ų12983%0.83278%0.775SS**  100.9115.891.5176.9171.716.500114.8
187G30.4Very low32.9Very low75 Ų75126.2 Ų126.277%0.77377%0.767SS**  trans64.8160.8151.300000116.3
188D33.4Very low32.7Very low155 Ų155123.8 Ų123.883%0.82977%0.767SS**  cis-175.4148.4-11.8-172.5-93.9000103.4
189A35.9Very low32.8Very low84 Ų84126 Ų12669%0.69476%0.763SS**  trans63.9146.4163.100000122
190A33.1Very low33.2Very low94 Ų94126.8 Ų126.878%0.77777%0.765SS**  trans64.5111.7161.200000116.1
191G37.2Very low33.5Very low72 Ų72130.9 Ų130.974%0.74277%0.771SS**  73.474.161.700000109.2
192E31.7Very low33.4Very low171 Ų171135.8 Ų135.880%0.79977%0.774SS**  trans-142.5100.5170.7-82.4-76.484.700109.3V194E192-V194 PolarHBondContact O-N 3.48Å
193L35Very low33.3Very low178 Ų178133 Ų13393%0.93277%0.773SS**  trans-72.2106.7154.4-70.7151.7000106.3
194V31.3Very low33.1Very low138 Ų138131.3 Ų131.384%0.83677%0.774SS**  trans-101.6113.4169.697.50000110.4E192E192-V194 PolarHBondContact O-N 3.48Å
195W29Very low33.1Very low174 Ų174132.6 Ų132.666%0.65978%0.776SS**  trans-90.5120.7179.9-174.291.7000108.7G197 S198W195-G197 VanDerWaalsContact CE3-N 3.32Å; W195-G197 PolarHBondContact O-N 3.3Å; W195-S198 WeakPolarHBondContact CH2-O 3.49Å
196A31.8Very low33.4Very low103 Ų103137.4 Ų137.485%0.85179%0.792SS**  trans-84.997.8173.100000110.2
197G29.8Very low33.9Very low56 Ų56134.7 Ų134.758%0.57779%0.79SS**  trans54.4103.2139.100000119.8W195W195-G197 VanDerWaalsContact CE3-N 3.32Å; W195-G197 PolarHBondContact O-N 3.3Å
198S31Very low34.3Very low100 Ų100134.1 Ų134.170%0.69978%0.783SS**  trans-157.186.9141.7-79.10000109.6W195W195-S198 WeakPolarHBondContact CH2-O 3.49Å
199F29.9Very low34.7Very low169 Ų169135.6 Ų135.674%0.74179%0.791SS**  trans-99.3150.5155.8-77.3-80000108.1
200P39Very low34.7Very low131 Ų131137.4 Ų137.485%0.85180%0.798SS**  -128.6145.394.529.2-16.5000114.1
201L36.6Very low35.6Very low154 Ų154138.4 Ų138.481%0.80680%0.796SS**  trans-60.9145.3173.1-73.5153000113
202R29.7Very low35.6Very low242 Ų242144.4 Ų144.491%0.91383%0.827SS**  trans-147.692.6141.7-170.3165.3151.7147.2-6.4111.9
203M34.8Very low35.8Very low182 Ų182143.1 Ų143.190%0.89783%0.829SS**  trans23.1123.4138.2-148.275.3179.800119.8
204G36.1Very low35.8Very low65 Ų65141.3 Ų141.367%0.6782%0.823SS**  trans140.290.714900000114.3
205Q33.6Very low36.1Very low185 Ų185141.4 Ų141.486%0.86482%0.823SS**  172.9111.8127.7-144.396.6-3700109.6
206M39Very low36.5Very low179 Ų179139.5 Ų139.588%0.88283%0.832SS**  trans-89.6143.3147.6-76.2-93.2-169.800105.9
207P43.3Very low36.8Very low122 Ų122141.8 Ų141.879%0.79283%0.831SS**  -147.7134.398.931.9-12.8000115.1
208G39.4Very low37.3Very low62 Ų62147.5 Ų147.564%0.63985%0.848SS**  69.1110.3127.100000119.2
209L40.8Very low37.7Very low187 Ų187150.9 Ų150.998%0.97986%0.859SS**  trans-140.1127.2131.3-76.2-179.3000109.4
210S35.8Very low38.3Very low122 Ų122149.5 Ų149.585%0.85387%0.868SS**  trans-76170-174.7-100.50000113.6
211P51.8Low38.3Very low114 Ų114151.1 Ų151.174%0.7487%0.869SS**  trans-96.9163.9-156.338.3-34.1000114.1
212S38.3Very low38.4Very low199 Ų199150.8 Ų150.8100%1.39288%0.875SS**  trans-147.20146.5-69.20000108.6

Retrieved 212 of 212 residues in 169.2 ms (Link to these results)