A0A087Y2R7_POEFO Loading...

Protein sel-1 homolog 1

Plays a role in the endoplasmic reticulum quality control (ERQC) system also called ER-associated degradation (ERAD) involved in ubiquitin-dependent degradation of misfolded endoplasmic reticulum proteins. Enhances SYVN1 stability. Plays a role in LPL maturation and secretion. Required for normal differentiation of the pancreas epithelium, and for normal exocrine function and survival of pancreatic cells. May play a role in Notch signaling.

AlphaFold DB , UniProt , Accession A0A087Y2R7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 826 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
1M31.7Very low32.1Very low237 Ų237146 Ų146100%1.16784%0.838SS**  0135.20-96.7174.8170.200108.4
2V29.9Very low32.3Very low141 Ų141150.8 Ų150.886%0.85584%0.842SS**  trans61.9104155.3-171.70000118.6
3S29.9Very low32.8Very low108 Ų108145.9 Ų145.976%0.75585%0.847SS**  trans-85174.5138.2-40.80000108.7
4P55.1Low33.1Very low108 Ų108139.7 Ų139.770%0.70183%0.83SS**  cis-136.2-173.5-0.742.1-24.7000113.8
5L27.3Very low33.5Very low165 Ų165139.9 Ų139.986%0.86482%0.824SS**  -178.6167126.2-99.6162.4000113.3
6T29.2Very low34.1Very low125 Ų125142.2 Ų142.277%0.76782%0.82SS**  trans-120.1175.8-156.244.10000114.6
7S29Very low34.7Very low104 Ų104139.9 Ų139.973%0.72781%0.809SS**  trans84.5139.3163.9-133.90000116.3
8T30.1Very low35Very low118 Ų118135.9 Ų135.972%0.72480%0.796SS**  cis-159.9151.5-1.1-9.10000112.3
9M31.4Very low35.4Very low189 Ų189136.7 Ų136.793%0.93179%0.789SS**  trans37.7126.4151.1-81.1179.1155.200122.8
10G26Very low35.8Very low80 Ų80139.7 Ų139.783%0.82579%0.786SS**  trans-173.198.316100000113.2
11Y33.3Very low36.1Very low231 Ų231139.4 Ų139.491%0.90678%0.782SS**  trans-56.8132.9-178.7-109.8-108.4000113.9
12K34.9Very low36.6Very low204 Ų204136 Ų13689%0.88776%0.757SS**  trans17169.6138.6-93.9164.1-176-179.10112.3
13G38.2Very low37.2Very low87 Ų87136 Ų13690%0.89775%0.746SS**  trans-81.5131159.700000109.7
14G38.1Very low38Very low59 Ų59135.1 Ų135.161%0.60874%0.736SS**SBendtrans156.5-26.217900000115.1
15L38.6Very low37.4Very low142 Ų142132.2 Ų132.274%0.74372%0.721SS**SBendtrans-98.63.4-174.9-129.677.2000115.6
16K42.6Very low38.4Very low177 Ų177128.1 Ų128.177%0.7770%0.699SS**SBendtrans-101.8-23.9-172.9-75.1-173.9176.6179.80115.1
17T45.2Very low39.1Very low103 Ų103126.6 Ų126.663%0.63269%0.686SS**Hα-helixtrans-78-48.5178.5400000111.6K19 R20 L21T17-K19 VanDerWaalsContact C-N 3.28Å; T17-K19 PolarHBondContact O-N 3.31Å; T17-R20 PolarHBondContact O-N 3.1Å; T17-L21 PolarHBondContact O-N 2.82Å
18A39.5Very low39.6Very low68 Ų68127.5 Ų127.556%0.56268%0.682SS**Hα-helixtrans-55.1-41.8174.700000112.5R20 L21 Y22A18-R20 VanDerWaalsContact C-N 3.29Å; A18-R20 PolarHBondContact O-N 2.95Å; A18-L21 PolarHBondContact O-N 3.48Å; A18-Y22 WeakPolarHBondContact O-CB 3.45Å; A18-Y22 PolarHBondContact O-N 2.94Å
19K42.8Very low40.2Very low152 Ų152127.2 Ų127.266%0.66168%0.675SS**Hα-helixtrans-65.4-23.9176-87.2-170171.2-171.90114.6T17 F23T17-K19 VanDerWaalsContact C-N 3.28Å; T17-K19 PolarHBondContact O-N 3.31Å; K19-F23 WeakPolarHBondContact O-CB 3.38Å; K19-F23 PolarHBondContact O-N 3.1Å
20R43.8Very low40.9Very low196 Ų196122 Ų12274%0.7465%0.654SS**Hα-helixtrans-82.5-42.5176.8-77.6-179.2170.2-174.4-5112T17 A18 Y22 F23 V24T17-R20 PolarHBondContact O-N 3.1Å; A18-R20 VanDerWaalsContact C-N 3.29Å; A18-R20 PolarHBondContact O-N 2.95Å; R20-Y22 VanDerWaalsContact C-N 3.34Å; R20-Y22 PolarHBondContact O-N 2.84Å; R20-F23 WeakPolarHBondContact O-CB 3.43Å; R20-F23 PolarHBondContact O-N 3.18Å; R20-V24 WeakPolarHBondContact O-CG2 3.46Å; R20-V24 PolarHBondContact O-N 3.14Å
21L40.9Very low41.6Very low134 Ų134125.2 Ų125.270%0.70265%0.646SS**Hα-helixtrans-61.5-41.7172.5-86.7151.1000111.9T17 A18 F23 V24 A25T17-L21 PolarHBondContact O-N 2.82Å; A18-L21 PolarHBondContact O-N 3.48Å; L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 2.88Å; L21-V24 PolarHBondContact O-N 3.34Å; L21-A25 WeakPolarHBondContact O-CB 3.49Å; L21-A25 PolarHBondContact O-N 3.3Å
22Y42Very low41.9Very low166 Ų166116.8 Ų116.865%0.65162%0.624SS**Hα-helixtrans-64.6-34.2174.8-147.9-102.8000112.4A18 R20 I26A18-Y22 WeakPolarHBondContact O-CB 3.45Å; A18-Y22 PolarHBondContact O-N 2.94Å; R20-Y22 VanDerWaalsContact C-N 3.34Å; R20-Y22 PolarHBondContact O-N 2.84Å; Y22-I26 HydrophobicContact CD1-CD1 3.58Å; Y22-I26 HydrophobicContact CD1-CG1 4.35Å; Y22-I26 HydrophobicContact CE1-CD1 3.76Å; Y22-I26 HydrophobicContact CE1-CG1 4.49Å; Y22-I26 WeakPolarHBondContact O-CB 3.43Å; Y22-I26 VanDerWaalsContact O-CG1 3.27Å; Y22-I26 WeakPolarHBondContact O-CG1 3.4Å; Y22-I26 PolarHBondContact O-N 3.5Å
23F43.5Very low42Very low140 Ų140112.6 Ų112.661%0.61461%0.611SS**Hα-helixtrans-68.8-39.1175.1-134.7-92.8000112.6K19 R20 L21 I26 L27K19-F23 WeakPolarHBondContact O-CB 3.38Å; K19-F23 PolarHBondContact O-N 3.1Å; R20-F23 WeakPolarHBondContact O-CB 3.43Å; R20-F23 PolarHBondContact O-N 3.18Å; L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 2.88Å; F23-I26 PolarHBondContact O-N 2.86Å; F23-L27 HydrophobicContact CD1-CD1 4.15Å; F23-L27 HydrophobicContact CE1-CD1 4.4Å; F23-L27 WeakPolarHBondContact O-CB 3.34Å; F23-L27 PolarHBondContact O-N 2.81Å
24V47Very low42.1Very low89 Ų89118.2 Ų118.254%0.53961%0.605SS.*Hα-helixtrans-68.5-40.4176.5173.30000111.1R20 L21 L27 L28R20-V24 WeakPolarHBondContact O-CG2 3.46Å; R20-V24 PolarHBondContact O-N 3.14Å; L21-V24 PolarHBondContact O-N 3.34Å; V24-L27 PolarHBondContact O-N 3.16Å; V24-L28 HydrophobicContact CG1-CD1 4.26Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 2.75Å
25A41.4Very low42.4Very low48 Ų48122.9 Ų122.940%0.39762%0.616SS.*Hα-helixtrans-64.1-41.4173.900000112.4L21 L28 L29L21-A25 WeakPolarHBondContact O-CB 3.49Å; L21-A25 PolarHBondContact O-N 3.3Å; A25-L28 PolarHBondContact O-N 3.21Å; A25-L29 WeakPolarHBondContact O-CG 3.45Å; A25-L29 PolarHBondContact O-N 2.99Å
26I49.7Very low42.3Very low79 Ų79120.4 Ų120.441%0.40562%0.615SS.*Hα-helixtrans-65-39.5173-71.8168.7000111.1Y22 F23 L28 L29 V30Y22-I26 HydrophobicContact CD1-CD1 3.58Å; Y22-I26 HydrophobicContact CD1-CG1 4.35Å; Y22-I26 HydrophobicContact CE1-CD1 3.76Å; Y22-I26 HydrophobicContact CE1-CG1 4.49Å; Y22-I26 WeakPolarHBondContact O-CB 3.43Å; Y22-I26 VanDerWaalsContact O-CG1 3.27Å; Y22-I26 WeakPolarHBondContact O-CG1 3.4Å; Y22-I26 PolarHBondContact O-N 3.5Å; F23-I26 PolarHBondContact O-N 2.86Å; I26-L28 VanDerWaalsContact C-N 3.34Å; I26-L28 PolarHBondContact O-N 3.17Å; I26-L29 PolarHBondContact O-N 2.85Å; I26-V30 HydrophobicContact CG2-CG2 4.15Å; I26-V30 WeakPolarHBondContact O-CB 3.29Å; I26-V30 VanDerWaalsContact O-CG2 3.28Å; I26-V30 WeakPolarHBondContact O-CG2 3.37Å; I26-V30 PolarHBondContact O-N 3.43Å
27L42.5Very low42Very low92 Ų92115.6 Ų115.648%0.48261%0.608SS.*Hα-helixtrans-64.5-39.1177.9-127.1123.9000112.1F23 V24 F31F23-L27 HydrophobicContact CD1-CD1 4.15Å; F23-L27 HydrophobicContact CE1-CD1 4.4Å; F23-L27 WeakPolarHBondContact O-CB 3.34Å; F23-L27 PolarHBondContact O-N 2.81Å; V24-L27 PolarHBondContact O-N 3.16Å; L27-F31 HydrophobicContact CD2-CD2 4.24Å; L27-F31 HydrophobicContact CD2-CE2 4.13Å; L27-F31 WeakPolarHBondContact O-CB 3.01Å; L27-F31 WeakPolarHBondContact O-CD2 3.42Å; L27-F31 PolarHBondContact O-N 3.11Å
28L40.9Very low41.6Very low124 Ų124118.4 Ų118.465%0.64962%0.62SS**Hα-helixtrans-68.6-35.8175.2-73.6167.5000112.6V24 A25 I26 A32V24-L28 HydrophobicContact CG1-CD1 4.26Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 2.75Å; A25-L28 PolarHBondContact O-N 3.21Å; I26-L28 VanDerWaalsContact C-N 3.34Å; I26-L28 PolarHBondContact O-N 3.17Å; L28-A32 PolarHBondContact O-N 3.17Å; L28-A32 VanDerWaalsContact O-N 3.12Å
29L41.5Very low41.6Very low111 Ų111124 Ų12458%0.58163%0.634SS**Hα-helixtrans-70.9-40.7174-73.2167.5000112.4A25 I26 F31 A32 D33A25-L29 WeakPolarHBondContact O-CG 3.45Å; A25-L29 PolarHBondContact O-N 2.99Å; I26-L29 PolarHBondContact O-N 2.85Å; L29-F31 VanDerWaalsContact C-N 3.26Å; L29-F31 PolarHBondContact O-N 2.95Å; L29-A32 PolarHBondContact O-N 3.05Å; L29-D33 PolarHBondContact O-N 2.61Å
30V47Very low41.4Very low81 Ų81124.4 Ų124.449%0.49164%0.644SS.*Hα-helixtrans-66.5-27.9175.2170.70000112.2I26 R34I26-V30 HydrophobicContact CG2-CG2 4.15Å; I26-V30 WeakPolarHBondContact O-CB 3.29Å; I26-V30 VanDerWaalsContact O-CG2 3.28Å; I26-V30 WeakPolarHBondContact O-CG2 3.37Å; I26-V30 PolarHBondContact O-N 3.43Å; V30-R34 PolarHBondContact O-N 3.21Å
31F40.1Very low40.7Very low146 Ų146123.6 Ų123.664%0.6465%0.648SS**Hα-helixtrans-74.7-28.7169.6-101.4-89.4000113.3L27 L29L27-F31 HydrophobicContact CD2-CD2 4.24Å; L27-F31 HydrophobicContact CD2-CE2 4.13Å; L27-F31 WeakPolarHBondContact O-CB 3.01Å; L27-F31 WeakPolarHBondContact O-CD2 3.42Å; L27-F31 PolarHBondContact O-N 3.11Å; L29-F31 VanDerWaalsContact C-N 3.26Å; L29-F31 PolarHBondContact O-N 2.95Å
32A39.4Very low40.2Very low54 Ų54126.8 Ų126.845%0.44666%0.659SS.*Hα-helixtrans-77-45.5176.100000112.1L28 L29 R34 L35L28-A32 PolarHBondContact O-N 3.17Å; L28-A32 VanDerWaalsContact O-N 3.12Å; L29-A32 PolarHBondContact O-N 3.05Å; A32-R34 VanDerWaalsContact C-N 3.26Å; A32-R34 PolarHBondContact O-N 2.95Å; A32-L35 PolarHBondContact O-N 3.35Å; A32-L35 VanDerWaalsContact O-N 3.08Å
33D37.2Very low39.6Very low117 Ų117129.9 Ų129.963%0.62667%0.67SS**Hα-helixtrans-63.9-30.5178.5-77.8-22.8000112.4L29 L35 A36 A37L29-D33 PolarHBondContact O-N 2.61Å; D33-L35 VanDerWaalsContact C-N 3.25Å; D33-L35 PolarHBondContact O-N 2.95Å; D33-A36 PolarHBondContact O-N 2.02Å; D33-A37 WeakPolarHBondContact O-CB 3.27Å
34R39.8Very low39Very low204 Ų204130.1 Ų130.177%0.7768%0.677SS**THydrogen-bonded Turntrans-70.7-13.9174.4-95.7-171.5170.7-162-5.6115V30 A32V30-R34 PolarHBondContact O-N 3.21Å; A32-R34 VanDerWaalsContact C-N 3.26Å; A32-R34 PolarHBondContact O-N 2.95Å
35L44.4Very low38.1Very low158 Ų158134.2 Ų134.283%0.82770%0.696SS**THydrogen-bonded Turntrans-90.8-0.6174-74.2167000112.9A32 D33A32-L35 PolarHBondContact O-N 3.35Å; A32-L35 VanDerWaalsContact O-N 3.08Å; D33-L35 VanDerWaalsContact C-N 3.25Å; D33-L35 PolarHBondContact O-N 2.95Å
36A37.4Very low37.5Very low89 Ų89135.3 Ų135.374%0.73671%0.712SS**SBendtrans-123.710.9-177.200000113.7D33D33-A36 PolarHBondContact O-N 2.02Å
37A36.1Very low36.5Very low76 Ų76136.7 Ų136.763%0.62873%0.729SS**SBendtrans-13220.3-16800000115D33D33-A37 WeakPolarHBondContact O-CB 3.27Å
38D35.9Very low35.8Very low162 Ų162140.7 Ų140.787%0.86675%0.745SS**SBendtrans-115.912.5174.4-105.3-17.1000113.2
39E39.4Very low35.1Very low187 Ų187142 Ų14287%0.87475%0.752SS**SBendtrans-108.569.9162.6-75-168.8129.200110
40D38.6Very low34.4Very low160 Ų160144.9 Ų144.986%0.85676%0.759SS**SBendtrans175.861.4151.1-99.8-22.9000113
41Q31Very low33.4Very low179 Ų179146.5 Ų146.584%0.83678%0.775SS**  trans-153.771.6165.4-149.6129.34700115.8
42H30.3Very low32.7Very low200 Ų200150.2 Ų150.293%0.92679%0.786SS**  trans-16997.5136.7-97.1-43.5000111.9
43R29.1Very low32Very low231 Ų231155.6 Ų155.687%0.87280%0.802SS**  trans-145.8139.8158.3-149.3172.2-171.4158.44.1109.1
44D30.2Very low31.7Very low145 Ų145156.8 Ų156.878%0.77581%0.808SS**  trans57.9103.3177-58.6-18.6000118.1
45D27.6Very low32Very low176 Ų176151.4 Ų151.494%0.94180%0.799SS**  trans-130.792.1133.1-122.2-19.9000107.4
46G29.7Very low31.1Very low70 Ų70151 Ų15172%0.72280%0.798SS**  trans-135.991.4-17300000112.1
47S27.8Very low30.6Very low108 Ų108151.2 Ų151.276%0.75579%0.794SS**  trans-179.2150.6164.948.10000107.7
48E28.5Very low30.1Very low176 Ų176154.6 Ų154.682%0.82280%0.802SS**  cis-164.3140.2-9.2-113.1-179.3177.200105.1
49L26.2Very low29.6Very low152 Ų152155.3 Ų155.380%0.79680%0.8SS**  trans-159.1100.8146.4-137.772.4000114.8
50K26.5Very low29Very low171 Ų171155.8 Ų155.874%0.74380%0.802SS**  trans60.1100.6144.2-65.7173.3-175.2172.60119
51S25.8Very low28.3Very low116 Ų116155.3 Ų155.381%0.81180%0.8SS**  trans-71156.5133.658.20000110.7
52Y25Very low28.1Very low223 Ų223153.4 Ų153.488%0.87580%0.8SS**  trans-146.6149.2165.4-133.6-93.2000108.7
53H24.9Very low27.9Very low168 Ų168152 Ų15278%0.77879%0.793SS**  trans-62.3143.2-175.3-91.1-75.1000114.4
54D31.6Very low27.6Very low141 Ų141149 Ų14975%0.75479%0.793SS**  21.8161104.3-102-12.6000119.6
55P45.8Very low27.4Very low91 Ų91147.9 Ų147.959%0.59179%0.791SS**  cis-141-154.17.433.2-7.5000114.2
56D25.5Very low27.2Very low150 Ų150144.9 Ų144.980%0.80278%0.784SS**  trans76.4139.7155.8-59.4-18.7000118.1
57S27Very low27.1Very low94 Ų94152.5 Ų152.566%0.65779%0.791SS**  cis-154.6-176.1-8.763.10000108.1
58D26.1Very low26.9Very low146 Ų146154.8 Ų154.878%0.78179%0.793SS**  cis-150.2176.714.3-112.1-52.6000110.6
59E26.1Very low26.8Very low177 Ų177153.8 Ų153.883%0.82779%0.793SS**  trans-86.1163.2177.9-56.8169.3141.200113.9
60E25.4Very low26.7Very low197 Ų197150.9 Ų150.992%0.92179%0.79SS**  -162.8122.7119.3-114.1-177.5-172.200112.4
61D24.6Very low26.6Very low151 Ų151147.3 Ų147.381%0.80779%0.792SS**  trans-72.3161167.2-89.3-46.1000111.9
62V25.7Very low26.5Very low139 Ų139146 Ų14684%0.84279%0.789SS**  trans-168.1130.5130.3143.50000111.4
63H25.9Very low26.6Very low169 Ų169141 Ų14178%0.78279%0.786SS**  trans-65.9156.2169.6-88.9-74.1000113.8
64I24.5Very low26.6Very low170 Ų170137.9 Ų137.987%0.87279%0.79SS**  -158.7151.3129.6-102.4148.7000111.7
65V25Very low26.3Very low120 Ų120135.6 Ų135.673%0.72779%0.791SS**  trans-105.5141.8-173.11740000110.7
66S23.1Very low26.2Very low114 Ų114136.5 Ų136.580%0.79780%0.796SS**  160.8154.5125.753.90000115.7
67R27.1Very low26.2Very low230 Ų230140.6 Ų140.687%0.86880%0.801SS**  trans-77.6160.2168.5-61.7164.7165.1165-6.9110.6
68I24.6Very low26.3Very low155 Ų155142 Ų14280%0.79581%0.805SS**  172134118.3-91.1161.5000114.9
69L25.6Very low26.3Very low156 Ų156142.5 Ų142.582%0.81781%0.807SS**  trans38.9115.2151.5-65.6167.4000124.4
70A24.3Very low26.4Very low91 Ų91137.1 Ų137.175%0.75280%0.8SS**  72.3147.8109.500000124.8
71A24.1Very low26.5Very low95 Ų95132.8 Ų132.879%0.78579%0.791SS**  trans96.9107.1143.400000121.4
72A24.9Very low26.8Very low89 Ų89134.1 Ų134.174%0.73679%0.793SS**  68.2106.7118.500000122
73S26.3Very low26.9Very low117 Ų117133.7 Ų133.782%0.81879%0.791SS**  41.6127.6124.366.30000122.2
74A24.9Very low27Very low104 Ų104135.1 Ų135.186%0.8680%0.797SS**  -163.1146.6121.400000112.3
75A25.9Very low27.1Very low93 Ų93135.3 Ų135.377%0.76980%0.795SS**  trans-88.7-155.3172.100000109.5
76P44.4Very low27.3Very low109 Ų109136.8 Ų136.871%0.70879%0.794SS**  cis-143.9175.7-0.142.9-24000117.5
77R25Very low27.5Very low237 Ų237138.8 Ų138.889%0.89479%0.788SS**  trans172.9129.5139-94.4156.8178.9174.6-0.4108.9
78V28.8Very low27.5Very low124 Ų124136.2 Ų136.275%0.75279%0.791SS**  cis74.5120.138.5-1780000111.1
79D26.2Very low27.6Very low155 Ų155133.8 Ų133.883%0.82979%0.788SS**  cis-162.4167.10.2-135.8-30.6000113
80G27.5Very low27.7Very low65 Ų65134.4 Ų134.467%0.6779%0.791SS**  trans76.6144.6153.700000120.3
81S28.9Very low27.8Very low105 Ų105141.9 Ų141.973%0.73480%0.799SS**  cis-168.8135.5-1.556.10000114.5
82Q29.9Very low28.2Very low179 Ų179146.1 Ų146.184%0.83680%0.803SS**  trans67.3143.5144.4-64.3-178.4-11.100120
83T27.9Very low28.3Very low131 Ų131148.9 Ų148.980%0.80481%0.811SS**  cis-158.31541.63.70000111
84E27.4Very low28.7Very low198 Ų198152.5 Ų152.593%0.92582%0.815SS**  trans-118173.6175.3-85.1-169.3154.500113.7
85E27.8Very low28.9Very low175 Ų175157 Ų15782%0.81882%0.818SS**  trans-87.8163.5-172.8-57.8179.8123.900115.5
86E28.3Very low29.2Very low150 Ų150161.9 Ų161.970%0.70182%0.822SS**  trans56.3156153.1-73-163.3143.700119.5
87K28.3Very low28.6Very low157 Ų157165.2 Ų165.268%0.68383%0.828SS**  cis-158.5150.56.8-132.8162.5-173.3133.90107.7
88L25.7Very low28.9Very low176 Ų176162.9 Ų162.992%0.92183%0.827SS**  trans-153.5165.7156.2-140.873.9000113.8
89S27.2Very low29.5Very low104 Ų104164.4 Ų164.473%0.72783%0.831SS**  trans-83.2156.3-151.553.50000118.1
90L27.2Very low30Very low168 Ų168162.9 Ų162.988%0.8883%0.829SS**  trans-43.2145164.9-69.7145.7000115.3
91R27.9Very low30.4Very low249 Ų249168.5 Ų168.594%0.9484%0.838SS**  trans-150.1132.8147.8-140.3175.6-170171.23.2109.9
92E32.3Very low30.9Very low184 Ų184172.4 Ų172.486%0.8684%0.844SS**  trans-78.3145.8-177.8-60164.1134.200111.8
93T25.8Very low31.3Very low147 Ų147169.4 Ų169.490%0.90284%0.841SS**  trans-161.2139.2140.913.10000108.6
94E34.4Very low32.3Very low192 Ų192168.8 Ų168.890%0.89784%0.839SS**  trans-79.9143.5-179.1-56.3171.4110.800111.4
95E29.7Very low33Very low200 Ų200164.9 Ų164.994%0.93583%0.83SS**  trans-156.7143.5143.8-117.8164.9-162.200110.1
96K33.1Very low33.8Very low195 Ų195162 Ų16285%0.84883%0.827SS**  trans-97.6143.2176.3-67.3170.9176.2171.70108.6
97E30.4Very low34.7Very low179 Ų179160.1 Ų160.184%0.83683%0.828SS**  -176.9140.3122-101168.9177.900114.4
98E31.3Very low35.5Very low187 Ų187158.6 Ų158.687%0.87483%0.834SS**  trans56.7149.5150.1-59.5-165.2147.700124.6
99L41.6Very low36.4Very low157 Ų157159.1 Ų159.182%0.82283%0.832SS**  trans-100.2152.6-171.4-152.986.1000110.5
100P36.5Very low37.2Very low123 Ų123163 Ų16380%0.79984%0.838SS**  trans-121.5150.5143.76.214.8000112.9
101E37.1Very low37.7Very low183 Ų183164.2 Ų164.286%0.85584%0.837SS**PPolyproline II helixtrans-70.2152.3-173.7-63.4168.7120.600113.9
102Q38.9Very low38.1Very low186 Ų186158 Ų15887%0.86983%0.828SS**PPolyproline II helixtrans-74.7135.1170.9-67.3176.5-20.300111
103P38.8Very low38.6Very low117 Ų117158.5 Ų158.576%0.7683%0.827SS**PPolyproline II helixtrans-71.7149.516331.1-32.6000110.4
104P48.2Very low40Very low117 Ų117159.5 Ų159.576%0.7682%0.822SS**PPolyproline II helixtrans-69154.3-176.129.2-35.8000112.5
105P42.9Very low41Very low116 Ų116154.1 Ų154.175%0.75380%0.802SS**PPolyproline II helixtrans-66.1148.3179.728.2-35.1000112
106P44.7Very low42.4Very low115 Ų115146.2 Ų146.275%0.74777%0.768SS**PPolyproline II helixtrans-64.7159171.229.5-34.6000111.2
107P46.8Very low43.5Very low110 Ų110140.2 Ų140.271%0.71475%0.748SS**PPolyproline II helixtrans-61.3154.5175.228.7-35.7000110.9E109P107-E109 PolarHBondContact O-N 2.94Å
108P45.8Very low45Very low125 Ų125131.9 Ų131.981%0.81271%0.709SS**PPolyproline II helixtrans-60.7127.6-178.926-34.2000110.5E110P108-E110 PolarHBondContact O-N 3.24Å
109E43.2Very low46.4Very low188 Ų188127 Ų12788%0.87969%0.689SS**PPolyproline II helixtrans-61.4121167.2-67.5-179.514400108.4P107 K111P107-E109 PolarHBondContact O-N 2.94Å; E109-K111 PolarHBondContact O-N 2.88Å
110E43.7Very low47.5Very low185 Ų185121.8 Ų121.886%0.86467%0.673SS**PPolyproline II helixtrans-60.8120.1163.9-72.7-173.6144.300107.3P108P108-E110 PolarHBondContact O-N 3.24Å
111K38.8Very low49.1Very low194 Ų194117.6 Ų117.684%0.84365%0.652SS**PPolyproline II helixtrans-51.1129.7174.2-74.3-177.6171.5-172.30108.5E109 K113E109-K111 PolarHBondContact O-N 2.88Å; K111-K113 PolarHBondContact O-N 3.06Å
112P36.4Very low50.9Low117 Ų117112.3 Ų112.376%0.7663%0.632SS**PPolyproline II helixtrans-58.2127.3175.424.6-32.8000108.5E114P112-E114 PolarHBondContact O-N 3.26Å
113K43.3Very low52.3Low195 Ų195103.6 Ų103.685%0.84859%0.592SS**  trans-60.4113175.9-72.8-171.2172.3-165.40108.7K111K111-K113 PolarHBondContact O-N 3.06Å
114E53.8Low53.7Low168 Ų168107 Ų10779%0.78560%0.597SS**PPolyproline II helixtrans-64.3137.5178.6-67.3179.8173.900109.8P112 P116P112-E114 PolarHBondContact O-N 3.26Å; E114-P116 WeakPolarHBondContact O-CD 3.33Å
115V56.3Low54.6Low79 Ų79103.6 Ų103.648%0.47958%0.584SS.*PPolyproline II helixtrans-71123.2-177.8-178.50000108.1V117 C128 F130V115-V117 PolarHBondContact O-N 3.25Å; V115-C128 HydrophobicContact CG1-CB 4.01Å; V115-C128 WeakPolarHBondContact CG1-O 3.4Å; V115-F130 HydrophobicContact CG1-CE2 4.37Å
116P58.1Low56.2Low35 Ų35101.7 Ų101.723%0.22757%0.565CS.*PPolyproline II helixtrans-55.7127.3-177.716.1-29.5000111.7E114 C128 F130 C169E114-P116 WeakPolarHBondContact O-CD 3.33Å; P116-C128 PolarHBondContact O-SG 2.86Å; P116-F130 HydrophobicContact CG-CE2 3.86Å; P116-F130 HydrophobicContact CG-CZ 4.12Å; P116-C169 HydrophobicContact CB-CB 4.39Å
117V58Low57.8Low69 Ų69100.2 Ų100.242%0.41856%0.555SS.*PPolyproline II helixtrans-70.5139.1177178.90000109.1V115V115-V117 PolarHBondContact O-N 3.25Å
118V60.7Low59.4Low4 Ų495.4 Ų95.42%0.02452%0.524CS..EExtended strand (participates in β ladder)trans-104.9107.2-164.9-178.50000110.7E126 C128 T156 F168V118-E126 VanDerWaalsContact CB-O 3.27Å; V118-E126 WeakPolarHBondContact CB-O 3.28Å; V118-E126 WeakPolarHBondContact CG2-O 3.33Å; V118-C128 HydrophobicContact CG2-CB 4.3Å; V118-C128 VanDerWaalsContact CG2-N 3.34Å; V118-C128 WeakPolarHBondContact CG2-SG 3.49Å; V118-T156 HydrophobicContact CG1-CG2 4.33Å; V118-F168 WeakPolarHBondContact CA-O 3.44Å
119N61.1Low61.1Low85 Ų8592.3 Ų92.346%0.45550%0.503SS..EExtended strand (participates in β ladder)trans-94.7125.7178.5-75.3-25.9000111.7F168 E170N119-F168 PolarHBondContact N-O 3.44Å; N119-F168 VanDerWaalsContact N-O 3.13Å; N119-F168 WeakPolarHBondContact O-CB 3.39Å; N119-F168 WeakPolarHBondContact O-CD2 3.42Å; N119-F168 PolarHBondContact O-N 2.98Å; N119-E170 PolarHBondContact ND2-OE1 3.48Å
120G64.8Low63Low47 Ų4786.3 Ų86.349%0.48547%0.474SS..SBendtrans65.6-167.7176.400000114.4G167G120-G167 WeakPolarHBondContact O-CA 3.4Å
121G70.2Confident65Low35 Ų3580.2 Ų80.236%0.36145%0.451SS..SBendtrans89.4-156.7-174.100000113.6W166G121-W166 CarbonylContact C-O 3.54Å; G121-W166 WeakPolarHBondContact CA-O 3.48Å
122T75Confident67.3Low71 Ų7171 Ų7144%0.43641%0.41SS..SBendtrans-93.1-7.2-174.148.80000113.6K164 K165 W166T122-K164 PolarHBondContact OG1-O 2.81Å; T122-K165 WeakPolarHBondContact OG1-CA 3.49Å; T122-W166 PolarHBondContact N-O 2.03Å; T122-W166 PolarHBondContact OG1-N 3.16Å; T122-W166 VanDerWaalsContact OG1-N 3.09Å; T122-W166 PolarHBondContact OG1-NE1 2.73Å
123S66.9Low69.6Low3 Ų369.6 Ų69.62%0.02139%0.391CS..SBendtrans-96.80.5-173.262.70000115.4G125 E126 T156 W166S123-G125 PolarHBondContact O-N 3.45Å; S123-E126 WeakPolarHBondContact O-CG 3.3Å; S123-E126 PolarHBondContact O-N 3.22Å; S123-E126 VanDerWaalsContact O-N 3.16Å; S123-T156 VanDerWaalsContact CB-OG1 3.29Å; S123-T156 WeakPolarHBondContact CB-OG1 3.46Å; S123-T156 WeakPolarHBondContact OG-CG2 3.18Å; S123-W166 PolarHBondContact N-O 3.48Å; S123-W166 PolarHBondContact OG-O 3.25Å
124H68.8Low71.7Confident188 Ų18860.7 Ų60.787%0.8735%0.352SS*.THydrogen-bonded Turntrans51.926.7179-65.7-71.6000115.9
125G67.8Low73Confident47 Ų4759.1 Ų59.149%0.48534%0.344SS..THydrogen-bonded Turntrans95.711.4178.100000115.6S123S123-G125 PolarHBondContact O-N 3.45Å
126E76.4Confident74.3Confident76 Ų7657.7 Ų57.736%0.35535%0.346SS..PPolyproline II helixtrans-59.1141.8165.1-67.5168.8169.900110.5V118 S123 T156 K165V118-E126 VanDerWaalsContact CB-O 3.27Å; V118-E126 WeakPolarHBondContact CB-O 3.28Å; V118-E126 WeakPolarHBondContact CG2-O 3.33Å; S123-E126 WeakPolarHBondContact O-CG 3.3Å; S123-E126 PolarHBondContact O-N 3.22Å; S123-E126 VanDerWaalsContact O-N 3.16Å; E126-T156 HydrophobicContact CB-CG2 4Å; E126-T156 WeakPolarHBondContact O-CG2 3.32Å; E126-T156 PolarHBondContact OE2-OG1 3.2Å; E126-K165 IonicContact OE1-NZ 2.94Å; E126-K165 PolarHBondContact OE1-NZ 3.4Å; E126-K165 IonicContact OE2-NZ 3.76Å; E126-K165 PolarHBondContact OE2-NZ 2.88Å
127P77.6Confident75.5Confident83 Ų8361.9 Ų61.954%0.53936%0.36SS..PPolyproline II helixtrans-69.4159.3-178.729-35.7000112.9T156P127-T156 WeakPolarHBondContact O-CA 3.39Å; P127-T156 WeakPolarHBondContact O-CB 3.4Å; P127-T156 WeakPolarHBondContact O-CG2 3.22Å
128C79.9Confident76.9Confident9 Ų964 Ų646%0.06137%0.366CS..PPolyproline II helixtrans-60.4142.1172.6-60.70000111.3V115 P116 V118 F130 C154V115-C128 HydrophobicContact CG1-CB 4.01Å; V115-C128 WeakPolarHBondContact CG1-O 3.4Å; P116-C128 PolarHBondContact O-SG 2.86Å; V118-C128 HydrophobicContact CG2-CB 4.3Å; V118-C128 VanDerWaalsContact CG2-N 3.34Å; V118-C128 WeakPolarHBondContact CG2-SG 3.49Å; C128-F130 HydrophobicContact CB-CD2 4.02Å; C128-F130 HydrophobicContact CB-CE1 4.44Å; C128-F130 HydrophobicContact CB-CE2 3.3Å; C128-F130 HydrophobicContact CB-CZ 3.56Å; C128-C154 VanDerWaalsContact CA-SG 3.51Å; C128-C154 HydrophobicContact CB-CB 3.68Å; C128-C154 WeakPolarHBondContact CB-SG 3.37Å; C128-C154 WeakPolarHBondContact SG-CB 3.37Å; C128-C154 CovalentContact SG-SG 2.03Å; C128-C154 PolarHBondContact SG-SG 3.15Å
129V83.1Confident78Confident60 Ų6065.4 Ų65.436%0.36437%0.371SS..  trans-107124.8168.5176.20000108.3F132 A155 T156V129-F132 WeakPolarHBondContact O-CB 3.33Å; V129-A155 PolarHBondContact N-O 3.23Å; V129-T156 WeakPolarHBondContact CG2-O 3.15Å
130F82.6Confident78.9Confident63 Ų6365.3 Ų65.328%0.27638%0.382SS..SBendtrans-120.7137.3177-63.7-67.8000111.5V115 P116 C128 F132 A140 D141 C154V115-F130 HydrophobicContact CG1-CE2 4.37Å; P116-F130 HydrophobicContact CG-CE2 3.86Å; P116-F130 HydrophobicContact CG-CZ 4.12Å; C128-F130 HydrophobicContact CB-CD2 4.02Å; C128-F130 HydrophobicContact CB-CE1 4.44Å; C128-F130 HydrophobicContact CB-CE2 3.3Å; C128-F130 HydrophobicContact CB-CZ 3.56Å; F130-F132 AromaticContact CD1-CD1 4Å; F130-F132 HydrophobicContact CD1-CD1 4Å; F130-F132 HydrophobicContact CD1-CE1 4.28Å; F130-F132 AromaticContact CE1-CD1 3.99Å; F130-F132 HydrophobicContact CE1-CD1 3.99Å; F130-F132 AromaticContact CE1-CE1 3.85Å; F130-F132 HydrophobicContact CE1-CE1 3.85Å; F130-A140 VanDerWaalsContact CD1-C 3.43Å; F130-A140 WeakPolarHBondContact CD1-O 3.47Å; F130-D141 VanDerWaalsContact CE1-CA 3.47Å; F130-C154 HydrophobicContact CE1-CB 4.18Å; F130-C154 HydrophobicContact CZ-CB 3.98Å
131P85.3Confident79.8Confident57 Ų5768 Ų6837%0.3739%0.385SS..SBendcis-70.1156-10.531.8-35.3000112E138 Y139 Y158P131-E138 HydrophobicContact CB-CB 4.46Å; P131-Y139 CarbonylContact C-O 3.56Å; P131-Y139 WeakPolarHBondContact CA-O 2.93Å; P131-Y158 WeakPolarHBondContact O-CD2 3.16Å
132F86.9Confident80.5Confident0 Ų067.3 Ų67.30%037%0.374CS..EExtended strand (participates in β ladder)trans-121.5149.7167.970.9-88.5000111.9V129 F130 F134 E138 Y139 T143 W153 C154 A155V129-F132 WeakPolarHBondContact O-CB 3.33Å; F130-F132 AromaticContact CD1-CD1 4Å; F130-F132 HydrophobicContact CD1-CD1 4Å; F130-F132 HydrophobicContact CD1-CE1 4.28Å; F130-F132 AromaticContact CE1-CD1 3.99Å; F130-F132 HydrophobicContact CE1-CD1 3.99Å; F130-F132 AromaticContact CE1-CE1 3.85Å; F130-F132 HydrophobicContact CE1-CE1 3.85Å; F132-F134 HydrophobicContact CD2-CB 4.23Å; F132-F134 HydrophobicContact CE2-CB 4Å; F132-E138 CarbonylContact O-C 3.6Å; F132-E138 WeakPolarHBondContact O-CA 3.48Å; F132-Y139 HydrophobicContact CE2-CD2 4.08Å; F132-Y139 HydrophobicContact CE2-CG 4.42Å; F132-Y139 HydrophobicContact CZ-CD2 4.31Å; F132-Y139 HydrophobicContact CZ-CG 4.19Å; F132-Y139 PolarHBondContact N-O 3.12Å; F132-Y139 PolarHBondContact O-N 3.09Å; F132-T143 HydrophobicContact CZ-CG2 3.96Å; F132-W153 AromaticContact CE2-CH2 3.96Å; F132-W153 HydrophobicContact CE2-CH2 3.96Å; F132-W153 HydrophobicContact CE2-CZ3 4.01Å; F132-W153 HydrophobicContact CZ-CZ3 4.45Å; F132-C154 HydrophobicContact CE1-CB 3.98Å; F132-A155 HydrophobicContact CB-CB 3.83Å; F132-A155 HydrophobicContact CD1-CB 4.41Å; F132-A155 HydrophobicContact CD2-CB 3.5Å; F132-A155 VanDerWaalsContact CD2-CB 3.5Å; F132-A155 HydrophobicContact CE2-CB 4.13Å; F132-A155 HydrophobicContact CG-CB 3.67Å
133Y86.1Confident80.9Confident88 Ų8864.6 Ų64.635%0.34536%0.358SS..EExtended strand (participates in β ladder)trans-95.5128.1-179.2-173.5-94.9000110.9G136 K137 E138 Y158 Y160Y133-G136 WeakPolarHBondContact OH-CA 3.48Å; Y133-K137 WeakPolarHBondContact CA-O 3.03Å; Y133-E138 HydrophobicContact CD2-CG 4.12Å; Y133-Y158 VanDerWaalsContact CB-O 3.3Å; Y133-Y158 WeakPolarHBondContact CB-O 3.19Å; Y133-Y158 PolarHBondContact N-O 3.32Å; Y133-Y160 WeakPolarHBondContact O-CB 3.5Å; Y133-Y160 PolarHBondContact O-N 3.4Å; Y133-Y160 VanDerWaalsContact O-N 3.11Å
134F85.8Confident81.6Confident8 Ų867.4 Ų67.44%0.03538%0.375CS..EExtended strand (participates in β ladder)trans-147.7124.4176.6171.6-120000110.8F132 G136 K137 Y139 D145 W153 Y160F132-F134 HydrophobicContact CD2-CB 4.23Å; F132-F134 HydrophobicContact CE2-CB 4Å; F134-G136 VanDerWaalsContact C-N 3.27Å; F134-G136 PolarHBondContact O-N 3.39Å; F134-K137 PolarHBondContact N-O 3.09Å; F134-K137 PolarHBondContact O-N 3.04Å; F134-K137 VanDerWaalsContact O-N 3.1Å; F134-Y139 HydrophobicContact CB-CD2 4.11Å; F134-Y139 HydrophobicContact CB-CE2 3.84Å; F134-Y139 AromaticContact CD1-CE2 3.9Å; F134-Y139 HydrophobicContact CD1-CE2 3.9Å; F134-Y139 HydrophobicContact CG-CE2 4.36Å; F134-D145 HydrophobicContact CE1-CB 4.37Å; F134-D145 WeakPolarHBondContact CE1-O 3.26Å; F134-W153 HydrophobicContact CB-CH2 4.41Å; F134-W153 HydrophobicContact CD1-CH2 4.12Å; F134-W153 AromaticContact CD1-CZ2 3.74Å; F134-W153 HydrophobicContact CD1-CZ2 3.74Å; F134-W153 AromaticContact CD2-CH2 3.97Å; F134-W153 HydrophobicContact CD2-CH2 3.97Å; F134-W153 HydrophobicContact CD2-CZ2 4.24Å; F134-W153 HydrophobicContact CE1-CH2 4.39Å; F134-W153 AromaticContact CE1-CZ2 3.71Å; F134-W153 HydrophobicContact CE1-CZ2 3.71Å; F134-W153 HydrophobicContact CE2-CH2 4.22Å; F134-W153 HydrophobicContact CE2-CZ2 4.19Å; F134-W153 AromaticContact CG-CH2 3.9Å; F134-W153 HydrophobicContact CG-CH2 3.9Å; F134-W153 HydrophobicContact CG-CZ2 4.01Å; F134-W153 HydrophobicContact CZ-CH2 4.43Å; F134-W153 AromaticContact CZ-CZ2 3.93Å; F134-W153 HydrophobicContact CZ-CZ2 3.93Å; F134-Y160 AromaticContact CD2-CD1 3.37Å; F134-Y160 HydrophobicContact CD2-CD1 3.37Å; F134-Y160 AromaticContact CD2-CE1 3.81Å; F134-Y160 HydrophobicContact CD2-CE1 3.81Å; F134-Y160 HydrophobicContact CD2-CG 4.03Å; F134-Y160 AromaticContact CE2-CD1 3.75Å; F134-Y160 HydrophobicContact CE2-CD1 3.75Å; F134-Y160 AromaticContact CE2-CE1 3.66Å; F134-Y160 HydrophobicContact CE2-CE1 3.66Å; F134-Y160 HydrophobicContact CG-CD1 4.44Å
135H82.5Confident82.2Confident134 Ų13461.8 Ų61.862%0.6235%0.351SS*.THydrogen-bonded Turntrans50.741.8174.7-75.3-4.1000114.2D161H135-D161 WeakPolarHBondContact CA-OD2 3.37Å; H135-D161 IonicContact CE1-OD1 3.74Å; H135-D161 PolarHBondContact CE1-OD1 2.77Å; H135-D161 PolarHBondContact N-OD2 3.47Å; H135-D161 IonicContact ND1-OD1 3.23Å; H135-D161 PolarHBondContact ND1-OD1 2.69Å; H135-D161 IonicContact ND1-OD2 3.52Å
136G81.9Confident82.6Confident50 Ų5062.7 Ų62.752%0.51536%0.361SS..THydrogen-bonded Turntrans84.97.3176.800000115.8Y133 F134Y133-G136 WeakPolarHBondContact OH-CA 3.48Å; F134-G136 VanDerWaalsContact C-N 3.27Å; F134-G136 PolarHBondContact O-N 3.39Å
137K84.8Confident82.4Confident122 Ų12262.3 Ų62.353%0.5336%0.356SS..EExtended strand (participates in β ladder)trans-128.6148.8176.2-64.1-179.9-174.61710111.3Y133 F134 Y139Y133-K137 WeakPolarHBondContact CA-O 3.03Å; F134-K137 PolarHBondContact N-O 3.09Å; F134-K137 PolarHBondContact O-N 3.04Å; F134-K137 VanDerWaalsContact O-N 3.1Å; K137-Y139 HydrophobicContact CB-CE2 3.81Å
138E86.8Confident82.1Confident115 Ų11562.3 Ų62.354%0.53737%0.372SS..EExtended strand (participates in β ladder)trans-94.4134.3168.1-65-175.4140.900110.2P131 F132 Y133 Y158P131-E138 HydrophobicContact CB-CB 4.46Å; F132-E138 CarbonylContact O-C 3.6Å; F132-E138 WeakPolarHBondContact O-CA 3.48Å; Y133-E138 HydrophobicContact CD2-CG 4.12Å; E138-Y158 PolarHBondContact OE1-OH 2.84Å
139Y83.1Confident81.8Confident32 Ų3267.8 Ų67.813%0.12540%0.4CS..EExtended strand (participates in β ladder)trans-114.7122.5176.8-62.7-93.2000109.2P131 F132 F134 K137 T143 D145P131-Y139 CarbonylContact C-O 3.56Å; P131-Y139 WeakPolarHBondContact CA-O 2.93Å; F132-Y139 HydrophobicContact CE2-CD2 4.08Å; F132-Y139 HydrophobicContact CE2-CG 4.42Å; F132-Y139 HydrophobicContact CZ-CD2 4.31Å; F132-Y139 HydrophobicContact CZ-CG 4.19Å; F132-Y139 PolarHBondContact N-O 3.12Å; F132-Y139 PolarHBondContact O-N 3.09Å; F134-Y139 HydrophobicContact CB-CD2 4.11Å; F134-Y139 HydrophobicContact CB-CE2 3.84Å; F134-Y139 AromaticContact CD1-CE2 3.9Å; F134-Y139 HydrophobicContact CD1-CE2 3.9Å; F134-Y139 HydrophobicContact CG-CE2 4.36Å; K137-Y139 HydrophobicContact CB-CE2 3.81Å; Y139-T143 HydrophobicContact CD1-CG2 4.02Å; Y139-T143 HydrophobicContact CE1-CG2 4.18Å; Y139-T143 WeakPolarHBondContact CE1-OG1 3.43Å; Y139-T143 HydrophobicContact CG-CG2 4.3Å; Y139-D145 HydrophobicContact CE1-CB 4.28Å; Y139-D145 WeakPolarHBondContact CE1-OD2 3.45Å; Y139-D145 PolarHBondContact OH-OD2 2.73Å
140A81.7Confident81.2Confident83 Ų8367.5 Ų67.569%0.68641%0.409SS*.SBendtrans-92.9-1.6178.400000113.5F130F130-A140 VanDerWaalsContact CD1-C 3.43Å; F130-A140 WeakPolarHBondContact CD1-O 3.47Å
141D81.8Confident81Confident103 Ų10372.1 Ų72.155%0.55143%0.425SS*.SBendtrans-149.5169.5180-153.8-24000108.6F130F130-D141 VanDerWaalsContact CE1-CA 3.47Å
142C85Confident80.9Confident21 Ų2172.5 Ų72.514%0.14242%0.424CS..  trans-60.5138.3178.8-62.90000111.9L152 W153 C169C142-L152 HydrophobicContact CB-CB 4.16Å; C142-L152 HydrophobicContact CB-CD2 4.31Å; C142-W153 WeakPolarHBondContact CA-O 3.27Å; C142-C169 HydrophobicContact CB-CB 3.59Å; C142-C169 WeakPolarHBondContact CB-SG 3.48Å; C142-C169 WeakPolarHBondContact SG-CB 3.43Å; C142-C169 CovalentContact SG-SG 2.02Å; C142-C169 PolarHBondContact SG-SG 3.34Å
143T83.3Confident80.8Confident14 Ų1472.7 Ų72.79%0.08642%0.424CS..BIsolated β-bridgetrans-121.5157.3-174.5-167.80000112.1F132 Y139 D145 L152 W153F132-T143 HydrophobicContact CZ-CG2 3.96Å; Y139-T143 HydrophobicContact CD1-CG2 4.02Å; Y139-T143 HydrophobicContact CE1-CG2 4.18Å; Y139-T143 WeakPolarHBondContact CE1-OG1 3.43Å; Y139-T143 HydrophobicContact CG-CG2 4.3Å; T143-D145 HydrophobicContact CG2-CB 4.35Å; T143-D145 WeakPolarHBondContact OG1-CB 3.46Å; T143-D145 PolarHBondContact OG1-N 2.9Å; T143-D145 VanDerWaalsContact OG1-N 3.14Å; T143-L152 CarbonylContact O-C 3.19Å; T143-L152 WeakPolarHBondContact O-CA 3.21Å; T143-W153 HydrophobicContact CG2-CZ2 4.22Å; T143-W153 PolarHBondContact N-O 3.17Å; T143-W153 PolarHBondContact O-N 3.13Å
144T83.7Confident80.8Confident62 Ų6268.5 Ų68.538%0.3841%0.408SS..  trans-98.3-8.7165.754.10000112.3R147 G150 L152T144-R147 PolarHBondContact O-N 3.27Å; T144-G150 WeakPolarHBondContact CG2-O 3.32Å; T144-L152 HydrophobicContact CG2-CD2 3.82Å; T144-L152 HydrophobicContact CG2-CG 4.26Å
145D80.3Confident80.8Confident70 Ų7068.1 Ų68.137%0.37441%0.406SS..THydrogen-bonded Turntrans-57.5140.7-175.9-82.4-20.6000111.4F134 Y139 T143 W153F134-D145 HydrophobicContact CE1-CB 4.37Å; F134-D145 WeakPolarHBondContact CE1-O 3.26Å; Y139-D145 HydrophobicContact CE1-CB 4.28Å; Y139-D145 WeakPolarHBondContact CE1-OD2 3.45Å; Y139-D145 PolarHBondContact OH-OD2 2.73Å; T143-D145 HydrophobicContact CG2-CB 4.35Å; T143-D145 WeakPolarHBondContact OG1-CB 3.46Å; T143-D145 PolarHBondContact OG1-N 2.9Å; T143-D145 VanDerWaalsContact OG1-N 3.14Å; D145-W153 PolarHBondContact O-NE1 3.4Å
146G75.5Confident80.8Confident67 Ų6762.2 Ų62.269%0.69138%0.38SS*.THydrogen-bonded Turntrans83.4-2.3-178.700000116.2
147R73.1Confident80.9Confident67 Ų6760.9 Ų60.925%0.25336%0.362SS..  trans-122.8141179.4-52.1-171.296.4133.612.6113.1T144 W166 F168T144-R147 PolarHBondContact O-N 3.27Å; R147-W166 VanDerWaalsContact NH2-CZ2 3.25Å; R147-W166 VanDerWaalsContact NH2-CZ3 3.3Å; R147-F168 VanDerWaalsContact NH1-CE1 3.35Å
148G71.1Confident80.9Confident84 Ų8461 Ų6187%0.86636%0.36SS*.SBendtrans-79.1-15.9173.300000114.5
149D74.3Confident80.9Confident123 Ų12358.9 Ų58.966%0.65835%0.352SS*.SBendtrans-91-0.5-167.2-49.3-35.2000114.1R151D149-R151 PolarHBondContact O-N 3.27Å; D149-R151 VanDerWaalsContact O-N 3.1Å
150G71Confident80.9Confident54 Ų5459.6 Ų59.656%0.55736%0.355SS*.  trans68.14.2177.200000116.6T144T144-G150 WeakPolarHBondContact CG2-O 3.32Å
151R77.2Confident80.9Confident160 Ų16058.3 Ų58.360%0.60434%0.336SS*.  trans-84.5138.3179.2-63-176.1-178.1-169.4-1.6112.2D149 F168D149-R151 PolarHBondContact O-N 3.27Å; D149-R151 VanDerWaalsContact O-N 3.1Å; R151-F168 HydrophobicContact CB-CD1 3.98Å; R151-F168 HydrophobicContact CB-CE1 4.05Å
152L83.2Confident81Confident65 Ų6555.8 Ų55.834%0.3434%0.335SS..  trans-66.6140.4174.4-69.9167.4000111.4C142 T143 T144 C169C142-L152 HydrophobicContact CB-CB 4.16Å; C142-L152 HydrophobicContact CB-CD2 4.31Å; T143-L152 CarbonylContact O-C 3.19Å; T143-L152 WeakPolarHBondContact O-CA 3.21Å; T144-L152 HydrophobicContact CG2-CD2 3.82Å; T144-L152 HydrophobicContact CG2-CG 4.26Å; L152-C169 HydrophobicContact CB-CB 4.12Å; L152-C169 PolarHBondContact O-N 2.77Å
153W84.3Confident80.9Confident4 Ų459.8 Ų59.82%0.01536%0.355CS..EExtended strand (participates in β ladder)trans-149.2160.8179.274.8-81.7000111.7F132 F134 C142 T143 D145 A155 Y160 W166 G167F132-W153 AromaticContact CE2-CH2 3.96Å; F132-W153 HydrophobicContact CE2-CH2 3.96Å; F132-W153 HydrophobicContact CE2-CZ3 4.01Å; F132-W153 HydrophobicContact CZ-CZ3 4.45Å; F134-W153 HydrophobicContact CB-CH2 4.41Å; F134-W153 HydrophobicContact CD1-CH2 4.12Å; F134-W153 AromaticContact CD1-CZ2 3.74Å; F134-W153 HydrophobicContact CD1-CZ2 3.74Å; F134-W153 AromaticContact CD2-CH2 3.97Å; F134-W153 HydrophobicContact CD2-CH2 3.97Å; F134-W153 HydrophobicContact CD2-CZ2 4.24Å; F134-W153 HydrophobicContact CE1-CH2 4.39Å; F134-W153 AromaticContact CE1-CZ2 3.71Å; F134-W153 HydrophobicContact CE1-CZ2 3.71Å; F134-W153 HydrophobicContact CE2-CH2 4.22Å; F134-W153 HydrophobicContact CE2-CZ2 4.19Å; F134-W153 AromaticContact CG-CH2 3.9Å; F134-W153 HydrophobicContact CG-CH2 3.9Å; F134-W153 HydrophobicContact CG-CZ2 4.01Å; F134-W153 HydrophobicContact CZ-CH2 4.43Å; F134-W153 AromaticContact CZ-CZ2 3.93Å; F134-W153 HydrophobicContact CZ-CZ2 3.93Å; C142-W153 WeakPolarHBondContact CA-O 3.27Å; T143-W153 HydrophobicContact CG2-CZ2 4.22Å; T143-W153 PolarHBondContact N-O 3.17Å; T143-W153 PolarHBondContact O-N 3.13Å; D145-W153 PolarHBondContact O-NE1 3.4Å; W153-A155 HydrophobicContact CZ3-CB 4.43Å; W153-Y160 HydrophobicContact CE3-CE2 4.47Å; W153-Y160 HydrophobicContact CH2-CD1 4.34Å; W153-Y160 AromaticContact CH2-CD2 3.66Å; W153-Y160 HydrophobicContact CH2-CD2 3.66Å; W153-Y160 HydrophobicContact CH2-CE1 4.39Å; W153-Y160 AromaticContact CH2-CE2 3.68Å; W153-Y160 HydrophobicContact CH2-CE2 3.68Å; W153-Y160 AromaticContact CH2-CG 3.97Å; W153-Y160 HydrophobicContact CH2-CG 3.97Å; W153-Y160 AromaticContact CZ3-CD2 3.46Å; W153-Y160 HydrophobicContact CZ3-CD2 3.46Å; W153-Y160 VanDerWaalsContact CZ3-CD2 3.46Å; W153-Y160 AromaticContact CZ3-CE2 3.5Å; W153-Y160 HydrophobicContact CZ3-CE2 3.5Å; W153-Y160 VanDerWaalsContact CZ3-CE2 3.5Å; W153-Y160 HydrophobicContact CZ3-CG 4.2Å; W153-W166 HydrophobicContact CB-CE3 4.45Å; W153-W166 HydrophobicContact CE3-CB 3.7Å; W153-W166 HydrophobicContact CE3-CG 4.33Å; W153-W166 HydrophobicContact CZ3-CB 3.82Å; W153-G167 WeakPolarHBondContact CA-O 3.42Å; W153-G167 WeakPolarHBondContact CB-O 3.04Å
154C85.8Confident80.9Confident0 Ų065.3 Ų65.30%038%0.378CS..EExtended strand (participates in β ladder)trans-137.7157.4174.968.20000110.8C128 F130 F132 W166 G167C128-C154 VanDerWaalsContact CA-SG 3.51Å; C128-C154 HydrophobicContact CB-CB 3.68Å; C128-C154 WeakPolarHBondContact CB-SG 3.37Å; C128-C154 WeakPolarHBondContact SG-CB 3.37Å; C128-C154 CovalentContact SG-SG 2.03Å; C128-C154 PolarHBondContact SG-SG 3.15Å; F130-C154 HydrophobicContact CE1-CB 4.18Å; F130-C154 HydrophobicContact CZ-CB 3.98Å; F132-C154 HydrophobicContact CE1-CB 3.98Å; C154-W166 VanDerWaalsContact O-CA 3.27Å; C154-W166 WeakPolarHBondContact O-CA 3.43Å; C154-W166 VanDerWaalsContact O-CB 3.28Å; C154-W166 WeakPolarHBondContact O-CB 3.41Å; C154-G167 PolarHBondContact N-O 2.75Å; C154-G167 PolarHBondContact O-N 3.41Å
155A86.3Confident81Confident0 Ų065.7 Ų65.70%037%0.374CS..EExtended strand (participates in β ladder)trans-82.9147.4165.100000110.7V129 F132 W153 T157 Y160 K165V129-A155 PolarHBondContact N-O 3.23Å; F132-A155 HydrophobicContact CB-CB 3.83Å; F132-A155 HydrophobicContact CD1-CB 4.41Å; F132-A155 HydrophobicContact CD2-CB 3.5Å; F132-A155 VanDerWaalsContact CD2-CB 3.5Å; F132-A155 HydrophobicContact CE2-CB 4.13Å; F132-A155 HydrophobicContact CG-CB 3.67Å; W153-A155 HydrophobicContact CZ3-CB 4.43Å; A155-T157 VanDerWaalsContact C-N 3.28Å; A155-T157 WeakPolarHBondContact CB-O 3.39Å; A155-Y160 HydrophobicContact CB-CD2 4.14Å; A155-K165 WeakPolarHBondContact CA-O 3.22Å
156T83.8Confident81.1Confident11 Ų1164 Ų647%0.06736%0.362CS..SBendtrans-95.311.9173.270.30000112.2V118 S123 E126 P127 V129 K165V118-T156 HydrophobicContact CG1-CG2 4.33Å; S123-T156 VanDerWaalsContact CB-OG1 3.29Å; S123-T156 WeakPolarHBondContact CB-OG1 3.46Å; S123-T156 WeakPolarHBondContact OG-CG2 3.18Å; E126-T156 HydrophobicContact CB-CG2 4Å; E126-T156 WeakPolarHBondContact O-CG2 3.32Å; E126-T156 PolarHBondContact OE2-OG1 3.2Å; P127-T156 WeakPolarHBondContact O-CA 3.39Å; P127-T156 WeakPolarHBondContact O-CB 3.4Å; P127-T156 WeakPolarHBondContact O-CG2 3.22Å; V129-T156 WeakPolarHBondContact CG2-O 3.15Å; T156-K165 PolarHBondContact N-O 3.1Å; T156-K165 VanDerWaalsContact N-O 3.12Å; T156-K165 WeakPolarHBondContact OG1-CB 3.41Å
157T83.8Confident81.5Confident22 Ų2260.8 Ų60.814%0.13533%0.329CS..SBendtrans-144.5153.1-17743.70000108A155 D163 K165A155-T157 VanDerWaalsContact C-N 3.28Å; A155-T157 WeakPolarHBondContact CB-O 3.39Å; T157-D163 HydrophobicContact CG2-CB 4.14Å; T157-D163 WeakPolarHBondContact CG2-OD2 3.5Å; T157-K165 HydrophobicContact CG2-CB 4.27Å; T157-K165 HydrophobicContact CG2-CD 3.85Å
158Y85Confident81.9Confident124 Ų12460 Ų6049%0.48633%0.328SS..SBendtrans-67.3-36-178.2174.4-97.4000112.5P131 Y133 E138P131-Y158 WeakPolarHBondContact O-CD2 3.16Å; Y133-Y158 VanDerWaalsContact CB-O 3.3Å; Y133-Y158 WeakPolarHBondContact CB-O 3.19Å; Y133-Y158 PolarHBondContact N-O 3.32Å; E138-Y158 PolarHBondContact OE1-OH 2.84Å
159D86.4Confident82.1Confident70 Ų7056.6 Ų56.637%0.37429%0.291SS..BIsolated β-bridgetrans-110.196.3177.7-176.9-2.1000111.2D161 G162 D163D159-D161 VanDerWaalsContact C-N 3.33Å; D159-D161 PolarHBondContact O-N 3.13Å; D159-D161 PolarHBondContact OD1-N 3.37Å; D159-G162 PolarHBondContact OD1-N 3.03Å; D159-G162 VanDerWaalsContact OD1-N 3.16Å; D159-D163 PolarHBondContact O-N 3.11Å; D159-D163 VanDerWaalsContact O-N 3.09Å
160Y82.6Confident81.9Confident48 Ų4852 Ų5219%0.18827%0.265CS..Hα-helixtrans-64-38.3175.9175.1-86.3000112.5Y133 F134 W153 A155 G162 K164 W166Y133-Y160 WeakPolarHBondContact O-CB 3.5Å; Y133-Y160 PolarHBondContact O-N 3.4Å; Y133-Y160 VanDerWaalsContact O-N 3.11Å; F134-Y160 AromaticContact CD2-CD1 3.37Å; F134-Y160 HydrophobicContact CD2-CD1 3.37Å; F134-Y160 AromaticContact CD2-CE1 3.81Å; F134-Y160 HydrophobicContact CD2-CE1 3.81Å; F134-Y160 HydrophobicContact CD2-CG 4.03Å; F134-Y160 AromaticContact CE2-CD1 3.75Å; F134-Y160 HydrophobicContact CE2-CD1 3.75Å; F134-Y160 AromaticContact CE2-CE1 3.66Å; F134-Y160 HydrophobicContact CE2-CE1 3.66Å; F134-Y160 HydrophobicContact CG-CD1 4.44Å; W153-Y160 HydrophobicContact CE3-CE2 4.47Å; W153-Y160 HydrophobicContact CH2-CD1 4.34Å; W153-Y160 AromaticContact CH2-CD2 3.66Å; W153-Y160 HydrophobicContact CH2-CD2 3.66Å; W153-Y160 HydrophobicContact CH2-CE1 4.39Å; W153-Y160 AromaticContact CH2-CE2 3.68Å; W153-Y160 HydrophobicContact CH2-CE2 3.68Å; W153-Y160 AromaticContact CH2-CG 3.97Å; W153-Y160 HydrophobicContact CH2-CG 3.97Å; W153-Y160 AromaticContact CZ3-CD2 3.46Å; W153-Y160 HydrophobicContact CZ3-CD2 3.46Å; W153-Y160 VanDerWaalsContact CZ3-CD2 3.46Å; W153-Y160 AromaticContact CZ3-CE2 3.5Å; W153-Y160 HydrophobicContact CZ3-CE2 3.5Å; W153-Y160 VanDerWaalsContact CZ3-CE2 3.5Å; W153-Y160 HydrophobicContact CZ3-CG 4.2Å; A155-Y160 HydrophobicContact CB-CD2 4.14Å; Y160-G162 PolarHBondContact O-N 3.49Å; Y160-K164 VanDerWaalsContact O-CA 3.27Å; Y160-K164 WeakPolarHBondContact O-CA 3.13Å; Y160-K164 WeakPolarHBondContact O-CG 3.27Å; Y160-K164 PolarHBondContact O-N 3.04Å; Y160-W166 HydrophobicContact CD2-CB 4.16Å; Y160-W166 HydrophobicContact CE2-CB 3.75Å; Y160-W166 AromaticContact CE2-CD1 3.56Å; Y160-W166 AromaticContact CE2-CG 3.82Å; Y160-W166 HydrophobicContact CE2-CG 3.82Å
161D82.1Confident82.1Confident55 Ų5552.2 Ų52.229%0.29426%0.256SS..Hα-helixtrans-66.8-30.3-171-72.6-40.3000110.7H135 D159 K164H135-D161 WeakPolarHBondContact CA-OD2 3.37Å; H135-D161 IonicContact CE1-OD1 3.74Å; H135-D161 PolarHBondContact CE1-OD1 2.77Å; H135-D161 PolarHBondContact N-OD2 3.47Å; H135-D161 IonicContact ND1-OD1 3.23Å; H135-D161 PolarHBondContact ND1-OD1 2.69Å; H135-D161 IonicContact ND1-OD2 3.52Å; D159-D161 VanDerWaalsContact C-N 3.33Å; D159-D161 PolarHBondContact O-N 3.13Å; D159-D161 PolarHBondContact OD1-N 3.37Å; D161-K164 WeakPolarHBondContact O-CE 3.38Å
162G83.4Confident82Confident51 Ų5152.7 Ų52.753%0.52627%0.265SS..Hα-helixtrans-76.7-65.4167.600000114.3D159 Y160D159-G162 PolarHBondContact OD1-N 3.03Å; D159-G162 VanDerWaalsContact OD1-N 3.16Å; Y160-G162 PolarHBondContact O-N 3.49Å
163D82.6Confident81.7Confident104 Ų10455.8 Ų55.856%0.55628%0.278SS*.Hα-helixtrans-81.6-25.6-165.9-74.6-27.4000114.1T157 D159 K165T157-D163 HydrophobicContact CG2-CB 4.14Å; T157-D163 WeakPolarHBondContact CG2-OD2 3.5Å; D159-D163 PolarHBondContact O-N 3.11Å; D159-D163 VanDerWaalsContact O-N 3.09Å; D163-K165 PolarHBondContact O-N 3.38Å
164K84.2Confident81.2Confident131 Ų13160.4 Ų60.457%0.5730%0.3SS*.  trans53.624.8179.6-59.8174.2-175.1171.80114.4T122 Y160 D161T122-K164 PolarHBondContact OG1-O 2.81Å; Y160-K164 VanDerWaalsContact O-CA 3.27Å; Y160-K164 WeakPolarHBondContact O-CA 3.13Å; Y160-K164 WeakPolarHBondContact O-CG 3.27Å; Y160-K164 PolarHBondContact O-N 3.04Å; D161-K164 WeakPolarHBondContact O-CE 3.38Å
165K84.6Confident80.7Confident69 Ų6962 Ų6230%0.331%0.313SS..  trans-88119.3172.7-75.6-176.9155.8-158.50110.9T122 E126 A155 T156 T157 D163T122-K165 WeakPolarHBondContact OG1-CA 3.49Å; E126-K165 IonicContact OE1-NZ 2.94Å; E126-K165 PolarHBondContact OE1-NZ 3.4Å; E126-K165 IonicContact OE2-NZ 3.76Å; E126-K165 PolarHBondContact OE2-NZ 2.88Å; A155-K165 WeakPolarHBondContact CA-O 3.22Å; T156-K165 PolarHBondContact N-O 3.1Å; T156-K165 VanDerWaalsContact N-O 3.12Å; T156-K165 WeakPolarHBondContact OG1-CB 3.41Å; T157-K165 HydrophobicContact CG2-CB 4.27Å; T157-K165 HydrophobicContact CG2-CD 3.85Å; D163-K165 PolarHBondContact O-N 3.38Å
166W83.7Confident80.4Confident34 Ų3467.9 Ų67.913%0.12934%0.34CS..EExtended strand (participates in β ladder)trans-152.2163.5179.466.3-82.8000111.1G121 T122 S123 R147 W153 C154 Y160 F168G121-W166 CarbonylContact C-O 3.54Å; G121-W166 WeakPolarHBondContact CA-O 3.48Å; T122-W166 PolarHBondContact N-O 2.03Å; T122-W166 PolarHBondContact OG1-N 3.16Å; T122-W166 VanDerWaalsContact OG1-N 3.09Å; T122-W166 PolarHBondContact OG1-NE1 2.73Å; S123-W166 PolarHBondContact N-O 3.48Å; S123-W166 PolarHBondContact OG-O 3.25Å; R147-W166 VanDerWaalsContact NH2-CZ2 3.25Å; R147-W166 VanDerWaalsContact NH2-CZ3 3.3Å; W153-W166 HydrophobicContact CB-CE3 4.45Å; W153-W166 HydrophobicContact CE3-CB 3.7Å; W153-W166 HydrophobicContact CE3-CG 4.33Å; W153-W166 HydrophobicContact CZ3-CB 3.82Å; C154-W166 VanDerWaalsContact O-CA 3.27Å; C154-W166 WeakPolarHBondContact O-CA 3.43Å; C154-W166 VanDerWaalsContact O-CB 3.28Å; C154-W166 WeakPolarHBondContact O-CB 3.41Å; Y160-W166 HydrophobicContact CD2-CB 4.16Å; Y160-W166 HydrophobicContact CE2-CB 3.75Å; Y160-W166 AromaticContact CE2-CD1 3.56Å; Y160-W166 AromaticContact CE2-CG 3.82Å; Y160-W166 HydrophobicContact CE2-CG 3.82Å; W166-F168 HydrophobicContact CH2-CD2 4.29Å; W166-F168 HydrophobicContact CH2-CE1 4.41Å; W166-F168 AromaticContact CH2-CE2 3.65Å; W166-F168 HydrophobicContact CH2-CE2 3.65Å; W166-F168 AromaticContact CH2-CZ 3.72Å; W166-F168 HydrophobicContact CH2-CZ 3.72Å; W166-F168 HydrophobicContact CZ3-CD1 4.15Å; W166-F168 AromaticContact CZ3-CD2 3.79Å; W166-F168 HydrophobicContact CZ3-CD2 3.79Å; W166-F168 AromaticContact CZ3-CE1 3.96Å; W166-F168 HydrophobicContact CZ3-CE1 3.96Å; W166-F168 AromaticContact CZ3-CE2 3.57Å; W166-F168 HydrophobicContact CZ3-CE2 3.57Å; W166-F168 HydrophobicContact CZ3-CG 4.08Å; W166-F168 AromaticContact CZ3-CZ 3.66Å; W166-F168 HydrophobicContact CZ3-CZ 3.66Å
167G82.6Confident80.3Confident0 Ų072.5 Ų72.50%036%0.361CS..EExtended strand (participates in β ladder)trans-149.4-178.4160.700000112.2G120 W153 C154G120-G167 WeakPolarHBondContact O-CA 3.4Å; W153-G167 WeakPolarHBondContact CA-O 3.42Å; W153-G167 WeakPolarHBondContact CB-O 3.04Å; C154-G167 PolarHBondContact N-O 2.75Å; C154-G167 PolarHBondContact O-N 3.41Å
168F82.1Confident80.2Confident52 Ų5274.5 Ų74.523%0.22837%0.366CS..EExtended strand (participates in β ladder)trans-83139.4-179.1-63.1-76000110.7V118 N119 R147 R151 W166V118-F168 WeakPolarHBondContact CA-O 3.44Å; N119-F168 PolarHBondContact N-O 3.44Å; N119-F168 VanDerWaalsContact N-O 3.13Å; N119-F168 WeakPolarHBondContact O-CB 3.39Å; N119-F168 WeakPolarHBondContact O-CD2 3.42Å; N119-F168 PolarHBondContact O-N 2.98Å; R147-F168 VanDerWaalsContact NH1-CE1 3.35Å; R151-F168 HydrophobicContact CB-CD1 3.98Å; R151-F168 HydrophobicContact CB-CE1 4.05Å; W166-F168 HydrophobicContact CH2-CD2 4.29Å; W166-F168 HydrophobicContact CH2-CE1 4.41Å; W166-F168 AromaticContact CH2-CE2 3.65Å; W166-F168 HydrophobicContact CH2-CE2 3.65Å; W166-F168 AromaticContact CH2-CZ 3.72Å; W166-F168 HydrophobicContact CH2-CZ 3.72Å; W166-F168 HydrophobicContact CZ3-CD1 4.15Å; W166-F168 AromaticContact CZ3-CD2 3.79Å; W166-F168 HydrophobicContact CZ3-CD2 3.79Å; W166-F168 AromaticContact CZ3-CE1 3.96Å; W166-F168 HydrophobicContact CZ3-CE1 3.96Å; W166-F168 AromaticContact CZ3-CE2 3.57Å; W166-F168 HydrophobicContact CZ3-CE2 3.57Å; W166-F168 HydrophobicContact CZ3-CG 4.08Å; W166-F168 AromaticContact CZ3-CZ 3.66Å; W166-F168 HydrophobicContact CZ3-CZ 3.66Å
169C75.4Confident80.2Confident11 Ų1172.4 Ų72.47%0.07436%0.363CS..EExtended strand (participates in β ladder)trans-85.2141.2167.7-58.40000109.9P116 C142 L152P116-C169 HydrophobicContact CB-CB 4.39Å; C142-C169 HydrophobicContact CB-CB 3.59Å; C142-C169 WeakPolarHBondContact CB-SG 3.48Å; C142-C169 WeakPolarHBondContact SG-CB 3.43Å; C142-C169 CovalentContact SG-SG 2.02Å; C142-C169 PolarHBondContact SG-SG 3.34Å; L152-C169 HydrophobicContact CB-CB 4.12Å; L152-C169 PolarHBondContact O-N 2.77Å
170E70.8Confident80.1Confident27 Ų2774.8 Ų74.813%0.12637%0.372CS..PPolyproline II helixtrans-74.9154170-66.2170.3152.400110.8N119 Q174 R178N119-E170 PolarHBondContact ND2-OE1 3.48Å; E170-Q174 HydrophobicContact CB-CB 4.08Å; E170-R178 IonicContact OE1-CZ 2.67Å; E170-R178 IonicContact OE1-NH1 3.48Å; E170-R178 PolarHBondContact OE1-NH1 3.27Å; E170-R178 IonicContact OE2-CZ 2.76Å; E170-R178 IonicContact OE2-NH1 3.81Å; E170-R178 PolarHBondContact OE2-NH1 3.08Å; E170-R178 IonicContact OE2-NH2 3.6Å; E170-R178 PolarHBondContact OE2-NH2 3.24Å
171T75.2Confident80.3Confident59 Ų5975.3 Ų75.336%0.36239%0.386SS..PPolyproline II helixtrans-76.4158162.858.20000110.1E173 Q174 A175T171-E173 PolarHBondContact O-N 3.49Å; T171-Q174 WeakPolarHBondContact O-CB 3.41Å; T171-Q174 PolarHBondContact O-N 3.44Å; T171-Q174 VanDerWaalsContact OG1-CG 3.29Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.29Å; T171-Q174 PolarHBondContact OG1-N 3.13Å; T171-A175 PolarHBondContact O-N 3.11Å
172E74.3Confident80.5Confident170 Ų17077.9 Ų77.979%0.79440%0.396SS*.Hα-helixtrans-52.5-43.2175.3-65.4179.1154.500111.2Q174 A175 E176E172-Q174 VanDerWaalsContact C-N 3.34Å; E172-Q174 PolarHBondContact O-N 2.96Å; E172-A175 PolarHBondContact O-N 2.94Å; E172-E176 WeakPolarHBondContact O-CG 3.46Å; E172-E176 PolarHBondContact O-N 3.46Å
173E76.6Confident80.8Confident129 Ų12980.3 Ų80.360%0.60339%0.394SS*.Hα-helixtrans-59.3-37174.7-172.2-175.6-178.800113.6T171 Q177T171-E173 PolarHBondContact O-N 3.49Å; E173-Q177 WeakPolarHBondContact O-CB 3.49Å; E173-Q177 WeakPolarHBondContact O-CG 3.07Å; E173-Q177 PolarHBondContact O-N 3.21Å
174Q75.1Confident81.2Confident102 Ų10275.4 Ų75.448%0.47737%0.368SS..Hα-helixtrans-74.5-37.1176.8-75.4170.4-7.100112E170 T171 E172 Q177 R178E170-Q174 HydrophobicContact CB-CB 4.08Å; T171-Q174 WeakPolarHBondContact O-CB 3.41Å; T171-Q174 PolarHBondContact O-N 3.44Å; T171-Q174 VanDerWaalsContact OG1-CG 3.29Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.29Å; T171-Q174 PolarHBondContact OG1-N 3.13Å; E172-Q174 VanDerWaalsContact C-N 3.34Å; E172-Q174 PolarHBondContact O-N 2.96Å; Q174-Q177 PolarHBondContact O-N 3.35Å; Q174-R178 PolarHBondContact O-N 3.46Å
175A73.7Confident81.5Confident33 Ų3371.5 Ų71.527%0.27335%0.351SS..Hα-helixtrans-65.6-43.3174.800000111.3T171 E172 R178 L179T171-A175 PolarHBondContact O-N 3.11Å; E172-A175 PolarHBondContact O-N 2.94Å; A175-R178 PolarHBondContact O-N 3.3Å; A175-L179 WeakPolarHBondContact O-CB 3.32Å; A175-L179 PolarHBondContact O-N 3.11Å
176E80.3Confident81.9Confident123 Ų12375.2 Ų75.258%0.57537%0.37SS*.Hα-helixtrans-60.7-45.1173-74.1-176.7169.600111.9E172 R178 L179 Q180E172-E176 WeakPolarHBondContact O-CG 3.46Å; E172-E176 PolarHBondContact O-N 3.46Å; E176-R178 PolarHBondContact O-N 3.19Å; E176-L179 PolarHBondContact O-N 3.01Å; E176-Q180 WeakPolarHBondContact O-CB 3.3Å; E176-Q180 VanDerWaalsContact O-CG 3.29Å; E176-Q180 WeakPolarHBondContact O-CG 3.43Å; E176-Q180 PolarHBondContact O-N 3.04Å
177Q81.8Confident82.3Confident108 Ų10877.7 Ų77.751%0.50538%0.383SS..Hα-helixtrans-62.7-38.9176.8-76.1172.319.900112.7E173 Q174 A181E173-Q177 WeakPolarHBondContact O-CB 3.49Å; E173-Q177 WeakPolarHBondContact O-CG 3.07Å; E173-Q177 PolarHBondContact O-N 3.21Å; Q174-Q177 PolarHBondContact O-N 3.35Å; Q177-A181 WeakPolarHBondContact O-CB 3.38Å; Q177-A181 PolarHBondContact O-N 3.2Å; Q177-A181 VanDerWaalsContact O-N 3.11Å
178R82.2Confident82.8Confident65 Ų6579 Ų7925%0.24539%0.388CS..Hα-helixtrans-64.5-49.3172.9-180-176.262.1-128.7-24.6110.9E170 Q174 A175 E176 Q180 A181 E182E170-R178 IonicContact OE1-CZ 2.67Å; E170-R178 IonicContact OE1-NH1 3.48Å; E170-R178 PolarHBondContact OE1-NH1 3.27Å; E170-R178 IonicContact OE2-CZ 2.76Å; E170-R178 IonicContact OE2-NH1 3.81Å; E170-R178 PolarHBondContact OE2-NH1 3.08Å; E170-R178 IonicContact OE2-NH2 3.6Å; E170-R178 PolarHBondContact OE2-NH2 3.24Å; Q174-R178 PolarHBondContact O-N 3.46Å; A175-R178 PolarHBondContact O-N 3.3Å; E176-R178 PolarHBondContact O-N 3.19Å; R178-Q180 VanDerWaalsContact C-N 3.3Å; R178-Q180 PolarHBondContact O-N 3.42Å; R178-A181 CarbonylContact O-C 3.58Å; R178-A181 WeakPolarHBondContact O-CA 3.4Å; R178-A181 WeakPolarHBondContact O-CB 3.38Å; R178-A181 PolarHBondContact O-N 3.32Å; R178-E182 VanDerWaalsContact CD-OE1 3.22Å; R178-E182 WeakPolarHBondContact CD-OE1 3.48Å; R178-E182 HydrophobicContact CG-CG 4.13Å; R178-E182 WeakPolarHBondContact CG-OE1 3.35Å; R178-E182 IonicContact NE-OE1 3.48Å; R178-E182 WeakPolarHBondContact O-CG 3.29Å; R178-E182 PolarHBondContact O-N 3.24Å
179L84.1Confident83.4Confident80 Ų8080.2 Ų80.242%0.41939%0.394SS..Hα-helixtrans-61.3-41-175.8-168.1147.8000110.9A175 E176 A181 E182 E183A175-L179 WeakPolarHBondContact O-CB 3.32Å; A175-L179 PolarHBondContact O-N 3.11Å; E176-L179 PolarHBondContact O-N 3.01Å; L179-A181 VanDerWaalsContact C-N 3.35Å; L179-A181 PolarHBondContact O-N 3.17Å; L179-E182 PolarHBondContact O-N 3.36Å; L179-E183 HydrophobicContact CD2-CG 4.21Å; L179-E183 WeakPolarHBondContact CD2-OE1 3.42Å; L179-E183 WeakPolarHBondContact O-CB 3.27Å; L179-E183 WeakPolarHBondContact O-CG 3.27Å; L179-E183 PolarHBondContact O-N 3.25Å
180Q85.4Confident84.2Confident120 Ų12082.1 Ų82.156%0.56141%0.408SS*.Hα-helixtrans-61.8-37.9171.2-70.9173.314.200113.1E176 R178 A184E176-Q180 WeakPolarHBondContact O-CB 3.3Å; E176-Q180 VanDerWaalsContact O-CG 3.29Å; E176-Q180 WeakPolarHBondContact O-CG 3.43Å; E176-Q180 PolarHBondContact O-N 3.04Å; R178-Q180 VanDerWaalsContact C-N 3.3Å; R178-Q180 PolarHBondContact O-N 3.42Å; Q180-A184 VanDerWaalsContact O-CB 3.26Å; Q180-A184 WeakPolarHBondContact O-CB 3.42Å; Q180-A184 PolarHBondContact O-N 2.71Å
181A85.3Confident85.3Confident59 Ų5981.4 Ų81.449%0.48841%0.405SS..Hα-helixtrans-71-36.5177.100000112.7Q177 R178 L179 A184 E185Q177-A181 WeakPolarHBondContact O-CB 3.38Å; Q177-A181 PolarHBondContact O-N 3.2Å; Q177-A181 VanDerWaalsContact O-N 3.11Å; R178-A181 CarbonylContact O-C 3.58Å; R178-A181 WeakPolarHBondContact O-CA 3.4Å; R178-A181 WeakPolarHBondContact O-CB 3.38Å; R178-A181 PolarHBondContact O-N 3.32Å; L179-A181 VanDerWaalsContact C-N 3.35Å; L179-A181 PolarHBondContact O-N 3.17Å; A181-A184 PolarHBondContact O-N 3.44Å; A181-E185 PolarHBondContact O-N 3.42Å
182E87.6Confident86.1Confident109 Ų10980.5 Ų80.551%0.50940%0.398SS..Hα-helixtrans-67-49.1174.4-73174.1174.200110.8R178 L179 A184 E185 E186R178-E182 VanDerWaalsContact CD-OE1 3.22Å; R178-E182 WeakPolarHBondContact CD-OE1 3.48Å; R178-E182 HydrophobicContact CG-CG 4.13Å; R178-E182 WeakPolarHBondContact CG-OE1 3.35Å; R178-E182 IonicContact NE-OE1 3.48Å; R178-E182 WeakPolarHBondContact O-CG 3.29Å; R178-E182 PolarHBondContact O-N 3.24Å; L179-E182 PolarHBondContact O-N 3.36Å; E182-A184 VanDerWaalsContact C-N 3.26Å; E182-A184 PolarHBondContact O-N 2.89Å; E182-E185 PolarHBondContact O-N 2.94Å; E182-E186 PolarHBondContact O-N 3.43Å
183E89.8Confident86.8Confident101 Ų10180.9 Ų80.947%0.47239%0.392SS..Hα-helixtrans-55.4-40.8172.1-74.9-174.9174.100111.9L179 E186 Q187L179-E183 HydrophobicContact CD2-CG 4.21Å; L179-E183 WeakPolarHBondContact CD2-OE1 3.42Å; L179-E183 WeakPolarHBondContact O-CB 3.27Å; L179-E183 WeakPolarHBondContact O-CG 3.27Å; L179-E183 PolarHBondContact O-N 3.25Å; E183-E186 PolarHBondContact O-N 3.42Å; E183-Q187 WeakPolarHBondContact O-CB 3.44Å; E183-Q187 WeakPolarHBondContact O-CG 3.4Å; E183-Q187 PolarHBondContact O-N 2.93Å
184A89.9Confident87.5Confident2 Ų280.5 Ų80.52%0.01739%0.389CS..Hα-helixtrans-68.8-37.8178.600000113.2Q180 A181 E182 Y188 V214 H219Q180-A184 VanDerWaalsContact O-CB 3.26Å; Q180-A184 WeakPolarHBondContact O-CB 3.42Å; Q180-A184 PolarHBondContact O-N 2.71Å; A181-A184 PolarHBondContact O-N 3.44Å; E182-A184 VanDerWaalsContact C-N 3.26Å; E182-A184 PolarHBondContact O-N 2.89Å; A184-Y188 VanDerWaalsContact O-CB 3.23Å; A184-Y188 WeakPolarHBondContact O-CB 3.29Å; A184-Y188 PolarHBondContact O-N 2.88Å; A184-V214 HydrophobicContact CB-CG1 4.47Å; A184-V214 WeakPolarHBondContact O-CG1 3.42Å; A184-H219 HydrophobicContact CB-CB 4.16Å
185E91.2Very high88.2Confident48 Ų4876.3 Ų76.322%0.22437%0.369CS..Hα-helixtrans-69.9-38.1173.8175.673.2-133.500111.2A181 E182 Y188 Q189 H219 K221A181-E185 PolarHBondContact O-N 3.42Å; E182-E185 PolarHBondContact O-N 2.94Å; E185-Y188 WeakPolarHBondContact O-CB 3.02Å; E185-Y188 PolarHBondContact O-N 3.28Å; E185-Q189 WeakPolarHBondContact O-CG 3.22Å; E185-Q189 PolarHBondContact O-N 3.15Å; E185-Q189 WeakPolarHBondContact OE1-CG 3.38Å; E185-Q189 PolarHBondContact OE1-NE2 2.81Å; E185-H219 IonicContact OE2-NE2 2.92Å; E185-H219 PolarHBondContact OE2-NE2 3.23Å; E185-K221 IonicContact OE1-NZ 3.21Å; E185-K221 IonicContact OE2-NZ 2.68Å; E185-K221 PolarHBondContact OE2-NZ 3.21Å
186E92.1Very high88.7Confident148 Ų14881.3 Ų81.369%0.69239%0.391SS*.Hα-helixtrans-62.6-46.8172.5-73-158.8161.400112.1E182 E183 Y188 Q189 S190E182-E186 PolarHBondContact O-N 3.43Å; E183-E186 PolarHBondContact O-N 3.42Å; E186-Y188 VanDerWaalsContact C-N 3.32Å; E186-Y188 PolarHBondContact O-N 3.04Å; E186-Q189 PolarHBondContact O-N 3.04Å; E186-S190 WeakPolarHBondContact O-CB 3.31Å; E186-S190 PolarHBondContact O-N 3.16Å
187Q92.8Very high88.6Confident86 Ų8678.9 Ų78.940%0.40240%0.4SS..Hα-helixtrans-60.4-42.8174.7-72.6175.429.400111.2E183 S190 V191 V214E183-Q187 WeakPolarHBondContact O-CB 3.44Å; E183-Q187 WeakPolarHBondContact O-CG 3.4Å; E183-Q187 PolarHBondContact O-N 2.93Å; Q187-S190 WeakPolarHBondContact O-CB 3.37Å; Q187-S190 PolarHBondContact O-N 3.04Å; Q187-V191 WeakPolarHBondContact O-CG2 3.42Å; Q187-V191 PolarHBondContact O-N 3.33Å; Q187-V214 HydrophobicContact CB-CG2 3.86Å
188Y94.1Very high88.7Confident26 Ų2674.3 Ų74.310%0.10238%0.38CS..Hα-helixtrans-58.2-49.7175178-109.8000112A184 E185 E186 S190 V191 L192 L211 H219 K221 A222A184-Y188 VanDerWaalsContact O-CB 3.23Å; A184-Y188 WeakPolarHBondContact O-CB 3.29Å; A184-Y188 PolarHBondContact O-N 2.88Å; E185-Y188 WeakPolarHBondContact O-CB 3.02Å; E185-Y188 PolarHBondContact O-N 3.28Å; E186-Y188 VanDerWaalsContact C-N 3.32Å; E186-Y188 PolarHBondContact O-N 3.04Å; Y188-S190 PolarHBondContact O-N 3.38Å; Y188-V191 PolarHBondContact O-N 2.93Å; Y188-L192 HydrophobicContact CD1-CD1 3.94Å; Y188-L192 HydrophobicContact CD1-CG 4.43Å; Y188-L192 HydrophobicContact CE1-CD1 3.37Å; Y188-L192 HydrophobicContact CE1-CG 4.13Å; Y188-L192 HydrophobicContact CE2-CD1 4.31Å; Y188-L192 HydrophobicContact CE2-CD2 4.44Å; Y188-L192 HydrophobicContact CE2-CG 4.29Å; Y188-L192 WeakPolarHBondContact O-CG 3.41Å; Y188-L192 PolarHBondContact O-N 2.9Å; Y188-L211 HydrophobicContact CD2-CD1 3.65Å; Y188-L211 HydrophobicContact CE2-CD1 3.92Å; Y188-H219 AromaticContact CD1-CE1 3.42Å; Y188-H219 VanDerWaalsContact CD1-CE1 3.42Å; Y188-H219 WeakPolarHBondContact CD1-CE1 3.5Å; Y188-H219 AromaticContact CD2-CE1 3.66Å; Y188-H219 AromaticContact CD2-ND1 3.76Å; Y188-H219 AromaticContact CE1-CE1 3.89Å; Y188-H219 AromaticContact CG-CE1 3.28Å; Y188-H219 AromaticContact CG-ND1 3.77Å; Y188-K221 HydrophobicContact CE1-CB 3.97Å; Y188-K221 HydrophobicContact CE1-CD 3.9Å; Y188-K221 HydrophobicContact CE2-CB 4.15Å; Y188-K221 WeakPolarHBondContact OH-CB 3.26Å; Y188-K221 PolarHBondContact OH-O 3.47Å; Y188-A222 HydrophobicContact CD2-CB 3.8Å; Y188-A222 HydrophobicContact CE2-CB 4.04Å
189Q93.7Very high88.2Confident78 Ų7875.8 Ų75.836%0.36440%0.396SS..Hα-helixtrans-65.2-38.7178.4-70.7-173.928.300112.5E185 E186 V191 L192 R193E185-Q189 WeakPolarHBondContact O-CG 3.22Å; E185-Q189 PolarHBondContact O-N 3.15Å; E185-Q189 WeakPolarHBondContact OE1-CG 3.38Å; E185-Q189 PolarHBondContact OE1-NE2 2.81Å; E186-Q189 PolarHBondContact O-N 3.04Å; Q189-V191 PolarHBondContact O-N 3.09Å; Q189-L192 PolarHBondContact O-N 3.47Å; Q189-R193 WeakPolarHBondContact O-CG 3.46Å; Q189-R193 PolarHBondContact O-N 2.68Å
190S93.2Very high88.2Confident51 Ų5180.1 Ų80.136%0.35741%0.407SS..Hα-helixtrans-58.7-45.1173.9-179.30000111.8E186 Q187 Y188 K194E186-S190 WeakPolarHBondContact O-CB 3.31Å; E186-S190 PolarHBondContact O-N 3.16Å; Q187-S190 WeakPolarHBondContact O-CB 3.37Å; Q187-S190 PolarHBondContact O-N 3.04Å; Y188-S190 PolarHBondContact O-N 3.38Å; S190-K194 WeakPolarHBondContact O-CG 3.33Å; S190-K194 PolarHBondContact O-N 2.93Å
191V93.3Very high88Confident12 Ų1278.5 Ų78.57%0.07340%0.398CS..Hα-helixtrans-67.7-41175.61750000111.3Q187 Y188 Q189 K194 L195 L207 K210 L211Q187-V191 WeakPolarHBondContact O-CG2 3.42Å; Q187-V191 PolarHBondContact O-N 3.33Å; Y188-V191 PolarHBondContact O-N 2.93Å; Q189-V191 PolarHBondContact O-N 3.09Å; V191-K194 PolarHBondContact O-N 3.49Å; V191-L195 HydrophobicContact CG1-CD1 3.98Å; V191-L195 HydrophobicContact CG1-CG 4.33Å; V191-L195 WeakPolarHBondContact O-CG 3.49Å; V191-L195 PolarHBondContact O-N 3.02Å; V191-L207 HydrophobicContact CG1-CB 4.39Å; V191-L207 HydrophobicContact CG1-CD2 4.48Å; V191-L207 WeakPolarHBondContact CG1-O 3.4Å; V191-K210 HydrophobicContact CG2-CB 4.17Å; V191-L211 HydrophobicContact CG1-CB 4.25Å; V191-L211 HydrophobicContact CG1-CD1 4.11Å
192L91.8Very high88.1Confident40 Ų4079.4 Ų79.421%0.20941%0.405CS..Hα-helixtrans-61.9-44.5177.3-76.7-172.8000113.2Y188 Q189 K194 L195 N196 K225Y188-L192 HydrophobicContact CD1-CD1 3.94Å; Y188-L192 HydrophobicContact CD1-CG 4.43Å; Y188-L192 HydrophobicContact CE1-CD1 3.37Å; Y188-L192 HydrophobicContact CE1-CG 4.13Å; Y188-L192 HydrophobicContact CE2-CD1 4.31Å; Y188-L192 HydrophobicContact CE2-CD2 4.44Å; Y188-L192 HydrophobicContact CE2-CG 4.29Å; Y188-L192 WeakPolarHBondContact O-CG 3.41Å; Y188-L192 PolarHBondContact O-N 2.9Å; Q189-L192 PolarHBondContact O-N 3.47Å; L192-K194 VanDerWaalsContact C-N 3.28Å; L192-K194 PolarHBondContact O-N 2.88Å; L192-L195 HydrophobicContact CD2-CD1 4.37Å; L192-L195 PolarHBondContact O-N 3.42Å; L192-N196 PolarHBondContact O-N 3.48Å; L192-N196 PolarHBondContact O-OD1 3.18Å; L192-K225 HydrophobicContact CD2-CD 4.23Å
193R90.1Very high88.1Confident179 Ų17978.3 Ų78.368%0.67540%0.4SS*.Hα-helixtrans-59.4-41.8176.9-68.6176.1-160173.110111.1Q189 N196 G197Q189-R193 WeakPolarHBondContact O-CG 3.46Å; Q189-R193 PolarHBondContact O-N 2.68Å; R193-N196 PolarHBondContact O-N 2.86Å; R193-G197 PolarHBondContact O-N 3.37Å; R193-G197 VanDerWaalsContact O-N 3.12Å
194K91.3Very high88Confident120 Ų12075.1 Ų75.152%0.52239%0.385SS..Hα-helixtrans-68-35.8176.3-69.4169.4-177.1166.50113.1S190 V191 L192 S198 L207S190-K194 WeakPolarHBondContact O-CG 3.33Å; S190-K194 PolarHBondContact O-N 2.93Å; V191-K194 PolarHBondContact O-N 3.49Å; L192-K194 VanDerWaalsContact C-N 3.28Å; L192-K194 PolarHBondContact O-N 2.88Å; K194-S198 VanDerWaalsContact O-CB 3.27Å; K194-S198 WeakPolarHBondContact O-CB 3.43Å; K194-S198 PolarHBondContact O-N 2.94Å; K194-L207 HydrophobicContact CB-CD1 3.93Å; K194-L207 HydrophobicContact CB-CD2 3.73Å; K194-L207 HydrophobicContact CD-CD2 4.14Å
195L88.1Confident88.1Confident14 Ų1479.2 Ų79.27%0.07340%0.402CS..Hα-helixtrans-66.5-40175.2-80.7170.2000112.1V191 L192 K204 L207 Y208V191-L195 HydrophobicContact CG1-CD1 3.98Å; V191-L195 HydrophobicContact CG1-CG 4.33Å; V191-L195 WeakPolarHBondContact O-CG 3.49Å; V191-L195 PolarHBondContact O-N 3.02Å; L192-L195 HydrophobicContact CD2-CD1 4.37Å; L192-L195 PolarHBondContact O-N 3.42Å; L195-K204 HydrophobicContact CD2-CB 4.49Å; L195-K204 HydrophobicContact CD2-CG 4.34Å; L195-L207 HydrophobicContact CD2-CB 3.6Å; L195-L207 HydrophobicContact CD2-CD1 3.85Å; L195-L207 HydrophobicContact CD2-CG 4.38Å; L195-L207 HydrophobicContact CG-CB 3.96Å; L195-L207 HydrophobicContact CG-CD1 4.05Å; L195-Y208 HydrophobicContact CD2-CD2 4.18Å; L195-Y208 HydrophobicContact CD2-CE2 4.02Å
196N84.8Confident88.1Confident138 Ų13881.5 Ų81.574%0.73841%0.413SS*.Hα-helixtrans-70-39.6178.6-68.72.8000111.8L192 R193 S198L192-N196 PolarHBondContact O-N 3.48Å; L192-N196 PolarHBondContact O-OD1 3.18Å; R193-N196 PolarHBondContact O-N 2.86Å; N196-S198 VanDerWaalsContact C-N 3.32Å; N196-S198 PolarHBondContact O-N 3.25Å
197G78.9Confident88.1Confident73 Ų7375.2 Ų75.275%0.75338%0.384SS*.THydrogen-bonded Turntrans-80-1.8178.400000115.7R193R193-G197 PolarHBondContact O-N 3.37Å; R193-G197 VanDerWaalsContact O-N 3.12Å
198S82.4Confident88.1Confident11 Ų1172.1 Ų72.18%0.07737%0.369CS..  trans-109.5127.1-179-176.80000111.6K194 N196 Q203 K204K194-S198 VanDerWaalsContact O-CB 3.27Å; K194-S198 WeakPolarHBondContact O-CB 3.43Å; K194-S198 PolarHBondContact O-N 2.94Å; N196-S198 VanDerWaalsContact C-N 3.32Å; N196-S198 PolarHBondContact O-N 3.25Å; S198-Q203 WeakPolarHBondContact OG-CB 3.49Å; S198-Q203 PolarHBondContact OG-OE1 3.24Å; S198-K204 WeakPolarHBondContact O-CE 3.28Å; S198-K204 PolarHBondContact O-NZ 2.92Å
199T73.6Confident88.1Confident96 Ų9676.6 Ų76.659%0.58939%0.39SS*.  trans-91.2-29.7171.452.40000112.5K201T199-K201 PolarHBondContact O-N 3.39Å
200R82.4Confident88Confident172 Ų17277.1 Ų77.165%0.64939%0.392SS*.  trans-71.9123.4-168.5-63.2-178.5178.3-176.5-0.3113.4A202 Q203 K204R200-A202 VanDerWaalsContact C-N 3.29Å; R200-A202 PolarHBondContact O-N 3.42Å; R200-Q203 HydrophobicContact CB-CB 4.32Å; R200-Q203 HydrophobicContact CB-CG 4.24Å; R200-Q203 PolarHBondContact O-N 3.4Å; R200-Q203 VanDerWaalsContact O-N 3.12Å; R200-K204 PolarHBondContact O-N 2.83Å; R200-K204 VanDerWaalsContact O-N 3.1Å
201K82.3Confident88.1Confident86 Ų8674.7 Ų74.737%0.37438%0.375SS..Hα-helixtrans-49.9-44177.9-162.9178.4-168.1-1760112.7T199 K204 K205 Y235 E569T199-K201 PolarHBondContact O-N 3.39Å; K201-K204 PolarHBondContact O-N 2.89Å; K201-K205 WeakPolarHBondContact O-CG 3.5Å; K201-K205 PolarHBondContact O-N 3Å; K201-K205 VanDerWaalsContact O-N 3.13Å; K201-Y235 HydrophobicContact CG-CD1 3.96Å; K201-Y235 HydrophobicContact CG-CE1 4.02Å; K201-E569 IonicContact NZ-OE1 2.71Å; K201-E569 PolarHBondContact NZ-OE1 3.01Å; K201-E569 IonicContact NZ-OE2 3.53Å; K201-E569 PolarHBondContact NZ-OE2 3.05Å
202A86.1Confident88.1Confident78 Ų7875.9 Ų75.965%0.64538%0.38SS*.Hα-helixtrans-63.6-44.1179.500000113.9R200 K204 K205 E206R200-A202 VanDerWaalsContact C-N 3.29Å; R200-A202 PolarHBondContact O-N 3.42Å; A202-K204 VanDerWaalsContact C-N 3.32Å; A202-K204 PolarHBondContact O-N 2.72Å; A202-K205 PolarHBondContact O-N 2.98Å; A202-E206 PolarHBondContact O-N 3.38Å
203Q88.3Confident88.2Confident85 Ų8580.4 Ų80.440%0.39740%0.398SS..Hα-helixtrans-66-36.9176.4-71.9177.9-19.500111.4S198 R200 K205 E206 L207S198-Q203 WeakPolarHBondContact OG-CB 3.49Å; S198-Q203 PolarHBondContact OG-OE1 3.24Å; R200-Q203 HydrophobicContact CB-CB 4.32Å; R200-Q203 HydrophobicContact CB-CG 4.24Å; R200-Q203 PolarHBondContact O-N 3.4Å; R200-Q203 VanDerWaalsContact O-N 3.12Å; Q203-K205 VanDerWaalsContact C-N 3.34Å; Q203-K205 PolarHBondContact O-N 2.86Å; Q203-E206 PolarHBondContact O-N 3.38Å; Q203-L207 VanDerWaalsContact O-CG 3.31Å; Q203-L207 WeakPolarHBondContact O-CG 3.48Å; Q203-L207 PolarHBondContact O-N 3.02Å; Q203-L207 VanDerWaalsContact O-N 3.07Å
204K88.8Confident88.4Confident35 Ų3572 Ų7215%0.15237%0.367CS..Hα-helixtrans-60.1-42.2173.8-68.9178.5-179.3171.80111.5L195 S198 R200 K201 A202 E206 L207 Y208 Y235L195-K204 HydrophobicContact CD2-CB 4.49Å; L195-K204 HydrophobicContact CD2-CG 4.34Å; S198-K204 WeakPolarHBondContact O-CE 3.28Å; S198-K204 PolarHBondContact O-NZ 2.92Å; R200-K204 PolarHBondContact O-N 2.83Å; R200-K204 VanDerWaalsContact O-N 3.1Å; K201-K204 PolarHBondContact O-N 2.89Å; A202-K204 VanDerWaalsContact C-N 3.32Å; A202-K204 PolarHBondContact O-N 2.72Å; K204-E206 PolarHBondContact O-N 2.68Å; K204-L207 PolarHBondContact O-N 3.12Å; K204-Y208 WeakPolarHBondContact O-CD2 3.44Å; K204-Y208 PolarHBondContact O-N 3.19Å; K204-Y235 HydrophobicContact CB-CD1 3.6Å; K204-Y235 HydrophobicContact CB-CD2 4.38Å; K204-Y235 HydrophobicContact CB-CE1 3.91Å; K204-Y235 HydrophobicContact CB-CG 3.87Å; K204-Y235 HydrophobicContact CD-CD1 4.13Å; K204-Y235 HydrophobicContact CD-CE1 3.5Å; K204-Y235 VanDerWaalsContact CD-CE1 3.5Å; K204-Y235 HydrophobicContact CD-CE2 4.07Å; K204-Y235 VanDerWaalsContact CD-CZ 3.46Å; K204-Y235 HydrophobicContact CG-CD1 4.5Å; K204-Y235 HydrophobicContact CG-CE1 4.32Å
205K90.4Very high88.4Confident88 Ų8866.8 Ų66.838%0.38335%0.346SS..Hα-helixtrans-55.5-52.5175.8-60-155.9172.5-172.60112K201 A202 Q203 L207 Y208 E209 Y235K201-K205 WeakPolarHBondContact O-CG 3.5Å; K201-K205 PolarHBondContact O-N 3Å; K201-K205 VanDerWaalsContact O-N 3.13Å; A202-K205 PolarHBondContact O-N 2.98Å; Q203-K205 VanDerWaalsContact C-N 3.34Å; Q203-K205 PolarHBondContact O-N 2.86Å; K205-L207 VanDerWaalsContact C-N 3.28Å; K205-L207 PolarHBondContact O-N 2.92Å; K205-Y208 PolarHBondContact O-N 3.05Å; K205-Y208 VanDerWaalsContact O-N 3.08Å; K205-E209 PolarHBondContact O-N 3.18Å; K205-Y235 WeakPolarHBondContact CG-O 3.4Å
206E91.2Very high88.5Confident96 Ų9672.2 Ų72.245%0.44937%0.371SS..Hα-helixtrans-60-35.8178.4-165.5-156.4146.500112.9A202 Q203 K204 E209 K210A202-E206 PolarHBondContact O-N 3.38Å; Q203-E206 PolarHBondContact O-N 3.38Å; K204-E206 PolarHBondContact O-N 2.68Å; E206-E209 PolarHBondContact O-N 3.47Å; E206-K210 WeakPolarHBondContact O-CG 3.26Å; E206-K210 PolarHBondContact O-N 2.95Å; E206-K210 VanDerWaalsContact O-N 3.15Å; E206-K210 WeakPolarHBondContact OE1-CE 3.36Å; E206-K210 IonicContact OE1-NZ 3.76Å; E206-K210 PolarHBondContact OE1-NZ 2.96Å
207L93.5Very high88.7Confident15 Ų1571 Ų718%0.07937%0.365CS..Hα-helixtrans-71.2-33.6176-70.1169.3000112.5V191 K194 L195 Q203 K204 K205 K210 L211V191-L207 HydrophobicContact CG1-CB 4.39Å; V191-L207 HydrophobicContact CG1-CD2 4.48Å; V191-L207 WeakPolarHBondContact CG1-O 3.4Å; K194-L207 HydrophobicContact CB-CD1 3.93Å; K194-L207 HydrophobicContact CB-CD2 3.73Å; K194-L207 HydrophobicContact CD-CD2 4.14Å; L195-L207 HydrophobicContact CD2-CB 3.6Å; L195-L207 HydrophobicContact CD2-CD1 3.85Å; L195-L207 HydrophobicContact CD2-CG 4.38Å; L195-L207 HydrophobicContact CG-CB 3.96Å; L195-L207 HydrophobicContact CG-CD1 4.05Å; Q203-L207 VanDerWaalsContact O-CG 3.31Å; Q203-L207 WeakPolarHBondContact O-CG 3.48Å; Q203-L207 PolarHBondContact O-N 3.02Å; Q203-L207 VanDerWaalsContact O-N 3.07Å; K204-L207 PolarHBondContact O-N 3.12Å; K205-L207 VanDerWaalsContact C-N 3.28Å; K205-L207 PolarHBondContact O-N 2.92Å; L207-K210 PolarHBondContact O-N 3.06Å; L207-L211 WeakPolarHBondContact O-CB 3.39Å; L207-L211 PolarHBondContact O-N 3.47Å
208Y93Very high89.1Confident22 Ų2269.1 Ų69.19%0.08635%0.346CS..Hα-helixtrans-70.7-33.7172.8-89.8-81.2000112.5L195 K204 K205 K210 L211 L212 K225 A229 Y235 M236L195-Y208 HydrophobicContact CD2-CD2 4.18Å; L195-Y208 HydrophobicContact CD2-CE2 4.02Å; K204-Y208 WeakPolarHBondContact O-CD2 3.44Å; K204-Y208 PolarHBondContact O-N 3.19Å; K205-Y208 PolarHBondContact O-N 3.05Å; K205-Y208 VanDerWaalsContact O-N 3.08Å; Y208-K210 VanDerWaalsContact C-N 3.34Å; Y208-L211 HydrophobicContact CD1-CD2 4.05Å; Y208-L211 HydrophobicContact CE1-CD2 4.05Å; Y208-L211 WeakPolarHBondContact O-CB 3.45Å; Y208-L211 PolarHBondContact O-N 3.35Å; Y208-L212 PolarHBondContact O-N 2.92Å; Y208-K225 HydrophobicContact CE1-CG 4.19Å; Y208-K225 WeakPolarHBondContact OH-CE 3.48Å; Y208-A229 HydrophobicContact CD1-CB 3.89Å; Y208-A229 HydrophobicContact CE1-CB 3.71Å; Y208-Y235 AromaticContact CD2-CD2 3.96Å; Y208-Y235 HydrophobicContact CD2-CD2 3.96Å; Y208-Y235 HydrophobicContact CD2-CG 4.16Å; Y208-Y235 AromaticContact CE2-CD2 3.45Å; Y208-Y235 HydrophobicContact CE2-CD2 3.45Å; Y208-Y235 VanDerWaalsContact CE2-CD2 3.45Å; Y208-Y235 HydrophobicContact CE2-CE2 4.22Å; Y208-Y235 HydrophobicContact CE2-CG 4.12Å; Y208-M236 HydrophobicContact CG-CG 4.4Å
209E92.3Very high89.5Confident119 Ų11969.7 Ų69.756%0.55635%0.347SS*.Hα-helixtrans-63.3-39169.9-68.7174.1-17200112.2K205 E206 L212 K213K205-E209 PolarHBondContact O-N 3.18Å; E206-E209 PolarHBondContact O-N 3.47Å; E209-L212 PolarHBondContact O-N 3.34Å; E209-K213 PolarHBondContact O-N 2.98Å
210K93.3Very high90.3Very high89 Ų8970 Ų7039%0.38734%0.342SS..Hα-helixtrans-66.1-38.5172-72.8166.2179.1168.80111.7V191 E206 L207 Y208 L212 K213 V214V191-K210 HydrophobicContact CG2-CB 4.17Å; E206-K210 WeakPolarHBondContact O-CG 3.26Å; E206-K210 PolarHBondContact O-N 2.95Å; E206-K210 VanDerWaalsContact O-N 3.15Å; E206-K210 WeakPolarHBondContact OE1-CE 3.36Å; E206-K210 IonicContact OE1-NZ 3.76Å; E206-K210 PolarHBondContact OE1-NZ 2.96Å; L207-K210 PolarHBondContact O-N 3.06Å; Y208-K210 VanDerWaalsContact C-N 3.34Å; K210-L212 VanDerWaalsContact C-N 3.33Å; K210-L212 PolarHBondContact O-N 2.84Å; K210-K213 PolarHBondContact O-N 3.37Å; K210-V214 PolarHBondContact O-N 2.99Å
211L94.4Very high90.8Very high0 Ų066.3 Ų66.30%033%0.331CS..Hα-helixtrans-65.9-33.8176.4-164.467.7000112.6Y188 V191 L207 Y208 V214 A215 A222 K225 V226Y188-L211 HydrophobicContact CD2-CD1 3.65Å; Y188-L211 HydrophobicContact CE2-CD1 3.92Å; V191-L211 HydrophobicContact CG1-CB 4.25Å; V191-L211 HydrophobicContact CG1-CD1 4.11Å; L207-L211 WeakPolarHBondContact O-CB 3.39Å; L207-L211 PolarHBondContact O-N 3.47Å; Y208-L211 HydrophobicContact CD1-CD2 4.05Å; Y208-L211 HydrophobicContact CE1-CD2 4.05Å; Y208-L211 WeakPolarHBondContact O-CB 3.45Å; Y208-L211 PolarHBondContact O-N 3.35Å; L211-V214 PolarHBondContact O-N 3.37Å; L211-A215 PolarHBondContact O-N 3.44Å; L211-A222 HydrophobicContact CD1-CB 3.99Å; L211-A222 HydrophobicContact CG-CB 4.33Å; L211-K225 HydrophobicContact CD2-CB 4.07Å; L211-K225 HydrophobicContact CD2-CD 3.98Å; L211-K225 HydrophobicContact CD2-CG 3.93Å; L211-V226 HydrophobicContact CB-CG2 4.05Å; L211-V226 HydrophobicContact CD2-CG2 3.87Å; L211-V226 HydrophobicContact CG-CG2 3.71Å
212L94.1Very high91.3Very high37 Ų3762.2 Ų62.219%0.19431%0.313CS..Hα-helixtrans-60.4-43173.5174.862.1000111.5Y208 E209 K210 V214 A215 E216 V226 M230Y208-L212 PolarHBondContact O-N 2.92Å; E209-L212 PolarHBondContact O-N 3.34Å; K210-L212 VanDerWaalsContact C-N 3.33Å; K210-L212 PolarHBondContact O-N 2.84Å; L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 3.45Å; L212-A215 WeakPolarHBondContact O-CB 3.44Å; L212-A215 PolarHBondContact O-N 3Å; L212-A215 VanDerWaalsContact O-N 3.12Å; L212-E216 HydrophobicContact CD1-CG 4.39Å; L212-E216 WeakPolarHBondContact O-CG 3.42Å; L212-E216 PolarHBondContact O-N 3.01Å; L212-V226 HydrophobicContact CB-CG1 4.41Å; L212-V226 HydrophobicContact CD1-CG1 3.75Å; L212-M230 HydrophobicContact CD1-CE 3.87Å; L212-M230 HydrophobicContact CD2-CE 4.36Å
213K92.8Very high91.8Very high135 Ų13559 Ų5959%0.58729%0.285SS*.Hα-helixtrans-61.7-40.4175.9-62.5179.4-177.9-1770112.2E209 K210 A215 E216 N217E209-K213 PolarHBondContact O-N 2.98Å; K210-K213 PolarHBondContact O-N 3.37Å; K213-A215 VanDerWaalsContact C-N 3.32Å; K213-A215 PolarHBondContact O-N 3.38Å; K213-E216 PolarHBondContact O-N 3.07Å; K213-N217 PolarHBondContact O-N 3.25Å; K213-N217 VanDerWaalsContact O-N 3.07Å; K213-N217 PolarHBondContact O-OD1 2.97Å
214V93.8Very high92.1Very high3 Ų356 Ų562%0.01827%0.271CS..Hα-helixtrans-66.9-33.2175.4-179.30000111.7A184 Q187 K210 L211 L212 H219 A222A184-V214 HydrophobicContact CB-CG1 4.47Å; A184-V214 WeakPolarHBondContact O-CG1 3.42Å; Q187-V214 HydrophobicContact CB-CG2 3.86Å; K210-V214 PolarHBondContact O-N 2.99Å; L211-V214 PolarHBondContact O-N 3.37Å; L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 3.45Å; V214-H219 HydrophobicContact CG1-CB 3.86Å; V214-H219 WeakPolarHBondContact O-CB 3.3Å; V214-H219 PolarHBondContact O-N 3.47Å; V214-A222 HydrophobicContact CB-CB 4.23Å; V214-A222 HydrophobicContact CG1-CB 3.91Å
215A93.1Very high92.3Very high11 Ų1157.3 Ų57.39%0.09128%0.277CS..Hα-helixtrans-70.2-35.7172.300000112.9L211 L212 K213 N217 G218 A222 T223 V226L211-A215 PolarHBondContact O-N 3.44Å; L212-A215 WeakPolarHBondContact O-CB 3.44Å; L212-A215 PolarHBondContact O-N 3Å; L212-A215 VanDerWaalsContact O-N 3.12Å; K213-A215 VanDerWaalsContact C-N 3.32Å; K213-A215 PolarHBondContact O-N 3.38Å; A215-N217 VanDerWaalsContact C-N 3.31Å; A215-G218 PolarHBondContact O-N 3.12Å; A215-A222 HydrophobicContact CB-CB 4.11Å; A215-T223 PolarHBondContact O-OG1 3.35Å; A215-V226 HydrophobicContact CB-CB 4.41Å; A215-V226 HydrophobicContact CB-CG2 4.15Å
216E90.3Very high92.5Very high127 Ų12753.1 Ų53.159%0.59326%0.259SS*.Hα-helixtrans-65.7-33.6174.3-73.2169.9172.800111.7L212 K213 G218L212-E216 HydrophobicContact CD1-CG 4.39Å; L212-E216 WeakPolarHBondContact O-CG 3.42Å; L212-E216 PolarHBondContact O-N 3.01Å; K213-E216 PolarHBondContact O-N 3.07Å; E216-G218 PolarHBondContact O-N 2.89Å; E216-G218 VanDerWaalsContact O-N 3.11Å
217N87.8Confident92.7Very high112 Ų11248.6 Ų48.660%0.59924%0.237SC*.THydrogen-bonded Turntrans-693.5168.6-65.7-2.5000114K213 A215K213-N217 PolarHBondContact O-N 3.25Å; K213-N217 VanDerWaalsContact O-N 3.07Å; K213-N217 PolarHBondContact O-OD1 2.97Å; A215-N217 VanDerWaalsContact C-N 3.31Å
218G86.4Confident92.8Very high35 Ų3549.7 Ų49.736%0.36124%0.241SC..THydrogen-bonded Turntrans90.54.8173.200000116.2A215 E216 Q220A215-G218 PolarHBondContact O-N 3.12Å; E216-G218 PolarHBondContact O-N 2.89Å; E216-G218 VanDerWaalsContact O-N 3.11Å; G218-Q220 PolarHBondContact O-N 3.49Å; G218-Q220 VanDerWaalsContact O-N 3.12Å
219H91.5Very high92.8Very high23 Ų2348.7 Ų48.711%0.10624%0.237CC..  trans-73104.9-176.3-177.4-94.2000113.1A184 E185 Y188 V214 K221 A222 T223A184-H219 HydrophobicContact CB-CB 4.16Å; E185-H219 IonicContact OE2-NE2 2.92Å; E185-H219 PolarHBondContact OE2-NE2 3.23Å; Y188-H219 AromaticContact CD1-CE1 3.42Å; Y188-H219 VanDerWaalsContact CD1-CE1 3.42Å; Y188-H219 WeakPolarHBondContact CD1-CE1 3.5Å; Y188-H219 AromaticContact CD2-CE1 3.66Å; Y188-H219 AromaticContact CD2-ND1 3.76Å; Y188-H219 AromaticContact CE1-CE1 3.89Å; Y188-H219 AromaticContact CG-CE1 3.28Å; Y188-H219 AromaticContact CG-ND1 3.77Å; V214-H219 HydrophobicContact CG1-CB 3.86Å; V214-H219 WeakPolarHBondContact O-CB 3.3Å; V214-H219 PolarHBondContact O-N 3.47Å; H219-K221 PolarHBondContact O-N 3.44Å; H219-A222 HydrophobicContact CB-CB 4.19Å; H219-A222 WeakPolarHBondContact ND1-CB 3.44Å; H219-A222 PolarHBondContact ND1-N 3Å; H219-A222 WeakPolarHBondContact O-CA 3.27Å; H219-A222 WeakPolarHBondContact O-CB 3.27Å; H219-A222 PolarHBondContact O-N 3.3Å; H219-T223 PolarHBondContact O-N 3.44Å; H219-T223 PolarHBondContact O-OG1 3.42Å
220Q91.1Very high92.9Very high103 Ų10343.7 Ų43.748%0.48121%0.214SC..Hα-helixtrans-46.6-51.8-171.2-60.9-173.1-40.900115G218 A222 T223 E224 L250 E253G218-Q220 PolarHBondContact O-N 3.49Å; G218-Q220 VanDerWaalsContact O-N 3.12Å; Q220-A222 PolarHBondContact O-N 3.32Å; Q220-T223 WeakPolarHBondContact O-CB 3.43Å; Q220-T223 PolarHBondContact O-N 2.9Å; Q220-E224 PolarHBondContact O-N 3.2Å; Q220-L250 HydrophobicContact CB-CD2 4.24Å; Q220-E253 WeakPolarHBondContact CG-OE2 3.41Å; Q220-E253 PolarHBondContact NE2-OE2 3.41Å
221K92.4Very high93Very high93 Ų9339.4 Ų39.440%0.40420%0.196SC..Hα-helixtrans-68.9-22.4-177.4-47.5167.6-170.1150.50113E185 Y188 H219 K225E185-K221 IonicContact OE1-NZ 3.21Å; E185-K221 IonicContact OE2-NZ 2.68Å; E185-K221 PolarHBondContact OE2-NZ 3.21Å; Y188-K221 HydrophobicContact CE1-CB 3.97Å; Y188-K221 HydrophobicContact CE1-CD 3.9Å; Y188-K221 HydrophobicContact CE2-CB 4.15Å; Y188-K221 WeakPolarHBondContact OH-CB 3.26Å; Y188-K221 PolarHBondContact OH-O 3.47Å; H219-K221 PolarHBondContact O-N 3.44Å; K221-K225 PolarHBondContact O-N 2.9Å
222A93.9Very high93Very high0 Ų039.6 Ų39.60%020%0.196CC..Hα-helixtrans-75.8-49.2172.500000109.1Y188 L211 V214 A215 H219 Q220 E224 K225 V226Y188-A222 HydrophobicContact CD2-CB 3.8Å; Y188-A222 HydrophobicContact CE2-CB 4.04Å; L211-A222 HydrophobicContact CD1-CB 3.99Å; L211-A222 HydrophobicContact CG-CB 4.33Å; V214-A222 HydrophobicContact CB-CB 4.23Å; V214-A222 HydrophobicContact CG1-CB 3.91Å; A215-A222 HydrophobicContact CB-CB 4.11Å; H219-A222 HydrophobicContact CB-CB 4.19Å; H219-A222 WeakPolarHBondContact ND1-CB 3.44Å; H219-A222 PolarHBondContact ND1-N 3Å; H219-A222 WeakPolarHBondContact O-CA 3.27Å; H219-A222 WeakPolarHBondContact O-CB 3.27Å; H219-A222 PolarHBondContact O-N 3.3Å; Q220-A222 PolarHBondContact O-N 3.32Å; A222-E224 VanDerWaalsContact C-N 3.31Å; A222-E224 PolarHBondContact O-N 2.92Å; A222-K225 PolarHBondContact O-N 3.44Å; A222-V226 WeakPolarHBondContact O-CB 3.2Å; A222-V226 VanDerWaalsContact O-CG2 3.29Å; A222-V226 WeakPolarHBondContact O-CG2 3.29Å; A222-V226 PolarHBondContact O-N 3.47Å
223T94.9Very high92.7Very high11 Ų1138.5 Ų38.57%0.06719%0.194CC..Hα-helixtrans-55.2-43.2175.6-45.30000112A215 H219 Q220 K225 A227 M246 L250A215-T223 PolarHBondContact O-OG1 3.35Å; H219-T223 PolarHBondContact O-N 3.44Å; H219-T223 PolarHBondContact O-OG1 3.42Å; Q220-T223 WeakPolarHBondContact O-CB 3.43Å; Q220-T223 PolarHBondContact O-N 2.9Å; T223-K225 PolarHBondContact O-N 2.9Å; T223-A227 WeakPolarHBondContact O-CB 3.22Å; T223-A227 PolarHBondContact O-N 2.91Å; T223-M246 HydrophobicContact CG2-CB 4.06Å; T223-M246 HydrophobicContact CG2-CG 4.2Å; T223-M246 HydrophobicContact CG2-SD 4.16Å; T223-L250 HydrophobicContact CG2-CD1 3.84Å; T223-L250 HydrophobicContact CG2-CD2 4.41Å; T223-L250 HydrophobicContact CG2-CG 4.14Å
224E94.4Very high92.4Very high23 Ų2333.4 Ų33.411%0.10717%0.173CC..Hα-helixtrans-55.4-51.3173.2-75.7-174.6162.200112.2Q220 A222 A227 Y228 L250 S255 K257Q220-E224 PolarHBondContact O-N 3.2Å; A222-E224 VanDerWaalsContact C-N 3.31Å; A222-E224 PolarHBondContact O-N 2.92Å; E224-A227 PolarHBondContact O-N 3.4Å; E224-Y228 WeakPolarHBondContact O-CD2 3.45Å; E224-Y228 PolarHBondContact O-N 3.36Å; E224-Y228 VanDerWaalsContact O-N 3.1Å; E224-L250 HydrophobicContact CB-CD1 4.42Å; E224-L250 HydrophobicContact CG-CD1 3.87Å; E224-L250 HydrophobicContact CG-CD2 4.38Å; E224-S255 WeakPolarHBondContact OE1-CB 3.39Å; E224-S255 PolarHBondContact OE1-OG 2.88Å; E224-K257 WeakPolarHBondContact OE2-CD 3.42Å; E224-K257 WeakPolarHBondContact OE2-CE 3.39Å; E224-K257 IonicContact OE2-NZ 3.32Å; E224-K257 PolarHBondContact OE2-NZ 3.07Å
225K93.5Very high92Very high62 Ų6236.9 Ų36.927%0.2719%0.186SC..Hα-helixtrans-71.1-36.3-173.9-170.4167.8-178176.50111.8L192 Y208 L211 K221 A222 T223 A229L192-K225 HydrophobicContact CD2-CD 4.23Å; Y208-K225 HydrophobicContact CE1-CG 4.19Å; Y208-K225 WeakPolarHBondContact OH-CE 3.48Å; L211-K225 HydrophobicContact CD2-CB 4.07Å; L211-K225 HydrophobicContact CD2-CD 3.98Å; L211-K225 HydrophobicContact CD2-CG 3.93Å; K221-K225 PolarHBondContact O-N 2.9Å; A222-K225 PolarHBondContact O-N 3.44Å; T223-K225 PolarHBondContact O-N 2.9Å; K225-A229 WeakPolarHBondContact O-CB 3.13Å; K225-A229 PolarHBondContact O-N 3.21Å; K225-A229 VanDerWaalsContact O-N 3.11Å
226V94.9Very high91.8Very high0 Ų037.7 Ų37.70%019%0.188CC..Hα-helixtrans-68.3-41.5173.7171.80000111.3L211 L212 A215 A222 A229 M230 M236 M246L211-V226 HydrophobicContact CB-CG2 4.05Å; L211-V226 HydrophobicContact CD2-CG2 3.87Å; L211-V226 HydrophobicContact CG-CG2 3.71Å; L212-V226 HydrophobicContact CB-CG1 4.41Å; L212-V226 HydrophobicContact CD1-CG1 3.75Å; A215-V226 HydrophobicContact CB-CB 4.41Å; A215-V226 HydrophobicContact CB-CG2 4.15Å; A222-V226 WeakPolarHBondContact O-CB 3.2Å; A222-V226 VanDerWaalsContact O-CG2 3.29Å; A222-V226 WeakPolarHBondContact O-CG2 3.29Å; A222-V226 PolarHBondContact O-N 3.47Å; V226-A229 PolarHBondContact O-N 2.68Å; V226-M230 HydrophobicContact CG1-CE 3.94Å; V226-M230 WeakPolarHBondContact O-CG 3.45Å; V226-M230 PolarHBondContact O-N 3.23Å; V226-M236 HydrophobicContact CG1-CE 4.1Å; V226-M246 HydrophobicContact CG1-CE 4.38Å; V226-M246 HydrophobicContact CG1-SD 4.39Å
227A95.7Very high91.7Very high0 Ų038.5 Ų38.50%020%0.197CC..Hα-helixtrans-65.4-40178.100000112.5T223 E224 M230 L231 M246 F247T223-A227 WeakPolarHBondContact O-CB 3.22Å; T223-A227 PolarHBondContact O-N 2.91Å; E224-A227 PolarHBondContact O-N 3.4Å; A227-M230 PolarHBondContact O-N 2.92Å; A227-L231 WeakPolarHBondContact O-CB 3.45Å; A227-L231 PolarHBondContact O-N 2.71Å; A227-M246 HydrophobicContact CB-CB 3.93Å; A227-M246 HydrophobicContact CB-CE 3.77Å; A227-M246 HydrophobicContact CB-SD 4.42Å; A227-F247 HydrophobicContact CB-CD1 3.92Å; A227-F247 HydrophobicContact CB-CD2 4.48Å; A227-F247 HydrophobicContact CB-CE1 3.48Å; A227-F247 VanDerWaalsContact CB-CE1 3.48Å; A227-F247 HydrophobicContact CB-CE2 4.08Å; A227-F247 HydrophobicContact CB-CG 4.4Å; A227-F247 HydrophobicContact CB-CZ 3.57Å
228Y94.7Very high91.8Very high38 Ų3835.9 Ų35.915%0.14918%0.181CC..Hα-helixtrans-65.6-39.1171.2-78.7-61000113E224 L231 F232 F247 K257 M260 A261E224-Y228 WeakPolarHBondContact O-CD2 3.45Å; E224-Y228 PolarHBondContact O-N 3.36Å; E224-Y228 VanDerWaalsContact O-N 3.1Å; Y228-L231 HydrophobicContact CD1-CD2 4.42Å; Y228-L231 PolarHBondContact O-N 3.13Å; Y228-F232 HydrophobicContact CD1-CD2 4.35Å; Y228-F232 AromaticContact CD1-CE2 3.56Å; Y228-F232 HydrophobicContact CD1-CE2 3.56Å; Y228-F232 HydrophobicContact CD1-CZ 4.24Å; Y228-F232 HydrophobicContact CE1-CE2 4.31Å; Y228-F232 HydrophobicContact CG-CE2 4.37Å; Y228-F232 VanDerWaalsContact O-CD2 3.28Å; Y228-F232 WeakPolarHBondContact O-CD2 3.4Å; Y228-F232 PolarHBondContact O-N 3.09Å; Y228-F247 HydrophobicContact CD1-CE1 4.3Å; Y228-F247 AromaticContact CD1-CZ 3.78Å; Y228-F247 HydrophobicContact CD1-CZ 3.78Å; Y228-F247 HydrophobicContact CD2-CE1 4.29Å; Y228-F247 HydrophobicContact CD2-CZ 4.45Å; Y228-F247 HydrophobicContact CE1-CE1 4.21Å; Y228-F247 AromaticContact CE1-CZ 3.94Å; Y228-F247 HydrophobicContact CE1-CZ 3.94Å; Y228-F247 HydrophobicContact CE2-CE1 4.19Å; Y228-F247 HydrophobicContact CG-CE1 4.35Å; Y228-F247 HydrophobicContact CG-CZ 4.06Å; Y228-K257 HydrophobicContact CE2-CB 4.02Å; Y228-K257 HydrophobicContact CE2-CD 4.32Å; Y228-K257 PolarHBondContact OH-O 3.47Å; Y228-M260 HydrophobicContact CE1-CE 4.32Å; Y228-M260 WeakPolarHBondContact OH-CE 3.23Å; Y228-A261 HydrophobicContact CE1-CB 3.91Å
229A93.8Very high92.2Very high1 Ų137.2 Ų37.21%0.00818%0.18CC..Hα-helixtrans-62-44175.200000112.1Y208 K225 V226 L231 G233 D234 M236Y208-A229 HydrophobicContact CD1-CB 3.89Å; Y208-A229 HydrophobicContact CE1-CB 3.71Å; K225-A229 WeakPolarHBondContact O-CB 3.13Å; K225-A229 PolarHBondContact O-N 3.21Å; K225-A229 VanDerWaalsContact O-N 3.11Å; V226-A229 PolarHBondContact O-N 2.68Å; A229-L231 VanDerWaalsContact C-N 3.32Å; A229-L231 PolarHBondContact O-N 3.35Å; A229-G233 CarbonylContact O-C 3.34Å; A229-G233 WeakPolarHBondContact O-CA 3.09Å; A229-G233 PolarHBondContact O-N 3.35Å; A229-D234 HydrophobicContact CB-CB 4.26Å; A229-D234 WeakPolarHBondContact CB-O 3.31Å; A229-D234 PolarHBondContact O-N 3.38Å; A229-D234 VanDerWaalsContact O-N 3.15Å; A229-M236 HydrophobicContact CB-CE 3.97Å
230M94.4Very high92.3Very high14 Ų1437.3 Ų37.37%0.06918%0.182CC..Hα-helixtrans-64.5-32.1173.1-69.9-169-175.800113.4L212 V226 A227 M236 Q238 N239 K242 A243 M246L212-M230 HydrophobicContact CD1-CE 3.87Å; L212-M230 HydrophobicContact CD2-CE 4.36Å; V226-M230 HydrophobicContact CG1-CE 3.94Å; V226-M230 WeakPolarHBondContact O-CG 3.45Å; V226-M230 PolarHBondContact O-N 3.23Å; A227-M230 PolarHBondContact O-N 2.92Å; M230-M236 HydrophobicContact CB-CE 4.43Å; M230-M236 HydrophobicContact CE-CE 3.73Å; M230-M236 HydrophobicContact CG-CE 3.32Å; M230-M236 HydrophobicContact SD-CE 4.42Å; M230-Q238 CarbonylContact O-C 3.15Å; M230-Q238 WeakPolarHBondContact O-CA 3.38Å; M230-N239 PolarHBondContact O-N 3.3Å; M230-K242 HydrophobicContact CE-CD 4.12Å; M230-K242 HydrophobicContact SD-CB 4.21Å; M230-K242 HydrophobicContact SD-CD 3.81Å; M230-K242 HydrophobicContact SD-CG 3.93Å; M230-A243 HydrophobicContact CB-CB 4.04Å; M230-M246 HydrophobicContact CE-CE 4.32Å; M230-M246 HydrophobicContact CG-CE 4.29Å; M230-M246 HydrophobicContact SD-CE 3.43Å; M230-M246 WeakPolarHBondContact SD-CE 3.47Å
231L95.3Very high92.4Very high0 Ų035.8 Ų35.80%018%0.18CC..Hα-helixtrans-71-43.7178.4179.760.5000112.4A227 Y228 A229 Q238 V240 A243 F247 F264 L265 V577A227-L231 WeakPolarHBondContact O-CB 3.45Å; A227-L231 PolarHBondContact O-N 2.71Å; Y228-L231 HydrophobicContact CD1-CD2 4.42Å; Y228-L231 PolarHBondContact O-N 3.13Å; A229-L231 VanDerWaalsContact C-N 3.32Å; A229-L231 PolarHBondContact O-N 3.35Å; L231-Q238 PolarHBondContact O-NE2 2.87Å; L231-V240 HydrophobicContact CD1-CG1 4.47Å; L231-A243 HydrophobicContact CB-CB 4.17Å; L231-F247 HydrophobicContact CB-CE2 4.35Å; L231-F247 HydrophobicContact CD2-CE2 4Å; L231-F247 HydrophobicContact CD2-CZ 4.38Å; L231-F264 HydrophobicContact CD1-CE1 4.47Å; L231-F264 HydrophobicContact CD2-CD1 4.07Å; L231-F264 HydrophobicContact CD2-CE1 4.08Å; L231-L265 HydrophobicContact CD1-CD2 3.72Å; L231-V577 HydrophobicContact CD1-CG1 3.97Å; L231-V577 HydrophobicContact CG-CG1 4.09Å
232F93.6Very high92.4Very high4 Ų435 Ų352%0.01818%0.176CC..Hα-helixtrans-97.5-12.8-172.8-62.7-51.2000115.2Y228 F264 A574 V577 Q578 L581Y228-F232 HydrophobicContact CD1-CD2 4.35Å; Y228-F232 AromaticContact CD1-CE2 3.56Å; Y228-F232 HydrophobicContact CD1-CE2 3.56Å; Y228-F232 HydrophobicContact CD1-CZ 4.24Å; Y228-F232 HydrophobicContact CE1-CE2 4.31Å; Y228-F232 HydrophobicContact CG-CE2 4.37Å; Y228-F232 VanDerWaalsContact O-CD2 3.28Å; Y228-F232 WeakPolarHBondContact O-CD2 3.4Å; Y228-F232 PolarHBondContact O-N 3.09Å; F232-F264 HydrophobicContact CE1-CE1 4.46Å; F232-A574 WeakPolarHBondContact O-CB 3.48Å; F232-V577 HydrophobicContact CD1-CG1 3.89Å; F232-V577 HydrophobicContact CE1-CG1 3.99Å; F232-Q578 HydrophobicContact CB-CG 3.79Å; F232-Q578 HydrophobicContact CD1-CB 4.44Å; F232-Q578 HydrophobicContact CD1-CG 3.67Å; F232-Q578 HydrophobicContact CG-CG 3.95Å; F232-Q578 PolarHBondContact O-NE2 2.96Å; F232-L581 HydrophobicContact CE1-CB 4.17Å; F232-L581 HydrophobicContact CE1-CD2 4.06Å; F232-L581 HydrophobicContact CE2-CD2 4.2Å; F232-L581 HydrophobicContact CZ-CB 4.35Å; F232-L581 HydrophobicContact CZ-CD2 3.42Å; F232-L581 VanDerWaalsContact CZ-CD2 3.42Å; F232-L581 HydrophobicContact CZ-CG 4.35Å
233G89.4Confident92.5Very high13 Ų1335 Ų3513%0.13418%0.176CC..THydrogen-bonded Turntrans82.912.4-171.100000113.8A229 Y235 M236A229-G233 CarbonylContact O-C 3.34Å; A229-G233 WeakPolarHBondContact O-CA 3.09Å; A229-G233 PolarHBondContact O-N 3.35Å; G233-Y235 PolarHBondContact O-N 3.12Å; G233-M236 CarbonylContact C-O 3.56Å; G233-M236 WeakPolarHBondContact CA-O 3.42Å
234D85.8Confident92.5Very high28 Ų2837.1 Ų37.115%0.1518%0.183CC..SBendtrans-65.999.3-176-63.7-12.5000110.6A229 M236 R559A229-D234 HydrophobicContact CB-CB 4.26Å; A229-D234 WeakPolarHBondContact CB-O 3.31Å; A229-D234 PolarHBondContact O-N 3.38Å; A229-D234 VanDerWaalsContact O-N 3.15Å; D234-M236 PolarHBondContact O-N 2.57Å; D234-R559 IonicContact OD1-CZ 3.99Å; D234-R559 IonicContact OD1-NH1 3.49Å; D234-R559 PolarHBondContact OD1-NH1 3.43Å; D234-R559 IonicContact OD1-NH2 3.3Å; D234-R559 IonicContact OD2-CZ 3.77Å; D234-R559 VanDerWaalsContact OD2-CZ 3.31Å; D234-R559 IonicContact OD2-NH1 2.81Å; D234-R559 PolarHBondContact OD2-NH1 3.17Å; D234-R559 IonicContact OD2-NH2 3.69Å; D234-R559 PolarHBondContact OD2-NH2 3.13Å
235Y85.9Confident92.6Very high76 Ų7641.2 Ų41.230%0.29820%0.202SC..SBendtrans61.69.1178.4-45.9-78.5000115.6K201 K204 K205 Y208 G233K201-Y235 HydrophobicContact CG-CD1 3.96Å; K201-Y235 HydrophobicContact CG-CE1 4.02Å; K204-Y235 HydrophobicContact CB-CD1 3.6Å; K204-Y235 HydrophobicContact CB-CD2 4.38Å; K204-Y235 HydrophobicContact CB-CE1 3.91Å; K204-Y235 HydrophobicContact CB-CG 3.87Å; K204-Y235 HydrophobicContact CD-CD1 4.13Å; K204-Y235 HydrophobicContact CD-CE1 3.5Å; K204-Y235 VanDerWaalsContact CD-CE1 3.5Å; K204-Y235 HydrophobicContact CD-CE2 4.07Å; K204-Y235 VanDerWaalsContact CD-CZ 3.46Å; K204-Y235 HydrophobicContact CG-CD1 4.5Å; K204-Y235 HydrophobicContact CG-CE1 4.32Å; K205-Y235 WeakPolarHBondContact CG-O 3.4Å; Y208-Y235 AromaticContact CD2-CD2 3.96Å; Y208-Y235 HydrophobicContact CD2-CD2 3.96Å; Y208-Y235 HydrophobicContact CD2-CG 4.16Å; Y208-Y235 AromaticContact CE2-CD2 3.45Å; Y208-Y235 HydrophobicContact CE2-CD2 3.45Å; Y208-Y235 VanDerWaalsContact CE2-CD2 3.45Å; Y208-Y235 HydrophobicContact CE2-CE2 4.22Å; Y208-Y235 HydrophobicContact CE2-CG 4.12Å; G233-Y235 PolarHBondContact O-N 3.12Å
236M87.8Confident92.7Very high29 Ų2939.5 Ų39.514%0.14320%0.196CC..SBendtrans-142.3159.7174.6-60-160.2-44.800110.3Y208 V226 A229 M230 G233 D234 Q238Y208-M236 HydrophobicContact CG-CG 4.4Å; V226-M236 HydrophobicContact CG1-CE 4.1Å; A229-M236 HydrophobicContact CB-CE 3.97Å; M230-M236 HydrophobicContact CB-CE 4.43Å; M230-M236 HydrophobicContact CE-CE 3.73Å; M230-M236 HydrophobicContact CG-CE 3.32Å; M230-M236 HydrophobicContact SD-CE 4.42Å; G233-M236 CarbonylContact C-O 3.56Å; G233-M236 WeakPolarHBondContact CA-O 3.42Å; D234-M236 PolarHBondContact O-N 2.57Å; M236-Q238 PolarHBondContact O-N 2.88Å
237N88.1Confident92.8Very high144 Ų14439.5 Ų39.577%0.7720%0.196SC*.  trans-63.6134.4176.6-62.4-4.5000110.6N239N237-N239 PolarHBondContact O-N 2.96Å
238Q91.2Very high92.7Very high56 Ų5642.9 Ų42.926%0.26221%0.211SC..  trans-65.4130.8-178.4-166-179.137.200111M230 L231 M236 D573M230-Q238 CarbonylContact O-C 3.15Å; M230-Q238 WeakPolarHBondContact O-CA 3.38Å; L231-Q238 PolarHBondContact O-NE2 2.87Å; M236-Q238 PolarHBondContact O-N 2.88Å; Q238-D573 PolarHBondContact NE2-O 3.2Å
239N93.1Very high92.8Very high64 Ų6446.6 Ų46.634%0.34223%0.228SC..  trans-148.193.3175.8-171.2-34.1000110.4M230 N237 T241 K242 A243M230-N239 PolarHBondContact O-N 3.3Å; N237-N239 PolarHBondContact O-N 2.96Å; N239-T241 PolarHBondContact O-N 2.88Å; N239-T241 PolarHBondContact OD1-N 3.28Å; N239-T241 PolarHBondContact OD1-OG1 3.18Å; N239-K242 HydrophobicContact CB-CB 4.4Å; N239-K242 WeakPolarHBondContact OD1-CB 3.2Å; N239-K242 PolarHBondContact OD1-N 2.83Å; N239-A243 VanDerWaalsContact O-CB 3.28Å; N239-A243 WeakPolarHBondContact O-CB 3.12Å; N239-A243 PolarHBondContact O-N 3.32Å
240V93.3Very high92.9Very high25 Ų2546.7 Ų46.715%0.15223%0.229CC..Hα-helixtrans-66.1-35.5-175.9-179.20000112.3L231 R244 L265 L270L231-V240 HydrophobicContact CD1-CG1 4.47Å; V240-R244 WeakPolarHBondContact O-CB 3.34Å; V240-R244 PolarHBondContact O-N 2.63Å; V240-L265 HydrophobicContact CG1-CD2 3.98Å; V240-L270 HydrophobicContact CG1-CB 3.99Å
241T93.6Very high92.9Very high71 Ų7146.8 Ų46.844%0.43623%0.232SC..Hα-helixtrans-72.9-46.6-177.651.40000111.9N239 A243 R244 E245N239-T241 PolarHBondContact O-N 2.88Å; N239-T241 PolarHBondContact OD1-N 3.28Å; N239-T241 PolarHBondContact OD1-OG1 3.18Å; T241-A243 VanDerWaalsContact C-N 3.31Å; T241-A243 PolarHBondContact O-N 3.28Å; T241-R244 WeakPolarHBondContact O-CB 3.43Å; T241-R244 PolarHBondContact O-N 3.17Å; T241-E245 PolarHBondContact O-N 3.22Å; T241-E245 VanDerWaalsContact O-N 3.13Å
242K93.6Very high92.8Very high76 Ų7653.1 Ų53.133%0.3327%0.27SS..Hα-helixtrans-64.2-36.6174.1-170173.5176.9177.20111.5M230 N239 E245 M246M230-K242 HydrophobicContact CE-CD 4.12Å; M230-K242 HydrophobicContact SD-CB 4.21Å; M230-K242 HydrophobicContact SD-CD 3.81Å; M230-K242 HydrophobicContact SD-CG 3.93Å; N239-K242 HydrophobicContact CB-CB 4.4Å; N239-K242 WeakPolarHBondContact OD1-CB 3.2Å; N239-K242 PolarHBondContact OD1-N 2.83Å; K242-E245 PolarHBondContact O-N 3.26Å; K242-M246 HydrophobicContact CG-CE 4.33Å; K242-M246 WeakPolarHBondContact O-CG 3.48Å; K242-M246 PolarHBondContact O-N 3.06Å
243A95.5Very high92.7Very high0 Ų056.7 Ų56.70%029%0.287CS..Hα-helixtrans-60.8-46172.600000112M230 L231 N239 T241 E245 M246 F247M230-A243 HydrophobicContact CB-CB 4.04Å; L231-A243 HydrophobicContact CB-CB 4.17Å; N239-A243 VanDerWaalsContact O-CB 3.28Å; N239-A243 WeakPolarHBondContact O-CB 3.12Å; N239-A243 PolarHBondContact O-N 3.32Å; T241-A243 VanDerWaalsContact C-N 3.31Å; T241-A243 PolarHBondContact O-N 3.28Å; A243-E245 PolarHBondContact O-N 3.3Å; A243-M246 PolarHBondContact O-N 3.48Å; A243-F247 HydrophobicContact CB-CD2 4.43Å; A243-F247 HydrophobicContact CB-CE2 4.07Å; A243-F247 WeakPolarHBondContact O-CD2 3.19Å; A243-F247 WeakPolarHBondContact O-CG 3.4Å; A243-F247 PolarHBondContact O-N 3.46Å
244R95.5Very high92.9Very high55 Ų5558.1 Ų58.121%0.20830%0.302CS..Hα-helixtrans-56-49.4176.5-174.1-164.870.3-149.8-7.4111.9V240 T241 M246 F247 E248 L262 L265 G271 V272V240-R244 WeakPolarHBondContact O-CB 3.34Å; V240-R244 PolarHBondContact O-N 2.63Å; T241-R244 WeakPolarHBondContact O-CB 3.43Å; T241-R244 PolarHBondContact O-N 3.17Å; R244-M246 VanDerWaalsContact C-N 3.33Å; R244-M246 PolarHBondContact O-N 2.67Å; R244-F247 CarbonylContact O-C 3.59Å; R244-F247 PolarHBondContact O-N 2.97Å; R244-F247 VanDerWaalsContact O-N 3.1Å; R244-E248 HydrophobicContact CG-CG 4.37Å; R244-E248 IonicContact NE-OE1 2.79Å; R244-E248 WeakPolarHBondContact O-CG 3.37Å; R244-E248 PolarHBondContact O-N 3.33Å; R244-L262 HydrophobicContact CG-CD2 4.39Å; R244-L265 HydrophobicContact CB-CD1 3.83Å; R244-L265 HydrophobicContact CG-CD1 3.94Å; R244-G271 PolarHBondContact NH1-O 3.26Å; R244-V272 VanDerWaalsContact CD-CG1 3.47Å
245E95.1Very high93.3Very high110 Ų11057.4 Ų57.451%0.51430%0.298SS..Hα-helixtrans-60.3-41.3-178.6-71.4167.4-17100112.2T241 K242 A243 E248 K249T241-E245 PolarHBondContact O-N 3.22Å; T241-E245 VanDerWaalsContact O-N 3.13Å; K242-E245 PolarHBondContact O-N 3.26Å; A243-E245 PolarHBondContact O-N 3.3Å; E245-E248 PolarHBondContact O-N 2.89Å; E245-K249 PolarHBondContact O-N 3.22Å; E245-K249 VanDerWaalsContact O-N 3.11Å
246M95.6Very high93.9Very high26 Ų2655.5 Ų55.513%0.12830%0.295CS..Hα-helixtrans-64.9-40.6173.4-69.2-173.1-6800112.3T223 V226 A227 M230 K242 A243 R244 K249 L250T223-M246 HydrophobicContact CG2-CB 4.06Å; T223-M246 HydrophobicContact CG2-CG 4.2Å; T223-M246 HydrophobicContact CG2-SD 4.16Å; V226-M246 HydrophobicContact CG1-CE 4.38Å; V226-M246 HydrophobicContact CG1-SD 4.39Å; A227-M246 HydrophobicContact CB-CB 3.93Å; A227-M246 HydrophobicContact CB-CE 3.77Å; A227-M246 HydrophobicContact CB-SD 4.42Å; M230-M246 HydrophobicContact CE-CE 4.32Å; M230-M246 HydrophobicContact CG-CE 4.29Å; M230-M246 HydrophobicContact SD-CE 3.43Å; M230-M246 WeakPolarHBondContact SD-CE 3.47Å; K242-M246 HydrophobicContact CG-CE 4.33Å; K242-M246 WeakPolarHBondContact O-CG 3.48Å; K242-M246 PolarHBondContact O-N 3.06Å; A243-M246 PolarHBondContact O-N 3.48Å; R244-M246 VanDerWaalsContact C-N 3.33Å; R244-M246 PolarHBondContact O-N 2.67Å; M246-K249 PolarHBondContact O-N 2.87Å; M246-L250 WeakPolarHBondContact O-CB 3.42Å; M246-L250 VanDerWaalsContact O-CG 3.31Å; M246-L250 WeakPolarHBondContact O-CG 3.46Å; M246-L250 PolarHBondContact O-N 3.34Å
247F96.8Very high94.2Very high0 Ų058.6 Ų58.60%031%0.308CS..Hα-helixtrans-68.1-34.4175.3-67-51.7000112.9A227 Y228 L231 A243 R244 L250 A251 A258 A261 L262 L265A227-F247 HydrophobicContact CB-CD1 3.92Å; A227-F247 HydrophobicContact CB-CD2 4.48Å; A227-F247 HydrophobicContact CB-CE1 3.48Å; A227-F247 VanDerWaalsContact CB-CE1 3.48Å; A227-F247 HydrophobicContact CB-CE2 4.08Å; A227-F247 HydrophobicContact CB-CG 4.4Å; A227-F247 HydrophobicContact CB-CZ 3.57Å; Y228-F247 HydrophobicContact CD1-CE1 4.3Å; Y228-F247 AromaticContact CD1-CZ 3.78Å; Y228-F247 HydrophobicContact CD1-CZ 3.78Å; Y228-F247 HydrophobicContact CD2-CE1 4.29Å; Y228-F247 HydrophobicContact CD2-CZ 4.45Å; Y228-F247 HydrophobicContact CE1-CE1 4.21Å; Y228-F247 AromaticContact CE1-CZ 3.94Å; Y228-F247 HydrophobicContact CE1-CZ 3.94Å; Y228-F247 HydrophobicContact CE2-CE1 4.19Å; Y228-F247 HydrophobicContact CG-CE1 4.35Å; Y228-F247 HydrophobicContact CG-CZ 4.06Å; L231-F247 HydrophobicContact CB-CE2 4.35Å; L231-F247 HydrophobicContact CD2-CE2 4Å; L231-F247 HydrophobicContact CD2-CZ 4.38Å; A243-F247 HydrophobicContact CB-CD2 4.43Å; A243-F247 HydrophobicContact CB-CE2 4.07Å; A243-F247 WeakPolarHBondContact O-CD2 3.19Å; A243-F247 WeakPolarHBondContact O-CG 3.4Å; A243-F247 PolarHBondContact O-N 3.46Å; R244-F247 CarbonylContact O-C 3.59Å; R244-F247 PolarHBondContact O-N 2.97Å; R244-F247 VanDerWaalsContact O-N 3.1Å; F247-L250 PolarHBondContact O-N 3.1Å; F247-A251 WeakPolarHBondContact O-CB 3.29Å; F247-A251 PolarHBondContact O-N 3.42Å; F247-A258 HydrophobicContact CB-CB 4.38Å; F247-A258 HydrophobicContact CD1-CB 4.03Å; F247-A261 HydrophobicContact CD1-CB 3.73Å; F247-A261 HydrophobicContact CD2-CB 3.81Å; F247-A261 HydrophobicContact CE1-CB 3.63Å; F247-A261 HydrophobicContact CE2-CB 3.74Å; F247-A261 HydrophobicContact CG-CB 3.82Å; F247-A261 HydrophobicContact CZ-CB 3.64Å; F247-L262 HydrophobicContact CB-CD2 3.69Å; F247-L262 HydrophobicContact CB-CG 3.95Å; F247-L265 HydrophobicContact CD2-CD1 4.25Å
248E95.4Very high94.7Very high70 Ų7051.7 Ų51.733%0.32727%0.271SS..Hα-helixtrans-63.2-46.1174.5-74.6175.5167.400110.8R244 E245 A251 V252 L262R244-E248 HydrophobicContact CG-CG 4.37Å; R244-E248 IonicContact NE-OE1 2.79Å; R244-E248 WeakPolarHBondContact O-CG 3.37Å; R244-E248 PolarHBondContact O-N 3.33Å; E245-E248 PolarHBondContact O-N 2.89Å; E248-A251 PolarHBondContact O-N 2.86Å; E248-V252 WeakPolarHBondContact O-CG2 3.43Å; E248-V252 PolarHBondContact O-N 3.2Å; E248-L262 HydrophobicContact CG-CD1 4.28Å; E248-L262 HydrophobicContact CG-CD2 3.8Å
249K94.9Very high94.9Very high117 Ų11750.3 Ų50.351%0.50927%0.265SS..Hα-helixtrans-57.7-53.2173.2-170.9-171.9177.5-168.70111.6E245 M246 A251 V252 E253E245-K249 PolarHBondContact O-N 3.22Å; E245-K249 VanDerWaalsContact O-N 3.11Å; M246-K249 PolarHBondContact O-N 2.87Å; K249-A251 VanDerWaalsContact C-N 3.29Å; K249-A251 PolarHBondContact O-N 2.98Å; K249-V252 PolarHBondContact O-N 3.43Å; K249-E253 WeakPolarHBondContact CE-OE1 3.17Å; K249-E253 PolarHBondContact O-N 3.46Å; K249-E253 VanDerWaalsContact O-N 3.15Å
250L95.9Very high95.1Very high3 Ų347.4 Ų47.42%0.01625%0.249CC..Hα-helixtrans-64.1-29.9-179.1-72.9167.9000113.5Q220 T223 E224 M246 F247 E253 G254 S255 A258Q220-L250 HydrophobicContact CB-CD2 4.24Å; T223-L250 HydrophobicContact CG2-CD1 3.84Å; T223-L250 HydrophobicContact CG2-CD2 4.41Å; T223-L250 HydrophobicContact CG2-CG 4.14Å; E224-L250 HydrophobicContact CB-CD1 4.42Å; E224-L250 HydrophobicContact CG-CD1 3.87Å; E224-L250 HydrophobicContact CG-CD2 4.38Å; M246-L250 WeakPolarHBondContact O-CB 3.42Å; M246-L250 VanDerWaalsContact O-CG 3.31Å; M246-L250 WeakPolarHBondContact O-CG 3.46Å; M246-L250 PolarHBondContact O-N 3.34Å; F247-L250 PolarHBondContact O-N 3.1Å; L250-E253 CarbonylContact O-C 3.52Å; L250-E253 PolarHBondContact O-N 2.95Å; L250-G254 PolarHBondContact O-N 2.84Å; L250-S255 WeakPolarHBondContact O-CB 3.47Å; L250-S255 PolarHBondContact O-N 2.91Å; L250-A258 HydrophobicContact CB-CB 3.4Å; L250-A258 HydrophobicContact CD1-CB 4.41Å
251A95.3Very high95.3Very high16 Ų1646.2 Ų46.213%0.13224%0.242CC..Hα-helixtrans-73.9-32.7177.500000112.5F247 E248 K249 E253 G254 A258 Q259 L262F247-A251 WeakPolarHBondContact O-CB 3.29Å; F247-A251 PolarHBondContact O-N 3.42Å; E248-A251 PolarHBondContact O-N 2.86Å; K249-A251 VanDerWaalsContact C-N 3.29Å; K249-A251 PolarHBondContact O-N 2.98Å; A251-E253 VanDerWaalsContact C-N 3.33Å; A251-G254 PolarHBondContact O-N 3.4Å; A251-G254 VanDerWaalsContact O-N 3.13Å; A251-A258 HydrophobicContact CB-CB 4.33Å; A251-Q259 HydrophobicContact CB-CG 4Å; A251-L262 HydrophobicContact CB-CD1 3.42Å; A251-L262 VanDerWaalsContact CB-CD1 3.42Å
252V94.1Very high95.5Very high133 Ų13342.9 Ų42.981%0.80622%0.222SC*.Hα-helixtrans-66.4-37.4169.9173.10000110.8E248 K249 G254E248-V252 WeakPolarHBondContact O-CG2 3.43Å; E248-V252 PolarHBondContact O-N 3.2Å; K249-V252 PolarHBondContact O-N 3.43Å; V252-G254 PolarHBondContact O-N 2.76Å
253E91.1Very high95.6Very high79 Ų7939.3 Ų39.337%0.36921%0.206SC..THydrogen-bonded Turntrans-70.8-6.4171.5-64.9170.5-160.700113.4Q220 K249 L250 A251Q220-E253 WeakPolarHBondContact CG-OE2 3.41Å; Q220-E253 PolarHBondContact NE2-OE2 3.41Å; K249-E253 WeakPolarHBondContact CE-OE1 3.17Å; K249-E253 PolarHBondContact O-N 3.46Å; K249-E253 VanDerWaalsContact O-N 3.15Å; L250-E253 CarbonylContact O-C 3.52Å; L250-E253 PolarHBondContact O-N 2.95Å; A251-E253 VanDerWaalsContact C-N 3.33Å
254G92.5Very high95.7Very high43 Ų4339.3 Ų39.344%0.44321%0.206SC..THydrogen-bonded Turntrans90.511.917500000115.9L250 A251 V252 P256L250-G254 PolarHBondContact O-N 2.84Å; A251-G254 PolarHBondContact O-N 3.4Å; A251-G254 VanDerWaalsContact O-N 3.13Å; V252-G254 PolarHBondContact O-N 2.76Å; G254-P256 WeakPolarHBondContact O-CD 3.37Å
255S95.9Very high95.8Very high12 Ų1236.7 Ų36.78%0.08420%0.196CC..  trans-62.4121.6178.1167.30000111.6E224 L250 K257 A258 Q259E224-S255 WeakPolarHBondContact OE1-CB 3.39Å; E224-S255 PolarHBondContact OE1-OG 2.88Å; L250-S255 WeakPolarHBondContact O-CB 3.47Å; L250-S255 PolarHBondContact O-N 2.91Å; S255-K257 VanDerWaalsContact C-N 3.27Å; S255-K257 PolarHBondContact O-N 2.91Å; S255-K257 PolarHBondContact OG-N 3.33Å; S255-A258 PolarHBondContact O-N 3.18Å; S255-A258 PolarHBondContact OG-N 3.46Å; S255-A258 VanDerWaalsContact OG-N 3.17Å; S255-Q259 VanDerWaalsContact O-CG 3.3Å; S255-Q259 WeakPolarHBondContact O-CG 3.31Å; S255-Q259 PolarHBondContact O-N 3.3Å
256P96.8Very high95.8Very high36 Ų3632.8 Ų32.823%0.23418%0.177CC..Hα-helixtrans-73-21.8-179.831.4-36.8000112.5G254 M260 G289 N291G254-P256 WeakPolarHBondContact O-CD 3.37Å; P256-M260 WeakPolarHBondContact O-CB 3.24Å; P256-M260 PolarHBondContact O-N 3.42Å; P256-M260 VanDerWaalsContact O-N 3.12Å; P256-G289 WeakPolarHBondContact CB-O 3.49Å; P256-G289 WeakPolarHBondContact CG-O 3.44Å; P256-N291 HydrophobicContact CB-CB 4.28Å
257K95.8Very high95.8Very high94 Ų9431.8 Ų31.841%0.40917%0.173SC..Hα-helixtrans-72.5-47.5171.6-64.9-175-155148.80110.8E224 Y228 S255 Q259 M260 A261E224-K257 WeakPolarHBondContact OE2-CD 3.42Å; E224-K257 WeakPolarHBondContact OE2-CE 3.39Å; E224-K257 IonicContact OE2-NZ 3.32Å; E224-K257 PolarHBondContact OE2-NZ 3.07Å; Y228-K257 HydrophobicContact CE2-CB 4.02Å; Y228-K257 HydrophobicContact CE2-CD 4.32Å; Y228-K257 PolarHBondContact OH-O 3.47Å; S255-K257 VanDerWaalsContact C-N 3.27Å; S255-K257 PolarHBondContact O-N 2.91Å; S255-K257 PolarHBondContact OG-N 3.33Å; K257-Q259 VanDerWaalsContact C-N 3.31Å; K257-Q259 PolarHBondContact O-N 2.93Å; K257-M260 WeakPolarHBondContact O-CB 3.44Å; K257-M260 PolarHBondContact O-N 2.9Å; K257-M260 VanDerWaalsContact O-N 3.13Å; K257-A261 PolarHBondContact O-N 3.3Å
258A96.7Very high95.7Very high0 Ų032.1 Ų32.10%018%0.176CC..Hα-helixtrans-61-41.7176.900000111.7F247 L250 A251 S255 M260 A261 L262F247-A258 HydrophobicContact CB-CB 4.38Å; F247-A258 HydrophobicContact CD1-CB 4.03Å; L250-A258 HydrophobicContact CB-CB 3.4Å; L250-A258 HydrophobicContact CD1-CB 4.41Å; A251-A258 HydrophobicContact CB-CB 4.33Å; S255-A258 PolarHBondContact O-N 3.18Å; S255-A258 PolarHBondContact OG-N 3.46Å; S255-A258 VanDerWaalsContact OG-N 3.17Å; A258-M260 PolarHBondContact O-N 2.91Å; A258-A261 PolarHBondContact O-N 3.45Å; A258-L262 WeakPolarHBondContact O-CG 3.47Å; A258-L262 PolarHBondContact O-N 3.45Å
259Q96.9Very high95.5Very high27 Ų2729.2 Ų29.213%0.12617%0.165CC..Hα-helixtrans-58.7-46172.1-69.5166.12.700112A251 S255 K257 A261 L262 G263 Y282 F285A251-Q259 HydrophobicContact CB-CG 4Å; S255-Q259 VanDerWaalsContact O-CG 3.3Å; S255-Q259 WeakPolarHBondContact O-CG 3.31Å; S255-Q259 PolarHBondContact O-N 3.3Å; K257-Q259 VanDerWaalsContact C-N 3.31Å; K257-Q259 PolarHBondContact O-N 2.93Å; Q259-A261 VanDerWaalsContact C-N 3.34Å; Q259-A261 PolarHBondContact O-N 3.34Å; Q259-L262 PolarHBondContact O-N 2.94Å; Q259-G263 PolarHBondContact O-N 2.75Å; Q259-Y282 HydrophobicContact CB-CD1 4.5Å; Q259-Y282 WeakPolarHBondContact O-CB 3.32Å; Q259-F285 PolarHBondContact OE1-O 3.49Å
260M97.4Very high95.4Very high3 Ų323.7 Ų23.72%0.01514%0.141CC..Hα-helixtrans-59.1-43.1173.7-177.4-81.2-74.100112.3Y228 P256 K257 A258 G263 F264 Y283 I293 A294 I297 L581Y228-M260 HydrophobicContact CE1-CE 4.32Å; Y228-M260 WeakPolarHBondContact OH-CE 3.23Å; P256-M260 WeakPolarHBondContact O-CB 3.24Å; P256-M260 PolarHBondContact O-N 3.42Å; P256-M260 VanDerWaalsContact O-N 3.12Å; K257-M260 WeakPolarHBondContact O-CB 3.44Å; K257-M260 PolarHBondContact O-N 2.9Å; K257-M260 VanDerWaalsContact O-N 3.13Å; A258-M260 PolarHBondContact O-N 2.91Å; M260-G263 PolarHBondContact O-N 3.25Å; M260-F264 PolarHBondContact O-N 2.78Å; M260-Y283 HydrophobicContact CG-CD1 4.42Å; M260-Y283 HydrophobicContact CG-CE1 4.43Å; M260-Y283 WeakPolarHBondContact O-CE1 3.44Å; M260-I293 HydrophobicContact CE-CB 3.95Å; M260-I293 HydrophobicContact CE-CD1 4Å; M260-I293 HydrophobicContact CE-CG2 3.82Å; M260-I293 HydrophobicContact CG-CB 4.43Å; M260-I293 HydrophobicContact CG-CG2 4.2Å; M260-I293 HydrophobicContact SD-CB 4.41Å; M260-I293 HydrophobicContact SD-CG2 3.8Å; M260-A294 HydrophobicContact CB-CB 4.13Å; M260-A294 HydrophobicContact CG-CB 3.92Å; M260-I297 HydrophobicContact SD-CD1 4.48Å; M260-L581 HydrophobicContact SD-CD1 4.15Å
261A97Very high95Very high0 Ų025.6 Ų25.60%016%0.161CC..Hα-helixtrans-65.3-42.4178.700000112.7Y228 F247 K257 A258 Q259 G263 F264 L265Y228-A261 HydrophobicContact CE1-CB 3.91Å; F247-A261 HydrophobicContact CD1-CB 3.73Å; F247-A261 HydrophobicContact CD2-CB 3.81Å; F247-A261 HydrophobicContact CE1-CB 3.63Å; F247-A261 HydrophobicContact CE2-CB 3.74Å; F247-A261 HydrophobicContact CG-CB 3.82Å; F247-A261 HydrophobicContact CZ-CB 3.64Å; K257-A261 PolarHBondContact O-N 3.3Å; A258-A261 PolarHBondContact O-N 3.45Å; Q259-A261 VanDerWaalsContact C-N 3.34Å; Q259-A261 PolarHBondContact O-N 3.34Å; A261-G263 VanDerWaalsContact C-N 3.32Å; A261-G263 PolarHBondContact O-N 3.03Å; A261-F264 WeakPolarHBondContact O-CB 3.44Å; A261-F264 PolarHBondContact O-N 3.4Å; A261-L265 WeakPolarHBondContact O-CG 3.49Å; A261-L265 PolarHBondContact O-N 3.45Å
262L96.9Very high94.8Very high1 Ų126.1 Ų26.11%0.00516%0.162CC..Hα-helixtrans-62.7-40.7172.1-67.2179.1000111.4R244 F247 E248 A251 A258 Q259 F264 L265 Y266 Y282R244-L262 HydrophobicContact CG-CD2 4.39Å; F247-L262 HydrophobicContact CB-CD2 3.69Å; F247-L262 HydrophobicContact CB-CG 3.95Å; E248-L262 HydrophobicContact CG-CD1 4.28Å; E248-L262 HydrophobicContact CG-CD2 3.8Å; A251-L262 HydrophobicContact CB-CD1 3.42Å; A251-L262 VanDerWaalsContact CB-CD1 3.42Å; A258-L262 WeakPolarHBondContact O-CG 3.47Å; A258-L262 PolarHBondContact O-N 3.45Å; Q259-L262 PolarHBondContact O-N 2.94Å; L262-F264 VanDerWaalsContact C-N 3.26Å; L262-F264 PolarHBondContact O-N 3.21Å; L262-L265 HydrophobicContact CD2-CD1 4.38Å; L262-L265 PolarHBondContact O-N 3.4Å; L262-Y266 VanDerWaalsContact O-CD2 3.22Å; L262-Y266 WeakPolarHBondContact O-CD2 3.36Å; L262-Y266 PolarHBondContact O-N 3.15Å; L262-Y282 HydrophobicContact CB-CD1 4.04Å; L262-Y282 HydrophobicContact CB-CD2 4.18Å; L262-Y282 HydrophobicContact CB-CE1 4.19Å; L262-Y282 HydrophobicContact CB-CE2 4.31Å; L262-Y282 HydrophobicContact CB-CG 4.05Å; L262-Y282 HydrophobicContact CD1-CD1 4.23Å; L262-Y282 HydrophobicContact CD1-CE1 3.68Å
263G96.8Very high94.6Very high0 Ų027 Ų270%016%0.162CC..Hα-helixtrans-54.8-44.5172.900000111.9Q259 M260 A261 A267 A279Q259-G263 PolarHBondContact O-N 2.75Å; M260-G263 PolarHBondContact O-N 3.25Å; A261-G263 VanDerWaalsContact C-N 3.32Å; A261-G263 PolarHBondContact O-N 3.03Å; G263-A267 VanDerWaalsContact O-CB 3.27Å; G263-A267 WeakPolarHBondContact O-CB 3.21Å; G263-A267 PolarHBondContact O-N 3.19Å; G263-A279 VanDerWaalsContact O-CB 3.27Å; G263-A279 WeakPolarHBondContact O-CB 3.44Å
264F97.3Very high94.6Very high0 Ų026.2 Ų26.20%017%0.166CC..Hα-helixtrans-63.8-47.8174.2169.3-112.6000113.2L231 F232 M260 A261 L262 Y266 A267 A268 L270 Y283 V577 L580 L581 E584L231-F264 HydrophobicContact CD1-CE1 4.47Å; L231-F264 HydrophobicContact CD2-CD1 4.07Å; L231-F264 HydrophobicContact CD2-CE1 4.08Å; F232-F264 HydrophobicContact CE1-CE1 4.46Å; M260-F264 PolarHBondContact O-N 2.78Å; A261-F264 WeakPolarHBondContact O-CB 3.44Å; A261-F264 PolarHBondContact O-N 3.4Å; L262-F264 VanDerWaalsContact C-N 3.26Å; L262-F264 PolarHBondContact O-N 3.21Å; F264-Y266 VanDerWaalsContact C-N 3.34Å; F264-Y266 PolarHBondContact O-N 2.9Å; F264-A267 PolarHBondContact O-N 3.35Å; F264-A267 VanDerWaalsContact O-N 3.15Å; F264-A268 HydrophobicContact CD2-CB 4.43Å; F264-A268 HydrophobicContact CE2-CB 4.03Å; F264-A268 HydrophobicContact CZ-CB 4.43Å; F264-A268 WeakPolarHBondContact O-CB 3.39Å; F264-A268 PolarHBondContact O-N 3.44Å; F264-L270 HydrophobicContact CE1-CD1 3.64Å; F264-L270 HydrophobicContact CE2-CD1 4.47Å; F264-L270 HydrophobicContact CZ-CD1 3.6Å; F264-Y283 WeakPolarHBondContact CA-OH 3.08Å; F264-Y283 PolarHBondContact N-OH 2.86Å; F264-V577 HydrophobicContact CE1-CG1 3.92Å; F264-V577 HydrophobicContact CZ-CG1 4.05Å; F264-L580 HydrophobicContact CE2-CB 3.84Å; F264-L580 HydrophobicContact CZ-CB 3.88Å; F264-L581 HydrophobicContact CB-CD1 4.13Å; F264-L581 HydrophobicContact CD1-CD1 4.25Å; F264-L581 HydrophobicContact CD2-CB 4.33Å; F264-L581 HydrophobicContact CD2-CD1 3.84Å; F264-L581 HydrophobicContact CE1-CB 4.49Å; F264-L581 VanDerWaalsContact CE2-CA 3.5Å; F264-L581 HydrophobicContact CE2-CB 3.96Å; F264-L581 HydrophobicContact CE2-CD1 4.33Å; F264-L581 HydrophobicContact CG-CD1 3.79Å; F264-L581 HydrophobicContact CZ-CB 4.03Å; F264-E584 HydrophobicContact CD2-CG 4.32Å
265L96.8Very high94.8Very high0 Ų025.9 Ų25.90%016%0.157CC..Hα-helixtrans-59.5-43177.9-67.5177000111.9L231 V240 R244 F247 A261 L262 G269 L270 V272L231-L265 HydrophobicContact CD1-CD2 3.72Å; V240-L265 HydrophobicContact CG1-CD2 3.98Å; R244-L265 HydrophobicContact CB-CD1 3.83Å; R244-L265 HydrophobicContact CG-CD1 3.94Å; F247-L265 HydrophobicContact CD2-CD1 4.25Å; A261-L265 WeakPolarHBondContact O-CG 3.49Å; A261-L265 PolarHBondContact O-N 3.45Å; L262-L265 HydrophobicContact CD2-CD1 4.38Å; L262-L265 PolarHBondContact O-N 3.4Å; L265-G269 VanDerWaalsContact O-CA 3.29Å; L265-G269 WeakPolarHBondContact O-CA 3.42Å; L265-G269 PolarHBondContact O-N 3.36Å; L265-L270 HydrophobicContact CD2-CB 3.61Å; L265-L270 HydrophobicContact CD2-CD1 4.27Å; L265-L270 PolarHBondContact O-N 3Å; L265-V272 HydrophobicContact CB-CG2 4.38Å; L265-V272 WeakPolarHBondContact O-CG2 3.38Å
266Y96.5Very high94.7Very high28 Ų2828.1 Ų28.111%0.1117%0.166CC..Hα-helixtrans-71.8-30.5175-76.9-67.1000113.6L262 F264 V272 S274 S275 K278 Y282L262-Y266 VanDerWaalsContact O-CD2 3.22Å; L262-Y266 WeakPolarHBondContact O-CD2 3.36Å; L262-Y266 PolarHBondContact O-N 3.15Å; F264-Y266 VanDerWaalsContact C-N 3.34Å; F264-Y266 PolarHBondContact O-N 2.9Å; Y266-V272 HydrophobicContact CD1-CB 4.16Å; Y266-V272 HydrophobicContact CD1-CG2 3.69Å; Y266-V272 HydrophobicContact CE1-CB 3.97Å; Y266-V272 HydrophobicContact CE1-CG1 4.2Å; Y266-V272 HydrophobicContact CE1-CG2 3.97Å; Y266-V272 HydrophobicContact CG-CG2 4.2Å; Y266-S274 CarbonylContact O-C 3.32Å; Y266-S274 WeakPolarHBondContact O-CA 3.47Å; Y266-S274 PolarHBondContact O-OG 3Å; Y266-S275 PolarHBondContact O-N 3.01Å; Y266-K278 HydrophobicContact CD1-CB 4.28Å; Y266-K278 HydrophobicContact CD1-CD 3.94Å; Y266-K278 HydrophobicContact CD2-CB 4.35Å; Y266-K278 HydrophobicContact CE1-CD 3.71Å; Y266-K278 HydrophobicContact CG-CB 4.06Å; Y266-K278 HydrophobicContact CG-CD 4.43Å; Y266-Y282 AromaticContact CD2-CD2 3.77Å; Y266-Y282 HydrophobicContact CD2-CD2 3.77Å; Y266-Y282 AromaticContact CD2-CE2 3.63Å; Y266-Y282 HydrophobicContact CD2-CE2 3.63Å; Y266-Y282 HydrophobicContact CE2-CD2 4.11Å; Y266-Y282 AromaticContact CE2-CE2 3.48Å; Y266-Y282 HydrophobicContact CE2-CE2 3.48Å; Y266-Y282 VanDerWaalsContact CE2-CE2 3.48Å
267A95.6Very high94.6Very high6 Ų629.8 Ų29.85%0.0518%0.183CC..Hα-helixtrans-69.2-52.1175.700000111.1G263 F264 G269 S274 Q276 A279 Y283G263-A267 VanDerWaalsContact O-CB 3.27Å; G263-A267 WeakPolarHBondContact O-CB 3.21Å; G263-A267 PolarHBondContact O-N 3.19Å; F264-A267 PolarHBondContact O-N 3.35Å; F264-A267 VanDerWaalsContact O-N 3.15Å; A267-G269 VanDerWaalsContact C-N 3.34Å; A267-S274 PolarHBondContact O-OG 3.19Å; A267-S274 VanDerWaalsContact O-OG 3.09Å; A267-Q276 PolarHBondContact O-NE2 2.85Å; A267-A279 HydrophobicContact CB-CB 3.83Å; A267-Y283 HydrophobicContact CB-CE2 4.22Å
268A93.4Very high94.5Very high7 Ų730.4 Ų30.46%0.05819%0.186CC..Hα-helixtrans-77.3-17.1-179.200000113.1F264 L270 R614F264-A268 HydrophobicContact CD2-CB 4.43Å; F264-A268 HydrophobicContact CE2-CB 4.03Å; F264-A268 HydrophobicContact CZ-CB 4.43Å; F264-A268 WeakPolarHBondContact O-CB 3.39Å; F264-A268 PolarHBondContact O-N 3.44Å; A268-L270 HydrophobicContact CB-CD1 3.8Å; A268-L270 HydrophobicContact CB-CG 3.78Å; A268-R614 PolarHBondContact O-NH1 3.48Å
269G92.7Very high94.5Very high9 Ų930.4 Ų30.49%0.09319%0.186CC..THydrogen-bonded Turntrans67.941-175.600000112.6L265 A267 V272L265-G269 VanDerWaalsContact O-CA 3.29Å; L265-G269 WeakPolarHBondContact O-CA 3.42Å; L265-G269 PolarHBondContact O-N 3.36Å; A267-G269 VanDerWaalsContact C-N 3.34Å; G269-V272 CarbonylContact C-O 3.54Å; G269-V272 WeakPolarHBondContact CA-O 3.41Å
270L91.9Very high94.5Very high1 Ų130.9 Ų30.91%0.00519%0.189CC..SBendtrans-92.7107.3-177.1-73.5171.9000109.7V240 F264 L265 A268 V272 V577 L580 I605 F606V240-L270 HydrophobicContact CG1-CB 3.99Å; F264-L270 HydrophobicContact CE1-CD1 3.64Å; F264-L270 HydrophobicContact CE2-CD1 4.47Å; F264-L270 HydrophobicContact CZ-CD1 3.6Å; L265-L270 HydrophobicContact CD2-CB 3.61Å; L265-L270 HydrophobicContact CD2-CD1 4.27Å; L265-L270 PolarHBondContact O-N 3Å; A268-L270 HydrophobicContact CB-CD1 3.8Å; A268-L270 HydrophobicContact CB-CG 3.78Å; L270-V272 PolarHBondContact O-N 3.28Å; L270-V272 VanDerWaalsContact O-N 3.16Å; L270-V577 HydrophobicContact CD1-CG1 4.02Å; L270-V577 HydrophobicContact CD1-CG2 4.2Å; L270-V577 HydrophobicContact CD2-CG2 4.24Å; L270-L580 HydrophobicContact CD1-CD1 4.47Å; L270-I605 HydrophobicContact CD2-CG2 3.52Å; L270-F606 HydrophobicContact CD2-CE1 4.01Å; L270-F606 HydrophobicContact CD2-CE2 4.43Å; L270-F606 HydrophobicContact CD2-CZ 3.6Å; L270-F606 HydrophobicContact CG-CZ 4.39Å
271G86.9Confident94.4Very high43 Ų4334.3 Ų34.344%0.44321%0.21SC..SBendtrans65.711.2-175.900000114.7R244R244-G271 PolarHBondContact NH1-O 3.26Å
272V90.9Very high94.5Very high26 Ų2637.4 Ų37.416%0.15822%0.222CC..SBendtrans-150.4154.2177.3-65.70000109.8R244 L265 Y266 G269 L270 S274R244-V272 VanDerWaalsContact CD-CG1 3.47Å; L265-V272 HydrophobicContact CB-CG2 4.38Å; L265-V272 WeakPolarHBondContact O-CG2 3.38Å; Y266-V272 HydrophobicContact CD1-CB 4.16Å; Y266-V272 HydrophobicContact CD1-CG2 3.69Å; Y266-V272 HydrophobicContact CE1-CB 3.97Å; Y266-V272 HydrophobicContact CE1-CG1 4.2Å; Y266-V272 HydrophobicContact CE1-CG2 3.97Å; Y266-V272 HydrophobicContact CG-CG2 4.2Å; G269-V272 CarbonylContact C-O 3.54Å; G269-V272 WeakPolarHBondContact CA-O 3.41Å; L270-V272 PolarHBondContact O-N 3.28Å; L270-V272 VanDerWaalsContact O-N 3.16Å; V272-S274 PolarHBondContact O-N 3.34Å
273N91.2Very high94.5Very high151 Ų15137.4 Ų37.481%0.80722%0.222SC*.  trans-62.1132.1172.4-63.6-3.5000110.2S275N273-S275 PolarHBondContact O-N 2.88Å
274S91.6Very high94.5Very high63 Ų6339.6 Ų39.644%0.44124%0.235SC..  trans-60.5132.2179.7-174.80000111Y266 A267 V272Y266-S274 CarbonylContact O-C 3.32Å; Y266-S274 WeakPolarHBondContact O-CA 3.47Å; Y266-S274 PolarHBondContact O-OG 3Å; A267-S274 PolarHBondContact O-OG 3.19Å; A267-S274 VanDerWaalsContact O-OG 3.09Å; V272-S274 PolarHBondContact O-N 3.34Å
275S94.9Very high94.4Very high37 Ų3744.8 Ų44.826%0.25926%0.258SS..  trans-149.597.7179.5-174.80000110.4Y266 N273 A277 K278 A279Y266-S275 PolarHBondContact O-N 3.01Å; N273-S275 PolarHBondContact O-N 2.88Å; S275-A277 PolarHBondContact O-N 2.64Å; S275-K278 PolarHBondContact O-N 2.87Å; S275-K278 PolarHBondContact OG-N 3.5Å; S275-A279 WeakPolarHBondContact O-CB 3.24Å; S275-A279 PolarHBondContact O-N 3.48Å
276Q94.2Very high94.5Very high58 Ų5844.8 Ų44.827%0.27126%0.258SS..Hα-helixtrans-61-30.2178.7-60.2-56.9-43.100112.5A267 L280A267-Q276 PolarHBondContact O-NE2 2.85Å; Q276-L280 WeakPolarHBondContact O-CB 3.48Å; Q276-L280 PolarHBondContact O-N 3.3Å
277A94.3Very high94.5Very high72 Ų7243.8 Ų43.860%0.59526%0.255SS*.Hα-helixtrans-69-46.5176.200000112.4S275 L280 V281S275-A277 PolarHBondContact O-N 2.64Å; A277-L280 PolarHBondContact O-N 3.35Å; A277-V281 WeakPolarHBondContact O-CG2 3.41Å; A277-V281 PolarHBondContact O-N 3.32Å
278K95.3Very high94.5Very high107 Ų10750.4 Ų50.447%0.46529%0.289SS..Hα-helixtrans-63.5-43.3173.4-74.5-173.9172.8-173.90111.2Y266 S275 L280 V281 Y282Y266-K278 HydrophobicContact CD1-CB 4.28Å; Y266-K278 HydrophobicContact CD1-CD 3.94Å; Y266-K278 HydrophobicContact CD2-CB 4.35Å; Y266-K278 HydrophobicContact CE1-CD 3.71Å; Y266-K278 HydrophobicContact CG-CB 4.06Å; Y266-K278 HydrophobicContact CG-CD 4.43Å; S275-K278 PolarHBondContact O-N 2.87Å; S275-K278 PolarHBondContact OG-N 3.5Å; K278-L280 VanDerWaalsContact C-N 3.34Å; K278-L280 PolarHBondContact O-N 3.01Å; K278-V281 PolarHBondContact O-N 2.84Å; K278-Y282 VanDerWaalsContact O-CD2 3.26Å; K278-Y282 WeakPolarHBondContact O-CD2 3.36Å; K278-Y282 PolarHBondContact O-N 2.97Å
279A96.8Very high94.6Very high0 Ų052.2 Ų52.20%031%0.309CS..Hα-helixtrans-56.1-48.1177.100000111.9G263 A267 S275 V281 Y282 Y283G263-A279 VanDerWaalsContact O-CB 3.27Å; G263-A279 WeakPolarHBondContact O-CB 3.44Å; A267-A279 HydrophobicContact CB-CB 3.83Å; S275-A279 WeakPolarHBondContact O-CB 3.24Å; S275-A279 PolarHBondContact O-N 3.48Å; A279-V281 PolarHBondContact O-N 3.47Å; A279-Y282 PolarHBondContact O-N 3.48Å; A279-Y283 HydrophobicContact CB-CD2 4.34Å; A279-Y283 HydrophobicContact CB-CE2 4.03Å; A279-Y283 WeakPolarHBondContact O-CD2 3.37Å; A279-Y283 VanDerWaalsContact O-CG 3.32Å; A279-Y283 PolarHBondContact O-N 2.9Å
280L96.6Very high94.7Very high37 Ų3754.2 Ų54.219%0.19433%0.329CS..Hα-helixtrans-56.6-47.1177.1-177.566.3000112Q276 A277 K278 Y283 T284 M298 V308Q276-L280 WeakPolarHBondContact O-CB 3.48Å; Q276-L280 PolarHBondContact O-N 3.3Å; A277-L280 PolarHBondContact O-N 3.35Å; K278-L280 VanDerWaalsContact C-N 3.34Å; K278-L280 PolarHBondContact O-N 3.01Å; L280-Y283 PolarHBondContact O-N 3.49Å; L280-T284 WeakPolarHBondContact O-CG2 3.35Å; L280-T284 PolarHBondContact O-N 3.34Å; L280-T284 PolarHBondContact O-OG1 3.25Å; L280-M298 HydrophobicContact CD1-CE 3.69Å; L280-M298 HydrophobicContact CD1-SD 3.77Å; L280-V308 HydrophobicContact CD1-CG1 3.62Å; L280-V308 HydrophobicContact CD2-CG1 3.58Å; L280-V308 HydrophobicContact CG-CG1 4.27Å
281V95.9Very high94.9Very high75 Ų7555 Ų5546%0.45533%0.333SS..Hα-helixtrans-59.2-50177.6173.60000111A277 K278 A279 Y283 T284 F285A277-V281 WeakPolarHBondContact O-CG2 3.41Å; A277-V281 PolarHBondContact O-N 3.32Å; K278-V281 PolarHBondContact O-N 2.84Å; A279-V281 PolarHBondContact O-N 3.47Å; V281-Y283 PolarHBondContact O-N 3.38Å; V281-T284 WeakPolarHBondContact CA-OG1 3.46Å; V281-T284 PolarHBondContact O-N 2.9Å; V281-T284 VanDerWaalsContact O-N 3.17Å; V281-T284 PolarHBondContact O-OG1 2.73Å; V281-F285 HydrophobicContact CG1-CD2 3.8Å; V281-F285 HydrophobicContact CG1-CE2 3.56Å; V281-F285 VanDerWaalsContact O-CD2 3.32Å; V281-F285 WeakPolarHBondContact O-CD2 3.44Å; V281-F285 PolarHBondContact O-N 3.25Å; V281-F285 VanDerWaalsContact O-N 3.08Å
282Y97.4Very high95.3Very high65 Ų6554.7 Ų54.726%0.25532%0.321SS..Hα-helixtrans-61.6-41.2178-82.1-60.5000113.6Q259 L262 Y266 K278 A279 F285 G286Q259-Y282 HydrophobicContact CB-CD1 4.5Å; Q259-Y282 WeakPolarHBondContact O-CB 3.32Å; L262-Y282 HydrophobicContact CB-CD1 4.04Å; L262-Y282 HydrophobicContact CB-CD2 4.18Å; L262-Y282 HydrophobicContact CB-CE1 4.19Å; L262-Y282 HydrophobicContact CB-CE2 4.31Å; L262-Y282 HydrophobicContact CB-CG 4.05Å; L262-Y282 HydrophobicContact CD1-CD1 4.23Å; L262-Y282 HydrophobicContact CD1-CE1 3.68Å; Y266-Y282 AromaticContact CD2-CD2 3.77Å; Y266-Y282 HydrophobicContact CD2-CD2 3.77Å; Y266-Y282 AromaticContact CD2-CE2 3.63Å; Y266-Y282 HydrophobicContact CD2-CE2 3.63Å; Y266-Y282 HydrophobicContact CE2-CD2 4.11Å; Y266-Y282 AromaticContact CE2-CE2 3.48Å; Y266-Y282 HydrophobicContact CE2-CE2 3.48Å; Y266-Y282 VanDerWaalsContact CE2-CE2 3.48Å; K278-Y282 VanDerWaalsContact O-CD2 3.26Å; K278-Y282 WeakPolarHBondContact O-CD2 3.36Å; K278-Y282 PolarHBondContact O-N 2.97Å; A279-Y282 PolarHBondContact O-N 3.48Å; Y282-F285 PolarHBondContact O-N 3.23Å; Y282-G286 PolarHBondContact O-N 3.17Å
283Y97.5Very high95.6Very high0 Ų055.1 Ų55.10%032%0.323CS..Hα-helixtrans-65.4-36173.8-66.5-46.9000112.7M260 F264 A267 A279 L280 V281 A287 I297M260-Y283 HydrophobicContact CG-CD1 4.42Å; M260-Y283 HydrophobicContact CG-CE1 4.43Å; M260-Y283 WeakPolarHBondContact O-CE1 3.44Å; F264-Y283 WeakPolarHBondContact CA-OH 3.08Å; F264-Y283 PolarHBondContact N-OH 2.86Å; A267-Y283 HydrophobicContact CB-CE2 4.22Å; A279-Y283 HydrophobicContact CB-CD2 4.34Å; A279-Y283 HydrophobicContact CB-CE2 4.03Å; A279-Y283 WeakPolarHBondContact O-CD2 3.37Å; A279-Y283 VanDerWaalsContact O-CG 3.32Å; A279-Y283 PolarHBondContact O-N 2.9Å; L280-Y283 PolarHBondContact O-N 3.49Å; V281-Y283 PolarHBondContact O-N 3.38Å; Y283-A287 VanDerWaalsContact O-CB 3.26Å; Y283-A287 WeakPolarHBondContact O-CB 3.28Å; Y283-A287 PolarHBondContact O-N 3.46Å; Y283-I297 HydrophobicContact CD1-CD1 4.24Å; Y283-I297 HydrophobicContact CD1-CG2 4.28Å; Y283-I297 HydrophobicContact CD2-CG2 3.9Å; Y283-I297 HydrophobicContact CE1-CD1 3.57Å; Y283-I297 HydrophobicContact CE1-CG2 4.04Å; Y283-I297 HydrophobicContact CE2-CG2 3.64Å; Y283-I297 HydrophobicContact CG-CG2 4.2Å
284T96.4Very high95.9Very high46 Ų4648 Ų4828%0.28228%0.284SS..Hα-helixtrans-64.8-43.2174.753.90000112.3L280 V281 A287 L288 M298L280-T284 WeakPolarHBondContact O-CG2 3.35Å; L280-T284 PolarHBondContact O-N 3.34Å; L280-T284 PolarHBondContact O-OG1 3.25Å; V281-T284 WeakPolarHBondContact CA-OG1 3.46Å; V281-T284 PolarHBondContact O-N 2.9Å; V281-T284 VanDerWaalsContact O-N 3.17Å; V281-T284 PolarHBondContact O-OG1 2.73Å; T284-A287 PolarHBondContact O-N 3.28Å; T284-L288 WeakPolarHBondContact O-CB 3.49Å; T284-L288 VanDerWaalsContact O-CG 3.27Å; T284-L288 WeakPolarHBondContact O-CG 3.36Å; T284-L288 PolarHBondContact O-N 3.4Å; T284-M298 HydrophobicContact CG2-CE 3.6Å; T284-M298 HydrophobicContact CG2-SD 4.14Å
285F96.4Very high96.2Very high110 Ų11046.2 Ų46.248%0.48227%0.269SS..Hα-helixtrans-66.5-43.9175-73.2-63.4000112.4Q259 V281 Y282 A287 L288 G289Q259-F285 PolarHBondContact OE1-O 3.49Å; V281-F285 HydrophobicContact CG1-CD2 3.8Å; V281-F285 HydrophobicContact CG1-CE2 3.56Å; V281-F285 VanDerWaalsContact O-CD2 3.32Å; V281-F285 WeakPolarHBondContact O-CD2 3.44Å; V281-F285 PolarHBondContact O-N 3.25Å; V281-F285 VanDerWaalsContact O-N 3.08Å; Y282-F285 PolarHBondContact O-N 3.23Å; F285-A287 VanDerWaalsContact C-N 3.31Å; F285-A287 PolarHBondContact O-N 3.25Å; F285-L288 PolarHBondContact O-N 2.89Å; F285-G289 PolarHBondContact O-N 3.2Å
286G97.1Very high96.3Very high0 Ų044.5 Ų44.50%026%0.257CS..Hα-helixtrans-59.2-40174.900000113Y282 G289 G290 N291Y282-G286 PolarHBondContact O-N 3.17Å; G286-G289 CarbonylContact O-C 3.59Å; G286-G289 PolarHBondContact O-N 3.34Å; G286-G290 PolarHBondContact O-N 3.01Å; G286-N291 WeakPolarHBondContact O-CB 3.36Å; G286-N291 PolarHBondContact O-N 2.9Å
287A97.1Very high96.4Very high6 Ų641.8 Ų41.85%0.0524%0.244CC..Hα-helixtrans-68.1-44.3174.800000112Y283 T284 F285 G289 G290 A294 H295Y283-A287 VanDerWaalsContact O-CB 3.26Å; Y283-A287 WeakPolarHBondContact O-CB 3.28Å; Y283-A287 PolarHBondContact O-N 3.46Å; T284-A287 PolarHBondContact O-N 3.28Å; F285-A287 VanDerWaalsContact C-N 3.31Å; F285-A287 PolarHBondContact O-N 3.25Å; A287-G289 PolarHBondContact O-N 3.49Å; A287-G290 WeakPolarHBondContact O-CA 3.34Å; A287-G290 PolarHBondContact O-N 3.24Å; A287-A294 HydrophobicContact CB-CB 4.12Å; A287-H295 PolarHBondContact O-NE2 3.01Å; A287-H295 VanDerWaalsContact O-NE2 3.07Å
288L96.2Very high96.6Very high145 Ų14538.4 Ų38.476%0.75922%0.216SC*.Hα-helixtrans-60.2-34.5174.9-74170.1000112.6T284 F285 G290T284-L288 WeakPolarHBondContact O-CB 3.49Å; T284-L288 VanDerWaalsContact O-CG 3.27Å; T284-L288 WeakPolarHBondContact O-CG 3.36Å; T284-L288 PolarHBondContact O-N 3.4Å; F285-L288 PolarHBondContact O-N 2.89Å; L288-G290 PolarHBondContact O-N 3.23Å
289G94.8Very high96.7Very high46 Ų4633.3 Ų33.347%0.47419%0.194SC..THydrogen-bonded Turntrans-80.413.217100000114.9P256 F285 G286 A287P256-G289 WeakPolarHBondContact CB-O 3.49Å; P256-G289 WeakPolarHBondContact CG-O 3.44Å; F285-G289 PolarHBondContact O-N 3.2Å; G286-G289 CarbonylContact O-C 3.59Å; G286-G289 PolarHBondContact O-N 3.34Å; A287-G289 PolarHBondContact O-N 3.49Å
290G95Very high96.7Very high50 Ų5033.7 Ų33.752%0.51520%0.195SC..THydrogen-bonded Turntrans84.112.3170.700000116.2G286 A287 L288 L292G286-G290 PolarHBondContact O-N 3.01Å; A287-G290 WeakPolarHBondContact O-CA 3.34Å; A287-G290 PolarHBondContact O-N 3.24Å; L288-G290 PolarHBondContact O-N 3.23Å; G290-L292 PolarHBondContact O-N 2.9Å
291N96.6Very high96.7Very high17 Ų1732 Ų329%0.09119%0.186CC..  trans-72.1114.8177.6-171.7-68.9000111.6P256 G286 I293 A294 H295P256-N291 HydrophobicContact CB-CB 4.28Å; G286-N291 WeakPolarHBondContact O-CB 3.36Å; G286-N291 PolarHBondContact O-N 2.9Å; N291-I293 VanDerWaalsContact C-N 3.35Å; N291-I293 PolarHBondContact O-N 3.26Å; N291-I293 WeakPolarHBondContact OD1-CA 3.46Å; N291-I293 WeakPolarHBondContact OD1-CB 3.44Å; N291-I293 PolarHBondContact OD1-N 3.13Å; N291-A294 HydrophobicContact CB-CB 3.91Å; N291-A294 WeakPolarHBondContact O-CB 3.39Å; N291-A294 PolarHBondContact O-N 3.4Å; N291-A294 PolarHBondContact OD1-N 3.07Å; N291-H295 PolarHBondContact O-CD2 3.41Å; N291-H295 PolarHBondContact O-N 3.39Å
292L96.2Very high96.7Very high37 Ų3730.8 Ų30.819%0.19417%0.174CC..Hα-helixtrans-62-38.1-178.3-57.7174.7000113.2G290 H295 M296 V322 H325 W556G290-L292 PolarHBondContact O-N 2.9Å; L292-H295 WeakPolarHBondContact O-CB 3.29Å; L292-H295 PolarHBondContact O-N 3.28Å; L292-M296 PolarHBondContact O-N 2.85Å; L292-V322 WeakPolarHBondContact O-CG2 3.34Å; L292-H325 HydrophobicContact CD1-CB 4.3Å; L292-H325 VanDerWaalsContact CD1-CD2 3.49Å; L292-H325 WeakPolarHBondContact CD1-CD2 3.5Å; L292-H325 HydrophobicContact CD2-CB 4.17Å; L292-W556 HydrophobicContact CB-CZ3 4.39Å; L292-W556 HydrophobicContact CD1-CH2 4.45Å; L292-W556 HydrophobicContact CD1-CZ3 3.94Å
293I96.4Very high96.6Very high36 Ų3629.6 Ų29.619%0.18517%0.169CC..Hα-helixtrans-68-40.6178.7-63.8171.1000109.7M260 N291 H295 M296 I297 Q585M260-I293 HydrophobicContact CE-CB 3.95Å; M260-I293 HydrophobicContact CE-CD1 4Å; M260-I293 HydrophobicContact CE-CG2 3.82Å; M260-I293 HydrophobicContact CG-CB 4.43Å; M260-I293 HydrophobicContact CG-CG2 4.2Å; M260-I293 HydrophobicContact SD-CB 4.41Å; M260-I293 HydrophobicContact SD-CG2 3.8Å; N291-I293 VanDerWaalsContact C-N 3.35Å; N291-I293 PolarHBondContact O-N 3.26Å; N291-I293 WeakPolarHBondContact OD1-CA 3.46Å; N291-I293 WeakPolarHBondContact OD1-CB 3.44Å; N291-I293 PolarHBondContact OD1-N 3.13Å; I293-H295 PolarHBondContact O-N 2.85Å; I293-M296 PolarHBondContact O-N 3.48Å; I293-M296 VanDerWaalsContact O-N 3.17Å; I293-I297 HydrophobicContact CG2-CD1 3.83Å; I293-I297 HydrophobicContact CG2-CG1 4.39Å; I293-I297 VanDerWaalsContact O-CG1 3.29Å; I293-I297 WeakPolarHBondContact O-CG1 3.4Å; I293-I297 PolarHBondContact O-N 2.93Å; I293-Q585 HydrophobicContact CG2-CG 3.87Å
294A97.5Very high96.5Very high0 Ų031.8 Ų31.80%019%0.187CC..Hα-helixtrans-61.9-42.217300000111.7M260 A287 N291 M296 I297 M298M260-A294 HydrophobicContact CB-CB 4.13Å; M260-A294 HydrophobicContact CG-CB 3.92Å; A287-A294 HydrophobicContact CB-CB 4.12Å; N291-A294 HydrophobicContact CB-CB 3.91Å; N291-A294 WeakPolarHBondContact O-CB 3.39Å; N291-A294 PolarHBondContact O-N 3.4Å; N291-A294 PolarHBondContact OD1-N 3.07Å; A294-M296 PolarHBondContact O-N 2.83Å; A294-I297 PolarHBondContact O-N 3.43Å; A294-M298 WeakPolarHBondContact O-CB 3.47Å; A294-M298 WeakPolarHBondContact O-CG 3.16Å; A294-M298 PolarHBondContact O-N 3.49Å
295H97.6Very high96.4Very high27 Ų2731 Ų3113%0.12519%0.188CC..Hα-helixtrans-58.8-44.4170.9-89.6-93.6000112.3A287 N291 L292 I293 M298 G299 H318 V322A287-H295 PolarHBondContact O-NE2 3.01Å; A287-H295 VanDerWaalsContact O-NE2 3.07Å; N291-H295 PolarHBondContact O-CD2 3.41Å; N291-H295 PolarHBondContact O-N 3.39Å; L292-H295 WeakPolarHBondContact O-CB 3.29Å; L292-H295 PolarHBondContact O-N 3.28Å; I293-H295 PolarHBondContact O-N 2.85Å; H295-M298 PolarHBondContact O-N 3.49Å; H295-G299 PolarHBondContact O-N 3.37Å; H295-H318 AromaticContact CE1-ND1 3.78Å; H295-H318 AromaticContact CG-ND1 3.91Å; H295-H318 AromaticContact ND1-CG 3.96Å; H295-H318 AromaticContact ND1-ND1 3.19Å; H295-H318 PolarHBondContact ND1-ND1 3.14Å; H295-H318 VanDerWaalsContact ND1-ND1 3.19Å; H295-H318 WeakPolarHBondContact O-CB 3.32Å; H295-V322 HydrophobicContact CB-CG2 3.45Å; H295-V322 VanDerWaalsContact CB-CG2 3.45Å
296M96.8Very high96.2Very high1 Ų127.1 Ų27.11%0.00517%0.174CC..Hα-helixtrans-63.6-43.9179.4-177.5156.817000112.2L292 I293 A294 G299 Y300 Y319 V322 C551 E552 W556 Q585 Y587L292-M296 PolarHBondContact O-N 2.85Å; I293-M296 PolarHBondContact O-N 3.48Å; I293-M296 VanDerWaalsContact O-N 3.17Å; A294-M296 PolarHBondContact O-N 2.83Å; M296-G299 PolarHBondContact O-N 3.2Å; M296-Y300 PolarHBondContact O-N 2.87Å; M296-Y319 HydrophobicContact CG-CE1 4.23Å; M296-V322 HydrophobicContact CB-CG2 4.45Å; M296-C551 HydrophobicContact CE-CB 4.4Å; M296-C551 HydrophobicContact SD-CB 3.95Å; M296-E552 HydrophobicContact CE-CG 3.98Å; M296-W556 HydrophobicContact SD-CZ2 4.23Å; M296-W556 PolarHBondContact SD-NE1 3.2Å; M296-Q585 HydrophobicContact CE-CB 4.05Å; M296-Q585 HydrophobicContact CG-CB 4.14Å; M296-Q585 HydrophobicContact CG-CG 4.41Å; M296-Q585 HydrophobicContact SD-CB 4.47Å; M296-Y587 HydrophobicContact CE-CD2 4.08Å; M296-Y587 HydrophobicContact CE-CE2 3.47Å; M296-Y587 VanDerWaalsContact CE-CE2 3.47Å
297I97.6Very high95.8Very high0 Ų029.7 Ų29.70%020%0.2CC..Hα-helixtrans-63.4-45.1174.9-65.1166.5000111M260 Y283 I293 A294 G299 Y300 R301 Q585M260-I297 HydrophobicContact SD-CD1 4.48Å; Y283-I297 HydrophobicContact CD1-CD1 4.24Å; Y283-I297 HydrophobicContact CD1-CG2 4.28Å; Y283-I297 HydrophobicContact CD2-CG2 3.9Å; Y283-I297 HydrophobicContact CE1-CD1 3.57Å; Y283-I297 HydrophobicContact CE1-CG2 4.04Å; Y283-I297 HydrophobicContact CE2-CG2 3.64Å; Y283-I297 HydrophobicContact CG-CG2 4.2Å; I293-I297 HydrophobicContact CG2-CD1 3.83Å; I293-I297 HydrophobicContact CG2-CG1 4.39Å; I293-I297 VanDerWaalsContact O-CG1 3.29Å; I293-I297 WeakPolarHBondContact O-CG1 3.4Å; I293-I297 PolarHBondContact O-N 2.93Å; A294-I297 PolarHBondContact O-N 3.43Å; I297-G299 VanDerWaalsContact C-N 3.34Å; I297-G299 PolarHBondContact O-N 3.46Å; I297-Y300 PolarHBondContact O-N 3.46Å; I297-R301 HydrophobicContact CG2-CG 4.34Å; I297-R301 WeakPolarHBondContact O-CB 3.27Å; I297-R301 VanDerWaalsContact O-CG 3.29Å; I297-R301 WeakPolarHBondContact O-CG 3.26Å; I297-R301 PolarHBondContact O-N 3.3Å; I297-Q585 HydrophobicContact CD1-CG 4.21Å; I297-Q585 HydrophobicContact CG1-CB 4.34Å; I297-Q585 HydrophobicContact CG1-CG 3.71Å
298M97.3Very high95.7Very high1 Ų130.7 Ų30.71%0.00521%0.205CC..Hα-helixtrans-62.6-40.4176-72-63.2-59.300112L280 T284 A294 H295 R301 Y302L280-M298 HydrophobicContact CD1-CE 3.69Å; L280-M298 HydrophobicContact CD1-SD 3.77Å; T284-M298 HydrophobicContact CG2-CE 3.6Å; T284-M298 HydrophobicContact CG2-SD 4.14Å; A294-M298 WeakPolarHBondContact O-CB 3.47Å; A294-M298 WeakPolarHBondContact O-CG 3.16Å; A294-M298 PolarHBondContact O-N 3.49Å; H295-M298 PolarHBondContact O-N 3.49Å; M298-R301 PolarHBondContact O-N 2.89Å; M298-Y302 HydrophobicContact CE-CD2 4.29Å; M298-Y302 HydrophobicContact CE-CE2 3.51Å; M298-Y302 VanDerWaalsContact O-CD2 3.24Å; M298-Y302 WeakPolarHBondContact O-CD2 3.27Å; M298-Y302 PolarHBondContact O-N 3.05Å
299G96.9Very high95.7Very high0 Ų028.4 Ų28.40%020%0.201CC..Hα-helixtrans-57.1-49.317300000111.9H295 M296 I297 W303 A315H295-G299 PolarHBondContact O-N 3.37Å; M296-G299 PolarHBondContact O-N 3.2Å; I297-G299 VanDerWaalsContact C-N 3.34Å; I297-G299 PolarHBondContact O-N 3.46Å; G299-W303 WeakPolarHBondContact O-CB 3.19Å; G299-W303 PolarHBondContact O-N 3.49Å; G299-A315 WeakPolarHBondContact O-CB 3.33Å
300Y96.6Very high95.7Very high8 Ų833.2 Ų33.23%0.03121%0.212CC..Hα-helixtrans-64-41.7176.8-178.5-116000112.5M296 I297 W303 A304 Y319 G586 Q591M296-Y300 PolarHBondContact O-N 2.87Å; I297-Y300 PolarHBondContact O-N 3.46Å; Y300-W303 WeakPolarHBondContact O-CB 3.32Å; Y300-W303 PolarHBondContact O-N 3.47Å; Y300-A304 HydrophobicContact CD2-CB 4.47Å; Y300-A304 HydrophobicContact CE1-CB 4.46Å; Y300-A304 HydrophobicContact CE2-CB 4.01Å; Y300-A304 WeakPolarHBondContact O-CB 3.45Å; Y300-A304 PolarHBondContact O-N 3.21Å; Y300-Y319 VanDerWaalsContact CA-OH 3.28Å; Y300-Y319 WeakPolarHBondContact CA-OH 3.27Å; Y300-Y319 WeakPolarHBondContact CB-OH 3.45Å; Y300-Y319 PolarHBondContact N-OH 3.3Å; Y300-G586 VanDerWaalsContact CG-CA 3.47Å; Y300-Q591 VanDerWaalsContact CZ-NE2 3.32Å; Y300-Q591 PolarHBondContact OH-NE2 2.57Å
301R96.6Very high95.8Very high2 Ų232.3 Ų32.31%0.00820%0.198CC..Hα-helixtrans-62.7-44178.9-75.4175.1169.5-91.7-1.2112.6I297 M298 W303 G305 V306 V308 E584I297-R301 HydrophobicContact CG2-CG 4.34Å; I297-R301 WeakPolarHBondContact O-CB 3.27Å; I297-R301 VanDerWaalsContact O-CG 3.29Å; I297-R301 WeakPolarHBondContact O-CG 3.26Å; I297-R301 PolarHBondContact O-N 3.3Å; M298-R301 PolarHBondContact O-N 2.89Å; R301-W303 VanDerWaalsContact C-N 3.34Å; R301-G305 CarbonylContact O-C 3.6Å; R301-G305 WeakPolarHBondContact O-CA 3.41Å; R301-G305 PolarHBondContact O-N 3.16Å; R301-V306 HydrophobicContact CG-CB 4.22Å; R301-V306 PolarHBondContact NH1-O 3.47Å; R301-V306 PolarHBondContact O-N 2.82Å; R301-V308 HydrophobicContact CB-CG2 4.27Å; R301-V308 VanDerWaalsContact O-CG2 3.3Å; R301-V308 WeakPolarHBondContact O-CG2 3.4Å; R301-E584 IonicContact CZ-OE2 2.77Å; R301-E584 IonicContact NE-OE2 3.61Å; R301-E584 IonicContact NH2-OE1 2.68Å; R301-E584 IonicContact NH2-OE2 3.65Å; R301-E584 PolarHBondContact NH2-OE2 3.41Å
302Y97.1Very high95.8Very high50 Ų5033.2 Ų33.220%0.19621%0.205CC..Hα-helixtrans-69.1-30.5173.6-77.5-60.8000113.3M298 V308 Q310 S311 H318M298-Y302 HydrophobicContact CE-CD2 4.29Å; M298-Y302 HydrophobicContact CE-CE2 3.51Å; M298-Y302 VanDerWaalsContact O-CD2 3.24Å; M298-Y302 WeakPolarHBondContact O-CD2 3.27Å; M298-Y302 PolarHBondContact O-N 3.05Å; Y302-V308 HydrophobicContact CD1-CB 4.02Å; Y302-V308 HydrophobicContact CD1-CG2 3.62Å; Y302-V308 HydrophobicContact CE1-CB 3.89Å; Y302-V308 HydrophobicContact CE1-CG1 4.06Å; Y302-V308 HydrophobicContact CE1-CG2 3.97Å; Y302-V308 HydrophobicContact CG-CG2 4.19Å; Y302-Q310 WeakPolarHBondContact O-CA 3.48Å; Y302-S311 PolarHBondContact O-N 3.23Å; Y302-H318 AromaticContact CD2-CD2 3.84Å; Y302-H318 AromaticContact CE2-CD2 3.9Å; Y302-H318 AromaticContact CE2-NE2 3.62Å
303W95.8Very high95.7Very high40 Ų4035.6 Ų35.615%0.15222%0.215CC..Hα-helixtrans-71.1-45.5176.4176.8-108.8000112.9G299 Y300 R301 Q310 A315 H541 V544 E545G299-W303 WeakPolarHBondContact O-CB 3.19Å; G299-W303 PolarHBondContact O-N 3.49Å; Y300-W303 WeakPolarHBondContact O-CB 3.32Å; Y300-W303 PolarHBondContact O-N 3.47Å; R301-W303 VanDerWaalsContact C-N 3.34Å; W303-Q310 WeakPolarHBondContact O-CG 3.28Å; W303-Q310 PolarHBondContact O-NE2 3.13Å; W303-A315 HydrophobicContact CB-CB 4.09Å; W303-H541 HydrophobicContact CH2-CB 4.35Å; W303-H541 AromaticContact CH2-CE1 3.45Å; W303-H541 VanDerWaalsContact CH2-CE1 3.45Å; W303-H541 WeakPolarHBondContact CH2-CE1 3.41Å; W303-H541 AromaticContact CH2-CG 3.67Å; W303-H541 AromaticContact CH2-ND1 3.12Å; W303-H541 WeakPolarHBondContact CH2-ND1 3.32Å; W303-H541 AromaticContact CZ2-CE1 3.77Å; W303-H541 AromaticContact CZ2-ND1 3.91Å; W303-H541 AromaticContact CZ3-ND1 3.72Å; W303-V544 HydrophobicContact CD2-CG1 3.77Å; W303-V544 HydrophobicContact CE3-CB 3.91Å; W303-V544 HydrophobicContact CE3-CG1 3.38Å; W303-V544 HydrophobicContact CE3-CG2 4.4Å; W303-V544 HydrophobicContact CG-CG1 4.33Å; W303-V544 HydrophobicContact CH2-CB 4.19Å; W303-V544 HydrophobicContact CH2-CG1 4.19Å; W303-V544 HydrophobicContact CZ3-CB 3.63Å; W303-V544 HydrophobicContact CZ3-CG1 3.61Å; W303-V544 HydrophobicContact CZ3-CG2 4.24Å; W303-E545 HydrophobicContact CH2-CG 3.85Å; W303-E545 HydrophobicContact CZ2-CG 3.72Å
304A94.2Very high95.7Very high45 Ų4535.7 Ų35.737%0.37222%0.219SC..Hα-helixtrans-93-8.9-176.200000114.1Y300 V306Y300-A304 HydrophobicContact CD2-CB 4.47Å; Y300-A304 HydrophobicContact CE1-CB 4.46Å; Y300-A304 HydrophobicContact CE2-CB 4.01Å; Y300-A304 WeakPolarHBondContact O-CB 3.45Å; Y300-A304 PolarHBondContact O-N 3.21Å; A304-V306 HydrophobicContact CB-CG2 3.92Å
305G93.9Very high95.7Very high30 Ų3035.7 Ų35.731%0.30922%0.219SC..THydrogen-bonded Turntrans76.727.4-178.700000114.6R301 G307 V308R301-G305 CarbonylContact O-C 3.6Å; R301-G305 WeakPolarHBondContact O-CA 3.41Å; R301-G305 PolarHBondContact O-N 3.16Å; G305-G307 PolarHBondContact O-N 3.39Å; G305-V308 CarbonylContact C-O 3.51Å; G305-V308 VanDerWaalsContact C-O 3.23Å; G305-V308 VanDerWaalsContact CA-O 3.27Å; G305-V308 WeakPolarHBondContact CA-O 3.48Å
306V92.2Very high95.7Very high29 Ų2934.8 Ų34.818%0.17622%0.215CC..SBendtrans-86.995.3-172.2-178.10000111.1R301 A304 V308R301-V306 HydrophobicContact CG-CB 4.22Å; R301-V306 PolarHBondContact NH1-O 3.47Å; R301-V306 PolarHBondContact O-N 2.82Å; A304-V306 HydrophobicContact CB-CG2 3.92Å; V306-V308 PolarHBondContact O-N 3.26Å
307G89.9Confident95.7Very high54 Ų5437.9 Ų37.956%0.55723%0.234SC*.SBendtrans795-178.400000114.4G305G305-G307 PolarHBondContact O-N 3.39Å
308V95Very high95.7Very high26 Ų2639.4 Ų39.416%0.15824%0.241CC..SBendtrans-142.9155.9178.2-69.30000109.4L280 R301 Y302 G305 V306 Q310L280-V308 HydrophobicContact CD1-CG1 3.62Å; L280-V308 HydrophobicContact CD2-CG1 3.58Å; L280-V308 HydrophobicContact CG-CG1 4.27Å; R301-V308 HydrophobicContact CB-CG2 4.27Å; R301-V308 VanDerWaalsContact O-CG2 3.3Å; R301-V308 WeakPolarHBondContact O-CG2 3.4Å; Y302-V308 HydrophobicContact CD1-CB 4.02Å; Y302-V308 HydrophobicContact CD1-CG2 3.62Å; Y302-V308 HydrophobicContact CE1-CB 3.89Å; Y302-V308 HydrophobicContact CE1-CG1 4.06Å; Y302-V308 HydrophobicContact CE1-CG2 3.97Å; Y302-V308 HydrophobicContact CG-CG2 4.19Å; G305-V308 CarbonylContact C-O 3.51Å; G305-V308 VanDerWaalsContact C-O 3.23Å; G305-V308 VanDerWaalsContact CA-O 3.27Å; G305-V308 WeakPolarHBondContact CA-O 3.48Å; V306-V308 PolarHBondContact O-N 3.26Å; V308-Q310 PolarHBondContact O-N 3.39Å
309S95.3Very high95.7Very high97 Ų9739.3 Ų39.368%0.67824%0.241SC*.  trans-62.6135.3170.455.30000110.7S311S309-S311 PolarHBondContact O-N 3.39Å
310Q95.6Very high95.7Very high147 Ų14744.1 Ų44.169%0.68726%0.259SS*.  trans-57.7123.6177.5-167.6178.331.500110.8Y302 W303 V308Y302-Q310 WeakPolarHBondContact O-CA 3.48Å; W303-Q310 WeakPolarHBondContact O-CG 3.28Å; W303-Q310 PolarHBondContact O-NE2 3.13Å; V308-Q310 PolarHBondContact O-N 3.39Å
311S96.4Very high95.7Very high32 Ų3246.9 Ų46.922%0.22428%0.276CS..  trans-146.6104.8-175.9178.20000110.6Y302 S309 S314 A315Y302-S311 PolarHBondContact O-N 3.23Å; S309-S311 PolarHBondContact O-N 3.39Å; S311-S314 WeakPolarHBondContact CB-OG 3.37Å; S311-S314 PolarHBondContact O-N 3.31Å; S311-S314 WeakPolarHBondContact OG-CB 3.43Å; S311-S314 PolarHBondContact OG-N 2.88Å; S311-S314 PolarHBondContact OG-OG 2.75Å; S311-A315 PolarHBondContact O-N 2.95Å
312C96.4Very high95.7Very high36 Ų3646.8 Ų46.824%0.24328%0.276CS..Hα-helixtrans-63.3-43.6-179.8-176.20000112.3S314 A315 L316 C540 H541C312-S314 VanDerWaalsContact C-N 3.34Å; C312-S314 PolarHBondContact O-N 3.11Å; C312-A315 PolarHBondContact O-N 3.01Å; C312-L316 WeakPolarHBondContact O-CB 3.29Å; C312-L316 PolarHBondContact O-N 3.23Å; C312-C540 HydrophobicContact CB-CB 4.1Å; C312-C540 WeakPolarHBondContact CB-SG 3.32Å; C312-C540 PolarHBondContact O-SG 3.42Å; C312-C540 VanDerWaalsContact O-SG 3.33Å; C312-C540 WeakPolarHBondContact SG-CB 3.34Å; C312-C540 PolarHBondContact SG-O 3.48Å; C312-C540 VanDerWaalsContact SG-O 3.35Å; C312-C540 CovalentContact SG-SG 2.04Å; C312-C540 PolarHBondContact SG-SG 3.44Å; C312-H541 PolarHBondContact SG-N 3.08Å; C312-H541 VanDerWaalsContact SG-N 3.44Å
313E95.6Very high95.7Very high86 Ų8644.4 Ų44.440%0.40227%0.267SS..Hα-helixtrans-64-40.5-179.2-67.1-70152.900111.2L316 T317 R538E313-L316 PolarHBondContact O-N 3.37Å; E313-T317 WeakPolarHBondContact O-CG2 3.38Å; E313-T317 PolarHBondContact O-N 3.29Å; E313-R538 IonicContact OE1-CZ 3.52Å; E313-R538 IonicContact OE1-NE 3.67Å; E313-R538 IonicContact OE1-NH2 2.68Å; E313-R538 PolarHBondContact OE1-NH2 3.22Å; E313-R538 IonicContact OE2-NH2 3.62Å; E313-R538 PolarHBondContact OE2-NH2 3.38Å
314S96.4Very high95.7Very high38 Ų3845.9 Ų45.927%0.26628%0.277SS..Hα-helixtrans-61.9-48.5173.8-55.30000111.1S311 C312 L316 T317 H318S311-S314 WeakPolarHBondContact CB-OG 3.37Å; S311-S314 PolarHBondContact O-N 3.31Å; S311-S314 WeakPolarHBondContact OG-CB 3.43Å; S311-S314 PolarHBondContact OG-N 2.88Å; S311-S314 PolarHBondContact OG-OG 2.75Å; C312-S314 VanDerWaalsContact C-N 3.34Å; C312-S314 PolarHBondContact O-N 3.11Å; S314-L316 VanDerWaalsContact C-N 3.33Å; S314-L316 PolarHBondContact O-N 3.26Å; S314-T317 PolarHBondContact O-N 3.44Å; S314-T317 PolarHBondContact O-OG1 3.43Å; S314-H318 PolarHBondContact O-CD2 3.32Å; S314-H318 PolarHBondContact O-N 2.99Å
315A97.4Very high95.7Very high0 Ų047.2 Ų47.20%028%0.276CS..Hα-helixtrans-57-45.1175.800000112.1G299 W303 S311 C312 T317 H318 Y319 V544G299-A315 WeakPolarHBondContact O-CB 3.33Å; W303-A315 HydrophobicContact CB-CB 4.09Å; S311-A315 PolarHBondContact O-N 2.95Å; C312-A315 PolarHBondContact O-N 3.01Å; A315-T317 PolarHBondContact O-N 2.84Å; A315-H318 PolarHBondContact O-N 3.21Å; A315-Y319 HydrophobicContact CB-CD2 4.35Å; A315-Y319 WeakPolarHBondContact O-CB 3.42Å; A315-Y319 VanDerWaalsContact O-CD2 3.32Å; A315-Y319 WeakPolarHBondContact O-CD2 3.44Å; A315-Y319 PolarHBondContact O-N 2.88Å; A315-V544 HydrophobicContact CB-CG1 4.29Å; A315-V544 HydrophobicContact CB-CG2 4.32Å
316L97.2Very high95.7Very high9 Ų946 Ų465%0.04726%0.262CS..Hα-helixtrans-60-41.7177.9-173.8122.9000112.2C312 E313 S314 H318 R320 A531 A543 V544 F547C312-L316 WeakPolarHBondContact O-CB 3.29Å; C312-L316 PolarHBondContact O-N 3.23Å; E313-L316 PolarHBondContact O-N 3.37Å; S314-L316 VanDerWaalsContact C-N 3.33Å; S314-L316 PolarHBondContact O-N 3.26Å; L316-H318 PolarHBondContact O-N 3.33Å; L316-R320 WeakPolarHBondContact O-CB 3.32Å; L316-R320 PolarHBondContact O-N 3.32Å; L316-A531 HydrophobicContact CD1-CB 4.02Å; L316-A531 HydrophobicContact CD2-CB 4.43Å; L316-A543 HydrophobicContact CD1-CB 3.56Å; L316-V544 HydrophobicContact CB-CG2 3.67Å; L316-V544 HydrophobicContact CD1-CG2 4.03Å; L316-V544 HydrophobicContact CG-CG2 4.38Å; L316-F547 HydrophobicContact CD1-CD2 4.36Å; L316-F547 HydrophobicContact CD1-CE2 4.33Å; L316-F547 HydrophobicContact CG-CE2 4.48Å
317T96.4Very high95.7Very high66 Ų6645.4 Ų45.441%0.40526%0.261SS..Hα-helixtrans-62.6-41.8177.359.60000112.7E313 S314 A315E313-T317 WeakPolarHBondContact O-CG2 3.38Å; E313-T317 PolarHBondContact O-N 3.29Å; S314-T317 PolarHBondContact O-N 3.44Å; S314-T317 PolarHBondContact O-OG1 3.43Å; A315-T317 PolarHBondContact O-N 2.84Å
318H97.5Very high95.7Very high31 Ų3147.2 Ų47.214%0.14426%0.264CS..Hα-helixtrans-70.6-49.3178-75.8-77.4000112.2H295 Y302 S314 A315 L316 R320 V321 V322H295-H318 AromaticContact CE1-ND1 3.78Å; H295-H318 AromaticContact CG-ND1 3.91Å; H295-H318 AromaticContact ND1-CG 3.96Å; H295-H318 AromaticContact ND1-ND1 3.19Å; H295-H318 PolarHBondContact ND1-ND1 3.14Å; H295-H318 VanDerWaalsContact ND1-ND1 3.19Å; H295-H318 WeakPolarHBondContact O-CB 3.32Å; Y302-H318 AromaticContact CD2-CD2 3.84Å; Y302-H318 AromaticContact CE2-CD2 3.9Å; Y302-H318 AromaticContact CE2-NE2 3.62Å; S314-H318 PolarHBondContact O-CD2 3.32Å; S314-H318 PolarHBondContact O-N 2.99Å; A315-H318 PolarHBondContact O-N 3.21Å; L316-H318 PolarHBondContact O-N 3.33Å; H318-R320 VanDerWaalsContact C-N 3.31Å; H318-R320 PolarHBondContact O-N 2.89Å; H318-V321 PolarHBondContact O-N 2.89Å; H318-V322 PolarHBondContact O-N 2.92Å
319Y97.9Very high95.3Very high0 Ų049 Ų490%027%0.273CS..Hα-helixtrans-63-35179.8-81.1-58.6000112.7M296 Y300 A315 V321 V322 A323 V544 K548 C551M296-Y319 HydrophobicContact CG-CE1 4.23Å; Y300-Y319 VanDerWaalsContact CA-OH 3.28Å; Y300-Y319 WeakPolarHBondContact CA-OH 3.27Å; Y300-Y319 WeakPolarHBondContact CB-OH 3.45Å; Y300-Y319 PolarHBondContact N-OH 3.3Å; A315-Y319 HydrophobicContact CB-CD2 4.35Å; A315-Y319 WeakPolarHBondContact O-CB 3.42Å; A315-Y319 VanDerWaalsContact O-CD2 3.32Å; A315-Y319 WeakPolarHBondContact O-CD2 3.44Å; A315-Y319 PolarHBondContact O-N 2.88Å; Y319-V321 VanDerWaalsContact C-N 3.33Å; Y319-V321 PolarHBondContact O-N 3.06Å; Y319-V322 PolarHBondContact O-N 2.67Å; Y319-A323 VanDerWaalsContact O-CB 3.25Å; Y319-A323 WeakPolarHBondContact O-CB 3.46Å; Y319-A323 PolarHBondContact O-N 3.36Å; Y319-V544 HydrophobicContact CD2-CG1 3.8Å; Y319-V544 HydrophobicContact CE2-CG1 3.9Å; Y319-K548 HydrophobicContact CE1-CB 4.18Å; Y319-K548 HydrophobicContact CE1-CG 4.26Å; Y319-K548 HydrophobicContact CE2-CB 4.43Å; Y319-C551 HydrophobicContact CD1-CB 4.25Å; Y319-C551 PolarHBondContact O-SG 3.49Å
320R96.8Very high94.8Very high101 Ų10146 Ų4638%0.38125%0.251SS..Hα-helixtrans-61.9-37.8176.3-175.3179.363.5-174.5-1.5112.6L316 H318 A323 N324 F547L316-R320 WeakPolarHBondContact O-CB 3.32Å; L316-R320 PolarHBondContact O-N 3.32Å; H318-R320 VanDerWaalsContact C-N 3.31Å; H318-R320 PolarHBondContact O-N 2.89Å; R320-A323 PolarHBondContact O-N 2.89Å; R320-N324 WeakPolarHBondContact O-CB 3.34Å; R320-N324 PolarHBondContact O-N 3.31Å; R320-N324 PolarHBondContact O-OD1 3.08Å; R320-F547 HydrophobicContact CB-CE2 4.38Å; R320-F547 HydrophobicContact CB-CZ 4.47Å; R320-F547 HydrophobicContact CG-CZ 4.2Å
321V96.3Very high93.9Very high66 Ų6641.1 Ų41.140%0.423%0.233SC..Hα-helixtrans-61.3-46.7176.4173.70000110.7H318 Y319 H325H318-V321 PolarHBondContact O-N 2.89Å; Y319-V321 VanDerWaalsContact C-N 3.33Å; Y319-V321 PolarHBondContact O-N 3.06Å; V321-H325 PolarHBondContact O-N 3.15Å
322V97Very high92.5Very high0 Ų042 Ų420%024%0.235CC..Hα-helixtrans-68.3-44.3179.4-176.60000111.1L292 H295 M296 H318 Y319 N324 H325 V326 C551 W556L292-V322 WeakPolarHBondContact O-CG2 3.34Å; H295-V322 HydrophobicContact CB-CG2 3.45Å; H295-V322 VanDerWaalsContact CB-CG2 3.45Å; M296-V322 HydrophobicContact CB-CG2 4.45Å; H318-V322 PolarHBondContact O-N 2.92Å; Y319-V322 PolarHBondContact O-N 2.67Å; V322-N324 VanDerWaalsContact C-N 3.33Å; V322-N324 PolarHBondContact O-N 3.07Å; V322-H325 WeakPolarHBondContact O-CB 3.43Å; V322-H325 PolarHBondContact O-N 2.55Å; V322-H325 VanDerWaalsContact O-N 3.14Å; V322-V326 HydrophobicContact CG1-CG2 4.46Å; V322-V326 WeakPolarHBondContact O-CG2 3.48Å; V322-V326 PolarHBondContact O-N 2.96Å; V322-C551 HydrophobicContact CG1-CB 3.94Å; V322-W556 HydrophobicContact CG1-CH2 3.49Å; V322-W556 VanDerWaalsContact CG1-CH2 3.49Å; V322-W556 HydrophobicContact CG1-CZ2 3.48Å; V322-W556 VanDerWaalsContact CG1-CZ2 3.48Å
323A96.2Very high90.9Very high0 Ų040.9 Ų40.90%023%0.227CC..Hα-helixtrans-64.6-35.2-179.900000112.8Y319 R320 V326 A327 Y524 F547 V550Y319-A323 VanDerWaalsContact O-CB 3.25Å; Y319-A323 WeakPolarHBondContact O-CB 3.46Å; Y319-A323 PolarHBondContact O-N 3.36Å; R320-A323 PolarHBondContact O-N 2.89Å; A323-V326 PolarHBondContact O-N 2.97Å; A323-A327 VanDerWaalsContact O-CB 3.24Å; A323-A327 WeakPolarHBondContact O-CB 3.49Å; A323-A327 PolarHBondContact O-N 3.22Å; A323-Y524 HydrophobicContact CB-CD2 4.16Å; A323-Y524 HydrophobicContact CB-CE2 4.45Å; A323-F547 HydrophobicContact CB-CB 4.35Å; A323-F547 HydrophobicContact CB-CD1 3.43Å; A323-F547 VanDerWaalsContact CB-CD1 3.43Å; A323-F547 HydrophobicContact CB-CE1 4.07Å; A323-F547 HydrophobicContact CB-CG 4.23Å; A323-V550 HydrophobicContact CB-CB 4.35Å; A323-V550 HydrophobicContact CB-CG1 3.92Å
324N95.4Very high89.5Confident70 Ų7037.9 Ų37.937%0.37422%0.219SC..Hα-helixtrans-60.2-44.8172-71.66.1000111.2R320 V322 A327 S328 Y524R320-N324 WeakPolarHBondContact O-CB 3.34Å; R320-N324 PolarHBondContact O-N 3.31Å; R320-N324 PolarHBondContact O-OD1 3.08Å; V322-N324 VanDerWaalsContact C-N 3.33Å; V322-N324 PolarHBondContact O-N 3.07Å; N324-A327 PolarHBondContact O-N 3.29Å; N324-S328 PolarHBondContact O-N 3.04Å; N324-S328 PolarHBondContact O-OG 3.49Å; N324-Y524 WeakPolarHBondContact OD1-CE2 3.34Å; N324-Y524 PolarHBondContact OD1-OH 2.95Å; N324-Y524 VanDerWaalsContact OD1-OH 3.13Å
325H94.8Very high88Confident73 Ų7338.6 Ų38.634%0.33823%0.233SC..Hα-helixtrans-67.4-41.3177.7-173.2-56.9000112L292 V321 V322 A327 S328 D329L292-H325 HydrophobicContact CD1-CB 4.3Å; L292-H325 VanDerWaalsContact CD1-CD2 3.49Å; L292-H325 WeakPolarHBondContact CD1-CD2 3.5Å; L292-H325 HydrophobicContact CD2-CB 4.17Å; V321-H325 PolarHBondContact O-N 3.15Å; V322-H325 WeakPolarHBondContact O-CB 3.43Å; V322-H325 PolarHBondContact O-N 2.55Å; V322-H325 VanDerWaalsContact O-N 3.14Å; H325-A327 VanDerWaalsContact C-N 3.32Å; H325-A327 PolarHBondContact O-N 3.43Å; H325-S328 WeakPolarHBondContact CA-OG 3.43Å; H325-S328 PolarHBondContact O-N 3.4Å; H325-S328 PolarHBondContact O-OG 3.33Å; H325-D329 IonicContact CE1-OD1 3.35Å; H325-D329 PolarHBondContact CE1-OD1 3.39Å; H325-D329 IonicContact CE1-OD2 2.95Å; H325-D329 PolarHBondContact CE1-OD2 2.73Å; H325-D329 IonicContact ND1-OD1 2.82Å; H325-D329 IonicContact ND1-OD2 2.55Å; H325-D329 PolarHBondContact ND1-OD2 2.82Å; H325-D329 WeakPolarHBondContact O-CB 3.4Å; H325-D329 PolarHBondContact O-N 3.39Å; H325-D329 VanDerWaalsContact O-N 3.12Å
326V93.7Very high86.7Confident5 Ų541.2 Ų41.23%0.0325%0.251CS..Hα-helixtrans-62.4-43.5174.2176.30000110V322 A323 S328 D329 V330 I520 V550 W556V322-V326 HydrophobicContact CG1-CG2 4.46Å; V322-V326 WeakPolarHBondContact O-CG2 3.48Å; V322-V326 PolarHBondContact O-N 2.96Å; A323-V326 PolarHBondContact O-N 2.97Å; V326-S328 VanDerWaalsContact C-N 3.33Å; V326-S328 PolarHBondContact O-N 3.22Å; V326-D329 PolarHBondContact O-N 2.04Å; V326-D329 VanDerWaalsContact O-N 3.11Å; V326-V330 WeakPolarHBondContact O-CG2 3.05Å; V326-V330 PolarHBondContact O-N 3.35Å; V326-I520 HydrophobicContact CG1-CG2 4.13Å; V326-V550 HydrophobicContact CB-CG1 4.04Å; V326-V550 HydrophobicContact CG1-CG1 3.94Å; V326-W556 HydrophobicContact CG2-CH2 3.41Å; V326-W556 VanDerWaalsContact CG2-CH2 3.41Å; V326-W556 HydrophobicContact CG2-CZ2 3.71Å; V326-W556 HydrophobicContact CG2-CZ3 4.42Å
327A91.9Very high85.5Confident17 Ų1743.4 Ų43.414%0.1427%0.27CS..Hα-helixtrans-64.4-32.5179.500000113.6A323 N324 H325 L521 Y524A323-A327 VanDerWaalsContact O-CB 3.24Å; A323-A327 WeakPolarHBondContact O-CB 3.49Å; A323-A327 PolarHBondContact O-N 3.22Å; N324-A327 PolarHBondContact O-N 3.29Å; H325-A327 VanDerWaalsContact C-N 3.32Å; H325-A327 PolarHBondContact O-N 3.43Å; A327-L521 HydrophobicContact CB-CD2 3.8Å; A327-L521 WeakPolarHBondContact O-CD2 3.1Å; A327-Y524 HydrophobicContact CB-CD1 3.98Å; A327-Y524 HydrophobicContact CB-CD2 3.83Å; A327-Y524 HydrophobicContact CB-CE1 4.13Å; A327-Y524 HydrophobicContact CB-CE2 3.99Å; A327-Y524 HydrophobicContact CB-CG 3.83Å
328S90.6Very high84.6Confident91 Ų9141.6 Ų41.664%0.63626%0.259SS*.Hα-helixtrans-74.7-25.5172.154.20000113.8N324 H325 V326N324-S328 PolarHBondContact O-N 3.04Å; N324-S328 PolarHBondContact O-OG 3.49Å; H325-S328 WeakPolarHBondContact CA-OG 3.43Å; H325-S328 PolarHBondContact O-N 3.4Å; H325-S328 PolarHBondContact O-OG 3.33Å; V326-S328 VanDerWaalsContact C-N 3.33Å; V326-S328 PolarHBondContact O-N 3.22Å
329D87.2Confident83.9Confident63 Ų6342.7 Ų42.734%0.33726%0.264SS..Hα-helixtrans-82.1-11.4179.7-83.28.4000113.7H325 V326 S331 R555H325-D329 IonicContact CE1-OD1 3.35Å; H325-D329 PolarHBondContact CE1-OD1 3.39Å; H325-D329 IonicContact CE1-OD2 2.95Å; H325-D329 PolarHBondContact CE1-OD2 2.73Å; H325-D329 IonicContact ND1-OD1 2.82Å; H325-D329 IonicContact ND1-OD2 2.55Å; H325-D329 PolarHBondContact ND1-OD2 2.82Å; H325-D329 WeakPolarHBondContact O-CB 3.4Å; H325-D329 PolarHBondContact O-N 3.39Å; H325-D329 VanDerWaalsContact O-N 3.12Å; V326-D329 PolarHBondContact O-N 2.04Å; V326-D329 VanDerWaalsContact O-N 3.11Å; D329-S331 PolarHBondContact O-N 2.83Å; D329-R555 IonicContact OD1-NH2 2.7Å; D329-R555 PolarHBondContact OD1-NH2 3.44Å; D329-R555 IonicContact OD2-CZ 2.73Å; D329-R555 IonicContact OD2-NE 3.78Å; D329-R555 PolarHBondContact OD2-NE 3.2Å; D329-R555 IonicContact OD2-NH2 3.92Å; D329-R555 PolarHBondContact OD2-NH2 3.41Å
330V83.9Confident83.3Confident35 Ų3546.9 Ų46.921%0.21228%0.28CS..  trans-72.9108.8-179.3178.40000110.7V326 I520 L521V326-V330 WeakPolarHBondContact O-CG2 3.05Å; V326-V330 PolarHBondContact O-N 3.35Å; V330-I520 HydrophobicContact CG2-CB 4.15Å; V330-I520 HydrophobicContact CG2-CD1 4.16Å; V330-I520 HydrophobicContact CG2-CG2 4.26Å; V330-L521 HydrophobicContact CB-CD1 4.47Å; V330-L521 HydrophobicContact CB-CD2 4.2Å; V330-L521 HydrophobicContact CB-CG 4.3Å; V330-L521 HydrophobicContact CG1-CD1 4.24Å; V330-L521 HydrophobicContact CG1-CG 4.21Å; V330-L521 HydrophobicContact CG2-CD2 4.16Å; V330-L521 HydrophobicContact CG2-CG 4.43Å
331S77.3Confident82.9Confident44 Ų4442.8 Ų42.831%0.30827%0.265SS..  trans-68.7160.8165.865.60000111.5D329 T333 G334 E423D329-S331 PolarHBondContact O-N 2.83Å; S331-T333 VanDerWaalsContact C-N 3.29Å; S331-T333 PolarHBondContact OG-OG1 2.85Å; S331-T333 VanDerWaalsContact OG-OG1 3.1Å; S331-G334 PolarHBondContact O-N 3.38Å; S331-G334 VanDerWaalsContact O-N 3.07Å; S331-G334 WeakPolarHBondContact OG-CA 3.4Å; S331-G334 PolarHBondContact OG-N 2.91Å; S331-G334 PolarHBondContact OG-O 3.44Å; S331-E423 WeakPolarHBondContact CB-OE1 3.34Å
332L67.3Low82.6Confident51 Ų5142.8 Ų42.827%0.26726%0.258SS..SBendtrans-62.2-39.6170.8-163.876000110.1G334 K419 E423 M456L332-G334 PolarHBondContact O-N 2.99Å; L332-K419 HydrophobicContact CD2-CG 4.12Å; L332-K419 WeakPolarHBondContact O-CE 3.24Å; L332-K419 PolarHBondContact O-NZ 3.5Å; L332-E423 VanDerWaalsContact CA-OE1 3.24Å; L332-E423 WeakPolarHBondContact CA-OE1 3.44Å; L332-E423 HydrophobicContact CB-CG 4.19Å; L332-E423 WeakPolarHBondContact CB-OE1 3.37Å; L332-E423 PolarHBondContact N-OE1 3.41Å; L332-M456 HydrophobicContact CD1-CE 4.12Å
333T61.5Low82.3Confident13 Ų1342.8 Ų42.88%0.0826%0.258CS..SBendtrans-63.9-21.4171.440.30000114S331 L385 H386 K419 E423S331-T333 VanDerWaalsContact C-N 3.29Å; S331-T333 PolarHBondContact OG-OG1 2.85Å; S331-T333 VanDerWaalsContact OG-OG1 3.1Å; T333-L385 HydrophobicContact CG2-CD1 3.97Å; T333-L385 HydrophobicContact CG2-CD2 4.2Å; T333-L385 HydrophobicContact CG2-CG 4.27Å; T333-H386 PolarHBondContact O-CE1 2.95Å; T333-H386 PolarHBondContact O-ND1 3.23Å; T333-K419 HydrophobicContact CG2-CD 4.2Å; T333-K419 HydrophobicContact CG2-CG 4.2Å; T333-E423 WeakPolarHBondContact CB-OE2 3.49Å; T333-E423 WeakPolarHBondContact CG2-OE2 3.49Å; T333-E423 PolarHBondContact N-OE1 3.09Å; T333-E423 VanDerWaalsContact N-OE1 3.08Å; T333-E423 PolarHBondContact N-OE2 3.49Å; T333-E423 PolarHBondContact OG1-OE2 3.34Å
334G66.5Low82Confident22 Ų2243.1 Ų43.123%0.22726%0.26CS..  trans76.1153.6-168.800000112S331 L332S331-G334 PolarHBondContact O-N 3.38Å; S331-G334 VanDerWaalsContact O-N 3.07Å; S331-G334 WeakPolarHBondContact OG-CA 3.4Å; S331-G334 PolarHBondContact OG-N 2.91Å; S331-G334 PolarHBondContact OG-O 3.44Å; L332-G334 PolarHBondContact O-N 2.99Å
335G65.9Low81.5Confident54 Ų5441.8 Ų41.856%0.55725%0.253SS*.  trans-81.4-173.917600000113.5A337G335-A337 PolarHBondContact O-N 3.24Å
336S68.4Low81Confident54 Ų5439 Ų3938%0.37824%0.24SC..  trans-49.2125.8176.7-171.10000112.2V338 H386S336-V338 VanDerWaalsContact C-N 3.32Å; S336-V338 PolarHBondContact O-N 3.12Å; S336-H386 WeakPolarHBondContact CA-O 3.49Å
337A72Confident80.5Confident55 Ų5542.8 Ų42.846%0.45526%0.263SS..BIsolated β-bridgetrans-78.382.6-179.300000110.6G335 Q339 G387G335-A337 PolarHBondContact O-N 3.24Å; A337-Q339 PolarHBondContact O-N 3.17Å; A337-G387 WeakPolarHBondContact CB-O 3.38Å; A337-G387 PolarHBondContact N-O 3.39Å
338V79.5Confident80Confident28 Ų2846.5 Ų46.517%0.1728%0.277CS..  trans-69.8126.9178.1175.50000111.2S336 S557 E558 L560 M561S336-V338 VanDerWaalsContact C-N 3.32Å; S336-V338 PolarHBondContact O-N 3.12Å; V338-S557 VanDerWaalsContact CG1-O 3.25Å; V338-S557 WeakPolarHBondContact CG1-O 3.32Å; V338-S557 WeakPolarHBondContact CG2-OG 3.3Å; V338-E558 HydrophobicContact CG2-CB 4.43Å; V338-E558 HydrophobicContact CG2-CG 3.88Å; V338-L560 HydrophobicContact CG1-CB 4.28Å; V338-L560 HydrophobicContact CG1-CD1 4.11Å; V338-M561 HydrophobicContact CG1-CG 4.41Å
339Q80.8Confident79.2Confident54 Ų5446.2 Ų46.225%0.25227%0.268SS..  trans-94.9142.3176.4-162.5161.510.600111.2A337 I341 G355 M561A337-Q339 PolarHBondContact O-N 3.17Å; Q339-I341 HydrophobicContact CB-CG1 4.35Å; Q339-I341 HydrophobicContact CG-CG1 3.94Å; Q339-G355 PolarHBondContact NE2-O 3.4Å; Q339-G355 VanDerWaalsContact OE1-C 3.24Å; Q339-G355 PolarHBondContact OE1-O 3.43Å; Q339-M561 HydrophobicContact CB-SD 3.95Å
340R87Confident78Confident89 Ų8947.5 Ų47.534%0.33628%0.28SS..  trans-102.693.4176.7-59.6179.2-179.271.30.6107.9E552 L560 V589R340-E552 IonicContact NE-OE2 3.45Å; R340-E552 IonicContact NH2-OE2 2.82Å; R340-L560 HydrophobicContact CG-CD1 4.16Å; R340-V589 HydrophobicContact CB-CB 4.36Å; R340-V589 HydrophobicContact CB-CG1 4.29Å; R340-V589 HydrophobicContact CB-CG2 4Å
341I87.1Confident76.7Confident14 Ų1449.4 Ų49.47%0.07231%0.307CS..  trans-95.5126.5-178-56.2168.6000109.1Q339 M356 M561 Y564 V589 N593Q339-I341 HydrophobicContact CB-CG1 4.35Å; Q339-I341 HydrophobicContact CG-CG1 3.94Å; I341-M356 HydrophobicContact CD1-CG 4.23Å; I341-M561 HydrophobicContact CD1-CE 4.26Å; I341-Y564 HydrophobicContact CB-CD2 4.22Å; I341-Y564 HydrophobicContact CB-CE2 4.35Å; I341-Y564 HydrophobicContact CD1-CD1 4.49Å; I341-Y564 HydrophobicContact CD1-CD2 3.98Å; I341-Y564 HydrophobicContact CD1-CE1 4.43Å; I341-Y564 HydrophobicContact CD1-CE2 3.89Å; I341-Y564 HydrophobicContact CD1-CG 4.26Å; I341-Y564 HydrophobicContact CG2-CD2 4.05Å; I341-Y564 HydrophobicContact CG2-CE2 3.76Å; I341-V589 WeakPolarHBondContact O-CG1 3.15Å; I341-N593 PolarHBondContact O-ND2 3.25Å
342R91.1Very high75.6Confident66 Ų6652.4 Ų52.425%0.24933%0.328CS..  trans-90.9127.6168.9-65.9-166.1-16480.79.1109.2L344 D345 E346 E588 V589 N593 Y627R342-L344 VanDerWaalsContact C-N 3.35Å; R342-L344 PolarHBondContact O-N 3.18Å; R342-D345 HydrophobicContact CB-CB 4.09Å; R342-D345 WeakPolarHBondContact CB-OD2 3.29Å; R342-D345 WeakPolarHBondContact CD-OD2 3.13Å; R342-D345 IonicContact NH1-OD2 2.74Å; R342-D345 PolarHBondContact NH1-OD2 3Å; R342-D345 VanDerWaalsContact NH1-OD2 3.16Å; R342-E346 PolarHBondContact O-N 3.39Å; R342-E588 IonicContact CZ-OE1 3.37Å; R342-E588 IonicContact CZ-OE2 2.72Å; R342-E588 IonicContact NE-OE1 2.63Å; R342-E588 PolarHBondContact NE-OE1 3.24Å; R342-E588 IonicContact NE-OE2 3.16Å; R342-E588 IonicContact NH2-OE1 2.65Å; R342-E588 PolarHBondContact NH2-OE1 3.26Å; R342-E588 IonicContact NH2-OE2 3.39Å; R342-E588 PolarHBondContact NH2-OE2 3.27Å; R342-V589 HydrophobicContact CG-CB 4.33Å; R342-V589 HydrophobicContact CG-CG1 3.96Å; R342-V589 HydrophobicContact CG-CG2 3.9Å; R342-N593 WeakPolarHBondContact CA-OD1 3.18Å; R342-Y627 VanDerWaalsContact CD-CE2 3.46Å; R342-Y627 WeakPolarHBondContact CD-OH 3.32Å
343L90.9Very high74.9Confident0 Ų053.6 Ų53.60%034%0.337CS..Hα-helixtrans-69-34-176.5-62.2177.7000112.4E346 V347 Y564 F567 Y579 N593 F596 I597L343-E346 PolarHBondContact O-N 3.42Å; L343-V347 WeakPolarHBondContact O-CG2 3.5Å; L343-V347 PolarHBondContact O-N 3.09Å; L343-V347 VanDerWaalsContact O-N 3.11Å; L343-Y564 HydrophobicContact CD2-CD2 3.88Å; L343-Y564 HydrophobicContact CD2-CE2 4.21Å; L343-F567 HydrophobicContact CD1-CD1 4.03Å; L343-F567 HydrophobicContact CD1-CD2 4Å; L343-F567 HydrophobicContact CD1-CE1 4.07Å; L343-F567 HydrophobicContact CD1-CE2 4.05Å; L343-F567 HydrophobicContact CD1-CG 3.99Å; L343-F567 HydrophobicContact CD1-CZ 4.09Å; L343-F567 HydrophobicContact CD2-CD1 3.61Å; L343-F567 HydrophobicContact CD2-CE1 3.79Å; L343-F567 HydrophobicContact CD2-CG 4.26Å; L343-F567 HydrophobicContact CG-CD1 4.41Å; L343-F567 HydrophobicContact CG-CE1 4.36Å; L343-Y579 HydrophobicContact CD1-CE2 3.99Å; L343-N593 HydrophobicContact CD1-CB 3.99Å; L343-N593 HydrophobicContact CG-CB 4.19Å; L343-N593 PolarHBondContact N-OD1 2.54Å; L343-F596 HydrophobicContact CB-CD1 3.58Å; L343-F596 HydrophobicContact CB-CE1 3.73Å; L343-F596 HydrophobicContact CB-CG 4.45Å; L343-F596 HydrophobicContact CD1-CD1 4.26Å; L343-I597 HydrophobicContact CD1-CD1 3.85Å; L343-I597 HydrophobicContact CD1-CG1 3.97Å
344L89.4Confident74.6Confident8 Ų855 Ų554%0.04235%0.347CS..Hα-helixtrans-64.5-52.2176.6-178.162.3000111.3R342 E346 V347 E348 F596 W619 V629R342-L344 VanDerWaalsContact C-N 3.35Å; R342-L344 PolarHBondContact O-N 3.18Å; L344-E346 PolarHBondContact O-N 3.38Å; L344-V347 PolarHBondContact O-N 3.28Å; L344-V347 VanDerWaalsContact O-N 3.15Å; L344-E348 HydrophobicContact CD1-CG 4.21Å; L344-E348 WeakPolarHBondContact CD1-OE1 3.38Å; L344-E348 PolarHBondContact O-N 3.49Å; L344-F596 HydrophobicContact CB-CD2 3.92Å; L344-F596 HydrophobicContact CB-CE2 4.17Å; L344-F596 HydrophobicContact CB-CG 4.43Å; L344-F596 HydrophobicContact CD1-CD2 3.76Å; L344-F596 HydrophobicContact CD1-CE2 3.56Å; L344-F596 HydrophobicContact CG-CD2 4.38Å; L344-F596 HydrophobicContact CG-CE2 4.48Å; L344-W619 HydrophobicContact CD2-CH2 4.05Å; L344-V629 HydrophobicContact CD2-CB 4.37Å; L344-V629 HydrophobicContact CD2-CG1 3.51Å
345D85.7Confident74Confident42 Ų4254.4 Ų54.423%0.22534%0.342CS..Hα-helixtrans-55.6-35.8178.9-56.2-1000111.4R342 N349 Y627R342-D345 HydrophobicContact CB-CB 4.09Å; R342-D345 WeakPolarHBondContact CB-OD2 3.29Å; R342-D345 WeakPolarHBondContact CD-OD2 3.13Å; R342-D345 IonicContact NH1-OD2 2.74Å; R342-D345 PolarHBondContact NH1-OD2 3Å; R342-D345 VanDerWaalsContact NH1-OD2 3.16Å; D345-N349 WeakPolarHBondContact O-CB 3.48Å; D345-N349 PolarHBondContact O-N 3.38Å; D345-Y627 PolarHBondContact OD1-OH 3.47Å
346E83.4Confident73.9Confident15 Ų1554.7 Ų54.77%0.0733%0.329CS..Hα-helixtrans-73.2-42.1178.2-164.3-161.1174.200113.2R342 L343 L344 E348 N349 P350 Y564 K568R342-E346 PolarHBondContact O-N 3.39Å; L343-E346 PolarHBondContact O-N 3.42Å; L344-E346 PolarHBondContact O-N 3.38Å; E346-E348 VanDerWaalsContact C-N 3.34Å; E346-N349 CarbonylContact O-C 3.23Å; E346-N349 VanDerWaalsContact O-C 3.32Å; E346-N349 PolarHBondContact O-N 3.46Å; E346-P350 VanDerWaalsContact O-CA 3.29Å; E346-P350 WeakPolarHBondContact O-CA 3.45Å; E346-P350 VanDerWaalsContact O-N 3.14Å; E346-Y564 PolarHBondContact OE1-OH 3.05Å; E346-Y564 VanDerWaalsContact OE1-OH 3.1Å; E346-Y564 WeakPolarHBondContact OE2-CE2 3.43Å; E346-K568 VanDerWaalsContact CD-NZ 3.31Å; E346-K568 VanDerWaalsContact OE1-CE 3.23Å; E346-K568 WeakPolarHBondContact OE1-CE 3.38Å; E346-K568 IonicContact OE1-NZ 2.73Å; E346-K568 PolarHBondContact OE1-NZ 3.29Å; E346-K568 IonicContact OE2-NZ 3.96Å; E346-K568 PolarHBondContact OE2-NZ 2.88Å
347V83.6Confident73.7Confident83 Ų8353.8 Ų53.850%0.50332%0.32SS..Hα-helixtrans-70.3-32.8179.4169.80000111.5L343 L344 F596L343-V347 WeakPolarHBondContact O-CG2 3.5Å; L343-V347 PolarHBondContact O-N 3.09Å; L343-V347 VanDerWaalsContact O-N 3.11Å; L344-V347 PolarHBondContact O-N 3.28Å; L344-V347 VanDerWaalsContact O-N 3.15Å; V347-F596 HydrophobicContact CB-CZ 4.23Å; V347-F596 HydrophobicContact CG1-CZ 4.5Å; V347-F596 HydrophobicContact CG2-CE1 4.43Å; V347-F596 HydrophobicContact CG2-CZ 3.98Å
348E80.7Confident73.5Confident96 Ų9656.9 Ų56.945%0.44933%0.325SS..Hα-helixtrans-76.2-34.4173.6-67.8179.1172.100112.3L344 E346L344-E348 HydrophobicContact CD1-CG 4.21Å; L344-E348 WeakPolarHBondContact CD1-OE1 3.38Å; L344-E348 PolarHBondContact O-N 3.49Å; E346-E348 VanDerWaalsContact C-N 3.34Å
349N74.6Confident73.2Confident84 Ų8462.2 Ų62.245%0.44935%0.348SS..  trans-132.269.8-176.6-69.8-74.4000113.6D345 E346 G351 T353D345-N349 WeakPolarHBondContact O-CB 3.48Å; D345-N349 PolarHBondContact O-N 3.38Å; E346-N349 CarbonylContact O-C 3.23Å; E346-N349 VanDerWaalsContact O-C 3.32Å; E346-N349 PolarHBondContact O-N 3.46Å; N349-G351 PolarHBondContact O-N 2.81Å; N349-G351 VanDerWaalsContact O-N 3.09Å; N349-T353 WeakPolarHBondContact CB-OG1 3.33Å; N349-T353 PolarHBondContact O-OG1 2.96Å
350P61.5Low73.1Confident91 Ų9165.2 Ų65.259%0.59137%0.366SS*.THydrogen-bonded Turntrans-63.8-19.6-171.421.7-33.1000115.7E346E346-P350 VanDerWaalsContact O-CA 3.29Å; E346-P350 WeakPolarHBondContact O-CA 3.45Å; E346-P350 VanDerWaalsContact O-N 3.14Å
351G56.7Low72.9Confident74 Ų7464 Ų6476%0.76337%0.366SS*.THydrogen-bonded Turntrans-110.6-14.9-176.600000117N349N349-G351 PolarHBondContact O-N 2.81Å; N349-G351 VanDerWaalsContact O-N 3.09Å
352S53.9Low72.8Confident107 Ų10764.4 Ų64.475%0.74837%0.368SS*.THydrogen-bonded Turntrans-101-29.1-175.1-168.50000112.8
353T52.3Low72.6Confident77 Ų7766 Ų6647%0.47238%0.378SS..SBendtrans-128.215-171.3430000113.6N349 G355N349-T353 WeakPolarHBondContact CB-OG1 3.33Å; N349-T353 PolarHBondContact O-OG1 2.96Å; T353-G355 PolarHBondContact O-N 2.96Å
354S54.9Low72.5Confident41 Ų4172.1 Ų72.129%0.28740%0.402SS..  trans-57.2116171-174.20000109.1
355G55.7Low72.5Confident11 Ų1176.5 Ų76.511%0.11342%0.419CS..  trans-71.8-40.8-170.900000112.3Q339 T353Q339-G355 PolarHBondContact NE2-O 3.4Å; Q339-G355 VanDerWaalsContact OE1-C 3.24Å; Q339-G355 PolarHBondContact OE1-O 3.43Å; T353-G355 PolarHBondContact O-N 2.96Å
356M62.8Low72.8Confident59 Ų5976.8 Ų76.829%0.29142%0.419SS..SBendtrans-76.2147.7179.7-70.9178.150.500110.6I341 E358 M561 Y564I341-M356 HydrophobicContact CD1-CG 4.23Å; M356-E358 PolarHBondContact O-N 2.99Å; M356-M561 HydrophobicContact CG-CE 4.2Å; M356-M561 HydrophobicContact SD-CE 4.07Å; M356-Y564 HydrophobicContact CG-CE1 4.45Å; M356-Y564 HydrophobicContact SD-CD1 3.81Å; M356-Y564 HydrophobicContact SD-CE1 3.28Å; M356-Y564 WeakPolarHBondContact SD-CE1 3.45Å
357L63.2Low73.3Confident35 Ų3581.1 Ų81.118%0.18344%0.438CS..PPolyproline II helixtrans-68.8128.6163.3-67.8164.1000106.4L361 I362 L383 R389L357-L361 HydrophobicContact CD2-CD2 3.52Å; L357-L361 HydrophobicContact CD2-CG 4.13Å; L357-I362 HydrophobicContact CB-CD1 3.97Å; L357-I362 HydrophobicContact CB-CG1 3.79Å; L357-I362 HydrophobicContact CD1-CG1 4.14Å; L357-L383 HydrophobicContact CD1-CD1 4.35Å; L357-L383 HydrophobicContact CD1-CD2 3.72Å; L357-R389 HydrophobicContact CB-CB 4.37Å; L357-R389 HydrophobicContact CD1-CB 3.95Å; L357-R389 HydrophobicContact CG-CB 3.83Å; L357-R389 HydrophobicContact CG-CG 4.43Å; L357-R389 PolarHBondContact N-O 3Å
358E68.8Low73.8Confident120 Ų12079 Ų7956%0.56142%0.423SS*.PPolyproline II helixtrans-58.6145.4167.4-66.2175.4168.100109.1M356 D360 L361 I362M356-E358 PolarHBondContact O-N 2.99Å; E358-D360 PolarHBondContact O-N 3.42Å; E358-L361 WeakPolarHBondContact O-CB 3.25Å; E358-L361 PolarHBondContact O-N 3.21Å; E358-I362 PolarHBondContact O-N 3.1Å
359E73.3Confident74.4Confident140 Ų14074.5 Ų74.565%0.65440%0.402SS*.Hα-helixtrans-58.2-39.3-176.2-166.9175.1162.700111.1L361 I362 Q363E359-L361 VanDerWaalsContact C-N 3.28Å; E359-L361 PolarHBondContact O-N 3.42Å; E359-I362 WeakPolarHBondContact O-CB 3.4Å; E359-I362 PolarHBondContact O-N 3.48Å; E359-I362 VanDerWaalsContact O-N 3.07Å; E359-Q363 WeakPolarHBondContact O-CG 3.32Å; E359-Q363 PolarHBondContact O-N 2.87Å
360D78.5Confident75.1Confident117 Ų11777.7 Ų77.763%0.62642%0.415SS*.Hα-helixtrans-57.2-37.3175.2-60.2-4.6000112.6E358 Q363 Y364E358-D360 PolarHBondContact O-N 3.42Å; D360-Q363 PolarHBondContact O-N 3.39Å; D360-Y364 WeakPolarHBondContact O-CB 3.28Å; D360-Y364 PolarHBondContact O-N 2.99Å
361L82.8Confident76.6Confident65 Ų6580.4 Ų80.434%0.3442%0.417SS..Hα-helixtrans-72.8-34.5177.4-177.655.8000111.5L357 E358 E359 Y364 Y365L357-L361 HydrophobicContact CD2-CD2 3.52Å; L357-L361 HydrophobicContact CD2-CG 4.13Å; E358-L361 WeakPolarHBondContact O-CB 3.25Å; E358-L361 PolarHBondContact O-N 3.21Å; E359-L361 VanDerWaalsContact C-N 3.28Å; E359-L361 PolarHBondContact O-N 3.42Å; L361-Y364 HydrophobicContact CD1-CD1 4.27Å; L361-Y364 PolarHBondContact O-N 3.3Å; L361-Y365 HydrophobicContact CD1-CD2 4.04Å; L361-Y365 HydrophobicContact CD1-CE2 3.61Å; L361-Y365 HydrophobicContact CD2-CE2 4.46Å; L361-Y365 HydrophobicContact CG-CD2 4.13Å; L361-Y365 HydrophobicContact CG-CE2 3.83Å; L361-Y365 WeakPolarHBondContact O-CD2 3.39Å; L361-Y365 PolarHBondContact O-N 3.16Å
362I85Confident78.3Confident22 Ų2278.8 Ų78.811%0.11340%0.401CS..Hα-helixtrans-66.7-44.5172.7-62.9159.2000110.1L357 E358 E359 Y364 Y365 Q366 V391L357-I362 HydrophobicContact CB-CD1 3.97Å; L357-I362 HydrophobicContact CB-CG1 3.79Å; L357-I362 HydrophobicContact CD1-CG1 4.14Å; E358-I362 PolarHBondContact O-N 3.1Å; E359-I362 WeakPolarHBondContact O-CB 3.4Å; E359-I362 PolarHBondContact O-N 3.48Å; E359-I362 VanDerWaalsContact O-N 3.07Å; I362-Y364 VanDerWaalsContact C-N 3.33Å; I362-Y364 PolarHBondContact O-N 3.36Å; I362-Y365 PolarHBondContact O-N 2.81Å; I362-Q366 WeakPolarHBondContact O-CG 3.45Å; I362-Q366 PolarHBondContact O-N 2.89Å; I362-V391 HydrophobicContact CD1-CG2 3.51Å; I362-V391 HydrophobicContact CG1-CG2 4.09Å; I362-V391 HydrophobicContact CG2-CG2 4.36Å
363Q86.9Confident80.3Confident98 Ų9876.8 Ų76.846%0.45838%0.382SS..Hα-helixtrans-61.1-41.4175.4-67.7178.924.900111.6E359 D360 Q366 F367E359-Q363 WeakPolarHBondContact O-CG 3.32Å; E359-Q363 PolarHBondContact O-N 2.87Å; D360-Q363 PolarHBondContact O-N 3.39Å; Q363-Q366 WeakPolarHBondContact O-CB 3.12Å; Q363-Q366 PolarHBondContact O-N 3.17Å; Q363-F367 PolarHBondContact O-N 3.11Å
364Y89.1Confident82.2Confident129 Ų12975 Ų7551%0.50637%0.37SS..Hα-helixtrans-59.4-46.5174.4176.8-102.7000112.5D360 L361 I362 Q366 F367 L368D360-Y364 WeakPolarHBondContact O-CB 3.28Å; D360-Y364 PolarHBondContact O-N 2.99Å; L361-Y364 HydrophobicContact CD1-CD1 4.27Å; L361-Y364 PolarHBondContact O-N 3.3Å; I362-Y364 VanDerWaalsContact C-N 3.33Å; I362-Y364 PolarHBondContact O-N 3.36Å; Y364-Q366 VanDerWaalsContact C-N 3.34Å; Y364-Q366 PolarHBondContact O-N 3.26Å; Y364-F367 PolarHBondContact O-N 3.09Å; Y364-L368 HydrophobicContact CD1-CD1 4.08Å; Y364-L368 HydrophobicContact CE1-CD1 3.46Å; Y364-L368 VanDerWaalsContact CE1-CD1 3.46Å; Y364-L368 HydrophobicContact CE1-CG 4.15Å; Y364-L368 WeakPolarHBondContact O-CG 3.49Å; Y364-L368 PolarHBondContact O-N 2.98Å
365Y90Very high84.1Confident100 Ų10079 Ų7939%0.39238%0.384SS..Hα-helixtrans-64.8-35.5175-78.5-61000112.8L361 I362 L368 A369 A376L361-Y365 HydrophobicContact CD1-CD2 4.04Å; L361-Y365 HydrophobicContact CD1-CE2 3.61Å; L361-Y365 HydrophobicContact CD2-CE2 4.46Å; L361-Y365 HydrophobicContact CG-CD2 4.13Å; L361-Y365 HydrophobicContact CG-CE2 3.83Å; L361-Y365 WeakPolarHBondContact O-CD2 3.39Å; L361-Y365 PolarHBondContact O-N 3.16Å; I362-Y365 PolarHBondContact O-N 2.81Å; Y365-L368 HydrophobicContact CD1-CD1 4.28Å; Y365-L368 PolarHBondContact O-N 3.49Å; Y365-A369 WeakPolarHBondContact O-CB 3.41Å; Y365-A369 PolarHBondContact O-N 2.96Å; Y365-A376 HydrophobicContact CD1-CB 4.27Å
366Q91.4Very high85.8Confident48 Ų4878.6 Ų78.622%0.22438%0.381CS..Hα-helixtrans-62.7-46.3175.3-73.9170.71.300111I362 Q363 Y364 L368 A369 E370 L380I362-Q366 WeakPolarHBondContact O-CG 3.45Å; I362-Q366 PolarHBondContact O-N 2.89Å; Q363-Q366 WeakPolarHBondContact O-CB 3.12Å; Q363-Q366 PolarHBondContact O-N 3.17Å; Y364-Q366 VanDerWaalsContact C-N 3.34Å; Y364-Q366 PolarHBondContact O-N 3.26Å; Q366-L368 VanDerWaalsContact C-N 3.34Å; Q366-L368 PolarHBondContact O-N 3.24Å; Q366-A369 PolarHBondContact O-N 3.29Å; Q366-A369 VanDerWaalsContact O-N 3.15Å; Q366-E370 WeakPolarHBondContact O-CG 3.42Å; Q366-E370 PolarHBondContact O-N 3.28Å; Q366-L380 HydrophobicContact CB-CD1 4.35Å; Q366-L380 HydrophobicContact CG-CD1 3.8Å; Q366-L380 HydrophobicContact CG-CD2 4.43Å
367F92.9Very high87.4Confident106 Ų10676.3 Ų76.347%0.46537%0.369SS..Hα-helixtrans-60.4-38.2174.8175.5-111.6000113.3Q363 Y364 K371Q363-F367 PolarHBondContact O-N 3.11Å; Y364-F367 PolarHBondContact O-N 3.09Å; F367-K371 HydrophobicContact CD1-CD 4.39Å; F367-K371 HydrophobicContact CE1-CD 4.01Å; F367-K371 VanDerWaalsContact CE1-NZ 3.28Å; F367-K371 HydrophobicContact CE2-CD 4.41Å; F367-K371 HydrophobicContact CZ-CD 4.05Å; F367-K371 WeakPolarHBondContact O-CB 3.43Å; F367-K371 WeakPolarHBondContact O-CG 3.3Å; F367-K371 PolarHBondContact O-N 3.25Å; F367-K371 VanDerWaalsContact O-N 3.07Å
368L94.1Very high88.8Confident39 Ų3974.9 Ų74.920%0.20436%0.362CS..Hα-helixtrans-65-44172.6-71.7-178.4000112Y364 Y365 Q366 E370 K371 G372 D373 A376Y364-L368 HydrophobicContact CD1-CD1 4.08Å; Y364-L368 HydrophobicContact CE1-CD1 3.46Å; Y364-L368 VanDerWaalsContact CE1-CD1 3.46Å; Y364-L368 HydrophobicContact CE1-CG 4.15Å; Y364-L368 WeakPolarHBondContact O-CG 3.49Å; Y364-L368 PolarHBondContact O-N 2.98Å; Y365-L368 HydrophobicContact CD1-CD1 4.28Å; Y365-L368 PolarHBondContact O-N 3.49Å; Q366-L368 VanDerWaalsContact C-N 3.34Å; Q366-L368 PolarHBondContact O-N 3.24Å; L368-E370 PolarHBondContact O-N 3.32Å; L368-K371 WeakPolarHBondContact O-CB 3.34Å; L368-K371 PolarHBondContact O-N 3.43Å; L368-G372 PolarHBondContact O-N 3.36Å; L368-D373 HydrophobicContact CB-CB 4.21Å; L368-D373 WeakPolarHBondContact O-CB 3.46Å; L368-D373 PolarHBondContact O-N 3.01Å; L368-A376 HydrophobicContact CB-CB 3.7Å
369A93.6Very high89.9Confident1 Ų170.8 Ų70.81%0.00835%0.352CS..Hα-helixtrans-64.6-38.7178.600000112.5Y365 Q366 G372 A376 Q377 L380 Y401Y365-A369 WeakPolarHBondContact O-CB 3.41Å; Y365-A369 PolarHBondContact O-N 2.96Å; Q366-A369 PolarHBondContact O-N 3.29Å; Q366-A369 VanDerWaalsContact O-N 3.15Å; A369-G372 PolarHBondContact O-N 2.87Å; A369-A376 HydrophobicContact CB-CB 4.09Å; A369-Q377 HydrophobicContact CB-CG 3.7Å; A369-Q377 PolarHBondContact O-NE2 2.91Å; A369-L380 HydrophobicContact CB-CD1 3.83Å; A369-Y401 HydrophobicContact CB-CD1 4.35Å; A369-Y401 HydrophobicContact CB-CE1 4.04Å
370E90.9Very high90.7Very high152 Ų15264.3 Ų64.371%0.7132%0.322SS*.Hα-helixtrans-65.5-35.2173.3-74.3177.2-177.500112.7Q366 L368 G372Q366-E370 WeakPolarHBondContact O-CG 3.42Å; Q366-E370 PolarHBondContact O-N 3.28Å; L368-E370 PolarHBondContact O-N 3.32Å; E370-G372 PolarHBondContact O-N 2.92Å
371K92.8Very high91.4Very high147 Ų14758.8 Ų58.864%0.63929%0.292SS*.THydrogen-bonded Turntrans-69.9-4.6170.3-80.6-179.2166.2-179.90114.1F367 L368F367-K371 HydrophobicContact CD1-CD 4.39Å; F367-K371 HydrophobicContact CE1-CD 4.01Å; F367-K371 VanDerWaalsContact CE1-NZ 3.28Å; F367-K371 HydrophobicContact CE2-CD 4.41Å; F367-K371 HydrophobicContact CZ-CD 4.05Å; F367-K371 WeakPolarHBondContact O-CB 3.43Å; F367-K371 WeakPolarHBondContact O-CG 3.3Å; F367-K371 PolarHBondContact O-N 3.25Å; F367-K371 VanDerWaalsContact O-N 3.07Å; L368-K371 WeakPolarHBondContact O-CB 3.34Å; L368-K371 PolarHBondContact O-N 3.43Å
372G91.4Very high91.7Very high41 Ų4158.9 Ų58.942%0.42329%0.291SS..THydrogen-bonded Turntrans89.816.6179.500000114.7L368 A369 E370 V374L368-G372 PolarHBondContact O-N 3.36Å; A369-G372 PolarHBondContact O-N 2.87Å; E370-G372 PolarHBondContact O-N 2.92Å; G372-V374 PolarHBondContact O-N 3.17Å; G372-V374 VanDerWaalsContact O-N 3.07Å
373D95.4Very high91.8Very high64 Ų6458.9 Ų58.934%0.34229%0.291SS..  trans-67.9109.2167.8176.330.9000110.3L368 Q375 A376 Q377L368-D373 HydrophobicContact CB-CB 4.21Å; L368-D373 WeakPolarHBondContact O-CB 3.46Å; L368-D373 PolarHBondContact O-N 3.01Å; D373-Q375 PolarHBondContact O-N 3.35Å; D373-Q375 PolarHBondContact OD1-N 3.36Å; D373-A376 HydrophobicContact CB-CB 4.06Å; D373-A376 PolarHBondContact O-N 3.44Å; D373-A376 VanDerWaalsContact OD2-CB 3.22Å; D373-A376 WeakPolarHBondContact OD2-CB 3.37Å; D373-A376 PolarHBondContact OD2-N 3.3Å; D373-Q377 WeakPolarHBondContact O-CG 3.16Å; D373-Q377 PolarHBondContact O-N 3.22Å
374V93.9Very high91.9Very high39 Ų3954.6 Ų54.624%0.23627%0.271CS..Hα-helixtrans-63.7-29.4-179.3-175.50000111.7G372 V378 A405 A408 N410G372-V374 PolarHBondContact O-N 3.17Å; G372-V374 VanDerWaalsContact O-N 3.07Å; V374-V378 WeakPolarHBondContact O-CG2 3.34Å; V374-V378 PolarHBondContact O-N 3.36Å; V374-V378 VanDerWaalsContact O-N 3.09Å; V374-A405 HydrophobicContact CG1-CB 3.97Å; V374-A408 HydrophobicContact CG1-CB 4.42Å; V374-A408 HydrophobicContact CG2-CB 3.66Å; V374-N410 HydrophobicContact CG1-CB 3.55Å; V374-N410 WeakPolarHBondContact CG1-ND2 3.45Å
375Q92.9Very high91.9Very high125 Ų12548.5 Ų48.558%0.58425%0.247SC*.Hα-helixtrans-75-45.1177.1-70.9-65.9-5.500111.7D373 Q377 V378 G379D373-Q375 PolarHBondContact O-N 3.35Å; D373-Q375 PolarHBondContact OD1-N 3.36Å; Q375-Q377 VanDerWaalsContact C-N 3.31Å; Q375-Q377 PolarHBondContact O-N 3.48Å; Q375-V378 PolarHBondContact O-N 2.78Å; Q375-G379 PolarHBondContact O-N 3.08Å
376A93.3Very high91.6Very high4 Ų446 Ų463%0.03324%0.239CC..Hα-helixtrans-57.1-42.2170.300000112.2Y365 L368 A369 D373 V378 G379 L380Y365-A376 HydrophobicContact CD1-CB 4.27Å; L368-A376 HydrophobicContact CB-CB 3.7Å; A369-A376 HydrophobicContact CB-CB 4.09Å; D373-A376 HydrophobicContact CB-CB 4.06Å; D373-A376 PolarHBondContact O-N 3.44Å; D373-A376 VanDerWaalsContact OD2-CB 3.22Å; D373-A376 WeakPolarHBondContact OD2-CB 3.37Å; D373-A376 PolarHBondContact OD2-N 3.3Å; A376-V378 PolarHBondContact O-N 3.31Å; A376-G379 PolarHBondContact O-N 3.05Å; A376-L380 WeakPolarHBondContact O-CB 3.33Å; A376-L380 WeakPolarHBondContact O-CG 3.17Å; A376-L380 PolarHBondContact O-N 2.92Å
377Q94.6Very high91Very high10 Ų1043.9 Ų43.95%0.04723%0.23CC..Hα-helixtrans-58.3-47.8174.2-72170.52.400112.1A369 D373 Q375 G381 Y401 A405A369-Q377 HydrophobicContact CB-CG 3.7Å; A369-Q377 PolarHBondContact O-NE2 2.91Å; D373-Q377 WeakPolarHBondContact O-CG 3.16Å; D373-Q377 PolarHBondContact O-N 3.22Å; Q375-Q377 VanDerWaalsContact C-N 3.31Å; Q375-Q377 PolarHBondContact O-N 3.48Å; Q377-G381 PolarHBondContact O-N 3.43Å; Q377-Y401 HydrophobicContact CG-CD1 4.45Å; Q377-Y401 WeakPolarHBondContact O-CB 3.4Å; Q377-A405 HydrophobicContact CB-CB 3.97Å
378V93.5Very high90.2Very high5 Ų539.5 Ų39.53%0.0321%0.214CC..Hα-helixtrans-66-39.9177.4172.30000111.9V374 Q375 A376 G381 Q382 F402 A405 N410 H412 A413V374-V378 WeakPolarHBondContact O-CG2 3.34Å; V374-V378 PolarHBondContact O-N 3.36Å; V374-V378 VanDerWaalsContact O-N 3.09Å; Q375-V378 PolarHBondContact O-N 2.78Å; A376-V378 PolarHBondContact O-N 3.31Å; V378-G381 PolarHBondContact O-N 2.9Å; V378-Q382 WeakPolarHBondContact O-CG 3.44Å; V378-Q382 PolarHBondContact O-N 3.4Å; V378-F402 HydrophobicContact CG1-CE1 4.48Å; V378-A405 HydrophobicContact CG2-CB 3.77Å; V378-N410 HydrophobicContact CG2-CB 4.46Å; V378-H412 HydrophobicContact CG1-CB 4.34Å; V378-A413 HydrophobicContact CG2-CB 3.97Å
379G91.3Very high89.1Confident35 Ų3544.1 Ų44.136%0.36123%0.229SC..Hα-helixtrans-63.5-48.4178.200000112.8Q375 A376 Q382 L383Q375-G379 PolarHBondContact O-N 3.08Å; A376-G379 PolarHBondContact O-N 3.05Å; G379-Q382 PolarHBondContact O-N 2.88Å; G379-L383 WeakPolarHBondContact O-CB 3.3Å; G379-L383 PolarHBondContact O-N 2.71Å
380L90.9Very high87.9Confident4 Ų446.2 Ų46.22%0.02125%0.251CS..Hα-helixtrans-66.3-37.5174.4-71.1177000112.4Q366 A369 A376 Q382 L383 H384 Y401Q366-L380 HydrophobicContact CB-CD1 4.35Å; Q366-L380 HydrophobicContact CG-CD1 3.8Å; Q366-L380 HydrophobicContact CG-CD2 4.43Å; A369-L380 HydrophobicContact CB-CD1 3.83Å; A376-L380 WeakPolarHBondContact O-CB 3.33Å; A376-L380 WeakPolarHBondContact O-CG 3.17Å; A376-L380 PolarHBondContact O-N 2.92Å; L380-Q382 VanDerWaalsContact C-N 3.35Å; L380-Q382 PolarHBondContact O-N 3.03Å; L380-L383 HydrophobicContact CD2-CD2 4.34Å; L380-L383 PolarHBondContact O-N 3.03Å; L380-H384 WeakPolarHBondContact O-CB 3.47Å; L380-H384 PolarHBondContact O-CD2 3.49Å; L380-H384 PolarHBondContact O-N 3.19Å; L380-Y401 HydrophobicContact CB-CD2 3.94Å; L380-Y401 HydrophobicContact CB-CE2 3.97Å; L380-Y401 HydrophobicContact CB-CG 4.39Å; L380-Y401 HydrophobicContact CD1-CE1 4.24Å; L380-Y401 HydrophobicContact CD1-CE2 4.25Å
381G92.1Very high87.4Confident0 Ų039.8 Ų39.80%022%0.222CC..Hα-helixtrans-57.1-47.3172.800000111.7Q377 V378 L385 A398 F402Q377-G381 PolarHBondContact O-N 3.43Å; V378-G381 PolarHBondContact O-N 2.9Å; G381-L385 WeakPolarHBondContact O-CB 3.29Å; G381-L385 PolarHBondContact O-N 3.32Å; G381-A398 WeakPolarHBondContact O-CB 3.43Å; G381-F402 WeakPolarHBondContact O-CZ 3.12Å
382Q89.3Confident86.7Confident68 Ų6839.2 Ų39.232%0.31822%0.222SC..Hα-helixtrans-64.3-43.2174.5-72.2172.615.100112.1V378 G379 L380 H384 L385 H386 F402 F416V378-Q382 WeakPolarHBondContact O-CG 3.44Å; V378-Q382 PolarHBondContact O-N 3.4Å; G379-Q382 PolarHBondContact O-N 2.88Å; L380-Q382 VanDerWaalsContact C-N 3.35Å; L380-Q382 PolarHBondContact O-N 3.03Å; Q382-H384 PolarHBondContact O-N 3.03Å; Q382-L385 PolarHBondContact O-N 2.73Å; Q382-H386 PolarHBondContact O-CD2 2.95Å; Q382-H386 PolarHBondContact O-N 3.5Å; Q382-F402 HydrophobicContact CG-CE1 4.23Å; Q382-F402 HydrophobicContact CG-CZ 4.08Å; Q382-F402 VanDerWaalsContact N-CZ 3.33Å; Q382-F416 HydrophobicContact CG-CD2 4.48Å; Q382-F416 HydrophobicContact CG-CE1 4.34Å; Q382-F416 HydrophobicContact CG-CE2 4.02Å; Q382-F416 HydrophobicContact CG-CZ 3.94Å
383L88.3Confident86.4Confident22 Ų2241.7 Ų41.712%0.11522%0.222CC..Hα-helixtrans-61.8-43.1-179-171.161.6000111.7L357 G379 L380 G387 G388 V391L357-L383 HydrophobicContact CD1-CD1 4.35Å; L357-L383 HydrophobicContact CD1-CD2 3.72Å; G379-L383 WeakPolarHBondContact O-CB 3.3Å; G379-L383 PolarHBondContact O-N 2.71Å; L380-L383 HydrophobicContact CD2-CD2 4.34Å; L380-L383 PolarHBondContact O-N 3.03Å; L383-G387 VanDerWaalsContact O-CA 3.27Å; L383-G387 WeakPolarHBondContact O-CA 3.32Å; L383-G387 PolarHBondContact O-N 3.29Å; L383-G388 WeakPolarHBondContact CD1-O 3.44Å; L383-V391 HydrophobicContact CD1-CB 4.35Å; L383-V391 HydrophobicContact CD2-CB 4.14Å; L383-V391 HydrophobicContact CD2-CG1 4.48Å; L383-V391 HydrophobicContact CD2-CG2 3.66Å; L383-V391 HydrophobicContact CG-CB 3.88Å; L383-V391 HydrophobicContact CG-CG1 4.11Å; L383-V391 HydrophobicContact CG-CG2 3.99Å
384H89.1Confident86Confident8 Ų841.3 Ų41.34%0.03722%0.22CC..Hα-helixtrans-75.3-28.1173.4-76.2-54.4000113.8L380 Q382 V391 Q393 N394 R397 A398 Y401L380-H384 WeakPolarHBondContact O-CB 3.47Å; L380-H384 PolarHBondContact O-CD2 3.49Å; L380-H384 PolarHBondContact O-N 3.19Å; Q382-H384 PolarHBondContact O-N 3.03Å; H384-V391 WeakPolarHBondContact CE1-CG1 3.18Å; H384-V391 VanDerWaalsContact ND1-CG1 3.31Å; H384-V391 WeakPolarHBondContact ND1-CG1 3.26Å; H384-Q393 CarbonylContact O-C 3.55Å; H384-Q393 WeakPolarHBondContact O-CA 3.49Å; H384-N394 PolarHBondContact O-N 3.36Å; H384-R397 HydrophobicContact CB-CB 4.46Å; H384-A398 HydrophobicContact CB-CB 4.05Å; H384-Y401 AromaticContact CD2-CE2 3.82Å
385L88.1Confident85.7Confident1 Ų141.9 Ų41.91%0.00522%0.22CC..Hα-helixtrans-69.2-44.8177.1178.363000112T333 G381 Q382 Q393 A398 F402 F416 M420T333-L385 HydrophobicContact CG2-CD1 3.97Å; T333-L385 HydrophobicContact CG2-CD2 4.2Å; T333-L385 HydrophobicContact CG2-CG 4.27Å; G381-L385 WeakPolarHBondContact O-CB 3.29Å; G381-L385 PolarHBondContact O-N 3.32Å; Q382-L385 PolarHBondContact O-N 2.73Å; L385-Q393 PolarHBondContact O-NE2 3.39Å; L385-A398 HydrophobicContact CB-CB 4.04Å; L385-F402 HydrophobicContact CB-CE2 4.15Å; L385-F402 HydrophobicContact CB-CZ 4.48Å; L385-F402 HydrophobicContact CD2-CE2 3.94Å; L385-F402 HydrophobicContact CD2-CZ 4.2Å; L385-F416 HydrophobicContact CD2-CD1 3.94Å; L385-M420 HydrophobicContact CD1-CE 4.46Å; L385-M420 HydrophobicContact CD1-CG 3.89Å; L385-M420 HydrophobicContact CD1-SD 4.13Å
386H83.6Confident85.6Confident48 Ų4840.7 Ų40.722%0.22222%0.215CC..Hα-helixtrans-89.2-34.9-178.4-59.6-61.8000112.3T333 S336 Q382T333-H386 PolarHBondContact O-CE1 2.95Å; T333-H386 PolarHBondContact O-ND1 3.23Å; S336-H386 WeakPolarHBondContact CA-O 3.49Å; Q382-H386 PolarHBondContact O-CD2 2.95Å; Q382-H386 PolarHBondContact O-N 3.5Å
387G79.6Confident85.5Confident3 Ų346.5 Ų46.53%0.03124%0.236CC..  trans71.4142.9-163.100000111.3A337 L383 V391A337-G387 WeakPolarHBondContact CB-O 3.38Å; A337-G387 PolarHBondContact N-O 3.39Å; L383-G387 VanDerWaalsContact O-CA 3.27Å; L383-G387 WeakPolarHBondContact O-CA 3.32Å; L383-G387 PolarHBondContact O-N 3.29Å; G387-V391 WeakPolarHBondContact CA-O 3.49Å
388G74.9Confident85.4Confident13 Ų1346 Ų4613%0.13423%0.234CC..BIsolated β-bridgetrans151.7169.6-179.300000113.9L383 G390 V391L383-G388 WeakPolarHBondContact CD1-O 3.44Å; G388-G390 PolarHBondContact O-N 3.44Å; G388-V391 PolarHBondContact N-O 2.84Å; G388-V391 PolarHBondContact O-N 3.19Å
389R71.4Confident85.4Confident136 Ų13648 Ų4851%0.51324%0.241SC..THydrogen-bonded Turntrans5027.2-177.9-58.1-167.9178.792.5-8.1115.4L357L357-R389 HydrophobicContact CB-CB 4.37Å; L357-R389 HydrophobicContact CD1-CB 3.95Å; L357-R389 HydrophobicContact CG-CB 3.83Å; L357-R389 HydrophobicContact CG-CG 4.43Å; L357-R389 PolarHBondContact N-O 3Å
390G69.1Low85.6Confident46 Ų4649.7 Ų49.747%0.47424%0.241SC..THydrogen-bonded Turntrans101.3-11.1-176.800000115.5G388G388-G390 PolarHBondContact O-N 3.44Å
391V80Confident85.8Confident17 Ų1750.9 Ų50.910%0.10325%0.246CC..BIsolated β-bridgetrans-94.2126.2179.1177.20000111.1I362 L383 H384 G387 G388I362-V391 HydrophobicContact CD1-CG2 3.51Å; I362-V391 HydrophobicContact CG1-CG2 4.09Å; I362-V391 HydrophobicContact CG2-CG2 4.36Å; L383-V391 HydrophobicContact CD1-CB 4.35Å; L383-V391 HydrophobicContact CD2-CB 4.14Å; L383-V391 HydrophobicContact CD2-CG1 4.48Å; L383-V391 HydrophobicContact CD2-CG2 3.66Å; L383-V391 HydrophobicContact CG-CB 3.88Å; L383-V391 HydrophobicContact CG-CG1 4.11Å; L383-V391 HydrophobicContact CG-CG2 3.99Å; H384-V391 WeakPolarHBondContact CE1-CG1 3.18Å; H384-V391 VanDerWaalsContact ND1-CG1 3.31Å; H384-V391 WeakPolarHBondContact ND1-CG1 3.26Å; G387-V391 WeakPolarHBondContact CA-O 3.49Å; G388-V391 PolarHBondContact N-O 2.84Å; G388-V391 PolarHBondContact O-N 3.19Å
392E77.9Confident85.9Confident135 Ų13550.9 Ų50.963%0.63125%0.246SC*.PPolyproline II helixtrans-68.4146.7172.6-64.8-170152.600111.9N394E392-N394 PolarHBondContact O-N 3.14Å
393Q84.4Confident86.2Confident92 Ų9249.1 Ų49.143%0.4324%0.24SC..PPolyproline II helixtrans-65.3128.6176.3-172.8175.640.300110.5H384 L385 H395H384-Q393 CarbonylContact O-C 3.55Å; H384-Q393 WeakPolarHBondContact O-CA 3.49Å; L385-Q393 PolarHBondContact O-NE2 3.39Å; Q393-H395 PolarHBondContact NE2-CE1 3.24Å
394N87.9Confident86.5Confident56 Ų5652.2 Ų52.230%0.29925%0.254SS..  trans-146.598.3178.9-172.5-41.6000110.5H384 E392 Q396 R397 A398H384-N394 PolarHBondContact O-N 3.36Å; E392-N394 PolarHBondContact O-N 3.14Å; N394-Q396 VanDerWaalsContact C-N 3.27Å; N394-Q396 PolarHBondContact O-N 3.34Å; N394-Q396 WeakPolarHBondContact OD1-CB 3.4Å; N394-Q396 PolarHBondContact OD1-N 2.9Å; N394-Q396 VanDerWaalsContact OD1-N 3.11Å; N394-R397 HydrophobicContact CB-CB 4.36Å; N394-R397 PolarHBondContact O-N 3.47Å; N394-R397 PolarHBondContact OD1-N 3.25Å; N394-A398 WeakPolarHBondContact O-CB 3.44Å; N394-A398 PolarHBondContact O-N 3.13Å
395H88.2Confident86.8Confident52 Ų5251.9 Ų51.924%0.24125%0.252CS..Hα-helixtrans-64-28.4-178.3-61.9-63.5000113.8Q393 Y399 M420Q393-H395 PolarHBondContact NE2-CE1 3.24Å; H395-Y399 WeakPolarHBondContact O-CB 3.42Å; H395-Y399 PolarHBondContact O-N 3.31Å; H395-M420 HydrophobicContact CB-CE 4.45Å; H395-M420 WeakPolarHBondContact O-CE 3.5Å
396Q90.9Very high87.1Confident99 Ų9952.2 Ų52.246%0.46326%0.255SS..Hα-helixtrans-68.8-53.1177.9-176.9178.48.500110.8N394 A398 Y399 D400 F427N394-Q396 VanDerWaalsContact C-N 3.27Å; N394-Q396 PolarHBondContact O-N 3.34Å; N394-Q396 WeakPolarHBondContact OD1-CB 3.4Å; N394-Q396 PolarHBondContact OD1-N 2.9Å; N394-Q396 VanDerWaalsContact OD1-N 3.11Å; Q396-A398 VanDerWaalsContact C-N 3.28Å; Q396-A398 PolarHBondContact O-N 3.48Å; Q396-Y399 WeakPolarHBondContact O-CB 3.03Å; Q396-Y399 PolarHBondContact O-N 3.34Å; Q396-Y399 VanDerWaalsContact O-N 3.09Å; Q396-D400 PolarHBondContact O-N 2.67Å; Q396-F427 HydrophobicContact CB-CD1 4.2Å; Q396-F427 HydrophobicContact CB-CD2 4.27Å; Q396-F427 HydrophobicContact CB-CE1 4.36Å; Q396-F427 HydrophobicContact CB-CE2 4.43Å; Q396-F427 HydrophobicContact CB-CG 4.16Å; Q396-F427 HydrophobicContact CB-CZ 4.48Å; Q396-F427 HydrophobicContact CG-CD1 4.41Å; Q396-F427 HydrophobicContact CG-CD2 4.21Å; Q396-F427 HydrophobicContact CG-CE1 4.1Å; Q396-F427 HydrophobicContact CG-CE2 3.88Å; Q396-F427 HydrophobicContact CG-CG 4.47Å; Q396-F427 HydrophobicContact CG-CZ 3.83Å
397R90.4Very high87.6Confident126 Ų12656.3 Ų56.348%0.47528%0.279SS..Hα-helixtrans-60.5-38.6176.4-71.4-174.8176.7-173-0.9112.1H384 N394 D400 Y401H384-R397 HydrophobicContact CB-CB 4.46Å; N394-R397 HydrophobicContact CB-CB 4.36Å; N394-R397 PolarHBondContact O-N 3.47Å; N394-R397 PolarHBondContact OD1-N 3.25Å; R397-D400 PolarHBondContact O-N 3.05Å; R397-Y401 HydrophobicContact CB-CE2 4.45Å; R397-Y401 WeakPolarHBondContact O-CD2 3.31Å; R397-Y401 PolarHBondContact O-N 3.25Å; R397-Y401 VanDerWaalsContact O-N 3.09Å
398A92.7Very high88.2Confident0 Ų059.3 Ų59.30%030%0.303CS..Hα-helixtrans-59.6-46.6174.100000111.8G381 H384 L385 N394 Q396 D400 F402 M420G381-A398 WeakPolarHBondContact O-CB 3.43Å; H384-A398 HydrophobicContact CB-CB 4.05Å; L385-A398 HydrophobicContact CB-CB 4.04Å; N394-A398 WeakPolarHBondContact O-CB 3.44Å; N394-A398 PolarHBondContact O-N 3.13Å; Q396-A398 VanDerWaalsContact C-N 3.28Å; Q396-A398 PolarHBondContact O-N 3.48Å; A398-D400 PolarHBondContact O-N 3.1Å; A398-F402 HydrophobicContact CB-CD2 4.39Å; A398-F402 HydrophobicContact CB-CE2 4.17Å; A398-F402 WeakPolarHBondContact O-CB 3.38Å; A398-F402 WeakPolarHBondContact O-CD2 3.45Å; A398-F402 WeakPolarHBondContact O-CG 3.48Å; A398-F402 PolarHBondContact O-N 3.48Å; A398-M420 HydrophobicContact CB-CE 4.37Å
399Y94Very high89Confident48 Ų4860.5 Ų60.519%0.18832%0.316CS..Hα-helixtrans-59.1-44.8176.5177.8-94.8000112.3H395 Q396 F402 T403 L417 Y421 F427 L428H395-Y399 WeakPolarHBondContact O-CB 3.42Å; H395-Y399 PolarHBondContact O-N 3.31Å; Q396-Y399 WeakPolarHBondContact O-CB 3.03Å; Q396-Y399 PolarHBondContact O-N 3.34Å; Q396-Y399 VanDerWaalsContact O-N 3.09Å; Y399-F402 PolarHBondContact O-N 3.16Å; Y399-T403 VanDerWaalsContact O-CB 3.27Å; Y399-T403 WeakPolarHBondContact O-CB 3.27Å; Y399-T403 PolarHBondContact O-N 3.33Å; Y399-T403 PolarHBondContact O-OG1 2.63Å; Y399-L417 HydrophobicContact CD2-CD2 3.8Å; Y399-L417 HydrophobicContact CE2-CD2 3.95Å; Y399-Y421 HydrophobicContact CE2-CE2 4.15Å; Y399-Y421 PolarHBondContact OH-OH 3.26Å; Y399-F427 HydrophobicContact CD1-CE1 4.18Å; Y399-F427 HydrophobicContact CG-CE1 4.34Å; Y399-L428 HydrophobicContact CD2-CD1 4.31Å; Y399-L428 HydrophobicContact CD2-CD2 4.08Å; Y399-L428 HydrophobicContact CE2-CD1 4.09Å; Y399-L428 HydrophobicContact CE2-CD2 4.32Å
400D94.1Very high90.1Very high69 Ų6955 Ų5537%0.36930%0.296SS..Hα-helixtrans-63-49.2-178.8-64.7-32000111.5Q396 R397 A398 T403 Q404Q396-D400 PolarHBondContact O-N 2.67Å; R397-D400 PolarHBondContact O-N 3.05Å; A398-D400 PolarHBondContact O-N 3.1Å; D400-T403 PolarHBondContact O-N 3.07Å; D400-Q404 WeakPolarHBondContact O-CG 3.42Å; D400-Q404 PolarHBondContact O-N 2.76Å
401Y95.4Very high91.3Very high30 Ų3054.5 Ų54.512%0.11828%0.284CS..Hα-helixtrans-64.3-42.6177.6-71.4-54.5000112.6A369 Q377 L380 H384 R397 T403 Q404 A405A369-Y401 HydrophobicContact CB-CD1 4.35Å; A369-Y401 HydrophobicContact CB-CE1 4.04Å; Q377-Y401 HydrophobicContact CG-CD1 4.45Å; Q377-Y401 WeakPolarHBondContact O-CB 3.4Å; L380-Y401 HydrophobicContact CB-CD2 3.94Å; L380-Y401 HydrophobicContact CB-CE2 3.97Å; L380-Y401 HydrophobicContact CB-CG 4.39Å; L380-Y401 HydrophobicContact CD1-CE1 4.24Å; L380-Y401 HydrophobicContact CD1-CE2 4.25Å; H384-Y401 AromaticContact CD2-CE2 3.82Å; R397-Y401 HydrophobicContact CB-CE2 4.45Å; R397-Y401 WeakPolarHBondContact O-CD2 3.31Å; R397-Y401 PolarHBondContact O-N 3.25Å; R397-Y401 VanDerWaalsContact O-N 3.09Å; Y401-T403 VanDerWaalsContact C-N 3.31Å; Y401-T403 PolarHBondContact O-N 2.79Å; Y401-Q404 PolarHBondContact O-N 3.37Å; Y401-A405 WeakPolarHBondContact O-CB 3.37Å; Y401-A405 PolarHBondContact O-N 2.88Å
402F95.5Very high91.9Very high0 Ų057.2 Ų57.20%030%0.296CS..Hα-helixtrans-67.3-32.3176-67.8-47.8000112.5V378 G381 Q382 L385 A398 Y399 A406 A413 F416 L417 M420V378-F402 HydrophobicContact CG1-CE1 4.48Å; G381-F402 WeakPolarHBondContact O-CZ 3.12Å; Q382-F402 HydrophobicContact CG-CE1 4.23Å; Q382-F402 HydrophobicContact CG-CZ 4.08Å; Q382-F402 VanDerWaalsContact N-CZ 3.33Å; L385-F402 HydrophobicContact CB-CE2 4.15Å; L385-F402 HydrophobicContact CB-CZ 4.48Å; L385-F402 HydrophobicContact CD2-CE2 3.94Å; L385-F402 HydrophobicContact CD2-CZ 4.2Å; A398-F402 HydrophobicContact CB-CD2 4.39Å; A398-F402 HydrophobicContact CB-CE2 4.17Å; A398-F402 WeakPolarHBondContact O-CB 3.38Å; A398-F402 WeakPolarHBondContact O-CD2 3.45Å; A398-F402 WeakPolarHBondContact O-CG 3.48Å; A398-F402 PolarHBondContact O-N 3.48Å; Y399-F402 PolarHBondContact O-N 3.16Å; F402-A406 WeakPolarHBondContact O-CB 3.22Å; F402-A406 PolarHBondContact O-N 3.2Å; F402-A413 HydrophobicContact CD1-CB 4.34Å; F402-F416 HydrophobicContact CD1-CB 4.03Å; F402-F416 HydrophobicContact CD2-CB 4.04Å; F402-F416 HydrophobicContact CE1-CB 3.76Å; F402-F416 AromaticContact CE1-CD2 3.85Å; F402-F416 HydrophobicContact CE1-CD2 3.85Å; F402-F416 AromaticContact CE1-CG 3.89Å; F402-F416 HydrophobicContact CE1-CG 3.89Å; F402-F416 HydrophobicContact CE2-CB 3.79Å; F402-F416 HydrophobicContact CE2-CG 4.36Å; F402-F416 HydrophobicContact CG-CB 4.16Å; F402-F416 HydrophobicContact CZ-CB 3.62Å; F402-F416 HydrophobicContact CZ-CD1 4.24Å; F402-F416 HydrophobicContact CZ-CD2 4.13Å; F402-F416 AromaticContact CZ-CG 3.75Å; F402-F416 HydrophobicContact CZ-CG 3.75Å; F402-L417 HydrophobicContact CB-CD2 3.73Å; F402-L417 HydrophobicContact CB-CG 3.85Å; F402-M420 HydrophobicContact CD2-SD 3.7Å; F402-M420 HydrophobicContact CE2-SD 3.99Å
403T95.2Very high92.7Very high31 Ų3150.8 Ų50.819%0.1927%0.266CS..Hα-helixtrans-67.2-43.6175.6-610000111Y399 D400 Y401 A406 N407Y399-T403 VanDerWaalsContact O-CB 3.27Å; Y399-T403 WeakPolarHBondContact O-CB 3.27Å; Y399-T403 PolarHBondContact O-N 3.33Å; Y399-T403 PolarHBondContact O-OG1 2.63Å; D400-T403 PolarHBondContact O-N 3.07Å; Y401-T403 VanDerWaalsContact C-N 3.31Å; Y401-T403 PolarHBondContact O-N 2.79Å; T403-A406 PolarHBondContact O-N 3.13Å; T403-N407 WeakPolarHBondContact O-CB 3.14Å; T403-N407 PolarHBondContact O-N 2.91Å; T403-N407 PolarHBondContact O-ND2 2.79Å
404Q94.6Very high93.2Very high87 Ų8747.3 Ų47.341%0.40725%0.249SC..Hα-helixtrans-58.8-51.1173.7-68.1168.136.400111.3D400 Y401 A406 N407 A408D400-Q404 WeakPolarHBondContact O-CG 3.42Å; D400-Q404 PolarHBondContact O-N 2.76Å; Y401-Q404 PolarHBondContact O-N 3.37Å; Q404-A406 PolarHBondContact O-N 2.95Å; Q404-N407 PolarHBondContact O-N 3.49Å; Q404-A408 PolarHBondContact O-N 2.86Å; Q404-A408 VanDerWaalsContact O-N 3.08Å
405A95.5Very high93.4Very high0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-65.8-36.2-179.900000113.1V374 Q377 V378 Y401 A408 G409 N410 A413V374-A405 HydrophobicContact CG1-CB 3.97Å; Q377-A405 HydrophobicContact CB-CB 3.97Å; V378-A405 HydrophobicContact CG2-CB 3.77Å; Y401-A405 WeakPolarHBondContact O-CB 3.37Å; Y401-A405 PolarHBondContact O-N 2.88Å; A405-A408 CarbonylContact O-C 3.55Å; A405-A408 PolarHBondContact O-N 2.91Å; A405-G409 PolarHBondContact O-N 3Å; A405-N410 HydrophobicContact CB-CB 4.15Å; A405-N410 WeakPolarHBondContact O-CB 3.39Å; A405-N410 PolarHBondContact O-N 3.46Å; A405-A413 HydrophobicContact CB-CB 3.55Å
406A94.7Very high93.6Very high8 Ų842.6 Ų42.67%0.06623%0.226CC..Hα-helixtrans-68.7-36.8176.200000112.1F402 T403 Q404 A408 G409 A413 M414 L417F402-A406 WeakPolarHBondContact O-CB 3.22Å; F402-A406 PolarHBondContact O-N 3.2Å; T403-A406 PolarHBondContact O-N 3.13Å; Q404-A406 PolarHBondContact O-N 2.95Å; A406-A408 VanDerWaalsContact C-N 3.28Å; A406-A408 PolarHBondContact O-N 3.49Å; A406-G409 PolarHBondContact O-N 3.36Å; A406-A413 HydrophobicContact CB-CB 4.07Å; A406-M414 HydrophobicContact CB-CG 3.84Å; A406-M414 VanDerWaalsContact O-CE 3.27Å; A406-M414 WeakPolarHBondContact O-CE 3.3Å; A406-L417 HydrophobicContact CB-CD1 3.6Å
407N93.1Very high93.7Very high135 Ų13537.9 Ų37.972%0.72220%0.204SC*.Hα-helixtrans-65.8-31.9172.9-70.3-21.1000111.8T403 Q404 G409T403-N407 WeakPolarHBondContact O-CB 3.14Å; T403-N407 PolarHBondContact O-N 2.91Å; T403-N407 PolarHBondContact O-ND2 2.79Å; Q404-N407 PolarHBondContact O-N 3.49Å; N407-G409 PolarHBondContact O-N 3.03Å
408A92.4Very high93.8Very high65 Ų6531.9 Ų31.954%0.53718%0.181SC..THydrogen-bonded Turntrans-75.64.7169.700000114V374 Q404 A405 A406V374-A408 HydrophobicContact CG1-CB 4.42Å; V374-A408 HydrophobicContact CG2-CB 3.66Å; Q404-A408 PolarHBondContact O-N 2.86Å; Q404-A408 VanDerWaalsContact O-N 3.08Å; A405-A408 CarbonylContact O-C 3.55Å; A405-A408 PolarHBondContact O-N 2.91Å; A406-A408 VanDerWaalsContact C-N 3.28Å; A406-A408 PolarHBondContact O-N 3.49Å
409G91.3Very high93.7Very high39 Ų3932.6 Ų32.640%0.40218%0.184SC..THydrogen-bonded Turntrans87.39.9176.500000115.6A405 A406 N407 T411A405-G409 PolarHBondContact O-N 3Å; A406-G409 PolarHBondContact O-N 3.36Å; N407-G409 PolarHBondContact O-N 3.03Å; G409-T411 PolarHBondContact O-N 2.99Å
410N94.7Very high93.5Very high20 Ų2030.6 Ų30.611%0.10718%0.176CC..  trans-70.1121.1-178-169.3-71.4000112.8V374 V378 A405 H412 A413 M414V374-N410 HydrophobicContact CG1-CB 3.55Å; V374-N410 WeakPolarHBondContact CG1-ND2 3.45Å; V378-N410 HydrophobicContact CG2-CB 4.46Å; A405-N410 HydrophobicContact CB-CB 4.15Å; A405-N410 WeakPolarHBondContact O-CB 3.39Å; A405-N410 PolarHBondContact O-N 3.46Å; N410-H412 PolarHBondContact O-N 3.22Å; N410-H412 WeakPolarHBondContact OD1-CA 3.41Å; N410-H412 WeakPolarHBondContact OD1-CB 3.24Å; N410-H412 PolarHBondContact OD1-N 3.34Å; N410-A413 HydrophobicContact CB-CB 3.88Å; N410-A413 PolarHBondContact O-N 2.84Å; N410-A413 PolarHBondContact OD1-N 3.45Å; N410-M414 WeakPolarHBondContact O-CG 3.11Å; N410-M414 PolarHBondContact O-N 3.48Å; N410-M414 VanDerWaalsContact O-N 3.13Å
411T94Very high93.5Very high36 Ų3628.8 Ų28.822%0.22117%0.165CC..Hα-helixtrans-70.5-31.4-175.772.80000113.4G409 A415 M445 N447G409-T411 PolarHBondContact O-N 2.99Å; T411-A415 PolarHBondContact O-N 2.99Å; T411-A415 VanDerWaalsContact O-N 3.16Å; T411-M445 HydrophobicContact CG2-CB 3.62Å; T411-M445 HydrophobicContact CG2-CG 4.32Å; T411-M445 HydrophobicContact CG2-SD 3.8Å; T411-N447 PolarHBondContact OG1-ND2 2.7Å
412H92.4Very high93.2Very high74 Ų7427.8 Ų27.834%0.34316%0.162SC..Hα-helixtrans-71-45.2175.4-66.7-87.2000110.5V378 N410 M414 A415 F416 N447V378-H412 HydrophobicContact CG1-CB 4.34Å; N410-H412 PolarHBondContact O-N 3.22Å; N410-H412 WeakPolarHBondContact OD1-CA 3.41Å; N410-H412 WeakPolarHBondContact OD1-CB 3.24Å; N410-H412 PolarHBondContact OD1-N 3.34Å; H412-M414 VanDerWaalsContact C-N 3.32Å; H412-M414 PolarHBondContact O-N 3.33Å; H412-A415 CarbonylContact O-C 3.56Å; H412-A415 WeakPolarHBondContact O-CA 3.49Å; H412-A415 PolarHBondContact O-N 3.14Å; H412-F416 HydrophobicContact CB-CD2 4.33Å; H412-F416 HydrophobicContact CB-CE2 4.21Å; H412-F416 WeakPolarHBondContact O-CD2 3.23Å; H412-F416 PolarHBondContact O-N 3.41Å; H412-N447 PolarHBondContact CE1-ND2 3.48Å; H412-N447 PolarHBondContact N-ND2 2.82Å; H412-N447 PolarHBondContact ND1-ND2 3.48Å
413A94.3Very high92.7Very high0 Ų030.2 Ų30.20%017%0.173CC..Hα-helixtrans-56.2-46176.100000111.8V378 F402 A405 A406 N410 A415 F416 L417V378-A413 HydrophobicContact CG2-CB 3.97Å; F402-A413 HydrophobicContact CD1-CB 4.34Å; A405-A413 HydrophobicContact CB-CB 3.55Å; A406-A413 HydrophobicContact CB-CB 4.07Å; N410-A413 HydrophobicContact CB-CB 3.88Å; N410-A413 PolarHBondContact O-N 2.84Å; N410-A413 PolarHBondContact OD1-N 3.45Å; A413-A415 VanDerWaalsContact C-N 3.31Å; A413-A415 PolarHBondContact O-N 3.38Å; A413-F416 PolarHBondContact O-N 2.86Å; A413-L417 WeakPolarHBondContact O-CG 3.42Å; A413-L417 PolarHBondContact O-N 3.43Å
414M95.1Very high92.3Very high18 Ų1829.9 Ų29.99%0.08918%0.176CC..Hα-helixtrans-57.7-42.2173.3-67.8-179.8-16300112.4A406 N410 H412 L417 G418 Y438 K441 A442 M445A406-M414 HydrophobicContact CB-CG 3.84Å; A406-M414 VanDerWaalsContact O-CE 3.27Å; A406-M414 WeakPolarHBondContact O-CE 3.3Å; N410-M414 WeakPolarHBondContact O-CG 3.11Å; N410-M414 PolarHBondContact O-N 3.48Å; N410-M414 VanDerWaalsContact O-N 3.13Å; H412-M414 VanDerWaalsContact C-N 3.32Å; H412-M414 PolarHBondContact O-N 3.33Å; M414-L417 PolarHBondContact O-N 3.02Å; M414-G418 PolarHBondContact O-N 3.1Å; M414-Y438 HydrophobicContact CB-CD1 4.4Å; M414-Y438 WeakPolarHBondContact O-CB 3.24Å; M414-K441 HydrophobicContact SD-CB 4.03Å; M414-A442 HydrophobicContact CB-CB 4.12Å; M414-M445 HydrophobicContact CE-CE 4.41Å; M414-M445 HydrophobicContact CE-SD 4.41Å; M414-M445 HydrophobicContact SD-SD 4.22Å
415A93.1Very high91.7Very high0 Ų027.3 Ų27.30%017%0.167CC..Hα-helixtrans-69.4-36.5178.300000113.1T411 H412 A413 G418 K419 F439 A442 V449T411-A415 PolarHBondContact O-N 2.99Å; T411-A415 VanDerWaalsContact O-N 3.16Å; H412-A415 CarbonylContact O-C 3.56Å; H412-A415 WeakPolarHBondContact O-CA 3.49Å; H412-A415 PolarHBondContact O-N 3.14Å; A413-A415 VanDerWaalsContact C-N 3.31Å; A413-A415 PolarHBondContact O-N 3.38Å; A415-G418 PolarHBondContact O-N 3.04Å; A415-K419 WeakPolarHBondContact O-CB 3.45Å; A415-K419 PolarHBondContact O-N 3.32Å; A415-F439 WeakPolarHBondContact O-CE1 3.44Å; A415-A442 HydrophobicContact CB-CB 3.92Å; A415-V449 HydrophobicContact CB-CB 3.64Å; A415-V449 HydrophobicContact CB-CG1 3.81Å
416F92.8Very high90.9Very high10 Ų1037.2 Ų37.24%0.04421%0.214CC..Hα-helixtrans-68.9-38.3174-75-69000112.2Q382 L385 F402 H412 A413 K419 M420Q382-F416 HydrophobicContact CG-CD2 4.48Å; Q382-F416 HydrophobicContact CG-CE1 4.34Å; Q382-F416 HydrophobicContact CG-CE2 4.02Å; Q382-F416 HydrophobicContact CG-CZ 3.94Å; L385-F416 HydrophobicContact CD2-CD1 3.94Å; F402-F416 HydrophobicContact CD1-CB 4.03Å; F402-F416 HydrophobicContact CD2-CB 4.04Å; F402-F416 HydrophobicContact CE1-CB 3.76Å; F402-F416 AromaticContact CE1-CD2 3.85Å; F402-F416 HydrophobicContact CE1-CD2 3.85Å; F402-F416 AromaticContact CE1-CG 3.89Å; F402-F416 HydrophobicContact CE1-CG 3.89Å; F402-F416 HydrophobicContact CE2-CB 3.79Å; F402-F416 HydrophobicContact CE2-CG 4.36Å; F402-F416 HydrophobicContact CG-CB 4.16Å; F402-F416 HydrophobicContact CZ-CB 3.62Å; F402-F416 HydrophobicContact CZ-CD1 4.24Å; F402-F416 HydrophobicContact CZ-CD2 4.13Å; F402-F416 AromaticContact CZ-CG 3.75Å; F402-F416 HydrophobicContact CZ-CG 3.75Å; H412-F416 HydrophobicContact CB-CD2 4.33Å; H412-F416 HydrophobicContact CB-CE2 4.21Å; H412-F416 WeakPolarHBondContact O-CD2 3.23Å; H412-F416 PolarHBondContact O-N 3.41Å; A413-F416 PolarHBondContact O-N 2.86Å; F416-K419 HydrophobicContact CD1-CD 4.35Å; F416-K419 WeakPolarHBondContact O-CA 3.48Å; F416-K419 VanDerWaalsContact O-CB 3.28Å; F416-K419 WeakPolarHBondContact O-CB 3.41Å; F416-K419 PolarHBondContact O-N 3.13Å; F416-K419 VanDerWaalsContact O-N 3.16Å; F416-M420 WeakPolarHBondContact O-CG 3.48Å; F416-M420 PolarHBondContact O-N 3.33Å
417L93.3Very high90.4Very high0 Ų041.5 Ų41.50%023%0.231CC..Hα-helixtrans-58.9-48.1169.3-71.2174000111.1Y399 F402 A406 A413 M414 K419 M420 Y421 Y438Y399-L417 HydrophobicContact CD2-CD2 3.8Å; Y399-L417 HydrophobicContact CE2-CD2 3.95Å; F402-L417 HydrophobicContact CB-CD2 3.73Å; F402-L417 HydrophobicContact CB-CG 3.85Å; A406-L417 HydrophobicContact CB-CD1 3.6Å; A413-L417 WeakPolarHBondContact O-CG 3.42Å; A413-L417 PolarHBondContact O-N 3.43Å; M414-L417 PolarHBondContact O-N 3.02Å; L417-K419 PolarHBondContact O-N 2.88Å; L417-M420 PolarHBondContact O-N 2.88Å; L417-M420 VanDerWaalsContact O-N 3.13Å; L417-Y421 VanDerWaalsContact O-CD2 3.26Å; L417-Y421 WeakPolarHBondContact O-CD2 3.49Å; L417-Y421 PolarHBondContact O-N 2.67Å; L417-Y438 HydrophobicContact CB-CD1 4.27Å; L417-Y438 HydrophobicContact CB-CE1 4.45Å; L417-Y438 HydrophobicContact CB-CG 4.32Å; L417-Y438 HydrophobicContact CD1-CD1 4.35Å; L417-Y438 HydrophobicContact CD1-CE1 3.86Å
418G92.3Very high90.2Very high0 Ų035.8 Ų35.80%020%0.2CC..Hα-helixtrans-56.6-37.4174.900000112.8M414 A415 S422 A435 F439M414-G418 PolarHBondContact O-N 3.1Å; A415-G418 PolarHBondContact O-N 3.04Å; G418-S422 WeakPolarHBondContact O-CB 3.38Å; G418-S422 PolarHBondContact O-N 2.9Å; G418-A435 WeakPolarHBondContact O-CB 3.32Å; G418-F439 VanDerWaalsContact C-CE1 3.44Å; G418-F439 VanDerWaalsContact O-CZ 3.26Å; G418-F439 WeakPolarHBondContact O-CZ 3.23Å
419K89.6Confident90Very high14 Ų1437.5 Ų37.56%0.06121%0.206CC..Hα-helixtrans-64.2-47.9174.8-158.7178.2-171.6-179.80112L332 T333 A415 F416 L417 S422 E423 F439L332-K419 HydrophobicContact CD2-CG 4.12Å; L332-K419 WeakPolarHBondContact O-CE 3.24Å; L332-K419 PolarHBondContact O-NZ 3.5Å; T333-K419 HydrophobicContact CG2-CD 4.2Å; T333-K419 HydrophobicContact CG2-CG 4.2Å; A415-K419 WeakPolarHBondContact O-CB 3.45Å; A415-K419 PolarHBondContact O-N 3.32Å; F416-K419 HydrophobicContact CD1-CD 4.35Å; F416-K419 WeakPolarHBondContact O-CA 3.48Å; F416-K419 VanDerWaalsContact O-CB 3.28Å; F416-K419 WeakPolarHBondContact O-CB 3.41Å; F416-K419 PolarHBondContact O-N 3.13Å; F416-K419 VanDerWaalsContact O-N 3.16Å; L417-K419 PolarHBondContact O-N 2.88Å; K419-S422 PolarHBondContact O-N 3.18Å; K419-E423 PolarHBondContact O-N 3.21Å; K419-F439 HydrophobicContact CB-CE1 4.46Å
420M91.2Very high90Very high6 Ų640.7 Ų40.73%0.0321%0.211CC..Hα-helixtrans-62.1-44.8177.8-68.6176.570.500112L385 H395 A398 F402 F416 L417 S422 E423 G424 L428L385-M420 HydrophobicContact CD1-CE 4.46Å; L385-M420 HydrophobicContact CD1-CG 3.89Å; L385-M420 HydrophobicContact CD1-SD 4.13Å; H395-M420 HydrophobicContact CB-CE 4.45Å; H395-M420 WeakPolarHBondContact O-CE 3.5Å; A398-M420 HydrophobicContact CB-CE 4.37Å; F402-M420 HydrophobicContact CD2-SD 3.7Å; F402-M420 HydrophobicContact CE2-SD 3.99Å; F416-M420 WeakPolarHBondContact O-CG 3.48Å; F416-M420 PolarHBondContact O-N 3.33Å; L417-M420 PolarHBondContact O-N 2.88Å; L417-M420 VanDerWaalsContact O-N 3.13Å; M420-S422 PolarHBondContact O-N 3.24Å; M420-E423 PolarHBondContact O-N 3.26Å; M420-G424 WeakPolarHBondContact O-CA 3.42Å; M420-G424 PolarHBondContact O-N 2.96Å; M420-L428 HydrophobicContact CB-CD2 3.96Å
421Y92.6Very high90Very high32 Ų3242.5 Ų42.513%0.12522%0.22CC..Hα-helixtrans-65.2-34.8175.2-80-70.5000112.9Y399 L417 E423 L428 Q430 D431 T434 Y438Y399-Y421 HydrophobicContact CE2-CE2 4.15Å; Y399-Y421 PolarHBondContact OH-OH 3.26Å; L417-Y421 VanDerWaalsContact O-CD2 3.26Å; L417-Y421 WeakPolarHBondContact O-CD2 3.49Å; L417-Y421 PolarHBondContact O-N 2.67Å; Y421-E423 PolarHBondContact O-N 3.31Å; Y421-L428 HydrophobicContact CD1-CD1 4.32Å; Y421-L428 HydrophobicContact CD1-CD2 3.87Å; Y421-L428 HydrophobicContact CD1-CG 4.13Å; Y421-L428 HydrophobicContact CD2-CD2 4.31Å; Y421-L428 HydrophobicContact CE1-CD1 3.66Å; Y421-L428 HydrophobicContact CE1-CD2 3.93Å; Y421-L428 HydrophobicContact CE1-CG 3.98Å; Y421-L428 HydrophobicContact CE2-CD2 4.33Å; Y421-L428 HydrophobicContact CG-CD2 4.07Å; Y421-Q430 WeakPolarHBondContact O-CA 3.48Å; Y421-D431 HydrophobicContact CD1-CB 4.32Å; Y421-D431 PolarHBondContact O-N 3.45Å; Y421-T434 WeakPolarHBondContact CD1-OG1 3.34Å; Y421-Y438 HydrophobicContact CD2-CD2 4.01Å; Y421-Y438 HydrophobicContact CD2-CE2 4.06Å; Y421-Y438 HydrophobicContact CE2-CD2 4.16Å; Y421-Y438 AromaticContact CE2-CE2 3.72Å; Y421-Y438 HydrophobicContact CE2-CE2 3.72Å
422S89.6Confident89.8Confident8 Ų843 Ų436%0.05622%0.221CC..Hα-helixtrans-74.2-22.4-178.7-164.70000114.2G418 K419 M420 Q430 R462G418-S422 WeakPolarHBondContact O-CB 3.38Å; G418-S422 PolarHBondContact O-N 2.9Å; K419-S422 PolarHBondContact O-N 3.18Å; M420-S422 PolarHBondContact O-N 3.24Å; S422-Q430 PolarHBondContact O-NE2 2.89Å; S422-R462 PolarHBondContact O-NH1 3.24Å; S422-R462 PolarHBondContact OG-NH1 3.5Å
423E85.8Confident89.8Confident52 Ų5246 Ų4624%0.24324%0.236CC..Hα-helixtrans-96.6-42.8173.5-67-165.3134.200113S331 L332 T333 K419 M420 Y421S331-E423 WeakPolarHBondContact CB-OE1 3.34Å; L332-E423 VanDerWaalsContact CA-OE1 3.24Å; L332-E423 WeakPolarHBondContact CA-OE1 3.44Å; L332-E423 HydrophobicContact CB-CG 4.19Å; L332-E423 WeakPolarHBondContact CB-OE1 3.37Å; L332-E423 PolarHBondContact N-OE1 3.41Å; T333-E423 WeakPolarHBondContact CB-OE2 3.49Å; T333-E423 WeakPolarHBondContact CG2-OE2 3.49Å; T333-E423 PolarHBondContact N-OE1 3.09Å; T333-E423 VanDerWaalsContact N-OE1 3.08Å; T333-E423 PolarHBondContact N-OE2 3.49Å; T333-E423 PolarHBondContact OG1-OE2 3.34Å; K419-E423 PolarHBondContact O-N 3.21Å; M420-E423 PolarHBondContact O-N 3.26Å; Y421-E423 PolarHBondContact O-N 3.31Å
424G85.8Confident89.7Confident24 Ų2447.6 Ų47.625%0.24725%0.246CC..  trans77.8165.4-161.800000113.1M420 L428M420-G424 WeakPolarHBondContact O-CA 3.42Å; M420-G424 PolarHBondContact O-N 2.96Å; G424-L428 CarbonylContact C-O 3.47Å; G424-L428 WeakPolarHBondContact CA-O 3.38Å
425S82.8Confident89.6Confident32 Ų3246.8 Ų46.822%0.22424%0.242CC..  trans-152.1175.9175.161.20000108.6F427 L428S425-F427 PolarHBondContact O-N 2.92Å; S425-L428 PolarHBondContact N-O 3.49Å; S425-L428 CarbonylContact O-C 3.1Å; S425-L428 PolarHBondContact O-N 3.28Å; S425-L428 VanDerWaalsContact O-O 3.08Å; S425-L428 WeakPolarHBondContact OG-CB 3.48Å; S425-L428 PolarHBondContact OG-N 3.21Å; S425-L428 VanDerWaalsContact OG-N 3.07Å
426E78.9Confident89.6Confident209 Ų20948.5 Ų48.598%0.97725%0.251SS*.SBendtrans-59.1-33.1176.3-174.3173.2-17200112.8
427F84.6Confident89.7Confident97 Ų9752.9 Ų52.943%0.42527%0.272SS..SBendtrans-84.9-42.3177.6175.7-104.7000113.2Q396 Y399 S425Q396-F427 HydrophobicContact CB-CD1 4.2Å; Q396-F427 HydrophobicContact CB-CD2 4.27Å; Q396-F427 HydrophobicContact CB-CE1 4.36Å; Q396-F427 HydrophobicContact CB-CE2 4.43Å; Q396-F427 HydrophobicContact CB-CG 4.16Å; Q396-F427 HydrophobicContact CB-CZ 4.48Å; Q396-F427 HydrophobicContact CG-CD1 4.41Å; Q396-F427 HydrophobicContact CG-CD2 4.21Å; Q396-F427 HydrophobicContact CG-CE1 4.1Å; Q396-F427 HydrophobicContact CG-CE2 3.88Å; Q396-F427 HydrophobicContact CG-CG 4.47Å; Q396-F427 HydrophobicContact CG-CZ 3.83Å; Y399-F427 HydrophobicContact CD1-CE1 4.18Å; Y399-F427 HydrophobicContact CG-CE1 4.34Å; S425-F427 PolarHBondContact O-N 2.92Å
428L87.4Confident89.8Confident15 Ų1555.3 Ų55.38%0.07928%0.281CS..SBendtrans-113.5108.4-173.2-169.573.2000110.2Y399 M420 Y421 G424 S425Y399-L428 HydrophobicContact CD2-CD1 4.31Å; Y399-L428 HydrophobicContact CD2-CD2 4.08Å; Y399-L428 HydrophobicContact CE2-CD1 4.09Å; Y399-L428 HydrophobicContact CE2-CD2 4.32Å; M420-L428 HydrophobicContact CB-CD2 3.96Å; Y421-L428 HydrophobicContact CD1-CD1 4.32Å; Y421-L428 HydrophobicContact CD1-CD2 3.87Å; Y421-L428 HydrophobicContact CD1-CG 4.13Å; Y421-L428 HydrophobicContact CD2-CD2 4.31Å; Y421-L428 HydrophobicContact CE1-CD1 3.66Å; Y421-L428 HydrophobicContact CE1-CD2 3.93Å; Y421-L428 HydrophobicContact CE1-CG 3.98Å; Y421-L428 HydrophobicContact CE2-CD2 4.33Å; Y421-L428 HydrophobicContact CG-CD2 4.07Å; G424-L428 CarbonylContact C-O 3.47Å; G424-L428 WeakPolarHBondContact CA-O 3.38Å; S425-L428 PolarHBondContact N-O 3.49Å; S425-L428 CarbonylContact O-C 3.1Å; S425-L428 PolarHBondContact O-N 3.28Å; S425-L428 VanDerWaalsContact O-O 3.08Å; S425-L428 WeakPolarHBondContact OG-CB 3.48Å; S425-L428 PolarHBondContact OG-N 3.21Å; S425-L428 VanDerWaalsContact OG-N 3.07Å
429P89.7Confident89.9Confident102 Ų10255.7 Ų55.766%0.66228%0.283SS*.  trans-64.4152.3179.227.5-34.7000111.7D431P429-D431 PolarHBondContact O-N 2.9Å
430Q91.1Very high90.2Very high105 Ų10560.4 Ų60.449%0.49130%0.303SS..  trans-66.7124.2178.6-170.4-173.321.800110.9Y421 S422Y421-Q430 WeakPolarHBondContact O-CA 3.48Å; S422-Q430 PolarHBondContact O-NE2 2.89Å
431D92.9Very high90.3Very high58 Ų5864.9 Ų64.931%0.3132%0.323SS..  trans-136.9112.5172.2175.510.4000110.1Y421 P429 E433 T434 A435Y421-D431 HydrophobicContact CD1-CB 4.32Å; Y421-D431 PolarHBondContact O-N 3.45Å; P429-D431 PolarHBondContact O-N 2.9Å; D431-E433 PolarHBondContact OD1-N 2.96Å; D431-T434 WeakPolarHBondContact CB-OG1 3.43Å; D431-T434 PolarHBondContact OD1-N 3.25Å; D431-T434 VanDerWaalsContact OD2-CB 3.32Å; D431-T434 WeakPolarHBondContact OD2-CB 3.46Å; D431-T434 WeakPolarHBondContact OD2-CG2 3.47Å; D431-T434 PolarHBondContact OD2-N 3Å; D431-T434 PolarHBondContact OD2-OG1 3.45Å; D431-A435 WeakPolarHBondContact O-CB 3.42Å; D431-A435 PolarHBondContact O-N 3.4Å
432N91.4Very high90.4Very high46 Ų4663.4 Ų63.425%0.24632%0.317CS..Hα-helixtrans-78.5-21-177.6-68.2-70.3000113L436 R462N432-L436 VanDerWaalsContact O-CB 3.3Å; N432-L436 WeakPolarHBondContact O-CB 3.45Å; N432-L436 PolarHBondContact O-N 3.46Å; N432-L436 VanDerWaalsContact O-N 3.13Å; N432-R462 HydrophobicContact CB-CB 4.34Å
433E91.6Very high90.7Very high137 Ų13763.6 Ų63.664%0.6432%0.318SS*.Hα-helixtrans-78-49.3-179.9-64.7-168.4-178.900111.1D431 L436 Q437D431-E433 PolarHBondContact OD1-N 2.96Å; E433-L436 PolarHBondContact O-N 2.89Å; E433-Q437 WeakPolarHBondContact O-CG 3.18Å; E433-Q437 PolarHBondContact O-N 3.18Å
434T92.3Very high91.1Very high35 Ų3566.4 Ų66.422%0.21534%0.335CS..Hα-helixtrans-64.3-40.6173.150.40000111.6Y421 D431 L436 Q437 Y438Y421-T434 WeakPolarHBondContact CD1-OG1 3.34Å; D431-T434 WeakPolarHBondContact CB-OG1 3.43Å; D431-T434 PolarHBondContact OD1-N 3.25Å; D431-T434 VanDerWaalsContact OD2-CB 3.32Å; D431-T434 WeakPolarHBondContact OD2-CB 3.46Å; D431-T434 WeakPolarHBondContact OD2-CG2 3.47Å; D431-T434 PolarHBondContact OD2-N 3Å; D431-T434 PolarHBondContact OD2-OG1 3.45Å; T434-L436 VanDerWaalsContact C-N 3.29Å; T434-L436 PolarHBondContact O-N 3.48Å; T434-Q437 WeakPolarHBondContact O-CB 3.39Å; T434-Q437 PolarHBondContact O-N 3.32Å; T434-Q437 VanDerWaalsContact O-N 3.13Å; T434-Y438 VanDerWaalsContact O-CD2 3.26Å; T434-Y438 WeakPolarHBondContact O-CD2 3.37Å; T434-Y438 PolarHBondContact O-N 3.12Å
435A93.1Very high91.4Very high1 Ų170.6 Ų70.61%0.00835%0.349CS..Hα-helixtrans-52.4-47.4172.200000112.2G418 D431 Q437 Y438 F439G418-A435 WeakPolarHBondContact O-CB 3.32Å; D431-A435 WeakPolarHBondContact O-CB 3.42Å; D431-A435 PolarHBondContact O-N 3.4Å; A435-Q437 PolarHBondContact O-N 3.12Å; A435-Y438 PolarHBondContact O-N 2.82Å; A435-F439 HydrophobicContact CB-CD2 4.47Å; A435-F439 HydrophobicContact CB-CE2 4.22Å; A435-F439 WeakPolarHBondContact O-CD2 3.44Å; A435-F439 WeakPolarHBondContact O-CG 3.4Å; A435-F439 PolarHBondContact O-N 2.87Å
436L93.9Very high91.9Very high35 Ų3570.5 Ų70.518%0.18335%0.354CS..Hα-helixtrans-65.8-37.6179.2-172.8140.5000112.6N432 E433 T434 K440 L454 A457 V464N432-L436 VanDerWaalsContact O-CB 3.3Å; N432-L436 WeakPolarHBondContact O-CB 3.45Å; N432-L436 PolarHBondContact O-N 3.46Å; N432-L436 VanDerWaalsContact O-N 3.13Å; E433-L436 PolarHBondContact O-N 2.89Å; T434-L436 VanDerWaalsContact C-N 3.29Å; T434-L436 PolarHBondContact O-N 3.48Å; L436-K440 VanDerWaalsContact O-CB 3.24Å; L436-K440 WeakPolarHBondContact O-CB 3.5Å; L436-K440 PolarHBondContact O-N 3.46Å; L436-L454 HydrophobicContact CG-CD2 4.43Å; L436-A457 HydrophobicContact CD1-CB 4.13Å; L436-V464 HydrophobicContact CD1-CB 4.18Å; L436-V464 HydrophobicContact CD1-CG1 3.53Å; L436-V464 HydrophobicContact CD1-CG2 3.77Å
437Q94.3Very high92.6Very high103 Ų10360.8 Ų60.848%0.48131%0.308SS..Hα-helixtrans-61.6-43.9173.7-68177.433.900111.8E433 T434 A435 K440 K441E433-Q437 WeakPolarHBondContact O-CG 3.18Å; E433-Q437 PolarHBondContact O-N 3.18Å; T434-Q437 WeakPolarHBondContact O-CB 3.39Å; T434-Q437 PolarHBondContact O-N 3.32Å; T434-Q437 VanDerWaalsContact O-N 3.13Å; A435-Q437 PolarHBondContact O-N 3.12Å; Q437-K440 PolarHBondContact O-N 3.03Å; Q437-K441 WeakPolarHBondContact O-CG 3.44Å; Q437-K441 PolarHBondContact O-N 3.4Å
438Y95.1Very high93Very high50 Ų5057 Ų5720%0.19629%0.293CS..Hα-helixtrans-68.2-44.7177.3-81.2-70.2000112.6M414 L417 Y421 T434 A435 K440 K441 A442M414-Y438 HydrophobicContact CB-CD1 4.4Å; M414-Y438 WeakPolarHBondContact O-CB 3.24Å; L417-Y438 HydrophobicContact CB-CD1 4.27Å; L417-Y438 HydrophobicContact CB-CE1 4.45Å; L417-Y438 HydrophobicContact CB-CG 4.32Å; L417-Y438 HydrophobicContact CD1-CD1 4.35Å; L417-Y438 HydrophobicContact CD1-CE1 3.86Å; Y421-Y438 HydrophobicContact CD2-CD2 4.01Å; Y421-Y438 HydrophobicContact CD2-CE2 4.06Å; Y421-Y438 HydrophobicContact CE2-CD2 4.16Å; Y421-Y438 AromaticContact CE2-CE2 3.72Å; Y421-Y438 HydrophobicContact CE2-CE2 3.72Å; T434-Y438 VanDerWaalsContact O-CD2 3.26Å; T434-Y438 WeakPolarHBondContact O-CD2 3.37Å; T434-Y438 PolarHBondContact O-N 3.12Å; A435-Y438 PolarHBondContact O-N 2.82Å; Y438-K440 VanDerWaalsContact C-N 3.29Å; Y438-K440 PolarHBondContact O-N 3.42Å; Y438-K441 PolarHBondContact O-N 2.81Å; Y438-A442 WeakPolarHBondContact O-CB 3.46Å; Y438-A442 PolarHBondContact O-N 3.1Å
439F94.8Very high93.2Very high8 Ų856.5 Ų56.54%0.03529%0.291CS..Hα-helixtrans-60.5-38.1174-69.3-42.1000112.4A415 G418 K419 A435 S443 L454A415-F439 WeakPolarHBondContact O-CE1 3.44Å; G418-F439 VanDerWaalsContact C-CE1 3.44Å; G418-F439 VanDerWaalsContact O-CZ 3.26Å; G418-F439 WeakPolarHBondContact O-CZ 3.23Å; K419-F439 HydrophobicContact CB-CE1 4.46Å; A435-F439 HydrophobicContact CB-CD2 4.47Å; A435-F439 HydrophobicContact CB-CE2 4.22Å; A435-F439 WeakPolarHBondContact O-CD2 3.44Å; A435-F439 WeakPolarHBondContact O-CG 3.4Å; A435-F439 PolarHBondContact O-N 2.87Å; F439-S443 WeakPolarHBondContact O-CB 3.46Å; F439-S443 PolarHBondContact O-N 2.93Å; F439-L454 HydrophobicContact CB-CD2 3.86Å; F439-L454 HydrophobicContact CB-CG 4.07Å
440K94.9Very high93.4Very high114 Ų11451.6 Ų51.650%0.49626%0.259SS..Hα-helixtrans-63.6-52.1175-173.2179.4176.6-173.20111.5L436 Q437 Y438 A442 S443 D444 L454L436-K440 VanDerWaalsContact O-CB 3.24Å; L436-K440 WeakPolarHBondContact O-CB 3.5Å; L436-K440 PolarHBondContact O-N 3.46Å; Q437-K440 PolarHBondContact O-N 3.03Å; Y438-K440 VanDerWaalsContact C-N 3.29Å; Y438-K440 PolarHBondContact O-N 3.42Å; K440-A442 VanDerWaalsContact C-N 3.32Å; K440-A442 PolarHBondContact O-N 2.81Å; K440-S443 PolarHBondContact O-N 2.97Å; K440-S443 VanDerWaalsContact O-N 3.17Å; K440-D444 WeakPolarHBondContact CG-OD2 3.13Å; K440-D444 WeakPolarHBondContact O-CB 3.13Å; K440-D444 VanDerWaalsContact O-CG 3.23Å; K440-D444 PolarHBondContact O-N 2.82Å; K440-L454 HydrophobicContact CB-CD2 4.35Å
441K94.8Very high93.6Very high100 Ų10046.9 Ų46.944%0.43524%0.237SC..Hα-helixtrans-52.8-48.7176-71.9169.7-176.7175.70111.7M414 Q437 Y438 D444 M445M414-K441 HydrophobicContact SD-CB 4.03Å; Q437-K441 WeakPolarHBondContact O-CG 3.44Å; Q437-K441 PolarHBondContact O-N 3.4Å; Y438-K441 PolarHBondContact O-N 2.81Å; K441-D444 PolarHBondContact O-N 3.25Å; K441-M445 WeakPolarHBondContact O-CG 3.34Å; K441-M445 PolarHBondContact O-N 3.26Å
442A94.8Very high93.6Very high0 Ų044.2 Ų44.20%022%0.223CC..Hα-helixtrans-64.9-42.5178.700000112.7M414 A415 Y438 K440 M445 G446 N447M414-A442 HydrophobicContact CB-CB 4.12Å; A415-A442 HydrophobicContact CB-CB 3.92Å; Y438-A442 WeakPolarHBondContact O-CB 3.46Å; Y438-A442 PolarHBondContact O-N 3.1Å; K440-A442 VanDerWaalsContact C-N 3.32Å; K440-A442 PolarHBondContact O-N 2.81Å; A442-M445 CarbonylContact O-C 3.56Å; A442-M445 PolarHBondContact O-N 3.25Å; A442-G446 PolarHBondContact O-N 3.4Å; A442-N447 HydrophobicContact CB-CB 4.18Å; A442-N447 WeakPolarHBondContact O-CB 3.4Å; A442-N447 PolarHBondContact O-N 3.04Å
443S94.8Very high93.6Very high12 Ų1242.2 Ų42.28%0.08421%0.214CC..Hα-helixtrans-68.8-35178.4179.80000113.2F439 K440 M445 G446 Q451 L454F439-S443 WeakPolarHBondContact O-CB 3.46Å; F439-S443 PolarHBondContact O-N 2.93Å; K440-S443 PolarHBondContact O-N 2.97Å; K440-S443 VanDerWaalsContact O-N 3.17Å; S443-M445 VanDerWaalsContact C-N 3.26Å; S443-G446 WeakPolarHBondContact O-CA 3.26Å; S443-G446 PolarHBondContact O-N 3.35Å; S443-Q451 VanDerWaalsContact OG-CG 3.32Å; S443-Q451 WeakPolarHBondContact OG-CG 3.33Å; S443-L454 VanDerWaalsContact CB-CD1 3.48Å
444D94.1Very high93.7Very high112 Ų11236 Ų3660%0.59919%0.185SC*.Hα-helixtrans-67.3-32.3177.1-70.8-17.7000110.2K440 K441 G446K440-D444 WeakPolarHBondContact CG-OD2 3.13Å; K440-D444 WeakPolarHBondContact O-CB 3.13Å; K440-D444 VanDerWaalsContact O-CG 3.23Å; K440-D444 PolarHBondContact O-N 2.82Å; K441-D444 PolarHBondContact O-N 3.25Å; D444-G446 PolarHBondContact O-N 2.98Å
445M92.6Very high93.8Very high111 Ų11134.3 Ų34.355%0.54717%0.174SC..THydrogen-bonded Turntrans-81.412.5168.2-60.7175.1176.700113.8T411 M414 K441 A442 S443 N447T411-M445 HydrophobicContact CG2-CB 3.62Å; T411-M445 HydrophobicContact CG2-CG 4.32Å; T411-M445 HydrophobicContact CG2-SD 3.8Å; M414-M445 HydrophobicContact CE-CE 4.41Å; M414-M445 HydrophobicContact CE-SD 4.41Å; M414-M445 HydrophobicContact SD-SD 4.22Å; K441-M445 WeakPolarHBondContact O-CG 3.34Å; K441-M445 PolarHBondContact O-N 3.26Å; A442-M445 CarbonylContact O-C 3.56Å; A442-M445 PolarHBondContact O-N 3.25Å; S443-M445 VanDerWaalsContact C-N 3.26Å; M445-N447 PolarHBondContact O-N 3.22Å
446G91.9Very high93.7Very high31 Ų3134.9 Ų34.932%0.3218%0.177SC..THydrogen-bonded Turntrans80.82.5172.400000116.7A442 S443 D444 Q451 Q481A442-G446 PolarHBondContact O-N 3.4Å; S443-G446 WeakPolarHBondContact O-CA 3.26Å; S443-G446 PolarHBondContact O-N 3.35Å; D444-G446 PolarHBondContact O-N 2.98Å; G446-Q451 PolarHBondContact O-NE2 2.88Å; G446-Q481 PolarHBondContact O-NE2 3.39Å; G446-Q481 PolarHBondContact O-OE1 2.88Å
447N94.1Very high93.7Very high4 Ų433.5 Ų33.52%0.02117%0.17CC..  trans-68.8132.4-175.4-172.6-73.2000112.6T411 H412 A442 M445 V449 G450 Q451T411-N447 PolarHBondContact OG1-ND2 2.7Å; H412-N447 PolarHBondContact CE1-ND2 3.48Å; H412-N447 PolarHBondContact N-ND2 2.82Å; H412-N447 PolarHBondContact ND1-ND2 3.48Å; A442-N447 HydrophobicContact CB-CB 4.18Å; A442-N447 WeakPolarHBondContact O-CB 3.4Å; A442-N447 PolarHBondContact O-N 3.04Å; M445-N447 PolarHBondContact O-N 3.22Å; N447-V449 WeakPolarHBondContact OD1-CA 3.25Å; N447-V449 VanDerWaalsContact OD1-CB 3.27Å; N447-V449 WeakPolarHBondContact OD1-CB 3.33Å; N447-V449 PolarHBondContact OD1-N 2.72Å; N447-G450 PolarHBondContact O-N 3.41Å; N447-G450 PolarHBondContact OD1-N 3.39Å; N447-Q451 VanDerWaalsContact O-CG 3.31Å; N447-Q451 WeakPolarHBondContact O-CG 3.39Å; N447-Q451 PolarHBondContact O-N 3.08Å
448P93.9Very high93.7Very high17 Ų1730.8 Ų30.811%0.1116%0.156CC..Hα-helixtrans-77.7-25.1-173.430.5-33000113.5Q451 S452 A478 Q481 W483P448-Q451 PolarHBondContact O-N 2.69Å; P448-S452 WeakPolarHBondContact O-CB 3.29Å; P448-S452 PolarHBondContact O-N 3.07Å; P448-A478 HydrophobicContact CB-CB 4.36Å; P448-Q481 HydrophobicContact CB-CB 3.95Å; P448-Q481 VanDerWaalsContact CB-OE1 3.26Å; P448-Q481 HydrophobicContact CG-CB 4.36Å; P448-Q481 VanDerWaalsContact CG-OE1 3.31Å; P448-W483 HydrophobicContact CB-CB 3.76Å; P448-W483 HydrophobicContact CB-CG 4.29Å; P448-W483 HydrophobicContact CG-CB 4.28Å
449V91.3Very high93.6Very high5 Ų529.1 Ų29.13%0.0315%0.15CC..Hα-helixtrans-67.6-43.1173.1-168.20000109.2A415 N447 S452 G453 W483A415-V449 HydrophobicContact CB-CB 3.64Å; A415-V449 HydrophobicContact CB-CG1 3.81Å; N447-V449 WeakPolarHBondContact OD1-CA 3.25Å; N447-V449 VanDerWaalsContact OD1-CB 3.27Å; N447-V449 WeakPolarHBondContact OD1-CB 3.33Å; N447-V449 PolarHBondContact OD1-N 2.72Å; V449-S452 PolarHBondContact O-N 3.22Å; V449-G453 PolarHBondContact O-N 3.39Å; V449-W483 HydrophobicContact CB-CZ2 4.37Å; V449-W483 HydrophobicContact CG1-CZ2 4.05Å; V449-W483 HydrophobicContact CG2-CD2 3.98Å; V449-W483 HydrophobicContact CG2-CE3 3.93Å; V449-W483 HydrophobicContact CG2-CH2 3.68Å; V449-W483 HydrophobicContact CG2-CZ2 3.71Å; V449-W483 HydrophobicContact CG2-CZ3 3.78Å
450G92.9Very high93.4Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-61.7-44.4172.900000113N447 G453 L454N447-G450 PolarHBondContact O-N 3.41Å; N447-G450 PolarHBondContact OD1-N 3.39Å; G450-G453 PolarHBondContact O-N 3.22Å; G450-L454 PolarHBondContact O-N 3.07Å
451Q95.3Very high93.1Very high6 Ų631 Ų313%0.02816%0.164CC..Hα-helixtrans-60.6-45.5174-69.41651700111.9S443 G446 N447 P448 G453 L454 G455 Y474 K477 A478S443-Q451 VanDerWaalsContact OG-CG 3.32Å; S443-Q451 WeakPolarHBondContact OG-CG 3.33Å; G446-Q451 PolarHBondContact O-NE2 2.88Å; N447-Q451 VanDerWaalsContact O-CG 3.31Å; N447-Q451 WeakPolarHBondContact O-CG 3.39Å; N447-Q451 PolarHBondContact O-N 3.08Å; P448-Q451 PolarHBondContact O-N 2.69Å; Q451-G453 VanDerWaalsContact C-N 3.34Å; Q451-G453 PolarHBondContact O-N 2.89Å; Q451-L454 PolarHBondContact O-N 3.01Å; Q451-G455 PolarHBondContact O-N 2.96Å; Q451-Y474 HydrophobicContact CB-CD1 4.44Å; Q451-Y474 HydrophobicContact CG-CD1 4.47Å; Q451-Y474 WeakPolarHBondContact O-CB 3.41Å; Q451-K477 VanDerWaalsContact OE1-C 3.3Å; Q451-A478 HydrophobicContact CB-CB 4.17Å
452S93.3Very high92.8Very high2 Ų230.4 Ų30.41%0.01416%0.159CC..Hα-helixtrans-60.1-44.3175.6-168.80000111.3P448 V449 L454 G455 M456 F475P448-S452 WeakPolarHBondContact O-CB 3.29Å; P448-S452 PolarHBondContact O-N 3.07Å; V449-S452 PolarHBondContact O-N 3.22Å; S452-L454 PolarHBondContact O-N 3.31Å; S452-G455 WeakPolarHBondContact O-CA 3.37Å; S452-G455 PolarHBondContact O-N 3.15Å; S452-G455 VanDerWaalsContact O-N 3.12Å; S452-M456 PolarHBondContact O-N 3.01Å; S452-M456 WeakPolarHBondContact OG-CE 2.83Å; S452-F475 WeakPolarHBondContact O-CE1 3.36Å
453G92Very high92.3Very high4 Ų432.8 Ų32.84%0.04118%0.184CC..Hα-helixtrans-58.3-4517500000113.5V449 G450 Q451 M456 A457V449-G453 PolarHBondContact O-N 3.39Å; G450-G453 PolarHBondContact O-N 3.22Å; Q451-G453 VanDerWaalsContact C-N 3.34Å; Q451-G453 PolarHBondContact O-N 2.89Å; G453-M456 WeakPolarHBondContact O-CB 3.47Å; G453-M456 PolarHBondContact O-N 3.01Å; G453-A457 PolarHBondContact O-N 3.43Å
454L93.5Very high92.2Very high6 Ų633.7 Ų33.73%0.03119%0.189CC..Hα-helixtrans-62.9-41.1171.8-71.4-174.1000112.4L436 F439 K440 S443 G450 Q451 S452 M456 A457 Y458 Y474L436-L454 HydrophobicContact CG-CD2 4.43Å; F439-L454 HydrophobicContact CB-CD2 3.86Å; F439-L454 HydrophobicContact CB-CG 4.07Å; K440-L454 HydrophobicContact CB-CD2 4.35Å; S443-L454 VanDerWaalsContact CB-CD1 3.48Å; G450-L454 PolarHBondContact O-N 3.07Å; Q451-L454 PolarHBondContact O-N 3.01Å; S452-L454 PolarHBondContact O-N 3.31Å; L454-M456 VanDerWaalsContact C-N 3.3Å; L454-M456 PolarHBondContact O-N 3.1Å; L454-A457 WeakPolarHBondContact O-CB 3.49Å; L454-A457 PolarHBondContact O-N 3.28Å; L454-Y458 WeakPolarHBondContact O-CD2 3.4Å; L454-Y458 PolarHBondContact O-N 3.44Å; L454-Y474 HydrophobicContact CB-CD1 4.29Å; L454-Y474 HydrophobicContact CB-CD2 4.39Å; L454-Y474 HydrophobicContact CB-CE1 4.48Å; L454-Y474 HydrophobicContact CB-CG 4.25Å; L454-Y474 HydrophobicContact CD1-CD1 4.2Å; L454-Y474 HydrophobicContact CD1-CE1 3.67Å
455G93.8Very high92.2Very high0 Ų033.6 Ų33.60%019%0.194CC..Hα-helixtrans-56.5-45.4173.800000111.7Q451 S452 Y458 L459 A471Q451-G455 PolarHBondContact O-N 2.96Å; S452-G455 WeakPolarHBondContact O-CA 3.37Å; S452-G455 PolarHBondContact O-N 3.15Å; S452-G455 VanDerWaalsContact O-N 3.12Å; G455-Y458 PolarHBondContact O-N 2.89Å; G455-L459 VanDerWaalsContact O-CB 3.23Å; G455-L459 WeakPolarHBondContact O-CB 3.38Å; G455-L459 PolarHBondContact O-N 2.97Å; G455-A471 WeakPolarHBondContact O-CB 3.33Å
456M91.9Very high92.2Very high12 Ų1231.8 Ų31.86%0.05919%0.189CC..Hα-helixtrans-59.7-45.1174-124.367.669.100112.1L332 S452 G453 L454 L459 Y460 F475 Q489L332-M456 HydrophobicContact CD1-CE 4.12Å; S452-M456 PolarHBondContact O-N 3.01Å; S452-M456 WeakPolarHBondContact OG-CE 2.83Å; G453-M456 WeakPolarHBondContact O-CB 3.47Å; G453-M456 PolarHBondContact O-N 3.01Å; L454-M456 VanDerWaalsContact C-N 3.3Å; L454-M456 PolarHBondContact O-N 3.1Å; M456-L459 PolarHBondContact O-N 3.5Å; M456-Y460 HydrophobicContact CG-CD2 4.08Å; M456-Y460 HydrophobicContact CG-CE2 4Å; M456-Y460 WeakPolarHBondContact O-CD2 3.27Å; M456-Y460 PolarHBondContact O-N 3.11Å; M456-Y460 HydrophobicContact SD-CE2 4.3Å; M456-F475 HydrophobicContact CE-CE1 3.84Å; M456-F475 HydrophobicContact CE-CZ 4.34Å; M456-F475 HydrophobicContact SD-CE1 3.92Å; M456-F475 HydrophobicContact SD-CZ 3.78Å; M456-Q489 HydrophobicContact CE-CG 3.94Å; M456-Q489 HydrophobicContact SD-CG 3.63Å
457A92.6Very high92.4Very high6 Ų633 Ų335%0.0519%0.189CC..Hα-helixtrans-61-46.4179.700000111.7L436 G453 L454 G461 R462 V464L436-A457 HydrophobicContact CD1-CB 4.13Å; G453-A457 PolarHBondContact O-N 3.43Å; L454-A457 WeakPolarHBondContact O-CB 3.49Å; L454-A457 PolarHBondContact O-N 3.28Å; A457-G461 CarbonylContact O-C 3.6Å; A457-G461 VanDerWaalsContact O-CA 3.28Å; A457-G461 WeakPolarHBondContact O-CA 3.21Å; A457-G461 PolarHBondContact O-N 3.49Å; A457-R462 PolarHBondContact O-N 2.88Å; A457-V464 HydrophobicContact CB-CG2 3.94Å
458Y94.6Very high92.4Very high47 Ų4737.9 Ų37.918%0.18421%0.208CC..Hα-helixtrans-71.7-27.7175.5-74.1-65000114.1L454 G455 V464 V466 N467 L470 Y474L454-Y458 WeakPolarHBondContact O-CD2 3.4Å; L454-Y458 PolarHBondContact O-N 3.44Å; G455-Y458 PolarHBondContact O-N 2.89Å; Y458-V464 HydrophobicContact CD1-CB 4.17Å; Y458-V464 HydrophobicContact CD1-CG2 3.81Å; Y458-V464 HydrophobicContact CE1-CB 3.97Å; Y458-V464 HydrophobicContact CE1-CG1 4.12Å; Y458-V464 HydrophobicContact CE1-CG2 3.99Å; Y458-V464 HydrophobicContact CG-CG2 4.27Å; Y458-V466 WeakPolarHBondContact O-CA 3.48Å; Y458-N467 HydrophobicContact CD1-CB 4.08Å; Y458-N467 PolarHBondContact O-N 3.5Å; Y458-L470 HydrophobicContact CD1-CB 4.4Å; Y458-L470 HydrophobicContact CD1-CD1 4.23Å; Y458-L470 HydrophobicContact CD2-CB 4.15Å; Y458-L470 HydrophobicContact CE1-CD1 3.82Å; Y458-L470 HydrophobicContact CE2-CB 4.43Å; Y458-L470 HydrophobicContact CE2-CD1 4.44Å; Y458-L470 HydrophobicContact CG-CB 4.14Å; Y458-Y474 HydrophobicContact CD2-CD2 4.04Å; Y458-Y474 HydrophobicContact CD2-CE2 4.04Å; Y458-Y474 HydrophobicContact CE2-CD2 4.14Å; Y458-Y474 AromaticContact CE2-CE2 3.66Å; Y458-Y474 HydrophobicContact CE2-CE2 3.66Å
459L92.9Very high92.4Very high14 Ų1444.5 Ų44.57%0.07324%0.237CC..Hα-helixtrans-71.5-43.5178.1-179.364.2000112G455 M456 Y468 A471 F475 I498G455-L459 VanDerWaalsContact O-CB 3.23Å; G455-L459 WeakPolarHBondContact O-CB 3.38Å; G455-L459 PolarHBondContact O-N 2.97Å; M456-L459 PolarHBondContact O-N 3.5Å; L459-Y468 HydrophobicContact CD1-CD1 3.85Å; L459-Y468 HydrophobicContact CD1-CE1 4Å; L459-A471 HydrophobicContact CB-CB 4.15Å; L459-F475 HydrophobicContact CB-CE2 4.27Å; L459-F475 HydrophobicContact CB-CZ 4.48Å; L459-F475 HydrophobicContact CD2-CE2 3.99Å; L459-F475 HydrophobicContact CD2-CZ 4.13Å; L459-I498 HydrophobicContact CD1-CG2 3.92Å
460Y90.6Very high92.5Very high132 Ų13247 Ų4752%0.51825%0.25SC..Hα-helixtrans-102.4-9-175.7-64.4-67.7000114.5M456M456-Y460 HydrophobicContact CG-CD2 4.08Å; M456-Y460 HydrophobicContact CG-CE2 4Å; M456-Y460 WeakPolarHBondContact O-CD2 3.27Å; M456-Y460 PolarHBondContact O-N 3.11Å; M456-Y460 HydrophobicContact SD-CE2 4.3Å
461G90.3Very high92.6Very high29 Ų2947 Ų4730%0.29925%0.25SC..THydrogen-bonded Turntrans7830.1-17900000114.3A457 G463 V464A457-G461 CarbonylContact O-C 3.6Å; A457-G461 VanDerWaalsContact O-CA 3.28Å; A457-G461 WeakPolarHBondContact O-CA 3.21Å; A457-G461 PolarHBondContact O-N 3.49Å; G461-G463 PolarHBondContact O-N 2.91Å; G461-V464 CarbonylContact C-O 3.11Å; G461-V464 WeakPolarHBondContact CA-O 3.46Å
462R87.7Confident92.6Very high88 Ų8848.1 Ų48.133%0.33226%0.256SS..SBendtrans-82.8104.6-179.3-64.5-176.6-175.8-172.8-0.5110S422 N432 A457 V464S422-R462 PolarHBondContact O-NH1 3.24Å; S422-R462 PolarHBondContact OG-NH1 3.5Å; N432-R462 HydrophobicContact CB-CB 4.34Å; A457-R462 PolarHBondContact O-N 2.88Å; R462-V464 PolarHBondContact O-N 2.95Å
463G84.2Confident92.7Very high51 Ų5153.9 Ų53.953%0.52628%0.281SS..SBendtrans73.5-2.8-179.600000115.4G461G461-G463 PolarHBondContact O-N 2.91Å
464V92.4Very high92.9Very high30 Ų3056 Ų5618%0.18229%0.288CS..SBendtrans-142154.9176.4-85.90000110.4L436 A457 Y458 G461 R462L436-V464 HydrophobicContact CD1-CB 4.18Å; L436-V464 HydrophobicContact CD1-CG1 3.53Å; L436-V464 HydrophobicContact CD1-CG2 3.77Å; A457-V464 HydrophobicContact CB-CG2 3.94Å; Y458-V464 HydrophobicContact CD1-CB 4.17Å; Y458-V464 HydrophobicContact CD1-CG2 3.81Å; Y458-V464 HydrophobicContact CE1-CB 3.97Å; Y458-V464 HydrophobicContact CE1-CG1 4.12Å; Y458-V464 HydrophobicContact CE1-CG2 3.99Å; Y458-V464 HydrophobicContact CG-CG2 4.27Å; G461-V464 CarbonylContact C-O 3.11Å; G461-V464 WeakPolarHBondContact CA-O 3.46Å; R462-V464 PolarHBondContact O-N 2.95Å
465P93.4Very high93Very high110 Ų11055.7 Ų55.771%0.71429%0.286SS*.  trans-62.4143.6170.427.7-35.2000111.2N467P465-N467 PolarHBondContact O-N 2.95Å
466V94.4Very high93.1Very high73 Ų7358.7 Ų58.744%0.44230%0.3SS..  trans-59.2126.2179.4178.90000110.5Y458 Y468Y458-V466 WeakPolarHBondContact O-CA 3.48Å; V466-Y468 HydrophobicContact CG1-CD1 4.16Å; V466-Y468 HydrophobicContact CG1-CE1 3.57Å; V466-Y468 HydrophobicContact CG1-CE2 4.05Å
467N95.3Very high93.3Very high58 Ų5862.5 Ų62.531%0.3132%0.316SS..  trans-146.1100.2176.2-173-34.9000110.9Y458 P465 E469 L470 A471Y458-N467 HydrophobicContact CD1-CB 4.08Å; Y458-N467 PolarHBondContact O-N 3.5Å; P465-N467 PolarHBondContact O-N 2.95Å; N467-E469 VanDerWaalsContact C-N 3.34Å; N467-E469 PolarHBondContact O-N 3.44Å; N467-E469 PolarHBondContact OD1-N 3.12Å; N467-E469 VanDerWaalsContact OD1-N 3.11Å; N467-L470 HydrophobicContact CB-CB 4.26Å; N467-L470 HydrophobicContact CB-CD1 4.22Å; N467-L470 HydrophobicContact CB-CG 4.41Å; N467-L470 PolarHBondContact O-N 3.17Å; N467-L470 PolarHBondContact OD1-N 3.45Å; N467-A471 WeakPolarHBondContact O-CB 3.26Å; N467-A471 PolarHBondContact O-N 3.19Å
468Y94.5Very high93.4Very high106 Ų10662.2 Ų62.242%0.41631%0.314SS..Hα-helixtrans-69.1-26.8-176.4-54.6-58.7000114.3L459 V466 L472 I498L459-Y468 HydrophobicContact CD1-CD1 3.85Å; L459-Y468 HydrophobicContact CD1-CE1 4Å; V466-Y468 HydrophobicContact CG1-CD1 4.16Å; V466-Y468 HydrophobicContact CG1-CE1 3.57Å; V466-Y468 HydrophobicContact CG1-CE2 4.05Å; Y468-L472 WeakPolarHBondContact O-CB 3.41Å; Y468-L472 PolarHBondContact O-N 3.45Å; Y468-I498 HydrophobicContact CD1-CG2 3.62Å; Y468-I498 HydrophobicContact CE1-CG2 3.68Å; Y468-I498 HydrophobicContact CG-CG2 4.19Å
469E93.6Very high93.4Very high155 Ų15560.5 Ų60.572%0.72431%0.31SS*.Hα-helixtrans-71.4-43.2178-61.8-176.8173.700111.1N467 K473N467-E469 VanDerWaalsContact C-N 3.34Å; N467-E469 PolarHBondContact O-N 3.44Å; N467-E469 PolarHBondContact OD1-N 3.12Å; N467-E469 VanDerWaalsContact OD1-N 3.11Å; E469-K473 WeakPolarHBondContact O-CB 3.37Å; E469-K473 PolarHBondContact O-N 2.9Å; E469-K473 VanDerWaalsContact O-N 3.08Å
470L93.8Very high93.4Very high57 Ų5767.4 Ų67.430%0.29834%0.342SS..Hα-helixtrans-65.5-44.8172.3-69.7179.4000111Y458 N467 L472 K473 Y474Y458-L470 HydrophobicContact CD1-CB 4.4Å; Y458-L470 HydrophobicContact CD1-CD1 4.23Å; Y458-L470 HydrophobicContact CD2-CB 4.15Å; Y458-L470 HydrophobicContact CE1-CD1 3.82Å; Y458-L470 HydrophobicContact CE2-CB 4.43Å; Y458-L470 HydrophobicContact CE2-CD1 4.44Å; Y458-L470 HydrophobicContact CG-CB 4.14Å; N467-L470 HydrophobicContact CB-CB 4.26Å; N467-L470 HydrophobicContact CB-CD1 4.22Å; N467-L470 HydrophobicContact CB-CG 4.41Å; N467-L470 PolarHBondContact O-N 3.17Å; N467-L470 PolarHBondContact OD1-N 3.45Å; L470-L472 VanDerWaalsContact C-N 3.35Å; L470-L472 PolarHBondContact O-N 2.8Å; L470-K473 PolarHBondContact O-N 3.23Å; L470-K473 VanDerWaalsContact O-N 3.1Å; L470-Y474 WeakPolarHBondContact O-CD2 3.47Å; L470-Y474 PolarHBondContact O-N 3.12Å
471A95.1Very high93.5Very high0 Ų066.1 Ų66.10%034%0.34CS..Hα-helixtrans-54.5-50.1176.700000111.6G455 L459 N467 K473 Y474 F475G455-A471 WeakPolarHBondContact O-CB 3.33Å; L459-A471 HydrophobicContact CB-CB 4.15Å; N467-A471 WeakPolarHBondContact O-CB 3.26Å; N467-A471 PolarHBondContact O-N 3.19Å; A471-K473 VanDerWaalsContact C-N 3.35Å; A471-K473 PolarHBondContact O-N 3.46Å; A471-Y474 PolarHBondContact O-N 3.46Å; A471-F475 HydrophobicContact CB-CD2 4.37Å; A471-F475 HydrophobicContact CB-CE2 4.09Å; A471-F475 WeakPolarHBondContact O-CD2 3.47Å; A471-F475 WeakPolarHBondContact O-CG 3.49Å; A471-F475 PolarHBondContact O-N 3.41Å
472L95.3Very high93.6Very high30 Ų3066.7 Ų66.716%0.15735%0.347CS..Hα-helixtrans-55.4-47174.4170.5139.5000112.3Y468 L470 Y474 F475 Q476 M493 V500Y468-L472 WeakPolarHBondContact O-CB 3.41Å; Y468-L472 PolarHBondContact O-N 3.45Å; L470-L472 VanDerWaalsContact C-N 3.35Å; L470-L472 PolarHBondContact O-N 2.8Å; L472-Y474 VanDerWaalsContact C-N 3.3Å; L472-Y474 PolarHBondContact O-N 3.47Å; L472-F475 PolarHBondContact O-N 2.89Å; L472-Q476 HydrophobicContact CD2-CG 4.42Å; L472-Q476 HydrophobicContact CG-CG 4.31Å; L472-Q476 WeakPolarHBondContact O-CB 3.49Å; L472-Q476 WeakPolarHBondContact O-CG 3.36Å; L472-Q476 PolarHBondContact O-N 2.69Å; L472-M493 HydrophobicContact CB-CE 3.87Å; L472-V500 HydrophobicContact CD1-CG1 3.07Å
473K95.3Very high93.8Very high123 Ų12365.5 Ų65.554%0.53534%0.342SS..Hα-helixtrans-62.4-37.6-178.5-175.6177-178.7177.10112.1E469 L470 A471 K477E469-K473 WeakPolarHBondContact O-CB 3.37Å; E469-K473 PolarHBondContact O-N 2.9Å; E469-K473 VanDerWaalsContact O-N 3.08Å; L470-K473 PolarHBondContact O-N 3.23Å; L470-K473 VanDerWaalsContact O-N 3.1Å; A471-K473 VanDerWaalsContact C-N 3.35Å; A471-K473 PolarHBondContact O-N 3.46Å; K473-K477 WeakPolarHBondContact O-CG 3.15Å; K473-K477 PolarHBondContact O-N 3.41Å
474Y95.9Very high94.2Very high49 Ų4964.5 Ų64.519%0.19233%0.326CS..Hα-helixtrans-73.9-41.3175.7-76.5-70.8000112.4Q451 L454 Y458 L470 A471 L472 Q476 K477 A478Q451-Y474 HydrophobicContact CB-CD1 4.44Å; Q451-Y474 HydrophobicContact CG-CD1 4.47Å; Q451-Y474 WeakPolarHBondContact O-CB 3.41Å; L454-Y474 HydrophobicContact CB-CD1 4.29Å; L454-Y474 HydrophobicContact CB-CD2 4.39Å; L454-Y474 HydrophobicContact CB-CE1 4.48Å; L454-Y474 HydrophobicContact CB-CG 4.25Å; L454-Y474 HydrophobicContact CD1-CD1 4.2Å; L454-Y474 HydrophobicContact CD1-CE1 3.67Å; Y458-Y474 HydrophobicContact CD2-CD2 4.04Å; Y458-Y474 HydrophobicContact CD2-CE2 4.04Å; Y458-Y474 HydrophobicContact CE2-CD2 4.14Å; Y458-Y474 AromaticContact CE2-CE2 3.66Å; Y458-Y474 HydrophobicContact CE2-CE2 3.66Å; L470-Y474 WeakPolarHBondContact O-CD2 3.47Å; L470-Y474 PolarHBondContact O-N 3.12Å; A471-Y474 PolarHBondContact O-N 3.46Å; L472-Y474 VanDerWaalsContact C-N 3.3Å; L472-Y474 PolarHBondContact O-N 3.47Å; Y474-Q476 PolarHBondContact O-N 3.32Å; Y474-K477 PolarHBondContact O-N 2.83Å; Y474-A478 PolarHBondContact O-N 3.34Å
475F95.9Very high94.1Very high0 Ų064 Ų640%032%0.322CS..Hα-helixtrans-66.2-35.6175.5-67.6-49.6000113.2S452 M456 L459 A471 L472 A478 A479 Q489 L490 M493S452-F475 WeakPolarHBondContact O-CE1 3.36Å; M456-F475 HydrophobicContact CE-CE1 3.84Å; M456-F475 HydrophobicContact CE-CZ 4.34Å; M456-F475 HydrophobicContact SD-CE1 3.92Å; M456-F475 HydrophobicContact SD-CZ 3.78Å; L459-F475 HydrophobicContact CB-CE2 4.27Å; L459-F475 HydrophobicContact CB-CZ 4.48Å; L459-F475 HydrophobicContact CD2-CE2 3.99Å; L459-F475 HydrophobicContact CD2-CZ 4.13Å; A471-F475 HydrophobicContact CB-CD2 4.37Å; A471-F475 HydrophobicContact CB-CE2 4.09Å; A471-F475 WeakPolarHBondContact O-CD2 3.47Å; A471-F475 WeakPolarHBondContact O-CG 3.49Å; A471-F475 PolarHBondContact O-N 3.41Å; L472-F475 PolarHBondContact O-N 2.89Å; F475-A478 PolarHBondContact O-N 3.12Å; F475-A479 WeakPolarHBondContact O-CB 3.43Å; F475-A479 PolarHBondContact O-N 2.84Å; F475-Q489 HydrophobicContact CD1-CB 3.85Å; F475-Q489 HydrophobicContact CD1-CG 4.45Å; F475-Q489 HydrophobicContact CD2-CB 4.19Å; F475-Q489 HydrophobicContact CE1-CB 3.62Å; F475-Q489 HydrophobicContact CE1-CG 3.83Å; F475-Q489 HydrophobicContact CE2-CB 3.98Å; F475-Q489 HydrophobicContact CG-CB 4.14Å; F475-Q489 HydrophobicContact CZ-CB 3.67Å; F475-Q489 HydrophobicContact CZ-CG 3.95Å; F475-L490 HydrophobicContact CB-CB 4.35Å; F475-M493 HydrophobicContact CD2-SD 3.61Å; F475-M493 HydrophobicContact CE2-SD 3.96Å
476Q95.1Very high94Very high63 Ų6358.8 Ų58.829%0.29429%0.288SS..Hα-helixtrans-60.3-50.4173.3-78.6177.1-16.900111.3L472 Y474 A478 A479 E480 L490L472-Q476 HydrophobicContact CD2-CG 4.42Å; L472-Q476 HydrophobicContact CG-CG 4.31Å; L472-Q476 WeakPolarHBondContact O-CB 3.49Å; L472-Q476 WeakPolarHBondContact O-CG 3.36Å; L472-Q476 PolarHBondContact O-N 2.69Å; Y474-Q476 PolarHBondContact O-N 3.32Å; Q476-A478 VanDerWaalsContact C-N 3.35Å; Q476-A478 PolarHBondContact O-N 2.97Å; Q476-A479 PolarHBondContact O-N 2.78Å; Q476-E480 WeakPolarHBondContact O-CB 3.26Å; Q476-E480 VanDerWaalsContact O-CG 3.28Å; Q476-E480 WeakPolarHBondContact O-CG 3.46Å; Q476-E480 PolarHBondContact O-N 3.42Å; Q476-L490 HydrophobicContact CG-CD1 4.05Å; Q476-L490 HydrophobicContact CG-CD2 3.97Å
477K95.4Very high94Very high91 Ų9156.1 Ų56.140%0.39627%0.271SS..Hα-helixtrans-57.2-45.7175.7-70.3178168.7-162.90112.5Q451 K473 Y474 A479 E480 Q481Q451-K477 VanDerWaalsContact OE1-C 3.3Å; K473-K477 WeakPolarHBondContact O-CG 3.15Å; K473-K477 PolarHBondContact O-N 3.41Å; Y474-K477 PolarHBondContact O-N 2.83Å; K477-A479 PolarHBondContact O-N 3.48Å; K477-E480 PolarHBondContact O-N 2.93Å; K477-Q481 WeakPolarHBondContact O-CG 3.3Å; K477-Q481 PolarHBondContact O-N 3.43Å; K477-Q481 VanDerWaalsContact O-N 3.13Å
478A94.9Very high94Very high0 Ų053.5 Ų53.50%026%0.257CS..Hα-helixtrans-63.7-41.5178.100000111.8P448 Q451 Y474 F475 Q476 Q481 G482 W483P448-A478 HydrophobicContact CB-CB 4.36Å; Q451-A478 HydrophobicContact CB-CB 4.17Å; Y474-A478 PolarHBondContact O-N 3.34Å; F475-A478 PolarHBondContact O-N 3.12Å; Q476-A478 VanDerWaalsContact C-N 3.35Å; Q476-A478 PolarHBondContact O-N 2.97Å; A478-Q481 PolarHBondContact O-N 2.89Å; A478-G482 PolarHBondContact O-N 2.96Å; A478-W483 HydrophobicContact CB-CB 4.34Å; A478-W483 VanDerWaalsContact O-CB 3.31Å; A478-W483 WeakPolarHBondContact O-CB 3.44Å; A478-W483 PolarHBondContact O-N 2.84Å
479A94.4Very high94Very high11 Ų1149.5 Ų49.59%0.09124%0.242CC..Hα-helixtrans-69.6-35179.100000113.3F475 Q476 K477 Q481 G482 Q487 L490 F510F475-A479 WeakPolarHBondContact O-CB 3.43Å; F475-A479 PolarHBondContact O-N 2.84Å; Q476-A479 PolarHBondContact O-N 2.78Å; K477-A479 PolarHBondContact O-N 3.48Å; A479-Q481 VanDerWaalsContact C-N 3.34Å; A479-G482 PolarHBondContact O-N 3.15Å; A479-Q487 HydrophobicContact CB-CB 4.5Å; A479-Q487 HydrophobicContact CB-CG 3.73Å; A479-L490 HydrophobicContact CB-CD2 3.99Å; A479-F510 HydrophobicContact CB-CE1 4.44Å
480E93.9Very high94Very high160 Ų16042.2 Ų42.275%0.74821%0.208SC*.Hα-helixtrans-64.5-36.3172.7-76167.5-176.400111.9Q476 K477 G482Q476-E480 WeakPolarHBondContact O-CB 3.26Å; Q476-E480 VanDerWaalsContact O-CG 3.28Å; Q476-E480 WeakPolarHBondContact O-CG 3.46Å; Q476-E480 PolarHBondContact O-N 3.42Å; K477-E480 PolarHBondContact O-N 2.93Å; E480-G482 PolarHBondContact O-N 3.31Å
481Q93.4Very high94Very high104 Ų10439.5 Ų39.549%0.48619%0.194SC..THydrogen-bonded Turntrans-76.35.4170-64.3-171.822.100113.7G446 P448 K477 A478 A479G446-Q481 PolarHBondContact O-NE2 3.39Å; G446-Q481 PolarHBondContact O-OE1 2.88Å; P448-Q481 HydrophobicContact CB-CB 3.95Å; P448-Q481 VanDerWaalsContact CB-OE1 3.26Å; P448-Q481 HydrophobicContact CG-CB 4.36Å; P448-Q481 VanDerWaalsContact CG-OE1 3.31Å; K477-Q481 WeakPolarHBondContact O-CG 3.3Å; K477-Q481 PolarHBondContact O-N 3.43Å; K477-Q481 VanDerWaalsContact O-N 3.13Å; A478-Q481 PolarHBondContact O-N 2.89Å; A479-Q481 VanDerWaalsContact C-N 3.34Å
482G90.9Very high94Very high42 Ų4240.9 Ų40.943%0.43320%0.202SC..THydrogen-bonded Turntrans81.17.417800000115.5A478 A479 E480 V484A478-G482 PolarHBondContact O-N 2.96Å; A479-G482 PolarHBondContact O-N 3.15Å; E480-G482 PolarHBondContact O-N 3.31Å; G482-V484 PolarHBondContact O-N 3.28Å
483W92.5Very high93.9Very high63 Ų6339.6 Ų39.624%0.23920%0.195CC..  trans-73.4126.9-176.1-174.8-106.4000113.1P448 V449 A478 D485 G486 Q487P448-W483 HydrophobicContact CB-CB 3.76Å; P448-W483 HydrophobicContact CB-CG 4.29Å; P448-W483 HydrophobicContact CG-CB 4.28Å; V449-W483 HydrophobicContact CB-CZ2 4.37Å; V449-W483 HydrophobicContact CG1-CZ2 4.05Å; V449-W483 HydrophobicContact CG2-CD2 3.98Å; V449-W483 HydrophobicContact CG2-CE3 3.93Å; V449-W483 HydrophobicContact CG2-CH2 3.68Å; V449-W483 HydrophobicContact CG2-CZ2 3.71Å; V449-W483 HydrophobicContact CG2-CZ3 3.78Å; A478-W483 HydrophobicContact CB-CB 4.34Å; A478-W483 VanDerWaalsContact O-CB 3.31Å; A478-W483 WeakPolarHBondContact O-CB 3.44Å; A478-W483 PolarHBondContact O-N 2.84Å; W483-D485 WeakPolarHBondContact CZ2-OD2 3.38Å; W483-D485 PolarHBondContact NE1-OD2 3.01Å; W483-G486 PolarHBondContact O-N 3.48Å; W483-G486 VanDerWaalsContact O-N 3.15Å; W483-Q487 WeakPolarHBondContact O-CG 3.49Å; W483-Q487 PolarHBondContact O-N 2.96Å
484V92.1Very high94Very high30 Ų3034.9 Ų34.918%0.18217%0.174CC..Hα-helixtrans-64.5-46.7-166.2-168.20000112.5G482 G486 Q487 L488 A514 A517 H519G482-V484 PolarHBondContact O-N 3.28Å; V484-G486 VanDerWaalsContact C-N 3.26Å; V484-G486 PolarHBondContact O-N 2.96Å; V484-Q487 PolarHBondContact O-N 3.4Å; V484-L488 PolarHBondContact O-N 3.01Å; V484-A514 HydrophobicContact CG1-CB 4.09Å; V484-A517 HydrophobicContact CB-CB 4.31Å; V484-A517 HydrophobicContact CG1-CB 3.85Å; V484-A517 HydrophobicContact CG2-CB 3.44Å; V484-A517 VanDerWaalsContact CG2-CB 3.44Å; V484-H519 HydrophobicContact CG1-CB 3.61Å
485D89.9Confident93.9Very high20 Ų2034.8 Ų34.811%0.10717%0.174CC..Hα-helixtrans-64.4-36.1178.1-47.6-30.5000110.8W483 L488 Q489 H519W483-D485 WeakPolarHBondContact CZ2-OD2 3.38Å; W483-D485 PolarHBondContact NE1-OD2 3.01Å; D485-L488 PolarHBondContact O-N 3.44Å; D485-Q489 WeakPolarHBondContact O-CB 3.39Å; D485-Q489 VanDerWaalsContact O-CG 3.26Å; D485-Q489 WeakPolarHBondContact O-CG 3.29Å; D485-Q489 PolarHBondContact O-N 3.39Å; D485-H519 IonicContact OD1-CD2 2.67Å; D485-H519 IonicContact OD1-NE2 2.63Å
486G92.7Very high93.8Very high0 Ų039.3 Ų39.30%020%0.198CC..Hα-helixtrans-64.3-43.9178.200000111.4W483 V484 L490W483-G486 PolarHBondContact O-N 3.48Å; W483-G486 VanDerWaalsContact O-N 3.15Å; V484-G486 VanDerWaalsContact C-N 3.26Å; V484-G486 PolarHBondContact O-N 2.96Å; G486-L490 WeakPolarHBondContact O-CB 3.32Å; G486-L490 PolarHBondContact O-N 3.39Å
487Q94.9Very high93.7Very high16 Ų1637.8 Ų37.88%0.07520%0.199CC..Hα-helixtrans-62.3-46.7172.9-66.5170.70.400111.7A479 W483 V484 Q489 L490 G491 F510 L513 A514A479-Q487 HydrophobicContact CB-CB 4.5Å; A479-Q487 HydrophobicContact CB-CG 3.73Å; W483-Q487 WeakPolarHBondContact O-CG 3.49Å; W483-Q487 PolarHBondContact O-N 2.96Å; V484-Q487 PolarHBondContact O-N 3.4Å; Q487-Q489 PolarHBondContact O-N 2.96Å; Q487-L490 PolarHBondContact O-N 3.42Å; Q487-G491 PolarHBondContact O-N 3.27Å; Q487-F510 HydrophobicContact CG-CD1 4.49Å; Q487-F510 WeakPolarHBondContact O-CB 3.27Å; Q487-L513 VanDerWaalsContact OE1-CB 3.29Å; Q487-A514 HydrophobicContact CB-CB 4.15Å
488L94.1Very high93.5Very high4 Ų436.1 Ų36.12%0.02119%0.194CC..Hα-helixtrans-58.3-48.8178.117674.5000112.1V484 D485 G491 T492 F511 A514 H519 L521 A522V484-L488 PolarHBondContact O-N 3.01Å; D485-L488 PolarHBondContact O-N 3.44Å; L488-G491 PolarHBondContact O-N 3.12Å; L488-T492 WeakPolarHBondContact O-CB 3.24Å; L488-T492 PolarHBondContact O-N 3.5Å; L488-T492 PolarHBondContact O-OG1 2.97Å; L488-F511 HydrophobicContact CD1-CD1 4.15Å; L488-F511 HydrophobicContact CD1-CE1 4.12Å; L488-A514 HydrophobicContact CB-CB 4.38Å; L488-H519 VanDerWaalsContact CD2-CE1 3.45Å; L488-H519 WeakPolarHBondContact CD2-CE1 3.32Å; L488-L521 HydrophobicContact CD1-CB 3.93Å; L488-L521 HydrophobicContact CD2-CB 3.84Å; L488-L521 HydrophobicContact CD2-CD1 4.04Å; L488-A522 HydrophobicContact CD1-CB 4.05Å
489Q93.8Very high93.1Very high22 Ų2238.2 Ų38.210%0.10322%0.216CC..Hα-helixtrans-68.9-40.4-177.7-65.1-62.5-1500111.1M456 F475 D485 Q487 G491 T492 M493M456-Q489 HydrophobicContact CE-CG 3.94Å; M456-Q489 HydrophobicContact SD-CG 3.63Å; F475-Q489 HydrophobicContact CD1-CB 3.85Å; F475-Q489 HydrophobicContact CD1-CG 4.45Å; F475-Q489 HydrophobicContact CD2-CB 4.19Å; F475-Q489 HydrophobicContact CE1-CB 3.62Å; F475-Q489 HydrophobicContact CE1-CG 3.83Å; F475-Q489 HydrophobicContact CE2-CB 3.98Å; F475-Q489 HydrophobicContact CG-CB 4.14Å; F475-Q489 HydrophobicContact CZ-CB 3.67Å; F475-Q489 HydrophobicContact CZ-CG 3.95Å; D485-Q489 WeakPolarHBondContact O-CB 3.39Å; D485-Q489 VanDerWaalsContact O-CG 3.26Å; D485-Q489 WeakPolarHBondContact O-CG 3.29Å; D485-Q489 PolarHBondContact O-N 3.39Å; Q487-Q489 PolarHBondContact O-N 2.96Å; Q489-G491 VanDerWaalsContact C-N 3.34Å; Q489-G491 PolarHBondContact O-N 2.8Å; Q489-T492 CarbonylContact O-C 3.59Å; Q489-T492 WeakPolarHBondContact O-CB 3.32Å; Q489-T492 PolarHBondContact O-N 3Å; Q489-T492 VanDerWaalsContact O-N 3.12Å; Q489-M493 WeakPolarHBondContact O-CG 3.4Å; Q489-M493 PolarHBondContact O-N 3.26Å
490L94.1Very high93Very high2 Ų239.1 Ų39.11%0.0122%0.22CC..Hα-helixtrans-61.4-41.9173.7-172.659000111.9F475 Q476 A479 G486 Q487 T492 M493 Y494 F510F475-L490 HydrophobicContact CB-CB 4.35Å; Q476-L490 HydrophobicContact CG-CD1 4.05Å; Q476-L490 HydrophobicContact CG-CD2 3.97Å; A479-L490 HydrophobicContact CB-CD2 3.99Å; G486-L490 WeakPolarHBondContact O-CB 3.32Å; G486-L490 PolarHBondContact O-N 3.39Å; Q487-L490 PolarHBondContact O-N 3.42Å; L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 3.16Å; L490-M493 PolarHBondContact O-N 2.85Å; L490-Y494 HydrophobicContact CD1-CD2 4.17Å; L490-Y494 HydrophobicContact CD1-CE2 3.65Å; L490-Y494 HydrophobicContact CD2-CE2 4.48Å; L490-Y494 HydrophobicContact CG-CD2 4.11Å; L490-Y494 HydrophobicContact CG-CE2 3.79Å; L490-Y494 WeakPolarHBondContact O-CD2 3.4Å; L490-Y494 PolarHBondContact O-N 3.49Å; L490-Y494 VanDerWaalsContact O-N 3.08Å; L490-F510 HydrophobicContact CD2-CD1 4.14Å; L490-F510 HydrophobicContact CD2-CD2 4.19Å; L490-F510 HydrophobicContact CD2-CE1 3.68Å; L490-F510 HydrophobicContact CD2-CE2 3.76Å; L490-F510 HydrophobicContact CD2-CG 4.38Å; L490-F510 HydrophobicContact CD2-CZ 3.48Å; L490-F510 VanDerWaalsContact CD2-CZ 3.48Å; L490-F510 HydrophobicContact CG-CD2 4.1Å; L490-F510 HydrophobicContact CG-CE2 3.99Å; L490-F510 HydrophobicContact CG-CG 4.46Å; L490-F510 HydrophobicContact CG-CZ 4.24Å
491G94.8Very high93Very high0 Ų040.9 Ų40.90%023%0.225CC..Hα-helixtrans-60.6-41.1171.700000112.7Q487 L488 Q489 Y494 Y495 A507 F511Q487-G491 PolarHBondContact O-N 3.27Å; L488-G491 PolarHBondContact O-N 3.12Å; Q489-G491 VanDerWaalsContact C-N 3.34Å; Q489-G491 PolarHBondContact O-N 2.8Å; G491-Y494 PolarHBondContact O-N 3.27Å; G491-Y495 VanDerWaalsContact O-CB 3.3Å; G491-Y495 WeakPolarHBondContact O-CB 3.37Å; G491-Y495 PolarHBondContact O-N 2.96Å; G491-A507 WeakPolarHBondContact O-CB 3.36Å; G491-F511 VanDerWaalsContact C-CZ 3.42Å
492T94Very high93.1Very high29 Ų2943.1 Ų43.118%0.17823%0.229CC..Hα-helixtrans-66.1-40.2177.3-560000112L488 Q489 L490 Y495 N496L488-T492 WeakPolarHBondContact O-CB 3.24Å; L488-T492 PolarHBondContact O-N 3.5Å; L488-T492 PolarHBondContact O-OG1 2.97Å; Q489-T492 CarbonylContact O-C 3.59Å; Q489-T492 WeakPolarHBondContact O-CB 3.32Å; Q489-T492 PolarHBondContact O-N 3Å; Q489-T492 VanDerWaalsContact O-N 3.12Å; L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 3.16Å; T492-Y495 PolarHBondContact O-N 2.91Å; T492-N496 WeakPolarHBondContact O-CB 3.35Å; T492-N496 PolarHBondContact O-N 3.05Å
493M94.7Very high93.3Very high2 Ų243.8 Ų43.81%0.0122%0.223CC..Hα-helixtrans-61.3-46.3173.5-71.1-179.577.400111.3L472 F475 Q489 L490 G497 I498 V500L472-M493 HydrophobicContact CB-CE 3.87Å; F475-M493 HydrophobicContact CD2-SD 3.61Å; F475-M493 HydrophobicContact CE2-SD 3.96Å; Q489-M493 WeakPolarHBondContact O-CG 3.4Å; Q489-M493 PolarHBondContact O-N 3.26Å; L490-M493 PolarHBondContact O-N 2.85Å; M493-G497 CarbonylContact O-C 3.2Å; M493-G497 VanDerWaalsContact O-CA 3.29Å; M493-G497 WeakPolarHBondContact O-CA 3.34Å; M493-G497 PolarHBondContact O-N 3.07Å; M493-I498 WeakPolarHBondContact CE-O 3.41Å; M493-I498 HydrophobicContact CG-CB 4.49Å; M493-I498 PolarHBondContact O-N 2.87Å; M493-V500 HydrophobicContact CB-CG2 4.27Å; M493-V500 VanDerWaalsContact O-CG2 3.32Å; M493-V500 WeakPolarHBondContact O-CG2 3.07Å
494Y95.8Very high93.4Very high24 Ų2443.5 Ų43.59%0.09422%0.222CC..Hα-helixtrans-68.1-33.3176.3-76.6-59.1000114L490 G491 V500 R502 D503 Q506 F510L490-Y494 HydrophobicContact CD1-CD2 4.17Å; L490-Y494 HydrophobicContact CD1-CE2 3.65Å; L490-Y494 HydrophobicContact CD2-CE2 4.48Å; L490-Y494 HydrophobicContact CG-CD2 4.11Å; L490-Y494 HydrophobicContact CG-CE2 3.79Å; L490-Y494 WeakPolarHBondContact O-CD2 3.4Å; L490-Y494 PolarHBondContact O-N 3.49Å; L490-Y494 VanDerWaalsContact O-N 3.08Å; G491-Y494 PolarHBondContact O-N 3.27Å; Y494-V500 HydrophobicContact CD1-CB 4.12Å; Y494-V500 HydrophobicContact CD1-CG2 3.65Å; Y494-V500 HydrophobicContact CE1-CB 4.02Å; Y494-V500 HydrophobicContact CE1-CG1 4.02Å; Y494-V500 HydrophobicContact CE1-CG2 4.01Å; Y494-V500 HydrophobicContact CG-CG2 4.29Å; Y494-R502 WeakPolarHBondContact O-CA 3.33Å; Y494-R502 WeakPolarHBondContact O-CG 3.25Å; Y494-D503 HydrophobicContact CD1-CB 4.22Å; Y494-D503 PolarHBondContact O-N 3.47Å; Y494-Q506 HydrophobicContact CD1-CB 4.28Å; Y494-Q506 HydrophobicContact CD2-CB 3.91Å; Y494-Q506 HydrophobicContact CE2-CB 4.22Å; Y494-Q506 HydrophobicContact CG-CB 3.95Å; Y494-Q506 VanDerWaalsContact CZ-OE1 3.22Å; Y494-Q506 PolarHBondContact OH-OE1 3.04Å; Y494-F510 HydrophobicContact CD2-CD2 4.03Å; Y494-F510 HydrophobicContact CD2-CE2 4.03Å; Y494-F510 HydrophobicContact CE2-CD2 4.2Å; Y494-F510 AromaticContact CE2-CE2 3.72Å; Y494-F510 HydrophobicContact CE2-CE2 3.72Å
495Y95Very high93.5Very high48 Ų4850.3 Ų50.319%0.18825%0.249CC..Hα-helixtrans-69.5-45.4178.4-177.6-99.3000112.1G491 T492 R502 Y504 F511 M529G491-Y495 VanDerWaalsContact O-CB 3.3Å; G491-Y495 WeakPolarHBondContact O-CB 3.37Å; G491-Y495 PolarHBondContact O-N 2.96Å; T492-Y495 PolarHBondContact O-N 2.91Å; Y495-R502 WeakPolarHBondContact O-CD 3.27Å; Y495-R502 WeakPolarHBondContact O-CG 3.31Å; Y495-Y504 AromaticContact CD2-CD1 3.72Å; Y495-Y504 HydrophobicContact CD2-CD1 3.72Å; Y495-Y504 AromaticContact CD2-CE1 3.75Å; Y495-Y504 HydrophobicContact CD2-CE1 3.75Å; Y495-Y504 HydrophobicContact CE2-CD1 4.01Å; Y495-Y504 AromaticContact CE2-CE1 3.77Å; Y495-Y504 HydrophobicContact CE2-CE1 3.77Å; Y495-Y504 HydrophobicContact CG-CE1 4.46Å; Y495-F511 HydrophobicContact CD2-CE2 4.28Å; Y495-F511 HydrophobicContact CG-CE2 4.26Å; Y495-M529 HydrophobicContact CD2-CE 4.48Å; Y495-M529 HydrophobicContact CD2-CG 4.17Å; Y495-M529 HydrophobicContact CD2-SD 4.02Å; Y495-M529 HydrophobicContact CE2-CG 3.68Å; Y495-M529 HydrophobicContact CE2-SD 4.16Å
496N93.3Very high93.7Very high94 Ų9452.7 Ų52.750%0.50326%0.26SS..Hα-helixtrans-86.2-24.4-179.1-70.3-32.7000113.4T492 I498T492-N496 WeakPolarHBondContact O-CB 3.35Å; T492-N496 PolarHBondContact O-N 3.05Å; N496-I498 HydrophobicContact CB-CD1 3.77Å; N496-I498 HydrophobicContact CB-CG1 3.8Å
497G92.6Very high93.8Very high31 Ų3152.7 Ų52.732%0.3226%0.26SS..THydrogen-bonded Turntrans81.133.9-171.900000113.7M493 V500M493-G497 CarbonylContact O-C 3.2Å; M493-G497 VanDerWaalsContact O-CA 3.29Å; M493-G497 WeakPolarHBondContact O-CA 3.34Å; M493-G497 PolarHBondContact O-N 3.07Å; G497-V500 CarbonylContact C-O 3.35Å; G497-V500 VanDerWaalsContact C-O 3.23Å; G497-V500 VanDerWaalsContact CA-O 3.23Å; G497-V500 WeakPolarHBondContact CA-O 3.26Å
498I91Very high93.8Very high57 Ų5753.8 Ų53.829%0.29227%0.266SS..SBendtrans-87.5114.1-179.2-60.1166000108.5L459 Y468 M493 N496 V500L459-I498 HydrophobicContact CD1-CG2 3.92Å; Y468-I498 HydrophobicContact CD1-CG2 3.62Å; Y468-I498 HydrophobicContact CE1-CG2 3.68Å; Y468-I498 HydrophobicContact CG-CG2 4.19Å; M493-I498 WeakPolarHBondContact CE-O 3.41Å; M493-I498 HydrophobicContact CG-CB 4.49Å; M493-I498 PolarHBondContact O-N 2.87Å; N496-I498 HydrophobicContact CB-CD1 3.77Å; N496-I498 HydrophobicContact CB-CG1 3.8Å; I498-V500 PolarHBondContact O-N 2.99Å
499G87.1Confident93.9Very high44 Ų4459.6 Ų59.645%0.45429%0.291SS..SBendtrans69.5-5.3-176.400000115.5
500V93.6Very high94Very high29 Ų2960 Ų6018%0.17629%0.292CS..SBendtrans-138.1157.2-178.8-70.20000111.4L472 M493 Y494 G497 I498 R502L472-V500 HydrophobicContact CD1-CG1 3.07Å; M493-V500 HydrophobicContact CB-CG2 4.27Å; M493-V500 VanDerWaalsContact O-CG2 3.32Å; M493-V500 WeakPolarHBondContact O-CG2 3.07Å; Y494-V500 HydrophobicContact CD1-CB 4.12Å; Y494-V500 HydrophobicContact CD1-CG2 3.65Å; Y494-V500 HydrophobicContact CE1-CB 4.02Å; Y494-V500 HydrophobicContact CE1-CG1 4.02Å; Y494-V500 HydrophobicContact CE1-CG2 4.01Å; Y494-V500 HydrophobicContact CG-CG2 4.29Å; G497-V500 CarbonylContact C-O 3.35Å; G497-V500 VanDerWaalsContact C-O 3.23Å; G497-V500 VanDerWaalsContact CA-O 3.23Å; G497-V500 WeakPolarHBondContact CA-O 3.26Å; I498-V500 PolarHBondContact O-N 2.99Å; V500-R502 PolarHBondContact O-N 3.34Å
501K93.4Very high94.1Very high198 Ų19859.9 Ų59.986%0.86129%0.292SS*.  trans-63.3129.4164.1-172.6176.3-179179.70109.2D503K501-D503 PolarHBondContact O-N 3.5Å
502R94.5Very high94.1Very high151 Ų15162.7 Ų62.757%0.5731%0.307SS*.  trans-55.8123.3178.8-168.4177.871.5179.35.2111.5Y494 Y495 V500 Y504Y494-R502 WeakPolarHBondContact O-CA 3.33Å; Y494-R502 WeakPolarHBondContact O-CG 3.25Å; Y495-R502 WeakPolarHBondContact O-CD 3.27Å; Y495-R502 WeakPolarHBondContact O-CG 3.31Å; V500-R502 PolarHBondContact O-N 3.34Å; R502-Y504 WeakPolarHBondContact CD-OH 3.16Å; R502-Y504 HydrophobicContact CG-CE1 4.27Å; R502-Y504 PolarHBondContact NE-OH 3.45Å; R502-Y504 PolarHBondContact NH1-OH 3.44Å; R502-Y504 VanDerWaalsContact NH1-OH 3.1Å
503D95.3Very high94.1Very high55 Ų5564.2 Ų64.229%0.29431%0.314SS..  trans-140.799.4179.6-175-20.1000110.3Y494 K501 K505 Q506 A507Y494-D503 HydrophobicContact CD1-CB 4.22Å; Y494-D503 PolarHBondContact O-N 3.47Å; K501-D503 PolarHBondContact O-N 3.5Å; D503-K505 VanDerWaalsContact C-N 3.26Å; D503-K505 PolarHBondContact O-N 2.65Å; D503-K505 WeakPolarHBondContact OD1-CA 3.24Å; D503-K505 WeakPolarHBondContact OD1-CB 3.39Å; D503-K505 PolarHBondContact OD1-N 3.04Å; D503-Q506 HydrophobicContact CB-CB 4.22Å; D503-Q506 HydrophobicContact CB-CG 4.44Å; D503-Q506 PolarHBondContact O-N 2.92Å; D503-Q506 PolarHBondContact OD1-N 2.99Å; D503-Q506 VanDerWaalsContact OD1-N 3.11Å; D503-Q506 WeakPolarHBondContact OD2-CG 3.4Å; D503-Q506 PolarHBondContact OD2-NE2 3.45Å; D503-A507 PolarHBondContact O-N 3.38Å
504Y95.2Very high94Very high57 Ų5764.1 Ų64.122%0.22431%0.313CS..Hα-helixtrans-67-23.6-179.7-62.1-60.2000114Y495 R502 L508Y495-Y504 AromaticContact CD2-CD1 3.72Å; Y495-Y504 HydrophobicContact CD2-CD1 3.72Å; Y495-Y504 AromaticContact CD2-CE1 3.75Å; Y495-Y504 HydrophobicContact CD2-CE1 3.75Å; Y495-Y504 HydrophobicContact CE2-CD1 4.01Å; Y495-Y504 AromaticContact CE2-CE1 3.77Å; Y495-Y504 HydrophobicContact CE2-CE1 3.77Å; Y495-Y504 HydrophobicContact CG-CE1 4.46Å; R502-Y504 WeakPolarHBondContact CD-OH 3.16Å; R502-Y504 HydrophobicContact CG-CE1 4.27Å; R502-Y504 PolarHBondContact NE-OH 3.45Å; R502-Y504 PolarHBondContact NH1-OH 3.44Å; R502-Y504 VanDerWaalsContact NH1-OH 3.1Å; Y504-L508 WeakPolarHBondContact O-CB 3.44Å; Y504-L508 PolarHBondContact O-N 3.36Å
505K94.3Very high93.9Very high173 Ų17363.8 Ų63.875%0.75231%0.314SS*.Hα-helixtrans-74.2-39.2178.8-173.4179.7-179.7-178.20110.4D503 K509D503-K505 VanDerWaalsContact C-N 3.26Å; D503-K505 PolarHBondContact O-N 2.65Å; D503-K505 WeakPolarHBondContact OD1-CA 3.24Å; D503-K505 WeakPolarHBondContact OD1-CB 3.39Å; D503-K505 PolarHBondContact OD1-N 3.04Å; K505-K509 PolarHBondContact O-N 3.27Å; K505-K509 VanDerWaalsContact O-N 3.16Å
506Q93.5Very high93.7Very high70 Ų7068.9 Ų68.933%0.32734%0.34SS..Hα-helixtrans-69.4-43.2171.4-71.7-172.77100111.7Y494 D503 L508 K509 F510Y494-Q506 HydrophobicContact CD1-CB 4.28Å; Y494-Q506 HydrophobicContact CD2-CB 3.91Å; Y494-Q506 HydrophobicContact CE2-CB 4.22Å; Y494-Q506 HydrophobicContact CG-CB 3.95Å; Y494-Q506 VanDerWaalsContact CZ-OE1 3.22Å; Y494-Q506 PolarHBondContact OH-OE1 3.04Å; D503-Q506 HydrophobicContact CB-CB 4.22Å; D503-Q506 HydrophobicContact CB-CG 4.44Å; D503-Q506 PolarHBondContact O-N 2.92Å; D503-Q506 PolarHBondContact OD1-N 2.99Å; D503-Q506 VanDerWaalsContact OD1-N 3.11Å; D503-Q506 WeakPolarHBondContact OD2-CG 3.4Å; D503-Q506 PolarHBondContact OD2-NE2 3.45Å; Q506-L508 VanDerWaalsContact C-N 3.35Å; Q506-L508 PolarHBondContact O-N 2.88Å; Q506-K509 WeakPolarHBondContact O-CB 3.42Å; Q506-K509 PolarHBondContact O-N 3.43Å; Q506-K509 VanDerWaalsContact O-N 3.13Å; Q506-F510 HydrophobicContact CB-CE2 4.48Å; Q506-F510 WeakPolarHBondContact O-CD2 3.46Å; Q506-F510 PolarHBondContact O-N 2.89Å; Q506-F510 VanDerWaalsContact O-N 3.08Å
507A95.6Very high93.5Very high0 Ų067.3 Ų67.30%034%0.34CS..Hα-helixtrans-54-50.1174.700000112.1G491 D503 K509 F510 F511G491-A507 WeakPolarHBondContact O-CB 3.36Å; D503-A507 PolarHBondContact O-N 3.38Å; A507-K509 PolarHBondContact O-N 2.94Å; A507-F510 PolarHBondContact O-N 3.36Å; A507-F511 HydrophobicContact CB-CD2 4.39Å; A507-F511 HydrophobicContact CB-CE2 4.09Å; A507-F511 WeakPolarHBondContact O-CB 3.35Å; A507-F511 VanDerWaalsContact O-CD2 3.27Å; A507-F511 WeakPolarHBondContact O-CD2 3.34Å; A507-F511 VanDerWaalsContact O-CG 3.29Å; A507-F511 WeakPolarHBondContact O-CG 3.46Å; A507-F511 PolarHBondContact O-N 3.17Å
508L95.4Very high93.2Very high39 Ų3967.2 Ų67.220%0.20434%0.338CS..Hα-helixtrans-58.9-42.5175.9176.3142.9000112.8Y504 Q506 F510 F511 N512 M529 V536Y504-L508 WeakPolarHBondContact O-CB 3.44Å; Y504-L508 PolarHBondContact O-N 3.36Å; Q506-L508 VanDerWaalsContact C-N 3.35Å; Q506-L508 PolarHBondContact O-N 2.88Å; L508-F510 VanDerWaalsContact C-N 3.34Å; L508-F510 PolarHBondContact O-N 3.34Å; L508-F511 PolarHBondContact O-N 2.91Å; L508-N512 WeakPolarHBondContact CD2-ND2 3.4Å; L508-N512 VanDerWaalsContact O-CB 3.31Å; L508-N512 WeakPolarHBondContact O-CB 3.37Å; L508-N512 VanDerWaalsContact O-CG 3.32Å; L508-N512 PolarHBondContact O-N 3.02Å; L508-M529 HydrophobicContact CB-CE 3.94Å; L508-V536 HydrophobicContact CD1-CG1 3.07Å
509K94.9Very high93.1Very high127 Ų12766.1 Ų66.155%0.55233%0.332SS*.Hα-helixtrans-57.2-49.7178-176.7-169.2173.9-169.60110.6K505 Q506 A507 N512 L513K505-K509 PolarHBondContact O-N 3.27Å; K505-K509 VanDerWaalsContact O-N 3.16Å; Q506-K509 WeakPolarHBondContact O-CB 3.42Å; Q506-K509 PolarHBondContact O-N 3.43Å; Q506-K509 VanDerWaalsContact O-N 3.13Å; A507-K509 PolarHBondContact O-N 2.94Å; K509-N512 PolarHBondContact O-N 3.46Å; K509-L513 HydrophobicContact CG-CD1 4.46Å; K509-L513 WeakPolarHBondContact O-CG 3.41Å; K509-L513 PolarHBondContact O-N 2.91Å; K509-L513 VanDerWaalsContact O-N 3.16Å
510F95.7Very high93.3Very high30 Ų3065.8 Ų65.813%0.13232%0.32CS..Hα-helixtrans-72.8-37.1-177.3-69.6-65.1000113.1A479 Q487 L490 Y494 Q506 A507 L508 L513 A514A479-F510 HydrophobicContact CB-CE1 4.44Å; Q487-F510 HydrophobicContact CG-CD1 4.49Å; Q487-F510 WeakPolarHBondContact O-CB 3.27Å; L490-F510 HydrophobicContact CD2-CD1 4.14Å; L490-F510 HydrophobicContact CD2-CD2 4.19Å; L490-F510 HydrophobicContact CD2-CE1 3.68Å; L490-F510 HydrophobicContact CD2-CE2 3.76Å; L490-F510 HydrophobicContact CD2-CG 4.38Å; L490-F510 HydrophobicContact CD2-CZ 3.48Å; L490-F510 VanDerWaalsContact CD2-CZ 3.48Å; L490-F510 HydrophobicContact CG-CD2 4.1Å; L490-F510 HydrophobicContact CG-CE2 3.99Å; L490-F510 HydrophobicContact CG-CG 4.46Å; L490-F510 HydrophobicContact CG-CZ 4.24Å; Y494-F510 HydrophobicContact CD2-CD2 4.03Å; Y494-F510 HydrophobicContact CD2-CE2 4.03Å; Y494-F510 HydrophobicContact CE2-CD2 4.2Å; Y494-F510 AromaticContact CE2-CE2 3.72Å; Y494-F510 HydrophobicContact CE2-CE2 3.72Å; Q506-F510 HydrophobicContact CB-CE2 4.48Å; Q506-F510 WeakPolarHBondContact O-CD2 3.46Å; Q506-F510 PolarHBondContact O-N 2.89Å; Q506-F510 VanDerWaalsContact O-N 3.08Å; A507-F510 PolarHBondContact O-N 3.36Å; L508-F510 VanDerWaalsContact C-N 3.34Å; L508-F510 PolarHBondContact O-N 3.34Å; F510-L513 HydrophobicContact CD1-CD1 4.31Å; F510-L513 PolarHBondContact O-N 3.39Å; F510-A514 WeakPolarHBondContact O-CB 3.43Å; F510-A514 PolarHBondContact O-N 2.9Å
511F95.7Very high93.2Very high0 Ų066.4 Ų66.40%032%0.322CS..Hα-helixtrans-65.8-37.4173.2-65-36.3000112.3L488 G491 Y495 A507 L508 A514 S515 N525 L526 M529L488-F511 HydrophobicContact CD1-CD1 4.15Å; L488-F511 HydrophobicContact CD1-CE1 4.12Å; G491-F511 VanDerWaalsContact C-CZ 3.42Å; Y495-F511 HydrophobicContact CD2-CE2 4.28Å; Y495-F511 HydrophobicContact CG-CE2 4.26Å; A507-F511 HydrophobicContact CB-CD2 4.39Å; A507-F511 HydrophobicContact CB-CE2 4.09Å; A507-F511 WeakPolarHBondContact O-CB 3.35Å; A507-F511 VanDerWaalsContact O-CD2 3.27Å; A507-F511 WeakPolarHBondContact O-CD2 3.34Å; A507-F511 VanDerWaalsContact O-CG 3.29Å; A507-F511 WeakPolarHBondContact O-CG 3.46Å; A507-F511 PolarHBondContact O-N 3.17Å; L508-F511 PolarHBondContact O-N 2.91Å; F511-A514 PolarHBondContact O-N 3.46Å; F511-S515 VanDerWaalsContact O-CB 3.28Å; F511-S515 WeakPolarHBondContact O-CB 3.38Å; F511-S515 PolarHBondContact O-N 3.01Å; F511-S515 PolarHBondContact O-OG 3.22Å; F511-N525 HydrophobicContact CD1-CB 4.22Å; F511-N525 HydrophobicContact CD2-CB 3.95Å; F511-N525 HydrophobicContact CE1-CB 3.99Å; F511-N525 VanDerWaalsContact CE1-ND2 3.35Å; F511-N525 WeakPolarHBondContact CE1-ND2 3.42Å; F511-N525 HydrophobicContact CE2-CB 3.71Å; F511-N525 HydrophobicContact CG-CB 4.21Å; F511-N525 HydrophobicContact CZ-CB 3.72Å; F511-N525 WeakPolarHBondContact CZ-ND2 3.35Å; F511-L526 HydrophobicContact CB-CD1 4.39Å; F511-L526 HydrophobicContact CB-CD2 3.59Å; F511-L526 HydrophobicContact CB-CG 3.76Å; F511-M529 HydrophobicContact CD2-SD 3.7Å; F511-M529 HydrophobicContact CE2-SD 3.9Å
512N94.7Very high93.2Very high59 Ų5957 Ų5732%0.31628%0.281SS..Hα-helixtrans-60.8-47.3173.3-80.8-10.4000111.4L508 K509 A514 S515 Q516 L526L508-N512 WeakPolarHBondContact CD2-ND2 3.4Å; L508-N512 VanDerWaalsContact O-CB 3.31Å; L508-N512 WeakPolarHBondContact O-CB 3.37Å; L508-N512 VanDerWaalsContact O-CG 3.32Å; L508-N512 PolarHBondContact O-N 3.02Å; K509-N512 PolarHBondContact O-N 3.46Å; N512-A514 PolarHBondContact O-N 3.31Å; N512-S515 WeakPolarHBondContact CA-OG 3.28Å; N512-S515 PolarHBondContact O-N 3Å; N512-S515 PolarHBondContact O-OG 2.96Å; N512-Q516 WeakPolarHBondContact O-CG 3.48Å; N512-Q516 PolarHBondContact O-N 3.46Å; N512-L526 WeakPolarHBondContact OD1-CD1 3.05Å; N512-L526 VanDerWaalsContact OD1-CD2 3.27Å; N512-L526 WeakPolarHBondContact OD1-CD2 3.26Å
513L94.8Very high93.2Very high61 Ų6150.9 Ų50.932%0.31926%0.258SS..Hα-helixtrans-58.7-48.1175.8-67.2168.2000111.7Q487 K509 F510 S515 Q516 A517Q487-L513 VanDerWaalsContact OE1-CB 3.29Å; K509-L513 HydrophobicContact CG-CD1 4.46Å; K509-L513 WeakPolarHBondContact O-CG 3.41Å; K509-L513 PolarHBondContact O-N 2.91Å; K509-L513 VanDerWaalsContact O-N 3.16Å; F510-L513 HydrophobicContact CD1-CD1 4.31Å; F510-L513 PolarHBondContact O-N 3.39Å; L513-S515 VanDerWaalsContact C-N 3.28Å; L513-S515 PolarHBondContact O-N 3.31Å; L513-Q516 WeakPolarHBondContact O-CB 3.23Å; L513-Q516 PolarHBondContact O-N 2.68Å; L513-A517 PolarHBondContact O-N 2.9Å
514A93.4Very high93.3Very high0 Ų050.5 Ų50.50%025%0.253CS..Hα-helixtrans-65.8-29.6178.300000113.2V484 Q487 L488 F510 F511 N512 G518 H519 A522V484-A514 HydrophobicContact CG1-CB 4.09Å; Q487-A514 HydrophobicContact CB-CB 4.15Å; L488-A514 HydrophobicContact CB-CB 4.38Å; F510-A514 WeakPolarHBondContact O-CB 3.43Å; F510-A514 PolarHBondContact O-N 2.9Å; F511-A514 PolarHBondContact O-N 3.46Å; N512-A514 PolarHBondContact O-N 3.31Å; A514-G518 PolarHBondContact O-N 3.3Å; A514-H519 WeakPolarHBondContact O-CB 3.5Å; A514-H519 PolarHBondContact O-N 2.98Å; A514-H519 VanDerWaalsContact O-N 3.08Å; A514-A522 HydrophobicContact CB-CB 3.62Å
515S92.3Very high93.3Very high16 Ų1649.3 Ų49.311%0.11225%0.25CS..Hα-helixtrans-74-33.3174.677.60000113.1F511 N512 L513 A517 G518 F523 L526F511-S515 VanDerWaalsContact O-CB 3.28Å; F511-S515 WeakPolarHBondContact O-CB 3.38Å; F511-S515 PolarHBondContact O-N 3.01Å; F511-S515 PolarHBondContact O-OG 3.22Å; N512-S515 WeakPolarHBondContact CA-OG 3.28Å; N512-S515 PolarHBondContact O-N 3Å; N512-S515 PolarHBondContact O-OG 2.96Å; L513-S515 VanDerWaalsContact C-N 3.28Å; L513-S515 PolarHBondContact O-N 3.31Å; S515-A517 VanDerWaalsContact C-N 3.26Å; S515-A517 PolarHBondContact O-N 2.96Å; S515-G518 WeakPolarHBondContact O-CA 3.29Å; S515-G518 PolarHBondContact O-N 3.11Å; S515-F523 WeakPolarHBondContact O-CZ 3.27Å; S515-L526 WeakPolarHBondContact OG-CD1 3.46Å
516Q92.2Very high93.3Very high156 Ų15641.2 Ų41.273%0.72922%0.216SC*.Hα-helixtrans-64.6-34173.2-73170.5-9.200111.2N512 L513 G518N512-Q516 WeakPolarHBondContact O-CG 3.48Å; N512-Q516 PolarHBondContact O-N 3.46Å; L513-Q516 WeakPolarHBondContact O-CB 3.23Å; L513-Q516 PolarHBondContact O-N 2.68Å; Q516-G518 PolarHBondContact O-N 3.4Å
517A87.8Confident93.5Very high61 Ų6137.9 Ų37.950%0.50420%0.2SC..THydrogen-bonded Turntrans-79.96169.500000114.3V484 L513 S515V484-A517 HydrophobicContact CB-CB 4.31Å; V484-A517 HydrophobicContact CG1-CB 3.85Å; V484-A517 HydrophobicContact CG2-CB 3.44Å; V484-A517 VanDerWaalsContact CG2-CB 3.44Å; L513-A517 PolarHBondContact O-N 2.9Å; S515-A517 VanDerWaalsContact C-N 3.26Å; S515-A517 PolarHBondContact O-N 2.96Å
518G86.6Confident93.4Very high28 Ų2840.3 Ų40.329%0.28921%0.211SC..THydrogen-bonded Turntrans86.58169.600000116.9A514 S515 Q516 I520A514-G518 PolarHBondContact O-N 3.3Å; S515-G518 WeakPolarHBondContact O-CA 3.29Å; S515-G518 PolarHBondContact O-N 3.11Å; Q516-G518 PolarHBondContact O-N 3.4Å; G518-I520 PolarHBondContact O-N 3.43Å
519H88.9Confident93.5Very high35 Ų3538.4 Ų38.416%0.16220%0.201CC..  trans-69.8126.6-172.3-164.4-63.5000113.5V484 D485 L488 A514 L521 A522 F523V484-H519 HydrophobicContact CG1-CB 3.61Å; D485-H519 IonicContact OD1-CD2 2.67Å; D485-H519 IonicContact OD1-NE2 2.63Å; L488-H519 VanDerWaalsContact CD2-CE1 3.45Å; L488-H519 WeakPolarHBondContact CD2-CE1 3.32Å; A514-H519 WeakPolarHBondContact O-CB 3.5Å; A514-H519 PolarHBondContact O-N 2.98Å; A514-H519 VanDerWaalsContact O-N 3.08Å; H519-L521 PolarHBondContact ND1-N 2.91Å; H519-L521 VanDerWaalsContact ND1-N 3.13Å; H519-L521 PolarHBondContact O-N 2.9Å; H519-A522 HydrophobicContact CB-CB 4.08Å; H519-A522 WeakPolarHBondContact O-CB 3.38Å; H519-A522 PolarHBondContact O-N 3.45Å; H519-F523 WeakPolarHBondContact O-CD2 3.34Å; H519-F523 PolarHBondContact O-N 2.94Å
520I91.5Very high93.5Very high37 Ų3734.2 Ų34.219%0.1918%0.184CC..Hα-helixtrans-57.7-52.7-174.1-39.8-169.2000112.1V326 V330 G518 A522 F523 Y524 V550 R553V326-I520 HydrophobicContact CG1-CG2 4.13Å; V330-I520 HydrophobicContact CG2-CB 4.15Å; V330-I520 HydrophobicContact CG2-CD1 4.16Å; V330-I520 HydrophobicContact CG2-CG2 4.26Å; G518-I520 PolarHBondContact O-N 3.43Å; I520-A522 PolarHBondContact O-N 2.88Å; I520-F523 PolarHBondContact O-N 3.48Å; I520-Y524 PolarHBondContact O-N 3.28Å; I520-V550 HydrophobicContact CG2-CB 4.43Å; I520-V550 HydrophobicContact CG2-CG1 3.94Å; I520-V550 HydrophobicContact CG2-CG2 4.34Å; I520-R553 HydrophobicContact CD1-CB 3.85Å; I520-R553 HydrophobicContact CD1-CG 4.45Å
521L92.3Very high93.5Very high42 Ų4233.2 Ų33.222%0.2218%0.181CC..Hα-helixtrans-63.4-23.5178.9-59.6178.9000113.7A327 V330 L488 H519 N525A327-L521 HydrophobicContact CB-CD2 3.8Å; A327-L521 WeakPolarHBondContact O-CD2 3.1Å; V330-L521 HydrophobicContact CB-CD1 4.47Å; V330-L521 HydrophobicContact CB-CD2 4.2Å; V330-L521 HydrophobicContact CB-CG 4.3Å; V330-L521 HydrophobicContact CG1-CD1 4.24Å; V330-L521 HydrophobicContact CG1-CG 4.21Å; V330-L521 HydrophobicContact CG2-CD2 4.16Å; V330-L521 HydrophobicContact CG2-CG 4.43Å; L488-L521 HydrophobicContact CD1-CB 3.93Å; L488-L521 HydrophobicContact CD2-CB 3.84Å; L488-L521 HydrophobicContact CD2-CD1 4.04Å; H519-L521 PolarHBondContact ND1-N 2.91Å; H519-L521 VanDerWaalsContact ND1-N 3.13Å; H519-L521 PolarHBondContact O-N 2.9Å; L521-N525 WeakPolarHBondContact O-CB 3.49Å; L521-N525 VanDerWaalsContact O-CG 3.3Å; L521-N525 PolarHBondContact O-N 2.95Å; L521-N525 PolarHBondContact O-ND2 3.16Å
522A93.5Very high93.5Very high0 Ų036.4 Ų36.40%020%0.2CC..Hα-helixtrans-73-46.5175.400000110.5L488 A514 H519 I520 Y524 N525 L526L488-A522 HydrophobicContact CD1-CB 4.05Å; A514-A522 HydrophobicContact CB-CB 3.62Å; H519-A522 HydrophobicContact CB-CB 4.08Å; H519-A522 WeakPolarHBondContact O-CB 3.38Å; H519-A522 PolarHBondContact O-N 3.45Å; I520-A522 PolarHBondContact O-N 2.88Å; A522-Y524 VanDerWaalsContact C-N 3.3Å; A522-Y524 PolarHBondContact O-N 2.95Å; A522-N525 PolarHBondContact O-N 3.19Å; A522-L526 WeakPolarHBondContact O-CB 3.43Å; A522-L526 WeakPolarHBondContact O-CG 3.34Å; A522-L526 PolarHBondContact O-N 2.61Å
523F94.8Very high93.4Very high22 Ų2235 Ų3510%0.09620%0.199CC..Hα-helixtrans-57.5-42.4171.3-68.5-64.6000112S515 H519 I520 L526 A527 L546 V550S515-F523 WeakPolarHBondContact O-CZ 3.27Å; H519-F523 WeakPolarHBondContact O-CD2 3.34Å; H519-F523 PolarHBondContact O-N 2.94Å; I520-F523 PolarHBondContact O-N 3.48Å; F523-L526 PolarHBondContact O-N 3.27Å; F523-A527 VanDerWaalsContact O-CB 3.26Å; F523-A527 WeakPolarHBondContact O-CB 3.41Å; F523-A527 PolarHBondContact O-N 3.47Å; F523-L546 HydrophobicContact CD1-CD2 3.71Å; F523-L546 HydrophobicContact CE1-CD2 4.39Å; F523-V550 HydrophobicContact CB-CG2 3.57Å
524Y95.8Very high93.3Very high48 Ų4833.6 Ų33.619%0.18819%0.194CC..Hα-helixtrans-60.8-48.5176.9173.3-98.9000112.4A323 N324 A327 I520 A522 A527 Q528 F547A323-Y524 HydrophobicContact CB-CD2 4.16Å; A323-Y524 HydrophobicContact CB-CE2 4.45Å; N324-Y524 WeakPolarHBondContact OD1-CE2 3.34Å; N324-Y524 PolarHBondContact OD1-OH 2.95Å; N324-Y524 VanDerWaalsContact OD1-OH 3.13Å; A327-Y524 HydrophobicContact CB-CD1 3.98Å; A327-Y524 HydrophobicContact CB-CD2 3.83Å; A327-Y524 HydrophobicContact CB-CE1 4.13Å; A327-Y524 HydrophobicContact CB-CE2 3.99Å; A327-Y524 HydrophobicContact CB-CG 3.83Å; I520-Y524 PolarHBondContact O-N 3.28Å; A522-Y524 VanDerWaalsContact C-N 3.3Å; A522-Y524 PolarHBondContact O-N 2.95Å; Y524-A527 PolarHBondContact O-N 3.31Å; Y524-Q528 WeakPolarHBondContact O-CB 3.47Å; Y524-Q528 PolarHBondContact O-N 2.99Å; Y524-F547 HydrophobicContact CD2-CD1 4.39Å; Y524-F547 AromaticContact CD2-CE1 3.93Å; Y524-F547 HydrophobicContact CD2-CE1 3.93Å; Y524-F547 HydrophobicContact CE2-CE1 4.09Å
525N95.4Very high93Very high31 Ų3135.9 Ų35.917%0.16622%0.218CC..Hα-helixtrans-65.7-40.1178.7-73.7-22.7000112F511 L521 A522 Q528 M529F511-N525 HydrophobicContact CD1-CB 4.22Å; F511-N525 HydrophobicContact CD2-CB 3.95Å; F511-N525 HydrophobicContact CE1-CB 3.99Å; F511-N525 VanDerWaalsContact CE1-ND2 3.35Å; F511-N525 WeakPolarHBondContact CE1-ND2 3.42Å; F511-N525 HydrophobicContact CE2-CB 3.71Å; F511-N525 HydrophobicContact CG-CB 4.21Å; F511-N525 HydrophobicContact CZ-CB 3.72Å; F511-N525 WeakPolarHBondContact CZ-ND2 3.35Å; L521-N525 WeakPolarHBondContact O-CB 3.49Å; L521-N525 VanDerWaalsContact O-CG 3.3Å; L521-N525 PolarHBondContact O-N 2.95Å; L521-N525 PolarHBondContact O-ND2 3.16Å; A522-N525 PolarHBondContact O-N 3.19Å; N525-Q528 PolarHBondContact O-N 3.15Å; N525-M529 WeakPolarHBondContact O-CG 3.37Å; N525-M529 PolarHBondContact O-N 3.04Å
526L95.6Very high93.1Very high4 Ų436.7 Ų36.72%0.02122%0.222CC..Hα-helixtrans-62.9-43.8172.9-70.5173.2000112.2F511 N512 S515 A522 F523 Q528 M529 H530 L546F511-L526 HydrophobicContact CB-CD1 4.39Å; F511-L526 HydrophobicContact CB-CD2 3.59Å; F511-L526 HydrophobicContact CB-CG 3.76Å; N512-L526 WeakPolarHBondContact OD1-CD1 3.05Å; N512-L526 VanDerWaalsContact OD1-CD2 3.27Å; N512-L526 WeakPolarHBondContact OD1-CD2 3.26Å; S515-L526 WeakPolarHBondContact OG-CD1 3.46Å; A522-L526 WeakPolarHBondContact O-CB 3.43Å; A522-L526 WeakPolarHBondContact O-CG 3.34Å; A522-L526 PolarHBondContact O-N 2.61Å; F523-L526 PolarHBondContact O-N 3.27Å; L526-Q528 VanDerWaalsContact C-N 3.31Å; L526-Q528 PolarHBondContact O-N 3.19Å; L526-M529 WeakPolarHBondContact O-CB 3.32Å; L526-M529 PolarHBondContact O-N 3.1Å; L526-M529 VanDerWaalsContact O-N 3.15Å; L526-H530 PolarHBondContact O-CD2 2.92Å; L526-H530 VanDerWaalsContact O-CD2 3.28Å; L526-H530 PolarHBondContact O-N 2.65Å; L526-L546 HydrophobicContact CB-CD1 3.95Å
527A96.1Very high93.2Very high0 Ų037.4 Ų37.40%023%0.227CC..Hα-helixtrans-59.2-44.6176.900000110.9F523 Y524 M529 H530 A531 L546 F547F523-A527 VanDerWaalsContact O-CB 3.26Å; F523-A527 WeakPolarHBondContact O-CB 3.41Å; F523-A527 PolarHBondContact O-N 3.47Å; Y524-A527 PolarHBondContact O-N 3.31Å; A527-M529 PolarHBondContact O-N 3.37Å; A527-H530 PolarHBondContact O-N 3.31Å; A527-A531 VanDerWaalsContact O-CB 3.22Å; A527-A531 WeakPolarHBondContact O-CB 3.32Å; A527-A531 PolarHBondContact O-N 3.1Å; A527-L546 HydrophobicContact CB-CB 3.59Å; A527-F547 HydrophobicContact CB-CB 4.45Å; A527-F547 HydrophobicContact CB-CD1 3.41Å; A527-F547 VanDerWaalsContact CB-CD1 3.41Å; A527-F547 HydrophobicContact CB-CD2 3.79Å; A527-F547 HydrophobicContact CB-CE1 3.45Å; A527-F547 VanDerWaalsContact CB-CE1 3.45Å; A527-F547 HydrophobicContact CB-CE2 3.81Å; A527-F547 HydrophobicContact CB-CG 3.59Å; A527-F547 HydrophobicContact CB-CZ 3.65Å
528Q95.3Very high93.5Very high50 Ų5041.4 Ų41.423%0.23423%0.229CC..Hα-helixtrans-63.9-38.1175.4-174.562.99.500112.2Y524 N525 L526 T532 F547Y524-Q528 WeakPolarHBondContact O-CB 3.47Å; Y524-Q528 PolarHBondContact O-N 2.99Å; N525-Q528 PolarHBondContact O-N 3.15Å; L526-Q528 VanDerWaalsContact C-N 3.31Å; L526-Q528 PolarHBondContact O-N 3.19Å; Q528-T532 WeakPolarHBondContact O-CB 3.12Å; Q528-T532 WeakPolarHBondContact O-CG2 3.29Å; Q528-T532 PolarHBondContact O-N 3.22Å; Q528-T532 PolarHBondContact O-OG1 3.35Å; Q528-F547 HydrophobicContact CB-CZ 4.49Å
529M95.4Very high94Very high0 Ų041.8 Ų41.80%023%0.228CC..Hα-helixtrans-63.6-45.6174-73.5179.376.800112.2Y495 L508 F511 N525 L526 A527 T532 G533 T534 V536Y495-M529 HydrophobicContact CD2-CE 4.48Å; Y495-M529 HydrophobicContact CD2-CG 4.17Å; Y495-M529 HydrophobicContact CD2-SD 4.02Å; Y495-M529 HydrophobicContact CE2-CG 3.68Å; Y495-M529 HydrophobicContact CE2-SD 4.16Å; L508-M529 HydrophobicContact CB-CE 3.94Å; F511-M529 HydrophobicContact CD2-SD 3.7Å; F511-M529 HydrophobicContact CE2-SD 3.9Å; N525-M529 WeakPolarHBondContact O-CG 3.37Å; N525-M529 PolarHBondContact O-N 3.04Å; L526-M529 WeakPolarHBondContact O-CB 3.32Å; L526-M529 PolarHBondContact O-N 3.1Å; L526-M529 VanDerWaalsContact O-N 3.15Å; A527-M529 PolarHBondContact O-N 3.37Å; M529-T532 PolarHBondContact O-OG1 2.93Å; M529-G533 WeakPolarHBondContact O-CA 3.47Å; M529-G533 PolarHBondContact O-N 3Å; M529-T534 WeakPolarHBondContact CA-OG1 3.32Å; M529-T534 WeakPolarHBondContact CE-O 3.43Å; M529-T534 PolarHBondContact O-N 3.23Å; M529-T534 VanDerWaalsContact O-N 3.12Å; M529-V536 HydrophobicContact CB-CG2 4.32Å; M529-V536 WeakPolarHBondContact O-CG2 3.47Å
530H96.1Very high94.3Very high39 Ų3941.1 Ų41.118%0.18123%0.226CC..Hα-helixtrans-69.8-34.3176.9-79.1-71.9000113.7L526 A527 R538 S539 A543L526-H530 PolarHBondContact O-CD2 2.92Å; L526-H530 VanDerWaalsContact O-CD2 3.28Å; L526-H530 PolarHBondContact O-N 2.65Å; A527-H530 PolarHBondContact O-N 3.31Å; H530-R538 WeakPolarHBondContact O-CA 3.43Å; H530-S539 PolarHBondContact O-N 3.03Å; H530-A543 HydrophobicContact CB-CB 3.89Å
531A95.9Very high94.5Very high9 Ų944.3 Ų44.37%0.07424%0.24CC..Hα-helixtrans-68.1-39.9176.600000112.1L316 A527 R538 A543 F547L316-A531 HydrophobicContact CD1-CB 4.02Å; L316-A531 HydrophobicContact CD2-CB 4.43Å; A527-A531 VanDerWaalsContact O-CB 3.22Å; A527-A531 WeakPolarHBondContact O-CB 3.32Å; A527-A531 PolarHBondContact O-N 3.1Å; A531-R538 WeakPolarHBondContact O-CD 3.2Å; A531-A543 HydrophobicContact CB-CB 4Å; A531-F547 HydrophobicContact CB-CE2 4.13Å
532T94.3Very high94.7Very high66 Ų6644.3 Ų44.341%0.40524%0.242SC..Hα-helixtrans-88.8-25.8-178.456.70000113.8Q528 M529 T534Q528-T532 WeakPolarHBondContact O-CB 3.12Å; Q528-T532 WeakPolarHBondContact O-CG2 3.29Å; Q528-T532 PolarHBondContact O-N 3.22Å; Q528-T532 PolarHBondContact O-OG1 3.35Å; M529-T532 PolarHBondContact O-OG1 2.93Å; T532-T534 WeakPolarHBondContact OG1-CG2 3.25Å; T532-T534 PolarHBondContact OG1-N 3.33Å; T532-T534 PolarHBondContact OG1-OG1 2.92Å
533G94Very high94.8Very high29 Ų2944.3 Ų44.330%0.29924%0.242SC..THydrogen-bonded Turntrans77.828.4-168.900000113.3M529 G535 V536M529-G533 WeakPolarHBondContact O-CA 3.47Å; M529-G533 PolarHBondContact O-N 3Å; G533-G535 PolarHBondContact O-N 3.21Å; G533-V536 CarbonylContact C-O 3.58Å; G533-V536 WeakPolarHBondContact CA-O 3.38Å; G533-V536 VanDerWaalsContact O-O 3.07Å
534T91.9Very high94.9Very high32 Ų3243.3 Ų43.320%0.19624%0.238CC..SBendtrans-85.3110177.545.60000110.4M529 T532 V536M529-T534 WeakPolarHBondContact CA-OG1 3.32Å; M529-T534 WeakPolarHBondContact CE-O 3.43Å; M529-T534 PolarHBondContact O-N 3.23Å; M529-T534 VanDerWaalsContact O-N 3.12Å; T532-T534 WeakPolarHBondContact OG1-CG2 3.25Å; T532-T534 PolarHBondContact OG1-N 3.33Å; T532-T534 PolarHBondContact OG1-OG1 2.92Å; T534-V536 PolarHBondContact O-N 3.42Å
535G88.1Confident94.9Very high49 Ų4945.3 Ų45.351%0.50525%0.249SC..SBendtrans78.3-9.5-178.400000115.6G533G533-G535 PolarHBondContact O-N 3.21Å
536V94.6Very high94.9Very high33 Ų3345.3 Ų45.320%0.225%0.249CC..SBendtrans-136.1161.4177-73.70000110.7L508 M529 G533 T534 R538L508-V536 HydrophobicContact CD1-CG1 3.07Å; M529-V536 HydrophobicContact CB-CG2 4.32Å; M529-V536 WeakPolarHBondContact O-CG2 3.47Å; G533-V536 CarbonylContact C-O 3.58Å; G533-V536 WeakPolarHBondContact CA-O 3.38Å; G533-V536 VanDerWaalsContact O-O 3.07Å; T534-V536 PolarHBondContact O-N 3.42Å; V536-R538 PolarHBondContact O-N 3.4Å
537M93.2Very high95Very high171 Ų17145.1 Ų45.184%0.84225%0.248SC*.  trans-60.6132163.7-66.5-62.1-72.300109.4S539M537-S539 PolarHBondContact O-N 3.15Å
538R95.4Very high95Very high144 Ų14446.1 Ų46.154%0.54325%0.252SS..  trans-58.7128.9174.6173.8174.6167.9159.9-0.6109.4E313 H530 A531 V536E313-R538 IonicContact OE1-CZ 3.52Å; E313-R538 IonicContact OE1-NE 3.67Å; E313-R538 IonicContact OE1-NH2 2.68Å; E313-R538 PolarHBondContact OE1-NH2 3.22Å; E313-R538 IonicContact OE2-NH2 3.62Å; E313-R538 PolarHBondContact OE2-NH2 3.38Å; H530-R538 WeakPolarHBondContact O-CA 3.43Å; A531-R538 WeakPolarHBondContact O-CD 3.2Å; V536-R538 PolarHBondContact O-N 3.4Å
539S96.3Very high94.9Very high37 Ų3746.1 Ų46.126%0.25925%0.254SS..  trans-140.9108.8178.5165.20000108.1H530 M537 T542 A543H530-S539 PolarHBondContact O-N 3.03Å; M537-S539 PolarHBondContact O-N 3.15Å; S539-T542 VanDerWaalsContact CB-OG1 3.26Å; S539-T542 WeakPolarHBondContact CB-OG1 3.41Å; S539-T542 PolarHBondContact OG-N 3.05Å; S539-T542 PolarHBondContact OG-OG1 3.13Å; S539-A543 VanDerWaalsContact O-CB 3.27Å; S539-A543 WeakPolarHBondContact O-CB 3.23Å; S539-A543 PolarHBondContact O-N 3.22Å
540C95.9Very high94.8Very high20 Ų2046.1 Ų46.114%0.13525%0.254CS..Hα-helixtrans-66.3-42.2178.6177.90000111.1C312 A543 V544C312-C540 HydrophobicContact CB-CB 4.1Å; C312-C540 WeakPolarHBondContact CB-SG 3.32Å; C312-C540 PolarHBondContact O-SG 3.42Å; C312-C540 VanDerWaalsContact O-SG 3.33Å; C312-C540 WeakPolarHBondContact SG-CB 3.34Å; C312-C540 PolarHBondContact SG-O 3.48Å; C312-C540 VanDerWaalsContact SG-O 3.35Å; C312-C540 CovalentContact SG-SG 2.04Å; C312-C540 PolarHBondContact SG-SG 3.44Å; C540-A543 PolarHBondContact O-N 2.96Å; C540-V544 WeakPolarHBondContact O-CG2 3.32Å; C540-V544 PolarHBondContact O-N 3.43Å
541H95Very high94.7Very high104 Ų10444.3 Ų44.348%0.48125%0.245SC..Hα-helixtrans-57-57.7-175.8-174.584.4000111.4W303 C312 A543 V544 E545W303-H541 HydrophobicContact CH2-CB 4.35Å; W303-H541 AromaticContact CH2-CE1 3.45Å; W303-H541 VanDerWaalsContact CH2-CE1 3.45Å; W303-H541 WeakPolarHBondContact CH2-CE1 3.41Å; W303-H541 AromaticContact CH2-CG 3.67Å; W303-H541 AromaticContact CH2-ND1 3.12Å; W303-H541 WeakPolarHBondContact CH2-ND1 3.32Å; W303-H541 AromaticContact CZ2-CE1 3.77Å; W303-H541 AromaticContact CZ2-ND1 3.91Å; W303-H541 AromaticContact CZ3-ND1 3.72Å; C312-H541 PolarHBondContact SG-N 3.08Å; C312-H541 VanDerWaalsContact SG-N 3.44Å; H541-A543 VanDerWaalsContact C-N 3.3Å; H541-A543 PolarHBondContact O-N 3.36Å; H541-V544 PolarHBondContact O-N 3.17Å; H541-V544 VanDerWaalsContact O-N 3.16Å; H541-E545 IonicContact CD2-OE2 2.63Å; H541-E545 IonicContact NE2-OE1 3.56Å; H541-E545 WeakPolarHBondContact O-CG 3.46Å; H541-E545 PolarHBondContact O-N 3.15Å; H541-E545 VanDerWaalsContact O-N 3.07Å
542T95.7Very high94.5Very high43 Ų4345 Ų4526%0.26425%0.247SC..Hα-helixtrans-64-33.1177.9600000112.7S539 E545 L546S539-T542 VanDerWaalsContact CB-OG1 3.26Å; S539-T542 WeakPolarHBondContact CB-OG1 3.41Å; S539-T542 PolarHBondContact OG-N 3.05Å; S539-T542 PolarHBondContact OG-OG1 3.13Å; T542-E545 PolarHBondContact O-N 3.17Å; T542-L546 WeakPolarHBondContact O-CB 3.43Å; T542-L546 WeakPolarHBondContact O-CD1 3.2Å; T542-L546 WeakPolarHBondContact O-CG 3.45Å; T542-L546 PolarHBondContact O-N 3.15Å
543A96.7Very high94.3Very high0 Ų045.3 Ų45.30%024%0.241CC..Hα-helixtrans-66-39.6175.100000112.4L316 H530 A531 S539 C540 H541 F547L316-A543 HydrophobicContact CD1-CB 3.56Å; H530-A543 HydrophobicContact CB-CB 3.89Å; A531-A543 HydrophobicContact CB-CB 4Å; S539-A543 VanDerWaalsContact O-CB 3.27Å; S539-A543 WeakPolarHBondContact O-CB 3.23Å; S539-A543 PolarHBondContact O-N 3.22Å; C540-A543 PolarHBondContact O-N 2.96Å; H541-A543 VanDerWaalsContact C-N 3.3Å; H541-A543 PolarHBondContact O-N 3.36Å; A543-F547 WeakPolarHBondContact O-CB 3.4Å; A543-F547 WeakPolarHBondContact O-CD2 3.42Å; A543-F547 WeakPolarHBondContact O-CG 3.27Å; A543-F547 PolarHBondContact O-N 2.88Å
544V97Very high94.1Very high0 Ų044.1 Ų44.10%023%0.229CC..Hα-helixtrans-66-43.2175.1171.40000111.1W303 A315 L316 Y319 C540 H541 L546 F547 K548W303-V544 HydrophobicContact CD2-CG1 3.77Å; W303-V544 HydrophobicContact CE3-CB 3.91Å; W303-V544 HydrophobicContact CE3-CG1 3.38Å; W303-V544 HydrophobicContact CE3-CG2 4.4Å; W303-V544 HydrophobicContact CG-CG1 4.33Å; W303-V544 HydrophobicContact CH2-CB 4.19Å; W303-V544 HydrophobicContact CH2-CG1 4.19Å; W303-V544 HydrophobicContact CZ3-CB 3.63Å; W303-V544 HydrophobicContact CZ3-CG1 3.61Å; W303-V544 HydrophobicContact CZ3-CG2 4.24Å; A315-V544 HydrophobicContact CB-CG1 4.29Å; A315-V544 HydrophobicContact CB-CG2 4.32Å; L316-V544 HydrophobicContact CB-CG2 3.67Å; L316-V544 HydrophobicContact CD1-CG2 4.03Å; L316-V544 HydrophobicContact CG-CG2 4.38Å; Y319-V544 HydrophobicContact CD2-CG1 3.8Å; Y319-V544 HydrophobicContact CE2-CG1 3.9Å; C540-V544 WeakPolarHBondContact O-CG2 3.32Å; C540-V544 PolarHBondContact O-N 3.43Å; H541-V544 PolarHBondContact O-N 3.17Å; H541-V544 VanDerWaalsContact O-N 3.16Å; V544-L546 PolarHBondContact O-N 2.85Å; V544-F547 PolarHBondContact O-N 3.32Å; V544-K548 VanDerWaalsContact O-CB 3.24Å; V544-K548 WeakPolarHBondContact O-CB 3.4Å; V544-K548 PolarHBondContact O-N 3.19Å
545E94.9Very high93.8Very high90 Ų9050 Ų5042%0.42125%0.247SC..Hα-helixtrans-60.1-46.4176.4-67.2176.2136.100111.9W303 H541 T542 K548 N549W303-E545 HydrophobicContact CH2-CG 3.85Å; W303-E545 HydrophobicContact CZ2-CG 3.72Å; H541-E545 IonicContact CD2-OE2 2.63Å; H541-E545 IonicContact NE2-OE1 3.56Å; H541-E545 WeakPolarHBondContact O-CG 3.46Å; H541-E545 PolarHBondContact O-N 3.15Å; H541-E545 VanDerWaalsContact O-N 3.07Å; T542-E545 PolarHBondContact O-N 3.17Å; E545-K548 PolarHBondContact O-N 2.97Å; E545-N549 VanDerWaalsContact O-CB 3.3Å; E545-N549 WeakPolarHBondContact O-CB 3.44Å; E545-N549 PolarHBondContact O-N 3.45Å
546L96.3Very high93.9Very high31 Ų3149.7 Ų49.716%0.16223%0.231CC..Hα-helixtrans-65.4-42.3177.3-66.3165.3000111.8F523 L526 A527 T542 V544 N549 V550F523-L546 HydrophobicContact CD1-CD2 3.71Å; F523-L546 HydrophobicContact CE1-CD2 4.39Å; L526-L546 HydrophobicContact CB-CD1 3.95Å; A527-L546 HydrophobicContact CB-CB 3.59Å; T542-L546 WeakPolarHBondContact O-CB 3.43Å; T542-L546 WeakPolarHBondContact O-CD1 3.2Å; T542-L546 WeakPolarHBondContact O-CG 3.45Å; T542-L546 PolarHBondContact O-N 3.15Å; V544-L546 PolarHBondContact O-N 2.85Å; L546-N549 WeakPolarHBondContact O-CB 3.39Å; L546-N549 PolarHBondContact O-N 2.93Å; L546-V550 WeakPolarHBondContact O-CG2 3.34Å; L546-V550 PolarHBondContact O-N 3.22Å; L546-V550 VanDerWaalsContact O-N 3.12Å
547F97.2Very high93.6Very high0 Ų048.5 Ų48.50%022%0.224CC..Hα-helixtrans-67.1-38.2174.8-77.2-50.8000112.6L316 R320 A323 Y524 A527 Q528 A531 A543 V544 N549 V550 C551L316-F547 HydrophobicContact CD1-CD2 4.36Å; L316-F547 HydrophobicContact CD1-CE2 4.33Å; L316-F547 HydrophobicContact CG-CE2 4.48Å; R320-F547 HydrophobicContact CB-CE2 4.38Å; R320-F547 HydrophobicContact CB-CZ 4.47Å; R320-F547 HydrophobicContact CG-CZ 4.2Å; A323-F547 HydrophobicContact CB-CB 4.35Å; A323-F547 HydrophobicContact CB-CD1 3.43Å; A323-F547 VanDerWaalsContact CB-CD1 3.43Å; A323-F547 HydrophobicContact CB-CE1 4.07Å; A323-F547 HydrophobicContact CB-CG 4.23Å; Y524-F547 HydrophobicContact CD2-CD1 4.39Å; Y524-F547 AromaticContact CD2-CE1 3.93Å; Y524-F547 HydrophobicContact CD2-CE1 3.93Å; Y524-F547 HydrophobicContact CE2-CE1 4.09Å; A527-F547 HydrophobicContact CB-CB 4.45Å; A527-F547 HydrophobicContact CB-CD1 3.41Å; A527-F547 VanDerWaalsContact CB-CD1 3.41Å; A527-F547 HydrophobicContact CB-CD2 3.79Å; A527-F547 HydrophobicContact CB-CE1 3.45Å; A527-F547 VanDerWaalsContact CB-CE1 3.45Å; A527-F547 HydrophobicContact CB-CE2 3.81Å; A527-F547 HydrophobicContact CB-CG 3.59Å; A527-F547 HydrophobicContact CB-CZ 3.65Å; Q528-F547 HydrophobicContact CB-CZ 4.49Å; A531-F547 HydrophobicContact CB-CE2 4.13Å; A543-F547 WeakPolarHBondContact O-CB 3.4Å; A543-F547 WeakPolarHBondContact O-CD2 3.42Å; A543-F547 WeakPolarHBondContact O-CG 3.27Å; A543-F547 PolarHBondContact O-N 2.88Å; V544-F547 PolarHBondContact O-N 3.32Å; F547-N549 VanDerWaalsContact C-N 3.34Å; F547-N549 PolarHBondContact O-N 2.88Å; F547-V550 WeakPolarHBondContact O-CB 3.42Å; F547-V550 PolarHBondContact O-N 3.15Å; F547-C551 PolarHBondContact O-N 3.37Å; F547-C551 PolarHBondContact O-SG 3.35Å
548K95.6Very high93.3Very high22 Ų2244.6 Ų44.610%0.09620%0.204CC..Hα-helixtrans-59.5-45.7173.4178.1176.8-178.2-72.60110.6Y319 V544 E545 V550 C551 E552 G586 Q625Y319-K548 HydrophobicContact CE1-CB 4.18Å; Y319-K548 HydrophobicContact CE1-CG 4.26Å; Y319-K548 HydrophobicContact CE2-CB 4.43Å; V544-K548 VanDerWaalsContact O-CB 3.24Å; V544-K548 WeakPolarHBondContact O-CB 3.4Å; V544-K548 PolarHBondContact O-N 3.19Å; E545-K548 PolarHBondContact O-N 2.97Å; K548-V550 VanDerWaalsContact C-N 3.28Å; K548-V550 PolarHBondContact O-N 3.38Å; K548-C551 PolarHBondContact O-N 2.95Å; K548-C551 VanDerWaalsContact O-N 3.13Å; K548-E552 IonicContact NZ-OE1 2.75Å; K548-E552 PolarHBondContact NZ-OE1 3.46Å; K548-E552 WeakPolarHBondContact O-CB 3.45Å; K548-E552 WeakPolarHBondContact O-CG 3.45Å; K548-E552 PolarHBondContact O-N 2.84Å; K548-G586 PolarHBondContact NZ-O 2.89Å; K548-Q625 VanDerWaalsContact CE-OE1 3.24Å
549N93.1Very high93.1Very high50 Ų5040.3 Ų40.327%0.26719%0.188SC..Hα-helixtrans-59.2-35.2176.6-167.7-51000112.8E545 L546 F547 R553E545-N549 VanDerWaalsContact O-CB 3.3Å; E545-N549 WeakPolarHBondContact O-CB 3.44Å; E545-N549 PolarHBondContact O-N 3.45Å; L546-N549 WeakPolarHBondContact O-CB 3.39Å; L546-N549 PolarHBondContact O-N 2.93Å; F547-N549 VanDerWaalsContact C-N 3.34Å; F547-N549 PolarHBondContact O-N 2.88Å; N549-R553 PolarHBondContact O-NH1 3.36Å; N549-R553 PolarHBondContact OD1-NH1 2.94Å
550V94Very high92.9Very high0 Ų038.9 Ų38.90%018%0.177CC..Hα-helixtrans-69.1-52.1169.8171.40000111.5A323 V326 I520 F523 L546 F547 K548 E552 R553A323-V550 HydrophobicContact CB-CB 4.35Å; A323-V550 HydrophobicContact CB-CG1 3.92Å; V326-V550 HydrophobicContact CB-CG1 4.04Å; V326-V550 HydrophobicContact CG1-CG1 3.94Å; I520-V550 HydrophobicContact CG2-CB 4.43Å; I520-V550 HydrophobicContact CG2-CG1 3.94Å; I520-V550 HydrophobicContact CG2-CG2 4.34Å; F523-V550 HydrophobicContact CB-CG2 3.57Å; L546-V550 WeakPolarHBondContact O-CG2 3.34Å; L546-V550 PolarHBondContact O-N 3.22Å; L546-V550 VanDerWaalsContact O-N 3.12Å; F547-V550 WeakPolarHBondContact O-CB 3.42Å; F547-V550 PolarHBondContact O-N 3.15Å; K548-V550 VanDerWaalsContact C-N 3.28Å; K548-V550 PolarHBondContact O-N 3.38Å; V550-E552 PolarHBondContact O-N 2.95Å; V550-R553 PolarHBondContact O-N 3.36Å
551C94.2Very high92.5Very high0 Ų040.2 Ų40.20%018%0.182CC..Hα-helixtrans-58.8-36.7-178-63.60000112.1M296 Y319 V322 F547 K548 R553 G554 W556M296-C551 HydrophobicContact CE-CB 4.4Å; M296-C551 HydrophobicContact SD-CB 3.95Å; Y319-C551 HydrophobicContact CD1-CB 4.25Å; Y319-C551 PolarHBondContact O-SG 3.49Å; V322-C551 HydrophobicContact CG1-CB 3.94Å; F547-C551 PolarHBondContact O-N 3.37Å; F547-C551 PolarHBondContact O-SG 3.35Å; K548-C551 PolarHBondContact O-N 2.95Å; K548-C551 VanDerWaalsContact O-N 3.13Å; C551-R553 PolarHBondContact O-N 2.81Å; C551-R553 VanDerWaalsContact O-N 3.1Å; C551-G554 PolarHBondContact O-N 2.67Å; C551-G554 VanDerWaalsContact O-N 3.12Å; C551-W556 WeakPolarHBondContact O-CZ2 3.39Å; C551-W556 PolarHBondContact O-NE1 3.13Å
552E91.9Very high92.2Very high23 Ų2338.1 Ų38.111%0.10718%0.177CC..THydrogen-bonded Turntrans-63.7-12.3176.3-77.7-178.7-161.400114.9M296 R340 K548 V550 S557 Y587M296-E552 HydrophobicContact CE-CG 3.98Å; R340-E552 IonicContact NE-OE2 3.45Å; R340-E552 IonicContact NH2-OE2 2.82Å; K548-E552 IonicContact NZ-OE1 2.75Å; K548-E552 PolarHBondContact NZ-OE1 3.46Å; K548-E552 WeakPolarHBondContact O-CB 3.45Å; K548-E552 WeakPolarHBondContact O-CG 3.45Å; K548-E552 PolarHBondContact O-N 2.84Å; V550-E552 PolarHBondContact O-N 2.95Å; E552-S557 WeakPolarHBondContact O-CB 3.29Å; E552-Y587 VanDerWaalsContact C-OH 3.3Å; E552-Y587 VanDerWaalsContact CA-OH 3.32Å; E552-Y587 WeakPolarHBondContact CA-OH 3.38Å; E552-Y587 HydrophobicContact CB-CD1 4.32Å; E552-Y587 HydrophobicContact CB-CE1 3.65Å; E552-Y587 HydrophobicContact CG-CD1 3.92Å; E552-Y587 HydrophobicContact CG-CE1 3.68Å; E552-Y587 WeakPolarHBondContact O-CE1 3.23Å; E552-Y587 PolarHBondContact O-OH 3.07Å
553R89.3Confident92.1Very high73 Ų7336.1 Ų36.128%0.27516%0.164SC..THydrogen-bonded Turntrans-1027.2176.3-64.5176.9169.158.9-8.9113.8I520 N549 V550 C551I520-R553 HydrophobicContact CD1-CB 3.85Å; I520-R553 HydrophobicContact CD1-CG 4.45Å; N549-R553 PolarHBondContact O-NH1 3.36Å; N549-R553 PolarHBondContact OD1-NH1 2.94Å; V550-R553 PolarHBondContact O-N 3.36Å; C551-R553 PolarHBondContact O-N 2.81Å; C551-R553 VanDerWaalsContact O-N 3.1Å
554G89.6Confident91.7Very high5 Ų536.8 Ų36.85%0.05217%0.167CC..SBendtrans-65162.2171.300000112.2C551 W556 S557C551-G554 PolarHBondContact O-N 2.67Å; C551-G554 VanDerWaalsContact O-N 3.12Å; G554-W556 PolarHBondContact O-N 3.48Å; G554-W556 VanDerWaalsContact O-N 3.08Å; G554-S557 VanDerWaalsContact O-CB 3.23Å; G554-S557 WeakPolarHBondContact O-CB 3.46Å; G554-S557 PolarHBondContact O-N 3.43Å; G554-S557 PolarHBondContact O-OG 3Å
555R86.6Confident91.3Very high155 Ų15538 Ų3859%0.58518%0.18SC*.G310 helixtrans-55.6-28.4-176.4-73-176.8-88.4-166.3-4.5114.4D329 S557 E558D329-R555 IonicContact OD1-NH2 2.7Å; D329-R555 PolarHBondContact OD1-NH2 3.44Å; D329-R555 IonicContact OD2-CZ 2.73Å; D329-R555 IonicContact OD2-NE 3.78Å; D329-R555 PolarHBondContact OD2-NE 3.2Å; D329-R555 IonicContact OD2-NH2 3.92Å; D329-R555 PolarHBondContact OD2-NH2 3.41Å; R555-S557 PolarHBondContact O-N 2.83Å; R555-S557 VanDerWaalsContact O-N 3.07Å; R555-E558 WeakPolarHBondContact O-CB 3.37Å; R555-E558 VanDerWaalsContact O-CG 3.26Å; R555-E558 WeakPolarHBondContact O-CG 3.37Å; R555-E558 PolarHBondContact O-N 3.1Å; R555-E558 VanDerWaalsContact O-N 3.07Å
556W89.7Confident91.1Very high43 Ų4334.4 Ų34.416%0.16316%0.164CC..G310 helixtrans-58.9-19172.550.583.4000114.1L292 M296 V322 V326 C551 G554 E558 R559 Y587L292-W556 HydrophobicContact CB-CZ3 4.39Å; L292-W556 HydrophobicContact CD1-CH2 4.45Å; L292-W556 HydrophobicContact CD1-CZ3 3.94Å; M296-W556 HydrophobicContact SD-CZ2 4.23Å; M296-W556 PolarHBondContact SD-NE1 3.2Å; V322-W556 HydrophobicContact CG1-CH2 3.49Å; V322-W556 VanDerWaalsContact CG1-CH2 3.49Å; V322-W556 HydrophobicContact CG1-CZ2 3.48Å; V322-W556 VanDerWaalsContact CG1-CZ2 3.48Å; V326-W556 HydrophobicContact CG2-CH2 3.41Å; V326-W556 VanDerWaalsContact CG2-CH2 3.41Å; V326-W556 HydrophobicContact CG2-CZ2 3.71Å; V326-W556 HydrophobicContact CG2-CZ3 4.42Å; C551-W556 WeakPolarHBondContact O-CZ2 3.39Å; C551-W556 PolarHBondContact O-NE1 3.13Å; G554-W556 PolarHBondContact O-N 3.48Å; G554-W556 VanDerWaalsContact O-N 3.08Å; W556-E558 PolarHBondContact O-N 2.95Å; W556-R559 WeakPolarHBondContact O-CB 3.47Å; W556-R559 PolarHBondContact O-N 3.43Å; W556-Y587 PolarHBondContact NE1-OH 3.34Å
557S88.4Confident90.8Very high7 Ų734.5 Ų34.55%0.04916%0.163CC..G310 helixtrans-63.1-23.5173.964.60000113.2V338 E552 G554 R555 R559 L560 Y587V338-S557 VanDerWaalsContact CG1-O 3.25Å; V338-S557 WeakPolarHBondContact CG1-O 3.32Å; V338-S557 WeakPolarHBondContact CG2-OG 3.3Å; E552-S557 WeakPolarHBondContact O-CB 3.29Å; G554-S557 VanDerWaalsContact O-CB 3.23Å; G554-S557 WeakPolarHBondContact O-CB 3.46Å; G554-S557 PolarHBondContact O-N 3.43Å; G554-S557 PolarHBondContact O-OG 3Å; R555-S557 PolarHBondContact O-N 2.83Å; R555-S557 VanDerWaalsContact O-N 3.07Å; S557-R559 PolarHBondContact O-N 3.17Å; S557-L560 WeakPolarHBondContact O-CB 3.43Å; S557-L560 PolarHBondContact O-N 3.33Å; S557-Y587 WeakPolarHBondContact CB-OH 3.35Å
558E86.7Confident90.4Very high89 Ų8939.9 Ų39.942%0.41619%0.187SC..G310 helixtrans-53.2-27.3173.5-68.8166-164.800112.4V338 R555 W556 L560 M561 T562V338-E558 HydrophobicContact CG2-CB 4.43Å; V338-E558 HydrophobicContact CG2-CG 3.88Å; R555-E558 WeakPolarHBondContact O-CB 3.37Å; R555-E558 VanDerWaalsContact O-CG 3.26Å; R555-E558 WeakPolarHBondContact O-CG 3.37Å; R555-E558 PolarHBondContact O-N 3.1Å; R555-E558 VanDerWaalsContact O-N 3.07Å; W556-E558 PolarHBondContact O-N 2.95Å; E558-L560 PolarHBondContact O-N 2.85Å; E558-L560 VanDerWaalsContact O-N 3.15Å; E558-M561 PolarHBondContact O-N 2.8Å; E558-T562 PolarHBondContact O-N 3.06Å
559R91.2Very high90Very high55 Ų5544.1 Ų44.121%0.20821%0.207CC..Hα-helixtrans-57.3-23.6173.7-172.657.761.9172.53.1113.8D234 W556 S557 T562 A563 Q578 L582D234-R559 IonicContact OD1-CZ 3.99Å; D234-R559 IonicContact OD1-NH1 3.49Å; D234-R559 PolarHBondContact OD1-NH1 3.43Å; D234-R559 IonicContact OD1-NH2 3.3Å; D234-R559 IonicContact OD2-CZ 3.77Å; D234-R559 VanDerWaalsContact OD2-CZ 3.31Å; D234-R559 IonicContact OD2-NH1 2.81Å; D234-R559 PolarHBondContact OD2-NH1 3.17Å; D234-R559 IonicContact OD2-NH2 3.69Å; D234-R559 PolarHBondContact OD2-NH2 3.13Å; W556-R559 WeakPolarHBondContact O-CB 3.47Å; W556-R559 PolarHBondContact O-N 3.43Å; S557-R559 PolarHBondContact O-N 3.17Å; R559-T562 WeakPolarHBondContact CA-OG1 3.27Å; R559-T562 WeakPolarHBondContact CD-OG1 3.29Å; R559-T562 PolarHBondContact O-OG1 3.09Å; R559-T562 VanDerWaalsContact O-OG1 3.1Å; R559-A563 VanDerWaalsContact O-CB 3.26Å; R559-A563 WeakPolarHBondContact O-CB 3.39Å; R559-A563 PolarHBondContact O-N 3.41Å; R559-Q578 HydrophobicContact CG-CB 4.43Å; R559-Q578 VanDerWaalsContact NH1-OE1 3.14Å; R559-L582 HydrophobicContact CB-CD1 4.07Å; R559-L582 HydrophobicContact CB-CD2 4.29Å; R559-L582 HydrophobicContact CB-CG 4.45Å; R559-L582 HydrophobicContact CG-CD1 3.84Å; R559-L582 HydrophobicContact CG-CD2 4.48Å; R559-L582 HydrophobicContact CG-CG 4.17Å
560L91.5Very high89.8Confident7 Ų744.3 Ų44.34%0.03722%0.22CC..Hα-helixtrans-64.8-42.6171.8-76.1163.2000111.3V338 R340 S557 E558 Y564 Y579 L582 Y587 A590V338-L560 HydrophobicContact CG1-CB 4.28Å; V338-L560 HydrophobicContact CG1-CD1 4.11Å; R340-L560 HydrophobicContact CG-CD1 4.16Å; S557-L560 WeakPolarHBondContact O-CB 3.43Å; S557-L560 PolarHBondContact O-N 3.33Å; E558-L560 PolarHBondContact O-N 2.85Å; E558-L560 VanDerWaalsContact O-N 3.15Å; L560-Y564 WeakPolarHBondContact O-CB 3.48Å; L560-Y564 PolarHBondContact O-N 3.28Å; L560-Y579 HydrophobicContact CD2-CD1 4.4Å; L560-Y579 HydrophobicContact CD2-CE1 4.1Å; L560-L582 HydrophobicContact CD2-CD1 3.77Å; L560-L582 HydrophobicContact CG-CD1 3.83Å; L560-Y587 HydrophobicContact CD1-CD1 4.19Å; L560-Y587 HydrophobicContact CD1-CE1 4.14Å; L560-A590 HydrophobicContact CD2-CB 4.43Å
561M87.8Confident89.6Confident47 Ų4748.1 Ų48.123%0.23224%0.238CC..Hα-helixtrans-72.3-36-179.7-59.8-54.2-55.600111.5V338 Q339 I341 M356 E558 Y564 G565V338-M561 HydrophobicContact CG1-CG 4.41Å; Q339-M561 HydrophobicContact CB-SD 3.95Å; I341-M561 HydrophobicContact CD1-CE 4.26Å; M356-M561 HydrophobicContact CG-CE 4.2Å; M356-M561 HydrophobicContact SD-CE 4.07Å; E558-M561 PolarHBondContact O-N 2.8Å; M561-Y564 PolarHBondContact O-N 2.75Å; M561-G565 PolarHBondContact O-N 2.83Å
562T88.9Confident89.5Confident61 Ų6149.8 Ų49.837%0.37425%0.249SC..Hα-helixtrans-69.3-39.6174.763.20000111.9E558 R559 Y564 G565 S566 Q578E558-T562 PolarHBondContact O-N 3.06Å; R559-T562 WeakPolarHBondContact CA-OG1 3.27Å; R559-T562 WeakPolarHBondContact CD-OG1 3.29Å; R559-T562 PolarHBondContact O-OG1 3.09Å; R559-T562 VanDerWaalsContact O-OG1 3.1Å; T562-Y564 VanDerWaalsContact C-N 3.34Å; T562-Y564 PolarHBondContact O-N 3.45Å; T562-G565 PolarHBondContact O-N 2.89Å; T562-S566 PolarHBondContact O-N 2.94Å; T562-Q578 PolarHBondContact OG1-OE1 3.37Å
563A92.8Very high89.6Confident0 Ų050.7 Ų50.70%025%0.254CS..Hα-helixtrans-63.6-39.8174.900000112.1R559 F567 A575 Q578 Y579R559-A563 VanDerWaalsContact O-CB 3.26Å; R559-A563 WeakPolarHBondContact O-CB 3.39Å; R559-A563 PolarHBondContact O-N 3.41Å; A563-F567 WeakPolarHBondContact O-CB 3.31Å; A563-F567 PolarHBondContact O-N 2.97Å; A563-A575 VanDerWaalsContact O-CB 3.32Å; A563-A575 WeakPolarHBondContact O-CB 3.34Å; A563-Q578 HydrophobicContact CB-CB 3.66Å; A563-Y579 HydrophobicContact CB-CD1 4.01Å; A563-Y579 HydrophobicContact CB-CD2 3.9Å; A563-Y579 HydrophobicContact CB-CE1 3.85Å; A563-Y579 HydrophobicContact CB-CE2 3.73Å; A563-Y579 HydrophobicContact CB-CG 4.03Å
564Y90Very high89.7Confident14 Ų1447.5 Ų47.56%0.05524%0.243CC..Hα-helixtrans-63.6-43.5171.9178.2-87.2000112.2I341 L343 E346 M356 L560 M561 T562 F567 K568 Y579I341-Y564 HydrophobicContact CB-CD2 4.22Å; I341-Y564 HydrophobicContact CB-CE2 4.35Å; I341-Y564 HydrophobicContact CD1-CD1 4.49Å; I341-Y564 HydrophobicContact CD1-CD2 3.98Å; I341-Y564 HydrophobicContact CD1-CE1 4.43Å; I341-Y564 HydrophobicContact CD1-CE2 3.89Å; I341-Y564 HydrophobicContact CD1-CG 4.26Å; I341-Y564 HydrophobicContact CG2-CD2 4.05Å; I341-Y564 HydrophobicContact CG2-CE2 3.76Å; L343-Y564 HydrophobicContact CD2-CD2 3.88Å; L343-Y564 HydrophobicContact CD2-CE2 4.21Å; E346-Y564 PolarHBondContact OE1-OH 3.05Å; E346-Y564 VanDerWaalsContact OE1-OH 3.1Å; E346-Y564 WeakPolarHBondContact OE2-CE2 3.43Å; M356-Y564 HydrophobicContact CG-CE1 4.45Å; M356-Y564 HydrophobicContact SD-CD1 3.81Å; M356-Y564 HydrophobicContact SD-CE1 3.28Å; M356-Y564 WeakPolarHBondContact SD-CE1 3.45Å; L560-Y564 WeakPolarHBondContact O-CB 3.48Å; L560-Y564 PolarHBondContact O-N 3.28Å; M561-Y564 PolarHBondContact O-N 2.75Å; T562-Y564 VanDerWaalsContact C-N 3.34Å; T562-Y564 PolarHBondContact O-N 3.45Å; Y564-F567 WeakPolarHBondContact O-CB 3.28Å; Y564-F567 PolarHBondContact O-N 3.37Å; Y564-K568 HydrophobicContact CD1-CG 4.17Å; Y564-K568 HydrophobicContact CE1-CG 3.67Å; Y564-K568 HydrophobicContact CE2-CG 4.46Å; Y564-K568 VanDerWaalsContact CZ-CE 3.4Å; Y564-K568 PolarHBondContact O-N 2.92Å; Y564-K568 WeakPolarHBondContact OH-CE 3.47Å; Y564-Y579 WeakPolarHBondContact CA-OH 3.46Å; Y564-Y579 PolarHBondContact N-OH 3.38Å
565G88.3Confident90Very high27 Ų2747.2 Ų47.228%0.27824%0.241SC..Hα-helixtrans-56.5-52.5174.600000112.3M561 T562 F567 K568 E569M561-G565 PolarHBondContact O-N 2.83Å; T562-G565 PolarHBondContact O-N 2.89Å; G565-F567 VanDerWaalsContact C-N 3.28Å; G565-F567 PolarHBondContact O-N 2.99Å; G565-K568 PolarHBondContact O-N 3.32Å; G565-E569 WeakPolarHBondContact O-CG 3.48Å; G565-E569 PolarHBondContact O-N 2.97Å
566S90Very high90.4Very high13 Ų1339.9 Ų39.99%0.09121%0.213CC..Hα-helixtrans-58.1-38.3174.8-69.90000112.5T562 E569 G570 E571T562-S566 PolarHBondContact O-N 2.94Å; S566-E569 PolarHBondContact O-N 2.99Å; S566-G570 PolarHBondContact O-N 3.42Å; S566-E571 WeakPolarHBondContact O-CA 3.5Å; S566-E571 WeakPolarHBondContact O-CB 3.38Å; S566-E571 PolarHBondContact O-N 3.37Å
567F91.2Very high90.7Very high34 Ų3437.8 Ų37.815%0.14921%0.205CC..Hα-helixtrans-63.9-44.2176179.6-101.2000112.2L343 A563 Y564 G565 G570 A575 F596 I597L343-F567 HydrophobicContact CD1-CD1 4.03Å; L343-F567 HydrophobicContact CD1-CD2 4Å; L343-F567 HydrophobicContact CD1-CE1 4.07Å; L343-F567 HydrophobicContact CD1-CE2 4.05Å; L343-F567 HydrophobicContact CD1-CG 3.99Å; L343-F567 HydrophobicContact CD1-CZ 4.09Å; L343-F567 HydrophobicContact CD2-CD1 3.61Å; L343-F567 HydrophobicContact CD2-CE1 3.79Å; L343-F567 HydrophobicContact CD2-CG 4.26Å; L343-F567 HydrophobicContact CG-CD1 4.41Å; L343-F567 HydrophobicContact CG-CE1 4.36Å; A563-F567 WeakPolarHBondContact O-CB 3.31Å; A563-F567 PolarHBondContact O-N 2.97Å; Y564-F567 WeakPolarHBondContact O-CB 3.28Å; Y564-F567 PolarHBondContact O-N 3.37Å; G565-F567 VanDerWaalsContact C-N 3.28Å; G565-F567 PolarHBondContact O-N 2.99Å; F567-G570 PolarHBondContact O-N 2.81Å; F567-G570 VanDerWaalsContact O-N 3.14Å; F567-A575 HydrophobicContact CB-CB 3.89Å; F567-F596 HydrophobicContact CZ-CE1 4.26Å; F567-I597 HydrophobicContact CD2-CD1 4.14Å; F567-I597 HydrophobicContact CD2-CG1 4.18Å; F567-I597 HydrophobicContact CE2-CD1 4.48Å; F567-I597 HydrophobicContact CE2-CG1 4.03Å
568K87.9Confident91Very high113 Ų11337.5 Ų37.549%0.49120%0.203SC..Hα-helixtrans-68.3-31.4176-71.8-63.5-168.4179.20113.4E346 Y564 G565 G570E346-K568 VanDerWaalsContact CD-NZ 3.31Å; E346-K568 VanDerWaalsContact OE1-CE 3.23Å; E346-K568 WeakPolarHBondContact OE1-CE 3.38Å; E346-K568 IonicContact OE1-NZ 2.73Å; E346-K568 PolarHBondContact OE1-NZ 3.29Å; E346-K568 IonicContact OE2-NZ 3.96Å; E346-K568 PolarHBondContact OE2-NZ 2.88Å; Y564-K568 HydrophobicContact CD1-CG 4.17Å; Y564-K568 HydrophobicContact CE1-CG 3.67Å; Y564-K568 HydrophobicContact CE2-CG 4.46Å; Y564-K568 VanDerWaalsContact CZ-CE 3.4Å; Y564-K568 PolarHBondContact O-N 2.92Å; Y564-K568 WeakPolarHBondContact OH-CE 3.47Å; G565-K568 PolarHBondContact O-N 3.32Å; K568-G570 PolarHBondContact O-N 3Å
569E87.8Confident91.5Very high111 Ų11133.4 Ų33.452%0.51918%0.184SC..THydrogen-bonded Turntrans-73.3-6.2172.1-69.9-178.7155.200113.2K201 G565 S566 E571K201-E569 IonicContact NZ-OE1 2.71Å; K201-E569 PolarHBondContact NZ-OE1 3.01Å; K201-E569 IonicContact NZ-OE2 3.53Å; K201-E569 PolarHBondContact NZ-OE2 3.05Å; G565-E569 WeakPolarHBondContact O-CG 3.48Å; G565-E569 PolarHBondContact O-N 2.97Å; S566-E569 PolarHBondContact O-N 2.99Å; E569-E571 VanDerWaalsContact C-N 3.35Å; E569-E571 HydrophobicContact CB-CG 4.47Å
570G88.3Confident91.8Very high53 Ų5331 Ų3155%0.54618%0.175SC..THydrogen-bonded Turntrans84.33.4-178.100000114.6S566 F567 K568 T572S566-G570 PolarHBondContact O-N 3.42Å; F567-G570 PolarHBondContact O-N 2.81Å; F567-G570 VanDerWaalsContact O-N 3.14Å; K568-G570 PolarHBondContact O-N 3Å; G570-T572 PolarHBondContact O-N 2.87Å
571E90.8Very high92.1Very high81 Ų8131.1 Ų31.138%0.37918%0.176SC..  trans-80.262.4176.2-59.3-176.7168.900110.8S566 E569 D573 A574 A575S566-E571 WeakPolarHBondContact O-CA 3.5Å; S566-E571 WeakPolarHBondContact O-CB 3.38Å; S566-E571 PolarHBondContact O-N 3.37Å; E569-E571 VanDerWaalsContact C-N 3.35Å; E569-E571 HydrophobicContact CB-CG 4.47Å; E571-D573 VanDerWaalsContact C-N 3.35Å; E571-D573 PolarHBondContact O-N 3.41Å; E571-A574 HydrophobicContact CB-CB 4.08Å; E571-A574 PolarHBondContact O-N 3.13Å; E571-A575 PolarHBondContact O-N 3.4Å
572T91.8Very high92.5Very high35 Ų3528.9 Ų28.922%0.21517%0.165CC..Hα-helixtrans-57.8-40.1-174.152.50000113.9G570 A575 L576 G602G570-T572 PolarHBondContact O-N 2.87Å; T572-A575 PolarHBondContact O-N 3.28Å; T572-L576 VanDerWaalsContact O-CB 3.27Å; T572-L576 WeakPolarHBondContact O-CB 3.35Å; T572-L576 PolarHBondContact O-N 2.89Å; T572-G602 VanDerWaalsContact CB-O 3.29Å; T572-G602 WeakPolarHBondContact CB-O 3.45Å; T572-G602 PolarHBondContact OG1-O 3.36Å
573D92.4Very high92.9Very high41 Ų4126 Ų2622%0.21915%0.147CC..Hα-helixtrans-65.9-39.3178.6-76.8-30.7000112.4Q238 E571 V577 A603 K604 I605Q238-D573 PolarHBondContact NE2-O 3.2Å; E571-D573 VanDerWaalsContact C-N 3.35Å; E571-D573 PolarHBondContact O-N 3.41Å; D573-V577 WeakPolarHBondContact O-CG2 3.37Å; D573-V577 PolarHBondContact O-N 3.48Å; D573-A603 VanDerWaalsContact OD1-CA 3.24Å; D573-A603 WeakPolarHBondContact OD1-CA 3.35Å; D573-A603 VanDerWaalsContact OD1-CB 3.31Å; D573-A603 WeakPolarHBondContact OD1-CB 3.42Å; D573-K604 PolarHBondContact OD1-N 3.13Å; D573-I605 HydrophobicContact CB-CD1 3.67Å; D573-I605 HydrophobicContact CB-CG1 4.02Å; D573-I605 WeakPolarHBondContact O-CD1 3.42Å; D573-I605 WeakPolarHBondContact OD1-CG1 3.45Å; D573-I605 PolarHBondContact OD1-N 3.2Å
574A93.1Very high93Very high6 Ų626.3 Ų26.35%0.0515%0.148CC..Hα-helixtrans-67.3-47.517400000111F232 E571 L576 V577 Q578F232-A574 WeakPolarHBondContact O-CB 3.48Å; E571-A574 HydrophobicContact CB-CB 4.08Å; E571-A574 PolarHBondContact O-N 3.13Å; A574-L576 PolarHBondContact O-N 2.88Å; A574-V577 PolarHBondContact O-N 2.83Å; A574-Q578 WeakPolarHBondContact O-CG 3.14Å; A574-Q578 PolarHBondContact O-N 3.12Å; A574-Q578 VanDerWaalsContact O-N 3.16Å
575A94.7Very high93.3Very high0 Ų025.8 Ų25.80%015%0.146CC..Hα-helixtrans-58.6-44.7176.300000112.1A563 F567 E571 T572 V577 Q578 Y579A563-A575 VanDerWaalsContact O-CB 3.32Å; A563-A575 WeakPolarHBondContact O-CB 3.34Å; F567-A575 HydrophobicContact CB-CB 3.89Å; E571-A575 PolarHBondContact O-N 3.4Å; T572-A575 PolarHBondContact O-N 3.28Å; A575-V577 PolarHBondContact O-N 2.79Å; A575-Q578 PolarHBondContact O-N 3.36Å; A575-Y579 HydrophobicContact CB-CD2 4.43Å; A575-Y579 HydrophobicContact CB-CE2 4.44Å; A575-Y579 WeakPolarHBondContact O-CD2 3.4Å; A575-Y579 PolarHBondContact O-N 2.72Å
576L95.5Very high93.6Very high0 Ų024.5 Ų24.50%013%0.133CC..Hα-helixtrans-59.7-46179.5178.561.3000111.9T572 A574 Q578 Y579 L580 V594 I597 L598 A603 F606T572-L576 VanDerWaalsContact O-CB 3.27Å; T572-L576 WeakPolarHBondContact O-CB 3.35Å; T572-L576 PolarHBondContact O-N 2.89Å; A574-L576 PolarHBondContact O-N 2.88Å; L576-Q578 PolarHBondContact O-N 2.96Å; L576-Y579 PolarHBondContact O-N 3.44Å; L576-L580 HydrophobicContact CD1-CD1 4.2Å; L576-L580 HydrophobicContact CD1-CG 4.22Å; L576-L580 HydrophobicContact CG-CD1 3.95Å; L576-L580 HydrophobicContact CG-CG 4.43Å; L576-L580 WeakPolarHBondContact O-CB 2.92Å; L576-L580 VanDerWaalsContact O-CG 3.26Å; L576-L580 WeakPolarHBondContact O-CG 3.15Å; L576-L580 PolarHBondContact O-N 3.22Å; L576-V594 HydrophobicContact CD1-CB 4.42Å; L576-V594 HydrophobicContact CD1-CG1 3.97Å; L576-V594 HydrophobicContact CD1-CG2 4.37Å; L576-I597 HydrophobicContact CB-CG2 4.25Å; L576-I597 HydrophobicContact CD1-CB 4.41Å; L576-I597 HydrophobicContact CD1-CG2 4.21Å; L576-L598 HydrophobicContact CD1-CD2 4.32Å; L576-L598 HydrophobicContact CD1-CG 4.2Å; L576-L598 HydrophobicContact CD2-CD2 3.9Å; L576-A603 HydrophobicContact CB-CB 4.48Å; L576-A603 HydrophobicContact CD2-CB 3.42Å; L576-A603 VanDerWaalsContact CD2-CB 3.42Å; L576-F606 HydrophobicContact CD2-CD2 4.26Å; L576-F606 HydrophobicContact CD2-CE2 4.07Å
577V95.7Very high93.9Very high0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-67.6-36.3179.8178.10000111.7L231 F232 F264 L270 D573 A574 A575 L580 L581 I605L231-V577 HydrophobicContact CD1-CG1 3.97Å; L231-V577 HydrophobicContact CG-CG1 4.09Å; F232-V577 HydrophobicContact CD1-CG1 3.89Å; F232-V577 HydrophobicContact CE1-CG1 3.99Å; F264-V577 HydrophobicContact CE1-CG1 3.92Å; F264-V577 HydrophobicContact CZ-CG1 4.05Å; L270-V577 HydrophobicContact CD1-CG1 4.02Å; L270-V577 HydrophobicContact CD1-CG2 4.2Å; L270-V577 HydrophobicContact CD2-CG2 4.24Å; D573-V577 WeakPolarHBondContact O-CG2 3.37Å; D573-V577 PolarHBondContact O-N 3.48Å; A574-V577 PolarHBondContact O-N 2.83Å; A575-V577 PolarHBondContact O-N 2.79Å; V577-L580 PolarHBondContact O-N 2.9Å; V577-L581 PolarHBondContact O-N 3.5Å; V577-I605 HydrophobicContact CG2-CD1 3.55Å
578Q96Very high94.1Very high1 Ų124 Ų241%0.00513%0.129CC..Hα-helixtrans-65.9-45.8174-67-178.96200111.9F232 R559 T562 A563 A574 A575 L576 L581 L582F232-Q578 HydrophobicContact CB-CG 3.79Å; F232-Q578 HydrophobicContact CD1-CB 4.44Å; F232-Q578 HydrophobicContact CD1-CG 3.67Å; F232-Q578 HydrophobicContact CG-CG 3.95Å; F232-Q578 PolarHBondContact O-NE2 2.96Å; R559-Q578 HydrophobicContact CG-CB 4.43Å; R559-Q578 VanDerWaalsContact NH1-OE1 3.14Å; T562-Q578 PolarHBondContact OG1-OE1 3.37Å; A563-Q578 HydrophobicContact CB-CB 3.66Å; A574-Q578 WeakPolarHBondContact O-CG 3.14Å; A574-Q578 PolarHBondContact O-N 3.12Å; A574-Q578 VanDerWaalsContact O-N 3.16Å; A575-Q578 PolarHBondContact O-N 3.36Å; L576-Q578 PolarHBondContact O-N 2.96Å; Q578-L581 PolarHBondContact O-N 3.4Å; Q578-L582 PolarHBondContact O-N 3.08Å
579Y97.1Very high94.4Very high2 Ų218.8 Ų18.81%0.00811%0.107CC..Hα-helixtrans-65.8-35.2175-75.9-59.1000112.6L343 L560 A563 Y564 A575 L576 L581 L582 A583 A590 N593 V594 I597L343-Y579 HydrophobicContact CD1-CE2 3.99Å; L560-Y579 HydrophobicContact CD2-CD1 4.4Å; L560-Y579 HydrophobicContact CD2-CE1 4.1Å; A563-Y579 HydrophobicContact CB-CD1 4.01Å; A563-Y579 HydrophobicContact CB-CD2 3.9Å; A563-Y579 HydrophobicContact CB-CE1 3.85Å; A563-Y579 HydrophobicContact CB-CE2 3.73Å; A563-Y579 HydrophobicContact CB-CG 4.03Å; Y564-Y579 WeakPolarHBondContact CA-OH 3.46Å; Y564-Y579 PolarHBondContact N-OH 3.38Å; A575-Y579 HydrophobicContact CB-CD2 4.43Å; A575-Y579 HydrophobicContact CB-CE2 4.44Å; A575-Y579 WeakPolarHBondContact O-CD2 3.4Å; A575-Y579 PolarHBondContact O-N 2.72Å; L576-Y579 PolarHBondContact O-N 3.44Å; Y579-L581 PolarHBondContact O-N 2.97Å; Y579-L582 PolarHBondContact O-N 2.91Å; Y579-A583 VanDerWaalsContact O-CB 3.27Å; Y579-A583 WeakPolarHBondContact O-CB 3.07Å; Y579-A583 PolarHBondContact O-N 3.39Å; Y579-A590 HydrophobicContact CD1-CB 4.22Å; Y579-N593 HydrophobicContact CD1-CB 3.96Å; Y579-N593 HydrophobicContact CD2-CB 4.2Å; Y579-N593 HydrophobicContact CE1-CB 3.96Å; Y579-N593 VanDerWaalsContact CE1-ND2 3.29Å; Y579-N593 WeakPolarHBondContact CE1-ND2 3.17Å; Y579-N593 HydrophobicContact CE2-CB 4.21Å; Y579-N593 HydrophobicContact CG-CB 4.08Å; Y579-N593 PolarHBondContact OH-ND2 3.5Å; Y579-V594 VanDerWaalsContact C-CG2 3.48Å; Y579-I597 HydrophobicContact CD2-CD1 3.78Å; Y579-I597 HydrophobicContact CE2-CD1 4.11Å
580L96.9Very high94.9Very high6 Ų613.5 Ų13.53%0.0318%0.083CC..Hα-helixtrans-59.8-42.9174.5-82.8167000112F264 L270 L576 V577 L582 A583 E584 V594 F606F264-L580 HydrophobicContact CE2-CB 3.84Å; F264-L580 HydrophobicContact CZ-CB 3.88Å; L270-L580 HydrophobicContact CD1-CD1 4.47Å; L576-L580 HydrophobicContact CD1-CD1 4.2Å; L576-L580 HydrophobicContact CD1-CG 4.22Å; L576-L580 HydrophobicContact CG-CD1 3.95Å; L576-L580 HydrophobicContact CG-CG 4.43Å; L576-L580 WeakPolarHBondContact O-CB 2.92Å; L576-L580 VanDerWaalsContact O-CG 3.26Å; L576-L580 WeakPolarHBondContact O-CG 3.15Å; L576-L580 PolarHBondContact O-N 3.22Å; V577-L580 PolarHBondContact O-N 2.9Å; L580-L582 VanDerWaalsContact C-N 3.33Å; L580-L582 PolarHBondContact O-N 2.85Å; L580-A583 PolarHBondContact O-N 3.33Å; L580-E584 PolarHBondContact O-N 3.27Å; L580-V594 HydrophobicContact CB-CG2 4.46Å; L580-V594 HydrophobicContact CD2-CG1 3.7Å; L580-V594 HydrophobicContact CD2-CG2 4.07Å; L580-V594 HydrophobicContact CG-CG1 4.19Å; L580-V594 HydrophobicContact CG-CG2 3.97Å; L580-F606 HydrophobicContact CD1-CE2 4.13Å; L580-F606 HydrophobicContact CD1-CZ 4.21Å
581L96.9Very high95.3Very high9 Ų911 Ų115%0.0476%0.057CC..Hα-helixtrans-63.6-39.6176.7-178.570000111.5F232 M260 F264 V577 Q578 Y579 Q585F232-L581 HydrophobicContact CE1-CB 4.17Å; F232-L581 HydrophobicContact CE1-CD2 4.06Å; F232-L581 HydrophobicContact CE2-CD2 4.2Å; F232-L581 HydrophobicContact CZ-CB 4.35Å; F232-L581 HydrophobicContact CZ-CD2 3.42Å; F232-L581 VanDerWaalsContact CZ-CD2 3.42Å; F232-L581 HydrophobicContact CZ-CG 4.35Å; M260-L581 HydrophobicContact SD-CD1 4.15Å; F264-L581 HydrophobicContact CB-CD1 4.13Å; F264-L581 HydrophobicContact CD1-CD1 4.25Å; F264-L581 HydrophobicContact CD2-CB 4.33Å; F264-L581 HydrophobicContact CD2-CD1 3.84Å; F264-L581 HydrophobicContact CE1-CB 4.49Å; F264-L581 VanDerWaalsContact CE2-CA 3.5Å; F264-L581 HydrophobicContact CE2-CB 3.96Å; F264-L581 HydrophobicContact CE2-CD1 4.33Å; F264-L581 HydrophobicContact CG-CD1 3.79Å; F264-L581 HydrophobicContact CZ-CB 4.03Å; V577-L581 PolarHBondContact O-N 3.5Å; Q578-L581 PolarHBondContact O-N 3.4Å; Y579-L581 PolarHBondContact O-N 2.97Å; L581-Q585 WeakPolarHBondContact O-CG 2.87Å; L581-Q585 PolarHBondContact O-N 3.07Å; L581-Q585 PolarHBondContact O-NE2 2.63Å
582L97.1Very high95.6Very high0 Ų07.2 Ų7.20%04%0.039CC..Hα-helixtrans-71.1-35.5176.9-70161.4000111.8R559 L560 Q578 Y579 L580 E584 Q585 G586 Y587 A590R559-L582 HydrophobicContact CB-CD1 4.07Å; R559-L582 HydrophobicContact CB-CD2 4.29Å; R559-L582 HydrophobicContact CB-CG 4.45Å; R559-L582 HydrophobicContact CG-CD1 3.84Å; R559-L582 HydrophobicContact CG-CD2 4.48Å; R559-L582 HydrophobicContact CG-CG 4.17Å; L560-L582 HydrophobicContact CD2-CD1 3.77Å; L560-L582 HydrophobicContact CG-CD1 3.83Å; Q578-L582 PolarHBondContact O-N 3.08Å; Y579-L582 PolarHBondContact O-N 2.91Å; L580-L582 VanDerWaalsContact C-N 3.33Å; L580-L582 PolarHBondContact O-N 2.85Å; L582-E584 VanDerWaalsContact C-N 3.34Å; L582-E584 PolarHBondContact O-N 3.2Å; L582-Q585 WeakPolarHBondContact O-CB 3.24Å; L582-Q585 PolarHBondContact O-N 3.22Å; L582-G586 PolarHBondContact O-N 2.74Å; L582-Y587 HydrophobicContact CB-CD2 4.08Å; L582-Y587 HydrophobicContact CD2-CD2 3.72Å; L582-Y587 HydrophobicContact CD2-CE2 3.59Å; L582-Y587 WeakPolarHBondContact O-CD2 3.33Å; L582-Y587 PolarHBondContact O-N 3.01Å; L582-A590 HydrophobicContact CB-CB 3.43Å; L582-A590 VanDerWaalsContact CB-CB 3.43Å
583A96.9Very high95.8Very high0 Ų05.6 Ų5.60%03%0.029CC..Hα-helixtrans-65.6-36.2175.700000112.3Y579 L580 G586 A590 Q591 V594Y579-A583 VanDerWaalsContact O-CB 3.27Å; Y579-A583 WeakPolarHBondContact O-CB 3.07Å; Y579-A583 PolarHBondContact O-N 3.39Å; L580-A583 PolarHBondContact O-N 3.33Å; A583-G586 PolarHBondContact O-N 3.4Å; A583-A590 HydrophobicContact CB-CB 4.31Å; A583-Q591 HydrophobicContact CB-CB 4.44Å; A583-Q591 HydrophobicContact CB-CG 3.63Å; A583-Q591 PolarHBondContact O-NE2 3.43Å; A583-V594 HydrophobicContact CB-CG2 4.07Å
584E95.7Very high96Very high7 Ų73.7 Ų3.73%0.0332%0.019CC..Hα-helixtrans-70.3-31.5172.5-77.7-69.1120.800113.1F264 R301 L580 L582 G586 R621F264-E584 HydrophobicContact CD2-CG 4.32Å; R301-E584 IonicContact CZ-OE2 2.77Å; R301-E584 IonicContact NE-OE2 3.61Å; R301-E584 IonicContact NH2-OE1 2.68Å; R301-E584 IonicContact NH2-OE2 3.65Å; R301-E584 PolarHBondContact NH2-OE2 3.41Å; L580-E584 PolarHBondContact O-N 3.27Å; L582-E584 VanDerWaalsContact C-N 3.34Å; L582-E584 PolarHBondContact O-N 3.2Å; E584-G586 PolarHBondContact O-N 3.24Å; E584-R621 IonicContact OE1-CZ 3.46Å; E584-R621 IonicContact OE1-NH1 3.18Å; E584-R621 PolarHBondContact OE1-NH1 2.99Å; E584-R621 IonicContact OE1-NH2 2.81Å; E584-R621 PolarHBondContact OE1-NH2 3.37Å
585Q95.5Very high96.2Very high2 Ų23.4 Ų3.41%0.0092%0.017CC..THydrogen-bonded Turntrans-70.4-11.8170.7-73.8168.978.800113.6I293 M296 I297 L581 L582 Y587I293-Q585 HydrophobicContact CG2-CG 3.87Å; M296-Q585 HydrophobicContact CE-CB 4.05Å; M296-Q585 HydrophobicContact CG-CB 4.14Å; M296-Q585 HydrophobicContact CG-CG 4.41Å; M296-Q585 HydrophobicContact SD-CB 4.47Å; I297-Q585 HydrophobicContact CD1-CG 4.21Å; I297-Q585 HydrophobicContact CG1-CB 4.34Å; I297-Q585 HydrophobicContact CG1-CG 3.71Å; L581-Q585 WeakPolarHBondContact O-CG 2.87Å; L581-Q585 PolarHBondContact O-N 3.07Å; L581-Q585 PolarHBondContact O-NE2 2.63Å; L582-Q585 WeakPolarHBondContact O-CB 3.24Å; L582-Q585 PolarHBondContact O-N 3.22Å; Q585-Y587 HydrophobicContact CB-CD2 4.05Å; Q585-Y587 HydrophobicContact CB-CE2 4.26Å
586G94.6Very high96.2Very high0 Ų03.9 Ų3.90%02%0.019CC..THydrogen-bonded Turntrans98.310176.100000116Y300 K548 L582 A583 E584 E588 Q625Y300-G586 VanDerWaalsContact CG-CA 3.47Å; K548-G586 PolarHBondContact NZ-O 2.89Å; L582-G586 PolarHBondContact O-N 2.74Å; A583-G586 PolarHBondContact O-N 3.4Å; E584-G586 PolarHBondContact O-N 3.24Å; G586-E588 PolarHBondContact O-N 3.22Å; G586-Q625 PolarHBondContact O-NE2 3.08Å; G586-Q625 PolarHBondContact O-OE1 3.16Å
587Y96.1Very high96.1Very high2 Ų24 Ų41%0.0082%0.019CC..  trans-65.9116.2173.1-74.9-90.3000110.5M296 E552 W556 S557 L560 L582 Q585 A590 Q591M296-Y587 HydrophobicContact CE-CD2 4.08Å; M296-Y587 HydrophobicContact CE-CE2 3.47Å; M296-Y587 VanDerWaalsContact CE-CE2 3.47Å; E552-Y587 VanDerWaalsContact C-OH 3.3Å; E552-Y587 VanDerWaalsContact CA-OH 3.32Å; E552-Y587 WeakPolarHBondContact CA-OH 3.38Å; E552-Y587 HydrophobicContact CB-CD1 4.32Å; E552-Y587 HydrophobicContact CB-CE1 3.65Å; E552-Y587 HydrophobicContact CG-CD1 3.92Å; E552-Y587 HydrophobicContact CG-CE1 3.68Å; E552-Y587 WeakPolarHBondContact O-CE1 3.23Å; E552-Y587 PolarHBondContact O-OH 3.07Å; W556-Y587 PolarHBondContact NE1-OH 3.34Å; S557-Y587 WeakPolarHBondContact CB-OH 3.35Å; L560-Y587 HydrophobicContact CD1-CD1 4.19Å; L560-Y587 HydrophobicContact CD1-CE1 4.14Å; L582-Y587 HydrophobicContact CB-CD2 4.08Å; L582-Y587 HydrophobicContact CD2-CD2 3.72Å; L582-Y587 HydrophobicContact CD2-CE2 3.59Å; L582-Y587 WeakPolarHBondContact O-CD2 3.33Å; L582-Y587 PolarHBondContact O-N 3.01Å; Q585-Y587 HydrophobicContact CB-CD2 4.05Å; Q585-Y587 HydrophobicContact CB-CE2 4.26Å; Y587-A590 PolarHBondContact O-N 3.27Å; Y587-Q591 WeakPolarHBondContact O-CG 3.19Å; Y587-Q591 PolarHBondContact O-N 3.29Å; Y587-Q591 VanDerWaalsContact O-N 3.09Å
588E95.4Very high96.1Very high34 Ų344.2 Ų4.216%0.1592%0.02CC..Hα-helixtrans-57.2-50.3177.5168.5-87.6131.800111.9R342 G586 A590 Q591 S592 Q625 Y627R342-E588 IonicContact CZ-OE1 3.37Å; R342-E588 IonicContact CZ-OE2 2.72Å; R342-E588 IonicContact NE-OE1 2.63Å; R342-E588 PolarHBondContact NE-OE1 3.24Å; R342-E588 IonicContact NE-OE2 3.16Å; R342-E588 IonicContact NH2-OE1 2.65Å; R342-E588 PolarHBondContact NH2-OE1 3.26Å; R342-E588 IonicContact NH2-OE2 3.39Å; R342-E588 PolarHBondContact NH2-OE2 3.27Å; G586-E588 PolarHBondContact O-N 3.22Å; E588-A590 VanDerWaalsContact C-N 3.26Å; E588-A590 PolarHBondContact O-N 3.09Å; E588-Q591 WeakPolarHBondContact O-CA 3.36Å; E588-Q591 WeakPolarHBondContact O-CB 3.23Å; E588-Q591 PolarHBondContact O-N 3.15Å; E588-S592 PolarHBondContact O-N 2.94Å; E588-Q625 HydrophobicContact CB-CB 4.03Å; E588-Q625 HydrophobicContact CG-CB 4.1Å; E588-Y627 WeakPolarHBondContact OE1-CB 3.14Å
589V95.2Very high95.8Very high5 Ų56 Ų63%0.033%0.03CC..Hα-helixtrans-59-34.7178.1170.20000112.9R340 I341 R342 S592 N593R340-V589 HydrophobicContact CB-CB 4.36Å; R340-V589 HydrophobicContact CB-CG1 4.29Å; R340-V589 HydrophobicContact CB-CG2 4Å; I341-V589 WeakPolarHBondContact O-CG1 3.15Å; R342-V589 HydrophobicContact CG-CB 4.33Å; R342-V589 HydrophobicContact CG-CG1 3.96Å; R342-V589 HydrophobicContact CG-CG2 3.9Å; V589-S592 WeakPolarHBondContact CA-OG 3.45Å; V589-S592 PolarHBondContact O-OG 3.42Å; V589-N593 WeakPolarHBondContact O-CB 3.32Å; V589-N593 PolarHBondContact O-N 2.81Å; V589-N593 PolarHBondContact O-ND2 3.38Å; V589-N593 PolarHBondContact O-OD1 3.27Å
590A97Very high95.4Very high0 Ų010.9 Ų10.90%05%0.053CC..Hα-helixtrans-71.1-35.5174.300000111.6L560 Y579 L582 A583 Y587 E588 N593 V594L560-A590 HydrophobicContact CD2-CB 4.43Å; Y579-A590 HydrophobicContact CD1-CB 4.22Å; L582-A590 HydrophobicContact CB-CB 3.43Å; L582-A590 VanDerWaalsContact CB-CB 3.43Å; A583-A590 HydrophobicContact CB-CB 4.31Å; Y587-A590 PolarHBondContact O-N 3.27Å; E588-A590 VanDerWaalsContact C-N 3.26Å; E588-A590 PolarHBondContact O-N 3.09Å; A590-N593 PolarHBondContact O-N 3.06Å; A590-V594 WeakPolarHBondContact O-CG2 3.27Å; A590-V594 PolarHBondContact O-N 3.41Å
591Q97.3Very high94.7Very high0 Ų015.4 Ų15.40%07%0.072CC..Hα-helixtrans-65.6-43.5176-67166.1-0.300111.6Y300 A583 Y587 E588 N593 A595 R621 A622Y300-Q591 VanDerWaalsContact CZ-NE2 3.32Å; Y300-Q591 PolarHBondContact OH-NE2 2.57Å; A583-Q591 HydrophobicContact CB-CB 4.44Å; A583-Q591 HydrophobicContact CB-CG 3.63Å; A583-Q591 PolarHBondContact O-NE2 3.43Å; Y587-Q591 WeakPolarHBondContact O-CG 3.19Å; Y587-Q591 PolarHBondContact O-N 3.29Å; Y587-Q591 VanDerWaalsContact O-N 3.09Å; E588-Q591 WeakPolarHBondContact O-CA 3.36Å; E588-Q591 WeakPolarHBondContact O-CB 3.23Å; E588-Q591 PolarHBondContact O-N 3.15Å; Q591-N593 VanDerWaalsContact C-N 3.35Å; Q591-A595 WeakPolarHBondContact O-CB 3.45Å; Q591-A595 PolarHBondContact O-N 2.72Å; Q591-A595 VanDerWaalsContact O-N 3.08Å; Q591-R621 HydrophobicContact CG-CB 4.31Å; Q591-R621 VanDerWaalsContact OE1-C 3.26Å; Q591-R621 VanDerWaalsContact OE1-CB 3.27Å; Q591-R621 PolarHBondContact OE1-O 3.38Å; Q591-A622 HydrophobicContact CB-CB 4.08Å
592S96.6Very high93.4Very high2 Ų216.5 Ų16.51%0.0149%0.086CC..Hα-helixtrans-62.9-40.6173.257.20000112.2E588 V589 A595 F596E588-S592 PolarHBondContact O-N 2.94Å; V589-S592 WeakPolarHBondContact CA-OG 3.45Å; V589-S592 PolarHBondContact O-OG 3.42Å; S592-A595 PolarHBondContact O-N 2.93Å; S592-F596 WeakPolarHBondContact O-CB 3.48Å; S592-F596 PolarHBondContact O-N 3.38Å
593N96.3Very high92.7Very high1 Ų117 Ų171%0.0059%0.09CC..Hα-helixtrans-69.4-39.6-178.9-67.4-2.6000112.4I341 R342 L343 Y579 V589 A590 Q591 F596 I597I341-N593 PolarHBondContact O-ND2 3.25Å; R342-N593 WeakPolarHBondContact CA-OD1 3.18Å; L343-N593 HydrophobicContact CD1-CB 3.99Å; L343-N593 HydrophobicContact CG-CB 4.19Å; L343-N593 PolarHBondContact N-OD1 2.54Å; Y579-N593 HydrophobicContact CD1-CB 3.96Å; Y579-N593 HydrophobicContact CD2-CB 4.2Å; Y579-N593 HydrophobicContact CE1-CB 3.96Å; Y579-N593 VanDerWaalsContact CE1-ND2 3.29Å; Y579-N593 WeakPolarHBondContact CE1-ND2 3.17Å; Y579-N593 HydrophobicContact CE2-CB 4.21Å; Y579-N593 HydrophobicContact CG-CB 4.08Å; Y579-N593 PolarHBondContact OH-ND2 3.5Å; V589-N593 WeakPolarHBondContact O-CB 3.32Å; V589-N593 PolarHBondContact O-N 2.81Å; V589-N593 PolarHBondContact O-ND2 3.38Å; V589-N593 PolarHBondContact O-OD1 3.27Å; A590-N593 PolarHBondContact O-N 3.06Å; Q591-N593 VanDerWaalsContact C-N 3.35Å; N593-F596 PolarHBondContact O-N 3.18Å; N593-I597 VanDerWaalsContact O-CG1 3.29Å; N593-I597 WeakPolarHBondContact O-CG1 3.5Å; N593-I597 PolarHBondContact O-N 3.48Å
594V96.9Very high92.1Very high0 Ų025.9 Ų25.90%013%0.129CC..Hα-helixtrans-58.4-49.3170.1169.60000110.6L576 Y579 L580 A583 A590 F596 I597 L598 H618L576-V594 HydrophobicContact CD1-CB 4.42Å; L576-V594 HydrophobicContact CD1-CG1 3.97Å; L576-V594 HydrophobicContact CD1-CG2 4.37Å; Y579-V594 VanDerWaalsContact C-CG2 3.48Å; L580-V594 HydrophobicContact CB-CG2 4.46Å; L580-V594 HydrophobicContact CD2-CG1 3.7Å; L580-V594 HydrophobicContact CD2-CG2 4.07Å; L580-V594 HydrophobicContact CG-CG1 4.19Å; L580-V594 HydrophobicContact CG-CG2 3.97Å; A583-V594 HydrophobicContact CB-CG2 4.07Å; A590-V594 WeakPolarHBondContact O-CG2 3.27Å; A590-V594 PolarHBondContact O-N 3.41Å; V594-F596 VanDerWaalsContact C-N 3.33Å; V594-F596 PolarHBondContact O-N 3.07Å; V594-I597 PolarHBondContact O-N 3.34Å; V594-L598 HydrophobicContact CG1-CD1 3.78Å; V594-L598 HydrophobicContact CG1-CG 4.44Å; V594-L598 WeakPolarHBondContact O-CG 3.36Å; V594-L598 PolarHBondContact O-N 3.08Å; V594-L598 VanDerWaalsContact O-N 3.13Å; V594-H618 HydrophobicContact CB-CB 4.48Å; V594-H618 HydrophobicContact CG1-CB 4.24Å; V594-H618 VanDerWaalsContact CG1-CD2 3.45Å; V594-H618 WeakPolarHBondContact CG1-CD2 3.24Å
595A95.9Very high91.6Very high0 Ų028 Ų280%014%0.14CC..Hα-helixtrans-61.3-43.9-177.200000111.4Q591 S592 L598 D599 H618 W619Q591-A595 WeakPolarHBondContact O-CB 3.45Å; Q591-A595 PolarHBondContact O-N 2.72Å; Q591-A595 VanDerWaalsContact O-N 3.08Å; S592-A595 PolarHBondContact O-N 2.93Å; A595-L598 PolarHBondContact O-N 2.9Å; A595-D599 VanDerWaalsContact O-CB 3.3Å; A595-D599 WeakPolarHBondContact O-CB 3.4Å; A595-D599 PolarHBondContact O-N 3.28Å; A595-H618 HydrophobicContact CB-CB 3.82Å; A595-W619 HydrophobicContact CB-CD2 3.37Å; A595-W619 HydrophobicContact CB-CE3 3.83Å; A595-W619 HydrophobicContact CB-CG 3.69Å; A595-W619 HydrophobicContact CB-CH2 4.24Å; A595-W619 HydrophobicContact CB-CZ2 3.84Å; A595-W619 HydrophobicContact CB-CZ3 4.24Å
596F95.1Very high91.3Very high10 Ų1028.9 Ų28.94%0.04414%0.144CC..Hα-helixtrans-61-47.3175.9178.3-104.8000113.9L343 L344 V347 F567 S592 N593 V594 L598 D599 Q600 W619L343-F596 HydrophobicContact CB-CD1 3.58Å; L343-F596 HydrophobicContact CB-CE1 3.73Å; L343-F596 HydrophobicContact CB-CG 4.45Å; L343-F596 HydrophobicContact CD1-CD1 4.26Å; L344-F596 HydrophobicContact CB-CD2 3.92Å; L344-F596 HydrophobicContact CB-CE2 4.17Å; L344-F596 HydrophobicContact CB-CG 4.43Å; L344-F596 HydrophobicContact CD1-CD2 3.76Å; L344-F596 HydrophobicContact CD1-CE2 3.56Å; L344-F596 HydrophobicContact CG-CD2 4.38Å; L344-F596 HydrophobicContact CG-CE2 4.48Å; V347-F596 HydrophobicContact CB-CZ 4.23Å; V347-F596 HydrophobicContact CG1-CZ 4.5Å; V347-F596 HydrophobicContact CG2-CE1 4.43Å; V347-F596 HydrophobicContact CG2-CZ 3.98Å; F567-F596 HydrophobicContact CZ-CE1 4.26Å; S592-F596 WeakPolarHBondContact O-CB 3.48Å; S592-F596 PolarHBondContact O-N 3.38Å; N593-F596 PolarHBondContact O-N 3.18Å; V594-F596 VanDerWaalsContact C-N 3.33Å; V594-F596 PolarHBondContact O-N 3.07Å; F596-L598 VanDerWaalsContact C-N 3.28Å; F596-L598 PolarHBondContact O-N 2.86Å; F596-D599 WeakPolarHBondContact O-CB 3.2Å; F596-D599 PolarHBondContact O-N 3.03Å; F596-Q600 HydrophobicContact CE2-CG 4.25Å; F596-Q600 VanDerWaalsContact CZ-CD 3.44Å; F596-Q600 HydrophobicContact CZ-CG 4.24Å; F596-Q600 PolarHBondContact O-N 3.35Å; F596-W619 HydrophobicContact CB-CH2 4.34Å; F596-W619 HydrophobicContact CB-CZ2 4.39Å
597I94.9Very high90.9Very high2 Ų232.1 Ų32.11%0.0117%0.166CC..Hα-helixtrans-62.8-37.2179.4-67.9166.1000111.3L343 F567 L576 Y579 N593 V594 G602 A603L343-I597 HydrophobicContact CD1-CD1 3.85Å; L343-I597 HydrophobicContact CD1-CG1 3.97Å; F567-I597 HydrophobicContact CD2-CD1 4.14Å; F567-I597 HydrophobicContact CD2-CG1 4.18Å; F567-I597 HydrophobicContact CE2-CD1 4.48Å; F567-I597 HydrophobicContact CE2-CG1 4.03Å; L576-I597 HydrophobicContact CB-CG2 4.25Å; L576-I597 HydrophobicContact CD1-CB 4.41Å; L576-I597 HydrophobicContact CD1-CG2 4.21Å; Y579-I597 HydrophobicContact CD2-CD1 3.78Å; Y579-I597 HydrophobicContact CE2-CD1 4.11Å; N593-I597 VanDerWaalsContact O-CG1 3.29Å; N593-I597 WeakPolarHBondContact O-CG1 3.5Å; N593-I597 PolarHBondContact O-N 3.48Å; V594-I597 PolarHBondContact O-N 3.34Å; I597-G602 PolarHBondContact O-N 3.41Å; I597-A603 HydrophobicContact CG2-CB 4.12Å
598L93.7Very high90.2Very high5 Ų536.7 Ų36.73%0.02619%0.191CC..Hα-helixtrans-71.3-39.7175.5-67.7173.1000112.3L576 V594 A595 F596 Q600 K601 F606 T611 R614 A615L576-L598 HydrophobicContact CD1-CD2 4.32Å; L576-L598 HydrophobicContact CD1-CG 4.2Å; L576-L598 HydrophobicContact CD2-CD2 3.9Å; V594-L598 HydrophobicContact CG1-CD1 3.78Å; V594-L598 HydrophobicContact CG1-CG 4.44Å; V594-L598 WeakPolarHBondContact O-CG 3.36Å; V594-L598 PolarHBondContact O-N 3.08Å; V594-L598 VanDerWaalsContact O-N 3.13Å; A595-L598 PolarHBondContact O-N 2.9Å; F596-L598 VanDerWaalsContact C-N 3.28Å; F596-L598 PolarHBondContact O-N 2.86Å; L598-Q600 VanDerWaalsContact C-N 3.34Å; L598-Q600 PolarHBondContact O-N 3.29Å; L598-K601 PolarHBondContact O-N 2.82Å; L598-K601 VanDerWaalsContact O-N 3.08Å; L598-F606 HydrophobicContact CD2-CD2 3.92Å; L598-F606 HydrophobicContact CD2-CE2 4.4Å; L598-T611 HydrophobicContact CD2-CG2 4.48Å; L598-R614 HydrophobicContact CD1-CB 3.85Å; L598-A615 HydrophobicContact CB-CB 3.84Å; L598-A615 HydrophobicContact CD1-CB 4.43Å
599D91.3Very high89.7Confident38 Ų3842 Ų4220%0.20322%0.221CC..Hα-helixtrans-61.5-40.2177.8-160.842.8000111.8A595 F596 K601 Y637A595-D599 VanDerWaalsContact O-CB 3.3Å; A595-D599 WeakPolarHBondContact O-CB 3.4Å; A595-D599 PolarHBondContact O-N 3.28Å; F596-D599 WeakPolarHBondContact O-CB 3.2Å; F596-D599 PolarHBondContact O-N 3.03Å; D599-K601 PolarHBondContact O-N 2.81Å; D599-Y637 WeakPolarHBondContact OD1-CE2 3.42Å; D599-Y637 PolarHBondContact OD1-OH 3.29Å
600Q88.6Confident89.3Confident105 Ų10545.9 Ų45.949%0.49124%0.238SC..THydrogen-bonded Turntrans-74.4-4.3175.1-69-165.9-33.800114.5F596 L598 G602F596-Q600 HydrophobicContact CE2-CG 4.25Å; F596-Q600 VanDerWaalsContact CZ-CD 3.44Å; F596-Q600 HydrophobicContact CZ-CG 4.24Å; F596-Q600 PolarHBondContact O-N 3.35Å; L598-Q600 VanDerWaalsContact C-N 3.34Å; L598-Q600 PolarHBondContact O-N 3.29Å; Q600-G602 PolarHBondContact O-N 2.88Å; Q600-G602 VanDerWaalsContact O-N 3.14Å
601K80.8Confident89.1Confident101 Ų10146.1 Ų46.144%0.43924%0.24SC..THydrogen-bonded Turntrans52.427.8-171.7-55.4-170.7172.7-155.30114.3L598 D599 A603 D608 Y612L598-K601 PolarHBondContact O-N 2.82Å; L598-K601 VanDerWaalsContact O-N 3.08Å; D599-K601 PolarHBondContact O-N 2.81Å; K601-A603 VanDerWaalsContact C-N 3.26Å; K601-A603 PolarHBondContact O-N 3.49Å; K601-D608 IonicContact NZ-OD1 3.85Å; K601-D608 PolarHBondContact NZ-OD1 3.47Å; K601-Y612 WeakPolarHBondContact CE-OH 3.4Å
602G70.9Confident88.8Confident33 Ų3349 Ų4934%0.3425%0.251SS..  trans-74.8-11.7-174.800000114.8T572 I597 Q600T572-G602 VanDerWaalsContact CB-O 3.29Å; T572-G602 WeakPolarHBondContact CB-O 3.45Å; T572-G602 PolarHBondContact OG1-O 3.36Å; I597-G602 PolarHBondContact O-N 3.41Å; Q600-G602 PolarHBondContact O-N 2.88Å; Q600-G602 VanDerWaalsContact O-N 3.14Å
603A81.1Confident88.7Confident10 Ų1051.6 Ų51.68%0.08327%0.268CS..  trans-115.2141-175.100000111.7D573 L576 I597 K601D573-A603 VanDerWaalsContact OD1-CA 3.24Å; D573-A603 WeakPolarHBondContact OD1-CA 3.35Å; D573-A603 VanDerWaalsContact OD1-CB 3.31Å; D573-A603 WeakPolarHBondContact OD1-CB 3.42Å; L576-A603 HydrophobicContact CB-CB 4.48Å; L576-A603 HydrophobicContact CD2-CB 3.42Å; L576-A603 VanDerWaalsContact CD2-CB 3.42Å; I597-A603 HydrophobicContact CG2-CB 4.12Å; K601-A603 VanDerWaalsContact C-N 3.26Å; K601-A603 PolarHBondContact O-N 3.49Å
604K84.8Confident88.5Confident186 Ų18653.8 Ų53.881%0.80928%0.276SS*.  trans-103.7-2.1-174.1-63.3178.6-178.7176.80113.6D573 F606D573-K604 PolarHBondContact OD1-N 3.13Å; K604-F606 VanDerWaalsContact C-N 3.31Å; K604-F606 PolarHBondContact O-N 2.96Å
605I86.1Confident88.4Confident53 Ų5353.8 Ų53.827%0.27228%0.276SS..SBendtrans-62.8-30.9-179.4-72.4166.8000113.7L270 D573 V577L270-I605 HydrophobicContact CD2-CG2 3.52Å; D573-I605 HydrophobicContact CB-CD1 3.67Å; D573-I605 HydrophobicContact CB-CG1 4.02Å; D573-I605 WeakPolarHBondContact O-CD1 3.42Å; D573-I605 WeakPolarHBondContact OD1-CG1 3.45Å; D573-I605 PolarHBondContact OD1-N 3.2Å; V577-I605 HydrophobicContact CG2-CD1 3.55Å
606F88Confident88.4Confident20 Ų2054.6 Ų54.69%0.08828%0.281CS..SBendtrans-117.3149.2-177.4-58.9-66.9000111.2L270 L576 L580 L598 K604 T611 R614L270-F606 HydrophobicContact CD2-CE1 4.01Å; L270-F606 HydrophobicContact CD2-CE2 4.43Å; L270-F606 HydrophobicContact CD2-CZ 3.6Å; L270-F606 HydrophobicContact CG-CZ 4.39Å; L576-F606 HydrophobicContact CD2-CD2 4.26Å; L576-F606 HydrophobicContact CD2-CE2 4.07Å; L580-F606 HydrophobicContact CD1-CE2 4.13Å; L580-F606 HydrophobicContact CD1-CZ 4.21Å; L598-F606 HydrophobicContact CD2-CD2 3.92Å; L598-F606 HydrophobicContact CD2-CE2 4.4Å; K604-F606 VanDerWaalsContact C-N 3.31Å; K604-F606 PolarHBondContact O-N 2.96Å; F606-T611 HydrophobicContact CB-CG2 4.29Å; F606-R614 VanDerWaalsContact CE1-CZ 3.48Å
607S86.3Confident88.4Confident68 Ų6858.1 Ų58.148%0.47630%0.299SS..  trans-68.8147.9172.962.50000111.9N609 E610 T611S607-N609 PolarHBondContact O-N 3.47Å; S607-E610 PolarHBondContact O-N 2.86Å; S607-T611 PolarHBondContact O-N 2.87Å
608D81.6Confident88.5Confident97 Ų9758.6 Ų58.652%0.51930%0.301SS..Hα-helixtrans-48.9-33.5179-79.5-74.3000115.1K601 E610 T611K601-D608 IonicContact NZ-OD1 3.85Å; K601-D608 PolarHBondContact NZ-OD1 3.47Å; D608-E610 VanDerWaalsContact C-N 3.26Å; D608-E610 PolarHBondContact O-N 3.32Å; D608-T611 PolarHBondContact O-OG1 2.89Å
609N86.2Confident88.6Confident147 Ų14758.3 Ų58.379%0.78630%0.3SS*.Hα-helixtrans-71-21179.5-66.6-14.7000113.3S607S607-N609 PolarHBondContact O-N 3.47Å
610E87.1Confident88.8Confident85 Ų8559.7 Ų59.740%0.39731%0.31SS..Hα-helixtrans-99.4-18.7-179.3-67.1-166.6178.600113.4S607 D608 P613 R614S607-E610 PolarHBondContact O-N 2.86Å; D608-E610 VanDerWaalsContact C-N 3.26Å; D608-E610 PolarHBondContact O-N 3.32Å; E610-P613 WeakPolarHBondContact O-CD 3.5Å; E610-R614 WeakPolarHBondContact O-CB 3.47Å; E610-R614 WeakPolarHBondContact O-CD 3.38Å; E610-R614 WeakPolarHBondContact O-CG 3.37Å; E610-R614 PolarHBondContact O-N 3.25Å; E610-R614 VanDerWaalsContact O-N 3.17Å; E610-R614 IonicContact OE2-CZ 2.73Å; E610-R614 IonicContact OE2-NE 3.11Å; E610-R614 PolarHBondContact OE2-NE 3.07Å; E610-R614 IonicContact OE2-NH2 2.75Å; E610-R614 PolarHBondContact OE2-NH2 3.33Å
611T91.2Very high89.2Confident5 Ų555.6 Ų55.63%0.03129%0.29CS..Hα-helixtrans-62.5-52.5-174.253.10000112L598 F606 S607 D608 R614 A615L598-T611 HydrophobicContact CD2-CG2 4.48Å; F606-T611 HydrophobicContact CB-CG2 4.29Å; S607-T611 PolarHBondContact O-N 2.87Å; D608-T611 PolarHBondContact O-OG1 2.89Å; T611-R614 PolarHBondContact O-N 2.82Å; T611-A615 WeakPolarHBondContact O-CB 3.38Å; T611-A615 PolarHBondContact O-N 3.07Å
612Y92.6Very high89.9Confident60 Ų6050.8 Ų50.824%0.23527%0.269CS..Hα-helixtrans-63.8-46.9-179.6-67.3-65.5000114K601 R614 A615 L616 Y637 Y642K601-Y612 WeakPolarHBondContact CE-OH 3.4Å; Y612-R614 PolarHBondContact O-N 3.36Å; Y612-A615 PolarHBondContact O-N 2.89Å; Y612-L616 WeakPolarHBondContact O-CB 3.44Å; Y612-L616 PolarHBondContact O-N 3.46Å; Y612-Y637 HydrophobicContact CD1-CE1 4.26Å; Y612-Y642 HydrophobicContact CD1-CG 4.42Å; Y612-Y642 HydrophobicContact CE1-CG 4.46Å
613P93.1Very high91Very high58 Ų5849.3 Ų49.338%0.37725%0.254SS..Hα-helixtrans-58.3-35.3174.3-2634.3000113.5E610 L617E610-P613 WeakPolarHBondContact O-CD 3.5Å; P613-L617 PolarHBondContact O-N 2.92Å; P613-L617 VanDerWaalsContact O-N 3.13Å
614R93Very high91.6Very high46 Ų4652.9 Ų52.917%0.17428%0.283CS..Hα-helixtrans-71.2-44175-69166.2178.6-87.511.5111.3A268 L598 F606 E610 T611 Y612 L616 L617 H618A268-R614 PolarHBondContact O-NH1 3.48Å; L598-R614 HydrophobicContact CD1-CB 3.85Å; F606-R614 VanDerWaalsContact CE1-CZ 3.48Å; E610-R614 WeakPolarHBondContact O-CB 3.47Å; E610-R614 WeakPolarHBondContact O-CD 3.38Å; E610-R614 WeakPolarHBondContact O-CG 3.37Å; E610-R614 PolarHBondContact O-N 3.25Å; E610-R614 VanDerWaalsContact O-N 3.17Å; E610-R614 IonicContact OE2-CZ 2.73Å; E610-R614 IonicContact OE2-NE 3.11Å; E610-R614 PolarHBondContact OE2-NE 3.07Å; E610-R614 IonicContact OE2-NH2 2.75Å; E610-R614 PolarHBondContact OE2-NH2 3.33Å; T611-R614 PolarHBondContact O-N 2.82Å; Y612-R614 PolarHBondContact O-N 3.36Å; R614-L616 PolarHBondContact O-N 3.11Å; R614-L617 WeakPolarHBondContact O-CB 3.44Å; R614-L617 PolarHBondContact O-N 3.07Å; R614-H618 PolarHBondContact O-CD2 3.42Å; R614-H618 PolarHBondContact O-N 3.31Å; R614-H618 VanDerWaalsContact O-N 3.13Å
615A95.1Very high91.9Very high0 Ų046.7 Ų46.70%026%0.257CS..Hα-helixtrans-58.7-46.7174.800000111.3L598 T611 Y612 L617 H618 W619 Y637L598-A615 HydrophobicContact CB-CB 3.84Å; L598-A615 HydrophobicContact CD1-CB 4.43Å; T611-A615 WeakPolarHBondContact O-CB 3.38Å; T611-A615 PolarHBondContact O-N 3.07Å; Y612-A615 PolarHBondContact O-N 2.89Å; A615-L617 PolarHBondContact O-N 3.22Å; A615-H618 PolarHBondContact O-N 3.26Å; A615-H618 VanDerWaalsContact O-N 3.07Å; A615-W619 PolarHBondContact O-N 2.98Å; A615-Y637 HydrophobicContact CB-CE1 4.11Å; A615-Y637 VanDerWaalsContact CB-OH 3.27Å; A615-Y637 WeakPolarHBondContact CB-OH 3.31Å
616L95.3Very high92.1Very high18 Ų1845.9 Ų45.99%0.09426%0.262CS..Hα-helixtrans-56.4-45175.3-179.263000112.6Y612 R614 H618 W619 T620 L634 Y637 T644Y612-L616 WeakPolarHBondContact O-CB 3.44Å; Y612-L616 PolarHBondContact O-N 3.46Å; R614-L616 PolarHBondContact O-N 3.11Å; L616-H618 VanDerWaalsContact C-N 3.29Å; L616-H618 PolarHBondContact O-N 2.81Å; L616-W619 PolarHBondContact O-N 3.31Å; L616-T620 WeakPolarHBondContact O-CB 3.38Å; L616-T620 PolarHBondContact O-N 2.98Å; L616-T620 PolarHBondContact O-OG1 2.9Å; L616-L634 HydrophobicContact CD1-CD2 3.53Å; L616-Y637 HydrophobicContact CB-CD1 3.74Å; L616-Y637 HydrophobicContact CB-CE1 3.98Å; L616-Y637 HydrophobicContact CD1-CD1 3.75Å; L616-Y637 HydrophobicContact CD1-CG 4.13Å; L616-Y637 HydrophobicContact CG-CD1 4.25Å; L616-T644 HydrophobicContact CD2-CG2 3.33Å
617L94.7Very high92.3Very high83 Ų8345.6 Ų45.644%0.43526%0.26SS..Hα-helixtrans-58.4-42.7175.6175.165.6000111.4P613 R614 A615 T620 R621P613-L617 PolarHBondContact O-N 2.92Å; P613-L617 VanDerWaalsContact O-N 3.13Å; R614-L617 WeakPolarHBondContact O-CB 3.44Å; R614-L617 PolarHBondContact O-N 3.07Å; A615-L617 PolarHBondContact O-N 3.22Å; L617-T620 WeakPolarHBondContact O-CB 3.41Å; L617-T620 PolarHBondContact O-N 2.99Å; L617-R621 WeakPolarHBondContact O-CG 3.29Å; L617-R621 PolarHBondContact O-N 2.95Å; L617-R621 VanDerWaalsContact O-N 3.1Å
618H96.3Very high92.4Very high12 Ų1245 Ų456%0.05625%0.254CS..Hα-helixtrans-74-38.5179.9-77.6-76.8000112.8V594 A595 R614 A615 L616 T620 R621 A622V594-H618 HydrophobicContact CB-CB 4.48Å; V594-H618 HydrophobicContact CG1-CB 4.24Å; V594-H618 VanDerWaalsContact CG1-CD2 3.45Å; V594-H618 WeakPolarHBondContact CG1-CD2 3.24Å; A595-H618 HydrophobicContact CB-CB 3.82Å; R614-H618 PolarHBondContact O-CD2 3.42Å; R614-H618 PolarHBondContact O-N 3.31Å; R614-H618 VanDerWaalsContact O-N 3.13Å; A615-H618 PolarHBondContact O-N 3.26Å; A615-H618 VanDerWaalsContact O-N 3.07Å; L616-H618 VanDerWaalsContact C-N 3.29Å; L616-H618 PolarHBondContact O-N 2.81Å; H618-T620 VanDerWaalsContact C-N 3.29Å; H618-T620 PolarHBondContact O-N 3.41Å; H618-R621 PolarHBondContact O-N 2.91Å; H618-A622 PolarHBondContact O-N 2.79Å
619W96.8Very high92.9Very high0 Ų041.5 Ų41.50%024%0.236CC..Hα-helixtrans-58.5-41.2168.4-73.5133.9000111.8L344 A595 F596 A615 L616 R621 A622 A623 Y627 A630 K633 L634 Y637L344-W619 HydrophobicContact CD2-CH2 4.05Å; A595-W619 HydrophobicContact CB-CD2 3.37Å; A595-W619 HydrophobicContact CB-CE3 3.83Å; A595-W619 HydrophobicContact CB-CG 3.69Å; A595-W619 HydrophobicContact CB-CH2 4.24Å; A595-W619 HydrophobicContact CB-CZ2 3.84Å; A595-W619 HydrophobicContact CB-CZ3 4.24Å; F596-W619 HydrophobicContact CB-CH2 4.34Å; F596-W619 HydrophobicContact CB-CZ2 4.39Å; A615-W619 PolarHBondContact O-N 2.98Å; L616-W619 PolarHBondContact O-N 3.31Å; W619-R621 PolarHBondContact O-N 2.91Å; W619-A622 PolarHBondContact O-N 3.11Å; W619-A623 VanDerWaalsContact O-CB 3.28Å; W619-A623 WeakPolarHBondContact O-CB 3.41Å; W619-A623 PolarHBondContact O-N 3.16Å; W619-Y627 HydrophobicContact CZ3-CE1 4.1Å; W619-A630 HydrophobicContact CE3-CB 3.52Å; W619-A630 HydrophobicContact CZ3-CB 3.99Å; W619-K633 HydrophobicContact CD2-CB 3.97Å; W619-K633 HydrophobicContact CD2-CG 4.42Å; W619-K633 HydrophobicContact CE3-CB 4.42Å; W619-K633 HydrophobicContact CG-CB 4.23Å; W619-K633 HydrophobicContact CH2-CG 4.28Å; W619-K633 HydrophobicContact CZ2-CB 4.39Å; W619-K633 HydrophobicContact CZ2-CG 4.02Å; W619-L634 HydrophobicContact CB-CD2 3.67Å; W619-L634 HydrophobicContact CB-CG 4.19Å; W619-Y637 AromaticContact CD1-CE2 3.91Å; W619-Y637 AromaticContact CD1-CZ 3.82Å; W619-Y637 AromaticContact NE1-CE2 3.82Å; W619-Y637 AromaticContact NE1-CZ 3.86Å
620T95.9Very high93.3Very high66 Ų6634.5 Ų34.541%0.40520%0.198SC..Hα-helixtrans-61.3-45.8177.7-57.70000111.1L616 L617 H618 A624 L634L616-T620 WeakPolarHBondContact O-CB 3.38Å; L616-T620 PolarHBondContact O-N 2.98Å; L616-T620 PolarHBondContact O-OG1 2.9Å; L617-T620 WeakPolarHBondContact O-CB 3.41Å; L617-T620 PolarHBondContact O-N 2.99Å; H618-T620 VanDerWaalsContact C-N 3.29Å; H618-T620 PolarHBondContact O-N 3.41Å; T620-A624 VanDerWaalsContact O-CB 3.32Å; T620-A624 WeakPolarHBondContact O-CB 3.37Å; T620-A624 PolarHBondContact O-N 3.06Å; T620-L634 WeakPolarHBondContact OG1-CD2 3.15Å
621R95.8Very high93.6Very high19 Ų1932 Ų327%0.07219%0.185CC..Hα-helixtrans-64.4-43.2177-67.6172-179.8-166.23112.1E584 Q591 L617 H618 W619 A624 Q625E584-R621 IonicContact OE1-CZ 3.46Å; E584-R621 IonicContact OE1-NH1 3.18Å; E584-R621 PolarHBondContact OE1-NH1 2.99Å; E584-R621 IonicContact OE1-NH2 2.81Å; E584-R621 PolarHBondContact OE1-NH2 3.37Å; Q591-R621 HydrophobicContact CG-CB 4.31Å; Q591-R621 VanDerWaalsContact OE1-C 3.26Å; Q591-R621 VanDerWaalsContact OE1-CB 3.27Å; Q591-R621 PolarHBondContact OE1-O 3.38Å; L617-R621 WeakPolarHBondContact O-CG 3.29Å; L617-R621 PolarHBondContact O-N 2.95Å; L617-R621 VanDerWaalsContact O-N 3.1Å; H618-R621 PolarHBondContact O-N 2.91Å; W619-R621 PolarHBondContact O-N 2.91Å; R621-A624 PolarHBondContact O-N 3.08Å; R621-Q625 WeakPolarHBondContact O-CG 3.41Å; R621-Q625 PolarHBondContact O-N 3.32Å
622A96Very high93.8Very high0 Ų032.1 Ų32.10%019%0.186CC..Hα-helixtrans-66-43.5177.900000112.4Q591 H618 W619 A624 Q625 G626 Y627 A630Q591-A622 HydrophobicContact CB-CB 4.08Å; H618-A622 PolarHBondContact O-N 2.79Å; W619-A622 PolarHBondContact O-N 3.11Å; A622-A624 VanDerWaalsContact C-N 3.31Å; A622-A624 PolarHBondContact O-N 3.48Å; A622-Q625 CarbonylContact O-C 3.43Å; A622-Q625 PolarHBondContact O-N 3.38Å; A622-Q625 VanDerWaalsContact O-N 3.09Å; A622-G626 PolarHBondContact O-N 3.48Å; A622-Y627 HydrophobicContact CB-CD1 4.38Å; A622-Y627 PolarHBondContact O-N 2.99Å; A622-A630 HydrophobicContact CB-CB 3.85Å
623A94.6Very high93.9Very high3 Ų331.1 Ų31.13%0.02518%0.182CC..Hα-helixtrans-67.5-28.817700000113.2W619 Q625 G626 A630 R631 L634W619-A623 VanDerWaalsContact O-CB 3.28Å; W619-A623 WeakPolarHBondContact O-CB 3.41Å; W619-A623 PolarHBondContact O-N 3.16Å; A623-Q625 VanDerWaalsContact C-N 3.32Å; A623-G626 PolarHBondContact O-N 3.45Å; A623-A630 HydrophobicContact CB-CB 4.08Å; A623-R631 HydrophobicContact CB-CB 3.97Å; A623-R631 HydrophobicContact CB-CG 4.5Å; A623-R631 PolarHBondContact O-NH2 3.43Å; A623-L634 HydrophobicContact CB-CD1 3.51Å; A623-L634 HydrophobicContact CB-CG 4.41Å
624A92.9Very high94Very high84 Ų8428.5 Ų28.569%0.69417%0.165SC*.Hα-helixtrans-71.1-26.8171.400000112.5T620 R621 A622 G626T620-A624 VanDerWaalsContact O-CB 3.32Å; T620-A624 WeakPolarHBondContact O-CB 3.37Å; T620-A624 PolarHBondContact O-N 3.06Å; R621-A624 PolarHBondContact O-N 3.08Å; A622-A624 VanDerWaalsContact C-N 3.31Å; A622-A624 PolarHBondContact O-N 3.48Å; A624-G626 VanDerWaalsContact C-N 3.3Å
625Q91.9Very high94.1Very high56 Ų5626.3 Ų26.326%0.26216%0.157SC..THydrogen-bonded Turntrans-85.62171.8-63.5-162.279.600113.7K548 G586 E588 R621 A622 A623K548-Q625 VanDerWaalsContact CE-OE1 3.24Å; G586-Q625 PolarHBondContact O-NE2 3.08Å; G586-Q625 PolarHBondContact O-OE1 3.16Å; E588-Q625 HydrophobicContact CB-CB 4.03Å; E588-Q625 HydrophobicContact CG-CB 4.1Å; R621-Q625 WeakPolarHBondContact O-CG 3.41Å; R621-Q625 PolarHBondContact O-N 3.32Å; A622-Q625 CarbonylContact O-C 3.43Å; A622-Q625 PolarHBondContact O-N 3.38Å; A622-Q625 VanDerWaalsContact O-N 3.09Å; A623-Q625 VanDerWaalsContact C-N 3.32Å
626G89.8Confident94.1Very high36 Ų3627.2 Ų27.237%0.37116%0.162SC..THydrogen-bonded Turntrans97.84.6171.600000116.1A622 A623 A624 T628 Q662A622-G626 PolarHBondContact O-N 3.48Å; A623-G626 PolarHBondContact O-N 3.45Å; A624-G626 VanDerWaalsContact C-N 3.3Å; G626-T628 PolarHBondContact O-N 2.87Å; G626-Q662 PolarHBondContact O-NE2 3.43Å
627Y92.1Very high94.2Very high15 Ų1526.5 Ų26.56%0.05916%0.158CC..  trans-67128.7174.1-178.6-144.4000110.8R342 D345 E588 W619 A622 V629 A630R342-Y627 VanDerWaalsContact CD-CE2 3.46Å; R342-Y627 WeakPolarHBondContact CD-OH 3.32Å; D345-Y627 PolarHBondContact OD1-OH 3.47Å; E588-Y627 WeakPolarHBondContact OE1-CB 3.14Å; W619-Y627 HydrophobicContact CZ3-CE1 4.1Å; A622-Y627 HydrophobicContact CB-CD1 4.38Å; A622-Y627 PolarHBondContact O-N 2.99Å; Y627-V629 HydrophobicContact CE1-CB 4.2Å; Y627-V629 HydrophobicContact CE2-CB 3.95Å; Y627-V629 HydrophobicContact CE2-CG2 3.83Å; Y627-A630 HydrophobicContact CD1-CB 3.43Å; Y627-A630 VanDerWaalsContact CD1-CB 3.43Å; Y627-A630 HydrophobicContact CE1-CB 4.1Å; Y627-A630 HydrophobicContact CG-CB 4.07Å
628T89.1Confident94.3Very high55 Ų5524 Ų2434%0.33714%0.144SC..Hα-helixtrans-75.6-50.8-167.171.70000111.2G626 A630 R631 I632 Q662G626-T628 PolarHBondContact O-N 2.87Å; T628-A630 VanDerWaalsContact C-N 3.33Å; T628-A630 PolarHBondContact O-N 2.91Å; T628-R631 WeakPolarHBondContact O-CA 3.17Å; T628-R631 WeakPolarHBondContact O-CB 3.46Å; T628-R631 PolarHBondContact O-N 3.18Å; T628-I632 PolarHBondContact O-N 3.5Å; T628-Q662 HydrophobicContact CG2-CB 3.78Å; T628-Q662 VanDerWaalsContact CG2-CD 3.44Å; T628-Q662 HydrophobicContact CG2-CG 3.63Å
629V91.2Very high94.3Very high23 Ų2324.9 Ų24.914%0.13915%0.148CC..Hα-helixtrans-64.8-37.9-178-167.40000111L344 Y627 R631 I632 K633L344-V629 HydrophobicContact CD2-CB 4.37Å; L344-V629 HydrophobicContact CD2-CG1 3.51Å; Y627-V629 HydrophobicContact CE1-CB 4.2Å; Y627-V629 HydrophobicContact CE2-CB 3.95Å; Y627-V629 HydrophobicContact CE2-CG2 3.83Å; V629-R631 PolarHBondContact O-N 3.27Å; V629-I632 WeakPolarHBondContact O-CA 3.37Å; V629-I632 WeakPolarHBondContact O-CB 3.39Å; V629-I632 PolarHBondContact O-N 3.01Å; V629-K633 WeakPolarHBondContact O-CG 3.18Å; V629-K633 PolarHBondContact O-N 3.18Å
630A94.5Very high94.2Very high0 Ų031.2 Ų31.20%017%0.173CC..Hα-helixtrans-54.9-39.1170.600000112.9W619 A622 A623 Y627 T628 I632 K633 L634W619-A630 HydrophobicContact CE3-CB 3.52Å; W619-A630 HydrophobicContact CZ3-CB 3.99Å; A622-A630 HydrophobicContact CB-CB 3.85Å; A623-A630 HydrophobicContact CB-CB 4.08Å; Y627-A630 HydrophobicContact CD1-CB 3.43Å; Y627-A630 VanDerWaalsContact CD1-CB 3.43Å; Y627-A630 HydrophobicContact CE1-CB 4.1Å; Y627-A630 HydrophobicContact CG-CB 4.07Å; T628-A630 VanDerWaalsContact C-N 3.33Å; T628-A630 PolarHBondContact O-N 2.91Å; A630-I632 VanDerWaalsContact C-N 3.34Å; A630-K633 PolarHBondContact O-N 2.92Å; A630-L634 WeakPolarHBondContact O-CG 3.21Å; A630-L634 PolarHBondContact O-N 3.34Å
631R94.5Very high94.1Very high32 Ų3229.2 Ų29.212%0.12117%0.165CC..Hα-helixtrans-71.8-29.1178.4-167.2171.9-70.3178.4-0.9112.5A623 T628 V629 G635 H654 A658A623-R631 HydrophobicContact CB-CB 3.97Å; A623-R631 HydrophobicContact CB-CG 4.5Å; A623-R631 PolarHBondContact O-NH2 3.43Å; T628-R631 WeakPolarHBondContact O-CA 3.17Å; T628-R631 WeakPolarHBondContact O-CB 3.46Å; T628-R631 PolarHBondContact O-N 3.18Å; V629-R631 PolarHBondContact O-N 3.27Å; R631-G635 PolarHBondContact O-N 3.03Å; R631-H654 HydrophobicContact CG-CB 4.48Å; R631-A658 HydrophobicContact CB-CB 4.4Å; R631-A658 HydrophobicContact CG-CB 4.31Å
632I94.4Very high94Very high8 Ų832.4 Ų32.44%0.04118%0.178CC..Hα-helixtrans-68.9-47170.3-56.6-179.2000109.8T628 V629 A630 L634 G635 D636 Y655 A658 Q666 A667T628-I632 PolarHBondContact O-N 3.5Å; V629-I632 WeakPolarHBondContact O-CA 3.37Å; V629-I632 WeakPolarHBondContact O-CB 3.39Å; V629-I632 PolarHBondContact O-N 3.01Å; A630-I632 VanDerWaalsContact C-N 3.34Å; I632-L634 VanDerWaalsContact C-N 3.28Å; I632-L634 PolarHBondContact O-N 2.97Å; I632-G635 CarbonylContact O-C 3.23Å; I632-G635 VanDerWaalsContact O-CA 3.3Å; I632-G635 WeakPolarHBondContact O-CA 3.41Å; I632-G635 PolarHBondContact O-N 3.03Å; I632-D636 PolarHBondContact O-N 3.48Å; I632-Y655 HydrophobicContact CG2-CD1 4.32Å; I632-Y655 HydrophobicContact CG2-CE1 4.08Å; I632-A658 HydrophobicContact CG1-CB 3.94Å; I632-Q666 HydrophobicContact CD1-CB 4.23Å; I632-Q666 HydrophobicContact CG2-CG 4.14Å; I632-A667 HydrophobicContact CD1-CB 4.01Å; I632-A667 HydrophobicContact CG1-CB 4.06Å
633K95.2Very high93.6Very high39 Ų3934 Ų3417%0.1720%0.195CC..Hα-helixtrans-58.4-35.1175.7-66.7-69.6179.5-178.80113.1W619 V629 A630 G635 D636 Y637W619-K633 HydrophobicContact CD2-CB 3.97Å; W619-K633 HydrophobicContact CD2-CG 4.42Å; W619-K633 HydrophobicContact CE3-CB 4.42Å; W619-K633 HydrophobicContact CG-CB 4.23Å; W619-K633 HydrophobicContact CH2-CG 4.28Å; W619-K633 HydrophobicContact CZ2-CB 4.39Å; W619-K633 HydrophobicContact CZ2-CG 4.02Å; V629-K633 WeakPolarHBondContact O-CG 3.18Å; V629-K633 PolarHBondContact O-N 3.18Å; A630-K633 PolarHBondContact O-N 2.92Å; K633-G635 VanDerWaalsContact C-N 3.34Å; K633-D636 PolarHBondContact O-N 3.01Å; K633-Y637 WeakPolarHBondContact O-CB 3.46Å; K633-Y637 WeakPolarHBondContact O-CD2 3.07Å; K633-Y637 PolarHBondContact O-N 3.33Å
634L95.1Very high93.6Very high4 Ų436.3 Ų36.32%0.02121%0.208CC..Hα-helixtrans-61.5-41.8169.8-70.4179000112.7L616 W619 T620 A623 A630 I632 Y637 H638 H654L616-L634 HydrophobicContact CD1-CD2 3.53Å; W619-L634 HydrophobicContact CB-CD2 3.67Å; W619-L634 HydrophobicContact CB-CG 4.19Å; T620-L634 WeakPolarHBondContact OG1-CD2 3.15Å; A623-L634 HydrophobicContact CB-CD1 3.51Å; A623-L634 HydrophobicContact CB-CG 4.41Å; A630-L634 WeakPolarHBondContact O-CG 3.21Å; A630-L634 PolarHBondContact O-N 3.34Å; I632-L634 VanDerWaalsContact C-N 3.28Å; I632-L634 PolarHBondContact O-N 2.97Å; L634-Y637 PolarHBondContact O-N 3.28Å; L634-H638 PolarHBondContact O-CD2 3.37Å; L634-H638 VanDerWaalsContact O-CD2 3.25Å; L634-H638 PolarHBondContact O-N 2.85Å; L634-H638 VanDerWaalsContact O-N 3.11Å; L634-H654 HydrophobicContact CB-CB 4.43Å
635G95.4Very high93.7Very high0 Ų039.4 Ų39.40%021%0.213CC..Hα-helixtrans-60.2-45.2172.500000111.7R631 I632 K633 Y637 H638 F639 A651 Y655R631-G635 PolarHBondContact O-N 3.03Å; I632-G635 CarbonylContact O-C 3.23Å; I632-G635 VanDerWaalsContact O-CA 3.3Å; I632-G635 WeakPolarHBondContact O-CA 3.41Å; I632-G635 PolarHBondContact O-N 3.03Å; K633-G635 VanDerWaalsContact C-N 3.34Å; G635-Y637 PolarHBondContact O-N 3.45Å; G635-H638 PolarHBondContact O-N 2.87Å; G635-F639 WeakPolarHBondContact O-CB 3.46Å; G635-F639 PolarHBondContact O-N 3.15Å; G635-A651 WeakPolarHBondContact O-CB 3.5Å; G635-Y655 VanDerWaalsContact C-CZ 3.43Å; G635-Y655 PolarHBondContact O-OH 2.91Å
636D95.8Very high93.9Very high19 Ų1940.5 Ų40.510%0.10222%0.223CC..Hα-helixtrans-60.5-45.2176.6-59.5-33.6000110.8I632 K633 H638 F639 Y640 Y655 N670I632-D636 PolarHBondContact O-N 3.48Å; K633-D636 PolarHBondContact O-N 3.01Å; D636-H638 PolarHBondContact O-N 3.43Å; D636-F639 PolarHBondContact O-N 3.29Å; D636-Y640 HydrophobicContact CB-CD2 4.27Å; D636-Y640 HydrophobicContact CB-CE2 4.37Å; D636-Y640 WeakPolarHBondContact O-CD2 3.49Å; D636-Y640 PolarHBondContact O-N 3.27Å; D636-Y655 WeakPolarHBondContact CA-OH 3.32Å; D636-Y655 PolarHBondContact N-OH 3.22Å; D636-Y655 PolarHBondContact OD1-OH 3.26Å; D636-N670 PolarHBondContact OD1-ND2 2.91Å
637Y96.1Very high94.2Very high2 Ų241.5 Ų41.51%0.00822%0.22CC..Hα-helixtrans-61.5-46-179.3-90.5-126.4000112.7D599 Y612 A615 L616 W619 K633 L634 G635 F639 G641 Y642D599-Y637 WeakPolarHBondContact OD1-CE2 3.42Å; D599-Y637 PolarHBondContact OD1-OH 3.29Å; Y612-Y637 HydrophobicContact CD1-CE1 4.26Å; A615-Y637 HydrophobicContact CB-CE1 4.11Å; A615-Y637 VanDerWaalsContact CB-OH 3.27Å; A615-Y637 WeakPolarHBondContact CB-OH 3.31Å; L616-Y637 HydrophobicContact CB-CD1 3.74Å; L616-Y637 HydrophobicContact CB-CE1 3.98Å; L616-Y637 HydrophobicContact CD1-CD1 3.75Å; L616-Y637 HydrophobicContact CD1-CG 4.13Å; L616-Y637 HydrophobicContact CG-CD1 4.25Å; W619-Y637 AromaticContact CD1-CE2 3.91Å; W619-Y637 AromaticContact CD1-CZ 3.82Å; W619-Y637 AromaticContact NE1-CE2 3.82Å; W619-Y637 AromaticContact NE1-CZ 3.86Å; K633-Y637 WeakPolarHBondContact O-CB 3.46Å; K633-Y637 WeakPolarHBondContact O-CD2 3.07Å; K633-Y637 PolarHBondContact O-N 3.33Å; L634-Y637 PolarHBondContact O-N 3.28Å; G635-Y637 PolarHBondContact O-N 3.45Å; Y637-F639 VanDerWaalsContact C-N 3.35Å; Y637-G641 WeakPolarHBondContact O-CA 3.39Å; Y637-G641 PolarHBondContact O-N 3.03Å; Y637-Y642 VanDerWaalsContact CD1-O 3.31Å; Y637-Y642 WeakPolarHBondContact CD1-O 3.37Å; Y637-Y642 AromaticContact CD2-CD2 3.93Å; Y637-Y642 HydrophobicContact CD2-CD2 3.93Å; Y637-Y642 HydrophobicContact CE2-CD2 4.11Å; Y637-Y642 HydrophobicContact CG-CD2 4.3Å; Y637-Y642 PolarHBondContact O-N 3.43Å
638H96.8Very high94.4Very high32 Ų3244.7 Ų44.715%0.14823%0.233CC..Hα-helixtrans-70.2-30.6175.3-74-62.8000112.7L634 G635 D636 D647 A651 H654L634-H638 PolarHBondContact O-CD2 3.37Å; L634-H638 VanDerWaalsContact O-CD2 3.25Å; L634-H638 PolarHBondContact O-N 2.85Å; L634-H638 VanDerWaalsContact O-N 3.11Å; G635-H638 PolarHBondContact O-N 2.87Å; D636-H638 PolarHBondContact O-N 3.43Å; H638-D647 PolarHBondContact O-N 3.28Å; H638-A651 HydrophobicContact CB-CB 4.04Å; H638-H654 AromaticContact CD2-CD2 3.87Å
639F96.5Very high94.8Very high30 Ų3048.5 Ų48.513%0.13225%0.247CC..Hα-helixtrans-70.3-40.2176.8-177.4-85.8000113G635 D636 Y637 Y648 A651 Y673 M674 L679G635-F639 WeakPolarHBondContact O-CB 3.46Å; G635-F639 PolarHBondContact O-N 3.15Å; D636-F639 PolarHBondContact O-N 3.29Å; Y637-F639 VanDerWaalsContact C-N 3.35Å; F639-Y648 AromaticContact CD2-CD1 3.62Å; F639-Y648 HydrophobicContact CD2-CD1 3.62Å; F639-Y648 AromaticContact CD2-CE1 3.66Å; F639-Y648 HydrophobicContact CD2-CE1 3.66Å; F639-Y648 AromaticContact CE2-CD1 3.93Å; F639-Y648 HydrophobicContact CE2-CD1 3.93Å; F639-Y648 AromaticContact CE2-CE1 3.74Å; F639-Y648 HydrophobicContact CE2-CE1 3.74Å; F639-Y648 HydrophobicContact CG-CD1 4.3Å; F639-Y648 HydrophobicContact CG-CE1 4.09Å; F639-Y648 HydrophobicContact CZ-CE1 4.24Å; F639-Y648 WeakPolarHBondContact O-CE1 3.23Å; F639-A651 HydrophobicContact CB-CB 4.14Å; F639-Y673 HydrophobicContact CZ-CE1 4.2Å; F639-M674 HydrophobicContact CD2-CE 3.81Å; F639-M674 HydrophobicContact CD2-SD 4.23Å; F639-M674 HydrophobicContact CE2-CE 4.13Å; F639-M674 HydrophobicContact CE2-CG 4.32Å; F639-M674 HydrophobicContact CE2-SD 4.5Å; F639-L679 HydrophobicContact CE2-CD1 3.76Å; F639-L679 HydrophobicContact CZ-CD1 4.02Å
640Y95.3Very high95Very high132 Ų13249.3 Ų49.352%0.51825%0.252SS..Hα-helixtrans-94.4-16-179-68-65.4000114.2D636 Y642D636-Y640 HydrophobicContact CB-CD2 4.27Å; D636-Y640 HydrophobicContact CB-CE2 4.37Å; D636-Y640 WeakPolarHBondContact O-CD2 3.49Å; D636-Y640 PolarHBondContact O-N 3.27Å; Y640-Y642 VanDerWaalsContact CB-CZ 3.5Å; Y640-Y642 HydrophobicContact CD2-CD2 4.48Å; Y640-Y642 AromaticContact CD2-CE2 3.71Å; Y640-Y642 HydrophobicContact CD2-CE2 3.71Å; Y640-Y642 AromaticContact CG-CE2 3.89Å; Y640-Y642 HydrophobicContact CG-CE2 3.89Å; Y640-Y642 AromaticContact CG-CZ 3.84Å
641G94.1Very high95.1Very high24 Ų2449.3 Ų49.325%0.24725%0.252CS..THydrogen-bonded Turntrans78.937.1-175.300000113.3Y637 G643 T644Y637-G641 WeakPolarHBondContact O-CA 3.39Å; Y637-G641 PolarHBondContact O-N 3.03Å; G641-G643 PolarHBondContact O-N 3.03Å; G641-T644 CarbonylContact C-O 3.58Å; G641-T644 WeakPolarHBondContact CA-O 3.28Å
642Y92.3Very high95.2Very high86 Ų8648.5 Ų48.534%0.33725%0.251SS..SBendtrans-79.9109.8177.6-62-34.8000110.5Y612 Y637 Y640 T644Y612-Y642 HydrophobicContact CD1-CG 4.42Å; Y612-Y642 HydrophobicContact CE1-CG 4.46Å; Y637-Y642 VanDerWaalsContact CD1-O 3.31Å; Y637-Y642 WeakPolarHBondContact CD1-O 3.37Å; Y637-Y642 AromaticContact CD2-CD2 3.93Å; Y637-Y642 HydrophobicContact CD2-CD2 3.93Å; Y637-Y642 HydrophobicContact CE2-CD2 4.11Å; Y637-Y642 HydrophobicContact CG-CD2 4.3Å; Y637-Y642 PolarHBondContact O-N 3.43Å; Y640-Y642 VanDerWaalsContact CB-CZ 3.5Å; Y640-Y642 HydrophobicContact CD2-CD2 4.48Å; Y640-Y642 AromaticContact CD2-CE2 3.71Å; Y640-Y642 HydrophobicContact CD2-CE2 3.71Å; Y640-Y642 AromaticContact CG-CE2 3.89Å; Y640-Y642 HydrophobicContact CG-CE2 3.89Å; Y640-Y642 AromaticContact CG-CZ 3.84Å; Y642-T644 PolarHBondContact O-N 2.99Å; Y642-T644 VanDerWaalsContact O-N 3.09Å; Y642-T644 PolarHBondContact O-OG1 3.47Å
643G88.4Confident95.2Very high35 Ų3552.6 Ų52.636%0.36127%0.272SS..SBendtrans66.56.2-179.200000115.2G641G641-G643 PolarHBondContact O-N 3.03Å
644T94.1Very high95.2Very high50 Ų5052.7 Ų52.731%0.30727%0.273SS..SBendtrans-148.2163.1178.137.60000109.7L616 G641 Y642L616-T644 HydrophobicContact CD2-CG2 3.33Å; G641-T644 CarbonylContact C-O 3.58Å; G641-T644 WeakPolarHBondContact CA-O 3.28Å; Y642-T644 PolarHBondContact O-N 2.99Å; Y642-T644 VanDerWaalsContact O-N 3.09Å; Y642-T644 PolarHBondContact O-OG1 3.47Å
645D94.6Very high95.2Very high150 Ų15052.7 Ų52.780%0.80227%0.272SS*.  trans-66.1151.5170.6-59.7-56000111.2D647D645-D647 PolarHBondContact O-N 3.44Å
646V96.6Very high95.1Very high78 Ų7859.2 Ų59.247%0.47330%0.297SS..  trans-65.6117.3178.3177.50000110.1Y648V646-Y648 HydrophobicContact CG1-CD1 4.39Å; V646-Y648 HydrophobicContact CG1-CD2 4.5Å; V646-Y648 HydrophobicContact CG1-CE1 3.8Å; V646-Y648 HydrophobicContact CG1-CE2 3.93Å
647D96.5Very high95Very high57 Ų5761 Ų6131%0.30531%0.306SS..  trans-136.2102.5178.7177.58.8000110.8H638 D645 E649 T650 A651H638-D647 PolarHBondContact O-N 3.28Å; D645-D647 PolarHBondContact O-N 3.44Å; D647-E649 VanDerWaalsContact C-N 3.32Å; D647-E649 PolarHBondContact O-N 3.47Å; D647-E649 WeakPolarHBondContact OD1-CB 3.46Å; D647-E649 PolarHBondContact OD1-N 2.97Å; D647-T650 WeakPolarHBondContact CB-OG1 3.44Å; D647-T650 PolarHBondContact O-OG1 3.19Å; D647-T650 PolarHBondContact OD1-N 3.3Å; D647-T650 WeakPolarHBondContact OD2-CB 3.26Å; D647-T650 WeakPolarHBondContact OD2-CG2 3.48Å; D647-T650 PolarHBondContact OD2-OG1 2.94Å; D647-A651 WeakPolarHBondContact O-CB 3.14Å; D647-A651 PolarHBondContact O-N 2.9Å
648Y96.7Very high94.8Very high82 Ų8261 Ų6132%0.32231%0.306SS..Hα-helixtrans-73.1-22.2178.3-59.3-55.2000113.4F639 V646 V652 M674 L679F639-Y648 AromaticContact CD2-CD1 3.62Å; F639-Y648 HydrophobicContact CD2-CD1 3.62Å; F639-Y648 AromaticContact CD2-CE1 3.66Å; F639-Y648 HydrophobicContact CD2-CE1 3.66Å; F639-Y648 AromaticContact CE2-CD1 3.93Å; F639-Y648 HydrophobicContact CE2-CD1 3.93Å; F639-Y648 AromaticContact CE2-CE1 3.74Å; F639-Y648 HydrophobicContact CE2-CE1 3.74Å; F639-Y648 HydrophobicContact CG-CD1 4.3Å; F639-Y648 HydrophobicContact CG-CE1 4.09Å; F639-Y648 HydrophobicContact CZ-CE1 4.24Å; F639-Y648 WeakPolarHBondContact O-CE1 3.23Å; V646-Y648 HydrophobicContact CG1-CD1 4.39Å; V646-Y648 HydrophobicContact CG1-CD2 4.5Å; V646-Y648 HydrophobicContact CG1-CE1 3.8Å; V646-Y648 HydrophobicContact CG1-CE2 3.93Å; Y648-V652 VanDerWaalsContact O-CG2 3.29Å; Y648-V652 WeakPolarHBondContact O-CG2 3.47Å; Y648-V652 PolarHBondContact O-N 2.9Å; Y648-V652 VanDerWaalsContact O-N 3.09Å; Y648-M674 HydrophobicContact CD1-CE 3.99Å; Y648-M674 HydrophobicContact CG-CE 4.32Å; Y648-L679 HydrophobicContact CD1-CB 4.29Å; Y648-L679 HydrophobicContact CD2-CB 4.37Å; Y648-L679 HydrophobicContact CD2-CD2 4.34Å; Y648-L679 HydrophobicContact CE2-CD2 4.09Å; Y648-L679 HydrophobicContact CG-CB 4.09Å
649E96Very high94.5Very high136 Ų13659.7 Ų59.764%0.63630%0.301SS*.Hα-helixtrans-72.9-46.2-179.3-61.8-168.7178.500110.4D647 V652 I653D647-E649 VanDerWaalsContact C-N 3.32Å; D647-E649 PolarHBondContact O-N 3.47Å; D647-E649 WeakPolarHBondContact OD1-CB 3.46Å; D647-E649 PolarHBondContact OD1-N 2.97Å; E649-V652 PolarHBondContact O-N 3.12Å; E649-I653 WeakPolarHBondContact O-CG1 3.43Å; E649-I653 PolarHBondContact O-N 2.99Å; E649-I653 VanDerWaalsContact O-N 3.17Å
650T95.7Very high94.1Very high39 Ų3963.8 Ų63.824%0.23932%0.32CS..Hα-helixtrans-67.6-37.5173.4490000112.5D647 V652 I653 H654D647-T650 WeakPolarHBondContact CB-OG1 3.44Å; D647-T650 PolarHBondContact O-OG1 3.19Å; D647-T650 PolarHBondContact OD1-N 3.3Å; D647-T650 WeakPolarHBondContact OD2-CB 3.26Å; D647-T650 WeakPolarHBondContact OD2-CG2 3.48Å; D647-T650 PolarHBondContact OD2-OG1 2.94Å; T650-V652 VanDerWaalsContact C-N 3.33Å; T650-V652 PolarHBondContact O-N 2.87Å; T650-I653 WeakPolarHBondContact O-CB 3.5Å; T650-I653 PolarHBondContact O-N 3.06Å; T650-I653 VanDerWaalsContact O-N 3.12Å; T650-H654 PolarHBondContact O-CD2 3.36Å; T650-H654 PolarHBondContact O-N 2.62Å
651A97Very high93.5Very high0 Ų063.3 Ų63.30%032%0.323CS..Hα-helixtrans-56.4-45.9173.600000112.2G635 H638 F639 D647 I653 H654 Y655 M674G635-A651 WeakPolarHBondContact O-CB 3.5Å; H638-A651 HydrophobicContact CB-CB 4.04Å; F639-A651 HydrophobicContact CB-CB 4.14Å; D647-A651 WeakPolarHBondContact O-CB 3.14Å; D647-A651 PolarHBondContact O-N 2.9Å; A651-I653 VanDerWaalsContact C-N 3.34Å; A651-I653 PolarHBondContact O-N 2.99Å; A651-H654 PolarHBondContact O-N 3.48Å; A651-Y655 HydrophobicContact CB-CE2 4.16Å; A651-Y655 WeakPolarHBondContact O-CD2 3.44Å; A651-Y655 PolarHBondContact O-N 3.48Å; A651-M674 HydrophobicContact CB-CE 4.19Å
652V96.1Very high92.8Very high16 Ų1664.6 Ų64.610%0.09732%0.323CS..Hα-helixtrans-60.4-42.2174.7169.40000111.8Y648 E649 T650 H654 Y655 R656 L671 M674 I681Y648-V652 VanDerWaalsContact O-CG2 3.29Å; Y648-V652 WeakPolarHBondContact O-CG2 3.47Å; Y648-V652 PolarHBondContact O-N 2.9Å; Y648-V652 VanDerWaalsContact O-N 3.09Å; E649-V652 PolarHBondContact O-N 3.12Å; T650-V652 VanDerWaalsContact C-N 3.33Å; T650-V652 PolarHBondContact O-N 2.87Å; V652-H654 VanDerWaalsContact C-N 3.32Å; V652-H654 PolarHBondContact O-N 3.35Å; V652-Y655 PolarHBondContact O-N 3.13Å; V652-R656 WeakPolarHBondContact O-CB 3.4Å; V652-R656 PolarHBondContact O-N 3.13Å; V652-L671 HydrophobicContact CG1-CD2 4.14Å; V652-M674 HydrophobicContact CG2-CB 4.35Å; V652-M674 HydrophobicContact CG2-CE 3.48Å; V652-M674 VanDerWaalsContact CG2-CE 3.48Å; V652-M674 HydrophobicContact CG2-SD 3.57Å; V652-M674 VanDerWaalsContact CG2-SD 3.57Å; V652-I681 HydrophobicContact CB-CG2 4.36Å; V652-I681 HydrophobicContact CG1-CD1 4.31Å; V652-I681 HydrophobicContact CG1-CG2 3.79Å; V652-I681 HydrophobicContact CG2-CD1 3.92Å; V652-I681 HydrophobicContact CG2-CG1 4.38Å; V652-I681 HydrophobicContact CG2-CG2 4.05Å
653I94.4Very high92.4Very high94 Ų9466 Ų6648%0.48234%0.336SS..Hα-helixtrans-59.4-44.9177.5-68166.4000110.4E649 T650 A651 R656 L657E649-I653 WeakPolarHBondContact O-CG1 3.43Å; E649-I653 PolarHBondContact O-N 2.99Å; E649-I653 VanDerWaalsContact O-N 3.17Å; T650-I653 WeakPolarHBondContact O-CB 3.5Å; T650-I653 PolarHBondContact O-N 3.06Å; T650-I653 VanDerWaalsContact O-N 3.12Å; A651-I653 VanDerWaalsContact C-N 3.34Å; A651-I653 PolarHBondContact O-N 2.99Å; I653-R656 PolarHBondContact O-N 3.48Å; I653-L657 HydrophobicContact CG2-CD1 3.88Å; I653-L657 HydrophobicContact CG2-CG 4.5Å; I653-L657 WeakPolarHBondContact O-CB 3.3Å; I653-L657 VanDerWaalsContact O-CG 3.23Å; I653-L657 WeakPolarHBondContact O-CG 3.2Å; I653-L657 PolarHBondContact O-N 2.88Å
654H95.3Very high92.4Very high41 Ų4165.1 Ų65.119%0.1933%0.327CS..Hα-helixtrans-65.2-48.7178.8-76.2-64000112.9R631 L634 H638 T650 A651 V652 R656 L657 A658R631-H654 HydrophobicContact CG-CB 4.48Å; L634-H654 HydrophobicContact CB-CB 4.43Å; H638-H654 AromaticContact CD2-CD2 3.87Å; T650-H654 PolarHBondContact O-CD2 3.36Å; T650-H654 PolarHBondContact O-N 2.62Å; A651-H654 PolarHBondContact O-N 3.48Å; V652-H654 VanDerWaalsContact C-N 3.32Å; V652-H654 PolarHBondContact O-N 3.35Å; H654-R656 VanDerWaalsContact C-N 3.34Å; H654-R656 PolarHBondContact O-N 2.9Å; H654-L657 PolarHBondContact O-N 3.26Å; H654-A658 PolarHBondContact O-N 3.38Å
655Y95.8Very high92.3Very high4 Ų463.5 Ų63.52%0.01632%0.319CS..Hα-helixtrans-63.3-39.8176.2-59.9-51.8000112.2I632 G635 D636 A651 V652 L657 A658 S659 N670 M674I632-Y655 HydrophobicContact CG2-CD1 4.32Å; I632-Y655 HydrophobicContact CG2-CE1 4.08Å; G635-Y655 VanDerWaalsContact C-CZ 3.43Å; G635-Y655 PolarHBondContact O-OH 2.91Å; D636-Y655 WeakPolarHBondContact CA-OH 3.32Å; D636-Y655 PolarHBondContact N-OH 3.22Å; D636-Y655 PolarHBondContact OD1-OH 3.26Å; A651-Y655 HydrophobicContact CB-CE2 4.16Å; A651-Y655 WeakPolarHBondContact O-CD2 3.44Å; A651-Y655 PolarHBondContact O-N 3.48Å; V652-Y655 PolarHBondContact O-N 3.13Å; Y655-L657 PolarHBondContact O-N 2.93Å; Y655-A658 PolarHBondContact O-N 3.26Å; Y655-S659 WeakPolarHBondContact O-CB 3.35Å; Y655-S659 PolarHBondContact O-N 2.94Å; Y655-N670 HydrophobicContact CD1-CB 4.06Å; Y655-N670 HydrophobicContact CD2-CB 4.13Å; Y655-N670 HydrophobicContact CE1-CB 3.96Å; Y655-N670 WeakPolarHBondContact CE1-ND2 3.4Å; Y655-N670 HydrophobicContact CE2-CB 4.04Å; Y655-N670 HydrophobicContact CG-CB 4.14Å; Y655-N670 PolarHBondContact OH-ND2 2.93Å; Y655-M674 HydrophobicContact CD2-SD 3.64Å; Y655-M674 HydrophobicContact CE2-SD 3.59Å; Y655-M674 VanDerWaalsContact CE2-SD 3.59Å
656R93.6Very high92.2Very high137 Ų13760.3 Ų60.352%0.51730%0.299SS..Hα-helixtrans-60.3-46.2176.7-177.7176.5179.3163.86.7111.6V652 I653 H654 A658 S659 E660 L671V652-R656 WeakPolarHBondContact O-CB 3.4Å; V652-R656 PolarHBondContact O-N 3.13Å; I653-R656 PolarHBondContact O-N 3.48Å; H654-R656 VanDerWaalsContact C-N 3.34Å; H654-R656 PolarHBondContact O-N 2.9Å; R656-A658 VanDerWaalsContact C-N 3.32Å; R656-A658 PolarHBondContact O-N 2.98Å; R656-S659 PolarHBondContact O-N 3.35Å; R656-E660 HydrophobicContact CG-CG 4.24Å; R656-E660 IonicContact CZ-OE1 2.67Å; R656-E660 VanDerWaalsContact CZ-OE1 3.23Å; R656-E660 IonicContact NE-OE1 2.91Å; R656-E660 PolarHBondContact NE-OE1 3.26Å; R656-E660 IonicContact NE-OE2 3.31Å; R656-E660 IonicContact NH2-OE1 3.22Å; R656-E660 PolarHBondContact NH2-OE1 3.16Å; R656-E660 WeakPolarHBondContact O-CB 3.5Å; R656-E660 WeakPolarHBondContact O-CG 3.48Å; R656-E660 PolarHBondContact O-N 2.88Å; R656-L671 HydrophobicContact CB-CD2 4.35Å
657L92.6Very high92.1Very high56 Ų5656.6 Ų56.629%0.29328%0.276SS..Hα-helixtrans-64-36.1176.7-72.7169.5000112.3I653 H654 Y655 Q661I653-L657 HydrophobicContact CG2-CD1 3.88Å; I653-L657 HydrophobicContact CG2-CG 4.5Å; I653-L657 WeakPolarHBondContact O-CB 3.3Å; I653-L657 VanDerWaalsContact O-CG 3.23Å; I653-L657 WeakPolarHBondContact O-CG 3.2Å; I653-L657 PolarHBondContact O-N 2.88Å; H654-L657 PolarHBondContact O-N 3.26Å; Y655-L657 PolarHBondContact O-N 2.93Å; L657-Q661 VanDerWaalsContact O-CB 3.27Å; L657-Q661 WeakPolarHBondContact O-CB 3.28Å; L657-Q661 WeakPolarHBondContact O-CG 3.33Å; L657-Q661 PolarHBondContact O-N 3.44Å; L657-Q661 VanDerWaalsContact O-N 3.16Å
658A93.1Very high92.1Very high1 Ų154.2 Ų54.21%0.00826%0.264CS..Hα-helixtrans-72.3-33.4174.600000112.8R631 I632 H654 Y655 R656 Q662 N663 G664 A667R631-A658 HydrophobicContact CB-CB 4.4Å; R631-A658 HydrophobicContact CG-CB 4.31Å; I632-A658 HydrophobicContact CG1-CB 3.94Å; H654-A658 PolarHBondContact O-N 3.38Å; Y655-A658 PolarHBondContact O-N 3.26Å; R656-A658 VanDerWaalsContact C-N 3.32Å; R656-A658 PolarHBondContact O-N 2.98Å; A658-Q662 CarbonylContact O-C 3.57Å; A658-Q662 WeakPolarHBondContact O-CB 3.42Å; A658-Q662 PolarHBondContact O-N 2.87Å; A658-N663 PolarHBondContact O-N 3.47Å; A658-G664 PolarHBondContact O-N 3.49Å; A658-A667 HydrophobicContact CB-CB 3.75Å
659S90.9Very high92Very high6 Ų653 Ų534%0.04226%0.26CS..Hα-helixtrans-69.9-50.5173.8173.90000111.9Y655 R656 N663 M668Y655-S659 WeakPolarHBondContact O-CB 3.35Å; Y655-S659 PolarHBondContact O-N 2.94Å; R656-S659 PolarHBondContact O-N 3.35Å; S659-N663 WeakPolarHBondContact O-CA 3.36Å; S659-N663 PolarHBondContact O-N 3.42Å; S659-M668 VanDerWaalsContact OG-CG 3.32Å; S659-M668 WeakPolarHBondContact OG-CG 3.26Å
660E87.8Confident92Very high115 Ų11547.9 Ų47.954%0.53724%0.237SC..Hα-helixtrans-76.1-34.8-172.3-71.8-180169.300113.4R656R656-E660 HydrophobicContact CG-CG 4.24Å; R656-E660 IonicContact CZ-OE1 2.67Å; R656-E660 VanDerWaalsContact CZ-OE1 3.23Å; R656-E660 IonicContact NE-OE1 2.91Å; R656-E660 PolarHBondContact NE-OE1 3.26Å; R656-E660 IonicContact NE-OE2 3.31Å; R656-E660 IonicContact NH2-OE1 3.22Å; R656-E660 PolarHBondContact NH2-OE1 3.16Å; R656-E660 WeakPolarHBondContact O-CB 3.5Å; R656-E660 WeakPolarHBondContact O-CG 3.48Å; R656-E660 PolarHBondContact O-N 2.88Å
661Q82.6Confident92Very high123 Ų12346.2 Ų46.258%0.57523%0.227SC*.Hα-helixtrans-93.8-23.8-174.7-59.8-176.6-6.500113.6L657L657-Q661 VanDerWaalsContact O-CB 3.27Å; L657-Q661 WeakPolarHBondContact O-CB 3.28Å; L657-Q661 WeakPolarHBondContact O-CG 3.33Å; L657-Q661 PolarHBondContact O-N 3.44Å; L657-Q661 VanDerWaalsContact O-N 3.16Å
662Q78.4Confident91.9Very high51 Ų5146.2 Ų46.224%0.23823%0.227CC..Hα-helixtrans-135.81.2-162.5-65.4159.9-21.900113.4G626 T628 A658 G664G626-Q662 PolarHBondContact O-NE2 3.43Å; T628-Q662 HydrophobicContact CG2-CB 3.78Å; T628-Q662 VanDerWaalsContact CG2-CD 3.44Å; T628-Q662 HydrophobicContact CG2-CG 3.63Å; A658-Q662 CarbonylContact O-C 3.57Å; A658-Q662 WeakPolarHBondContact O-CB 3.42Å; A658-Q662 PolarHBondContact O-N 2.87Å; Q662-G664 PolarHBondContact O-N 3.42Å; Q662-G664 VanDerWaalsContact O-N 3.15Å
663N84.7Confident91.9Very high114 Ų11449.6 Ų49.661%0.6124%0.238SC*.  trans51.731.6179.3-63.9-19.8000115A658 S659 A665 M668A658-N663 PolarHBondContact O-N 3.47Å; S659-N663 WeakPolarHBondContact O-CA 3.36Å; S659-N663 PolarHBondContact O-N 3.42Å; N663-A665 PolarHBondContact O-N 2.85Å; N663-M668 HydrophobicContact CB-CE 4.16Å
664G88.3Confident91.9Very high17 Ų1745.1 Ų45.118%0.17522%0.215CC..  trans-67.2112.9-177.800000112.9A658 Q662 Q666 A667 M668A658-G664 PolarHBondContact O-N 3.49Å; Q662-G664 PolarHBondContact O-N 3.42Å; Q662-G664 VanDerWaalsContact O-N 3.15Å; G664-Q666 PolarHBondContact O-N 2.9Å; G664-A667 WeakPolarHBondContact O-CB 3.08Å; G664-A667 PolarHBondContact O-N 2.8Å; G664-M668 PolarHBondContact O-N 2.74Å
665A91.9Very high91.9Very high16 Ų1644.3 Ų44.313%0.13221%0.212CC..Hα-helixtrans-58.1-42.3-178.700000113.1N663 A667 M668 F669 A698 A702N663-A665 PolarHBondContact O-N 2.85Å; A665-A667 VanDerWaalsContact C-N 3.33Å; A665-A667 PolarHBondContact O-N 3.38Å; A665-M668 PolarHBondContact O-N 3.09Å; A665-F669 PolarHBondContact O-N 3.29Å; A665-A698 HydrophobicContact CB-CB 3.99Å; A665-A702 HydrophobicContact CB-CB 4.12Å
666Q92.9Very high91.9Very high84 Ų8444.5 Ų44.539%0.39321%0.212SC..Hα-helixtrans-62.2-38.1174.4-177.8-175.7-1.400112.2I632 G664 F669 N670I632-Q666 HydrophobicContact CD1-CB 4.23Å; I632-Q666 HydrophobicContact CG2-CG 4.14Å; G664-Q666 PolarHBondContact O-N 2.9Å; Q666-F669 PolarHBondContact O-N 3.07Å; Q666-N670 WeakPolarHBondContact O-CB 3.32Å; Q666-N670 PolarHBondContact O-N 3.09Å; Q666-N670 PolarHBondContact O-OD1 2.85Å
667A94.6Very high91.8Very high0 Ų042.2 Ų42.20%021%0.206CC..Hα-helixtrans-66.4-40.4176.600000111.7I632 A658 G664 A665 N670 L671I632-A667 HydrophobicContact CD1-CB 4.01Å; I632-A667 HydrophobicContact CG1-CB 4.06Å; A658-A667 HydrophobicContact CB-CB 3.75Å; G664-A667 WeakPolarHBondContact O-CB 3.08Å; G664-A667 PolarHBondContact O-N 2.8Å; A665-A667 VanDerWaalsContact C-N 3.33Å; A665-A667 PolarHBondContact O-N 3.38Å; A667-N670 PolarHBondContact O-N 3Å; A667-L671 VanDerWaalsContact O-CG 3.3Å; A667-L671 WeakPolarHBondContact O-CG 3.26Å; A667-L671 PolarHBondContact O-N 3.39Å
668M95.2Very high91.9Very high7 Ų740.9 Ų40.93%0.03421%0.207CC..Hα-helixtrans-62.9-44173.2-66.3177-164.600111.5S659 N663 G664 A665 L671 G672 M694 A695 A698S659-M668 VanDerWaalsContact OG-CG 3.32Å; S659-M668 WeakPolarHBondContact OG-CG 3.26Å; N663-M668 HydrophobicContact CB-CE 4.16Å; G664-M668 PolarHBondContact O-N 2.74Å; A665-M668 PolarHBondContact O-N 3.09Å; M668-L671 PolarHBondContact O-N 2.87Å; M668-G672 PolarHBondContact O-N 3.46Å; M668-M694 HydrophobicContact CE-CE 4.43Å; M668-M694 HydrophobicContact SD-CB 3.83Å; M668-M694 HydrophobicContact SD-CE 4.27Å; M668-A695 HydrophobicContact CB-CB 3.84Å; M668-A698 HydrophobicContact CE-CB 4.38Å; M668-A698 HydrophobicContact SD-CB 4.12Å
669F95.6Very high92Very high55 Ų5542.9 Ų42.924%0.24122%0.217CC..Hα-helixtrans-60.6-46.3176-172.5-88.1000111.9A665 Q666 L671 G672 Y673 Y692 A695 P705 V706 A709A665-F669 PolarHBondContact O-N 3.29Å; Q666-F669 PolarHBondContact O-N 3.07Å; F669-L671 PolarHBondContact O-N 3.21Å; F669-G672 PolarHBondContact O-N 2.88Å; F669-Y673 PolarHBondContact O-N 2.96Å; F669-Y692 AromaticContact CD2-CD1 3.79Å; F669-Y692 HydrophobicContact CD2-CD1 3.79Å; F669-Y692 AromaticContact CD2-CE1 3.94Å; F669-Y692 HydrophobicContact CD2-CE1 3.94Å; F669-Y692 HydrophobicContact CE2-CD1 4.02Å; F669-Y692 AromaticContact CE2-CE1 3.91Å; F669-Y692 HydrophobicContact CE2-CE1 3.91Å; F669-Y692 HydrophobicContact CG-CD1 4.41Å; F669-Y692 HydrophobicContact CG-CE1 4.32Å; F669-Y692 HydrophobicContact CZ-CE1 4.27Å; F669-A695 HydrophobicContact CB-CB 4.35Å; F669-P705 HydrophobicContact CE2-CB 4.11Å; F669-P705 HydrophobicContact CZ-CB 4.48Å; F669-V706 HydrophobicContact CD2-CG2 3.91Å; F669-V706 HydrophobicContact CE2-CG2 4.32Å; F669-A709 HydrophobicContact CE2-CB 3.88Å; F669-A709 HydrophobicContact CZ-CB 4.12Å
670N95.9Very high92Very high30 Ų3044.1 Ų44.116%0.1623%0.231CC..Hα-helixtrans-62.8-41.6177.3-73.47.7000111.7D636 Y655 Q666 A667 G672 Y673 M674D636-N670 PolarHBondContact OD1-ND2 2.91Å; Y655-N670 HydrophobicContact CD1-CB 4.06Å; Y655-N670 HydrophobicContact CD2-CB 4.13Å; Y655-N670 HydrophobicContact CE1-CB 3.96Å; Y655-N670 WeakPolarHBondContact CE1-ND2 3.4Å; Y655-N670 HydrophobicContact CE2-CB 4.04Å; Y655-N670 HydrophobicContact CG-CB 4.14Å; Y655-N670 PolarHBondContact OH-ND2 2.93Å; Q666-N670 WeakPolarHBondContact O-CB 3.32Å; Q666-N670 PolarHBondContact O-N 3.09Å; Q666-N670 PolarHBondContact O-OD1 2.85Å; A667-N670 PolarHBondContact O-N 3Å; N670-G672 PolarHBondContact O-N 2.96Å; N670-Y673 WeakPolarHBondContact O-CB 3.4Å; N670-Y673 PolarHBondContact O-N 3.48Å; N670-M674 WeakPolarHBondContact O-CG 3.45Å; N670-M674 PolarHBondContact O-N 3.48Å
671L95Very high92.3Very high3 Ų340.7 Ų40.72%0.01622%0.216CC..Hα-helixtrans-61.6-41.7172-73165.5000112.5V652 R656 A667 M668 F669 Y673 M674 H675 F691V652-L671 HydrophobicContact CG1-CD2 4.14Å; R656-L671 HydrophobicContact CB-CD2 4.35Å; A667-L671 VanDerWaalsContact O-CG 3.3Å; A667-L671 WeakPolarHBondContact O-CG 3.26Å; A667-L671 PolarHBondContact O-N 3.39Å; M668-L671 PolarHBondContact O-N 2.87Å; F669-L671 PolarHBondContact O-N 3.21Å; L671-Y673 VanDerWaalsContact C-N 3.31Å; L671-Y673 PolarHBondContact O-N 3.45Å; L671-M674 PolarHBondContact O-N 3.3Å; L671-H675 WeakPolarHBondContact O-CB 3Å; L671-H675 PolarHBondContact O-CD2 2.81Å; L671-H675 PolarHBondContact O-N 3.48Å; L671-F691 HydrophobicContact CB-CD1 4.34Å; L671-F691 HydrophobicContact CB-CD2 4.27Å; L671-F691 HydrophobicContact CB-CE2 4.44Å; L671-F691 HydrophobicContact CB-CG 4.22Å; L671-F691 HydrophobicContact CD1-CD1 4.43Å; L671-F691 HydrophobicContact CD1-CE1 4.03Å; L671-F691 HydrophobicContact CD1-CZ 4.29Å
672G95.1Very high92.9Very high0 Ų043.9 Ų43.90%023%0.227CC..Hα-helixtrans-56.8-45.8174.400000111.6M668 F669 N670 H675 E676 A688M668-G672 PolarHBondContact O-N 3.46Å; F669-G672 PolarHBondContact O-N 2.88Å; N670-G672 PolarHBondContact O-N 2.96Å; G672-H675 PolarHBondContact O-N 3.5Å; G672-E676 WeakPolarHBondContact O-CB 3.33Å; G672-E676 PolarHBondContact O-N 3.34Å; G672-A688 VanDerWaalsContact O-CB 3.27Å; G672-A688 WeakPolarHBondContact O-CB 3.13Å
673Y95.2Very high93.7Very high87 Ų8747 Ų4734%0.34124%0.242SC..Hα-helixtrans-63.6-43.5175-177.3-89.5000113F639 F669 N670 L671 H675 E676 K677 L679 Y692F639-Y673 HydrophobicContact CZ-CE1 4.2Å; F669-Y673 PolarHBondContact O-N 2.96Å; N670-Y673 WeakPolarHBondContact O-CB 3.4Å; N670-Y673 PolarHBondContact O-N 3.48Å; L671-Y673 VanDerWaalsContact C-N 3.31Å; L671-Y673 PolarHBondContact O-N 3.45Å; Y673-H675 VanDerWaalsContact C-N 3.34Å; Y673-H675 PolarHBondContact O-N 2.94Å; Y673-E676 WeakPolarHBondContact O-CB 3.35Å; Y673-E676 PolarHBondContact O-N 3.21Å; Y673-K677 HydrophobicContact CD1-CG 4.35Å; Y673-K677 HydrophobicContact CE1-CG 3.9Å; Y673-K677 HydrophobicContact CE2-CG 4.3Å; Y673-K677 PolarHBondContact O-N 3.08Å; Y673-L679 HydrophobicContact CE1-CD1 4.05Å; Y673-Y692 WeakPolarHBondContact CA-OH 3.38Å; Y673-Y692 PolarHBondContact N-OH 3.29Å
674M96Very high94.1Very high1 Ų144.7 Ų44.71%0.00523%0.23CC..Hα-helixtrans-66-35.4178.1-66.6-175.190.100112.1F639 Y648 A651 V652 Y655 N670 L671 G678 L679 I681F639-M674 HydrophobicContact CD2-CE 3.81Å; F639-M674 HydrophobicContact CD2-SD 4.23Å; F639-M674 HydrophobicContact CE2-CE 4.13Å; F639-M674 HydrophobicContact CE2-CG 4.32Å; F639-M674 HydrophobicContact CE2-SD 4.5Å; Y648-M674 HydrophobicContact CD1-CE 3.99Å; Y648-M674 HydrophobicContact CG-CE 4.32Å; A651-M674 HydrophobicContact CB-CE 4.19Å; V652-M674 HydrophobicContact CG2-CB 4.35Å; V652-M674 HydrophobicContact CG2-CE 3.48Å; V652-M674 VanDerWaalsContact CG2-CE 3.48Å; V652-M674 HydrophobicContact CG2-SD 3.57Å; V652-M674 VanDerWaalsContact CG2-SD 3.57Å; Y655-M674 HydrophobicContact CD2-SD 3.64Å; Y655-M674 HydrophobicContact CE2-SD 3.59Å; Y655-M674 VanDerWaalsContact CE2-SD 3.59Å; N670-M674 WeakPolarHBondContact O-CG 3.45Å; N670-M674 PolarHBondContact O-N 3.48Å; L671-M674 PolarHBondContact O-N 3.3Å; M674-G678 WeakPolarHBondContact O-CA 3.45Å; M674-G678 PolarHBondContact O-N 3.5Å; M674-L679 HydrophobicContact CE-CB 4.09Å; M674-L679 WeakPolarHBondContact CE-O 3.44Å; M674-L679 PolarHBondContact O-N 3.39Å; M674-L679 VanDerWaalsContact O-N 3.16Å; M674-I681 HydrophobicContact CB-CD1 3.96Å
675H95.3Very high94.2Very high24 Ų2446.5 Ų46.511%0.11124%0.235CC..Hα-helixtrans-71-34.2171.2-84-67.2000113.4L671 G672 Y673 K677 I681 Q683 D684 L687 A688 F691L671-H675 WeakPolarHBondContact O-CB 3Å; L671-H675 PolarHBondContact O-CD2 2.81Å; L671-H675 PolarHBondContact O-N 3.48Å; G672-H675 PolarHBondContact O-N 3.5Å; Y673-H675 VanDerWaalsContact C-N 3.34Å; Y673-H675 PolarHBondContact O-N 2.94Å; H675-K677 VanDerWaalsContact C-N 3.33Å; H675-I681 HydrophobicContact CB-CD1 4.49Å; H675-Q683 WeakPolarHBondContact O-CA 3.31Å; H675-Q683 WeakPolarHBondContact O-CG 3.45Å; H675-D684 PolarHBondContact O-N 3.23Å; H675-L687 WeakPolarHBondContact CE1-CD2 3.27Å; H675-A688 HydrophobicContact CB-CB 3.84Å; H675-F691 AromaticContact CD2-CD2 3.67Å; H675-F691 AromaticContact CD2-CE2 3.57Å; H675-F691 AromaticContact NE2-CE2 3.6Å
676E94.3Very high94.2Very high7 Ų753.2 Ų53.23%0.03326%0.263CS..Hα-helixtrans-62-41.7172.9-178.5-163129.300111G672 Y673 Q683 A688 Y692 K712 L713G672-E676 WeakPolarHBondContact O-CB 3.33Å; G672-E676 PolarHBondContact O-N 3.34Å; Y673-E676 WeakPolarHBondContact O-CB 3.35Å; Y673-E676 PolarHBondContact O-N 3.21Å; E676-Q683 WeakPolarHBondContact O-CG 3.49Å; E676-Q683 PolarHBondContact O-NE2 3.31Å; E676-A688 HydrophobicContact CB-CB 4.22Å; E676-Y692 PolarHBondContact OE2-OH 3.4Å; E676-K712 IonicContact OE1-NZ 3.73Å; E676-K712 PolarHBondContact OE1-NZ 3.32Å; E676-K712 IonicContact OE2-NZ 2.82Å; E676-K712 PolarHBondContact OE2-NZ 3.27Å; E676-L713 HydrophobicContact CG-CD1 3.84Å
677K93.3Very high94.2Very high89 Ų8951.7 Ų51.739%0.38726%0.257SS..Hα-helixtrans-93.8-20.8-174.5-63.7-50.9-170.9-156.20115Y673 H675 L679Y673-K677 HydrophobicContact CD1-CG 4.35Å; Y673-K677 HydrophobicContact CE1-CG 3.9Å; Y673-K677 HydrophobicContact CE2-CG 4.3Å; Y673-K677 PolarHBondContact O-N 3.08Å; H675-K677 VanDerWaalsContact C-N 3.33Å; K677-L679 HydrophobicContact CB-CD1 3.92Å; K677-L679 HydrophobicContact CB-CG 3.76Å; K677-L679 HydrophobicContact CG-CD1 4.47Å
678G94.4Very high94.2Very high29 Ų2951.7 Ų51.730%0.29926%0.257SS..THydrogen-bonded Turntrans72.536.2-172.900000113.4M674 I681M674-G678 WeakPolarHBondContact O-CA 3.45Å; M674-G678 PolarHBondContact O-N 3.5Å; G678-I681 CarbonylContact C-O 3.57Å; G678-I681 WeakPolarHBondContact CA-O 3.43Å
679L94.4Very high94.2Very high43 Ų4355.9 Ų55.923%0.22528%0.275CS..SBendtrans-89.1115.4179.5-63.4172.3000109.5F639 Y648 Y673 M674 K677 I681F639-L679 HydrophobicContact CE2-CD1 3.76Å; F639-L679 HydrophobicContact CZ-CD1 4.02Å; Y648-L679 HydrophobicContact CD1-CB 4.29Å; Y648-L679 HydrophobicContact CD2-CB 4.37Å; Y648-L679 HydrophobicContact CD2-CD2 4.34Å; Y648-L679 HydrophobicContact CE2-CD2 4.09Å; Y648-L679 HydrophobicContact CG-CB 4.09Å; Y673-L679 HydrophobicContact CE1-CD1 4.05Å; M674-L679 HydrophobicContact CE-CB 4.09Å; M674-L679 WeakPolarHBondContact CE-O 3.44Å; M674-L679 PolarHBondContact O-N 3.39Å; M674-L679 VanDerWaalsContact O-N 3.16Å; K677-L679 HydrophobicContact CB-CD1 3.92Å; K677-L679 HydrophobicContact CB-CG 3.76Å; K677-L679 HydrophobicContact CG-CD1 4.47Å; L679-I681 PolarHBondContact O-N 3.25Å
680G91.4Very high94.2Very high32 Ų3260.7 Ų60.733%0.3329%0.292SS..SBendtrans68.8-7-177.800000115.3
681I94.7Very high94.2Very high43 Ų4360.8 Ų60.822%0.22129%0.291CS..SBendtrans-143.2159.1179.152.6-164.1000110.5V652 M674 H675 G678 L679 Q683V652-I681 HydrophobicContact CB-CG2 4.36Å; V652-I681 HydrophobicContact CG1-CD1 4.31Å; V652-I681 HydrophobicContact CG1-CG2 3.79Å; V652-I681 HydrophobicContact CG2-CD1 3.92Å; V652-I681 HydrophobicContact CG2-CG1 4.38Å; V652-I681 HydrophobicContact CG2-CG2 4.05Å; M674-I681 HydrophobicContact CB-CD1 3.96Å; H675-I681 HydrophobicContact CB-CD1 4.49Å; G678-I681 CarbonylContact C-O 3.57Å; G678-I681 WeakPolarHBondContact CA-O 3.43Å; L679-I681 PolarHBondContact O-N 3.25Å; I681-Q683 PolarHBondContact O-N 3.45Å
682K94.8Very high94.2Very high190 Ų19060.7 Ų60.783%0.82629%0.291SS*.  trans-62.1131.8172.4-172.2-178.3176.7-172.60110.1D684K682-D684 PolarHBondContact O-N 3.21Å
683Q94.4Very high94.2Very high115 Ų11563.1 Ų63.154%0.53730%0.303SS..  trans-57.3127.5174.3-166.4-17828.300110.9H675 E676 I681H675-Q683 WeakPolarHBondContact O-CA 3.31Å; H675-Q683 WeakPolarHBondContact O-CG 3.45Å; E676-Q683 WeakPolarHBondContact O-CG 3.49Å; E676-Q683 PolarHBondContact O-NE2 3.31Å; I681-Q683 PolarHBondContact O-N 3.45Å
684D94.3Very high94.2Very high67 Ų6761.6 Ų61.636%0.35830%0.3SS..  trans-147.7104.7176.2-172.6-31.2000109.7H675 K682 H686 L687 A688H675-D684 PolarHBondContact O-N 3.23Å; K682-D684 PolarHBondContact O-N 3.21Å; D684-H686 VanDerWaalsContact C-N 3.33Å; D684-H686 PolarHBondContact O-N 3.32Å; D684-H686 PolarHBondContact OD1-N 3.04Å; D684-L687 HydrophobicContact CB-CB 3.94Å; D684-L687 PolarHBondContact O-N 2.92Å; D684-L687 PolarHBondContact OD1-N 3.11Å; D684-A688 WeakPolarHBondContact O-CB 3.38Å; D684-A688 PolarHBondContact O-N 3.1Å
685I90.2Very high94.1Very high54 Ų5461.6 Ų61.628%0.27730%0.3SS..Hα-helixtrans-69.2-31.1-176.2-63.5173.3000111.8K689 L713I685-K689 PolarHBondContact O-N 3.46Å; I685-L713 HydrophobicContact CG2-CD1 4.14Å; I685-L713 HydrophobicContact CG2-CD2 4.14Å; I685-L713 HydrophobicContact CG2-CG 4.26Å
686H90.9Very high94.1Very high157 Ų15761.5 Ų61.573%0.72730%0.303SS*.Hα-helixtrans-74.3-40.7179.6-64.6-62.6000111D684 K689 R690D684-H686 VanDerWaalsContact C-N 3.33Å; D684-H686 PolarHBondContact O-N 3.32Å; D684-H686 PolarHBondContact OD1-N 3.04Å; H686-K689 PolarHBondContact O-N 3.08Å; H686-R690 PolarHBondContact O-N 3.4Å
687L93.8Very high94Very high53 Ų5369.1 Ų69.128%0.27734%0.339SS..Hα-helixtrans-69.6-37.5174.6-171.151.4000111.5H675 D684 R690 F691H675-L687 WeakPolarHBondContact CE1-CD2 3.27Å; D684-L687 HydrophobicContact CB-CB 3.94Å; D684-L687 PolarHBondContact O-N 2.92Å; D684-L687 PolarHBondContact OD1-N 3.11Å; L687-R690 PolarHBondContact O-N 2.99Å; L687-F691 HydrophobicContact CD1-CD2 3.94Å; L687-F691 HydrophobicContact CD1-CE2 3.61Å; L687-F691 HydrophobicContact CD1-CZ 4.37Å; L687-F691 HydrophobicContact CD2-CE2 4.28Å; L687-F691 HydrophobicContact CG-CD2 3.92Å; L687-F691 HydrophobicContact CG-CE2 3.67Å; L687-F691 VanDerWaalsContact O-CD2 3.29Å; L687-F691 WeakPolarHBondContact O-CD2 3.16Å; L687-F691 PolarHBondContact O-N 2.99Å
688A94.8Very high93.9Very high0 Ų067.2 Ų67.20%034%0.34CS..Hα-helixtrans-56.7-51.7170.600000112.1G672 H675 E676 D684 R690 F691 Y692G672-A688 VanDerWaalsContact O-CB 3.27Å; G672-A688 WeakPolarHBondContact O-CB 3.13Å; H675-A688 HydrophobicContact CB-CB 3.84Å; E676-A688 HydrophobicContact CB-CB 4.22Å; D684-A688 WeakPolarHBondContact O-CB 3.38Å; D684-A688 PolarHBondContact O-N 3.1Å; A688-R690 VanDerWaalsContact C-N 3.32Å; A688-R690 PolarHBondContact O-N 2.96Å; A688-F691 PolarHBondContact O-N 3.3Å; A688-Y692 VanDerWaalsContact O-CD2 3.31Å; A688-Y692 WeakPolarHBondContact O-CD2 3.24Å; A688-Y692 PolarHBondContact O-N 3.4Å
689K94.8Very high93.7Very high95 Ų9567 Ų6741%0.41333%0.334SS..Hα-helixtrans-55.4-47.3175178.8-180-171.6-45.20111.2I685 H686 F691 Y692 D693 L710 L713I685-K689 PolarHBondContact O-N 3.46Å; H686-K689 PolarHBondContact O-N 3.08Å; K689-F691 VanDerWaalsContact C-N 3.32Å; K689-F691 PolarHBondContact O-N 2.84Å; K689-Y692 PolarHBondContact O-N 3.26Å; K689-D693 IonicContact NZ-OD1 3.75Å; K689-D693 PolarHBondContact NZ-OD1 3.5Å; K689-D693 IonicContact NZ-OD2 3.74Å; K689-D693 PolarHBondContact NZ-OD2 3.42Å; K689-D693 PolarHBondContact O-N 3.19Å; K689-L710 HydrophobicContact CB-CD2 4.4Å; K689-L710 HydrophobicContact CG-CD2 3.8Å; K689-L713 HydrophobicContact CB-CD2 4.29Å
690R95.1Very high93.5Very high155 Ų15569.5 Ų69.559%0.58535%0.352SS*.Hα-helixtrans-59.5-41.8-179.9-178.7-178.8176-177.9-0.8112.2H686 L687 A688 D693 M694H686-R690 PolarHBondContact O-N 3.4Å; L687-R690 PolarHBondContact O-N 2.99Å; A688-R690 VanDerWaalsContact C-N 3.32Å; A688-R690 PolarHBondContact O-N 2.96Å; R690-D693 PolarHBondContact O-N 3.4Å; R690-M694 HydrophobicContact CG-CG 4.49Å; R690-M694 HydrophobicContact CG-SD 4.04Å; R690-M694 WeakPolarHBondContact O-CB 3.5Å; R690-M694 VanDerWaalsContact O-CG 3.26Å; R690-M694 WeakPolarHBondContact O-CG 3.38Å; R690-M694 PolarHBondContact O-N 3.38Å
691F95.3Very high93.3Very high33 Ų3374.2 Ų74.215%0.14537%0.37CS..Hα-helixtrans-67.9-36.4176.8-83.7-60.3000112.7L671 H675 L687 A688 K689 A695L671-F691 HydrophobicContact CB-CD1 4.34Å; L671-F691 HydrophobicContact CB-CD2 4.27Å; L671-F691 HydrophobicContact CB-CE2 4.44Å; L671-F691 HydrophobicContact CB-CG 4.22Å; L671-F691 HydrophobicContact CD1-CD1 4.43Å; L671-F691 HydrophobicContact CD1-CE1 4.03Å; L671-F691 HydrophobicContact CD1-CZ 4.29Å; H675-F691 AromaticContact CD2-CD2 3.67Å; H675-F691 AromaticContact CD2-CE2 3.57Å; H675-F691 AromaticContact NE2-CE2 3.6Å; L687-F691 HydrophobicContact CD1-CD2 3.94Å; L687-F691 HydrophobicContact CD1-CE2 3.61Å; L687-F691 HydrophobicContact CD1-CZ 4.37Å; L687-F691 HydrophobicContact CD2-CE2 4.28Å; L687-F691 HydrophobicContact CG-CD2 3.92Å; L687-F691 HydrophobicContact CG-CE2 3.67Å; L687-F691 VanDerWaalsContact O-CD2 3.29Å; L687-F691 WeakPolarHBondContact O-CD2 3.16Å; L687-F691 PolarHBondContact O-N 2.99Å; A688-F691 PolarHBondContact O-N 3.3Å; K689-F691 VanDerWaalsContact C-N 3.32Å; K689-F691 PolarHBondContact O-N 2.84Å; F691-A695 WeakPolarHBondContact O-CB 3.46Å; F691-A695 PolarHBondContact O-N 3.43Å
692Y96.1Very high93.2Very high1 Ų172.8 Ų72.80%0.00437%0.365CS..Hα-helixtrans-64.2-46.9170.8-66-42.9000111.8F669 Y673 E676 A688 K689 M694 A695 A696 V706 A709 L710F669-Y692 AromaticContact CD2-CD1 3.79Å; F669-Y692 HydrophobicContact CD2-CD1 3.79Å; F669-Y692 AromaticContact CD2-CE1 3.94Å; F669-Y692 HydrophobicContact CD2-CE1 3.94Å; F669-Y692 HydrophobicContact CE2-CD1 4.02Å; F669-Y692 AromaticContact CE2-CE1 3.91Å; F669-Y692 HydrophobicContact CE2-CE1 3.91Å; F669-Y692 HydrophobicContact CG-CD1 4.41Å; F669-Y692 HydrophobicContact CG-CE1 4.32Å; F669-Y692 HydrophobicContact CZ-CE1 4.27Å; Y673-Y692 WeakPolarHBondContact CA-OH 3.38Å; Y673-Y692 PolarHBondContact N-OH 3.29Å; E676-Y692 PolarHBondContact OE2-OH 3.4Å; A688-Y692 VanDerWaalsContact O-CD2 3.31Å; A688-Y692 WeakPolarHBondContact O-CD2 3.24Å; A688-Y692 PolarHBondContact O-N 3.4Å; K689-Y692 PolarHBondContact O-N 3.26Å; Y692-M694 PolarHBondContact O-N 2.85Å; Y692-A695 WeakPolarHBondContact O-CB 3.49Å; Y692-A695 PolarHBondContact O-N 3.04Å; Y692-A695 VanDerWaalsContact O-N 3.15Å; Y692-A696 PolarHBondContact O-N 2.91Å; Y692-V706 WeakPolarHBondContact O-CG1 3.35Å; Y692-V706 VanDerWaalsContact O-CG2 3.25Å; Y692-V706 WeakPolarHBondContact O-CG2 3.28Å; Y692-A709 HydrophobicContact CD1-CB 4.37Å; Y692-A709 HydrophobicContact CD2-CB 4.46Å; Y692-A709 HydrophobicContact CE1-CB 4.1Å; Y692-A709 HydrophobicContact CE2-CB 4.19Å; Y692-L710 HydrophobicContact CD2-CD2 4.03Å; Y692-L710 HydrophobicContact CG-CD2 4.49Å
693D95.4Very high93.2Very high50 Ų5069 Ų6927%0.26735%0.35SS..Hα-helixtrans-56.7-48.3175.7-60.4-29000110.6K689 R690 A695 A696 E697K689-D693 IonicContact NZ-OD1 3.75Å; K689-D693 PolarHBondContact NZ-OD1 3.5Å; K689-D693 IonicContact NZ-OD2 3.74Å; K689-D693 PolarHBondContact NZ-OD2 3.42Å; K689-D693 PolarHBondContact O-N 3.19Å; R690-D693 PolarHBondContact O-N 3.4Å; D693-A695 VanDerWaalsContact C-N 3.31Å; D693-A695 PolarHBondContact O-N 3Å; D693-A696 PolarHBondContact O-N 2.85Å; D693-E697 PolarHBondContact O-N 2.89Å; D693-E697 VanDerWaalsContact O-N 3.07Å
694M94.1Very high93.2Very high56 Ų5668.5 Ų68.528%0.27635%0.354SS..Hα-helixtrans-61.5-34.6176.7-73.9174.155.800113.2M668 R690 Y692 E697 A698M668-M694 HydrophobicContact CE-CE 4.43Å; M668-M694 HydrophobicContact SD-CB 3.83Å; M668-M694 HydrophobicContact SD-CE 4.27Å; R690-M694 HydrophobicContact CG-CG 4.49Å; R690-M694 HydrophobicContact CG-SD 4.04Å; R690-M694 WeakPolarHBondContact O-CB 3.5Å; R690-M694 VanDerWaalsContact O-CG 3.26Å; R690-M694 WeakPolarHBondContact O-CG 3.38Å; R690-M694 PolarHBondContact O-N 3.38Å; Y692-M694 PolarHBondContact O-N 2.85Å; M694-E697 PolarHBondContact O-N 3.12Å; M694-A698 VanDerWaalsContact O-CB 3.29Å; M694-A698 WeakPolarHBondContact O-CB 3.4Å; M694-A698 PolarHBondContact O-N 3.05Å
695A95.4Very high93.2Very high0 Ų068.1 Ų68.10%036%0.356CS..Hα-helixtrans-65.9-40176.600000111.9M668 F669 F691 Y692 D693 A698 S699 A702 V706M668-A695 HydrophobicContact CB-CB 3.84Å; F669-A695 HydrophobicContact CB-CB 4.35Å; F691-A695 WeakPolarHBondContact O-CB 3.46Å; F691-A695 PolarHBondContact O-N 3.43Å; Y692-A695 WeakPolarHBondContact O-CB 3.49Å; Y692-A695 PolarHBondContact O-N 3.04Å; Y692-A695 VanDerWaalsContact O-N 3.15Å; D693-A695 VanDerWaalsContact C-N 3.31Å; D693-A695 PolarHBondContact O-N 3Å; A695-A698 PolarHBondContact O-N 2.91Å; A695-S699 PolarHBondContact O-N 3.18Å; A695-A702 WeakPolarHBondContact O-CB 3.42Å; A695-V706 HydrophobicContact CB-CG2 3.93Å
696A94.9Very high93.5Very high22 Ų2265.7 Ų65.718%0.18234%0.344CS..Hα-helixtrans-71.8-28.1176.100000113.5Y692 D693 Q703 V706Y692-A696 PolarHBondContact O-N 2.91Å; D693-A696 PolarHBondContact O-N 2.85Å; A696-Q703 HydrophobicContact CB-CG 4.16Å; A696-V706 HydrophobicContact CB-CB 4Å; A696-V706 HydrophobicContact CB-CG1 3.77Å; A696-V706 HydrophobicContact CB-CG2 4.12Å
697E92.4Very high93.7Very high168 Ų16864.7 Ų64.779%0.78534%0.337SS*.Hα-helixtrans-71.9-30.7168.8-70.3176.1-178.800112.1D693 M694D693-E697 PolarHBondContact O-N 2.89Å; D693-E697 VanDerWaalsContact O-N 3.07Å; M694-E697 PolarHBondContact O-N 3.12Å
698A91Very high93.8Very high49 Ų4967.2 Ų67.241%0.40535%0.351SS..Hα-helixtrans-81.6-29.4-175.100000114.7A665 M668 M694 A695A665-A698 HydrophobicContact CB-CB 3.99Å; M668-A698 HydrophobicContact CE-CB 4.38Å; M668-A698 HydrophobicContact SD-CB 4.12Å; M694-A698 VanDerWaalsContact O-CB 3.29Å; M694-A698 WeakPolarHBondContact O-CB 3.4Å; M694-A698 PolarHBondContact O-N 3.05Å; A695-A698 PolarHBondContact O-N 2.91Å
699S89.8Confident93.7Very high25 Ų2567.6 Ų67.618%0.17535%0.354CS..  trans-147.8139.5174.6173.20000112.1A695 D701 A702A695-S699 PolarHBondContact O-N 3.18Å; S699-D701 VanDerWaalsContact C-N 3.25Å; S699-D701 PolarHBondContact O-N 3.39Å; S699-D701 PolarHBondContact OG-N 3.48Å; S699-D701 PolarHBondContact OG-OD2 3.36Å; S699-A702 PolarHBondContact O-N 3.29Å
700P90.3Very high93.7Very high94 Ų9465.1 Ų65.161%0.6135%0.345SS*.G310 helixtrans-59.6-36171.926.8-35.1000112.2A702 Q703P700-A702 PolarHBondContact O-N 3.3Å; P700-Q703 WeakPolarHBondContact O-CB 3.17Å; P700-Q703 WeakPolarHBondContact O-CG 3.5Å; P700-Q703 PolarHBondContact O-N 3.04Å
701D87.8Confident93.7Very high132 Ų13260.8 Ų60.871%0.70634%0.338SS*.G310 helixtrans-65.1-26.1-177.6-47.7-43.6000112.1S699 Q703 P705S699-D701 VanDerWaalsContact C-N 3.25Å; S699-D701 PolarHBondContact O-N 3.39Å; S699-D701 PolarHBondContact OG-N 3.48Å; S699-D701 PolarHBondContact OG-OD2 3.36Å; D701-Q703 VanDerWaalsContact C-N 3.35Å; D701-P705 VanDerWaalsContact O-CD 3.32Å; D701-P705 WeakPolarHBondContact O-CD 3.39Å
702A92.3Very high93.6Very high13 Ų1363 Ų6311%0.10735%0.347CS..G310 helixtrans-78.6-15178.100000113.4A665 A695 S699 P700 V704 P705 V706A665-A702 HydrophobicContact CB-CB 4.12Å; A695-A702 WeakPolarHBondContact O-CB 3.42Å; S699-A702 PolarHBondContact O-N 3.29Å; P700-A702 PolarHBondContact O-N 3.3Å; A702-V704 PolarHBondContact O-N 2.86Å; A702-P705 WeakPolarHBondContact O-CD 3.44Å; A702-V706 VanDerWaalsContact O-CB 3.23Å; A702-V706 WeakPolarHBondContact O-CB 3.47Å; A702-V706 WeakPolarHBondContact O-CG2 3.28Å; A702-V706 PolarHBondContact O-N 2.99Å
703Q93.8Very high93.3Very high111 Ų11163.8 Ų63.852%0.51935%0.351SS..Hα-helixtrans-62-45.4-173.4-67.4-1790.500113A696 P700 D701 V706 F707A696-Q703 HydrophobicContact CB-CG 4.16Å; P700-Q703 WeakPolarHBondContact O-CB 3.17Å; P700-Q703 WeakPolarHBondContact O-CG 3.5Å; P700-Q703 PolarHBondContact O-N 3.04Å; D701-Q703 VanDerWaalsContact C-N 3.35Å; Q703-V706 PolarHBondContact O-N 3.3Å; Q703-F707 WeakPolarHBondContact O-CB 3.41Å; Q703-F707 PolarHBondContact O-N 3.01Å
704V94.6Very high93.1Very high103 Ų10363.1 Ų63.162%0.62436%0.356SS*.Hα-helixtrans-68.6-48.7-179.4177.20000111.8A702 V706 F707 L708A702-V704 PolarHBondContact O-N 2.86Å; V704-V706 VanDerWaalsContact C-N 3.34Å; V704-V706 PolarHBondContact O-N 2.9Å; V704-F707 PolarHBondContact O-N 2.92Å; V704-L708 HydrophobicContact CG1-CD1 4.44Å; V704-L708 WeakPolarHBondContact O-CG 3.36Å; V704-L708 PolarHBondContact O-N 3.32Å; V704-L708 VanDerWaalsContact O-N 3.13Å
705P94.5Very high93Very high59 Ų5965.3 Ų65.338%0.38337%0.369SS..Hα-helixtrans-56.1-43.1171.5-27.334.7000113.8F669 D701 A702 L708 A709F669-P705 HydrophobicContact CE2-CB 4.11Å; F669-P705 HydrophobicContact CZ-CB 4.48Å; D701-P705 VanDerWaalsContact O-CD 3.32Å; D701-P705 WeakPolarHBondContact O-CD 3.39Å; A702-P705 WeakPolarHBondContact O-CD 3.44Å; P705-L708 PolarHBondContact O-N 2.95Å; P705-A709 WeakPolarHBondContact O-CB 3.22Å; P705-A709 PolarHBondContact O-N 3.47Å
706V95.8Very high92.6Very high4 Ų468.2 Ų68.22%0.02438%0.383CS..Hα-helixtrans-63-46.3177.4161.30000111.4F669 Y692 A695 A696 A702 Q703 V704 L708 A709 L710F669-V706 HydrophobicContact CD2-CG2 3.91Å; F669-V706 HydrophobicContact CE2-CG2 4.32Å; Y692-V706 WeakPolarHBondContact O-CG1 3.35Å; Y692-V706 VanDerWaalsContact O-CG2 3.25Å; Y692-V706 WeakPolarHBondContact O-CG2 3.28Å; A695-V706 HydrophobicContact CB-CG2 3.93Å; A696-V706 HydrophobicContact CB-CB 4Å; A696-V706 HydrophobicContact CB-CG1 3.77Å; A696-V706 HydrophobicContact CB-CG2 4.12Å; A702-V706 VanDerWaalsContact O-CB 3.23Å; A702-V706 WeakPolarHBondContact O-CB 3.47Å; A702-V706 WeakPolarHBondContact O-CG2 3.28Å; A702-V706 PolarHBondContact O-N 2.99Å; Q703-V706 PolarHBondContact O-N 3.3Å; V704-V706 VanDerWaalsContact C-N 3.34Å; V704-V706 PolarHBondContact O-N 2.9Å; V706-L708 VanDerWaalsContact C-N 3.32Å; V706-L708 PolarHBondContact O-N 3.36Å; V706-A709 PolarHBondContact O-N 2.88Å; V706-A709 VanDerWaalsContact O-N 3.15Å; V706-L710 HydrophobicContact CG1-CD1 3.7Å; V706-L710 HydrophobicContact CG1-CG 4.14Å; V706-L710 WeakPolarHBondContact O-CB 3.32Å; V706-L710 WeakPolarHBondContact O-CG 3.41Å; V706-L710 PolarHBondContact O-N 3.47Å
707F95.3Very high92.2Very high135 Ų13573.5 Ų73.559%0.59240%0.4SS*.Hα-helixtrans-57.6-45.6178.1177.6-100.1000111.6Q703 V704 L710 C711Q703-F707 WeakPolarHBondContact O-CB 3.41Å; Q703-F707 PolarHBondContact O-N 3.01Å; V704-F707 PolarHBondContact O-N 2.92Å; F707-L710 PolarHBondContact O-N 3.05Å; F707-C711 WeakPolarHBondContact O-CB 3.2Å; F707-C711 PolarHBondContact O-N 3.49Å; F707-C711 PolarHBondContact O-SG 3.32Å; F707-C711 VanDerWaalsContact O-SG 3.34Å
708L95.7Very high92Very high107 Ų10769 Ų6956%0.5638%0.384SS*.Hα-helixtrans-63.7-41.1175.9-66174.8000112.3V704 P705 V706 C711 K712V704-L708 HydrophobicContact CG1-CD1 4.44Å; V704-L708 WeakPolarHBondContact O-CG 3.36Å; V704-L708 PolarHBondContact O-N 3.32Å; V704-L708 VanDerWaalsContact O-N 3.13Å; P705-L708 PolarHBondContact O-N 2.95Å; V706-L708 VanDerWaalsContact C-N 3.32Å; V706-L708 PolarHBondContact O-N 3.36Å; L708-C711 PolarHBondContact O-N 3.13Å; L708-K712 WeakPolarHBondContact O-CB 3.49Å; L708-K712 PolarHBondContact O-N 3.04Å
709A94.4Very high91.8Very high8 Ų871 Ų717%0.06639%0.387CS..Hα-helixtrans-63.6-41.617600000112.4F669 Y692 P705 V706 K712 L713F669-A709 HydrophobicContact CE2-CB 3.88Å; F669-A709 HydrophobicContact CZ-CB 4.12Å; Y692-A709 HydrophobicContact CD1-CB 4.37Å; Y692-A709 HydrophobicContact CD2-CB 4.46Å; Y692-A709 HydrophobicContact CE1-CB 4.1Å; Y692-A709 HydrophobicContact CE2-CB 4.19Å; P705-A709 WeakPolarHBondContact O-CB 3.22Å; P705-A709 PolarHBondContact O-N 3.47Å; V706-A709 PolarHBondContact O-N 2.88Å; V706-A709 VanDerWaalsContact O-N 3.15Å; A709-K712 PolarHBondContact O-N 3.44Å; A709-L713 WeakPolarHBondContact O-CB 3.48Å; A709-L713 PolarHBondContact O-N 2.92Å
710L94.2Very high91.6Very high43 Ų4374.2 Ų74.223%0.22540%0.399CS..Hα-helixtrans-68.5-40.8176.4-69.7176.2000112.3K689 Y692 V706 F707 L713 G714K689-L710 HydrophobicContact CB-CD2 4.4Å; K689-L710 HydrophobicContact CG-CD2 3.8Å; Y692-L710 HydrophobicContact CD2-CD2 4.03Å; Y692-L710 HydrophobicContact CG-CD2 4.49Å; V706-L710 HydrophobicContact CG1-CD1 3.7Å; V706-L710 HydrophobicContact CG1-CG 4.14Å; V706-L710 WeakPolarHBondContact O-CB 3.32Å; V706-L710 WeakPolarHBondContact O-CG 3.41Å; V706-L710 PolarHBondContact O-N 3.47Å; F707-L710 PolarHBondContact O-N 3.05Å; L710-L713 PolarHBondContact O-N 3.29Å; L710-G714 PolarHBondContact O-N 3.37Å
711C94.8Very high91.2Very high64 Ų6476 Ų7643%0.43240%0.395SS..Hα-helixtrans-60.1-46.6172.5-77.40000111.5F707 L708 L713 G714 L715F707-C711 WeakPolarHBondContact O-CB 3.2Å; F707-C711 PolarHBondContact O-N 3.49Å; F707-C711 PolarHBondContact O-SG 3.32Å; F707-C711 VanDerWaalsContact O-SG 3.34Å; L708-C711 PolarHBondContact O-N 3.13Å; C711-L713 PolarHBondContact O-N 2.88Å; C711-G714 PolarHBondContact O-N 2.95Å; C711-L715 WeakPolarHBondContact O-CB 3.28Å; C711-L715 PolarHBondContact O-N 3.45Å
712K93.8Very high91Very high80 Ų8074.1 Ų74.135%0.34838%0.384SS..Hα-helixtrans-57.9-45.9172.7164.1177.8156.7-96.10111.8E676 L708 A709 L715 I716E676-K712 IonicContact OE1-NZ 3.73Å; E676-K712 PolarHBondContact OE1-NZ 3.32Å; E676-K712 IonicContact OE2-NZ 2.82Å; E676-K712 PolarHBondContact OE2-NZ 3.27Å; L708-K712 WeakPolarHBondContact O-CB 3.49Å; L708-K712 PolarHBondContact O-N 3.04Å; A709-K712 PolarHBondContact O-N 3.44Å; K712-L715 PolarHBondContact O-N 2.89Å; K712-I716 HydrophobicContact CG-CD1 3.88Å; K712-I716 WeakPolarHBondContact O-CG1 3.42Å; K712-I716 PolarHBondContact O-N 3.08Å
713L90.1Very high90.4Very high16 Ų1680.6 Ų80.68%0.08441%0.412CS..Hα-helixtrans-62.5-43.8179.5-168.767.6000111.6E676 I685 K689 A709 L710 C711 I716 Y717E676-L713 HydrophobicContact CG-CD1 3.84Å; I685-L713 HydrophobicContact CG2-CD1 4.14Å; I685-L713 HydrophobicContact CG2-CD2 4.14Å; I685-L713 HydrophobicContact CG2-CG 4.26Å; K689-L713 HydrophobicContact CB-CD2 4.29Å; A709-L713 WeakPolarHBondContact O-CB 3.48Å; A709-L713 PolarHBondContact O-N 2.92Å; L710-L713 PolarHBondContact O-N 3.29Å; C711-L713 PolarHBondContact O-N 2.88Å; L713-I716 PolarHBondContact O-N 3.25Å; L713-Y717 WeakPolarHBondContact O-CB 3.46Å; L713-Y717 PolarHBondContact O-N 3.39Å
714G90.7Very high89.7Confident36 Ų3681.9 Ų81.937%0.37142%0.423SS..Hα-helixtrans-63.1-39.5174.500000113L710 C711 Y717 T718L710-G714 PolarHBondContact O-N 3.37Å; C711-G714 PolarHBondContact O-N 2.95Å; G714-Y717 PolarHBondContact O-N 3.01Å; G714-T718 WeakPolarHBondContact O-CB 3.44Å; G714-T718 WeakPolarHBondContact O-CG2 3.36Å; G714-T718 PolarHBondContact O-N 3.25Å; G714-T718 PolarHBondContact O-OG1 3.38Å
715L92.5Very high88.8Confident103 Ų10379.8 Ų79.854%0.53941%0.408SS..Hα-helixtrans-65.5-46.5176.2-167.5158.5000111.2C711 K712 Y717 T718 L719C711-L715 WeakPolarHBondContact O-CB 3.28Å; C711-L715 PolarHBondContact O-N 3.45Å; K712-L715 PolarHBondContact O-N 2.89Å; L715-Y717 PolarHBondContact O-N 3.49Å; L715-T718 WeakPolarHBondContact CA-OG1 3.31Å; L715-T718 PolarHBondContact O-N 2.85Å; L715-T718 PolarHBondContact O-OG1 3.29Å; L715-L719 HydrophobicContact CD2-CD1 3.56Å; L715-L719 HydrophobicContact CD2-CG 4.11Å; L715-L719 WeakPolarHBondContact O-CG 3.48Å; L715-L719 PolarHBondContact O-N 3.03Å
716I86.9Confident87.3Confident61 Ų6181.7 Ų81.731%0.31342%0.415SS..Hα-helixtrans-60.7-45.5175.9-67.5167000110.8K712 L713 L719 Q720K712-I716 HydrophobicContact CG-CD1 3.88Å; K712-I716 WeakPolarHBondContact O-CG1 3.42Å; K712-I716 PolarHBondContact O-N 3.08Å; L713-I716 PolarHBondContact O-N 3.25Å; I716-L719 PolarHBondContact O-N 3Å; I716-Q720 WeakPolarHBondContact O-CG 3.24Å; I716-Q720 PolarHBondContact O-N 3.16Å
717Y86.1Confident85.6Confident133 Ų13386 Ų8652%0.52244%0.437SS..Hα-helixtrans-64.9-40.1179.8-174.1-96.4000112.6L713 G714 L715 Q720 Y721L713-Y717 WeakPolarHBondContact O-CB 3.46Å; L713-Y717 PolarHBondContact O-N 3.39Å; G714-Y717 PolarHBondContact O-N 3.01Å; L715-Y717 PolarHBondContact O-N 3.49Å; Y717-Q720 PolarHBondContact O-N 3.39Å; Y717-Y721 VanDerWaalsContact O-CB 3.26Å; Y717-Y721 WeakPolarHBondContact O-CB 3.27Å; Y717-Y721 PolarHBondContact O-N 2.89Å
718T87.8Confident83.9Confident74 Ų7488.2 Ų88.245%0.45445%0.446SS..Hα-helixtrans-68.6-35.9175.248.20000112.4G714 L715 L722G714-T718 WeakPolarHBondContact O-CB 3.44Å; G714-T718 WeakPolarHBondContact O-CG2 3.36Å; G714-T718 PolarHBondContact O-N 3.25Å; G714-T718 PolarHBondContact O-OG1 3.38Å; L715-T718 WeakPolarHBondContact CA-OG1 3.31Å; L715-T718 PolarHBondContact O-N 2.85Å; L715-T718 PolarHBondContact O-OG1 3.29Å; T718-L722 WeakPolarHBondContact O-CB 3.34Å; T718-L722 VanDerWaalsContact O-CG 3.25Å; T718-L722 WeakPolarHBondContact O-CG 3.42Å; T718-L722 PolarHBondContact O-N 3.13Å
719L86.9Confident82.4Confident91 Ų9188.7 Ų88.748%0.47645%0.446SS..Hα-helixtrans-65-45.6171.2-76.5177.7000112.5L715 I716 L722 Q723L715-L719 HydrophobicContact CD2-CD1 3.56Å; L715-L719 HydrophobicContact CD2-CG 4.11Å; L715-L719 WeakPolarHBondContact O-CG 3.48Å; L715-L719 PolarHBondContact O-N 3.03Å; I716-L719 PolarHBondContact O-N 3Å; L719-L722 PolarHBondContact O-N 3.4Å; L719-Q723 WeakPolarHBondContact O-CG 3.27Å; L719-Q723 PolarHBondContact O-N 3.28Å
720Q84.7Confident80.8Confident91 Ų9193.2 Ų93.243%0.42547%0.468SS..Hα-helixtrans-60.6-45.8175.2-75.9-179.3-4200111.1I716 Y717 L722 Q723 D724I716-Q720 WeakPolarHBondContact O-CG 3.24Å; I716-Q720 PolarHBondContact O-N 3.16Å; Y717-Q720 PolarHBondContact O-N 3.39Å; Q720-L722 VanDerWaalsContact C-N 3.28Å; Q720-L722 PolarHBondContact O-N 2.95Å; Q720-Q723 WeakPolarHBondContact O-CB 3.49Å; Q720-Q723 PolarHBondContact O-N 2.85Å; Q720-D724 PolarHBondContact O-N 3.45Å
721Y83.5Confident79.2Confident132 Ų13296.7 Ų96.752%0.51849%0.486SS..Hα-helixtrans-60.6-35.3175.8-177.7-104.1000112.9Y717 L725Y717-Y721 VanDerWaalsContact O-CB 3.26Å; Y717-Y721 WeakPolarHBondContact O-CB 3.27Å; Y717-Y721 PolarHBondContact O-N 2.89Å; Y721-L725 HydrophobicContact CD1-CD1 3.82Å; Y721-L725 HydrophobicContact CE1-CD1 3.44Å; Y721-L725 VanDerWaalsContact CE1-CD1 3.44Å; Y721-L725 HydrophobicContact CE1-CG 4.19Å; Y721-L725 WeakPolarHBondContact O-CB 3.19Å; Y721-L725 VanDerWaalsContact O-CG 3.24Å; Y721-L725 WeakPolarHBondContact O-CG 3.5Å; Y721-L725 PolarHBondContact O-N 3.47Å
722L82.7Confident77.5Confident92 Ų9297.3 Ų97.348%0.48250%0.496SS..Hα-helixtrans-72.9-23.4173.5-75.3169.2000113.9T718 L719 Q720 L725T718-L722 WeakPolarHBondContact O-CB 3.34Å; T718-L722 VanDerWaalsContact O-CG 3.25Å; T718-L722 WeakPolarHBondContact O-CG 3.42Å; T718-L722 PolarHBondContact O-N 3.13Å; L719-L722 PolarHBondContact O-N 3.4Å; Q720-L722 VanDerWaalsContact C-N 3.28Å; Q720-L722 PolarHBondContact O-N 2.95Å; L722-L725 HydrophobicContact CD2-CD1 4.43Å
723Q79.9Confident75.8Confident149 Ų149100.9 Ų100.970%0.69651%0.514SS*.Hα-helixtrans-80.6-42.1172.6-72.2175.4-12.600111.7L719 Q720 L725L719-Q723 WeakPolarHBondContact O-CG 3.27Å; L719-Q723 PolarHBondContact O-N 3.28Å; Q720-Q723 WeakPolarHBondContact O-CB 3.49Å; Q720-Q723 PolarHBondContact O-N 2.85Å; Q723-L725 VanDerWaalsContact C-N 3.3Å
724D78.6Confident74.3Confident138 Ų138103.5 Ų103.574%0.73853%0.53SS*.Hα-helixtrans-68.5-30176-72.4-21.1000112.1Q720 N726Q720-D724 PolarHBondContact O-N 3.45Å; D724-N726 PolarHBondContact O-N 2.84Å
725L75.8Confident72.8Confident59 Ų59107 Ų10731%0.30954%0.54SS..SBendtrans-66.197.4161.5-77.9171.5000109.2Y721 L722 Q723 L727Y721-L725 HydrophobicContact CD1-CD1 3.82Å; Y721-L725 HydrophobicContact CE1-CD1 3.44Å; Y721-L725 VanDerWaalsContact CE1-CD1 3.44Å; Y721-L725 HydrophobicContact CE1-CG 4.19Å; Y721-L725 WeakPolarHBondContact O-CB 3.19Å; Y721-L725 VanDerWaalsContact O-CG 3.24Å; Y721-L725 WeakPolarHBondContact O-CG 3.5Å; Y721-L725 PolarHBondContact O-N 3.47Å; L722-L725 HydrophobicContact CD2-CD1 4.43Å; Q723-L725 VanDerWaalsContact C-N 3.3Å; L725-L727 PolarHBondContact O-N 3.09Å
726N63Low71.2Confident100 Ų100105.4 Ų105.454%0.53553%0.532SS..  trans-53.785.1164.9-97.7-24.7000110.5D724 K728 E729 L730D724-N726 PolarHBondContact O-N 2.84Å; N726-K728 PolarHBondContact O-N 3.49Å; N726-E729 HydrophobicContact CB-CB 4.09Å; N726-E729 HydrophobicContact CB-CG 4.14Å; N726-E729 WeakPolarHBondContact CB-OE2 3.42Å; N726-E729 PolarHBondContact ND2-OE2 3.36Å; N726-E729 PolarHBondContact O-N 3.23Å; N726-L730 PolarHBondContact O-N 2.88Å
727L60.3Low69.9Low93 Ų93107.9 Ų107.949%0.48755%0.546SS..Hα-helixtrans-56.7-27.6178.4-86.3147.9000111.4L725 I731L725-L727 PolarHBondContact O-N 3.09Å; L727-I731 VanDerWaalsContact O-CB 3.24Å; L727-I731 WeakPolarHBondContact O-CB 3.41Å; L727-I731 WeakPolarHBondContact O-CD1 3.48Å; L727-I731 WeakPolarHBondContact O-CG1 3.26Å; L727-I731 PolarHBondContact O-N 3.31Å
728K60.5Low68.8Low182 Ų182109.9 Ų109.979%0.79156%0.56SS**Hα-helixtrans-63.4-42.1170.7-73.1-176.7176.1176.80113.5N726 A732N726-K728 PolarHBondContact O-N 3.49Å; K728-A732 WeakPolarHBondContact O-CB 3.36Å; K728-A732 PolarHBondContact O-N 3.41Å
729E62.3Low67.6Low117 Ų117112.5 Ų112.555%0.54757%0.57SS.*Hα-helixtrans-73.5-38.1176.1-72.9-175.7112.300111.4N726 A732 Q733N726-E729 HydrophobicContact CB-CB 4.09Å; N726-E729 HydrophobicContact CB-CG 4.14Å; N726-E729 WeakPolarHBondContact CB-OE2 3.42Å; N726-E729 PolarHBondContact ND2-OE2 3.36Å; N726-E729 PolarHBondContact O-N 3.23Å; E729-A732 PolarHBondContact O-N 2.86Å; E729-Q733 WeakPolarHBondContact O-CB 3.5Å; E729-Q733 WeakPolarHBondContact O-CG 3.43Å; E729-Q733 PolarHBondContact O-N 3.02Å
730L61.3Low66.4Low103 Ų103112.1 Ų112.154%0.53957%0.568SS.*Hα-helixtrans-66.2-41.3178.2-155.683000111.7N726 V734N726-L730 PolarHBondContact O-N 2.88Å; L730-V734 WeakPolarHBondContact O-CG2 3.1Å
731I60.4Low65.6Low116 Ų116108.9 Ų108.960%0.59556%0.559SS**Hα-helixtrans-72.7-38.9176.6-67166000110.8L727 Q733 V734L727-I731 VanDerWaalsContact O-CB 3.24Å; L727-I731 WeakPolarHBondContact O-CB 3.41Å; L727-I731 WeakPolarHBondContact O-CD1 3.48Å; L727-I731 WeakPolarHBondContact O-CG1 3.26Å; L727-I731 PolarHBondContact O-N 3.31Å; I731-Q733 VanDerWaalsContact C-N 3.25Å; I731-Q733 PolarHBondContact O-N 3.4Å; I731-V734 PolarHBondContact O-N 3.01Å; I731-V734 VanDerWaalsContact O-N 3.15Å
732A59.3Low64.9Low78 Ų78108 Ų10865%0.64557%0.57SS**Hα-helixtrans-71.1-15.3176.500000114.3K728 E729K728-A732 WeakPolarHBondContact O-CB 3.36Å; K728-A732 PolarHBondContact O-N 3.41Å; E729-A732 PolarHBondContact O-N 2.86Å
733Q57.9Low64.3Low155 Ų155109.2 Ų109.272%0.72457%0.573SS**THydrogen-bonded Turntrans-88.8-4.4171.1-76.6-178800113.7E729 I731E729-Q733 WeakPolarHBondContact O-CB 3.5Å; E729-Q733 WeakPolarHBondContact O-CG 3.43Å; E729-Q733 PolarHBondContact O-N 3.02Å; I731-Q733 VanDerWaalsContact C-N 3.25Å; I731-Q733 PolarHBondContact O-N 3.4Å
734V59.5Low64.1Low70 Ų70105.7 Ų105.742%0.42455%0.554SS.*  trans-99.582173.2-176.90000108.7L730 I731 L736 L739L730-V734 WeakPolarHBondContact O-CG2 3.1Å; I731-V734 PolarHBondContact O-N 3.01Å; I731-V734 VanDerWaalsContact O-N 3.15Å; V734-L736 HydrophobicContact CG1-CG 4.25Å; V734-L736 WeakPolarHBondContact O-CD1 3.12Å; V734-L736 PolarHBondContact O-N 3.34Å; V734-L739 HydrophobicContact CG1-CD2 4.46Å
735D58.4Low63.7Low109 Ų109104 Ų10458%0.58355%0.545SS*.  trans-64.297.6162.5-85.7-31.4000108.5D737 Q738 L739D735-D737 PolarHBondContact O-N 2.98Å; D735-Q738 HydrophobicContact CB-CB 4.15Å; D735-Q738 PolarHBondContact O-N 2.95Å; D735-L739 PolarHBondContact O-N 3.15Å
736L59.9Low63.5Low70 Ų70105.7 Ų105.737%0.36655%0.554SS.*Hα-helixtrans-59-34.2-179.6-70.2108.6000111.8V734 Q738 L739 L740 W744V734-L736 HydrophobicContact CG1-CG 4.25Å; V734-L736 WeakPolarHBondContact O-CD1 3.12Å; V734-L736 PolarHBondContact O-N 3.34Å; L736-Q738 PolarHBondContact O-N 2.89Å; L736-L739 PolarHBondContact O-N 3.06Å; L736-L740 PolarHBondContact O-N 3.4Å; L736-W744 HydrophobicContact CB-CE3 4.37Å; L736-W744 HydrophobicContact CD2-CD2 4.03Å; L736-W744 HydrophobicContact CD2-CE3 3.43Å; L736-W744 VanDerWaalsContact CD2-CE3 3.43Å; L736-W744 HydrophobicContact CD2-CH2 3.64Å; L736-W744 HydrophobicContact CD2-CZ2 4.22Å; L736-W744 HydrophobicContact CD2-CZ3 3.23Å
737D58.6Low64.2Low113 Ų113108.2 Ų108.260%0.60456%0.556SS**Hα-helixtrans-56.3-34.3174-63.9-6000112.9D735 G741D735-D737 PolarHBondContact O-N 2.98Å; D737-G741 CarbonylContact O-C 3.57Å; D737-G741 WeakPolarHBondContact O-CA 3.38Å; D737-G741 PolarHBondContact O-N 3.03Å; D737-G741 VanDerWaalsContact O-N 3.15Å
738Q63.6Low65Low175 Ų175107 Ų10782%0.81855%0.55SS**Hα-helixtrans-89.6-26.7-178.6-168.8169.986.400112.6D735 L736D735-Q738 HydrophobicContact CB-CB 4.15Å; D735-Q738 PolarHBondContact O-N 2.95Å; L736-Q738 PolarHBondContact O-N 2.89Å
739L63.4Low65.9Low129 Ų129104.5 Ų104.568%0.67554%0.543SS*.Hα-helixtrans-83.2-37.4179.4-169.367.7000112.6V734 D735 L736V734-L739 HydrophobicContact CG1-CD2 4.46Å; D735-L739 PolarHBondContact O-N 3.15Å; L736-L739 PolarHBondContact O-N 3.06Å
740L60Low66.7Low83 Ų83102.3 Ų102.344%0.43554%0.538SS..Hα-helixtrans-128.82.3-172-64.5126.4000114.3L736 W744L736-L740 PolarHBondContact O-N 3.4Å; L740-W744 HydrophobicContact CB-CB 4.13Å; L740-W744 HydrophobicContact CB-CG 3.7Å; L740-W744 HydrophobicContact CD1-CD2 4.3Å; L740-W744 HydrophobicContact CD1-CG 4.24Å; L740-W744 HydrophobicContact CD1-CZ2 4.38Å; L740-W744 HydrophobicContact CG-CG 4.44Å
741G67.9Low67.6Low23 Ų23101.4 Ų101.424%0.23754%0.536CS..  trans90.8166177.100000113.7D737 E743 W744D737-G741 CarbonylContact O-C 3.57Å; D737-G741 WeakPolarHBondContact O-CA 3.38Å; D737-G741 PolarHBondContact O-N 3.03Å; D737-G741 VanDerWaalsContact O-N 3.15Å; G741-E743 PolarHBondContact O-N 3.07Å; G741-E743 VanDerWaalsContact O-N 3.09Å; G741-W744 PolarHBondContact O-N 3.36Å
742P69.4Low68.7Low115 Ų11599.4 Ų99.475%0.74753%0.526SS*.THydrogen-bonded Turntrans-70.8-4-172.630.1-37.5000114.8
743E70.3Confident69.7Low116 Ų11698.6 Ų98.654%0.54252%0.519SS..THydrogen-bonded Turntrans-113.630.2178.5-53.5-126.7162.900111G741 D745 L746 Y747G741-E743 PolarHBondContact O-N 3.07Å; G741-E743 VanDerWaalsContact O-N 3.09Å; E743-D745 WeakPolarHBondContact CA-OD1 3.45Å; E743-D745 PolarHBondContact O-N 3.1Å; E743-L746 HydrophobicContact CB-CB 4.35Å; E743-L746 WeakPolarHBondContact O-CB 3.42Å; E743-L746 PolarHBondContact O-N 3.37Å; E743-L746 WeakPolarHBondContact OE2-CD1 3.33Å; E743-Y747 WeakPolarHBondContact O-CD2 3.42Å; E743-Y747 PolarHBondContact O-N 3.4Å
744W75.6Confident70.9Confident76 Ų7697 Ų9729%0.28852%0.515SS..Hα-helixtrans-66.2-28.2-178.9-168.160.7000113.5L736 L740 G741 L746 Y747 L748L736-W744 HydrophobicContact CB-CE3 4.37Å; L736-W744 HydrophobicContact CD2-CD2 4.03Å; L736-W744 HydrophobicContact CD2-CE3 3.43Å; L736-W744 VanDerWaalsContact CD2-CE3 3.43Å; L736-W744 HydrophobicContact CD2-CH2 3.64Å; L736-W744 HydrophobicContact CD2-CZ2 4.22Å; L736-W744 HydrophobicContact CD2-CZ3 3.23Å; L740-W744 HydrophobicContact CB-CB 4.13Å; L740-W744 HydrophobicContact CB-CG 3.7Å; L740-W744 HydrophobicContact CD1-CD2 4.3Å; L740-W744 HydrophobicContact CD1-CG 4.24Å; L740-W744 HydrophobicContact CD1-CZ2 4.38Å; L740-W744 HydrophobicContact CG-CG 4.44Å; G741-W744 PolarHBondContact O-N 3.36Å; W744-L746 PolarHBondContact O-N 2.99Å; W744-Y747 PolarHBondContact O-N 3.4Å; W744-L748 HydrophobicContact CE3-CB 4.44Å; W744-L748 HydrophobicContact CE3-CD2 4.41Å; W744-L748 HydrophobicContact CH2-CD1 3.93Å; W744-L748 HydrophobicContact CH2-CD2 4.21Å; W744-L748 HydrophobicContact CH2-CG 4.46Å; W744-L748 HydrophobicContact CZ2-CD1 4.3Å; W744-L748 HydrophobicContact CZ3-CB 4.39Å; W744-L748 HydrophobicContact CZ3-CD1 4.36Å; W744-L748 HydrophobicContact CZ3-CD2 3.8Å; W744-L748 HydrophobicContact CZ3-CG 4.41Å; W744-L748 WeakPolarHBondContact O-CB 3.49Å; W744-L748 PolarHBondContact O-N 3.25Å
745D69.4Low71.9Confident102 Ų10298.7 Ų98.755%0.54552%0.521SS..Hα-helixtrans-55.1-38.4168.664.7-27.1000112E743 L748 M749E743-D745 WeakPolarHBondContact CA-OD1 3.45Å; E743-D745 PolarHBondContact O-N 3.1Å; D745-L748 PolarHBondContact O-N 3.35Å; D745-M749 VanDerWaalsContact O-CB 3.23Å; D745-M749 WeakPolarHBondContact O-CB 3.34Å; D745-M749 WeakPolarHBondContact O-CG 3.22Å; D745-M749 PolarHBondContact O-N 3.13Å
746L73.4Confident73Confident95 Ų9598.3 Ų98.350%0.49752%0.518SS..Hα-helixtrans-71.9-38.3180-135.7149.9000112E743 W744 T750E743-L746 HydrophobicContact CB-CB 4.35Å; E743-L746 WeakPolarHBondContact O-CB 3.42Å; E743-L746 PolarHBondContact O-N 3.37Å; E743-L746 WeakPolarHBondContact OE2-CD1 3.33Å; W744-L746 PolarHBondContact O-N 2.99Å; L746-T750 HydrophobicContact CD2-CG2 4.46Å; L746-T750 WeakPolarHBondContact O-CB 3.45Å; L746-T750 WeakPolarHBondContact O-CG2 3.48Å; L746-T750 PolarHBondContact O-N 3Å; L746-T750 PolarHBondContact O-OG1 3.37Å
747Y75.6Confident73.9Confident152 Ų15296.7 Ų96.760%0.59652%0.519SS*.Hα-helixtrans-67.6-41170.7-66.2-67000112.3E743 W744 T750 V751E743-Y747 WeakPolarHBondContact O-CD2 3.42Å; E743-Y747 PolarHBondContact O-N 3.4Å; W744-Y747 PolarHBondContact O-N 3.4Å; Y747-T750 WeakPolarHBondContact CA-OG1 3.4Å; Y747-T750 PolarHBondContact O-OG1 2.96Å; Y747-V751 WeakPolarHBondContact O-CG2 3.46Å; Y747-V751 PolarHBondContact O-N 3.32Å
748L78.8Confident74.9Confident68 Ų6894.9 Ų94.936%0.35651%0.512SS..Hα-helixtrans-65.4-46.5177.3-175.766.8000111.3W744 D745 T750 V751 I752W744-L748 HydrophobicContact CE3-CB 4.44Å; W744-L748 HydrophobicContact CE3-CD2 4.41Å; W744-L748 HydrophobicContact CH2-CD1 3.93Å; W744-L748 HydrophobicContact CH2-CD2 4.21Å; W744-L748 HydrophobicContact CH2-CG 4.46Å; W744-L748 HydrophobicContact CZ2-CD1 4.3Å; W744-L748 HydrophobicContact CZ3-CB 4.39Å; W744-L748 HydrophobicContact CZ3-CD1 4.36Å; W744-L748 HydrophobicContact CZ3-CD2 3.8Å; W744-L748 HydrophobicContact CZ3-CG 4.41Å; W744-L748 WeakPolarHBondContact O-CB 3.49Å; W744-L748 PolarHBondContact O-N 3.25Å; D745-L748 PolarHBondContact O-N 3.35Å; L748-T750 PolarHBondContact O-N 3.02Å; L748-V751 PolarHBondContact O-N 3.47Å; L748-I752 HydrophobicContact CD1-CD1 4.07Å; L748-I752 HydrophobicContact CD1-CG1 4.48Å; L748-I752 HydrophobicContact CD2-CD1 4.45Å; L748-I752 HydrophobicContact CG-CD1 3.82Å; L748-I752 WeakPolarHBondContact O-CB 3.32Å; L748-I752 VanDerWaalsContact O-CG1 3.27Å; L748-I752 WeakPolarHBondContact O-CG1 3.31Å; L748-I752 PolarHBondContact O-N 3.33Å
749M78.1Confident75.7Confident129 Ų12990.6 Ų90.664%0.63550%0.498SS*.Hα-helixtrans-65.1-36.7178.8-74.1-67.4-73.400112.4D745 A753D745-M749 VanDerWaalsContact O-CB 3.23Å; D745-M749 WeakPolarHBondContact O-CB 3.34Å; D745-M749 WeakPolarHBondContact O-CG 3.22Å; D745-M749 PolarHBondContact O-N 3.13Å; M749-A753 WeakPolarHBondContact O-CB 3.41Å; M749-A753 PolarHBondContact O-N 3.38Å
750T80Confident76.5Confident72 Ų7288.7 Ų88.744%0.44249%0.487SS..Hα-helixtrans-68.7-41.2174.547.70000112.2L746 Y747 L748 A753 L754L746-T750 HydrophobicContact CD2-CG2 4.46Å; L746-T750 WeakPolarHBondContact O-CB 3.45Å; L746-T750 WeakPolarHBondContact O-CG2 3.48Å; L746-T750 PolarHBondContact O-N 3Å; L746-T750 PolarHBondContact O-OG1 3.37Å; Y747-T750 WeakPolarHBondContact CA-OG1 3.4Å; Y747-T750 PolarHBondContact O-OG1 2.96Å; L748-T750 PolarHBondContact O-N 3.02Å; T750-A753 PolarHBondContact O-N 3.17Å; T750-L754 WeakPolarHBondContact O-CB 3.45Å; T750-L754 PolarHBondContact O-N 2.86Å
751V80.8Confident77.3Confident83 Ų8387.2 Ų87.250%0.50349%0.487SS..Hα-helixtrans-64-43.5173.9170.50000111.7Y747 L748 L754 L755Y747-V751 WeakPolarHBondContact O-CG2 3.46Å; Y747-V751 PolarHBondContact O-N 3.32Å; L748-V751 PolarHBondContact O-N 3.47Å; V751-L754 PolarHBondContact O-N 3.34Å; V751-L755 HydrophobicContact CG1-CD1 4.26Å; V751-L755 PolarHBondContact O-N 2.97Å
752I82.8Confident77.7Confident74 Ų7493.8 Ų93.838%0.37951%0.506SS..Hα-helixtrans-64.3-40.5176.1-70.8173.1000111L748 L754 L755 L756L748-I752 HydrophobicContact CD1-CD1 4.07Å; L748-I752 HydrophobicContact CD1-CG1 4.48Å; L748-I752 HydrophobicContact CD2-CD1 4.45Å; L748-I752 HydrophobicContact CG-CD1 3.82Å; L748-I752 WeakPolarHBondContact O-CB 3.32Å; L748-I752 VanDerWaalsContact O-CG1 3.27Å; L748-I752 WeakPolarHBondContact O-CG1 3.31Å; L748-I752 PolarHBondContact O-N 3.33Å; I752-L754 VanDerWaalsContact C-N 3.34Å; I752-L755 PolarHBondContact O-N 3.36Å; I752-L756 HydrophobicContact CG2-CD1 4Å; I752-L756 WeakPolarHBondContact O-CB 3.22Å; I752-L756 PolarHBondContact O-N 2.97Å
753A81.1Confident77.7Confident61 Ų6196.5 Ų96.550%0.50450%0.501SS..Hα-helixtrans-66.2-34.5175.100000112.5M749 T750 G757M749-A753 WeakPolarHBondContact O-CB 3.41Å; M749-A753 PolarHBondContact O-N 3.38Å; T750-A753 PolarHBondContact O-N 3.17Å; A753-G757 WeakPolarHBondContact O-CA 3.49Å; A753-G757 PolarHBondContact O-N 2.95Å
754L82.1Confident77.4Confident122 Ų12297.1 Ų97.164%0.63950%0.504SS*.Hα-helixtrans-70.1-40.8173.6-123.6163.1000111.6T750 V751 I752 G757 T758T750-L754 WeakPolarHBondContact O-CB 3.45Å; T750-L754 PolarHBondContact O-N 2.86Å; V751-L754 PolarHBondContact O-N 3.34Å; I752-L754 VanDerWaalsContact C-N 3.34Å; L754-G757 PolarHBondContact O-N 3.39Å; L754-T758 HydrophobicContact CD2-CG2 4.23Å; L754-T758 WeakPolarHBondContact O-CB 3.45Å; L754-T758 VanDerWaalsContact O-CG2 3.31Å; L754-T758 WeakPolarHBondContact O-CG2 3.33Å; L754-T758 PolarHBondContact O-N 3.31Å; L754-T758 PolarHBondContact O-OG1 3.47Å
755L81.2Confident76.9Confident106 Ų106103.1 Ų103.156%0.55553%0.527SS*.Hα-helixtrans-64.6-45.9173.1-89.7164.7000112V751 I752 T758 V759V751-L755 HydrophobicContact CG1-CD1 4.26Å; V751-L755 PolarHBondContact O-N 2.97Å; I752-L755 PolarHBondContact O-N 3.36Å; L755-T758 WeakPolarHBondContact CA-OG1 3.4Å; L755-T758 PolarHBondContact O-N 2.92Å; L755-T758 PolarHBondContact O-OG1 2.93Å; L755-V759 WeakPolarHBondContact O-CB 3.44Å; L755-V759 VanDerWaalsContact O-CG2 3.24Å; L755-V759 WeakPolarHBondContact O-CG2 3.13Å; L755-V759 PolarHBondContact O-N 3.27Å
756L80.4Confident76.4Confident100 Ų100104.1 Ų104.152%0.52453%0.528SS..Hα-helixtrans-63.6-41.2173.3-86.6161.3000111.8I752 V759 I760I752-L756 HydrophobicContact CG2-CD1 4Å; I752-L756 WeakPolarHBondContact O-CB 3.22Å; I752-L756 PolarHBondContact O-N 2.97Å; L756-V759 PolarHBondContact O-N 2.99Å; L756-I760 VanDerWaalsContact O-CB 3.29Å; L756-I760 WeakPolarHBondContact O-CB 3.47Å; L756-I760 WeakPolarHBondContact O-CD1 3.41Å; L756-I760 WeakPolarHBondContact O-CG1 3.18Å; L756-I760 PolarHBondContact O-N 3.02Å
757G80.4Confident75.5Confident37 Ų37107.2 Ų107.238%0.38154%0.54SS..Hα-helixtrans-62-43.5176.300000112.7A753 L754 A761A753-G757 WeakPolarHBondContact O-CA 3.49Å; A753-G757 PolarHBondContact O-N 2.95Å; L754-G757 PolarHBondContact O-N 3.39Å; G757-A761 VanDerWaalsContact O-CB 3.24Å; G757-A761 WeakPolarHBondContact O-CB 3.27Å; G757-A761 PolarHBondContact O-N 3.47Å
758T78.9Confident74.5Confident75 Ų75107.9 Ų107.946%0.4655%0.548SS..Hα-helixtrans-69.1-40.7175.651.30000112.2L754 L755 A761 Y762L754-T758 HydrophobicContact CD2-CG2 4.23Å; L754-T758 WeakPolarHBondContact O-CB 3.45Å; L754-T758 VanDerWaalsContact O-CG2 3.31Å; L754-T758 WeakPolarHBondContact O-CG2 3.33Å; L754-T758 PolarHBondContact O-N 3.31Å; L754-T758 PolarHBondContact O-OG1 3.47Å; L755-T758 WeakPolarHBondContact CA-OG1 3.4Å; L755-T758 PolarHBondContact O-N 2.92Å; L755-T758 PolarHBondContact O-OG1 2.93Å; T758-A761 PolarHBondContact O-N 3.43Å; T758-Y762 VanDerWaalsContact O-CB 3.28Å; T758-Y762 WeakPolarHBondContact O-CB 3.42Å; T758-Y762 PolarHBondContact O-N 3.43Å
759V81Confident73.1Confident85 Ų85110.9 Ų110.952%0.51556%0.563SS.*Hα-helixtrans-63-43.5173.4169.50000111.4L755 L756 Y762 R763L755-V759 WeakPolarHBondContact O-CB 3.44Å; L755-V759 VanDerWaalsContact O-CG2 3.24Å; L755-V759 WeakPolarHBondContact O-CG2 3.13Å; L755-V759 PolarHBondContact O-N 3.27Å; L756-V759 PolarHBondContact O-N 2.99Å; V759-Y762 PolarHBondContact O-N 3.37Å; V759-R763 WeakPolarHBondContact O-CB 3.41Å; V759-R763 PolarHBondContact O-N 3.29Å
760I79.3Confident71.6Confident88 Ų88112.5 Ų112.545%0.45157%0.573SS.*Hα-helixtrans-65.5-43.2176.4-70164.1000110.7L756 Y762 R763 Q764L756-I760 VanDerWaalsContact O-CB 3.29Å; L756-I760 WeakPolarHBondContact O-CB 3.47Å; L756-I760 WeakPolarHBondContact O-CD1 3.41Å; L756-I760 WeakPolarHBondContact O-CG1 3.18Å; L756-I760 PolarHBondContact O-N 3.02Å; I760-Y762 VanDerWaalsContact C-N 3.34Å; I760-Y762 PolarHBondContact O-N 3.07Å; I760-R763 PolarHBondContact O-N 3.23Å; I760-Q764 HydrophobicContact CG2-CG 4.43Å; I760-Q764 WeakPolarHBondContact O-CB 3.49Å; I760-Q764 WeakPolarHBondContact O-CG 3.41Å; I760-Q764 PolarHBondContact O-N 3.33Å
761A76Confident70Confident52 Ų52115.2 Ų115.243%0.4359%0.589SS.*Hα-helixtrans-63.9-38175.900000112.3G757 T758 Q764 R765G757-A761 VanDerWaalsContact O-CB 3.24Å; G757-A761 WeakPolarHBondContact O-CB 3.27Å; G757-A761 PolarHBondContact O-N 3.47Å; T758-A761 PolarHBondContact O-N 3.43Å; A761-Q764 PolarHBondContact O-N 3.24Å; A761-R765 WeakPolarHBondContact O-CB 3.49Å; A761-R765 PolarHBondContact O-N 2.96Å
762Y76.4Confident68.2Low162 Ų162115.2 Ų115.264%0.63560%0.598SS**Hα-helixtrans-65-43.9174.2-164.7-90000111.3T758 V759 I760 R765 Q766T758-Y762 VanDerWaalsContact O-CB 3.28Å; T758-Y762 WeakPolarHBondContact O-CB 3.42Å; T758-Y762 PolarHBondContact O-N 3.43Å; V759-Y762 PolarHBondContact O-N 3.37Å; I760-Y762 VanDerWaalsContact C-N 3.34Å; I760-Y762 PolarHBondContact O-N 3.07Å; Y762-R765 WeakPolarHBondContact O-CB 3.48Å; Y762-R765 PolarHBondContact O-N 2.95Å; Y762-Q766 PolarHBondContact O-N 3.31Å; Y762-Q766 VanDerWaalsContact O-N 3.08Å
763R70.6Confident66.6Low172 Ų172117.5 Ų117.565%0.64962%0.618SS**Hα-helixtrans-67.1-37.4176.7-146.8177.7-168.9-168.63.2112.6V759 I760 Q766 H767V759-R763 WeakPolarHBondContact O-CB 3.41Å; V759-R763 PolarHBondContact O-N 3.29Å; I760-R763 PolarHBondContact O-N 3.23Å; R763-Q766 PolarHBondContact O-N 3.36Å; R763-H767 PolarHBondContact O-CD2 3.22Å; R763-H767 VanDerWaalsContact O-CD2 3.32Å; R763-H767 PolarHBondContact O-N 2.83Å
764Q63.5Low64.3Low129 Ų129126 Ų12660%0.60364%0.637SS**Hα-helixtrans-67.4-37.7172.9-77.4-177.3-11.900112.1I760 A761 Q766 H767 Q768I760-Q764 HydrophobicContact CG2-CG 4.43Å; I760-Q764 WeakPolarHBondContact O-CB 3.49Å; I760-Q764 WeakPolarHBondContact O-CG 3.41Å; I760-Q764 PolarHBondContact O-N 3.33Å; A761-Q764 PolarHBondContact O-N 3.24Å; Q764-Q766 PolarHBondContact O-N 3.48Å; Q764-H767 PolarHBondContact O-N 2.99Å; Q764-Q768 PolarHBondContact O-N 3.5Å
765R65Low62.4Low202 Ų202125.7 Ų125.776%0.76264%0.642SS**Hα-helixtrans-60.2-42.3171.7-100.4-176.5169.4-177-2.7112.3A761 Y762 H767 Q768A761-R765 WeakPolarHBondContact O-CB 3.49Å; A761-R765 PolarHBondContact O-N 2.96Å; Y762-R765 WeakPolarHBondContact O-CB 3.48Å; Y762-R765 PolarHBondContact O-N 2.95Å; R765-H767 VanDerWaalsContact C-N 3.25Å; R765-H767 PolarHBondContact O-N 3.34Å; R765-Q768 PolarHBondContact O-N 3.23Å
766Q59.2Low60.6Low122 Ų122126.9 Ų126.957%0.5766%0.656SS**Hα-helixtrans-62.3-30.9176.3-74-174-25.600112.9Y762 R763 Q764Y762-Q766 PolarHBondContact O-N 3.31Å; Y762-Q766 VanDerWaalsContact O-N 3.08Å; R763-Q766 PolarHBondContact O-N 3.36Å; Q764-Q766 PolarHBondContact O-N 3.48Å
767H55Low58.7Low160 Ų160126.4 Ų126.474%0.74167%0.666SS**THydrogen-bonded Turntrans-81-7178-79.3-60.8000115.6R763 Q764 R765R763-H767 PolarHBondContact O-CD2 3.22Å; R763-H767 VanDerWaalsContact O-CD2 3.32Å; R763-H767 PolarHBondContact O-N 2.83Å; Q764-H767 PolarHBondContact O-N 2.99Å; R765-H767 VanDerWaalsContact C-N 3.25Å; R765-H767 PolarHBondContact O-N 3.34Å
768Q53.3Low56.7Low166 Ų166130.8 Ų130.878%0.77669%0.688SS**THydrogen-bonded Turntrans-101.4-3.4176-74.4-167.4-17.700114.5Q764 R765 I770Q764-Q768 PolarHBondContact O-N 3.5Å; R765-Q768 PolarHBondContact O-N 3.23Å; Q768-I770 PolarHBondContact O-N 3.3Å; Q768-I770 VanDerWaalsContact O-N 3.1Å
769I50.8Low54.9Low131 Ų131133.8 Ų133.867%0.67271%0.707SS**  trans-80.695.4173.1-59.5179.7000108.7V771I769-V771 PolarHBondContact O-N 3.08Å
770I47.1Very low53Low163 Ų163135.4 Ų135.484%0.83672%0.719SS**  trans-63.5112.7171.6-64.2166.7000108.7Q768Q768-I770 PolarHBondContact O-N 3.3Å; Q768-I770 VanDerWaalsContact O-N 3.1Å
771V45.6Very low50.8Low129 Ų129142.8 Ų142.878%0.78274%0.741SS**PPolyproline II helixtrans-94.1129.4168.8-179.40000108.9I769I769-V771 PolarHBondContact O-N 3.08Å
772A41.9Very low48.9Very low84 Ų84146.3 Ų146.369%0.69476%0.759SS**PPolyproline II helixtrans-74.6155.8179.800000112.5
773P50Low46.7Very low122 Ų122143.5 Ų143.579%0.79277%0.77SS**PPolyproline II helixtrans-89.2143.1-170.334.5-35.5000114.4
774R33.3Very low44.9Very low240 Ų240144 Ų14491%0.90678%0.78SS**  trans177.1159.8158-104.3170.7-166.5-160.74.1109.6
775P41Very low43.5Very low114 Ų114145.5 Ų145.574%0.7479%0.786SS**  cis-109.8178.5-47.81310.6000110.6
776P43.1Very low41.8Very low132 Ų132144.4 Ų144.486%0.85779%0.79SS**PPolyproline II helixtrans-69.4144.5-179.128.1-35.8000113.9
777A41Very low40.5Very low89 Ų89147.6 Ų147.674%0.73681%0.805SS**PPolyproline II helixtrans-83.6150.2175.900000112.6
778P38Very low39.4Very low130 Ų130146.8 Ų146.884%0.84480%0.801SS**PPolyproline II helixtrans-68.2148168.129.7-33.8000111.5
779T41.5Very low38.3Very low138 Ų138147 Ų14785%0.84780%0.803SS**PPolyproline II helixtrans-78.9156.1-174.532.20000113.8
780P41Very low37.3Very low119 Ų119150 Ų15077%0.77381%0.814SS**PPolyproline II helixtrans-84.5162.8-163.134.3-37.7000114.1
781R33.3Very low36.5Very low242 Ų242150.8 Ų150.891%0.91381%0.814SS**  trans-105.3140.9153.8-69.6-171.8-176.3-1792.9109.6
782P37.5Very low35.6Very low126 Ų126153 Ų15382%0.81882%0.816SS**  trans-80.9152.3-168.932.4-36.2000113.2
783A30.1Very low35.1Very low103 Ų103158.8 Ų158.885%0.85183%0.828SS**  trans-87.3115.6168.500000110.9
784Q32.6Very low34.1Very low184 Ų184161 Ų16186%0.8683%0.828SS**  trans-135.5155.6151.4-77.7-170.8-3700107.4
785Q32.4Very low33.7Very low159 Ų159157.9 Ų157.974%0.74382%0.824SS**  trans73.874.1179.6-56177.1-47.100117.2
786Q31.1Very low33Very low180 Ų180160.2 Ų160.284%0.84183%0.825SS**  trans-133.734.4145.8-95.2-171.4-24.600111.2
787Q30.9Very low32.3Very low189 Ų189161.5 Ų161.588%0.88382%0.819SS**SBendtrans-117.125.6179.1-121178.8-11.300112.3
788Q31.6Very low31.7Very low142 Ų142166.4 Ų166.466%0.66483%0.827SS**SBendtrans-13722.6-178.2-72.7-173.8-62.900113.4
789Q29.9Very low31.3Very low172 Ų172168.8 Ų168.880%0.80483%0.827SS**SBendtrans-112.927.6172.7-74.9-176.2-4200112.2
790Q30.5Very low31.8Very low193 Ų193166.5 Ų166.590%0.90281%0.814SS**SBendtrans-126.57.9178.9-95.9-174.4-36.100114.3
791E29.5Very low31.1Very low179 Ų179169.3 Ų169.384%0.83682%0.817SS**SBendtrans-13931.1-177.8-67.5-177144.900112.6
792Q27Very low30.9Very low176 Ų176162 Ų16282%0.82281%0.808SS**SBendtrans-143.236.1174.1-69.2-163.2-5700113.5
793E31.5Very low30.4Very low206 Ų206164.7 Ų164.796%0.96381%0.81SS**SBendtrans-111.36.1160.1-82.7-170.1152.500112.2
794E28.9Very low30.3Very low169 Ų169164 Ų16479%0.7980%0.804SS**SBendtrans-116.4130.7165.4-69.3-176.2143.100107.9
795E26.3Very low30.3Very low173 Ų173164 Ų16481%0.80880%0.804SS**  trans65.1135.9169.9-58.1170.6175.300115.1
796E25.6Very low31.4Very low164 Ų164161.2 Ų161.277%0.76680%0.8SS**  cis-159.3-179.52.6-130.3171.7-171.800110.9
797E28Very low31.3Very low159 Ų159161.5 Ų161.574%0.74380%0.801SS**  trans-50159.6173.2-63.5172.313600117.5
798E29.5Very low31.2Very low192 Ų192159 Ų15990%0.89779%0.794SS**  trans69.2147.4147.1-71.8-172.4157.500123.8
799E29.3Very low31.1Very low180 Ų180160.3 Ų160.384%0.84180%0.8SS**  trans-68.9-172.4176.3-109.2-171.6179.700113.5
800P51Low31.2Very low90 Ų90159.8 Ų159.858%0.58480%0.798SS**  cis-142.6175.72.721.16.5000118.9
801Q26.7Very low31.3Very low178 Ų178158.5 Ų158.583%0.83279%0.792SS**  trans81.7134.2136.2-85.8167.936.900125.6
802A28.5Very low31.4Very low87 Ų87156.5 Ų156.572%0.71979%0.792SS**  trans72.6143.1146.600000118.9
803Q27.4Very low32.6Very low183 Ų183154 Ų15486%0.85579%0.791SS**  cis-162.3157.61.2-122.7167.511.200110.4
804A29.1Very low32.5Very low88 Ų88149.4 Ų149.473%0.72779%0.788SS**  trans31.5144.9142.300000121.7
805E31.4Very low32.6Very low186 Ų186146.6 Ų146.687%0.86979%0.793SS**  cis-166-178.310.4-114-172.7173.800109.3
806P56.1Low32.7Very low100 Ų100141.8 Ų141.865%0.64979%0.79SS**  trans-121.7-175.1-150.645.9-36.7000116.6
807Q27.9Very low33Very low185 Ų185143.1 Ų143.186%0.86480%0.797SS**  trans-178.4152.6151-10115927.100108.2
808D29.9Very low33.1Very low138 Ų138139.6 Ų139.674%0.73880%0.795SS**  cis170.9168-33.2-111.8-29000106.6
809Q30Very low33.2Very low169 Ų169139.4 Ų139.479%0.7979%0.793SS**  trans79.1110.9171.4-64.4171.80.800116.9
810E30.9Very low33.4Very low161 Ų161139.2 Ų139.275%0.75279%0.792SS**  82.8103.966.5-76.4-177.9151.200112.3
811E32.7Very low32.5Very low166 Ų166144.3 Ų144.378%0.77681%0.809SS**  83.7118.696.7-77.3-156.2159.900115.1
812T31.5Very low32.9Very low136 Ų136144.5 Ų144.583%0.83481%0.81SS**  174.6158.2108.331.70000112.3
813P52.4Low33.2Very low124 Ų124147.9 Ų147.981%0.80581%0.81SS**  trans-112.1171.9-171.241.6-33.2000114.8
814A29.3Very low33.6Very low110 Ų110145.7 Ų145.791%0.90980%0.8SS**  trans-151.5154.616300000111.8
815A30.9Very low34.1Very low109 Ų109149.8 Ų149.890%0.90180%0.804SS**  trans-126.1174.6-169.700000113.5
816G29Very low34.7Very low72 Ų72153.9 Ų153.974%0.74282%0.823SS**  trans108.8144.8172.300000113.3
817E30.5Very low33.6Very low192 Ų192156.6 Ų156.690%0.89783%0.832SS**  cis-176.1152.8-8.5-131.9177.9-175.600106.6
818A30.6Very low33.9Very low85 Ų85155.1 Ų155.170%0.70283%0.83SS**  trans30.3126.9159.300000122.5
819H31.5Very low34.2Very low188 Ų188156 Ų15687%0.8784%0.835SS**  -161.7148.2104-113.5-77.8000113.3
820Q33.3Very low34.4Very low176 Ų176155.2 Ų155.282%0.82284%0.838SS**  trans-85.9152.2169.7-58.9163.7-73.200110.2
821E33Very low34.6Very low198 Ų198154.9 Ų154.993%0.92584%0.843SS**  trans-157149.4137.1-118.7166-160.200111.1
822E34.8Very low34.7Very low182 Ų182154.1 Ų154.185%0.8585%0.848SS**  trans-91.2156.8-177.1-61167.511200110.7
823E35.1Very low35Very low158 Ų158155.4 Ų155.474%0.73885%0.849SS**  162.8139.5110.9-84.6-146.7113.500115.6
824Q35.5Very low33.6Very low136 Ų136157.8 Ų157.864%0.63685%0.852SS**  trans62.9105.5141.4-65.1-176.42500123
825Q40.5Very low34Very low174 Ų174161.8 Ų161.881%0.81385%0.847SS**  51116.2112.4-64.6175.1-3.900120.4
826Q43.5Very low34.3Very low272 Ų272166.6 Ų166.6100%1.27184%0.843SS**  -151.30104.8-108.7174.420.200111.3

Retrieved 826 of 826 residues in 1053.7 ms (Link to these results)

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