A0A3Q0KQX2_SCHMA Loading...

Putative forkhead protein/ forkhead protein domain

AlphaFold DB , UniProt , Accession A0A3Q0KQX2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 972 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
1M41Very low60.7Low207 Ų207100.6 Ų100.6100%1.0253%0.528SS*.  0-91.50-68.2-172.6-178.900110.9H3 S4 Y5M1-H3 PolarHBondContact O-N 3.2Å; M1-S4 WeakPolarHBondContact O-CA 3.5Å; M1-S4 WeakPolarHBondContact O-CB 3.39Å; M1-S4 PolarHBondContact O-N 3.29Å; M1-Y5 PolarHBondContact O-N 2.95Å
2L55.1Low60.9Low134 Ų134106.7 Ų106.770%0.70254%0.539SS*.Hα-helixtrans-53.7-45.4-170-155.785.5000114.1Y5 L6L2-Y5 PolarHBondContact O-N 3.43Å; L2-L6 HydrophobicContact CD2-CD1 4.42Å; L2-L6 HydrophobicContact CG-CD1 4.38Å; L2-L6 WeakPolarHBondContact O-CG 3.21Å; L2-L6 PolarHBondContact O-N 3.18Å
3H54.1Low60.1Low140 Ų140103.2 Ų103.265%0.64852%0.522SS*.Hα-helixtrans-60.8-47.8175.1-168.1-40.9000112.1M1 Y5 L6 T7M1-H3 PolarHBondContact O-N 3.2Å; H3-Y5 VanDerWaalsContact C-N 3.29Å; H3-Y5 PolarHBondContact O-N 3.4Å; H3-L6 PolarHBondContact O-N 2.67Å; H3-T7 PolarHBondContact CE1-OG1 3.32Å; H3-T7 PolarHBondContact ND1-OG1 3.46Å; H3-T7 WeakPolarHBondContact O-CB 3.35Å; H3-T7 PolarHBondContact O-N 3.08Å; H3-T7 PolarHBondContact O-OG1 3.1Å
4S60Low59.4Low78 Ų78102.3 Ų102.355%0.54553%0.527SS..Hα-helixtrans-57.9-41.2175.9-45.40000111.9M1 T7 D8M1-S4 WeakPolarHBondContact O-CA 3.5Å; M1-S4 WeakPolarHBondContact O-CB 3.39Å; M1-S4 PolarHBondContact O-N 3.29Å; S4-T7 PolarHBondContact O-N 3.11Å; S4-D8 VanDerWaalsContact O-CB 3.27Å; S4-D8 WeakPolarHBondContact O-CB 3.41Å; S4-D8 PolarHBondContact O-N 3.14Å
5Y62Low59.4Low157 Ų157100.9 Ų100.962%0.61653%0.53SS*.Hα-helixtrans-66.5-40.9179-172.4-106.4000112.1M1 L2 H3 D8 I9M1-Y5 PolarHBondContact O-N 2.95Å; L2-Y5 PolarHBondContact O-N 3.43Å; H3-Y5 VanDerWaalsContact C-N 3.29Å; H3-Y5 PolarHBondContact O-N 3.4Å; Y5-D8 PolarHBondContact O-N 3.28Å; Y5-I9 HydrophobicContact CD1-CD1 3.81Å; Y5-I9 HydrophobicContact CE1-CD1 3.45Å; Y5-I9 VanDerWaalsContact CE1-CD1 3.45Å; Y5-I9 WeakPolarHBondContact O-CG1 3.12Å; Y5-I9 PolarHBondContact O-N 2.81Å
6L66.6Low59.1Low82 Ų8298.9 Ų98.943%0.42952%0.519SS..Hα-helixtrans-69.9-36.3174.5-68.2172000112.4L2 H3 G10L2-L6 HydrophobicContact CD2-CD1 4.42Å; L2-L6 HydrophobicContact CG-CD1 4.38Å; L2-L6 WeakPolarHBondContact O-CG 3.21Å; L2-L6 PolarHBondContact O-N 3.18Å; H3-L6 PolarHBondContact O-N 2.67Å; L6-G10 PolarHBondContact O-N 3.46Å
7T68.6Low58.6Low71 Ų7196.3 Ų96.344%0.43651%0.508SS..Hα-helixtrans-65.7-42.4172.7-56.40000111.2H3 S4 G10 T11H3-T7 PolarHBondContact CE1-OG1 3.32Å; H3-T7 PolarHBondContact ND1-OG1 3.46Å; H3-T7 WeakPolarHBondContact O-CB 3.35Å; H3-T7 PolarHBondContact O-N 3.08Å; H3-T7 PolarHBondContact O-OG1 3.1Å; S4-T7 PolarHBondContact O-N 3.11Å; T7-G10 CarbonylContact O-C 3.6Å; T7-G10 WeakPolarHBondContact O-CA 3.26Å; T7-G10 PolarHBondContact O-N 2.95Å; T7-G10 VanDerWaalsContact O-N 3.09Å; T7-T11 PolarHBondContact O-N 3.15Å; T7-T11 PolarHBondContact O-OG1 3.2Å
8D62.7Low58Low70 Ų7095.6 Ų95.637%0.37451%0.512SS..Hα-helixtrans-72.8-28.9-179.5-15553000112.5S4 Y5 T11 R12S4-D8 VanDerWaalsContact O-CB 3.27Å; S4-D8 WeakPolarHBondContact O-CB 3.41Å; S4-D8 PolarHBondContact O-N 3.14Å; Y5-D8 PolarHBondContact O-N 3.28Å; D8-T11 WeakPolarHBondContact CA-OG1 3.46Å; D8-T11 PolarHBondContact O-OG1 3.47Å; D8-R12 VanDerWaalsContact O-CB 3.26Å; D8-R12 WeakPolarHBondContact O-CB 3.25Å; D8-R12 WeakPolarHBondContact O-CD 3.33Å; D8-R12 WeakPolarHBondContact O-CG 3.32Å; D8-R12 PolarHBondContact O-N 3.22Å; D8-R12 VanDerWaalsContact O-N 3.12Å; D8-R12 IonicContact OD1-NE 3.76Å; D8-R12 IonicContact OD1-NH2 3.99Å; D8-R12 IonicContact OD2-CZ 3.18Å; D8-R12 IonicContact OD2-NE 2.78Å; D8-R12 PolarHBondContact OD2-NE 3.35Å; D8-R12 IonicContact OD2-NH2 2.73Å; D8-R12 PolarHBondContact OD2-NH2 2.98Å
9I67.5Low57.9Low54 Ų54100.3 Ų100.328%0.27753%0.528SS..Hα-helixtrans-66.5-42.4164.4-73.6169.5000110.6Y5 R12 N13 I16Y5-I9 HydrophobicContact CD1-CD1 3.81Å; Y5-I9 HydrophobicContact CE1-CD1 3.45Å; Y5-I9 VanDerWaalsContact CE1-CD1 3.45Å; Y5-I9 WeakPolarHBondContact O-CG1 3.12Å; Y5-I9 PolarHBondContact O-N 2.81Å; I9-R12 PolarHBondContact O-N 3.38Å; I9-N13 PolarHBondContact O-N 2.98Å; I9-I16 HydrophobicContact CG2-CG2 4.15Å
10G61.6Low57.5Low16 Ų16101.2 Ų101.217%0.16553%0.532CS..Hα-helixtrans-67.7-31.5-179.100000114.7L6 T7L6-G10 PolarHBondContact O-N 3.46Å; T7-G10 CarbonylContact O-C 3.6Å; T7-G10 WeakPolarHBondContact O-CA 3.26Å; T7-G10 PolarHBondContact O-N 2.95Å; T7-G10 VanDerWaalsContact O-N 3.09Å
11T67.9Low56.6Low98 Ų98103.5 Ų103.560%0.60153%0.534SS*.Hα-helixtrans-79.3-41.517352.50000112.1T7 D8T7-T11 PolarHBondContact O-N 3.15Å; T7-T11 PolarHBondContact O-OG1 3.2Å; D8-T11 WeakPolarHBondContact CA-OG1 3.46Å; D8-T11 PolarHBondContact O-OG1 3.47Å
12R63.4Low56.7Low173 Ų17399.1 Ų99.165%0.65352%0.521SS*.Hα-helixtrans-72.3-24.9179.3-68.9174.7-164.7-114.56113.7D8 I9D8-R12 VanDerWaalsContact O-CB 3.26Å; D8-R12 WeakPolarHBondContact O-CB 3.25Å; D8-R12 WeakPolarHBondContact O-CD 3.33Å; D8-R12 WeakPolarHBondContact O-CG 3.32Å; D8-R12 PolarHBondContact O-N 3.22Å; D8-R12 VanDerWaalsContact O-N 3.12Å; D8-R12 IonicContact OD1-NE 3.76Å; D8-R12 IonicContact OD1-NH2 3.99Å; D8-R12 IonicContact OD2-CZ 3.18Å; D8-R12 IonicContact OD2-NE 2.78Å; D8-R12 PolarHBondContact OD2-NE 3.35Å; D8-R12 IonicContact OD2-NH2 2.73Å; D8-R12 PolarHBondContact OD2-NH2 2.98Å; I9-R12 PolarHBondContact O-N 3.38Å
13N50.3Low55.9Low61 Ų6198 Ų9833%0.32652%0.524SS..  trans-146.878.9-176.2-158.4-39.9000112.4I9 S15 I16I9-N13 PolarHBondContact O-N 2.98Å; N13-S15 PolarHBondContact O-N 2.78Å; N13-S15 VanDerWaalsContact O-N 3.08Å; N13-S15 PolarHBondContact OD1-OG 3.16Å; N13-I16 HydrophobicContact CB-CB 4.46Å; N13-I16 HydrophobicContact CB-CD1 3.94Å; N13-I16 HydrophobicContact CB-CG1 4.24Å; N13-I16 PolarHBondContact O-N 3.12Å
14P50.4Low54.7Low91 Ų9198.9 Ų98.959%0.59152%0.523SS*.Hα-helixtrans-62.9-15.6-178.924.4-34.3000114.2I16 T17P14-I16 VanDerWaalsContact C-N 3.27Å; P14-I16 PolarHBondContact O-N 3.14Å; P14-T17 PolarHBondContact O-OG1 3.24Å; P14-T17 VanDerWaalsContact O-OG1 3.11Å
15S59Low53.3Low82 Ų82102 Ų10257%0.57353%0.534SS*.Hα-helixtrans-73-11.6170.820.60000114.6N13 S18N13-S15 PolarHBondContact O-N 2.78Å; N13-S15 VanDerWaalsContact O-N 3.08Å; N13-S15 PolarHBondContact OD1-OG 3.16Å; S15-S18 PolarHBondContact O-OG 2.78Å
16I55.8Low51.8Low69 Ų69101.3 Ų101.335%0.35454%0.54SS..Hα-helixtrans-95.3-36.2177.9-70.8177.3000111.7I9 N13 P14 S18 K19 L20I9-I16 HydrophobicContact CG2-CG2 4.15Å; N13-I16 HydrophobicContact CB-CB 4.46Å; N13-I16 HydrophobicContact CB-CD1 3.94Å; N13-I16 HydrophobicContact CB-CG1 4.24Å; N13-I16 PolarHBondContact O-N 3.12Å; P14-I16 VanDerWaalsContact C-N 3.27Å; P14-I16 PolarHBondContact O-N 3.14Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 2.95Å; I16-K19 PolarHBondContact O-N 3.09Å; I16-K19 VanDerWaalsContact O-N 3.15Å; I16-L20 HydrophobicContact CG2-CD1 3.79Å; I16-L20 PolarHBondContact O-N 2.93Å
17T49.4Very low50.1Low54 Ų54105.7 Ų105.733%0.33156%0.558SS.*Hα-helixtrans-61.8-37.5-179.826.50000113.1P14 K19 L20 W21P14-T17 PolarHBondContact O-OG1 3.24Å; P14-T17 VanDerWaalsContact O-OG1 3.11Å; T17-K19 PolarHBondContact O-N 2.85Å; T17-L20 PolarHBondContact O-N 3.48Å; T17-L20 VanDerWaalsContact O-N 3.14Å; T17-W21 PolarHBondContact O-N 2.88Å
18S48.8Very low48.2Very low83 Ų83109.1 Ų109.158%0.5858%0.579SS**Hα-helixtrans-62.4-21.7176.661.20000114.4S15 I16S15-S18 PolarHBondContact O-OG 2.78Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 2.95Å
19K55.5Low46.5Very low186 Ų186110 Ų11081%0.80960%0.597SS**Hα-helixtrans-95.1-16.5176-70.6-175.7177.2178.50114I16 T17I16-K19 PolarHBondContact O-N 3.09Å; I16-K19 VanDerWaalsContact O-N 3.15Å; T17-K19 PolarHBondContact O-N 2.85Å
20L49.8Very low44.7Very low118 Ų118112.2 Ų112.262%0.61862%0.617SS**Hα-helixtrans-103.1-29.1-178.2-78.3169.3000113.9I16 T17I16-L20 HydrophobicContact CG2-CD1 3.79Å; I16-L20 PolarHBondContact O-N 2.93Å; T17-L20 PolarHBondContact O-N 3.48Å; T17-L20 VanDerWaalsContact O-N 3.14Å
21W39.9Very low43.3Very low149 Ų149117.5 Ų117.556%0.56465%0.646SS**  trans-133.789.9177.5-83.7-12.1000112.8T17 S23 Y24T17-W21 PolarHBondContact O-N 2.88Å; W21-S23 PolarHBondContact O-N 3.38Å; W21-Y24 AromaticContact CD2-CD2 3.77Å; W21-Y24 HydrophobicContact CD2-CD2 3.77Å; W21-Y24 HydrophobicContact CD2-CE2 4.24Å; W21-Y24 AromaticContact CE3-CD2 3.47Å; W21-Y24 HydrophobicContact CE3-CD2 3.47Å; W21-Y24 VanDerWaalsContact CE3-CD2 3.47Å; W21-Y24 HydrophobicContact CE3-CE2 4.03Å; W21-Y24 HydrophobicContact CE3-CG 4.08Å; W21-Y24 HydrophobicContact CG-CD2 4.33Å; W21-Y24 HydrophobicContact CH2-CD2 4.32Å; W21-Y24 HydrophobicContact CH2-CE2 4.04Å; W21-Y24 HydrophobicContact CZ2-CE2 4.25Å; W21-Y24 AromaticContact CZ3-CD2 3.78Å; W21-Y24 HydrophobicContact CZ3-CD2 3.78Å; W21-Y24 AromaticContact CZ3-CE2 3.92Å; W21-Y24 HydrophobicContact CZ3-CE2 3.92Å; W21-Y24 HydrophobicContact CZ3-CG 4.33Å
22P42.7Very low41.4Very low116 Ų116119 Ų11975%0.75365%0.654SS**THydrogen-bonded Turntrans-71.218.8174.2-19.634.3000115.7
23S36.9Very low39.8Very low109 Ų109117.8 Ų117.876%0.76266%0.661SS**THydrogen-bonded Turntrans-152.517.6-166.2-50.80000116.4W21W21-S23 PolarHBondContact O-N 3.38Å
24Y30.2Very low38.6Very low160 Ų160123.8 Ų123.863%0.62769%0.685SS**  trans-105.993.6169.6-100.6-81.1000110.5W21 L26W21-Y24 AromaticContact CD2-CD2 3.77Å; W21-Y24 HydrophobicContact CD2-CD2 3.77Å; W21-Y24 HydrophobicContact CD2-CE2 4.24Å; W21-Y24 AromaticContact CE3-CD2 3.47Å; W21-Y24 HydrophobicContact CE3-CD2 3.47Å; W21-Y24 VanDerWaalsContact CE3-CD2 3.47Å; W21-Y24 HydrophobicContact CE3-CE2 4.03Å; W21-Y24 HydrophobicContact CE3-CG 4.08Å; W21-Y24 HydrophobicContact CG-CD2 4.33Å; W21-Y24 HydrophobicContact CH2-CD2 4.32Å; W21-Y24 HydrophobicContact CH2-CE2 4.04Å; W21-Y24 HydrophobicContact CZ2-CE2 4.25Å; W21-Y24 AromaticContact CZ3-CD2 3.78Å; W21-Y24 HydrophobicContact CZ3-CD2 3.78Å; W21-Y24 AromaticContact CZ3-CE2 3.92Å; W21-Y24 HydrophobicContact CZ3-CE2 3.92Å; W21-Y24 HydrophobicContact CZ3-CG 4.33Å; Y24-L26 PolarHBondContact O-N 3.48Å
25N30.4Very low37.6Very low143 Ų143128.5 Ų128.577%0.76570%0.698SS**  trans-67.9117.4166.8-96.912000109.2
26L30.8Very low36Very low143 Ų143130.4 Ų130.475%0.74971%0.711SS**  trans-107.356.3179-132.782000111.7Y24 T28Y24-L26 PolarHBondContact O-N 3.48Å; L26-T28 PolarHBondContact O-N 2.9Å
27E30.2Very low34.8Very low173 Ų173134 Ų13481%0.80874%0.736SS**  trans-85.176.9173.1-69.7-170.3130.900111.1
28T28.9Very low34Very low143 Ų143136.2 Ų136.288%0.87775%0.754SS**  trans-172.963.3159.311.70000111.2L26L26-T28 PolarHBondContact O-N 2.9Å
29A26.9Very low33Very low90 Ų90138.8 Ų138.874%0.74476%0.761SS**  trans-139.747.6-179.100000113.3
30S31.1Very low31.9Very low100 Ų100136.5 Ų136.570%0.69976%0.758SS**  trans-117.290.7179.242.80000112.6V32S30-V32 PolarHBondContact O-N 3.39Å
31T30.5Very low31Very low127 Ų127138.1 Ų138.178%0.77977%0.767SS**  trans16.896.7146.854.30000118N33T31-N33 PolarHBondContact O-N 3.47Å
32V28.2Very low30.5Very low128 Ų128135.7 Ų135.778%0.77677%0.773SS**  trans-89.277.6159.5-175.40000108.9S30 F34S30-V32 PolarHBondContact O-N 3.39Å; V32-F34 HydrophobicContact CG1-CD2 4.43Å; V32-F34 HydrophobicContact CG1-CE2 4.26Å
33N30.1Very low30Very low148 Ų148137.4 Ų137.479%0.79178%0.776SS**  trans-85.8116.4166.8-100.9-8.4000109.1T31 H35T31-N33 PolarHBondContact O-N 3.47Å; N33-H35 PolarHBondContact O-N 3.34Å
34F24.8Very low29.6Very low188 Ų188138.7 Ų138.783%0.82578%0.779SS**  trans-69.6108.9170.7-83.2-98.7000110V32V32-F34 HydrophobicContact CG1-CD2 4.43Å; V32-F34 HydrophobicContact CG1-CE2 4.26Å
35H30.4Very low29.6Very low190 Ų190139.3 Ų139.388%0.8879%0.792SS**  trans-136.3129.9158.8-103.538.9000109.9N33N33-H35 PolarHBondContact O-N 3.34Å
36S24.4Very low29.6Very low121 Ų121140.8 Ų140.885%0.84679%0.792SS**  trans-94.8121.4-174.551.80000111.5
37V31.8Very low29.3Very low144 Ų144141.1 Ų141.187%0.87379%0.793SS**  trans-133.1146.2162.3-1770000108.7
38S31.8Very low29.4Very low101 Ų101140.8 Ų140.871%0.70680%0.795SS**  trans-80.9156.3-168.153.50000115.2
39N27.1Very low29.3Very low138 Ų138140.8 Ų140.874%0.73879%0.79SS**  trans-2.1135.2151.2-50.7-7.7000117.6
40N32.5Very low30Very low138 Ų138141.8 Ų141.874%0.73879%0.788SS**  -173.7140.998.3-90.9-29.5000114.1
41N32.2Very low29.9Very low151 Ų151146.1 Ų146.181%0.80780%0.798SS**  trans66.1155.9150.7-60.2-7.4000121
42S28.1Very low30Very low98 Ų98143.3 Ų143.369%0.68579%0.794SS**  trans-82.5158.4175.755.30000111.9
43D33.2Very low30.1Very low153 Ų153147.7 Ų147.782%0.81880%0.803SS**  -169.3155.7102.2-91.4-7.1000112.3
44T27.9Very low29.9Very low136 Ų136146 Ų14683%0.83480%0.803SS**  trans-85.1134.7177.750.70000110.9
45L30Very low30.3Very low172 Ų172144.7 Ų144.790%0.90180%0.801SS**  trans-152.2172.5156.1-113.7172.6000112.4
46K30.4Very low30.2Very low175 Ų175142.3 Ų142.376%0.76180%0.795SS**  trans-105.3149.7-154.4-70.2174178.4174.30114
47I25.4Very low30.3Very low150 Ų150142.4 Ų142.477%0.76979%0.794SS**  trans45.5120.3136.2-56.8163.7000117.7
48I32.1Very low30.3Very low166 Ų166141.7 Ų141.785%0.85179%0.791SS**  -159.4142.4127.1-98.1145.9000107.9
49N26.4Very low30.2Very low142 Ų142147.9 Ų147.976%0.75980%0.798SS**  trans-135.3121.8179-171.648.1000109.3
50P42Very low30.3Very low111 Ų111150.2 Ų150.272%0.72180%0.802SS**  trans-99.3118.9173.933.7-26.8000111.5
51E29.3Very low30.4Very low191 Ų191148.8 Ų148.889%0.89380%0.801SS**  trans-72.5150.1168.3-59.3-177.1150.600111
52G31.9Very low30.1Very low68 Ų68148.2 Ų148.270%0.70180%0.803SS**  trans174.483.7175.300000116.6
53F30.9Very low30.3Very low220 Ų220149.2 Ų149.297%0.96581%0.805SS**  trans123.9142.4155.4-76.5-76.8000116.4
54S26.2Very low30.1Very low113 Ų113152.6 Ų152.679%0.7981%0.808SS**  trans-147.3-179-166.2-175.40000110.4
55M31.2Very low30.1Very low161 Ų161154.9 Ų154.979%0.79381%0.809SS**  trans84.6132.4-174.2-49.6-143.4-168.800114.9
56N30.3Very low30.2Very low140 Ų140155 Ų15575%0.74981%0.805SS**  cis-156.1146-7.2-113.3-18.7000111.2
57C24.9Very low30.4Very low123 Ų123152 Ų15283%0.83181%0.806SS**  trans-127.6133.7174.9-70.60000112.6
58T31.5Very low30.8Very low129 Ų129153 Ų15379%0.79181%0.807SS**  trans-154.9139173.951.40000107.8
59R30.3Very low30.6Very low230 Ų230151.8 Ų151.887%0.86880%0.803SS**  cis-141.6137-0.8-97.2162.9164.5161.6-6.9105.7
60F29.4Very low31Very low188 Ų188152.1 Ų152.183%0.82580%0.804SS**  59.2145.872.2-80.3-64.8000115.6
61P34.9Very low30.4Very low108 Ų108153.6 Ų153.670%0.70181%0.806SS**  cis-133.4169.2-5.739.5-22.5000116.5
62T26.7Very low30.6Very low139 Ų139153.2 Ų153.285%0.85380%0.804SS**  trans-110.8151.4158.147.30000109.9
63T31.9Very low30.4Very low119 Ų119155.3 Ų155.373%0.7380%0.803SS**  trans-142.5110.4175.752.10000112.2
64Y29.1Very low30.4Very low224 Ų224154.9 Ų154.988%0.87880%0.797SS**  178.3123.4125.8-114.7-82.5000110.2
65E28.1Very low30.6Very low184 Ų184157.3 Ų157.386%0.8680%0.8SS**  trans-121145.1161.5-67.8-176.3116.200107.5
66E31.3Very low30.4Very low175 Ų175155.6 Ų155.682%0.81880%0.799SS**  trans-178.7176.3141.1-108.4-177.2171.500112.2
67S34Very low30.5Very low112 Ų112157.1 Ų157.178%0.78381%0.807SS**  trans64.288.8-170.9660000114
68Q33.6Very low30.7Very low170 Ų170154.7 Ų154.779%0.79480%0.802SS**  77.7107.364.8-66.5-160.66.900116.6
69N29.6Very low30.7Very low141 Ų141154.2 Ų154.275%0.75480%0.804SS**  36.1112.5130-58-14.4000120.7
70N33.5Very low30.7Very low148 Ų148147.6 Ų147.679%0.79179%0.793SS**  -154.2134.9123.6-87.9-47.5000106.8
71L30.3Very low30.8Very low143 Ų143146.5 Ų146.575%0.74980%0.796SS**  53.6124.286.2-94.374.8000112.2
72E32.6Very low30.6Very low182 Ų182148.1 Ų148.185%0.8580%0.799SS**  cis-141.7178.620.5-101.3173.1152.200114.9
73T28.3Very low30.8Very low112 Ų112149.1 Ų149.169%0.68780%0.799SS**  trans-99.1-179.8-179.3-50.70000111.6
74Y30.6Very low30.7Very low212 Ų212148.8 Ų148.883%0.83180%0.801SS**  trans78.4135.1173.1-46.4-78.3000114.3
75L31.3Very low30.7Very low164 Ų164143.4 Ų143.486%0.85979%0.792SS**  cis-133.7167.417.6-77.3167.6000113.3
76T27.1Very low30.6Very low125 Ų125145.4 Ų145.477%0.76779%0.793SS**  trans-101.6135172.750.30000112.1
77D31.9Very low30.5Very low172 Ų172144 Ų14492%0.9279%0.789SS**  trans-170.3152.9145-96.7-26.3000109
78G29.1Very low30.2Very low71 Ų71149.4 Ų149.473%0.73279%0.793SS**  cis156.131.5-0.400000116
79S31.2Very low30Very low119 Ų119147.1 Ų147.183%0.83279%0.793SS**  trans-159141.4170-166.40000114.3
80S29.7Very low29.9Very low92 Ų92147.2 Ų147.264%0.64379%0.787SS**  trans-95.1145.3171.757.30000111.6
81N32.3Very low29.6Very low164 Ų164146.9 Ų146.988%0.87779%0.785SS**  trans-154.9132.2140.1-103.7-37.4000111.6
82N29.4Very low29.6Very low143 Ų143148.4 Ų148.477%0.76579%0.793SS**  trans-86.1140.6-179-60-46.5000110.5
83N31.8Very low29.3Very low160 Ų160145.2 Ų145.286%0.85679%0.789SS**  trans-169.673.1153.7-98.6-28.9000111.1
84S29.6Very low29.2Very low111 Ų111144.9 Ų144.978%0.77679%0.792SS**  trans-10369.2175.545.60000111.5Y86S84-Y86 PolarHBondContact O-N 3.01Å
85T29.4Very low29.2Very low111 Ų111146.4 Ų146.468%0.68180%0.796SS**  trans-70.294.7-179.4-49.90000111.7I87T85-I87 HydrophobicContact CG2-CD1 4.41Å; T85-I87 HydrophobicContact CG2-CG1 4.03Å; T85-I87 PolarHBondContact O-N 2.73Å
86Y25.8Very low29Very low226 Ų226144.1 Ų144.189%0.88679%0.794SS**  trans-63.3115.8167.5-110.6-96.2000110.3S84S84-Y86 PolarHBondContact O-N 3.01Å
87I30.2Very low29.1Very low145 Ų145145 Ų14574%0.74479%0.792SS**  trans-112124.7170.4-59.5-177.8000108.7T85T85-I87 HydrophobicContact CG2-CD1 4.41Å; T85-I87 HydrophobicContact CG2-CG1 4.03Å; T85-I87 PolarHBondContact O-N 2.73Å
88R26.1Very low28.9Very low226 Ų226142.7 Ų142.785%0.85379%0.787SS**  trans-88.2137.9175.6-54.1-179.5-171.5-176.12.7109.8
89P30.6Very low29Very low122 Ų122145.9 Ų145.979%0.79279%0.786SS**  trans-89115.4164.232.5-28.6000110.6
90F27.3Very low28.8Very low143 Ų143148.7 Ų148.763%0.62779%0.785SS**  trans-139.9151.2157.2-110.4-86.5000107.8Y322F90-Y322 WeakPolarHBondContact CE2-OH 3.44Å; F90-Y322 AromaticContact CZ-CE1 3.83Å; F90-Y322 HydrophobicContact CZ-CE1 3.83Å; F90-Y322 HydrophobicContact CZ-CE2 4.49Å; F90-Y322 AromaticContact CZ-CZ 3.62Å; F90-Y322 WeakPolarHBondContact CZ-OH 3.44Å
91D27Very low28.8Very low141 Ų141152.8 Ų152.875%0.75479%0.791SS**  trans58.7118.8-179.3-50.3-30.8000114.8
92L30.5Very low28.7Very low175 Ų175149.7 Ų149.792%0.91678%0.78SS**  -159.7149.273.2-91.4161.9000112.7
93C25.4Very low28.4Very low115 Ų115149.2 Ų149.278%0.77778%0.783SS**  trans-78.4157.5168.2-69.80000112.5
94S27Very low28.3Very low106 Ų106150.5 Ų150.574%0.74178%0.781SS**  trans58.995.7147.5-59.50000119.2
95R29.8Very low28.1Very low244 Ų244152 Ų15292%0.92178%0.78SS**  179.6150.6104.1-94.5158.5-177.1-1710.5112.7
96S27Very low28.1Very low115 Ų115153.6 Ų153.680%0.80479%0.785SS**  trans-90.3134.7178.1-480000111.3
97I30.3Very low28.1Very low145 Ų145152.9 Ų152.974%0.74478%0.782SS**  trans-135.3118.2168-58178.1000108.3I99I97-I99 HydrophobicContact CG2-CG1 4.43Å
98P27.7Very low28.1Very low123 Ų123155.2 Ų155.280%0.79979%0.79SS**  trans-85.5140.8169.233.7-31000110.5
99I31.6Very low28.2Very low138 Ų138149.5 Ų149.571%0.70878%0.784SS**  trans-121.1128.7171.5-62.7179.8000108.5I97 F101I97-I99 HydrophobicContact CG2-CG1 4.43Å; I99-F101 HydrophobicContact CG2-CD2 3.86Å; I99-F101 HydrophobicContact CG2-CE2 3.56Å; I99-F101 HydrophobicContact CG2-CZ 4.45Å
100H26.2Very low28.3Very low178 Ų178148.9 Ų148.982%0.82478%0.781SS**  trans-107.4133.5-178-138.2-51000109.2
101F29.3Very low28.5Very low177 Ų177150.3 Ų150.378%0.77679%0.789SS**  trans-133.5159.4165.7-80.6-65.3000109.5I99I99-F101 HydrophobicContact CG2-CD2 3.86Å; I99-F101 HydrophobicContact CG2-CE2 3.56Å; I99-F101 HydrophobicContact CG2-CZ 4.45Å
102P29.8Very low28.5Very low99 Ų99151.2 Ų151.264%0.64379%0.788SS**  trans-111.7157.6-141.520.6-1.2000115
103T24.9Very low28.6Very low133 Ų133151 Ų15182%0.81679%0.787SS**  trans-69.1135.6166.546.80000111.7
104F30Very low28.7Very low188 Ų188153 Ų15383%0.82579%0.785SS**  trans-125.2112.5161.9-101.8-83.6000109.8
105N25.2Very low28.8Very low142 Ų142155.3 Ų155.376%0.75979%0.787SS**  trans-94.6135.5165.8-79.8-16000109.1
106N29.6Very low28.9Very low145 Ų145152 Ų15278%0.77578%0.782SS**  trans-155.5109.7148.7-86.2-39000105.5
107Y25.7Very low29Very low211 Ų211152.5 Ų152.583%0.82778%0.78SS**  50.793.882.4-87.6-78.2000113.9
108Q29.5Very low29Very low193 Ų193153.9 Ų153.990%0.90279%0.789SS**  178137.6113.8-95.5168.1-29.800111.4
109S27.1Very low29.1Very low106 Ų106152.3 Ų152.374%0.74179%0.787SS**  trans-95.3169.4154.557.40000109
110P34.3Very low29.1Very low110 Ų110152 Ų15271%0.71479%0.791SS**  -149.1153.594.538.7-21.7000117.2
111E31.2Very low29.4Very low173 Ų173151.1 Ų151.181%0.80879%0.792SS**  trans45129.2132.7-56.9-179142.400124.4
112H27.5Very low29.4Very low159 Ų159148.6 Ų148.674%0.73679%0.791SS**  trans35.4120133.8-70.9-97000121.9
113I32.4Very low29.5Very low171 Ų171153.8 Ų153.888%0.87780%0.803SS**  trans-130.7132.3132.6-65-176.3000107.9
114E25.7Very low29.5Very low158 Ų158151.4 Ų151.474%0.73879%0.793SS**  trans-88.9164.5174.6-55.8176.9125.200111.2
115I31.1Very low29.3Very low153 Ų153149.1 Ų149.179%0.78579%0.787SS**  179135.1128.2-94.8157.9000112.6
116E31.6Very low29.4Very low175 Ų175147.8 Ų147.882%0.81878%0.78SS**  trans48.487.9156.1-66.6174.4178.300120.9
117T27.6Very low29.3Very low125 Ų125149 Ų14977%0.76778%0.781SS**  trans-14.2136.1132.652.60000117.9
118N31.4Very low29.3Very low174 Ų174148.7 Ų148.793%0.9378%0.784SS**  -146.9142.4126.7-107-55.2000109.8
119A28.9Very low29.3Very low91 Ų91145.2 Ų145.275%0.75278%0.779SS**  trans-120.7149.9-167.300000112.7
120V32.7Very low29.3Very low132 Ų132147 Ų14780%0.878%0.78SS**  trans-165.8139.2140.1139.60000109.1
121N32.6Very low28.9Very low159 Ų159151.6 Ų151.685%0.8578%0.784SS**  trans51.979.4169.9-72.1-12.2000119
122V28Very low28.8Very low123 Ų123148.4 Ų148.475%0.74578%0.781SS**  trans-72.5129155.9170.80000110.8
123K32.1Very low28.7Very low208 Ų208149.9 Ų149.990%0.90479%0.788SS**  trans-151.163.6138.1-125.3178.3-174.9-176.90114.5
124S25.9Very low28.5Very low84 Ų84149 Ų14959%0.58778%0.783SS**  trans-50.2167.4146.8-25.20000111.3
125I26Very low28.5Very low139 Ų139148.7 Ų148.771%0.71379%0.786SS**  cis-162156.16-139.4161.9000110.4
126N25.9Very low28.4Very low115 Ų115148.6 Ų148.662%0.61579%0.786SS**  trans46.4153.1152.6-60.4-10.1000126
127Q27.1Very low28.1Very low170 Ų170146.9 Ų146.979%0.79478%0.782SS**  trans83.9127133.1-85.9150.6-2700121.7
128F27.6Very low28.2Very low204 Ų204149.3 Ų149.390%0.89578%0.782SS**  trans-57152.3157.3-71.5-106.9000111.7
129P29.2Very low28Very low121 Ų121147.9 Ų147.979%0.78677%0.77SS**  trans-111.8142.8144.735.1-27.5000112.1
130D27.1Very low28Very low142 Ų142149.3 Ų149.376%0.75977%0.769SS**  trans-75173.4164.7-102.2-57.9000112
131Y25.3Very low27.9Very low207 Ų207149.9 Ų149.981%0.81276%0.763SS**  trans-9.7126.6159.6-71.4-98.9000118
132S29.1Very low27.7Very low106 Ų106149 Ų14974%0.74176%0.758SS**  trans-159.2130.6137.438.20000112.9
133H25.9Very low27.7Very low190 Ų190147.4 Ų147.488%0.8876%0.758SS**  trans-76.8131.8152.2-83-95.4000107.8
134I28.5Very low27.7Very low152 Ų152141.6 Ų141.678%0.77975%0.749SS**  trans-155.4124.6158.2-101.6141.6000108.5
135L25.4Very low27.8Very low153 Ų153143.3 Ų143.380%0.80176%0.756SS**  trans-83146.7155.1-76.774.7000107.1
136I27.9Very low27.9Very low151 Ų151143 Ų14377%0.77476%0.756SS**  trans-178.5112.1133.4-96.2152.7000112.2
137N26.7Very low28Very low139 Ų139144.8 Ų144.874%0.74377%0.765SS**  trans31.4150.2136.5-66.9-39.8000124.8
138K28.1Very low28.1Very low176 Ų176140.2 Ų140.277%0.76576%0.757SS**  trans76.1147.1151.7-77.5167.1172-168.80117.3
139H27.5Very low28.1Very low143 Ų143135.2 Ų135.266%0.66275%0.747SS**  cis-127.4166.9-5.2-100-70.8000107.9
140T30.6Very low28.1Very low121 Ų121136.1 Ų136.174%0.74275%0.745SS**  -161.6156.659.247.50000113.5
141H28.8Very low28.2Very low144 Ų144136.5 Ų136.567%0.66775%0.747SS**  trans16136.4140.4-65.7-80.5000120.2
142D28.3Very low28.2Very low140 Ų140132.3 Ų132.375%0.74975%0.747SS**  cis-158.8171.712.1-109.9-30.4000114.3
143A29.4Very low28.4Very low90 Ų90135.1 Ų135.174%0.74475%0.754SS**  trans67.5101.6158.500000121.1
144A30.8Very low28.3Very low86 Ų86130.3 Ų130.371%0.71174%0.741SS**  trans45.5122.4136.700000120.6
145T27.9Very low28.2Very low121 Ų121130 Ų13074%0.74274%0.74SS**  cis58.2134.743.781.90000115.1
146N29.2Very low28.5Very low133 Ų133132.4 Ų132.471%0.71174%0.744SS**  cis-174.9176.2-18.9-1142.2000107.3
147N27.7Very low28.5Very low151 Ų151130.4 Ų130.481%0.80774%0.739SS**  trans71.2155.5156.8-61.8-13.1000118
148A28.7Very low28.6Very low75 Ų75130.2 Ų130.262%0.6274%0.738SS**  cis-169.1168.8-26.900000109.7
149S27.7Very low28.6Very low99 Ų99130.6 Ų130.669%0.69274%0.742SS**  trans45.4109.9141.364.30000120.1
150N29Very low28.7Very low139 Ų139130.3 Ų130.374%0.74374%0.744SS**  163129.2118.4-80.61.2000106.8
151D30.7Very low28.8Very low150 Ų150132.8 Ų132.880%0.80275%0.748SS**  cis-156.9174.833.3-92.7-49.1000110.6
152C25.5Very low28.7Very low120 Ų120133.8 Ų133.881%0.81176%0.758SS**  trans-81.9144.8172.9-55.60000111.5
153D31.7Very low28.7Very low164 Ų164132.5 Ų132.588%0.87776%0.76SS**  -150.7159129.3-141-22.5000112
154C24.2Very low28.6Very low90 Ų90137 Ų13761%0.60877%0.765SS**  trans-111.9163.9-164.2-61.20000113.7
155N27.1Very low28.6Very low144 Ų144140.8 Ų140.877%0.7777%0.772SS**  trans62.896.1154.4-53.4-35.5000118.5
156K31.4Very low28.6Very low205 Ų205143.4 Ų143.489%0.89177%0.773SS**  -150.5121.5126.2-100.8133.4-173.5175.70109.3
157V28.2Very low28.5Very low109 Ų109142.6 Ų142.666%0.66178%0.778SS**  95.4104.251.7163.10000110.6
158D27.9Very low28.6Very low135 Ų135138.5 Ų138.572%0.72277%0.771SS**  trans73.5138.5139.4-59.8-3.5000123.2
159E28.2Very low28.6Very low183 Ų183143.3 Ų143.386%0.85578%0.778SS**  trans66.5160.5160.2-63.5-178.9128.600115.8
160I30.5Very low28.8Very low138 Ų138147.5 Ų147.571%0.70878%0.784SS**  cis-140.8129.331.2-79.7175.2000112.8
161Q32.5Very low28.8Very low173 Ų173148.2 Ų148.281%0.80879%0.788SS**  trans55.9132.5147-64.1169.24.500123.6
162N25.3Very low28.9Very low164 Ų164146 Ų14688%0.87779%0.791SS**  trans-59.7139.5149.8-63.8-74.2000111.8
163S28.8Very low29.1Very low113 Ų113143.9 Ų143.979%0.7979%0.789SS**  trans-156.7131.8138.955.80000115
164Q26.9Very low29.1Very low184 Ų184144.5 Ų144.586%0.8679%0.791SS**  trans-4129.2156.2-54.7174.8-1.200119.8
165I32Very low29.2Very low167 Ų167147.2 Ų147.286%0.85680%0.8SS**  -176.3151.1127.1-97.4150.7000107.6
166K27Very low29.4Very low176 Ų176148.3 Ų148.377%0.76581%0.805SS**  cis165.1129-28.8-173179.3-174.3-178.90104.7
167S27.1Very low29.3Very low115 Ų115143.9 Ų143.980%0.80480%0.795SS**  trans63.8141.1162.750.90000122
168G30.4Very low29.5Very low65 Ų65144.2 Ų144.267%0.6780%0.798SS**  trans13587.3173.100000111.5
169F29.4Very low29.7Very low177 Ų177145.2 Ų145.278%0.77680%0.803SS**  58.4136.481.3-75.4-78.7000114.2
170F31.9Very low29.7Very low186 Ų186139.5 Ų139.582%0.81679%0.793SS**  cis-145.3155.919.2-130.9-71.9000113.3
171D28.2Very low29.8Very low155 Ų155143.4 Ų143.483%0.82980%0.8SS**  trans-90147.6171.2-83.3-63.9000114
172A33.2Very low29.8Very low103 Ų103142.4 Ų142.485%0.85180%0.796SS**  trans179.6137.6137.200000111
173G28.3Very low30.1Very low75 Ų75140.7 Ų140.777%0.77378%0.782SS**  cis117.372.7-7.600000114.7
174L32Very low30.3Very low177 Ų177143.8 Ų143.893%0.92778%0.784SS**  trans-134.1128.6162.4-89.2178.8000111.6
175N26.5Very low30.5Very low148 Ų148138.2 Ų138.279%0.79178%0.776SS**  trans-135.1126.6179.1-158-0.2000106.2
176L31.6Very low30.4Very low166 Ų166137.7 Ų137.787%0.86978%0.775SS**  trans-136.9126.8173.4-95.9174.7000110.4
177T29.8Very low30.4Very low112 Ų112136 Ų13669%0.68777%0.774SS**  trans-98.7159.4-177.752.60000110.7
178T31.5Very low30.8Very low116 Ų116140 Ų14071%0.71278%0.777SS**  177.2142.3118.926.50000113.3
179N32.9Very low30.9Very low157 Ų157141.7 Ų141.784%0.8478%0.778SS**  trans59.8144.7149.8-50.7-18.1000120.5
180G28.1Very low30.8Very low62 Ų62141.2 Ų141.264%0.63978%0.782SS**  cis149.6104.7-12.900000115.7
181Y33.4Very low30.7Very low220 Ų220136.7 Ų136.786%0.86378%0.779SS**  trans-146.9122.9155.3-84.7-85.7000105.5
182Q32.3Very low30.8Very low153 Ų153138.1 Ų138.172%0.71578%0.781SS**  65.7131.458.6-62.2-159.6-1.200112.8
183Q31.8Very low30.8Very low128 Ų128138.2 Ų138.260%0.59878%0.775SS**  cis-163.9159.24.1-125.7-174.874.500112
184Q32.4Very low30.8Very low178 Ų178143 Ų14383%0.83278%0.783SS**  trans64.1151.9162.5-55.7167.73300117.6
185G31.7Very low30.8Very low67 Ų67138.5 Ų138.569%0.69177%0.767SS**  cis-173.8123.6-12.500000108.6
186L28.9Very low31Very low156 Ų156141.5 Ų141.582%0.81777%0.768SS**  72.7117.484.8-85.3168.4000117.6
187N28Very low31Very low141 Ų141141.2 Ų141.275%0.75477%0.767SS**  trans72.3117.8150.6-59.3-23.5000122.4
188K34.5Very low30.9Very low199 Ų199143.8 Ų143.887%0.86577%0.771SS**  -167.7149.6105.9-111.4178.8178.2179.70114.9
189S31.7Very low30.9Very low100 Ų100145.8 Ų145.870%0.69977%0.772SS**  trans33.9130.4157.1-610000121.3
190I27.5Very low30.9Very low166 Ų166145 Ų14585%0.85177%0.768SS**  cis75.2133.918.7-47.5179.2000115.7
191A29.7Very low31.1Very low92 Ų92149.2 Ų149.276%0.7678%0.776SS**  trans70.9141.7-170.500000113
192E31.8Very low31.1Very low185 Ų185141.9 Ų141.986%0.86477%0.767SS**  cis-134.9162.417.9-71.9171.7-178.700110.1
193S32.8Very low31.3Very low105 Ų105142.2 Ų142.273%0.73477%0.774SS**  cis-153153.70.9-118.60000110.5
194N27Very low31.5Very low174 Ų174143.9 Ų143.993%0.9379%0.787SS**  trans-145.8112175.8-129.3-11.3000110.5
195S33.5Very low31.7Very low84 Ų84140.3 Ų140.359%0.58778%0.779SS**  trans-166.5125.5176.656.60000106.2
196Y30.6Very low31.6Very low211 Ų211143.7 Ų143.783%0.82778%0.782SS**  cis-15616841.9-81.3-92000108.1
197L31.7Very low31.9Very low159 Ų159144 Ų14483%0.83278%0.777SS**  cis-133.1164.35-94.6111.4000110.4
198Q28.1Very low32Very low166 Ų166144.6 Ų144.678%0.77678%0.78SS**  trans-107.5179161.7-74.3-171.7-18.700111.1
199Q30.6Very low32Very low158 Ų158139.8 Ų139.874%0.73878%0.777SS**  trans8499.9158.1-53.1-178.56.500116.8
200N33.4Very low31.9Very low140 Ų140144.1 Ų144.175%0.74978%0.783SS**  -157130.999.3-89.7-50.6000111.8
201N32.5Very low31.9Very low152 Ų152140 Ų14081%0.81377%0.768SS**  trans14.9136.6135.6-34-35.3000118.1
202G32.9Very low32Very low66 Ų66143.7 Ų143.768%0.6877%0.77SS**  cis172.2-172.41.600000112.8
203D36.2Very low31.8Very low160 Ų160139.2 Ų139.286%0.85676%0.759SS**  trans60.898.8156.5-52.6-15.6000121.4
204D35Very low31.8Very low162 Ų162142.4 Ų142.487%0.86676%0.762SS**  68.7161.7125.8-95.58.6000122.4
205P36.8Very low31.8Very low104 Ų104139.4 Ų139.468%0.67575%0.75SS**  trans-136.4-173.8-143.239.3-18.6000116.8
206N31Very low31.4Very low138 Ų138142.9 Ų142.974%0.73876%0.762SS**  trans91151.1142.5-138.8-18.1000118.6
207K33.9Very low31.3Very low163 Ų163140 Ų14071%0.70977%0.766SS**  trans78118.1157.4-71.3172.7-176.1171.80122.7
208N30Very low31Very low153 Ų153137.1 Ų137.182%0.81877%0.765SS**  trans100.2152.6130.1-64.2-8.4000121.3
209A34.6Very low30.9Very low98 Ų98135 Ų13581%0.8177%0.769SS**  trans66.3109.1179.300000115.3
210K29.9Very low30.7Very low190 Ų190134.2 Ų134.283%0.82677%0.769SS**  cis92.9133.722.8-159.6-150.1172.7-163.40113.7
211C27.7Very low30.6Very low81 Ų81137.8 Ų137.855%0.54778%0.778SS.*  trans73.8140.4178.6-56.20000113.4
212E30.9Very low30.3Very low169 Ų169139.4 Ų139.479%0.7977%0.774SS**  cis-154.4-162.7-5.8-129.2138-133.600110.9
213S29.5Very low30.5Very low90 Ų90141.6 Ų141.663%0.62978%0.776SS**  trans-35.8160.117834.20000118.7
214E31.6Very low30.1Very low172 Ų172141 Ų14180%0.80477%0.772SS**  cis-160.417514.1-131.4146.3-121.700115.1
215T27.5Very low29.8Very low112 Ų112139.2 Ų139.269%0.68777%0.771SS**  trans20.2122.9158.938.80000124
216L25.3Very low29.5Very low157 Ų157140.3 Ų140.382%0.82278%0.775SS**  35.1115.1128.8-62.1171.2000120.6
217T27.7Very low29.6Very low151 Ų151138.8 Ų138.893%0.92677%0.773SS**  -171.2157.9118.316.50000111.6
218A26.8Very low29.2Very low98 Ų98139.4 Ų139.481%0.8178%0.778SS**  trans-98141.1169.200000110.5
219S26Very low29.3Very low122 Ų122136.8 Ų136.885%0.85377%0.769SS**  trans-161.3155157.6-161.50000112.5
220L25.6Very low29.1Very low140 Ų140137.2 Ų137.273%0.73377%0.766SS**  trans-76.5147.3172.4-70.982000110.5Y222L220-Y222 HydrophobicContact CB-CD2 4.42Å; L220-Y222 HydrophobicContact CD2-CE2 4.47Å; L220-Y222 PolarHBondContact O-N 3.26Å
221K30.2Very low29.1Very low215 Ų215137.1 Ų137.194%0.93577%0.769SS**  trans-88.891.9166.2-96.7-176.2173.8176.90111.7
222Y27.5Very low29.1Very low187 Ų187141 Ų14173%0.73378%0.783SS**  trans-85.4152.3149.3-75.1-88.8000110L220L220-Y222 HydrophobicContact CB-CD2 4.42Å; L220-Y222 HydrophobicContact CD2-CE2 4.47Å; L220-Y222 PolarHBondContact O-N 3.26Å
223P36.3Very low29.2Very low111 Ų111137.6 Ų137.672%0.72178%0.775SS**  -88125.1128.133.5-25.9000107.8
224L28.2Very low29.3Very low148 Ų148139.8 Ų139.878%0.77578%0.779SS**  54.2121.865.7-56.3173.7000110.6
225C29.3Very low29.2Very low125 Ų125139.1 Ų139.185%0.84578%0.776SS**  cis-130.1178.335.9-69.60000116.6
226V30.9Very low29.3Very low127 Ų127140 Ų14077%0.7777%0.772SS**  trans-146.8166.4-166.81620000105.4
227P31.8Very low29.5Very low106 Ų106140.7 Ų140.769%0.68877%0.769SS**  cis-130-177-3.829.2-6.3000116.2
228H26.7Very low29.6Very low176 Ų176139 Ų13982%0.81575%0.754SS**  120.8135.9122.1-136.5-105.6000117.9
229P31.8Very low29.7Very low98 Ų98139.3 Ų139.364%0.63675%0.75SS**  trans-115-177.8-167.643.8-34.2000114.7
230S29.7Very low29.7Very low106 Ų106143.6 Ų143.674%0.74175%0.753SS**  trans-149.2135.5160.7-51.90000111.6
231E30.5Very low29.9Very low188 Ų188146 Ų14688%0.87976%0.758SS**  trans60.982.7143.5-68.2159.5-152.400121.1
232L27.3Very low29.8Very low163 Ų163145.7 Ų145.785%0.85375%0.751SS**  -11.5169.7111-76.6174.5000118.4
233P33.1Very low29.9Very low97 Ų97146.4 Ų146.463%0.6376%0.758SS**  cis-143.5-151.4-8.629.2-1.9000114.4
234I30.7Very low29.6Very low137 Ų137145.3 Ų145.370%0.70375%0.75SS**  trans81.3105154.4-69.4162.4000115.6
235E29.1Very low29.5Very low157 Ų157146.7 Ų146.773%0.73475%0.752SS**  74.1151.779.8-74.9-174-16100114.1
236H30.3Very low29.5Very low132 Ų132150 Ų15061%0.61176%0.758SS**  cis-148.4140.84.2-133.3-165.2000107.2
237F30.1Very low29.3Very low171 Ų171150 Ų15075%0.7576%0.758SS**  61.6120.573.7-132.1-73.4000114.8
238N30.3Very low29.3Very low116 Ų116152.9 Ų152.962%0.6277%0.766SS**  162.6128.8122.4-92.3-69.6000114.8
239S27.8Very low29.4Very low103 Ų103151.6 Ų151.672%0.7277%0.765SS**  175.3108.1110.6-77.50000112.4
240F26.4Very low29.5Very low212 Ų212152.4 Ų152.493%0.9377%0.77SS**  17597118.2-112.7-83.9000111.6
241K29.2Very low29.3Very low192 Ų192153.1 Ų153.184%0.83577%0.77SS**  trans-160.6115.5158.7-167180-177.5-176.40112.7
242R28.7Very low29.2Very low208 Ų208151.6 Ų151.679%0.78576%0.763SS**  trans-178.4156.6149.6-102.9170.5-176.8-170.60.6106.6
243F30Very low29.4Very low201 Ų201149.1 Ų149.188%0.88276%0.76SS**  cis-110.9169.820.8-90.3-101.7000115.4
244T29.7Very low29Very low88 Ų88151.8 Ų151.854%0.5477%0.769SS.*  trans-122.9145.4176.844.60000110
245E26.7Very low29.1Very low178 Ų178154.6 Ų154.683%0.83278%0.779SS**  trans29120.1142-61.7165.7157.600119.5
246M29.7Very low29Very low194 Ų194152.1 Ų152.196%0.95678%0.779SS**  trans-134.1126140.9-85.1-167165.100110
247T26.2Very low28.9Very low126 Ų126153.2 Ų153.277%0.77379%0.789SS**  trans-83.1139.8178.7-46.30000111
248I31.8Very low28.7Very low168 Ų168150.7 Ų150.786%0.86279%0.787SS**  trans-166.7159149.9-101.9148.3000109.6
249N27.7Very low28.6Very low148 Ų148148.9 Ų148.979%0.79179%0.789SS**  trans-80.2160.9-162.1-68-47.7000115.7
250P34.5Very low28.8Very low115 Ų115152.4 Ų152.475%0.74779%0.793SS**  trans-98146-177.637-33.7000114.7
251T26.5Very low29Very low122 Ų122150 Ų15075%0.74879%0.789SS**  trans-160.7129.7156.515.10000113.8
252E28Very low29Very low155 Ų155146.7 Ų146.772%0.72479%0.787SS**  trans65.8163.1134.4-71.4175.4-17300124.7
253S30.3Very low29Very low112 Ų112142.6 Ų142.678%0.78379%0.786SS**  trans76.581.216069.80000121.3
254N26Very low28.7Very low153 Ų153136.7 Ų136.782%0.81877%0.769SS**  trans-18.3135.2139.8-56.7-32.9000116.6
255Q31.4Very low28.7Very low195 Ų195143.2 Ų143.291%0.91179%0.785SS**  -153.5135.3126.5-118.5145105.500112.2
256S26.9Very low28.8Very low106 Ų106145.7 Ų145.774%0.74179%0.787SS**  trans-93.2162.6173.850.80000110.9
257L28.4Very low28.7Very low155 Ų155144.5 Ų144.581%0.81278%0.784SS**  trans172.292.7147.8-91.4157.7000107.5
258T27.2Very low29Very low117 Ų117144.3 Ų144.372%0.71879%0.785SS**  86.8109.39152.80000117
259A28.3Very low28.9Very low79 Ų79139.7 Ų139.765%0.65378%0.778SS**  95.8158.8120.500000122
260H31.3Very low29Very low177 Ų177143.7 Ų143.782%0.81978%0.784SS**  trans80.889166.7-55.5-66.6000119.8
261L29.7Very low29Very low162 Ų162143.5 Ų143.585%0.84878%0.783SS**  trans-69.1155.6143.7-96.376.4000110.9
262P30.6Very low29.1Very low121 Ų121145.3 Ų145.379%0.78679%0.786SS**  trans-134.7101.4139.932.8-17.3000114
263T27Very low29.1Very low123 Ų123145.9 Ų145.976%0.75579%0.789SS**  26.7131.7125.3-48.10000121.5
264S25.3Very low29.1Very low77 Ų77150.1 Ų150.154%0.53880%0.796SS.*  trans74.9129.6150.9171.30000119.4
265Y29.9Very low29.1Very low224 Ų224148.8 Ų148.888%0.87879%0.793SS**  -161152.1104.2-87.9-59.5000114
266R27.7Very low29Very low231 Ų231150.2 Ų150.287%0.87279%0.79SS**  trans-71.9156.2-164.6-65168.7167.5173.5-5.7116.3
267L28.8Very low29Very low169 Ų169150 Ų15089%0.88579%0.785SS**  trans-78150.3156.2-81122.6000113.5
268P32.1Very low28.9Very low122 Ų122148.8 Ų148.879%0.79278%0.779SS**  -117.1167.8128.837.1-29.5000110.4
269G30.3Very low29Very low70 Ų70150.4 Ų150.472%0.72278%0.783SS**  cis168.1131.5-5.200000110
270Y28.6Very low29.1Very low232 Ų232153.9 Ų153.991%0.9179%0.79SS**  trans-76.2155.5-175.2-76.1-92.8000114.3
271P34.3Very low29Very low112 Ų112152 Ų15273%0.72779%0.786SS**  -137.6132.6110.725.7-7.6000113.2
272I29.8Very low29.1Very low159 Ų159148.5 Ų148.582%0.81577%0.772SS**  84.6133.477.8-67.7164.5000114.5
273H26.6Very low29.1Very low168 Ų168152.8 Ų152.878%0.77877%0.774SS**  trans-62.3157.6179.2-81-109.7000115.1
274Q31.5Very low29.1Very low201 Ų201151.7 Ų151.794%0.93977%0.767SS**  trans-146.3160.4138.8-114.4170.930.300112.4
275T26.1Very low29.4Very low124 Ų124155 Ų15576%0.76178%0.779SS**  trans-138.7123.9-172.852.50000111.9
276R28.4Very low29.3Very low225 Ų225149.8 Ų149.885%0.84977%0.766SS**  trans-171.7130.5149.7-101.1-164145.4113.4-5.4106.9
277T27.1Very low29.6Very low101 Ų101148.6 Ų148.662%0.6277%0.768SS**  58.6142.982.376.30000115.1
278D26Very low29.6Very low130 Ų130146.5 Ų146.570%0.69576%0.758SS**  trans83.4130.7157.8-47.3-49.4000119.2
279L29Very low29.5Very low151 Ų151148.5 Ų148.579%0.79176%0.761SS**  trans82.5120.6150.1-65.6159.9000121.8
280L31Very low29.6Very low153 Ų153150.6 Ų150.680%0.80176%0.764SS**  trans77.2110137.7-63.4169.1000120.7
281N28.3Very low29.8Very low138 Ų138146.8 Ų146.874%0.73876%0.76SS**  trans-63.2131.7154.1-171.423.9000110.7
282P32.6Very low30Very low87 Ų87146.2 Ų146.257%0.56576%0.756SS**  -137.5159.1122.840.1-29.8000111.6
283Y31.5Very low30.2Very low212 Ų212144.8 Ų144.883%0.83176%0.755SS**  cis-132.114125.1-86.1-95.1000114.1
284T26.4Very low30.4Very low99 Ų99141.5 Ų141.561%0.60775%0.751SS**  trans-93.3136.5158.5530000110.9
285N32.1Very low30.7Very low147 Ų147138.8 Ų138.879%0.78674%0.743SS**  trans-166.8104.3141.1-90.5-31.9000107.2
286N28.1Very low31.5Very low114 Ų114140.3 Ų140.361%0.6174%0.741SS**  60.395.875.9-69.9-23000113.8
287F32.3Very low32.3Very low207 Ų207134.4 Ų134.491%0.90873%0.73SS**  -166.893.4128.6-91.9-67.8000106.8
288N30.2Very low33.1Very low125 Ų125135.1 Ų135.167%0.66873%0.729SS**  64.411182.9-82.9-26.5000115.7
289L29.8Very low34Very low163 Ų163136.4 Ų136.485%0.85373%0.729SS**  trans66.2146.9155.7-84.955.7000117
290S32.6Very low35Very low114 Ų114134.1 Ų134.180%0.79772%0.718SS**  cis-145.3150.210.443.30000114.9
291N33.2Very low36Very low153 Ų153131.5 Ų131.582%0.81871%0.705SS**  trans-53.6175.5166.4-97.7-12.7000115.1
292P38.1Very low37.4Very low99 Ų99129.2 Ų129.264%0.64369%0.691SS**  cis-140.3179.9-25.237.2-19.1000113.9
293T33Very low38.6Very low129 Ų129127.2 Ų127.279%0.79168%0.679SS**  -179.3140.6113.328.90000112.9
294S32.1Very low39.8Very low100 Ų100120 Ų12070%0.69966%0.66SS**SBendtrans1.8109.8163.152.20000119.6
295N37.5Very low41.3Very low144 Ų144122.3 Ų122.377%0.7766%0.662SS**SBendtrans178.1-20.2137.4-94.5-28.2000112.8
296H42.6Very low42.6Very low156 Ų156119.5 Ų119.572%0.72265%0.646SS**Hα-helixtrans-80.6-10.7-172.9-89.5-83.8000116.8
297T45.5Very low43.7Very low100 Ų100121.9 Ų121.961%0.61365%0.648SS**Hα-helixtrans-66.7-58.5178.246.80000111.2F299 N300 D301T297-F299 PolarHBondContact O-N 3.31Å; T297-N300 CarbonylContact O-C 3.55Å; T297-N300 WeakPolarHBondContact O-CA 3.42Å; T297-N300 WeakPolarHBondContact O-CB 3.46Å; T297-N300 PolarHBondContact O-N 2.84Å; T297-D301 PolarHBondContact O-N 3.47Å; T297-D301 VanDerWaalsContact O-OD2 3.09Å
298L43.6Very low44.9Very low116 Ų116115.9 Ų115.961%0.60763%0.625SS**Hα-helixtrans-54.9-34-172.9-128.2167.2000113.6D301 I302L298-D301 PolarHBondContact N-OD2 3.25Å; L298-I302 HydrophobicContact CD2-CD1 3.67Å; L298-I302 HydrophobicContact CD2-CG1 4.2Å; L298-I302 WeakPolarHBondContact O-CB 3.47Å; L298-I302 WeakPolarHBondContact O-CD1 3.41Å; L298-I302 VanDerWaalsContact O-CG1 3.26Å; L298-I302 WeakPolarHBondContact O-CG1 3.38Å; L298-I302 PolarHBondContact O-N 3.08Å
299F45.1Very low45.5Very low157 Ų157113.2 Ų113.269%0.68961%0.611SS**Hα-helixtrans-75.7-34.7177-142.9-80.3000112.8T297 S303T297-F299 PolarHBondContact O-N 3.31Å; F299-S303 VanDerWaalsContact O-CB 3.3Å; F299-S303 WeakPolarHBondContact O-CB 3.4Å; F299-S303 PolarHBondContact O-N 3.27Å; F299-S303 PolarHBondContact O-OG 3.34Å
300N49.1Very low46.4Very low104 Ų104111.3 Ų111.356%0.55660%0.597SS**Hα-helixtrans-71.8-39.1172.2-72.5-10.4000111.2T297 S303 S304T297-N300 CarbonylContact O-C 3.55Å; T297-N300 WeakPolarHBondContact O-CA 3.42Å; T297-N300 WeakPolarHBondContact O-CB 3.46Å; T297-N300 PolarHBondContact O-N 2.84Å; N300-S303 PolarHBondContact O-N 3.36Å; N300-S304 PolarHBondContact O-N 2.74Å
301D51.5Low47.4Very low98 Ų98111.2 Ų111.252%0.52459%0.588SS.*Hα-helixtrans-63.3-46.6178-57.9-36.1000110.8T297 L298 S303 S304 F305T297-D301 PolarHBondContact O-N 3.47Å; T297-D301 VanDerWaalsContact O-OD2 3.09Å; L298-D301 PolarHBondContact N-OD2 3.25Å; D301-S303 VanDerWaalsContact C-N 3.32Å; D301-S303 PolarHBondContact O-N 3.1Å; D301-S304 PolarHBondContact O-N 3.3Å; D301-F305 WeakPolarHBondContact O-CB 3.4Å; D301-F305 PolarHBondContact O-N 3.43Å
302I59.7Low48.2Very low89 Ų89110 Ų11046%0.45658%0.577SS.*Hα-helixtrans-62.6-39.3172.6-71166.2000111.1L298 F305 I306L298-I302 HydrophobicContact CD2-CD1 3.67Å; L298-I302 HydrophobicContact CD2-CG1 4.2Å; L298-I302 WeakPolarHBondContact O-CB 3.47Å; L298-I302 WeakPolarHBondContact O-CD1 3.41Å; L298-I302 VanDerWaalsContact O-CG1 3.26Å; L298-I302 WeakPolarHBondContact O-CG1 3.38Å; L298-I302 PolarHBondContact O-N 3.08Å; I302-F305 PolarHBondContact O-N 2.96Å; I302-I306 HydrophobicContact CG2-CD1 3.8Å; I302-I306 HydrophobicContact CG2-CG1 4.5Å; I302-I306 VanDerWaalsContact O-CG1 3.28Å; I302-I306 WeakPolarHBondContact O-CG1 3.26Å; I302-I306 PolarHBondContact O-N 3.45Å
303S56.4Low48.5Very low45 Ų45109.3 Ų109.332%0.31557%0.568SS.*Hα-helixtrans-66.2-43.8178.4-620000112F299 N300 D301 I306 Y307F299-S303 VanDerWaalsContact O-CB 3.3Å; F299-S303 WeakPolarHBondContact O-CB 3.4Å; F299-S303 PolarHBondContact O-N 3.27Å; F299-S303 PolarHBondContact O-OG 3.34Å; N300-S303 PolarHBondContact O-N 3.36Å; D301-S303 VanDerWaalsContact C-N 3.32Å; D301-S303 PolarHBondContact O-N 3.1Å; S303-I306 PolarHBondContact O-N 3.48Å; S303-Y307 WeakPolarHBondContact O-CD2 3.45Å; S303-Y307 PolarHBondContact O-N 2.8Å
304S56.7Low49.1Very low62 Ų62106.5 Ų106.543%0.43455%0.553SS.*Hα-helixtrans-58.8-52.8172.4-162.40000109.9N300 D301 I306 Y307 D308N300-S304 PolarHBondContact O-N 2.74Å; D301-S304 PolarHBondContact O-N 3.3Å; S304-I306 PolarHBondContact O-N 3.49Å; S304-I306 VanDerWaalsContact O-N 3.11Å; S304-Y307 CarbonylContact O-C 3.55Å; S304-Y307 WeakPolarHBondContact O-CA 3.45Å; S304-Y307 PolarHBondContact O-N 2.8Å; S304-D308 VanDerWaalsContact C-OD2 3.24Å; S304-D308 WeakPolarHBondContact O-CB 3.48Å; S304-D308 VanDerWaalsContact O-CG 3.27Å; S304-D308 PolarHBondContact O-N 2.93Å; S304-D308 PolarHBondContact OG-OD2 2.91Å
305F58.1Low50.1Low147 Ų147104.6 Ų104.665%0.64554%0.54SS*.Hα-helixtrans-58.3-33.3-178.1-160.2-98.5000112.9D301 I302 N309D301-F305 WeakPolarHBondContact O-CB 3.4Å; D301-F305 PolarHBondContact O-N 3.43Å; I302-F305 PolarHBondContact O-N 2.96Å; F305-N309 WeakPolarHBondContact CD1-ND2 3.4Å; F305-N309 VanDerWaalsContact CE1-ND2 3.26Å; F305-N309 WeakPolarHBondContact CE1-ND2 3.41Å; F305-N309 VanDerWaalsContact O-CB 3.31Å; F305-N309 WeakPolarHBondContact O-CB 3.49Å; F305-N309 PolarHBondContact O-N 3.43Å; F305-N309 VanDerWaalsContact O-N 3.08Å; F305-N309 PolarHBondContact O-ND2 2.97Å
306I60.2Low50.8Low87 Ų87102.1 Ų102.145%0.44653%0.526SS..Hα-helixtrans-71-45172.4-69.7168000111.6I302 S303 S304 N309 Q310I302-I306 HydrophobicContact CG2-CD1 3.8Å; I302-I306 HydrophobicContact CG2-CG1 4.5Å; I302-I306 VanDerWaalsContact O-CG1 3.28Å; I302-I306 WeakPolarHBondContact O-CG1 3.26Å; I302-I306 PolarHBondContact O-N 3.45Å; S303-I306 PolarHBondContact O-N 3.48Å; S304-I306 PolarHBondContact O-N 3.49Å; S304-I306 VanDerWaalsContact O-N 3.11Å; I306-N309 PolarHBondContact O-N 3.38Å; I306-Q310 WeakPolarHBondContact O-CG 3.31Å; I306-Q310 PolarHBondContact O-N 3.43Å
307Y51.3Low51Low164 Ų16499.7 Ų99.764%0.64352%0.518SS*.Hα-helixtrans-63.6-45176.7-93.9-75.7000112.3S303 S304 N309 Q310 L311S303-Y307 WeakPolarHBondContact O-CD2 3.45Å; S303-Y307 PolarHBondContact O-N 2.8Å; S304-Y307 CarbonylContact O-C 3.55Å; S304-Y307 WeakPolarHBondContact O-CA 3.45Å; S304-Y307 PolarHBondContact O-N 2.8Å; Y307-N309 PolarHBondContact O-N 3.3Å; Y307-Q310 PolarHBondContact O-N 3.29Å; Y307-Q310 VanDerWaalsContact O-N 3.13Å; Y307-L311 PolarHBondContact O-N 2.95Å
308D57.1Low51.3Low82 Ų82101.9 Ų101.944%0.43952%0.522SS..Hα-helixtrans-61.3-43.3176.8-67.1-47.3000110.8S304 Q310 L311 H312S304-D308 VanDerWaalsContact C-OD2 3.24Å; S304-D308 WeakPolarHBondContact O-CB 3.48Å; S304-D308 VanDerWaalsContact O-CG 3.27Å; S304-D308 PolarHBondContact O-N 2.93Å; S304-D308 PolarHBondContact OG-OD2 2.91Å; D308-Q310 PolarHBondContact O-N 2.91Å; D308-L311 PolarHBondContact O-N 3.44Å; D308-H312 WeakPolarHBondContact O-CB 3.42Å; D308-H312 PolarHBondContact O-N 3.37Å
309N43.1Very low52.3Low69 Ų6999.7 Ų99.737%0.36951%0.513SS..Hα-helixtrans-67-33.6173.5-86.3-86.1000113F305 I306 Y307 N313F305-N309 WeakPolarHBondContact CD1-ND2 3.4Å; F305-N309 VanDerWaalsContact CE1-ND2 3.26Å; F305-N309 WeakPolarHBondContact CE1-ND2 3.41Å; F305-N309 VanDerWaalsContact O-CB 3.31Å; F305-N309 WeakPolarHBondContact O-CB 3.49Å; F305-N309 PolarHBondContact O-N 3.43Å; F305-N309 VanDerWaalsContact O-N 3.08Å; F305-N309 PolarHBondContact O-ND2 2.97Å; I306-N309 PolarHBondContact O-N 3.38Å; Y307-N309 PolarHBondContact O-N 3.3Å; N309-N313 VanDerWaalsContact O-CB 3.28Å; N309-N313 WeakPolarHBondContact O-CB 3.41Å; N309-N313 PolarHBondContact O-N 3.04Å; N309-N313 PolarHBondContact O-ND2 2.93Å
310Q48.4Very low53.1Low122 Ų12297.2 Ų97.257%0.5751%0.506SS*.Hα-helixtrans-70-38.6174-74.1-177.429.700112.1I306 Y307 D308 S314I306-Q310 WeakPolarHBondContact O-CG 3.31Å; I306-Q310 PolarHBondContact O-N 3.43Å; Y307-Q310 PolarHBondContact O-N 3.29Å; Y307-Q310 VanDerWaalsContact O-N 3.13Å; D308-Q310 PolarHBondContact O-N 2.91Å; Q310-S314 VanDerWaalsContact O-CB 3.32Å; Q310-S314 WeakPolarHBondContact O-CB 3.39Å; Q310-S314 PolarHBondContact O-N 3.01Å; Q310-S314 PolarHBondContact O-OG 3.31Å
311L52.3Low53.8Low113 Ų11395.2 Ų95.259%0.59250%0.5SS*.Hα-helixtrans-62.2-46.7170.9-85158.9000111.5Y307 D308 N313 S314 S315Y307-L311 PolarHBondContact O-N 2.95Å; D308-L311 PolarHBondContact O-N 3.44Å; L311-N313 PolarHBondContact O-N 3.44Å; L311-S314 WeakPolarHBondContact CA-OG 3.43Å; L311-S314 PolarHBondContact O-N 3.38Å; L311-S314 PolarHBondContact O-OG 3.18Å; L311-S315 WeakPolarHBondContact O-CB 3.42Å; L311-S315 PolarHBondContact O-N 3.42Å
312H50Low54.6Low128 Ų12895.7 Ų95.759%0.59350%0.496SS*.Hα-helixtrans-68.8-37.8-178.9-133.8-37.9000112.7D308 L316D308-H312 WeakPolarHBondContact O-CB 3.42Å; D308-H312 PolarHBondContact O-N 3.37Å; H312-L316 WeakPolarHBondContact O-CB 3.31Å; H312-L316 WeakPolarHBondContact O-CG 3.28Å; H312-L316 PolarHBondContact O-N 2.92Å
313N44.8Very low55.1Low84 Ų8497 Ų9745%0.44950%0.5SS..Hα-helixtrans-70.9-38.9174.9-82.3-75.8000112.7N309 L311 L316 N317N309-N313 VanDerWaalsContact O-CB 3.28Å; N309-N313 WeakPolarHBondContact O-CB 3.41Å; N309-N313 PolarHBondContact O-N 3.04Å; N309-N313 PolarHBondContact O-ND2 2.93Å; L311-N313 PolarHBondContact O-N 3.44Å; N313-L316 PolarHBondContact O-N 3.3Å; N313-N317 WeakPolarHBondContact O-CB 3.26Å; N313-N317 PolarHBondContact O-N 3.45Å; N313-N317 PolarHBondContact O-ND2 3.43Å
314S46.9Very low55.9Low69 Ų69100.4 Ų100.448%0.48351%0.511SS..Hα-helixtrans-66.1-39.7175.953.90000111.5Q310 L311 H318Q310-S314 VanDerWaalsContact O-CB 3.32Å; Q310-S314 WeakPolarHBondContact O-CB 3.39Å; Q310-S314 PolarHBondContact O-N 3.01Å; Q310-S314 PolarHBondContact O-OG 3.31Å; L311-S314 WeakPolarHBondContact CA-OG 3.43Å; L311-S314 PolarHBondContact O-N 3.38Å; L311-S314 PolarHBondContact O-OG 3.18Å; S314-H318 PolarHBondContact O-N 3.19Å; S314-H318 VanDerWaalsContact O-N 3.1Å
315S52.5Low56.8Low61 Ų61101.7 Ų101.743%0.42751%0.513SS..Hα-helixtrans-55.2-57.4169.1174.50000112.2L311 N317 H318 T319L311-S315 WeakPolarHBondContact O-CB 3.42Å; L311-S315 PolarHBondContact O-N 3.42Å; S315-N317 VanDerWaalsContact C-N 3.34Å; S315-N317 PolarHBondContact O-N 3.07Å; S315-H318 WeakPolarHBondContact O-CA 3.36Å; S315-H318 WeakPolarHBondContact O-CB 3.4Å; S315-H318 PolarHBondContact O-N 3.43Å; S315-T319 PolarHBondContact O-N 3.37Å; S315-T319 PolarHBondContact O-OG1 3.43Å
316L51.1Low57.8Low91 Ų9198.4 Ų98.448%0.47650%0.502SS..Hα-helixtrans-58.7-40.6-178.9-80.6163.7000113.3H312 N313 H318 T319 L320H312-L316 WeakPolarHBondContact O-CB 3.31Å; H312-L316 WeakPolarHBondContact O-CG 3.28Å; H312-L316 PolarHBondContact O-N 2.92Å; N313-L316 PolarHBondContact O-N 3.3Å; L316-H318 VanDerWaalsContact C-N 3.31Å; L316-H318 PolarHBondContact O-N 2.93Å; L316-T319 PolarHBondContact O-N 3.08Å; L316-L320 WeakPolarHBondContact O-CB 3.28Å; L316-L320 WeakPolarHBondContact O-CG 3.43Å; L316-L320 PolarHBondContact O-N 3.49Å
317N47.4Very low58.7Low105 Ų105101.4 Ų101.456%0.56151%0.508SS*.Hα-helixtrans-63.8-36.4175-79.8-67.1000112.2N313 S315 S321N313-N317 WeakPolarHBondContact O-CB 3.26Å; N313-N317 PolarHBondContact O-N 3.45Å; N313-N317 PolarHBondContact O-ND2 3.43Å; S315-N317 VanDerWaalsContact C-N 3.34Å; S315-N317 PolarHBondContact O-N 3.07Å; N317-S321 VanDerWaalsContact O-CB 3.31Å; N317-S321 WeakPolarHBondContact O-CB 3.44Å; N317-S321 PolarHBondContact O-N 3.47Å
318H52.8Low59.9Low147 Ų14796.8 Ų96.868%0.68149%0.494SS*.Hα-helixtrans-70.7-40.7176.7-144-82.9000111.9S314 S315 L316 S321 Y322S314-H318 PolarHBondContact O-N 3.19Å; S314-H318 VanDerWaalsContact O-N 3.1Å; S315-H318 WeakPolarHBondContact O-CA 3.36Å; S315-H318 WeakPolarHBondContact O-CB 3.4Å; S315-H318 PolarHBondContact O-N 3.43Å; L316-H318 VanDerWaalsContact C-N 3.31Å; L316-H318 PolarHBondContact O-N 2.93Å; H318-S321 PolarHBondContact O-N 2.98Å; H318-Y322 WeakPolarHBondContact O-CB 3.32Å; H318-Y322 PolarHBondContact O-N 3.11Å
319T63.6Low60.9Low70 Ų7098 Ų9843%0.42950%0.498SS..Hα-helixtrans-65.3-43.8175.5-51.30000112.2S315 L316 Y322 Q323S315-T319 PolarHBondContact O-N 3.37Å; S315-T319 PolarHBondContact O-OG1 3.43Å; L316-T319 PolarHBondContact O-N 3.08Å; T319-Y322 PolarHBondContact O-N 3.37Å; T319-Q323 WeakPolarHBondContact O-CG 3.49Å; T319-Q323 PolarHBondContact O-N 2.94Å
320L61.9Low62.7Low104 Ų104100 Ų10055%0.54550%0.504SS..Hα-helixtrans-62.8-42.1175.1-78167.3000111.8L316 Y322 Q323 H324L316-L320 WeakPolarHBondContact O-CB 3.28Å; L316-L320 WeakPolarHBondContact O-CG 3.43Å; L316-L320 PolarHBondContact O-N 3.49Å; L320-Y322 VanDerWaalsContact C-N 3.34Å; L320-Y322 PolarHBondContact O-N 2.95Å; L320-Q323 PolarHBondContact O-N 3.13Å; L320-H324 VanDerWaalsContact O-CB 3.31Å; L320-H324 WeakPolarHBondContact O-CB 3.35Å; L320-H324 PolarHBondContact O-N 2.8Å
321S64.1Low64.1Low62 Ų6298.4 Ų98.443%0.43450%0.497SS..Hα-helixtrans-60.2-43.8173.4-1750000111.5N317 H318 H324 N325N317-S321 VanDerWaalsContact O-CB 3.31Å; N317-S321 WeakPolarHBondContact O-CB 3.44Å; N317-S321 PolarHBondContact O-N 3.47Å; H318-S321 PolarHBondContact O-N 2.98Å; S321-H324 PolarHBondContact O-N 2.92Å; S321-N325 PolarHBondContact O-N 3.46Å; S321-N325 PolarHBondContact O-ND2 3.49Å
322Y68.5Low65.4Low108 Ų10897.8 Ų97.842%0.42449%0.493SS..Hα-helixtrans-65.7-45.4178.6-174.4-106.1000112.6F90 H318 T319 L320 H324 N325 L326F90-Y322 WeakPolarHBondContact CE2-OH 3.44Å; F90-Y322 AromaticContact CZ-CE1 3.83Å; F90-Y322 HydrophobicContact CZ-CE1 3.83Å; F90-Y322 HydrophobicContact CZ-CE2 4.49Å; F90-Y322 AromaticContact CZ-CZ 3.62Å; F90-Y322 WeakPolarHBondContact CZ-OH 3.44Å; H318-Y322 WeakPolarHBondContact O-CB 3.32Å; H318-Y322 PolarHBondContact O-N 3.11Å; T319-Y322 PolarHBondContact O-N 3.37Å; L320-Y322 VanDerWaalsContact C-N 3.34Å; L320-Y322 PolarHBondContact O-N 2.95Å; Y322-H324 VanDerWaalsContact C-N 3.35Å; Y322-H324 PolarHBondContact O-N 3Å; Y322-N325 PolarHBondContact O-N 2.85Å; Y322-L326 HydrophobicContact CD1-CD1 3.87Å; Y322-L326 HydrophobicContact CE1-CD1 3.36Å; Y322-L326 HydrophobicContact CE1-CG 4.17Å; Y322-L326 PolarHBondContact O-N 3.45Å
323Q69.8Low66.7Low118 Ų11897 Ų9755%0.55149%0.49SS*.Hα-helixtrans-61.1-41.1174.8-74.9-176.8-20.700112.4T319 L320 L326 Y327T319-Q323 WeakPolarHBondContact O-CG 3.49Å; T319-Q323 PolarHBondContact O-N 2.94Å; L320-Q323 PolarHBondContact O-N 3.13Å; Q323-L326 PolarHBondContact O-N 3.5Å; Q323-Y327 PolarHBondContact O-N 3.02Å
324H73.6Confident68.2Low115 Ų11598.4 Ų98.453%0.53249%0.494SS..Hα-helixtrans-65.3-39.2176.5-178.5-98.8000112.4L320 S321 Y322 Y327 L328L320-H324 VanDerWaalsContact O-CB 3.31Å; L320-H324 WeakPolarHBondContact O-CB 3.35Å; L320-H324 PolarHBondContact O-N 2.8Å; S321-H324 PolarHBondContact O-N 2.92Å; Y322-H324 VanDerWaalsContact C-N 3.35Å; Y322-H324 PolarHBondContact O-N 3Å; H324-Y327 PolarHBondContact O-N 2.99Å; H324-L328 WeakPolarHBondContact O-CG 3.3Å; H324-L328 PolarHBondContact O-N 3.31Å
325N75.3Confident69.5Low89 Ų89100.2 Ų100.248%0.47650%0.495SS..Hα-helixtrans-67.3-39.9174.3-78.3-69.8000112.3S321 Y322 L328 Q329S321-N325 PolarHBondContact O-N 3.46Å; S321-N325 PolarHBondContact O-ND2 3.49Å; Y322-N325 PolarHBondContact O-N 2.85Å; N325-L328 PolarHBondContact O-N 3.1Å; N325-Q329 WeakPolarHBondContact O-CB 3.45Å; N325-Q329 PolarHBondContact O-N 2.77Å
326L79.8Confident70.6Confident79 Ų79101.2 Ų101.241%0.41450%0.496SS..Hα-helixtrans-60.5-43.7172.5-88.1170000112.3Y322 Q323 Q329 H330Y322-L326 HydrophobicContact CD1-CD1 3.87Å; Y322-L326 HydrophobicContact CE1-CD1 3.36Å; Y322-L326 HydrophobicContact CE1-CG 4.17Å; Y322-L326 PolarHBondContact O-N 3.45Å; Q323-L326 PolarHBondContact O-N 3.5Å; L326-Q329 PolarHBondContact O-N 3.39Å; L326-H330 PolarHBondContact O-N 2.93Å
327Y77.6Confident71.6Confident149 Ų14999 Ų9958%0.58449%0.49SS*.Hα-helixtrans-60.4-47.4175.9177.7-91.9000111.6Q323 H324 Q329 H330 Q331Q323-Y327 PolarHBondContact O-N 3.02Å; H324-Y327 PolarHBondContact O-N 2.99Å; Y327-Q329 VanDerWaalsContact C-N 3.33Å; Y327-Q329 PolarHBondContact O-N 2.95Å; Y327-H330 PolarHBondContact O-N 3.46Å; Y327-Q331 WeakPolarHBondContact O-CB 3.41Å; Y327-Q331 PolarHBondContact O-N 2.9Å
328L77.5Confident72.6Confident67 Ų6797.4 Ų97.435%0.35149%0.487SS..Hα-helixtrans-61.1-39.7175.6-73.6172.9000112.5H324 N325 Q331 L332H324-L328 WeakPolarHBondContact O-CG 3.3Å; H324-L328 PolarHBondContact O-N 3.31Å; N325-L328 PolarHBondContact O-N 3.1Å; L328-Q331 PolarHBondContact O-N 3.24Å; L328-L332 WeakPolarHBondContact O-CB 3.43Å; L328-L332 VanDerWaalsContact O-CG 3.32Å; L328-L332 WeakPolarHBondContact O-CG 3.4Å; L328-L332 PolarHBondContact O-N 3.43Å
329Q78.6Confident73.3Confident109 Ų10997.4 Ų97.451%0.50948%0.481SS..Hα-helixtrans-64-43177.1-173.7176.38.300111.7N325 L326 Y327 L332 Q333N325-Q329 WeakPolarHBondContact O-CB 3.45Å; N325-Q329 PolarHBondContact O-N 2.77Å; L326-Q329 PolarHBondContact O-N 3.39Å; Y327-Q329 VanDerWaalsContact C-N 3.33Å; Y327-Q329 PolarHBondContact O-N 2.95Å; Q329-L332 PolarHBondContact O-N 3.43Å; Q329-Q333 WeakPolarHBondContact O-CG 3.39Å; Q329-Q333 PolarHBondContact O-N 2.85Å
330H80.4Confident73.4Confident109 Ų10999.7 Ų99.751%0.50549%0.487SS..Hα-helixtrans-66.3-40.9176.2-159.3160.3000111L326 Y327 L332 Q333 Q334L326-H330 PolarHBondContact O-N 2.93Å; Y327-H330 PolarHBondContact O-N 3.46Å; H330-L332 PolarHBondContact O-N 2.99Å; H330-Q333 WeakPolarHBondContact O-CB 3.47Å; H330-Q333 PolarHBondContact O-N 3.18Å; H330-Q334 PolarHBondContact CD2-NE2 2.93Å; H330-Q334 VanDerWaalsContact CD2-NE2 3.34Å; H330-Q334 PolarHBondContact NE2-NE2 2.98Å; H330-Q334 WeakPolarHBondContact O-CG 3.15Å; H330-Q334 PolarHBondContact O-N 2.8Å
331Q78.7Confident73.2Confident89 Ų89100.9 Ų100.942%0.41649%0.49SS..Hα-helixtrans-63-39.9176.7-165.5171.122.800112.2Y327 L328 Q334 E335Y327-Q331 WeakPolarHBondContact O-CB 3.41Å; Y327-Q331 PolarHBondContact O-N 2.9Å; L328-Q331 PolarHBondContact O-N 3.24Å; Q331-Q334 PolarHBondContact O-N 2.69Å; Q331-E335 PolarHBondContact O-N 2.94Å
332L78.5Confident72.9Confident100 Ų100101.6 Ų101.652%0.52449%0.492SS..Hα-helixtrans-65.5-36.8173.2-73.2167.7000112.7L328 Q329 H330 Q334 E335 N336L328-L332 WeakPolarHBondContact O-CB 3.43Å; L328-L332 VanDerWaalsContact O-CG 3.32Å; L328-L332 WeakPolarHBondContact O-CG 3.4Å; L328-L332 PolarHBondContact O-N 3.43Å; Q329-L332 PolarHBondContact O-N 3.43Å; H330-L332 PolarHBondContact O-N 2.99Å; L332-Q334 VanDerWaalsContact C-N 3.35Å; L332-E335 PolarHBondContact O-N 3.27Å; L332-N336 WeakPolarHBondContact O-CB 3.47Å; L332-N336 VanDerWaalsContact O-CG 3.27Å; L332-N336 PolarHBondContact O-N 3.03Å; L332-N336 PolarHBondContact O-ND2 2.83Å
333Q77.1Confident72.3Confident113 Ų113101.9 Ų101.953%0.52850%0.497SS..Hα-helixtrans-64.4-38.8173.6-75.2174.1-18.700111.8Q329 H330 N336 A337Q329-Q333 WeakPolarHBondContact O-CG 3.39Å; Q329-Q333 PolarHBondContact O-N 2.85Å; H330-Q333 WeakPolarHBondContact O-CB 3.47Å; H330-Q333 PolarHBondContact O-N 3.18Å; Q333-N336 PolarHBondContact O-N 3.04Å; Q333-A337 WeakPolarHBondContact O-CB 3.25Å; Q333-A337 PolarHBondContact O-N 2.99Å
334Q76.2Confident71.5Confident112 Ų112102.9 Ų102.952%0.52350%0.502SS..Hα-helixtrans-68.5-39.3176.1-68.2176.413.100112.5H330 Q331 L332 S338H330-Q334 PolarHBondContact CD2-NE2 2.93Å; H330-Q334 VanDerWaalsContact CD2-NE2 3.34Å; H330-Q334 PolarHBondContact NE2-NE2 2.98Å; H330-Q334 WeakPolarHBondContact O-CG 3.15Å; H330-Q334 PolarHBondContact O-N 2.8Å; Q331-Q334 PolarHBondContact O-N 2.69Å; L332-Q334 VanDerWaalsContact C-N 3.35Å; Q334-S338 WeakPolarHBondContact O-CB 3.46Å; Q334-S338 PolarHBondContact O-N 2.75Å; Q334-S338 VanDerWaalsContact O-N 3.1Å; Q334-S338 PolarHBondContact O-OG 3.22Å
335E74.5Confident70.4Confident108 Ų108107.7 Ų107.751%0.50552%0.515SS..Hα-helixtrans-62.7-42.2171.2-77.8-157.9122.400112.1Q331 L332 S338 R339Q331-E335 PolarHBondContact O-N 2.94Å; L332-E335 PolarHBondContact O-N 3.27Å; E335-S338 PolarHBondContact O-N 3.46Å; E335-R339 WeakPolarHBondContact O-CG 3.34Å; E335-R339 PolarHBondContact O-N 2.86Å
336N75Confident69.5Low82 Ų82109.8 Ų109.844%0.43952%0.522SS..Hα-helixtrans-67.3-47.1179.9-73.1-16.5000112.2L332 Q333 S338 R339 E340L332-N336 WeakPolarHBondContact O-CB 3.47Å; L332-N336 VanDerWaalsContact O-CG 3.27Å; L332-N336 PolarHBondContact O-N 3.03Å; L332-N336 PolarHBondContact O-ND2 2.83Å; Q333-N336 PolarHBondContact O-N 3.04Å; N336-S338 VanDerWaalsContact C-N 3.25Å; N336-S338 PolarHBondContact O-N 3.37Å; N336-R339 WeakPolarHBondContact O-CB 3.27Å; N336-R339 PolarHBondContact O-N 2.85Å; N336-E340 WeakPolarHBondContact O-CG 3.3Å; N336-E340 PolarHBondContact O-N 2.94Å
337A73Confident68Low44 Ų44111 Ų11136%0.36453%0.533SS..Hα-helixtrans-59.6-37175.800000112.1Q333 Q341Q333-A337 WeakPolarHBondContact O-CB 3.25Å; Q333-A337 PolarHBondContact O-N 2.99Å; A337-Q341 WeakPolarHBondContact O-CG 3.47Å; A337-Q341 PolarHBondContact O-N 2.96Å
338S68.9Low66.5Low72 Ų72113 Ų11350%0.50354%0.544SS..Hα-helixtrans-64.5-42.3173.6-58.10000112Q334 E335 N336 Q341 T342Q334-S338 WeakPolarHBondContact O-CB 3.46Å; Q334-S338 PolarHBondContact O-N 2.75Å; Q334-S338 VanDerWaalsContact O-N 3.1Å; Q334-S338 PolarHBondContact O-OG 3.22Å; E335-S338 PolarHBondContact O-N 3.46Å; N336-S338 VanDerWaalsContact C-N 3.25Å; N336-S338 PolarHBondContact O-N 3.37Å; S338-Q341 PolarHBondContact O-N 3.43Å; S338-T342 PolarHBondContact O-N 2.82Å; S338-T342 VanDerWaalsContact O-N 3.11Å
339R67.6Low64.9Low146 Ų146120.6 Ų120.655%0.55157%0.568SS**Hα-helixtrans-64.9-44.1177.2-75.4171.4175.1-142.4-1.9112.5E335 N336 Q341 T342 H343E335-R339 WeakPolarHBondContact O-CG 3.34Å; E335-R339 PolarHBondContact O-N 2.86Å; N336-R339 WeakPolarHBondContact O-CB 3.27Å; N336-R339 PolarHBondContact O-N 2.85Å; R339-Q341 VanDerWaalsContact C-N 3.32Å; R339-Q341 PolarHBondContact O-N 3.26Å; R339-T342 WeakPolarHBondContact CA-OG1 3.32Å; R339-T342 PolarHBondContact O-N 3.36Å; R339-T342 VanDerWaalsContact O-N 3.09Å; R339-T342 PolarHBondContact O-OG1 2.96Å; R339-H343 PolarHBondContact O-CD2 3.41Å; R339-H343 PolarHBondContact O-N 2.95Å
340E64.9Low63.3Low119 Ų119122.5 Ų122.556%0.55658%0.582SS**Hα-helixtrans-59.3-43177-73.4171.1-165.700111.5N336 T342 H343 Q344N336-E340 WeakPolarHBondContact O-CG 3.3Å; N336-E340 PolarHBondContact O-N 2.94Å; E340-T342 VanDerWaalsContact C-N 3.35Å; E340-T342 PolarHBondContact O-N 3.28Å; E340-H343 PolarHBondContact O-N 3.38Å; E340-Q344 WeakPolarHBondContact O-CG 3.5Å; E340-Q344 PolarHBondContact O-N 2.84Å
341Q57.8Low62Low128 Ų128124.5 Ų124.560%0.59860%0.597SS**Hα-helixtrans-63.8-36.2173.8-69.5-178.330.400112.9A337 S338 R339 R345A337-Q341 WeakPolarHBondContact O-CG 3.47Å; A337-Q341 PolarHBondContact O-N 2.96Å; S338-Q341 PolarHBondContact O-N 3.43Å; R339-Q341 VanDerWaalsContact C-N 3.32Å; R339-Q341 PolarHBondContact O-N 3.26Å; Q341-R345 WeakPolarHBondContact O-CG 3.4Å; Q341-R345 PolarHBondContact O-N 2.96Å
342T56.7Low60.3Low77 Ų77125.8 Ų125.847%0.47261%0.613SS.*Hα-helixtrans-69.5-38.9173.955.70000113S338 R339 E340 R345 Q346S338-T342 PolarHBondContact O-N 2.82Å; S338-T342 VanDerWaalsContact O-N 3.11Å; R339-T342 WeakPolarHBondContact CA-OG1 3.32Å; R339-T342 PolarHBondContact O-N 3.36Å; R339-T342 VanDerWaalsContact O-N 3.09Å; R339-T342 PolarHBondContact O-OG1 2.96Å; E340-T342 VanDerWaalsContact C-N 3.35Å; E340-T342 PolarHBondContact O-N 3.28Å; T342-R345 PolarHBondContact O-N 3.21Å; T342-Q346 WeakPolarHBondContact O-CG 3.4Å; T342-Q346 PolarHBondContact O-N 2.91Å
343H56.4Low58.7Low114 Ų114128.3 Ų128.353%0.52863%0.627SS.*Hα-helixtrans-70.3-41.3178-73.6-49.9000112.2R339 E340 R345 Q346 T347R339-H343 PolarHBondContact O-CD2 3.41Å; R339-H343 PolarHBondContact O-N 2.95Å; E340-H343 PolarHBondContact O-N 3.38Å; H343-R345 PolarHBondContact O-N 3.46Å; H343-Q346 PolarHBondContact O-N 3.11Å; H343-T347 PolarHBondContact O-N 2.73Å; H343-T347 VanDerWaalsContact O-N 3.16Å; H343-T347 PolarHBondContact O-OG1 3.29Å
344Q53.5Low57.2Low140 Ų140132.2 Ų132.265%0.65464%0.642SS**Hα-helixtrans-65-24174.6-69.3-176.524.300113.4E340 T347E340-Q344 WeakPolarHBondContact O-CG 3.5Å; E340-Q344 PolarHBondContact O-N 2.84Å; Q344-T347 PolarHBondContact O-OG1 3.05Å
345R51.4Low55.5Low216 Ų216137.1 Ų137.182%0.81566%0.662SS**Hα-helixtrans-79-17.9171-76.9-177.8172.5-159.2-2.3113.9Q341 T342 H343Q341-R345 WeakPolarHBondContact O-CG 3.4Å; Q341-R345 PolarHBondContact O-N 2.96Å; T342-R345 PolarHBondContact O-N 3.21Å; H343-R345 PolarHBondContact O-N 3.46Å
346Q54.8Low54Low132 Ų132137.8 Ų137.862%0.61768%0.679SS**Hα-helixtrans-91.8-24.4177.2-72.2175-12.800113.1T342 H343 K348T342-Q346 WeakPolarHBondContact O-CG 3.4Å; T342-Q346 PolarHBondContact O-N 2.91Å; H343-Q346 PolarHBondContact O-N 3.11Å; Q346-K348 PolarHBondContact O-N 3.09Å
347T49.6Very low52.3Low106 Ų106141.2 Ų141.265%0.6570%0.695SS**THydrogen-bonded Turntrans-82.40.1-176.551.20000115.8H343 Q344H343-T347 PolarHBondContact O-N 2.73Å; H343-T347 VanDerWaalsContact O-N 3.16Å; H343-T347 PolarHBondContact O-OG1 3.29Å; Q344-T347 PolarHBondContact O-OG1 3.05Å
348K45.8Very low50.8Low189 Ų189145.8 Ų145.882%0.82272%0.719SS**THydrogen-bonded Turntrans-103.421.3177.3-82-169.1172.8-176.10115.4Q346Q346-K348 PolarHBondContact O-N 3.09Å
349R43.3Very low49.2Very low227 Ų227147.8 Ų147.886%0.85773%0.728SS**  trans-139.874.8172.6-72.2-173.8175.3-178.1-1.8111.8
350N45.7Very low47.9Very low150 Ų150148.6 Ų148.680%0.80274%0.743SS**  trans-148.1104168-88.2-46.9000109.3
351D52.7Low46.5Very low151 Ų151151.3 Ų151.381%0.80776%0.756SS**  trans-99.6108.7180-148.9-25.5000109.1N353D351-N353 VanDerWaalsContact C-N 3.3Å; D351-N353 PolarHBondContact O-N 3.45Å
352P42.1Very low45.4Very low116 Ų116150.8 Ų150.875%0.75377%0.767SS**SBendtrans-87.453.1-158.235.8-38.3000113.4
353N46.6Very low44.7Very low152 Ų152156.6 Ų156.681%0.81379%0.788SS**  trans-148.632.9-171.2-108.3-28.8000116.9D351D351-N353 VanDerWaalsContact C-N 3.3Å; D351-N353 PolarHBondContact O-N 3.45Å
354K44.1Very low43.8Very low195 Ų195160.1 Ų160.185%0.84881%0.805SS**  trans-140.766.1174.3-158-179.7-179.3-177.50115.3
355F41.7Very low43.3Very low216 Ų216158.1 Ų158.195%0.94781%0.807SS**  trans-130.3107.9160.4-90.2-82.7000110.5
356S41.3Very low43.3Very low122 Ų122154.2 Ų154.285%0.85381%0.807SS**  trans-133.2133.1166.4-64.80000107.2
357I40.1Very low43.4Very low154 Ų154154.7 Ų154.779%0.7981%0.809SS**  trans-81.5134.8-160-63.5161.2000111.3
358T40.7Very low43.9Very low140 Ų140155.2 Ų155.286%0.85981%0.808SS**  trans-142.8114.2149.5-42.60000109
359T36.1Very low44.9Very low113 Ų113150 Ų15069%0.69380%0.795SS**  trans-76.1130.7-178.2-51.70000110.9
360N40.2Very low46.5Very low163 Ų163143.4 Ų143.487%0.87278%0.783SS**  trans-155.6167.9149.5-97.7-32.7000109.9
361Q35.8Very low48.6Very low176 Ų176140.7 Ų140.782%0.82277%0.772SS**  trans-98.3165.5-161.5-65.2169.5-8.600113.3
362S35.3Very low50.5Low118 Ų118138.5 Ų138.583%0.82576%0.755SS**  trans54.284.7170.359.50000117.3
363E40.3Very low52.9Low199 Ų199133.8 Ų133.893%0.9373%0.725SS**  trans-118.8118.8145.3-73-168.1160.400108.9
364E39.6Very low55.1Low187 Ų187131.3 Ų131.387%0.87472%0.717SS**  trans-74.4124.8178.4-173.4171.1-139.700109V366E364-V366 PolarHBondContact O-N 2.99Å
365S41.5Very low57.4Low99 Ų99125.6 Ų125.669%0.69269%0.691SS**  trans-65.6103.5-173.961.60000110.7Q367S365-Q367 VanDerWaalsContact C-N 3.28Å; S365-Q367 PolarHBondContact O-N 3.42Å
366V52.2Low59.9Low134 Ų134117.2 Ų117.281%0.81266%0.659SS**  trans-63.591.8169.4-178.10000107.8E364 D368E364-V366 PolarHBondContact O-N 2.99Å; V366-D368 PolarHBondContact O-N 3.37Å
367Q57.4Low62.5Low142 Ų142114.1 Ų114.166%0.66463%0.629SS**  trans-60.2121.2167.5-70.5-171.90.500107.3S365 S369S365-Q367 VanDerWaalsContact C-N 3.28Å; S365-Q367 PolarHBondContact O-N 3.42Å; Q367-S369 PolarHBondContact O-N 2.84Å
368D58.5Low65.1Low117 Ų117108.3 Ų108.363%0.62660%0.599SS**  trans-50.4107.8173.1-86.8-50.4000109V366 S370 V371V366-D368 PolarHBondContact O-N 3.37Å; D368-S370 PolarHBondContact O-N 3.04Å; D368-V371 HydrophobicContact CB-CB 4.47Å; D368-V371 HydrophobicContact CB-CG2 3.67Å; D368-V371 PolarHBondContact O-N 2.97Å
369S68.4Low67.7Low80 Ų80101.7 Ų101.756%0.55956%0.559SS**THydrogen-bonded Turntrans-65.7-11.4-169.555.80000113.2Q367 Y408Q367-S369 PolarHBondContact O-N 2.84Å; S369-Y408 WeakPolarHBondContact O-CA 3.44Å; S369-Y408 PolarHBondContact O-N 3.15Å; S369-Y408 VanDerWaalsContact O-N 3.15Å
370S76.8Confident70.5Confident87 Ų8796.3 Ų96.361%0.60853%0.526SS*.THydrogen-bonded Turntrans-84.8-13173.958.20000114.5D368 Y408D368-S370 PolarHBondContact O-N 3.04Å; S370-Y408 VanDerWaalsContact O-CD2 3.24Å; S370-Y408 WeakPolarHBondContact O-CD2 3.29Å; S370-Y408 WeakPolarHBondContact O-CE2 3.41Å
371V89.2Confident73.2Confident93 Ų9388.6 Ų88.656%0.56448%0.484SS*.SBendtrans-86.2126.8-176.5178.50000111D368 P373D368-V371 HydrophobicContact CB-CB 4.47Å; D368-V371 HydrophobicContact CB-CG2 3.67Å; D368-V371 PolarHBondContact O-N 2.97Å; V371-P373 WeakPolarHBondContact O-CD 3.32Å
372K92.5Very high76Confident106 Ų10680.2 Ų80.246%0.46145%0.445SS..PPolyproline II helixtrans-68.5125.3176.9-175.4172.3-179.2176.80111Y408 Y409K372-Y408 HydrophobicContact CB-CD1 4.14Å; K372-Y408 HydrophobicContact CB-CD2 4.28Å; K372-Y408 HydrophobicContact CB-CE1 3.75Å; K372-Y408 HydrophobicContact CB-CE2 3.9Å; K372-Y408 HydrophobicContact CB-CG 4.39Å; K372-Y408 HydrophobicContact CD-CE1 3.93Å; K372-Y408 HydrophobicContact CG-CD1 4.05Å; K372-Y408 HydrophobicContact CG-CE1 3.56Å; K372-Y409 WeakPolarHBondContact CE-OH 3.44Å
373P92.8Very high78.9Confident16 Ų1675.3 Ų75.310%0.10441%0.409CS..PPolyproline II helixtrans-60.1148.7177.5-23.532000113.1V371 Y375 Y406 Y409V371-P373 WeakPolarHBondContact O-CD 3.32Å; P373-Y375 HydrophobicContact CB-CD2 3.75Å; P373-Y375 HydrophobicContact CB-CE2 4.35Å; P373-Y375 PolarHBondContact O-N 3.37Å; P373-Y406 HydrophobicContact CB-CD1 3.92Å; P373-Y406 HydrophobicContact CB-CE1 4.2Å; P373-Y406 HydrophobicContact CB-CG 4.42Å; P373-Y406 HydrophobicContact CG-CD1 3.48Å; P373-Y406 VanDerWaalsContact CG-CD1 3.48Å; P373-Y406 HydrophobicContact CG-CE1 4.25Å; P373-Y406 HydrophobicContact CG-CG 3.71Å; P373-Y409 HydrophobicContact CG-CE2 4.04Å
374P91.8Very high81.5Confident101 Ų10165.9 Ų65.966%0.65637%0.365SS*.SBendtrans-73.116.8-177.631.9-37.4000114.6
375Y93.5Very high84.2Confident75 Ų7557.1 Ų57.129%0.29432%0.324SS..  trans-100.3139.8-175.1-56.3-65.2000112.1P373 L380 M383 Y406P373-Y375 HydrophobicContact CB-CD2 3.75Å; P373-Y375 HydrophobicContact CB-CE2 4.35Å; P373-Y375 PolarHBondContact O-N 3.37Å; Y375-L380 HydrophobicContact CD2-CD2 4.46Å; Y375-M383 HydrophobicContact CD1-CE 4.03Å; Y375-M383 HydrophobicContact CD2-CE 4Å; Y375-M383 HydrophobicContact CE1-CE 4.48Å; Y375-M383 HydrophobicContact CE2-CE 4.47Å; Y375-M383 HydrophobicContact CG-CE 3.77Å; Y375-Y406 AromaticContact CD2-CE1 3.97Å; Y375-Y406 HydrophobicContact CD2-CE1 3.97Å; Y375-Y406 AromaticContact CD2-CZ 3.82Å; Y375-Y406 AromaticContact CE2-CE1 3.81Å; Y375-Y406 HydrophobicContact CE2-CE1 3.81Å; Y375-Y406 AromaticContact CE2-CZ 3.85Å; Y375-Y406 WeakPolarHBondContact CE2-OH 3.5Å
376S94Very high86.7Confident39 Ų3955.5 Ų55.527%0.27331%0.313SS..  trans-72.8156.6171.471.10000111.3I378 A379 L380S376-I378 PolarHBondContact O-N 3Å; S376-A379 WeakPolarHBondContact O-CA 3.31Å; S376-A379 WeakPolarHBondContact O-CB 3.36Å; S376-A379 PolarHBondContact O-N 3.44Å; S376-A379 PolarHBondContact OG-N 2.91Å; S376-L380 WeakPolarHBondContact O-CG 3.46Å; S376-L380 PolarHBondContact O-N 2.99Å
377Y96.3Very high88.7Confident57 Ų5751.9 Ų51.922%0.22429%0.294CS..Hα-helixtrans-55.8-34.5174.1-66.4-54.7000112.9L380 I381 Y409 W416 I420Y377-L380 HydrophobicContact CD1-CD1 4.11Å; Y377-L380 PolarHBondContact O-N 3.46Å; Y377-I381 WeakPolarHBondContact O-CB 3.48Å; Y377-I381 WeakPolarHBondContact O-CD1 3.4Å; Y377-I381 WeakPolarHBondContact O-CG1 3.21Å; Y377-I381 PolarHBondContact O-N 3.03Å; Y377-Y409 HydrophobicContact CE1-CE1 4.17Å; Y377-W416 HydrophobicContact CE1-CB 4.19Å; Y377-I420 HydrophobicContact CD1-CD1 3.87Å; Y377-I420 HydrophobicContact CD1-CG1 4.41Å; Y377-I420 HydrophobicContact CG-CD1 4.41Å
378I94.4Very high90.4Very high33 Ų3348.5 Ų48.517%0.16928%0.278CS..Hα-helixtrans-61.4-43.9173.9-63.7174000110.7S376 A382 N423 N427 F430 F456S376-I378 PolarHBondContact O-N 3Å; I378-A382 WeakPolarHBondContact O-CB 3.28Å; I378-A382 PolarHBondContact O-N 3.16Å; I378-N423 WeakPolarHBondContact CG1-OD1 3.46Å; I378-N427 WeakPolarHBondContact CD1-OD1 3.32Å; I378-F430 HydrophobicContact CB-CE2 4.48Å; I378-F430 HydrophobicContact CB-CZ 4.47Å; I378-F430 HydrophobicContact CG1-CE2 4.46Å; I378-F430 HydrophobicContact CG2-CE2 4.14Å; I378-F430 HydrophobicContact CG2-CZ 3.88Å; I378-F430 WeakPolarHBondContact O-CZ 2.84Å; I378-F456 HydrophobicContact CG2-CE1 4.41Å; I378-F456 HydrophobicContact CG2-CZ 3.91Å
379A94.4Very high92Very high1 Ų153 Ų531%0.00829%0.287CS..Hα-helixtrans-70.5-40177.700000112.7S376 I381 A382 M383 Y461S376-A379 WeakPolarHBondContact O-CA 3.31Å; S376-A379 WeakPolarHBondContact O-CB 3.36Å; S376-A379 PolarHBondContact O-N 3.44Å; S376-A379 PolarHBondContact OG-N 2.91Å; A379-I381 VanDerWaalsContact C-N 3.3Å; A379-I381 PolarHBondContact O-N 2.89Å; A379-A382 PolarHBondContact O-N 3.4Å; A379-M383 WeakPolarHBondContact O-CG 3.38Å; A379-M383 PolarHBondContact O-N 3.05Å; A379-Y461 HydrophobicContact CB-CD1 4.34Å; A379-Y461 WeakPolarHBondContact CB-O 3.5Å
380L95.9Very high93.2Very high0 Ų052.6 Ų52.60%028%0.279CS..Hα-helixtrans-59.9-40.1174.2-68.3171.8000111.9Y375 S376 Y377 M383 A384 I402 Y406 Y409Y375-L380 HydrophobicContact CD2-CD2 4.46Å; S376-L380 WeakPolarHBondContact O-CG 3.46Å; S376-L380 PolarHBondContact O-N 2.99Å; Y377-L380 HydrophobicContact CD1-CD1 4.11Å; Y377-L380 PolarHBondContact O-N 3.46Å; L380-M383 HydrophobicContact CD2-CE 3.94Å; L380-A384 VanDerWaalsContact O-CB 3.3Å; L380-A384 WeakPolarHBondContact O-CB 3.39Å; L380-A384 PolarHBondContact O-N 3.36Å; L380-A384 VanDerWaalsContact O-N 3.11Å; L380-I402 HydrophobicContact CB-CD1 3.88Å; L380-I402 HydrophobicContact CB-CG1 4.18Å; L380-Y406 HydrophobicContact CD2-CD2 3.6Å; L380-Y406 HydrophobicContact CD2-CE2 3.33Å; L380-Y409 HydrophobicContact CD1-CE2 3.75Å
381I96.9Very high93.9Very high0 Ų050 Ų500%027%0.266CS..Hα-helixtrans-66.9-45.2173.4-67160.2000110.8Y377 A379 A384 I385 I398 I420 N423 L424 F430Y377-I381 WeakPolarHBondContact O-CB 3.48Å; Y377-I381 WeakPolarHBondContact O-CD1 3.4Å; Y377-I381 WeakPolarHBondContact O-CG1 3.21Å; Y377-I381 PolarHBondContact O-N 3.03Å; A379-I381 VanDerWaalsContact C-N 3.3Å; A379-I381 PolarHBondContact O-N 2.89Å; I381-A384 PolarHBondContact O-N 3.41Å; I381-I385 HydrophobicContact CG2-CD1 3.77Å; I381-I385 HydrophobicContact CG2-CG1 4.44Å; I381-I385 WeakPolarHBondContact O-CG1 3.37Å; I381-I385 PolarHBondContact O-N 3.38Å; I381-I398 HydrophobicContact CG1-CG2 4.23Å; I381-I398 HydrophobicContact CG2-CD1 4.34Å; I381-I420 HydrophobicContact CD1-CD1 4.09Å; I381-I420 HydrophobicContact CD1-CG2 4.33Å; I381-I420 HydrophobicContact CG1-CD1 3.82Å; I381-I420 HydrophobicContact CG1-CG2 4.26Å; I381-N423 HydrophobicContact CD1-CB 3.81Å; I381-L424 HydrophobicContact CD1-CD2 4.1Å; I381-L424 HydrophobicContact CD1-CG 3.96Å; I381-L424 HydrophobicContact CG1-CD2 4.42Å; I381-L424 HydrophobicContact CG2-CD2 3.6Å; I381-F430 HydrophobicContact CB-CE1 4.08Å; I381-F430 HydrophobicContact CB-CE2 4.2Å; I381-F430 HydrophobicContact CB-CZ 3.76Å; I381-F430 HydrophobicContact CD1-CD2 4.5Å; I381-F430 HydrophobicContact CD1-CE2 4.03Å; I381-F430 HydrophobicContact CD1-CZ 4.45Å; I381-F430 HydrophobicContact CG2-CD1 3.7Å; I381-F430 HydrophobicContact CG2-CD2 4.23Å; I381-F430 HydrophobicContact CG2-CE1 3.39Å; I381-F430 HydrophobicContact CG2-CE2 3.95Å; I381-F430 HydrophobicContact CG2-CG 4.12Å; I381-F430 HydrophobicContact CG2-CZ 3.53Å
382A94.7Very high94.2Very high0 Ų048.4 Ų48.40%025%0.251CS..Hα-helixtrans-59.9-49.4179.300000111.6I378 A379 A384 I385 S386 F456 Y461I378-A382 WeakPolarHBondContact O-CB 3.28Å; I378-A382 PolarHBondContact O-N 3.16Å; A379-A382 PolarHBondContact O-N 3.4Å; A382-A384 VanDerWaalsContact C-N 3.31Å; A382-A384 PolarHBondContact O-N 2.99Å; A382-I385 PolarHBondContact O-N 2.81Å; A382-I385 VanDerWaalsContact O-N 3.12Å; A382-S386 PolarHBondContact O-N 3.44Å; A382-S386 PolarHBondContact O-OG 3.02Å; A382-F456 HydrophobicContact CB-CD1 3.84Å; A382-F456 HydrophobicContact CB-CD2 4Å; A382-F456 HydrophobicContact CB-CE1 3.64Å; A382-F456 HydrophobicContact CB-CE2 3.81Å; A382-F456 HydrophobicContact CB-CG 3.99Å; A382-F456 HydrophobicContact CB-CZ 3.59Å; A382-Y461 HydrophobicContact CB-CE1 4.35Å
383M94.9Very high94.4Very high16 Ų1643.4 Ų43.48%0.07923%0.23CC..Hα-helixtrans-58.2-42175-68-176.1-67.300111.9Y375 A379 L380 I385 S386 S387 Y401 Y406 Y461Y375-M383 HydrophobicContact CD1-CE 4.03Å; Y375-M383 HydrophobicContact CD2-CE 4Å; Y375-M383 HydrophobicContact CE1-CE 4.48Å; Y375-M383 HydrophobicContact CE2-CE 4.47Å; Y375-M383 HydrophobicContact CG-CE 3.77Å; A379-M383 WeakPolarHBondContact O-CG 3.38Å; A379-M383 PolarHBondContact O-N 3.05Å; L380-M383 HydrophobicContact CD2-CE 3.94Å; M383-I385 VanDerWaalsContact C-N 3.29Å; M383-I385 PolarHBondContact O-N 2.71Å; M383-S386 PolarHBondContact O-N 3.49Å; M383-S387 WeakPolarHBondContact O-CB 3.35Å; M383-S387 PolarHBondContact O-N 2.78Å; M383-Y401 HydrophobicContact CB-CE1 3.86Å; M383-Y406 HydrophobicContact CE-CE2 4.23Å; M383-Y406 VanDerWaalsContact CE-OH 3.29Å; M383-Y406 WeakPolarHBondContact CE-OH 3.47Å; M383-Y461 HydrophobicContact CB-CE1 4.45Å; M383-Y461 HydrophobicContact CG-CD1 3.34Å; M383-Y461 HydrophobicContact CG-CD2 4.19Å; M383-Y461 HydrophobicContact CG-CE1 3.31Å; M383-Y461 HydrophobicContact CG-CE2 4.18Å; M383-Y461 HydrophobicContact CG-CG 3.8Å; M383-Y461 HydrophobicContact SD-CD1 3.92Å; M383-Y461 HydrophobicContact SD-CD2 4.04Å; M383-Y461 HydrophobicContact SD-CE1 4.35Å; M383-Y461 HydrophobicContact SD-CE2 4.48Å; M383-Y461 HydrophobicContact SD-CG 3.74Å
384A96.7Very high94.6Very high0 Ų044.3 Ų44.30%024%0.235CC..Hα-helixtrans-66.9-24.6177.600000114.6L380 I381 A382 I398 Y401L380-A384 VanDerWaalsContact O-CB 3.3Å; L380-A384 WeakPolarHBondContact O-CB 3.39Å; L380-A384 PolarHBondContact O-N 3.36Å; L380-A384 VanDerWaalsContact O-N 3.11Å; I381-A384 PolarHBondContact O-N 3.41Å; A382-A384 VanDerWaalsContact C-N 3.31Å; A382-A384 PolarHBondContact O-N 2.99Å; A384-I398 HydrophobicContact CB-CB 4.29Å; A384-I398 HydrophobicContact CB-CG1 4.12Å; A384-I398 HydrophobicContact CB-CG2 4.09Å; A384-Y401 VanDerWaalsContact CA-CD1 3.49Å; A384-Y401 HydrophobicContact CB-CD1 3.42Å; A384-Y401 VanDerWaalsContact CB-CD1 3.42Å; A384-Y401 HydrophobicContact CB-CE1 4.1Å; A384-Y401 HydrophobicContact CB-CG 3.73Å
385I95.9Very high94.8Very high3 Ų341.9 Ų41.92%0.01522%0.216CC..Hα-helixtrans-83.5-48.1174.4-69.3171.3000109.7I381 A382 M383 S387 Q388 G391 A393 F430 W446 L448I381-I385 HydrophobicContact CG2-CD1 3.77Å; I381-I385 HydrophobicContact CG2-CG1 4.44Å; I381-I385 WeakPolarHBondContact O-CG1 3.37Å; I381-I385 PolarHBondContact O-N 3.38Å; A382-I385 PolarHBondContact O-N 2.81Å; A382-I385 VanDerWaalsContact O-N 3.12Å; M383-I385 VanDerWaalsContact C-N 3.29Å; M383-I385 PolarHBondContact O-N 2.71Å; I385-S387 PolarHBondContact O-N 2.81Å; I385-Q388 PolarHBondContact O-N 3.49Å; I385-Q388 VanDerWaalsContact O-N 3.07Å; I385-G391 WeakPolarHBondContact CG2-O 3.32Å; I385-A393 HydrophobicContact CG1-CB 3.98Å; I385-F430 HydrophobicContact CD1-CD1 3.97Å; I385-F430 HydrophobicContact CD1-CE1 4.3Å; I385-W446 HydrophobicContact CD1-CB 4.46Å; I385-L448 HydrophobicContact CG2-CB 4.42Å
386S93.2Very high95Very high66 Ų6642.4 Ų42.446%0.46222%0.224SC..Hα-helixtrans-65-20.8178.7-57.30000113.8A382 M383 Q388A382-S386 PolarHBondContact O-N 3.44Å; A382-S386 PolarHBondContact O-OG 3.02Å; M383-S386 PolarHBondContact O-N 3.49Å; S386-Q388 VanDerWaalsContact C-N 3.25Å; S386-Q388 PolarHBondContact O-N 2.89Å
387S93.6Very high95.1Very high57 Ų5741.4 Ų41.440%0.39922%0.22SC..THydrogen-bonded Turntrans-76-8.3173.4110.90000114.1M383 I385 Y401M383-S387 WeakPolarHBondContact O-CB 3.35Å; M383-S387 PolarHBondContact O-N 2.78Å; I385-S387 PolarHBondContact O-N 2.81Å; S387-Y401 VanDerWaalsContact OG-CD2 3.32Å; S387-Y401 WeakPolarHBondContact OG-CD2 3.42Å; S387-Y401 WeakPolarHBondContact OG-CE2 3.29Å
388Q94Very high95.2Very high71 Ų7138.7 Ų38.733%0.33221%0.209SC..SBendtrans-95.9128.2178.6-53.9-59.6-79.500109.1I385 S386 D390 G391 A393I385-Q388 PolarHBondContact O-N 3.49Å; I385-Q388 VanDerWaalsContact O-N 3.07Å; S386-Q388 VanDerWaalsContact C-N 3.25Å; S386-Q388 PolarHBondContact O-N 2.89Å; Q388-D390 PolarHBondContact O-N 3.1Å; Q388-G391 PolarHBondContact O-N 3.33Å; Q388-A393 HydrophobicContact CG-CB 4.03Å
389Y92.7Very high95.4Very high211 Ų21138.1 Ų38.183%0.82721%0.205SC*.THydrogen-bonded Turntrans-54.9-29.2178.567.1-90.5000113.1G391Y389-G391 VanDerWaalsContact C-N 3.32Å
390D92.1Very high95.5Very high73 Ų7345.3 Ų45.339%0.3923%0.232SC..THydrogen-bonded Turntrans-81.6-3.4179.4-108.1-35.8000113.7Q388 K392Q388-D390 PolarHBondContact O-N 3.1Å; D390-K392 HydrophobicContact CB-CD 3.87Å; D390-K392 HydrophobicContact CB-CG 3.93Å; D390-K392 PolarHBondContact O-N 2.71Å; D390-K392 VanDerWaalsContact O-N 3.11Å; D390-K392 IonicContact OD1-NZ 2.74Å; D390-K392 PolarHBondContact OD1-NZ 2.81Å; D390-K392 VanDerWaalsContact OD2-CE 3.25Å; D390-K392 WeakPolarHBondContact OD2-CE 3.21Å; D390-K392 IonicContact OD2-NZ 3.05Å; D390-K392 PolarHBondContact OD2-NZ 3.19Å; D390-K392 VanDerWaalsContact OD2-NZ 3.13Å
391G93.2Very high95.6Very high31 Ų3147.2 Ų47.232%0.3224%0.24SC..SBendtrans62.214.4-173.500000114.8I385 Q388 Y389I385-G391 WeakPolarHBondContact CG2-O 3.32Å; Q388-G391 PolarHBondContact O-N 3.33Å; Y389-G391 VanDerWaalsContact C-N 3.32Å
392K94.6Very high95.6Very high60 Ų6047.2 Ų47.226%0.26124%0.24SC..EExtended strand (participates in β ladder)trans-139.4133-174.379.9-142.5178-152.70111.4D390 F445 W446 T447D390-K392 HydrophobicContact CB-CD 3.87Å; D390-K392 HydrophobicContact CB-CG 3.93Å; D390-K392 PolarHBondContact O-N 2.71Å; D390-K392 VanDerWaalsContact O-N 3.11Å; D390-K392 IonicContact OD1-NZ 2.74Å; D390-K392 PolarHBondContact OD1-NZ 2.81Å; D390-K392 VanDerWaalsContact OD2-CE 3.25Å; D390-K392 WeakPolarHBondContact OD2-CE 3.21Å; D390-K392 IonicContact OD2-NZ 3.05Å; D390-K392 PolarHBondContact OD2-NZ 3.19Å; D390-K392 VanDerWaalsContact OD2-NZ 3.13Å; K392-F445 HydrophobicContact CB-CB 4.36Å; K392-F445 HydrophobicContact CG-CB 4.32Å; K392-F445 HydrophobicContact CG-CD1 3.79Å; K392-F445 HydrophobicContact CG-CE1 4.25Å; K392-F445 HydrophobicContact CG-CG 4.08Å; K392-W446 WeakPolarHBondContact CA-O 3.07Å; K392-T447 HydrophobicContact CB-CG2 3.47Å; K392-T447 VanDerWaalsContact CB-CG2 3.47Å
393A96.4Very high95.6Very high1 Ų148.7 Ų48.71%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-121146.1179.800000111.5I385 Q388 I398 F445 W446I385-A393 HydrophobicContact CG1-CB 3.98Å; Q388-A393 HydrophobicContact CG-CB 4.03Å; A393-I398 HydrophobicContact CB-CD1 4.29Å; A393-I398 HydrophobicContact CB-CG1 3.74Å; A393-F445 CarbonylContact O-C 3.59Å; A393-W446 PolarHBondContact N-O 3.38Å; A393-W446 PolarHBondContact O-N 2.79Å
394T96.9Very high95.7Very high35 Ų3552.7 Ų52.722%0.21527%0.268CS..EExtended strand (participates in β ladder)trans-81155.9167.368.80000109.7N396 G397 I398 F445T394-N396 PolarHBondContact O-N 3.47Å; T394-N396 VanDerWaalsContact O-N 3.12Å; T394-G397 WeakPolarHBondContact O-CA 3.39Å; T394-G397 PolarHBondContact O-N 3.09Å; T394-G397 PolarHBondContact OG1-N 3.33Å; T394-G397 VanDerWaalsContact OG1-N 3.09Å; T394-I398 PolarHBondContact O-N 2.91Å; T394-F445 HydrophobicContact CG2-CD1 3.69Å; T394-F445 HydrophobicContact CG2-CE1 3.65Å
395L97.6Very high95.6Very high51 Ų5156.5 Ų56.527%0.26729%0.289SS..Hα-helixtrans-51.7-38.3175.6177.763.2000112.6Y399 I420 R421 L424L395-Y399 HydrophobicContact CD1-CD1 4.41Å; L395-Y399 HydrophobicContact CD1-CE1 3.63Å; L395-Y399 HydrophobicContact CG-CE1 4.08Å; L395-Y399 HydrophobicContact CG-CE2 4.12Å; L395-Y399 WeakPolarHBondContact O-CD1 3.32Å; L395-Y399 PolarHBondContact O-N 3.39Å; L395-I420 HydrophobicContact CD1-CG2 4.23Å; L395-R421 HydrophobicContact CD1-CG 4.08Å; L395-R421 HydrophobicContact CD2-CG 4.05Å; L395-L424 HydrophobicContact CD1-CD1 3.58Å
396N96.8Very high95.6Very high85 Ų8557.7 Ų57.746%0.45529%0.293SS..Hα-helixtrans-74.9-29.6177.3-165.865.7000113T394 Y399 R400T394-N396 PolarHBondContact O-N 3.47Å; T394-N396 VanDerWaalsContact O-N 3.12Å; N396-Y399 PolarHBondContact O-N 2.93Å; N396-R400 WeakPolarHBondContact O-CG 3.35Å; N396-R400 PolarHBondContact O-N 3.36Å; N396-R400 VanDerWaalsContact O-N 3.08Å
397G96.6Very high95.6Very high18 Ų1856.5 Ų56.519%0.18628%0.284CS..Hα-helixtrans-65-44.1170.500000111.9T394 Y399 R400 Y401T394-G397 WeakPolarHBondContact O-CA 3.39Å; T394-G397 PolarHBondContact O-N 3.09Å; T394-G397 PolarHBondContact OG1-N 3.33Å; T394-G397 VanDerWaalsContact OG1-N 3.09Å; G397-Y399 VanDerWaalsContact C-N 3.32Å; G397-Y399 PolarHBondContact O-N 3.26Å; G397-R400 PolarHBondContact O-N 2.91Å; G397-Y401 PolarHBondContact O-N 3.19Å
398I97.9Very high95.7Very high0 Ų058 Ų580%028%0.281CS..Hα-helixtrans-58.7-43.9174.2-62.5166.8000110.6I381 A384 A393 T394 I402 I420 L424 W446I381-I398 HydrophobicContact CG1-CG2 4.23Å; I381-I398 HydrophobicContact CG2-CD1 4.34Å; A384-I398 HydrophobicContact CB-CB 4.29Å; A384-I398 HydrophobicContact CB-CG1 4.12Å; A384-I398 HydrophobicContact CB-CG2 4.09Å; A393-I398 HydrophobicContact CB-CD1 4.29Å; A393-I398 HydrophobicContact CB-CG1 3.74Å; T394-I398 PolarHBondContact O-N 2.91Å; I398-I402 HydrophobicContact CG2-CD1 3.78Å; I398-I402 VanDerWaalsContact O-CG1 3.27Å; I398-I402 WeakPolarHBondContact O-CG1 3.34Å; I398-I402 PolarHBondContact O-N 3.41Å; I398-I402 VanDerWaalsContact O-N 3.14Å; I398-I420 HydrophobicContact CG2-CG2 3.99Å; I398-L424 HydrophobicContact CD1-CD1 4.11Å; I398-L424 HydrophobicContact CD1-CD2 4.15Å; I398-W446 HydrophobicContact CD1-CB 4.39Å
399Y97.8Very high95.7Very high21 Ų2154.7 Ų54.78%0.08227%0.266CS..Hα-helixtrans-61.6-43.6175.9-62.2-19.1000113L395 N396 G397 M403 W416 Q417 I420 R421L395-Y399 HydrophobicContact CD1-CD1 4.41Å; L395-Y399 HydrophobicContact CD1-CE1 3.63Å; L395-Y399 HydrophobicContact CG-CE1 4.08Å; L395-Y399 HydrophobicContact CG-CE2 4.12Å; L395-Y399 WeakPolarHBondContact O-CD1 3.32Å; L395-Y399 PolarHBondContact O-N 3.39Å; N396-Y399 PolarHBondContact O-N 2.93Å; G397-Y399 VanDerWaalsContact C-N 3.32Å; G397-Y399 PolarHBondContact O-N 3.26Å; Y399-M403 WeakPolarHBondContact O-CE 3.25Å; Y399-M403 WeakPolarHBondContact O-CG 3.42Å; Y399-M403 PolarHBondContact O-N 2.96Å; Y399-M403 VanDerWaalsContact O-N 3.13Å; Y399-W416 HydrophobicContact CD1-CH2 4.3Å; Y399-W416 AromaticContact CD1-CZ3 3.97Å; Y399-W416 HydrophobicContact CD1-CZ3 3.97Å; Y399-W416 HydrophobicContact CG-CH2 4.45Å; Y399-Q417 HydrophobicContact CD1-CB 4.36Å; Y399-Q417 HydrophobicContact CD1-CG 3.77Å; Y399-Q417 HydrophobicContact CD2-CG 4.3Å; Y399-Q417 HydrophobicContact CE1-CB 3.72Å; Y399-Q417 HydrophobicContact CE1-CG 3.64Å; Y399-Q417 HydrophobicContact CE2-CB 4.43Å; Y399-Q417 HydrophobicContact CE2-CG 4.19Å; Y399-Q417 HydrophobicContact CG-CG 4.1Å; Y399-I420 HydrophobicContact CD1-CG2 4.35Å; Y399-I420 HydrophobicContact CE1-CB 4.27Å; Y399-I420 HydrophobicContact CE1-CG2 3.98Å; Y399-R421 WeakPolarHBondContact OH-CG 3.24Å; Y399-R421 PolarHBondContact OH-NH1 3.2Å
400R97Very high95.8Very high152 Ų15250.9 Ų50.957%0.57425%0.25SS*.Hα-helixtrans-60.7-59.2176.8-74.6177.9-176.9175.1-1.1110.4N396 G397 I402 M403 D404N396-R400 WeakPolarHBondContact O-CG 3.35Å; N396-R400 PolarHBondContact O-N 3.36Å; N396-R400 VanDerWaalsContact O-N 3.08Å; G397-R400 PolarHBondContact O-N 2.91Å; R400-I402 PolarHBondContact O-N 3.42Å; R400-M403 CarbonylContact O-C 3.59Å; R400-M403 WeakPolarHBondContact O-CA 3.41Å; R400-M403 PolarHBondContact O-N 2.94Å; R400-D404 WeakPolarHBondContact O-CB 3.37Å; R400-D404 PolarHBondContact O-N 3.39Å
401Y97.4Very high95.8Very high41 Ų4154 Ų5416%0.16126%0.262CS..Hα-helixtrans-46.8-45179.6179.4-88.4000112.7M383 A384 S387 G397 D404 N405M383-Y401 HydrophobicContact CB-CE1 3.86Å; A384-Y401 VanDerWaalsContact CA-CD1 3.49Å; A384-Y401 HydrophobicContact CB-CD1 3.42Å; A384-Y401 VanDerWaalsContact CB-CD1 3.42Å; A384-Y401 HydrophobicContact CB-CE1 4.1Å; A384-Y401 HydrophobicContact CB-CG 3.73Å; S387-Y401 VanDerWaalsContact OG-CD2 3.32Å; S387-Y401 WeakPolarHBondContact OG-CD2 3.42Å; S387-Y401 WeakPolarHBondContact OG-CE2 3.29Å; G397-Y401 PolarHBondContact O-N 3.19Å; Y401-D404 PolarHBondContact O-N 2.86Å; Y401-N405 VanDerWaalsContact CD2-ND2 3.35Å; Y401-N405 WeakPolarHBondContact CD2-ND2 3.18Å; Y401-N405 VanDerWaalsContact CE2-ND2 3.28Å; Y401-N405 WeakPolarHBondContact CE2-ND2 3.23Å; Y401-N405 WeakPolarHBondContact O-CB 3.26Å; Y401-N405 PolarHBondContact O-N 3.25Å; Y401-N405 PolarHBondContact O-ND2 2.82Å
402I97.4Very high95.5Very high0 Ų059 Ų590%028%0.282CS..Hα-helixtrans-68-43.2178.9-66.5171.3000112.1L380 I398 R400 D404 Y406 Y409 W416 I420L380-I402 HydrophobicContact CB-CD1 3.88Å; L380-I402 HydrophobicContact CB-CG1 4.18Å; I398-I402 HydrophobicContact CG2-CD1 3.78Å; I398-I402 VanDerWaalsContact O-CG1 3.27Å; I398-I402 WeakPolarHBondContact O-CG1 3.34Å; I398-I402 PolarHBondContact O-N 3.41Å; I398-I402 VanDerWaalsContact O-N 3.14Å; R400-I402 PolarHBondContact O-N 3.42Å; I402-D404 VanDerWaalsContact C-N 3.34Å; I402-Y406 WeakPolarHBondContact O-CA 3.36Å; I402-Y406 WeakPolarHBondContact O-CB 3.35Å; I402-Y406 PolarHBondContact O-N 3.38Å; I402-Y409 HydrophobicContact CG2-CD2 3.42Å; I402-Y409 VanDerWaalsContact CG2-CD2 3.42Å; I402-Y409 HydrophobicContact CG2-CE2 4.16Å; I402-Y409 HydrophobicContact CG2-CG 3.63Å; I402-W416 HydrophobicContact CB-CZ3 4.42Å; I402-W416 HydrophobicContact CD1-CZ3 4.46Å; I402-W416 HydrophobicContact CG2-CH2 4.43Å; I402-W416 HydrophobicContact CG2-CZ3 4.15Å; I402-I420 HydrophobicContact CD1-CD1 3.59Å; I402-I420 HydrophobicContact CD1-CG1 4.21Å
403M95.6Very high95.3Very high30 Ų3061 Ų6115%0.14829%0.29CS..Hα-helixtrans-69.9-30.8176.8-70.3-175.9-59.100113.1Y399 R400 R410 K413 W416Y399-M403 WeakPolarHBondContact O-CE 3.25Å; Y399-M403 WeakPolarHBondContact O-CG 3.42Å; Y399-M403 PolarHBondContact O-N 2.96Å; Y399-M403 VanDerWaalsContact O-N 3.13Å; R400-M403 CarbonylContact O-C 3.59Å; R400-M403 WeakPolarHBondContact O-CA 3.41Å; R400-M403 PolarHBondContact O-N 2.94Å; M403-R410 HydrophobicContact CB-CG 4.14Å; M403-R410 PolarHBondContact O-NE 2.83Å; M403-R410 PolarHBondContact O-NH2 3.37Å; M403-K413 HydrophobicContact SD-CD 4.09Å; M403-W416 HydrophobicContact CG-CH2 3.92Å; M403-W416 HydrophobicContact CG-CZ2 3.71Å; M403-W416 HydrophobicContact SD-CH2 4.45Å; M403-W416 HydrophobicContact SD-CZ2 4.08Å
404D95.8Very high95.2Very high100 Ų10067.4 Ų67.454%0.53532%0.32SS..Hα-helixtrans-76.5-50.9-175.8-59.7-27000109.8R400 Y401 I402 R410R400-D404 WeakPolarHBondContact O-CB 3.37Å; R400-D404 PolarHBondContact O-N 3.39Å; Y401-D404 PolarHBondContact O-N 2.86Å; I402-D404 VanDerWaalsContact C-N 3.34Å; D404-R410 PolarHBondContact O-NH2 3.25Å
405N95.4Very high95.1Very high81 Ų8168 Ų6843%0.43333%0.333SS..Hα-helixtrans-78.1-27.1179.3-67.6-92.6000114.1Y401Y401-N405 VanDerWaalsContact CD2-ND2 3.35Å; Y401-N405 WeakPolarHBondContact CD2-ND2 3.18Å; Y401-N405 VanDerWaalsContact CE2-ND2 3.28Å; Y401-N405 WeakPolarHBondContact CE2-ND2 3.23Å; Y401-N405 WeakPolarHBondContact O-CB 3.26Å; Y401-N405 PolarHBondContact O-N 3.25Å; Y401-N405 PolarHBondContact O-ND2 2.82Å
406Y94.9Very high95.1Very high27 Ų2766.1 Ų66.111%0.10632%0.322CS..  trans-130.789.5-174.7-55.3-65.6000111.3P373 Y375 L380 M383 I402 Y408 Y409P373-Y406 HydrophobicContact CB-CD1 3.92Å; P373-Y406 HydrophobicContact CB-CE1 4.2Å; P373-Y406 HydrophobicContact CB-CG 4.42Å; P373-Y406 HydrophobicContact CG-CD1 3.48Å; P373-Y406 VanDerWaalsContact CG-CD1 3.48Å; P373-Y406 HydrophobicContact CG-CE1 4.25Å; P373-Y406 HydrophobicContact CG-CG 3.71Å; Y375-Y406 AromaticContact CD2-CE1 3.97Å; Y375-Y406 HydrophobicContact CD2-CE1 3.97Å; Y375-Y406 AromaticContact CD2-CZ 3.82Å; Y375-Y406 AromaticContact CE2-CE1 3.81Å; Y375-Y406 HydrophobicContact CE2-CE1 3.81Å; Y375-Y406 AromaticContact CE2-CZ 3.85Å; Y375-Y406 WeakPolarHBondContact CE2-OH 3.5Å; L380-Y406 HydrophobicContact CD2-CD2 3.6Å; L380-Y406 HydrophobicContact CD2-CE2 3.33Å; M383-Y406 HydrophobicContact CE-CE2 4.23Å; M383-Y406 VanDerWaalsContact CE-OH 3.29Å; M383-Y406 WeakPolarHBondContact CE-OH 3.47Å; I402-Y406 WeakPolarHBondContact O-CA 3.36Å; I402-Y406 WeakPolarHBondContact O-CB 3.35Å; I402-Y406 PolarHBondContact O-N 3.38Å; Y406-Y408 PolarHBondContact O-N 2.82Å; Y406-Y409 PolarHBondContact O-N 2.83Å
407P93.9Very high95.1Very high41 Ų4163.5 Ų63.527%0.26631%0.307SS..G310 helixtrans-51.5-31.2-174.6-31.136.9000115.6Y409 R410P407-Y409 PolarHBondContact O-N 3.35Å; P407-Y409 VanDerWaalsContact O-N 3.09Å; P407-R410 WeakPolarHBondContact O-CB 3.32Å; P407-R410 VanDerWaalsContact O-CG 3.26Å; P407-R410 WeakPolarHBondContact O-CG 3.46Å; P407-R410 PolarHBondContact O-N 3.49Å
408Y94.9Very high95.2Very high88 Ų8867 Ų6735%0.34532%0.322SS..G310 helixtrans-46.2-37.3173.2176.3-100.3000114.3S369 S370 K372 Y406 R410S369-Y408 WeakPolarHBondContact O-CA 3.44Å; S369-Y408 PolarHBondContact O-N 3.15Å; S369-Y408 VanDerWaalsContact O-N 3.15Å; S370-Y408 VanDerWaalsContact O-CD2 3.24Å; S370-Y408 WeakPolarHBondContact O-CD2 3.29Å; S370-Y408 WeakPolarHBondContact O-CE2 3.41Å; K372-Y408 HydrophobicContact CB-CD1 4.14Å; K372-Y408 HydrophobicContact CB-CD2 4.28Å; K372-Y408 HydrophobicContact CB-CE1 3.75Å; K372-Y408 HydrophobicContact CB-CE2 3.9Å; K372-Y408 HydrophobicContact CB-CG 4.39Å; K372-Y408 HydrophobicContact CD-CE1 3.93Å; K372-Y408 HydrophobicContact CG-CD1 4.05Å; K372-Y408 HydrophobicContact CG-CE1 3.56Å; Y406-Y408 PolarHBondContact O-N 2.82Å; Y408-R410 VanDerWaalsContact C-N 3.3Å; Y408-R410 PolarHBondContact O-N 2.9Å
409Y95.8Very high95.1Very high3 Ų368.8 Ų68.81%0.01233%0.334CS..G310 helixtrans-85.53.7-178.8-65.3-69.2000113.7K372 P373 Y377 L380 I402 Y406 P407 E411 W416K372-Y409 WeakPolarHBondContact CE-OH 3.44Å; P373-Y409 HydrophobicContact CG-CE2 4.04Å; Y377-Y409 HydrophobicContact CE1-CE1 4.17Å; L380-Y409 HydrophobicContact CD1-CE2 3.75Å; I402-Y409 HydrophobicContact CG2-CD2 3.42Å; I402-Y409 VanDerWaalsContact CG2-CD2 3.42Å; I402-Y409 HydrophobicContact CG2-CE2 4.16Å; I402-Y409 HydrophobicContact CG2-CG 3.63Å; Y406-Y409 PolarHBondContact O-N 2.83Å; P407-Y409 PolarHBondContact O-N 3.35Å; P407-Y409 VanDerWaalsContact O-N 3.09Å; Y409-E411 VanDerWaalsContact C-N 3.25Å; Y409-E411 PolarHBondContact O-N 2.97Å; Y409-W416 HydrophobicContact CD1-CB 3.94Å; Y409-W416 AromaticContact CD1-CD1 3.81Å; Y409-W416 AromaticContact CD1-CD2 3.9Å; Y409-W416 HydrophobicContact CD1-CD2 3.9Å; Y409-W416 HydrophobicContact CD1-CE3 4.48Å; Y409-W416 AromaticContact CD1-CG 3.63Å; Y409-W416 HydrophobicContact CD1-CG 3.63Å; Y409-W416 HydrophobicContact CE1-CB 4.15Å; Y409-W416 HydrophobicContact CE1-CG 4.34Å; Y409-W416 HydrophobicContact CG-CD2 4.4Å; Y409-W416 WeakPolarHBondContact O-CZ2 3.47Å; Y409-W416 PolarHBondContact O-NE1 2.67Å
410R94.7Very high95.2Very high130 Ų13067.8 Ų67.849%0.49133%0.33SS..G310 helixtrans-69-27.1172.9-65.5173.1-174.9-179.64.9111.7M403 D404 P407 Y408 K413M403-R410 HydrophobicContact CB-CG 4.14Å; M403-R410 PolarHBondContact O-NE 2.83Å; M403-R410 PolarHBondContact O-NH2 3.37Å; D404-R410 PolarHBondContact O-NH2 3.25Å; P407-R410 WeakPolarHBondContact O-CB 3.32Å; P407-R410 VanDerWaalsContact O-CG 3.26Å; P407-R410 WeakPolarHBondContact O-CG 3.46Å; P407-R410 PolarHBondContact O-N 3.49Å; Y408-R410 VanDerWaalsContact C-N 3.3Å; Y408-R410 PolarHBondContact O-N 2.9Å; R410-K413 WeakPolarHBondContact O-CE 3.41Å
411E90.7Very high95.2Very high139 Ų13964 Ų6465%0.6532%0.316SS*.SBendtrans-88.7172174.2-62.2-170.1177.300113Y409 K413 W416Y409-E411 VanDerWaalsContact C-N 3.25Å; Y409-E411 PolarHBondContact O-N 2.97Å; E411-K413 PolarHBondContact O-N 2.87Å; E411-W416 PolarHBondContact O-NE1 2.87Å; E411-W416 VanDerWaalsContact O-NE1 3.07Å
412N88.2Confident95.2Very high135 Ų13566.9 Ų66.972%0.72233%0.331SS*.SBendtrans48.233.1168.3-71-62.8000115.4Q414 G415N412-Q414 VanDerWaalsContact C-N 3.3Å; N412-Q414 PolarHBondContact O-N 3.47Å; N412-G415 PolarHBondContact O-N 3.44Å
413K90.4Very high95.2Very high102 Ų10268 Ų6844%0.44334%0.337SS..Hα-helixtrans-47.1-46.3-165.6-64.9-174-175.2-176.10114M403 R410 E411 G415 W416 Q417M403-K413 HydrophobicContact SD-CD 4.09Å; R410-K413 WeakPolarHBondContact O-CE 3.41Å; E411-K413 PolarHBondContact O-N 2.87Å; K413-G415 VanDerWaalsContact C-N 3.29Å; K413-G415 PolarHBondContact O-N 3.47Å; K413-W416 HydrophobicContact CG-CZ2 4.5Å; K413-Q417 WeakPolarHBondContact O-CB 3.24Å; K413-Q417 WeakPolarHBondContact O-CG 3.18Å; K413-Q417 PolarHBondContact O-N 3.18Å
414Q92.8Very high95.3Very high137 Ų13766.8 Ų66.864%0.6433%0.331SS*.Hα-helixtrans-60.2-35-176.4-18065-33.700113.5N412 N418N412-Q414 VanDerWaalsContact C-N 3.3Å; N412-Q414 PolarHBondContact O-N 3.47Å; Q414-N418 WeakPolarHBondContact O-CB 3.44Å; Q414-N418 PolarHBondContact O-N 2.86Å; Q414-N418 VanDerWaalsContact O-N 3.16Å
415G95.2Very high95.2Very high46 Ų4666.3 Ų66.347%0.47434%0.335SS..Hα-helixtrans-70.4-57.9-176.800000112.9N412 K413 N418 S419N412-G415 PolarHBondContact O-N 3.44Å; K413-G415 VanDerWaalsContact C-N 3.29Å; K413-G415 PolarHBondContact O-N 3.47Å; G415-N418 PolarHBondContact O-N 2.83Å; G415-S419 PolarHBondContact O-N 2.82Å; G415-S419 PolarHBondContact O-OG 3.4Å
416W96.9Very high95.1Very high13 Ų1365.4 Ų65.45%0.04933%0.33CS..Hα-helixtrans-71.4-33.5-179.267.4-102.2000112.1Y377 Y399 I402 M403 Y409 E411 K413 N418 S419 I420Y377-W416 HydrophobicContact CE1-CB 4.19Å; Y399-W416 HydrophobicContact CD1-CH2 4.3Å; Y399-W416 AromaticContact CD1-CZ3 3.97Å; Y399-W416 HydrophobicContact CD1-CZ3 3.97Å; Y399-W416 HydrophobicContact CG-CH2 4.45Å; I402-W416 HydrophobicContact CB-CZ3 4.42Å; I402-W416 HydrophobicContact CD1-CZ3 4.46Å; I402-W416 HydrophobicContact CG2-CH2 4.43Å; I402-W416 HydrophobicContact CG2-CZ3 4.15Å; M403-W416 HydrophobicContact CG-CH2 3.92Å; M403-W416 HydrophobicContact CG-CZ2 3.71Å; M403-W416 HydrophobicContact SD-CH2 4.45Å; M403-W416 HydrophobicContact SD-CZ2 4.08Å; Y409-W416 HydrophobicContact CD1-CB 3.94Å; Y409-W416 AromaticContact CD1-CD1 3.81Å; Y409-W416 AromaticContact CD1-CD2 3.9Å; Y409-W416 HydrophobicContact CD1-CD2 3.9Å; Y409-W416 HydrophobicContact CD1-CE3 4.48Å; Y409-W416 AromaticContact CD1-CG 3.63Å; Y409-W416 HydrophobicContact CD1-CG 3.63Å; Y409-W416 HydrophobicContact CE1-CB 4.15Å; Y409-W416 HydrophobicContact CE1-CG 4.34Å; Y409-W416 HydrophobicContact CG-CD2 4.4Å; Y409-W416 WeakPolarHBondContact O-CZ2 3.47Å; Y409-W416 PolarHBondContact O-NE1 2.67Å; E411-W416 PolarHBondContact O-NE1 2.87Å; E411-W416 VanDerWaalsContact O-NE1 3.07Å; K413-W416 HydrophobicContact CG-CZ2 4.5Å; W416-N418 VanDerWaalsContact C-N 3.27Å; W416-N418 PolarHBondContact O-N 3.38Å; W416-S419 CarbonylContact O-C 3.56Å; W416-S419 WeakPolarHBondContact O-CA 3.48Å; W416-S419 VanDerWaalsContact O-CB 3.31Å; W416-S419 WeakPolarHBondContact O-CB 3.44Å; W416-S419 PolarHBondContact O-N 3.49Å; W416-I420 HydrophobicContact CE3-CG1 3.9Å; W416-I420 HydrophobicContact CZ3-CG1 4.2Å; W416-I420 WeakPolarHBondContact O-CG1 3.37Å; W416-I420 PolarHBondContact O-N 3.36Å
417Q97.9Very high95.1Very high29 Ų2964.6 Ų64.614%0.13633%0.328CS..Hα-helixtrans-64.6-32.5174.2-69.8179.75.400112Y399 K413 S419 I420 R421Y399-Q417 HydrophobicContact CD1-CB 4.36Å; Y399-Q417 HydrophobicContact CD1-CG 3.77Å; Y399-Q417 HydrophobicContact CD2-CG 4.3Å; Y399-Q417 HydrophobicContact CE1-CB 3.72Å; Y399-Q417 HydrophobicContact CE1-CG 3.64Å; Y399-Q417 HydrophobicContact CE2-CB 4.43Å; Y399-Q417 HydrophobicContact CE2-CG 4.19Å; Y399-Q417 HydrophobicContact CG-CG 4.1Å; K413-Q417 WeakPolarHBondContact O-CB 3.24Å; K413-Q417 WeakPolarHBondContact O-CG 3.18Å; K413-Q417 PolarHBondContact O-N 3.18Å; Q417-S419 VanDerWaalsContact C-N 3.34Å; Q417-I420 PolarHBondContact O-N 2.74Å; Q417-R421 WeakPolarHBondContact O-CG 3.49Å; Q417-R421 PolarHBondContact O-N 2.83Å; Q417-R421 PolarHBondContact O-NH1 3.26Å
418N97.7Very high94.9Very high93 Ų9364.2 Ų64.250%0.49732%0.323SS..Hα-helixtrans-65.7-39.6171-157.752.1000111.8Q414 G415 W416 I420 R421 H422Q414-N418 WeakPolarHBondContact O-CB 3.44Å; Q414-N418 PolarHBondContact O-N 2.86Å; Q414-N418 VanDerWaalsContact O-N 3.16Å; G415-N418 PolarHBondContact O-N 2.83Å; W416-N418 VanDerWaalsContact C-N 3.27Å; W416-N418 PolarHBondContact O-N 3.38Å; N418-I420 VanDerWaalsContact C-N 3.34Å; N418-I420 PolarHBondContact O-N 2.83Å; N418-R421 PolarHBondContact O-N 3.28Å; N418-R421 PolarHBondContact OD1-NH2 3Å; N418-H422 VanDerWaalsContact O-CB 3.3Å; N418-H422 WeakPolarHBondContact O-CB 3.48Å; N418-H422 PolarHBondContact O-N 2.84Å
419S97.7Very high94.8Very high36 Ų3660 Ų6025%0.25231%0.307SS..Hα-helixtrans-63.6-37.2174.2-55.10000112.6G415 W416 Q417 N423G415-S419 PolarHBondContact O-N 2.82Å; G415-S419 PolarHBondContact O-OG 3.4Å; W416-S419 CarbonylContact O-C 3.56Å; W416-S419 WeakPolarHBondContact O-CA 3.48Å; W416-S419 VanDerWaalsContact O-CB 3.31Å; W416-S419 WeakPolarHBondContact O-CB 3.44Å; W416-S419 PolarHBondContact O-N 3.49Å; Q417-S419 VanDerWaalsContact C-N 3.34Å; S419-N423 WeakPolarHBondContact O-CB 3.26Å; S419-N423 PolarHBondContact O-N 2.97Å; S419-N423 PolarHBondContact O-ND2 3.39Å
420I98Very high94.8Very high0 Ų060.4 Ų60.40%031%0.309CS..Hα-helixtrans-65-51.1174-67.9-68.8000110.9Y377 I381 L395 I398 Y399 I402 W416 Q417 N418 H422 N423 L424Y377-I420 HydrophobicContact CD1-CD1 3.87Å; Y377-I420 HydrophobicContact CD1-CG1 4.41Å; Y377-I420 HydrophobicContact CG-CD1 4.41Å; I381-I420 HydrophobicContact CD1-CD1 4.09Å; I381-I420 HydrophobicContact CD1-CG2 4.33Å; I381-I420 HydrophobicContact CG1-CD1 3.82Å; I381-I420 HydrophobicContact CG1-CG2 4.26Å; L395-I420 HydrophobicContact CD1-CG2 4.23Å; I398-I420 HydrophobicContact CG2-CG2 3.99Å; Y399-I420 HydrophobicContact CD1-CG2 4.35Å; Y399-I420 HydrophobicContact CE1-CB 4.27Å; Y399-I420 HydrophobicContact CE1-CG2 3.98Å; I402-I420 HydrophobicContact CD1-CD1 3.59Å; I402-I420 HydrophobicContact CD1-CG1 4.21Å; W416-I420 HydrophobicContact CE3-CG1 3.9Å; W416-I420 HydrophobicContact CZ3-CG1 4.2Å; W416-I420 WeakPolarHBondContact O-CG1 3.37Å; W416-I420 PolarHBondContact O-N 3.36Å; Q417-I420 PolarHBondContact O-N 2.74Å; N418-I420 VanDerWaalsContact C-N 3.34Å; N418-I420 PolarHBondContact O-N 2.83Å; I420-H422 VanDerWaalsContact C-N 3.3Å; I420-H422 PolarHBondContact O-N 3.07Å; I420-N423 PolarHBondContact O-N 3.15Å; I420-N423 VanDerWaalsContact O-N 3.15Å; I420-L424 HydrophobicContact CG2-CD1 4.03Å; I420-L424 WeakPolarHBondContact O-CG 3.37Å; I420-L424 PolarHBondContact O-N 2.88Å
421R98.3Very high94.8Very high74 Ų7456.7 Ų56.728%0.27930%0.3SS..Hα-helixtrans-55.1-46.7176.3-70.4-176.6-60.2-98.715.1111.6L395 Y399 Q417 N418 L424 S425L395-R421 HydrophobicContact CD1-CG 4.08Å; L395-R421 HydrophobicContact CD2-CG 4.05Å; Y399-R421 WeakPolarHBondContact OH-CG 3.24Å; Y399-R421 PolarHBondContact OH-NH1 3.2Å; Q417-R421 WeakPolarHBondContact O-CG 3.49Å; Q417-R421 PolarHBondContact O-N 2.83Å; Q417-R421 PolarHBondContact O-NH1 3.26Å; N418-R421 PolarHBondContact O-N 3.28Å; N418-R421 PolarHBondContact OD1-NH2 3Å; R421-L424 PolarHBondContact O-N 2.88Å; R421-S425 PolarHBondContact O-N 2.9Å; R421-S425 VanDerWaalsContact O-N 3.1Å; R421-S425 PolarHBondContact O-OG 3.2Å
422H97.3Very high95.1Very high101 Ų10156.6 Ų56.647%0.46830%0.298SS..Hα-helixtrans-58.8-47.7176.3173.665.7000112.1N418 I420 L424 S425 L426N418-H422 VanDerWaalsContact O-CB 3.3Å; N418-H422 WeakPolarHBondContact O-CB 3.48Å; N418-H422 PolarHBondContact O-N 2.84Å; I420-H422 VanDerWaalsContact C-N 3.3Å; I420-H422 PolarHBondContact O-N 3.07Å; H422-L424 PolarHBondContact O-N 3.28Å; H422-S425 WeakPolarHBondContact CA-OG 3.1Å; H422-S425 PolarHBondContact O-N 3.21Å; H422-S425 PolarHBondContact O-OG 2.91Å; H422-L426 VanDerWaalsContact CE1-CD1 3.44Å; H422-L426 WeakPolarHBondContact CE1-CD1 3.3Å; H422-L426 WeakPolarHBondContact O-CB 3.4Å; H422-L426 PolarHBondContact O-N 3.3Å
423N97Very high95.4Very high24 Ų2452.5 Ų52.513%0.12828%0.278CS..Hα-helixtrans-66-35.1-179.8-86.4-89.1000113.5I378 I381 S419 I420 L426 N427I378-N423 WeakPolarHBondContact CG1-OD1 3.46Å; I381-N423 HydrophobicContact CD1-CB 3.81Å; S419-N423 WeakPolarHBondContact O-CB 3.26Å; S419-N423 PolarHBondContact O-N 2.97Å; S419-N423 PolarHBondContact O-ND2 3.39Å; I420-N423 PolarHBondContact O-N 3.15Å; I420-N423 VanDerWaalsContact O-N 3.15Å; N423-L426 PolarHBondContact O-N 2.87Å; N423-N427 PolarHBondContact O-N 3.48Å; N423-N427 VanDerWaalsContact O-N 3.12Å; N423-N427 PolarHBondContact O-ND2 2.79Å; N423-N427 PolarHBondContact OD1-ND2 2.77Å
424L96.9Very high95.6Very high3 Ų352.2 Ų52.22%0.01629%0.286CS..Hα-helixtrans-63.2-42.7172.2-72167.7000111.7I381 L395 I398 I420 R421 H422 F430 W446I381-L424 HydrophobicContact CD1-CD2 4.1Å; I381-L424 HydrophobicContact CD1-CG 3.96Å; I381-L424 HydrophobicContact CG1-CD2 4.42Å; I381-L424 HydrophobicContact CG2-CD2 3.6Å; L395-L424 HydrophobicContact CD1-CD1 3.58Å; I398-L424 HydrophobicContact CD1-CD1 4.11Å; I398-L424 HydrophobicContact CD1-CD2 4.15Å; I420-L424 HydrophobicContact CG2-CD1 4.03Å; I420-L424 WeakPolarHBondContact O-CG 3.37Å; I420-L424 PolarHBondContact O-N 2.88Å; R421-L424 PolarHBondContact O-N 2.88Å; H422-L424 PolarHBondContact O-N 3.28Å; L424-F430 HydrophobicContact CD2-CB 3.96Å; L424-F430 HydrophobicContact CD2-CD2 4.21Å; L424-F430 HydrophobicContact CD2-CG 4.01Å; L424-W446 HydrophobicContact CB-CD2 4.29Å; L424-W446 HydrophobicContact CB-CE3 4.12Å; L424-W446 HydrophobicContact CB-CH2 3.86Å; L424-W446 HydrophobicContact CB-CZ2 4.05Å; L424-W446 HydrophobicContact CB-CZ3 3.89Å; L424-W446 HydrophobicContact CD1-CD2 4.26Å; L424-W446 HydrophobicContact CD1-CG 4.42Å; L424-W446 HydrophobicContact CD2-CB 4.28Å; L424-W446 HydrophobicContact CD2-CD2 3.85Å; L424-W446 HydrophobicContact CD2-CE3 3.88Å; L424-W446 HydrophobicContact CD2-CG 4.03Å; L424-W446 HydrophobicContact CD2-CZ3 4.48Å; L424-W446 HydrophobicContact CG-CD2 4.37Å; L424-W446 HydrophobicContact CG-CE3 4.5Å; L424-W446 WeakPolarHBondContact O-CZ3 3.5Å
425S95.6Very high95.5Very high91 Ų9149 Ų4964%0.63627%0.268SS*.Hα-helixtrans-76.7-21.1176.758.60000114.9R421 H422R421-S425 PolarHBondContact O-N 2.9Å; R421-S425 VanDerWaalsContact O-N 3.1Å; R421-S425 PolarHBondContact O-OG 3.2Å; H422-S425 WeakPolarHBondContact CA-OG 3.1Å; H422-S425 PolarHBondContact O-N 3.21Å; H422-S425 PolarHBondContact O-OG 2.91Å
426L93.1Very high95.2Very high61 Ų6151.4 Ų51.432%0.31927%0.27SS..Hα-helixtrans-94.5-32.6-172.9179.8145.9000113.2H422 N423 R467H422-L426 VanDerWaalsContact CE1-CD1 3.44Å; H422-L426 WeakPolarHBondContact CE1-CD1 3.3Å; H422-L426 WeakPolarHBondContact O-CB 3.4Å; H422-L426 PolarHBondContact O-N 3.3Å; N423-L426 PolarHBondContact O-N 2.87Å; L426-R467 PolarHBondContact O-NH2 3.49Å
427N93.1Very high94.6Very high11 Ų1158 Ų586%0.05931%0.306CS..  trans-104.2116.4-172.4-61.3-84000111.4I378 N423 C429 F430I378-N427 WeakPolarHBondContact CD1-OD1 3.32Å; N423-N427 PolarHBondContact O-N 3.48Å; N423-N427 VanDerWaalsContact O-N 3.12Å; N423-N427 PolarHBondContact O-ND2 2.79Å; N423-N427 PolarHBondContact OD1-ND2 2.77Å; N427-C429 PolarHBondContact O-N 2.84Å; N427-F430 HydrophobicContact CB-CD2 4.03Å; N427-F430 HydrophobicContact CB-CE2 4.22Å; N427-F430 PolarHBondContact O-N 3.03Å
428D91.5Very high94Very high32 Ų3262.3 Ų62.317%0.17134%0.335CS..THydrogen-bonded Turntrans-56.7-9.8-179-35.813.7000113.6F430 R467 F468 K469 T470 T473D428-F430 VanDerWaalsContact C-N 3.34Å; D428-R467 IonicContact OD1-CZ 3.97Å; D428-R467 IonicContact OD1-NE 2.67Å; D428-R467 IonicContact OD1-NH2 3.09Å; D428-R467 PolarHBondContact OD1-NH2 3.01Å; D428-F468 HydrophobicContact CB-CD1 4.23Å; D428-K469 WeakPolarHBondContact OD2-CA 3.09Å; D428-K469 WeakPolarHBondContact OD2-CG 3.12Å; D428-T470 HydrophobicContact CB-CG2 4.5Å; D428-T473 WeakPolarHBondContact OD2-CG2 3.25Å
429C92.8Very high93.2Very high1 Ų164.9 Ų64.91%0.00734%0.342CS..THydrogen-bonded Turntrans-78.9-13.317358.10000113.6N427 L448 H449 A452 F468N427-C429 PolarHBondContact O-N 2.84Å; C429-L448 HydrophobicContact CB-CD1 4.28Å; C429-L448 CarbonylContact O-C 3.54Å; C429-L448 WeakPolarHBondContact O-CA 3.44Å; C429-L448 WeakPolarHBondContact O-CD1 3.32Å; C429-H449 PolarHBondContact O-N 2.73Å; C429-A452 HydrophobicContact CB-CB 3.64Å; C429-F468 HydrophobicContact CB-CB 3.97Å; C429-F468 HydrophobicContact CB-CD1 3.54Å; C429-F468 HydrophobicContact CB-CE1 4.24Å; C429-F468 HydrophobicContact CB-CG 3.87Å
430F95.5Very high92.5Very high11 Ų1169 Ų695%0.04837%0.367CS..EExtended strand (participates in β ladder)trans-107.7109.9178-57.3-52.6000110.2I378 I381 I385 L424 N427 D428 W446 T447 L448I378-F430 HydrophobicContact CB-CE2 4.48Å; I378-F430 HydrophobicContact CB-CZ 4.47Å; I378-F430 HydrophobicContact CG1-CE2 4.46Å; I378-F430 HydrophobicContact CG2-CE2 4.14Å; I378-F430 HydrophobicContact CG2-CZ 3.88Å; I378-F430 WeakPolarHBondContact O-CZ 2.84Å; I381-F430 HydrophobicContact CB-CE1 4.08Å; I381-F430 HydrophobicContact CB-CE2 4.2Å; I381-F430 HydrophobicContact CB-CZ 3.76Å; I381-F430 HydrophobicContact CD1-CD2 4.5Å; I381-F430 HydrophobicContact CD1-CE2 4.03Å; I381-F430 HydrophobicContact CD1-CZ 4.45Å; I381-F430 HydrophobicContact CG2-CD1 3.7Å; I381-F430 HydrophobicContact CG2-CD2 4.23Å; I381-F430 HydrophobicContact CG2-CE1 3.39Å; I381-F430 HydrophobicContact CG2-CE2 3.95Å; I381-F430 HydrophobicContact CG2-CG 4.12Å; I381-F430 HydrophobicContact CG2-CZ 3.53Å; I385-F430 HydrophobicContact CD1-CD1 3.97Å; I385-F430 HydrophobicContact CD1-CE1 4.3Å; L424-F430 HydrophobicContact CD2-CB 3.96Å; L424-F430 HydrophobicContact CD2-CD2 4.21Å; L424-F430 HydrophobicContact CD2-CG 4.01Å; N427-F430 HydrophobicContact CB-CD2 4.03Å; N427-F430 HydrophobicContact CB-CE2 4.22Å; N427-F430 PolarHBondContact O-N 3.03Å; D428-F430 VanDerWaalsContact C-N 3.34Å; F430-W446 HydrophobicContact CB-CE3 4.19Å; F430-T447 WeakPolarHBondContact CA-O 3.16Å; F430-L448 HydrophobicContact CD1-CD1 4.14Å; F430-L448 HydrophobicContact CE1-CD1 3.87Å
431V95.2Very high91.9Very high52 Ų5270.9 Ų70.932%0.31539%0.387SS..EExtended strand (participates in β ladder)trans-95.6130-176.7-1770000109.3V433 W446 T447 H449V431-V433 HydrophobicContact CG1-CG2 4.38Å; V431-W446 WeakPolarHBondContact O-CA 3.22Å; V431-T447 PolarHBondContact N-O 3.36Å; V431-T447 PolarHBondContact O-N 3.04Å; V431-T447 PolarHBondContact O-OG1 3.05Å; V431-H449 HydrophobicContact CG2-CB 4.04Å
432K96.5Very high91.5Very high137 Ų13777.2 Ų77.260%0.59642%0.417SS*.EExtended strand (participates in β ladder)trans-83.5111.2174.5-177.9-168.8169.3-164.60109.2S444 W446K432-S444 WeakPolarHBondContact CE-OG 3.3Å; K432-W446 HydrophobicContact CB-CE3 4.09Å; K432-W446 HydrophobicContact CB-CH2 3.94Å; K432-W446 HydrophobicContact CB-CZ2 4.35Å; K432-W446 HydrophobicContact CB-CZ3 3.8Å; K432-W446 HydrophobicContact CG-CH2 4.35Å; K432-W446 HydrophobicContact CG-CZ2 4.31Å
433V94.2Very high91.2Very high49 Ų4974.9 Ų74.930%0.29742%0.42SS..EExtended strand (participates in β ladder)trans-101.4130.8179.7-176.70000109.3V431 S444 F445 T447V431-V433 HydrophobicContact CG1-CG2 4.38Å; V433-S444 VanDerWaalsContact O-CB 3.3Å; V433-S444 WeakPolarHBondContact O-CB 3.43Å; V433-F445 HydrophobicContact CB-CB 4.24Å; V433-F445 PolarHBondContact N-O 3.34Å; V433-F445 PolarHBondContact O-N 3.42Å; V433-T447 HydrophobicContact CG2-CG2 3.83Å; V433-T447 WeakPolarHBondContact CG2-OG1 3.39Å
434P93.6Very high91.1Very high96 Ų9675.1 Ų75.162%0.62342%0.424SS*.PPolyproline II helixtrans-60.6169.9174.527.1-34.5000111.8
435R92.1Very high91.1Very high68 Ų6876.8 Ų76.826%0.25743%0.431SS..PPolyproline II helixtrans-93.4154.1167.5-68-174.7-177.5-97.72109G441 K442 G443 F445R435-G441 WeakPolarHBondContact CD-O 3.45Å; R435-G441 VanDerWaalsContact NE-C 3.29Å; R435-G441 PolarHBondContact NE-O 2.95Å; R435-G441 VanDerWaalsContact NE-O 3.08Å; R435-K442 PolarHBondContact NH2-O 2.85Å; R435-G443 WeakPolarHBondContact CD-O 3.31Å; R435-G443 PolarHBondContact NE-O 3.49Å; R435-F445 HydrophobicContact CG-CD2 4.05Å; R435-F445 HydrophobicContact CG-CE2 3.93Å
436D88.4Confident91.2Very high97 Ų9774.3 Ų74.352%0.51941%0.408SS..PPolyproline II helixtrans-67.3133.1165.9-33-67000109.1T438 K439D436-T438 PolarHBondContact O-N 2.79Å; D436-T438 VanDerWaalsContact O-N 3.08Å; D436-K439 PolarHBondContact O-N 3.34Å
437D84.6Confident91.3Very high152 Ų15272.9 Ų72.981%0.81340%0.402SS*.THydrogen-bonded Turntrans-62-20.9-178.3-59.3-62.8000113.1K439D437-K439 PolarHBondContact O-N 3.27Å
438T85.9Confident91.3Very high119 Ų11972.8 Ų72.873%0.7340%0.401SS*.THydrogen-bonded Turntrans-63.9-17.3172.462.90000113.8D436D436-T438 PolarHBondContact O-N 2.79Å; D436-T438 VanDerWaalsContact O-N 3.08Å
439K79.5Confident91.4Very high147 Ų14772.9 Ų72.964%0.63940%0.4SS*.SBendtrans-13269.5-176.4-69.8177.9-176.9169.80110.9D436 D437 G441D436-K439 PolarHBondContact O-N 3.34Å; D437-K439 PolarHBondContact O-N 3.27Å; K439-G441 PolarHBondContact O-N 2.86Å
440P82.5Confident91.2Very high122 Ų12277.3 Ų77.379%0.79243%0.429SS*.  trans-56.9124.9-179.823.9-34.4000110.9
441G87Confident90.7Very high41 Ų4182.7 Ų82.742%0.42345%0.454SS..  trans-160154.3-173.900000112.8R435 K439 G443R435-G441 WeakPolarHBondContact CD-O 3.45Å; R435-G441 VanDerWaalsContact NE-C 3.29Å; R435-G441 PolarHBondContact NE-O 2.95Å; R435-G441 VanDerWaalsContact NE-O 3.08Å; K439-G441 PolarHBondContact O-N 2.86Å; G441-G443 PolarHBondContact O-N 3.48Å
442K88.8Confident90.3Very high206 Ų20680.2 Ų80.290%0.89644%0.439SS*.SBendtrans-67.3124.2-172.9-170.5169-176170.10112.1R435R435-K442 PolarHBondContact NH2-O 2.85Å
443G91.6Very high89.6Confident53 Ų5377 Ų7755%0.54643%0.427SS..SBendtrans66.8-176.3175.600000114.3R435 G441R435-G443 WeakPolarHBondContact CD-O 3.31Å; R435-G443 PolarHBondContact NE-O 3.49Å; G441-G443 PolarHBondContact O-N 3.48Å
444S95.2Very high88.9Confident28 Ų2880.7 Ų80.720%0.19644%0.444CS..  trans-92.4165.2-177.4-60.40000113.1K432 V433K432-S444 WeakPolarHBondContact CE-OG 3.3Å; V433-S444 VanDerWaalsContact O-CB 3.3Å; V433-S444 WeakPolarHBondContact O-CB 3.43Å
445F96.1Very high88.3Confident39 Ų3978.6 Ų78.617%0.17143%0.427CS..EExtended strand (participates in β ladder)trans-78.5157.5160.4-69.1-72.5000110.3K392 A393 T394 V433 R435K392-F445 HydrophobicContact CB-CB 4.36Å; K392-F445 HydrophobicContact CG-CB 4.32Å; K392-F445 HydrophobicContact CG-CD1 3.79Å; K392-F445 HydrophobicContact CG-CE1 4.25Å; K392-F445 HydrophobicContact CG-CG 4.08Å; A393-F445 CarbonylContact O-C 3.59Å; T394-F445 HydrophobicContact CG2-CD1 3.69Å; T394-F445 HydrophobicContact CG2-CE1 3.65Å; V433-F445 HydrophobicContact CB-CB 4.24Å; V433-F445 PolarHBondContact N-O 3.34Å; V433-F445 PolarHBondContact O-N 3.42Å; R435-F445 HydrophobicContact CG-CD2 4.05Å; R435-F445 HydrophobicContact CG-CE2 3.93Å
446W97.4Very high87.6Confident39 Ų3975.6 Ų75.615%0.14842%0.416CS..EExtended strand (participates in β ladder)trans-126.4126172.6-67.191.3000108.6I385 K392 A393 I398 L424 F430 V431 K432I385-W446 HydrophobicContact CD1-CB 4.46Å; K392-W446 WeakPolarHBondContact CA-O 3.07Å; A393-W446 PolarHBondContact N-O 3.38Å; A393-W446 PolarHBondContact O-N 2.79Å; I398-W446 HydrophobicContact CD1-CB 4.39Å; L424-W446 HydrophobicContact CB-CD2 4.29Å; L424-W446 HydrophobicContact CB-CE3 4.12Å; L424-W446 HydrophobicContact CB-CH2 3.86Å; L424-W446 HydrophobicContact CB-CZ2 4.05Å; L424-W446 HydrophobicContact CB-CZ3 3.89Å; L424-W446 HydrophobicContact CD1-CD2 4.26Å; L424-W446 HydrophobicContact CD1-CG 4.42Å; L424-W446 HydrophobicContact CD2-CB 4.28Å; L424-W446 HydrophobicContact CD2-CD2 3.85Å; L424-W446 HydrophobicContact CD2-CE3 3.88Å; L424-W446 HydrophobicContact CD2-CG 4.03Å; L424-W446 HydrophobicContact CD2-CZ3 4.48Å; L424-W446 HydrophobicContact CG-CD2 4.37Å; L424-W446 HydrophobicContact CG-CE3 4.5Å; L424-W446 WeakPolarHBondContact O-CZ3 3.5Å; F430-W446 HydrophobicContact CB-CE3 4.19Å; V431-W446 WeakPolarHBondContact O-CA 3.22Å; K432-W446 HydrophobicContact CB-CE3 4.09Å; K432-W446 HydrophobicContact CB-CH2 3.94Å; K432-W446 HydrophobicContact CB-CZ2 4.35Å; K432-W446 HydrophobicContact CB-CZ3 3.8Å; K432-W446 HydrophobicContact CG-CH2 4.35Å; K432-W446 HydrophobicContact CG-CZ2 4.31Å
447T95.7Very high86.8Confident31 Ų3175.2 Ų75.219%0.1941%0.414CS..EExtended strand (participates in β ladder)trans-113.9164.3174.7510000110.2K392 F430 V431 V433K392-T447 HydrophobicContact CB-CG2 3.47Å; K392-T447 VanDerWaalsContact CB-CG2 3.47Å; F430-T447 WeakPolarHBondContact CA-O 3.16Å; V431-T447 PolarHBondContact N-O 3.36Å; V431-T447 PolarHBondContact O-N 3.04Å; V431-T447 PolarHBondContact O-OG1 3.05Å; V433-T447 HydrophobicContact CG2-CG2 3.83Å; V433-T447 WeakPolarHBondContact CG2-OG1 3.39Å
448L93.9Very high86Confident8 Ų875 Ų754%0.04241%0.413CS..EExtended strand (participates in β ladder)trans-82.5139.7165-167.866.6000109I385 C429 F430 A452 H453 F456I385-L448 HydrophobicContact CG2-CB 4.42Å; C429-L448 HydrophobicContact CB-CD1 4.28Å; C429-L448 CarbonylContact O-C 3.54Å; C429-L448 WeakPolarHBondContact O-CA 3.44Å; C429-L448 WeakPolarHBondContact O-CD1 3.32Å; F430-L448 HydrophobicContact CD1-CD1 4.14Å; F430-L448 HydrophobicContact CE1-CD1 3.87Å; L448-A452 HydrophobicContact CD1-CB 4.03Å; L448-A452 HydrophobicContact CG-CB 4.09Å; L448-H453 HydrophobicContact CD2-CB 4.33Å; L448-H453 PolarHBondContact O-CE1 2.69Å; L448-F456 HydrophobicContact CD1-CD2 4.43Å; L448-F456 HydrophobicContact CD1-CE2 3.91Å; L448-F456 HydrophobicContact CD2-CD2 4.04Å; L448-F456 HydrophobicContact CD2-CE2 4.34Å
449H92.5Very high85.2Confident35 Ų3571.8 Ų71.816%0.16240%0.403CS..  trans-61.2140.5174.6-167.7-97.2000109.6C429 V431 E451 A452 H453 F468C429-H449 PolarHBondContact O-N 2.73Å; V431-H449 HydrophobicContact CG2-CB 4.04Å; H449-E451 IonicContact CE1-OE2 2.78Å; H449-E451 PolarHBondContact CE1-OE2 3.43Å; H449-E451 IonicContact ND1-OE2 3.13Å; H449-E451 PolarHBondContact ND1-OE2 3.03Å; H449-E451 PolarHBondContact O-N 2.87Å; H449-A452 HydrophobicContact CB-CB 4.02Å; H449-A452 WeakPolarHBondContact O-CA 3.42Å; H449-A452 WeakPolarHBondContact O-CB 3.24Å; H449-A452 PolarHBondContact O-N 3.16Å; H449-H453 PolarHBondContact O-CE1 2.8Å; H449-H453 PolarHBondContact O-ND1 2.91Å; H449-F468 HydrophobicContact CB-CE1 4.04Å; H449-F468 HydrophobicContact CB-CZ 4.27Å; H449-F468 AromaticContact ND1-CE1 3.91Å; H449-F468 AromaticContact ND1-CZ 3.49Å; H449-F468 WeakPolarHBondContact ND1-CZ 3.46Å
450P89.1Confident84.8Confident94 Ų9467.8 Ų67.861%0.6139%0.393SS*.G310 helixtrans-49.2-52.5-177.1-31.437.1000113.4A452 H453P450-A452 PolarHBondContact O-N 3.01Å; P450-H453 PolarHBondContact O-N 3.07Å; P450-H453 PolarHBondContact O-ND1 2.94Å
451E85.2Confident84.7Confident123 Ų12364.4 Ų64.458%0.57537%0.365SS*.G310 helixtrans-63-13.1177.5-57.1164.7167.700114.8H449 F468H449-E451 IonicContact CE1-OE2 2.78Å; H449-E451 PolarHBondContact CE1-OE2 3.43Å; H449-E451 IonicContact ND1-OE2 3.13Å; H449-E451 PolarHBondContact ND1-OE2 3.03Å; H449-E451 PolarHBondContact O-N 2.87Å; E451-F468 HydrophobicContact CB-CE2 3.87Å; E451-F468 HydrophobicContact CB-CZ 3.9Å; E451-F468 WeakPolarHBondContact OE2-CZ 3.39Å
452A85.8Confident84.3Confident0 Ų067.5 Ų67.50%037%0.371CS..G310 helixtrans-96.8-4.5-176.200000114.2C429 L448 H449 P450 M455 F456 F468C429-A452 HydrophobicContact CB-CB 3.64Å; L448-A452 HydrophobicContact CD1-CB 4.03Å; L448-A452 HydrophobicContact CG-CB 4.09Å; H449-A452 HydrophobicContact CB-CB 4.02Å; H449-A452 WeakPolarHBondContact O-CA 3.42Å; H449-A452 WeakPolarHBondContact O-CB 3.24Å; H449-A452 PolarHBondContact O-N 3.16Å; P450-A452 PolarHBondContact O-N 3.01Å; A452-M455 HydrophobicContact CB-SD 4.2Å; A452-M455 WeakPolarHBondContact O-CB 3.47Å; A452-M455 WeakPolarHBondContact O-CG 3.34Å; A452-M455 PolarHBondContact O-N 2.9Å; A452-F456 WeakPolarHBondContact O-CD2 3.2Å; A452-F468 HydrophobicContact CB-CD1 4.38Å; A452-F468 HydrophobicContact CB-CD2 4.02Å; A452-F468 HydrophobicContact CB-CE1 4.31Å; A452-F468 HydrophobicContact CB-CE2 3.97Å; A452-F468 HydrophobicContact CB-CG 4.24Å; A452-F468 HydrophobicContact CB-CZ 4.14Å
453H82.6Confident83.4Confident71 Ų7168.4 Ų68.433%0.32937%0.369SS..G310 helixtrans-62.5-51.4176.6-68.974000111L448 H449 P450 M455 F456 D457L448-H453 HydrophobicContact CD2-CB 4.33Å; L448-H453 PolarHBondContact O-CE1 2.69Å; H449-H453 PolarHBondContact O-CE1 2.8Å; H449-H453 PolarHBondContact O-ND1 2.91Å; P450-H453 PolarHBondContact O-N 3.07Å; P450-H453 PolarHBondContact O-ND1 2.94Å; H453-M455 PolarHBondContact O-N 3.46Å; H453-F456 PolarHBondContact O-N 3.41Å; H453-D457 VanDerWaalsContact O-CG 3.29Å; H453-D457 PolarHBondContact O-N 3.04Å
454N80.4Confident82.4Confident125 Ų12568.7 Ų68.767%0.66835%0.354SS*.G310 helixtrans-53.7-10.2176.3-53.845000114.8D457N454-D457 VanDerWaalsContact CA-OD2 3.23Å; N454-D457 WeakPolarHBondContact CA-OD2 3.5Å; N454-D457 PolarHBondContact N-OD2 3.01Å
455M79.9Confident81.2Confident53 Ų5377.3 Ų77.326%0.26139%0.388SS..G310 helixtrans-81.7-11174.5-51.8-16899.400114.3A452 H453 R464 F468A452-M455 HydrophobicContact CB-SD 4.2Å; A452-M455 WeakPolarHBondContact O-CB 3.47Å; A452-M455 WeakPolarHBondContact O-CG 3.34Å; A452-M455 PolarHBondContact O-N 2.9Å; H453-M455 PolarHBondContact O-N 3.46Å; M455-R464 VanDerWaalsContact SD-CZ 3.54Å; M455-R464 PolarHBondContact SD-NH2 3.09Å; M455-R464 VanDerWaalsContact SD-NH2 3.45Å; M455-F468 HydrophobicContact CE-CB 3.99Å; M455-F468 HydrophobicContact CE-CD2 4.16Å; M455-F468 HydrophobicContact SD-CB 3.65Å; M455-F468 HydrophobicContact SD-CD2 3.57Å; M455-F468 VanDerWaalsContact SD-CD2 3.57Å; M455-F468 HydrophobicContact SD-CG 3.93Å
456F77.5Confident80Confident4 Ų485.9 Ų85.92%0.01842%0.419CS..THydrogen-bonded Turntrans-131.6-23.5-173.7-58.6-79.2000113.5I378 A382 L448 A452 H453 N458 G459 Y461I378-F456 HydrophobicContact CG2-CE1 4.41Å; I378-F456 HydrophobicContact CG2-CZ 3.91Å; A382-F456 HydrophobicContact CB-CD1 3.84Å; A382-F456 HydrophobicContact CB-CD2 4Å; A382-F456 HydrophobicContact CB-CE1 3.64Å; A382-F456 HydrophobicContact CB-CE2 3.81Å; A382-F456 HydrophobicContact CB-CG 3.99Å; A382-F456 HydrophobicContact CB-CZ 3.59Å; L448-F456 HydrophobicContact CD1-CD2 4.43Å; L448-F456 HydrophobicContact CD1-CE2 3.91Å; L448-F456 HydrophobicContact CD2-CD2 4.04Å; L448-F456 HydrophobicContact CD2-CE2 4.34Å; A452-F456 WeakPolarHBondContact O-CD2 3.2Å; H453-F456 PolarHBondContact O-N 3.41Å; F456-N458 PolarHBondContact O-N 3.48Å; F456-N458 VanDerWaalsContact O-N 3.12Å; F456-G459 PolarHBondContact O-N 3.36Å; F456-Y461 HydrophobicContact CB-CD1 4.43Å; F456-Y461 HydrophobicContact CB-CE1 3.83Å; F456-Y461 AromaticContact CD1-CD1 3.84Å; F456-Y461 HydrophobicContact CD1-CD1 3.84Å; F456-Y461 AromaticContact CD1-CE1 3.98Å; F456-Y461 HydrophobicContact CD1-CE1 3.98Å; F456-Y461 HydrophobicContact CG-CE1 4.22Å
457D71.2Confident79Confident90 Ų9090.3 Ų90.348%0.48144%0.436SS..THydrogen-bonded Turntrans-51.7-36.7-176.2-58.9-25.4000113.7H453 N454 G459H453-D457 VanDerWaalsContact O-CG 3.29Å; H453-D457 PolarHBondContact O-N 3.04Å; N454-D457 VanDerWaalsContact CA-OD2 3.23Å; N454-D457 WeakPolarHBondContact CA-OD2 3.5Å; N454-D457 PolarHBondContact N-OD2 3.01Å; D457-G459 PolarHBondContact O-N 3.38Å
458N68.4Low78.3Confident148 Ų14889.9 Ų89.979%0.79143%0.431SS*.THydrogen-bonded Turntrans-71.323176.3-59.314.4000113.8F456 S460F456-N458 PolarHBondContact O-N 3.48Å; F456-N458 VanDerWaalsContact O-N 3.12Å; N458-S460 PolarHBondContact O-N 2.88Å
459G69.4Low77.5Confident51 Ų5194 Ų9453%0.52645%0.448SS..SBendtrans63.73.3-175.700000115.5F456 D457 Y461F456-G459 PolarHBondContact O-N 3.36Å; D457-G459 PolarHBondContact O-N 3.38Å; G459-Y461 VanDerWaalsContact O-CD2 3.32Å; G459-Y461 WeakPolarHBondContact O-CD2 3.48Å; G459-Y461 PolarHBondContact O-N 2.83Å
460S71.8Confident76.7Confident62 Ų6293 Ų9343%0.43445%0.445SS..  trans-83.262.9-169.3-152.90000112.7N458 L462N458-S460 PolarHBondContact O-N 2.88Å; S460-L462 PolarHBondContact O-N 3.44Å; S460-L462 VanDerWaalsContact O-N 3.1Å
461Y80.2Confident75.8Confident52 Ų5294.2 Ų94.220%0.20445%0.447CS..  trans-70.96.1173.3-65-71.9000113.7A379 A382 M383 F456 G459A379-Y461 HydrophobicContact CB-CD1 4.34Å; A379-Y461 WeakPolarHBondContact CB-O 3.5Å; A382-Y461 HydrophobicContact CB-CE1 4.35Å; M383-Y461 HydrophobicContact CB-CE1 4.45Å; M383-Y461 HydrophobicContact CG-CD1 3.34Å; M383-Y461 HydrophobicContact CG-CD2 4.19Å; M383-Y461 HydrophobicContact CG-CE1 3.31Å; M383-Y461 HydrophobicContact CG-CE2 4.18Å; M383-Y461 HydrophobicContact CG-CG 3.8Å; M383-Y461 HydrophobicContact SD-CD1 3.92Å; M383-Y461 HydrophobicContact SD-CD2 4.04Å; M383-Y461 HydrophobicContact SD-CE1 4.35Å; M383-Y461 HydrophobicContact SD-CE2 4.48Å; M383-Y461 HydrophobicContact SD-CG 3.74Å; F456-Y461 HydrophobicContact CB-CD1 4.43Å; F456-Y461 HydrophobicContact CB-CE1 3.83Å; F456-Y461 AromaticContact CD1-CD1 3.84Å; F456-Y461 HydrophobicContact CD1-CD1 3.84Å; F456-Y461 AromaticContact CD1-CE1 3.98Å; F456-Y461 HydrophobicContact CD1-CE1 3.98Å; F456-Y461 HydrophobicContact CG-CE1 4.22Å; G459-Y461 VanDerWaalsContact O-CD2 3.32Å; G459-Y461 WeakPolarHBondContact O-CD2 3.48Å; G459-Y461 PolarHBondContact O-N 2.83Å
462L77.1Confident74.7Confident105 Ų10594.1 Ų94.155%0.5545%0.449SS..SBendtrans-73.6171.5173.2-61.5178.5000111.8S460 R464S460-L462 PolarHBondContact O-N 3.44Å; S460-L462 VanDerWaalsContact O-N 3.1Å; L462-R464 PolarHBondContact O-N 2.89Å
463R70Confident73.4Confident226 Ų22695.1 Ų95.185%0.85346%0.456SS*.  trans-67.4103.8-174.9-175.9-175.7176.2-146.11.5112
464R71.1Confident72.2Confident59 Ų5993.8 Ų93.822%0.22345%0.454CS..  trans-60139176.5-65.8-163.8-87.9103.6-19113.1M455 L462 R466M455-R464 VanDerWaalsContact SD-CZ 3.54Å; M455-R464 PolarHBondContact SD-NH2 3.09Å; M455-R464 VanDerWaalsContact SD-NH2 3.45Å; L462-R464 PolarHBondContact O-N 2.89Å; R464-R466 PolarHBondContact NH1-O 3.03Å
465K69.4Low71.4Confident208 Ų20891.4 Ų91.490%0.90444%0.444SS*.SBendtrans-74.1-25.4179.2-69.5-177.5178.1178.30114.5
466R71.7Confident70.7Confident220 Ų22094.9 Ų94.983%0.8346%0.46SS*.SBendtrans-121.1142.1176.4-86.9-176.9159115.7-3.5111.2R464R464-R466 PolarHBondContact NH1-O 3.03Å
467R77.1Confident70.1Confident132 Ų132101.3 Ų101.350%0.49848%0.484SS..  trans-78.7141171.9170.4169.6164.7-179.8-1.6109.5L426 D428L426-R467 PolarHBondContact O-NH2 3.49Å; D428-R467 IonicContact OD1-CZ 3.97Å; D428-R467 IonicContact OD1-NE 2.67Å; D428-R467 IonicContact OD1-NH2 3.09Å; D428-R467 PolarHBondContact OD1-NH2 3.01Å
468F79.4Confident70.2Confident21 Ų21103.1 Ų103.19%0.09249%0.485CS..  trans-74.6142.2170.4-176.8-96.4000109.9D428 C429 H449 E451 A452 M455 T470D428-F468 HydrophobicContact CB-CD1 4.23Å; C429-F468 HydrophobicContact CB-CB 3.97Å; C429-F468 HydrophobicContact CB-CD1 3.54Å; C429-F468 HydrophobicContact CB-CE1 4.24Å; C429-F468 HydrophobicContact CB-CG 3.87Å; H449-F468 HydrophobicContact CB-CE1 4.04Å; H449-F468 HydrophobicContact CB-CZ 4.27Å; H449-F468 AromaticContact ND1-CE1 3.91Å; H449-F468 AromaticContact ND1-CZ 3.49Å; H449-F468 WeakPolarHBondContact ND1-CZ 3.46Å; E451-F468 HydrophobicContact CB-CE2 3.87Å; E451-F468 HydrophobicContact CB-CZ 3.9Å; E451-F468 WeakPolarHBondContact OE2-CZ 3.39Å; A452-F468 HydrophobicContact CB-CD1 4.38Å; A452-F468 HydrophobicContact CB-CD2 4.02Å; A452-F468 HydrophobicContact CB-CE1 4.31Å; A452-F468 HydrophobicContact CB-CE2 3.97Å; A452-F468 HydrophobicContact CB-CG 4.24Å; A452-F468 HydrophobicContact CB-CZ 4.14Å; M455-F468 HydrophobicContact CE-CB 3.99Å; M455-F468 HydrophobicContact CE-CD2 4.16Å; M455-F468 HydrophobicContact SD-CB 3.65Å; M455-F468 HydrophobicContact SD-CD2 3.57Å; M455-F468 VanDerWaalsContact SD-CD2 3.57Å; M455-F468 HydrophobicContact SD-CG 3.93Å; F468-T470 HydrophobicContact CE1-CG2 3.51Å; F468-T470 HydrophobicContact CZ-CG2 3.91Å
469K78.5Confident70.4Confident94 Ų9498.2 Ų98.241%0.40946%0.462SS..  trans-153.4123.8-179.3-177.8-163.9168.4-155.80108.2D428 T473D428-K469 WeakPolarHBondContact OD2-CA 3.09Å; D428-K469 WeakPolarHBondContact OD2-CG 3.12Å; K469-T473 WeakPolarHBondContact CE-OG1 3.33Å; K469-T473 WeakPolarHBondContact CG-OG1 3.23Å
470T75.5Confident70.7Confident14 Ų1499.6 Ų99.69%0.08646%0.463CS..  trans-79.2150.4175.461.50000110.8D428 F468 L472 T473D428-T470 HydrophobicContact CB-CG2 4.5Å; F468-T470 HydrophobicContact CE1-CG2 3.51Å; F468-T470 HydrophobicContact CZ-CG2 3.91Å; T470-L472 PolarHBondContact O-N 3.19Å; T470-T473 PolarHBondContact O-N 3.22Å; T470-T473 PolarHBondContact O-OG1 3.45Å
471D68.9Low70.9Confident121 Ų121102 Ų10265%0.64747%0.469SS*.THydrogen-bonded Turntrans-72.3-10.5175-82.8-49.8000114.1T473 S474 T475D471-T473 PolarHBondContact O-N 2.86Å; D471-S474 WeakPolarHBondContact CA-OG 3.31Å; D471-S474 PolarHBondContact O-N 2.96Å; D471-S474 VanDerWaalsContact O-N 3.08Å; D471-S474 PolarHBondContact O-OG 2.82Å; D471-S474 PolarHBondContact OD1-OG 3.35Å; D471-T475 PolarHBondContact O-N 2.82Å; D471-T475 PolarHBondContact O-OG1 2.9Å
472L62.2Low70.8Confident120 Ų120103.9 Ų103.963%0.62848%0.478SS*.Hα-helixtrans-57.4-40.2161.5-63.8174.5000110.5T470 S474 T475 E476T470-L472 PolarHBondContact O-N 3.19Å; L472-S474 VanDerWaalsContact C-N 3.32Å; L472-S474 PolarHBondContact O-N 3.15Å; L472-T475 CarbonylContact O-C 3.59Å; L472-T475 WeakPolarHBondContact O-CB 3.33Å; L472-T475 PolarHBondContact O-N 2.81Å; L472-E476 WeakPolarHBondContact O-CG 3.26Å; L472-E476 PolarHBondContact O-N 3.12Å
473T58.6Low71.1Confident22 Ų22105.9 Ų105.914%0.13548%0.482CS..Hα-helixtrans-78.8-8.3175.477.10000114.3D428 K469 T470 D471 R477D428-T473 WeakPolarHBondContact OD2-CG2 3.25Å; K469-T473 WeakPolarHBondContact CE-OG1 3.33Å; K469-T473 WeakPolarHBondContact CG-OG1 3.23Å; T470-T473 PolarHBondContact O-N 3.22Å; T470-T473 PolarHBondContact O-OG1 3.45Å; D471-T473 PolarHBondContact O-N 2.86Å; T473-R477 WeakPolarHBondContact O-CB 3.09Å; T473-R477 WeakPolarHBondContact O-CD 2.98Å; T473-R477 WeakPolarHBondContact O-CG 3.4Å; T473-R477 PolarHBondContact O-NE 3.25Å; T473-R477 VanDerWaalsContact O-NE 3.09Å
474S57.5Low71.7Confident43 Ų43102.8 Ų102.830%0.30147%0.471SS..Hα-helixtrans-81.2-39.6163.670.60000109.9D471 L472 R477 Y478D471-S474 WeakPolarHBondContact CA-OG 3.31Å; D471-S474 PolarHBondContact O-N 2.96Å; D471-S474 VanDerWaalsContact O-N 3.08Å; D471-S474 PolarHBondContact O-OG 2.82Å; D471-S474 PolarHBondContact OD1-OG 3.35Å; L472-S474 VanDerWaalsContact C-N 3.32Å; L472-S474 PolarHBondContact O-N 3.15Å; S474-R477 PolarHBondContact O-N 2.7Å; S474-Y478 WeakPolarHBondContact O-CB 3.37Å; S474-Y478 PolarHBondContact O-N 2.89Å
475T64.3Low72.2Confident74 Ų74103.9 Ų103.945%0.45448%0.481SS..Hα-helixtrans-64.7-48.7174.8-53.30000112.8D471 L472 R477 Y478 C479D471-T475 PolarHBondContact O-N 2.82Å; D471-T475 PolarHBondContact O-OG1 2.9Å; L472-T475 CarbonylContact O-C 3.59Å; L472-T475 WeakPolarHBondContact O-CB 3.33Å; L472-T475 PolarHBondContact O-N 2.81Å; T475-R477 VanDerWaalsContact C-N 3.32Å; T475-R477 PolarHBondContact O-N 3.44Å; T475-Y478 CarbonylContact O-C 3.6Å; T475-Y478 WeakPolarHBondContact O-CB 3.12Å; T475-Y478 PolarHBondContact O-N 3.18Å; T475-Y478 VanDerWaalsContact O-N 3.11Å; T475-C479 PolarHBondContact O-N 2.98Å; T475-C479 PolarHBondContact O-SG 2.9Å; T475-C479 VanDerWaalsContact O-SG 3.41Å
476E65.9Low72.9Confident127 Ų12799.1 Ų99.159%0.59346%0.461SS*.Hα-helixtrans-62.2-38.5176.1-72.8180151.100112.3L472 S480L472-E476 WeakPolarHBondContact O-CG 3.26Å; L472-E476 PolarHBondContact O-N 3.12Å; E476-S480 VanDerWaalsContact O-CB 3.26Å; E476-S480 WeakPolarHBondContact O-CB 3.43Å; E476-S480 PolarHBondContact O-N 2.94Å; E476-S480 PolarHBondContact O-OG 3.19Å
477R64Low73.6Confident139 Ų13993.3 Ų93.353%0.52545%0.445SS..Hα-helixtrans-67.2-38173.1-73.7176.5-147.5-1482111.4T473 S474 T475 S480 M481T473-R477 WeakPolarHBondContact O-CB 3.09Å; T473-R477 WeakPolarHBondContact O-CD 2.98Å; T473-R477 WeakPolarHBondContact O-CG 3.4Å; T473-R477 PolarHBondContact O-NE 3.25Å; T473-R477 VanDerWaalsContact O-NE 3.09Å; S474-R477 PolarHBondContact O-N 2.7Å; T475-R477 VanDerWaalsContact C-N 3.32Å; T475-R477 PolarHBondContact O-N 3.44Å; R477-S480 PolarHBondContact O-N 2.88Å; R477-M481 WeakPolarHBondContact O-CB 3.32Å; R477-M481 PolarHBondContact O-N 3.44Å
478Y72.3Confident73.9Confident128 Ų12890.7 Ų90.750%0.50244%0.438SS..Hα-helixtrans-65.8-42.8175.5179.5-102.7000111.7S474 T475 M481 K482S474-Y478 WeakPolarHBondContact O-CB 3.37Å; S474-Y478 PolarHBondContact O-N 2.89Å; T475-Y478 CarbonylContact O-C 3.6Å; T475-Y478 WeakPolarHBondContact O-CB 3.12Å; T475-Y478 PolarHBondContact O-N 3.18Å; T475-Y478 VanDerWaalsContact O-N 3.11Å; Y478-M481 PolarHBondContact O-N 2.85Å; Y478-K482 HydrophobicContact CD1-CD 4.27Å; Y478-K482 HydrophobicContact CE1-CD 3.7Å; Y478-K482 HydrophobicContact CE1-CG 4.47Å; Y478-K482 WeakPolarHBondContact O-CB 3.18Å; Y478-K482 PolarHBondContact O-N 3.41Å; Y478-K482 WeakPolarHBondContact OH-CE 3.41Å; Y478-K482 PolarHBondContact OH-NZ 3.42Å
479C73Confident74.2Confident45 Ų4595.3 Ų95.330%0.30446%0.46SS..Hα-helixtrans-65.7-40.2173-67.60000112.3T475 K482 K483 C619T475-C479 PolarHBondContact O-N 2.98Å; T475-C479 PolarHBondContact O-SG 2.9Å; T475-C479 VanDerWaalsContact O-SG 3.41Å; C479-K482 PolarHBondContact O-N 3.43Å; C479-K483 WeakPolarHBondContact O-CB 2.96Å; C479-K483 PolarHBondContact O-N 2.78Å; C479-C619 VanDerWaalsContact SG-SG 3.66Å
480S75.3Confident74.5Confident79 Ų7994.6 Ų94.655%0.55246%0.461SS*.Hα-helixtrans-66.6-39.1175.3-59.60000112.2E476 R477 K483 R484E476-S480 VanDerWaalsContact O-CB 3.26Å; E476-S480 WeakPolarHBondContact O-CB 3.43Å; E476-S480 PolarHBondContact O-N 2.94Å; E476-S480 PolarHBondContact O-OG 3.19Å; R477-S480 PolarHBondContact O-N 2.88Å; S480-K483 PolarHBondContact O-N 3.49Å; S480-R484 WeakPolarHBondContact O-CB 3.16Å; S480-R484 PolarHBondContact O-N 2.85Å
481M77Confident75.2Confident113 Ų11398.8 Ų98.856%0.55748%0.482SS*.Hα-helixtrans-68.4-45.9175.1-172.9-178-64.800110.6R477 Y478 K483 R484 N485R477-M481 WeakPolarHBondContact O-CB 3.32Å; R477-M481 PolarHBondContact O-N 3.44Å; Y478-M481 PolarHBondContact O-N 2.85Å; M481-K483 VanDerWaalsContact C-N 3.33Å; M481-K483 PolarHBondContact O-N 2.73Å; M481-R484 PolarHBondContact O-N 3.42Å; M481-N485 WeakPolarHBondContact O-CB 3.47Å; M481-N485 PolarHBondContact O-N 2.91Å; M481-N485 PolarHBondContact O-OD1 2.79Å
482K78.9Confident75.9Confident92 Ų9297.9 Ų97.940%0.448%0.475SS..Hα-helixtrans-57.3-43.7170.8-88.9-174.3159.2175.40112.2Y478 C479 N485 F486Y478-K482 HydrophobicContact CD1-CD 4.27Å; Y478-K482 HydrophobicContact CE1-CD 3.7Å; Y478-K482 HydrophobicContact CE1-CG 4.47Å; Y478-K482 WeakPolarHBondContact O-CB 3.18Å; Y478-K482 PolarHBondContact O-N 3.41Å; Y478-K482 WeakPolarHBondContact OH-CE 3.41Å; Y478-K482 PolarHBondContact OH-NZ 3.42Å; C479-K482 PolarHBondContact O-N 3.43Å; K482-N485 PolarHBondContact O-N 3.2Å; K482-F486 VanDerWaalsContact O-CB 3.25Å; K482-F486 WeakPolarHBondContact O-CB 3.4Å; K482-F486 PolarHBondContact O-N 3.11Å
483K83Confident77Confident147 Ų14795 Ų9564%0.63946%0.461SS*.Hα-helixtrans-63.1-41.7176-173.9172.7-178.7175.70111.7C479 S480 M481 I487C479-K483 WeakPolarHBondContact O-CB 2.96Å; C479-K483 PolarHBondContact O-N 2.78Å; S480-K483 PolarHBondContact O-N 3.49Å; M481-K483 VanDerWaalsContact C-N 3.33Å; M481-K483 PolarHBondContact O-N 2.73Å; K483-I487 HydrophobicContact CG-CD1 4.11Å; K483-I487 WeakPolarHBondContact O-CD1 3.43Å; K483-I487 VanDerWaalsContact O-CG1 3.24Å; K483-I487 WeakPolarHBondContact O-CG1 3.4Å; K483-I487 PolarHBondContact O-N 3.4Å
484R82.5Confident78.2Confident161 Ų16196.8 Ų96.861%0.60847%0.474SS*.Hα-helixtrans-63.3-51.5173.8-178.4178.7172.5115.79.7111.3S480 M481 F486 I487 E488S480-R484 WeakPolarHBondContact O-CB 3.16Å; S480-R484 PolarHBondContact O-N 2.85Å; M481-R484 PolarHBondContact O-N 3.42Å; R484-F486 VanDerWaalsContact C-N 3.29Å; R484-F486 PolarHBondContact O-N 3.09Å; R484-I487 CarbonylContact O-C 3.56Å; R484-I487 WeakPolarHBondContact O-CA 3.45Å; R484-I487 WeakPolarHBondContact O-CB 3.26Å; R484-I487 PolarHBondContact O-N 3.45Å; R484-E488 HydrophobicContact CG-CG 4.34Å; R484-E488 IonicContact CZ-OE1 2.69Å; R484-E488 IonicContact NE-OE1 2.73Å; R484-E488 PolarHBondContact NE-OE1 2.88Å; R484-E488 IonicContact NE-OE2 2.79Å; R484-E488 IonicContact NH2-OE1 3.35Å; R484-E488 PolarHBondContact NH2-OE1 2.93Å; R484-E488 PolarHBondContact O-N 3.25Å
485N81.5Confident79.7Confident82 Ų8298.4 Ų98.444%0.43948%0.478SS..Hα-helixtrans-59.9-39.6-179.6-65.717.1000111.2M481 K482 E488 E489M481-N485 WeakPolarHBondContact O-CB 3.47Å; M481-N485 PolarHBondContact O-N 2.91Å; M481-N485 PolarHBondContact O-OD1 2.79Å; K482-N485 PolarHBondContact O-N 3.2Å; N485-E488 PolarHBondContact O-N 3.02Å; N485-E489 VanDerWaalsContact O-CB 3.24Å; N485-E489 WeakPolarHBondContact O-CB 3.49Å; N485-E489 PolarHBondContact O-N 3.22Å
486F84Confident80.7Confident108 Ų108100.3 Ų100.347%0.47448%0.48SS..Hα-helixtrans-65.6-37.1174.3-178.7-104.1000112.4K482 R484 N490K482-F486 VanDerWaalsContact O-CB 3.25Å; K482-F486 WeakPolarHBondContact O-CB 3.4Å; K482-F486 PolarHBondContact O-N 3.11Å; R484-F486 VanDerWaalsContact C-N 3.29Å; R484-F486 PolarHBondContact O-N 3.09Å; F486-N490 VanDerWaalsContact CE1-ND2 3.33Å; F486-N490 WeakPolarHBondContact CE1-ND2 3.27Å; F486-N490 VanDerWaalsContact CE2-ND2 3.31Å; F486-N490 WeakPolarHBondContact CE2-ND2 3.44Å; F486-N490 WeakPolarHBondContact CZ-ND2 3.43Å; F486-N490 WeakPolarHBondContact O-CB 3.44Å; F486-N490 PolarHBondContact O-N 2.89Å; F486-N490 PolarHBondContact O-ND2 2.86Å
487I86.5Confident81.5Confident97 Ų97101.4 Ų101.450%0.49748%0.483SS..Hα-helixtrans-67.7-44.1173.3-69.8163.8000110.6K483 R484 N490 L491K483-I487 HydrophobicContact CG-CD1 4.11Å; K483-I487 WeakPolarHBondContact O-CD1 3.43Å; K483-I487 VanDerWaalsContact O-CG1 3.24Å; K483-I487 WeakPolarHBondContact O-CG1 3.4Å; K483-I487 PolarHBondContact O-N 3.4Å; R484-I487 CarbonylContact O-C 3.56Å; R484-I487 WeakPolarHBondContact O-CA 3.45Å; R484-I487 WeakPolarHBondContact O-CB 3.26Å; R484-I487 PolarHBondContact O-N 3.45Å; I487-N490 PolarHBondContact O-N 3.38Å; I487-L491 VanDerWaalsContact O-CB 3.23Å; I487-L491 WeakPolarHBondContact O-CB 3.44Å; I487-L491 PolarHBondContact O-N 3.46Å
488E83.9Confident82.2Confident77 Ų7798.8 Ų98.836%0.3648%0.48SS..Hα-helixtrans-64.3-42177-72.5176.9164.100112.1R484 N485 L491 M492R484-E488 HydrophobicContact CG-CG 4.34Å; R484-E488 IonicContact CZ-OE1 2.69Å; R484-E488 IonicContact NE-OE1 2.73Å; R484-E488 PolarHBondContact NE-OE1 2.88Å; R484-E488 IonicContact NE-OE2 2.79Å; R484-E488 IonicContact NH2-OE1 3.35Å; R484-E488 PolarHBondContact NH2-OE1 2.93Å; R484-E488 PolarHBondContact O-N 3.25Å; N485-E488 PolarHBondContact O-N 3.02Å; E488-L491 PolarHBondContact O-N 3.1Å; E488-M492 WeakPolarHBondContact O-CB 3.37Å; E488-M492 VanDerWaalsContact O-CG 3.26Å; E488-M492 WeakPolarHBondContact O-CG 3.3Å; E488-M492 PolarHBondContact O-N 3.45Å
489E84.6Confident82.5Confident118 Ų11897.5 Ų97.555%0.55148%0.481SS*.Hα-helixtrans-64.8-45.6176.3-177.1177.9-173.200111.6N485 L491 M492 N493N485-E489 VanDerWaalsContact O-CB 3.24Å; N485-E489 WeakPolarHBondContact O-CB 3.49Å; N485-E489 PolarHBondContact O-N 3.22Å; E489-L491 VanDerWaalsContact C-N 3.35Å; E489-L491 PolarHBondContact O-N 2.98Å; E489-M492 PolarHBondContact O-N 2.86Å; E489-N493 VanDerWaalsContact O-CB 3.26Å; E489-N493 WeakPolarHBondContact O-CB 3.39Å; E489-N493 VanDerWaalsContact O-CG 3.22Å; E489-N493 PolarHBondContact O-N 3.5Å; E489-N493 PolarHBondContact O-ND2 2.82Å
490N85.7Confident82.7Confident80 Ų80101 Ų10143%0.42850%0.496SS..Hα-helixtrans-65.2-37.4175.1-79.2-67.5000112.2F486 I487 N493 S494F486-N490 VanDerWaalsContact CE1-ND2 3.33Å; F486-N490 WeakPolarHBondContact CE1-ND2 3.27Å; F486-N490 VanDerWaalsContact CE2-ND2 3.31Å; F486-N490 WeakPolarHBondContact CE2-ND2 3.44Å; F486-N490 WeakPolarHBondContact CZ-ND2 3.43Å; F486-N490 WeakPolarHBondContact O-CB 3.44Å; F486-N490 PolarHBondContact O-N 2.89Å; F486-N490 PolarHBondContact O-ND2 2.86Å; I487-N490 PolarHBondContact O-N 3.38Å; N490-N493 PolarHBondContact O-N 2.92Å; N490-S494 WeakPolarHBondContact O-CB 3.42Å; N490-S494 PolarHBondContact O-N 3.5Å
491L89.1Confident82.5Confident101 Ų101104.6 Ų104.653%0.52950%0.502SS..Hα-helixtrans-64-48.3174.418061.2000111.1I487 E488 E489 N493 S494 I495I487-L491 VanDerWaalsContact O-CB 3.23Å; I487-L491 WeakPolarHBondContact O-CB 3.44Å; I487-L491 PolarHBondContact O-N 3.46Å; E488-L491 PolarHBondContact O-N 3.1Å; E489-L491 VanDerWaalsContact C-N 3.35Å; E489-L491 PolarHBondContact O-N 2.98Å; L491-N493 VanDerWaalsContact C-N 3.33Å; L491-N493 PolarHBondContact O-N 3.13Å; L491-S494 WeakPolarHBondContact O-CB 3.44Å; L491-S494 PolarHBondContact O-N 3.27Å; L491-I495 HydrophobicContact CD1-CD1 4.2Å; L491-I495 HydrophobicContact CG-CD1 4.01Å; L491-I495 VanDerWaalsContact O-CG1 3.32Å; L491-I495 WeakPolarHBondContact O-CG1 3.44Å; L491-I495 PolarHBondContact O-N 2.8Å
492M84.6Confident81.6Confident102 Ų102103.5 Ų103.550%0.50250%0.498SS..Hα-helixtrans-64.2-36.7176.9-72.3-61.3-71.300112.3E488 E489 I495 K496E488-M492 WeakPolarHBondContact O-CB 3.37Å; E488-M492 VanDerWaalsContact O-CG 3.26Å; E488-M492 WeakPolarHBondContact O-CG 3.3Å; E488-M492 PolarHBondContact O-N 3.45Å; E489-M492 PolarHBondContact O-N 2.86Å; M492-I495 PolarHBondContact O-N 2.89Å; M492-I495 HydrophobicContact SD-CD1 4.32Å; M492-K496 WeakPolarHBondContact O-CB 3.46Å; M492-K496 VanDerWaalsContact O-CG 3.25Å; M492-K496 WeakPolarHBondContact O-CG 3.29Å; M492-K496 PolarHBondContact O-N 3.4Å
493N84Confident80.6Confident61 Ų61104.9 Ų104.933%0.32651%0.51SS..Hα-helixtrans-71.7-31.1174.6-72.8-25.3000112.4E489 N490 L491 K497E489-N493 VanDerWaalsContact O-CB 3.26Å; E489-N493 WeakPolarHBondContact O-CB 3.39Å; E489-N493 VanDerWaalsContact O-CG 3.22Å; E489-N493 PolarHBondContact O-N 3.5Å; E489-N493 PolarHBondContact O-ND2 2.82Å; N490-N493 PolarHBondContact O-N 2.92Å; L491-N493 VanDerWaalsContact C-N 3.33Å; L491-N493 PolarHBondContact O-N 3.13Å; N493-K497 WeakPolarHBondContact O-CB 3.44Å; N493-K497 VanDerWaalsContact O-CG 3.29Å; N493-K497 WeakPolarHBondContact O-CG 3.46Å; N493-K497 PolarHBondContact O-N 2.98Å
494S85.2Confident78.7Confident59 Ų59102.5 Ų102.541%0.41351%0.511SS..Hα-helixtrans-67.5-46.2170.2-171.30000111.5N490 L491 K497 N498N490-S494 WeakPolarHBondContact O-CB 3.42Å; N490-S494 PolarHBondContact O-N 3.5Å; L491-S494 WeakPolarHBondContact O-CB 3.44Å; L491-S494 PolarHBondContact O-N 3.27Å; S494-K497 PolarHBondContact O-N 3.14Å; S494-N498 PolarHBondContact O-N 3.01Å; S494-N498 PolarHBondContact O-ND2 2.97Å
495I87.8Confident77.2Confident76 Ų76104.3 Ų104.339%0.3952%0.517SS..Hα-helixtrans-59.3-49.6174.8-68.3164.6000110.6L491 M492 K497 N498 L499L491-I495 HydrophobicContact CD1-CD1 4.2Å; L491-I495 HydrophobicContact CG-CD1 4.01Å; L491-I495 VanDerWaalsContact O-CG1 3.32Å; L491-I495 WeakPolarHBondContact O-CG1 3.44Å; L491-I495 PolarHBondContact O-N 2.8Å; M492-I495 PolarHBondContact O-N 2.89Å; M492-I495 HydrophobicContact SD-CD1 4.32Å; I495-K497 PolarHBondContact O-N 3.23Å; I495-N498 PolarHBondContact O-N 3.1Å; I495-L499 HydrophobicContact CG2-CD1 3.89Å; I495-L499 HydrophobicContact CG2-CG 4.44Å; I495-L499 WeakPolarHBondContact O-CG 3.49Å; I495-L499 PolarHBondContact O-N 3.2Å
496K85.9Confident75.6Confident115 Ų115106.4 Ų106.450%0.553%0.529SS..Hα-helixtrans-56.5-45.5174.8-75.9172.1-179.3177.70112.2M492 N498 L499 L500M492-K496 WeakPolarHBondContact O-CB 3.46Å; M492-K496 VanDerWaalsContact O-CG 3.25Å; M492-K496 WeakPolarHBondContact O-CG 3.29Å; M492-K496 PolarHBondContact O-N 3.4Å; K496-N498 PolarHBondContact O-N 3.05Å; K496-L499 PolarHBondContact O-N 3.43Å; K496-L500 WeakPolarHBondContact O-CB 3.35Å; K496-L500 WeakPolarHBondContact O-CG 3.32Å; K496-L500 PolarHBondContact O-N 3.11Å
497K82.9Confident73.8Confident149 Ų149106.4 Ų106.465%0.64854%0.542SS*.Hα-helixtrans-62.3-40.4177-80.8177.5178.5179.90112.1N493 S494 I495 K501N493-K497 WeakPolarHBondContact O-CB 3.44Å; N493-K497 VanDerWaalsContact O-CG 3.29Å; N493-K497 WeakPolarHBondContact O-CG 3.46Å; N493-K497 PolarHBondContact O-N 2.98Å; S494-K497 PolarHBondContact O-N 3.14Å; I495-K497 PolarHBondContact O-N 3.23Å; K497-K501 WeakPolarHBondContact O-CB 3.49Å; K497-K501 PolarHBondContact O-N 2.89Å
498N79.2Confident72Confident85 Ų85108.8 Ų108.846%0.45556%0.555SS.*Hα-helixtrans-70.1-40177.7-71.4-29.7000112.3S494 I495 K496 K501 N502S494-N498 PolarHBondContact O-N 3.01Å; S494-N498 PolarHBondContact O-ND2 2.97Å; I495-N498 PolarHBondContact O-N 3.1Å; K496-N498 PolarHBondContact O-N 3.05Å; N498-K501 PolarHBondContact O-N 2.86Å; N498-N502 WeakPolarHBondContact O-CB 3.38Å; N498-N502 PolarHBondContact O-N 3.41Å; N498-N502 PolarHBondContact O-OD1 3.2Å
499L78.1Confident70Confident101 Ų101112.2 Ų112.253%0.52958%0.576SS.*Hα-helixtrans-60.6-48.1173.1-69.9168.3000111.6I495 K496 K501 N502 N503I495-L499 HydrophobicContact CG2-CD1 3.89Å; I495-L499 HydrophobicContact CG2-CG 4.44Å; I495-L499 WeakPolarHBondContact O-CG 3.49Å; I495-L499 PolarHBondContact O-N 3.2Å; K496-L499 PolarHBondContact O-N 3.43Å; L499-K501 VanDerWaalsContact C-N 3.31Å; L499-K501 PolarHBondContact O-N 2.92Å; L499-N502 PolarHBondContact O-N 2.84Å; L499-N503 PolarHBondContact O-N 2.94Å; L499-N503 VanDerWaalsContact O-N 3.09Å; L499-N503 PolarHBondContact O-OD1 3.08Å
500L76.4Confident68Low118 Ų118113.7 Ų113.762%0.61859%0.588SS**Hα-helixtrans-59.5-39.6174.2-77.6162.1000112.5K496 C504K496-L500 WeakPolarHBondContact O-CB 3.35Å; K496-L500 WeakPolarHBondContact O-CG 3.32Å; K496-L500 PolarHBondContact O-N 3.11Å; L500-C504 PolarHBondContact O-N 3.39Å; L500-C504 PolarHBondContact O-SG 2.98Å
501K72Confident65.8Low155 Ų155115.8 Ų115.867%0.67461%0.608SS**Hα-helixtrans-75.4-25.5-178.2-161.8172.4-172-179.40113.3K497 N498 L499K497-K501 WeakPolarHBondContact O-CB 3.49Å; K497-K501 PolarHBondContact O-N 2.89Å; N498-K501 PolarHBondContact O-N 2.86Å; L499-K501 VanDerWaalsContact C-N 3.31Å; L499-K501 PolarHBondContact O-N 2.92Å
502N58.9Low63.4Low89 Ų89122.7 Ų122.748%0.47663%0.627SS.*Hα-helixtrans-75.5-46.5172.2-70-5.5000111N498 L499 C504 R505N498-N502 WeakPolarHBondContact O-CB 3.38Å; N498-N502 PolarHBondContact O-N 3.41Å; N498-N502 PolarHBondContact O-OD1 3.2Å; L499-N502 PolarHBondContact O-N 2.84Å; N502-C504 PolarHBondContact O-N 2.8Å; N502-C504 VanDerWaalsContact O-N 3.15Å; N502-R505 WeakPolarHBondContact O-CB 3.47Å; N502-R505 PolarHBondContact O-N 2.98Å
503N55.8Low61.4Low121 Ų121123.2 Ų123.265%0.64764%0.637SS**Hα-helixtrans-58.4-30.9178.6-70.88.9000113.1L499 R505L499-N503 PolarHBondContact O-N 2.94Å; L499-N503 VanDerWaalsContact O-N 3.09Å; L499-N503 PolarHBondContact O-OD1 3.08Å; N503-R505 VanDerWaalsContact C-N 3.27Å; N503-R505 PolarHBondContact O-N 3.41Å
504C45Very low59Low98 Ų98127.4 Ų127.466%0.66266%0.659SS**Hα-helixtrans-77.7-2.3174.1-68.40000114.8L500 N502L500-C504 PolarHBondContact O-N 3.39Å; L500-C504 PolarHBondContact O-SG 2.98Å; N502-C504 PolarHBondContact O-N 2.8Å; N502-C504 VanDerWaalsContact O-N 3.15Å
505R50.2Low56.6Low198 Ų198132.7 Ų132.775%0.74768%0.682SS**Hα-helixtrans-103.5-28.9-172.8-150170.6-167.8169.12114N502 N503N502-R505 WeakPolarHBondContact O-CB 3.47Å; N502-R505 PolarHBondContact O-N 2.98Å; N503-R505 VanDerWaalsContact C-N 3.27Å; N503-R505 PolarHBondContact O-N 3.41Å
506D48.2Very low54.2Low127 Ų127133.1 Ų133.168%0.67970%0.696SS**Hα-helixtrans-85.1-18.6-178.6-60-36.6000113L508D506-L508 VanDerWaalsContact C-N 3.28Å; D506-L508 PolarHBondContact O-N 3.31Å
507S46.6Very low51.9Low108 Ų108134.9 Ų134.976%0.75571%0.711SS**THydrogen-bonded Turntrans-84.622.4-177-153.80000115
508L46.9Very low49.5Very low146 Ų146132.8 Ų132.876%0.76471%0.71SS**THydrogen-bonded Turntrans-120.85.4-173.8-97.6171.4000115.7D506D506-L508 VanDerWaalsContact C-N 3.28Å; D506-L508 PolarHBondContact O-N 3.31Å
509N43.8Very low47.4Very low149 Ų149136.7 Ų136.780%0.79773%0.731SS**SBendtrans-104.4-8.5-176-77.8-30.2000115.6
510D41Very low45.2Very low150 Ų150135.1 Ų135.180%0.80274%0.739SS**SBendtrans-121.540.5-159.1-152.815.7000115.7
511S40.6Very low43.2Very low123 Ų123137.3 Ų137.386%0.8675%0.75SS**  trans-141.637.6-178.1-610000114.4
512R38.6Very low41.2Very low246 Ų246137 Ų13793%0.92876%0.756SS**  trans-129.128-179.7-101.5-173.9177.7-178.50.3116.5
513T41.9Very low40.2Very low114 Ų114141.5 Ų141.570%0.69977%0.774SS**SBendtrans-139.7116.3170.341.20000113.3
514N34.5Very low39.2Very low148 Ų148141.1 Ų141.179%0.79178%0.776SS**  trans59.898.2144-50.9-31.7000120.7
515L35.4Very low38.5Very low171 Ų171143.8 Ų143.890%0.89578%0.783SS**  -167.7102.7126.8-125.963.3000107.2
516A36.6Very low37.8Very low84 Ų84141.2 Ų141.269%0.69479%0.789SS**  87.5115.258.200000114.1
517L36.4Very low37.1Very low153 Ų153141.8 Ų141.880%0.80179%0.793SS**  trans55.393.3149.7-62.1172000118
518T33.8Very low36.5Very low105 Ų105141.2 Ų141.264%0.64479%0.785SS**  76.5119.790.556.50000116.6
519N34.5Very low35.9Very low167 Ų167141.1 Ų141.189%0.89379%0.785SS**  trans66.9139.5160.5-43-23.5000115.6
520G31.6Very low35.3Very low67 Ų67144.6 Ų144.669%0.69179%0.788SS**  cis150.7161.7-2.200000110.9
521I34.8Very low34.8Very low164 Ų164140 Ų14084%0.84178%0.777SS**  trans77.9102.9173.6-50.4174.6000116.1
522D30.7Very low34.3Very low150 Ų150142 Ų14280%0.80278%0.778SS**  trans-11.9145.3146.2-38.5-43.5000119.6
523E36.5Very low33.9Very low183 Ų183138.1 Ų138.186%0.85578%0.775SS**  trans-147.5108.4144.4-137.8169.3-136.100114.2
524T35.9Very low33.6Very low112 Ų112139.8 Ų139.869%0.68778%0.78SS**  trans55.1121.3150.657.90000123.9
525N30.6Very low33.7Very low154 Ų154138.9 Ų138.982%0.82478%0.775SS**  trans49.5114.7131.8-64.1-19.4000121.7
526V35.1Very low33.3Very low144 Ų144141 Ų14187%0.87377%0.773SS**  trans-123.4140.3137.4178.60000108.6T528V526-T528 PolarHBondContact O-N 2.82Å
527N32.8Very low33.1Very low140 Ų140140.4 Ų140.475%0.74978%0.775SS**  trans-55.2122.8-177.9-96.5-0.4000112.3
528T34.4Very low32.7Very low96 Ų96139.2 Ų139.259%0.58977%0.77SS**  59131.292.869.50000116.5V526V526-T528 PolarHBondContact O-N 2.82Å
529N33.7Very low32.6Very low143 Ų143143 Ų14377%0.76578%0.78SS**  trans76.5150.4165.7-55.4-19.8000116.9
530Y31.9Very low32.2Very low222 Ų222144.3 Ų144.387%0.87177%0.772SS**  cis177.3129.7-36.6-135-76.1000105
531G30.2Very low32Very low54 Ų54146.7 Ų146.756%0.55777%0.774SS**  trans56.699.8168.500000116
532D31.3Very low31.7Very low165 Ų165144.8 Ų144.888%0.88276%0.762SS**  59.459.983.5-58-48000114
533D30.1Very low31.7Very low164 Ų164147.9 Ų147.988%0.87776%0.763SS**  trans-168.995.2151.6-105.6-26.5000111.6
534D34.3Very low31.6Very low150 Ų150144.3 Ų144.380%0.80276%0.757SS**  trans-168.1143.8174.9-105.9-36.2000108.1
535N36.8Very low31.4Very low129 Ų129144.5 Ų144.569%0.6975%0.754SS**  cis-156.1129.3-16.3-148.8-53.6000104
536Y27.5Very low31.7Very low214 Ų214145.1 Ų145.184%0.83976%0.758SS**  51.8143.172.8-102.5-87.8000115.9
537G31.4Very low31.7Very low73 Ų73144.2 Ų144.275%0.75375%0.748SS**  trans105.388.6-16800000112.2
538N28.3Very low31.9Very low128 Ų128144.6 Ų144.668%0.68475%0.75SS**  cis77.572.326.1-171.440.8000116.3
539E32Very low32Very low184 Ų184147.2 Ų147.286%0.8676%0.76SS**  trans-147.1130.5147.6-103.1168.1-159.900105.9
540R27.3Very low32.2Very low194 Ų194144.1 Ų144.173%0.73275%0.75SS**  cis68112.628.5-146.3-173-169.5172.66.5109.6
541T27.2Very low32.2Very low117 Ų117140.3 Ų140.372%0.71874%0.744SS**  cis-138.4-174.930.658.10000110.8
542E28.4Very low32.4Very low125 Ų125144.6 Ų144.658%0.58475%0.754SS**  cis-163.5179.6-46.8-94.4145.2-159.300108.2
543Y30.4Very low32.6Very low215 Ų215141 Ų14184%0.84374%0.742SS**  trans75.2124.8176.6-59.5-77.2000118.6
544C34.4Very low33Very low107 Ų107138.4 Ų138.472%0.72373%0.728SS**  cis-153.3170.8-10.2-146.30000112.3
545N31.6Very low33.1Very low117 Ų117136.6 Ų136.663%0.62671%0.713SS**  trans-83.1173.5-174.7-48.1-47.3000113.2
546D37.4Very low33.2Very low167 Ų167133.8 Ų133.889%0.89370%0.698SS**  -150.5156103.3-88-30.3000110
547N34.5Very low33.9Very low125 Ų125127.1 Ų127.167%0.66867%0.673SS**  trans-115.1179-164.2-68.2-62.1000113.7
548D36.8Very low34.3Very low148 Ų148130 Ų13079%0.79167%0.671SS**  trans142.798.6138.4-70.8-0.9000109.5
549D36.9Very low34.6Very low151 Ų151130 Ų13081%0.80767%0.67SS**  87.4142.681.5-99.38.6000114.4
550S37Very low35Very low78 Ų78126.8 Ų126.855%0.54566%0.663SS.*  cis-166.1154-31.262.60000111.6
551N33Very low35.4Very low141 Ų141126.7 Ų126.775%0.75467%0.668SS**  trans64.5157.7151.2-63.2-38.5000120.6
552L34Very low35.7Very low145 Ų145128.7 Ų128.776%0.75967%0.673SS**  cis-154.6153.4-1-148.275.5000113.9
553S34.9Very low36Very low89 Ų89127.9 Ų127.962%0.62268%0.677SS**  trans-8.7168156.877.60000124.2
554D39.5Very low36.1Very low109 Ų109125.3 Ų125.358%0.58368%0.678SS**  cis-174.7166.413.6-135.7-18.2000118.7
555K36.4Very low36Very low113 Ų113123.7 Ų123.749%0.49168%0.68SS.*  trans59.2167.7151.5-71.1-174.1-17873.40122.7V643K555-V643 VanDerWaalsContact O-CB 3.3Å; K555-V643 WeakPolarHBondContact O-CB 3.34Å; K555-V643 WeakPolarHBondContact O-CG1 3.17Å
556D37.9Very low36.1Very low70 Ų70127.3 Ų127.337%0.37469%0.692SS.*  cis-169.6166.5-28.1-105-40.7000107.8N640 F641D556-N640 PolarHBondContact OD1-ND2 2.82Å; D556-F641 VanDerWaalsContact N-CD1 3.26Å
557K43.1Very low35.7Very low74 Ų74127.8 Ų127.832%0.32269%0.693SS.*  cis-164.1168.7-26.2-159162.8-172151.80111.7S639 N640 F641K557-S639 PolarHBondContact NZ-O 3.46Å; K557-S639 VanDerWaalsContact NZ-O 3.13Å; K557-N640 WeakPolarHBondContact CD-OD1 3.44Å; K557-N640 WeakPolarHBondContact CE-OD1 3.37Å; K557-N640 PolarHBondContact NZ-ND2 2.83Å; K557-N640 PolarHBondContact NZ-OD1 3.06Å; K557-F641 VanDerWaalsContact CA-CZ 3.47Å; K557-F641 HydrophobicContact CB-CE2 4.28Å; K557-F641 HydrophobicContact CG-CD2 4.34Å; K557-F641 HydrophobicContact CG-CE2 4.16Å
558N38.8Very low35.4Very low133 Ų133127.2 Ų127.271%0.71170%0.699SS**  trans106.9134.9160.8-54.8-39.9000118.9
559I35.9Very low35.1Very low128 Ų128125.4 Ų125.466%0.65670%0.698SS**  cis97.7135.623.4-63.9166.9000112.4
560T39.2Very low34.9Very low116 Ų116127.7 Ų127.771%0.71270%0.701SS**  cis-148.2146.426.11.30000111.6
561K35.8Very low34.3Very low192 Ų192128.3 Ų128.384%0.83571%0.705SS**  67.3140.589.4-72.8-169174.4-168.70121.4
562L33.5Very low34Very low159 Ų159127.4 Ų127.483%0.83270%0.7SS**  trans175.4110.2144-88.7166.1000107.7
563T35.3Very low33.6Very low108 Ų108130.9 Ų130.966%0.66371%0.705SS**  61.9141.779.963.30000116.7
564D32.6Very low33.2Very low161 Ų161131.9 Ų131.986%0.86171%0.712SS**  cis-173.6165.1-23-116.1-54.9000109.6
565G32.8Very low32.6Very low74 Ų74133.5 Ų133.576%0.76372%0.72SS**  trans173.4133.4171.200000117.7
566Q32.1Very low32.1Very low192 Ų192135.1 Ų135.190%0.89773%0.734SS**  trans-127.7144.9-172.5-56.9174.2-37.600113.8
567I29.9Very low31.5Very low178 Ų178137.3 Ų137.391%0.91376%0.755SS**  trans-144.3149.6151.2-60.9-173.2000108.5
568S27.4Very low30.8Very low112 Ų112139.2 Ų139.278%0.78377%0.773SS**  trans-141.3153.3-178.8740000113.8
569S31.9Very low30.3Very low110 Ų110137.6 Ų137.677%0.76977%0.768SS**  trans-168108.515954.30000116.1
570K30.7Very low29.8Very low200 Ų200141.1 Ų141.187%0.8778%0.779SS**  trans51101.9134.7-67.2-176.4177.1-179.80122.8
571S25.2Very low29.2Very low91 Ų91141 Ų14164%0.63677%0.77SS**  48129.2117.364.80000123.1
572N26.3Very low28.9Very low122 Ų122137.8 Ų137.865%0.65277%0.766SS**  170.2139.1111.1-89.6-17.4000115.3
573Y25.9Very low28.6Very low217 Ų217135.3 Ų135.385%0.85176%0.762SS**  trans59.4161.6165.2-47.7-56.1000116.9
574S27.3Very low28.3Very low111 Ų111136.9 Ų136.978%0.77677%0.767SS**  cis-147.7175.2-11-172.80000109.2
575L26Very low28.1Very low143 Ų143137.7 Ų137.775%0.74977%0.765SS**  trans-55.5147.4152.2-98.164.8000109.6
576D26.5Very low27.9Very low146 Ų146143.3 Ų143.378%0.78177%0.769SS**  -160.1-173.270.1-107.6-44.9000114.8
577S25.2Very low27.7Very low117 Ų117142.2 Ų142.282%0.81877%0.766SS**  trans-99.7127.3-176.2-55.30000113.4
578T28.6Very low27.5Very low114 Ų114142.9 Ų142.970%0.69977%0.765SS**  trans-129.3118174.351.80000113.8
579T27.8Very low27.5Very low98 Ų98143.2 Ų143.260%0.60176%0.762SS**  trans9.2121.9140.9-46.80000118.5Q581T579-Q581 HydrophobicContact CG2-CG 4.04Å
580F26.9Very low27.3Very low203 Ų203143.6 Ų143.689%0.8976%0.756SS**  trans-97.9101.5155.6-87.6-83.1000110.1
581Q26.5Very low27.4Very low114 Ų114141.3 Ų141.353%0.53375%0.752SS.*  trans-78.8132.1160.1-78.9162.2-65.100109T579T579-Q581 HydrophobicContact CG2-CG 4.04Å
582T28.2Very low27.5Very low123 Ų123143.3 Ų143.376%0.75576%0.755SS**  trans-105.899.416754.20000109N584T582-N584 PolarHBondContact O-N 3.45Å
583S28.2Very low27.5Very low107 Ų107141.3 Ų141.375%0.74876%0.756SS**  trans-68.8115.3169.339.70000109.8E585S583-E585 VanDerWaalsContact C-N 3.31Å; S583-E585 PolarHBondContact O-N 2.87Å; S583-E585 VanDerWaalsContact O-N 3.11Å
584N28.6Very low27.5Very low142 Ų142136.1 Ų136.176%0.75975%0.751SS**  trans-83.673.3173.1-79.8-17000110.4T582 F586T582-N584 PolarHBondContact O-N 3.45Å; N584-F586 PolarHBondContact O-N 2.89Å
585E28.3Very low27.5Very low177 Ų177136.9 Ų136.983%0.82775%0.751SS**  trans-82.391.6162.7-72.3-164.9135.600109.9S583S583-E585 VanDerWaalsContact C-N 3.31Å; S583-E585 PolarHBondContact O-N 2.87Å; S583-E585 VanDerWaalsContact O-N 3.11Å
586F29.3Very low27.7Very low192 Ų192137.2 Ų137.284%0.84276%0.759SS**  trans-84.3105.8161-98.3-92.8000108.8N584 E588N584-F586 PolarHBondContact O-N 2.89Å; F586-E588 PolarHBondContact O-N 2.98Å
587M27Very low27.8Very low170 Ų170134.5 Ų134.584%0.83776%0.757SS**  trans-70.9117.4162.3-78.9-167.7179.700109.6V589M587-V589 HydrophobicContact CB-CG2 4.44Å; M587-V589 PolarHBondContact O-N 3.01Å; M587-V589 VanDerWaalsContact O-N 3.12Å
588E25.8Very low27.9Very low191 Ų191133.5 Ų133.589%0.89376%0.755SS**  trans-7296163.1-67.8-176.4139.100109.5F586 N590F586-E588 PolarHBondContact O-N 2.98Å; E588-N590 PolarHBondContact O-N 3.12Å
589V28Very low28Very low119 Ų119134.4 Ų134.472%0.72176%0.761SS**  trans-84.290.7168.8-177.90000108.7M587M587-V589 HydrophobicContact CB-CG2 4.44Å; M587-V589 PolarHBondContact O-N 3.01Å; M587-V589 VanDerWaalsContact O-N 3.12Å
590N27.1Very low28Very low119 Ų119134.1 Ų134.164%0.63676%0.763SS**  trans-73.7120.4179.2-169.3-16.4000110.8E588E588-N590 PolarHBondContact O-N 3.12Å
591I32Very low28.1Very low152 Ų152130.9 Ų130.978%0.77976%0.755SS**  trans-107.697178.9-58.8179.3000109.2
592N27.9Very low28.1Very low132 Ų132131 Ų13171%0.70676%0.764SS**  trans-89.1126.8177.2-95.6-47.4000112.4
593A26.3Very low28.1Very low81 Ų81133 Ų13367%0.66977%0.768SS**  trans49.2135.2138.400000122.1
594S26.8Very low28Very low107 Ų107133.8 Ų133.875%0.74877%0.769SS**  trans72.2148.7147.1-60.80000117.9
595T27.3Very low27.9Very low127 Ų127135 Ų13578%0.77977%0.77SS**  cis-161.8137.3-9.4150000108.7
596V30.3Very low27.7Very low150 Ų150131.7 Ų131.791%0.90976%0.762SS**  trans-139.3142.2151.7-175.90000107.1
597A26.8Very low27.8Very low89 Ų89130.4 Ų130.474%0.73676%0.762SS**  trans-119.7-179.7-175.700000111.5
598A29.2Very low27.8Very low96 Ų96131.5 Ų131.579%0.79376%0.762SS**  trans71.4133.3-178.500000114.9
599T30.7Very low27.9Very low134 Ų134128.3 Ų128.382%0.82276%0.756SS**  cis-143.5160.6-4.440.60000112
600S27.5Very low27.9Very low92 Ų92128.4 Ų128.464%0.64376%0.759SS**  trans-12.3152.4140.4-83.10000118.5
601D28.1Very low28.1Very low134 Ų134127.2 Ų127.272%0.71776%0.76SS**  cis-153.7165.412.6-105.5-23.1000114.6
602T27.1Very low28Very low117 Ų117125.4 Ų125.472%0.71876%0.761SS**  trans37.6114.9154.760.20000120.9
603I28.5Very low28.1Very low164 Ų164123 Ų12384%0.84176%0.759SS**  -171.6144.1100.9-96.5164.8000111.3
604T25.2Very low28.4Very low125 Ų125129.7 Ų129.777%0.76777%0.768SS**  trans-77.4127.9175.7-150000111.5
605E26.2Very low28.7Very low166 Ų166129.9 Ų129.978%0.77676%0.761SS**  170.5151.7108.6-99.9-167.8-152.500115.6
606T25.4Very low29Very low109 Ų109129 Ų12967%0.66976%0.758SS**  trans42.2101.6142.4-48.80000120.2
607I30.6Very low29.2Very low164 Ų164127.7 Ų127.784%0.84175%0.745SS**  -163.8142.9120.5-99.9152.7000110.6
608K27.2Very low29.6Very low193 Ų193131.4 Ų131.484%0.83975%0.751SS**  trans-101.4115.3-175.6-69.5174.6177.9173.90112.7
609T27.7Very low29.7Very low125 Ų125131.1 Ų131.177%0.76774%0.743SS**  trans63.9162.1166.573.50000115.3
610P28.6Very low29.7Very low120 Ų120131 Ų13178%0.77974%0.737SS**  -144.8154.988.638.5-22.8000116.5
611S30.3Very low30Very low95 Ų95134.7 Ų134.766%0.66474%0.744SS**  trans51.9102.9141.3-1610000120.4A613S611-A613 VanDerWaalsContact C-N 3.28Å; S611-A613 PolarHBondContact O-N 2.88Å
612S29.5Very low30Very low114 Ų114140.1 Ų140.180%0.79775%0.754SS**  trans-72.682.8148.3440000110.1Y614S612-Y614 VanDerWaalsContact C-N 3.31Å; S612-Y614 PolarHBondContact O-N 3.3Å
613A31.5Very low30.2Very low80 Ų80142.8 Ų142.866%0.66176%0.758SS**  trans-68.378.8-176.500000113.2S611 N615S611-A613 VanDerWaalsContact C-N 3.28Å; S611-A613 PolarHBondContact O-N 2.88Å; A613-N615 PolarHBondContact O-N 3.01Å
614Y31.9Very low30.3Very low222 Ų222141.8 Ų141.887%0.87176%0.759SS**  trans-67.5101.2173.2-110.6-89000110.4S612 P616S612-Y614 VanDerWaalsContact C-N 3.31Å; S612-Y614 PolarHBondContact O-N 3.3Å; Y614-P616 WeakPolarHBondContact O-CD 3.41Å
615N34.2Very low30.5Very low111 Ų111141.8 Ų141.859%0.59476%0.759SS**  trans-85.7113.3-169.1-162.7-20.1000111.1A613 L617A613-N615 PolarHBondContact O-N 3.01Å; N615-L617 PolarHBondContact O-N 2.94Å
616P32Very low30.5Very low109 Ų109138.4 Ų138.471%0.70876%0.76SS**G310 helixtrans-69.7-3.9-169.5-21.835000116.2Y614 L618Y614-P616 WeakPolarHBondContact O-CD 3.41Å; P616-L618 VanDerWaalsContact C-N 3.34Å; P616-L618 PolarHBondContact O-N 3.48Å
617L34.6Very low30.6Very low122 Ų122141 Ų14164%0.63976%0.764SS**G310 helixtrans-73.3-12.3-165.2-73.6169.9000116N615 C619N615-L617 PolarHBondContact O-N 2.94Å; L617-C619 PolarHBondContact O-N 2.86Å
618L36.6Very low30.5Very low167 Ų167138.4 Ų138.487%0.87476%0.76SS**G310 helixtrans-70.2-8.7176.8-99.279.5000114.4P616P616-L618 VanDerWaalsContact C-N 3.34Å; P616-L618 PolarHBondContact O-N 3.48Å
619C30.5Very low30.7Very low90 Ų90136.4 Ų136.461%0.60876%0.759SS**G310 helixtrans-89.56.7-177.4-155.10000114.9C479 L617C479-C619 VanDerWaalsContact SG-SG 3.66Å; L617-C619 PolarHBondContact O-N 2.86Å
620L30.6Very low30.7Very low133 Ų133138.7 Ų138.770%0.69677%0.765SS**SBendtrans-128.3-0.8-175.5-94.1162.7000115.7R622L620-R622 PolarHBondContact O-N 3.16Å
621Q33.9Very low30.9Very low169 Ų169139.7 Ų139.779%0.7976%0.764SS**  trans-92.367.3-170.6-162.974.74.900113.8
622R28.1Very low30.8Very low248 Ų248141.2 Ų141.294%0.93677%0.765SS**  trans172.391.2151.4-98.8165.1-169.8-144.23.6113L620L620-R622 PolarHBondContact O-N 3.16Å
623Q31.3Very low30.7Very low172 Ų172143.3 Ų143.380%0.80477%0.767SS**  trans-161.999.6146.1-115.6177.63.500109.6
624V30.6Very low30.7Very low143 Ų143144.5 Ų144.587%0.86777%0.771SS**  trans-124.2114.9159.7177.80000107
625V29.9Very low30.4Very low125 Ų125141.1 Ų141.176%0.75877%0.767SS**  trans-17.2126174.1-175.20000116.1H627V625-H627 HydrophobicContact CG1-CB 4.02Å
626A25.2Very low30.1Very low96 Ų96142.2 Ų142.279%0.79377%0.771SS**  trans-117.488.9156.200000108.6
627H27.4Very low29.9Very low163 Ų163144.8 Ų144.876%0.75577%0.771SS**  trans-15990.6177.2-105.6-72.2000110.9V625V625-H627 HydrophobicContact CG1-CB 4.02Å
628S29.1Very low29.4Very low109 Ų109145.6 Ų145.676%0.76277%0.774SS**  trans-169.488.7154.342.80000110.9
629D31.6Very low29Very low151 Ų151141.8 Ų141.881%0.80776%0.761SS**  trans40117.2133-47.3-45.1000120.2N631D629-N631 PolarHBondContact O-N 2.91Å
630L28.3Very low28.8Very low173 Ų173142.1 Ų142.191%0.90676%0.757SS**  trans-67.8112.9160.1-72.2124.3000110.6
631N31.1Very low28.6Very low141 Ų141140 Ų14075%0.75474%0.742SS**  trans-161.9119.9143.9-106.1-33.8000114.6D629D629-N631 PolarHBondContact O-N 2.91Å
632N29.8Very low28.4Very low127 Ų127138.2 Ų138.268%0.67974%0.742SS**  trans40.2111.9138.9-56.6-26.7000121.7
633N27.3Very low28.4Very low158 Ų158130.4 Ų130.485%0.84572%0.722SS**  61.961122.7-57.7-15000121.4
634S31.5Very low28.2Very low106 Ų106125.8 Ų125.874%0.74171%0.709SS**  trans-158.6116.6139.750.10000109.8
635L25.3Very low28.1Very low151 Ų151125.3 Ų125.379%0.79170%0.701SS**  61.8129.877.6-81.5166.8000114.9
636I27.1Very low27.9Very low134 Ų134126.7 Ų126.769%0.68770%0.699SS**  trans74130.2150.5-76.3162.9000115.6
637K27.7Very low28Very low162 Ų162125.9 Ų125.970%0.70469%0.688SS**  cis-157.1160.42.9-108.7164.6-166.7169.50111.5
638M25.6Very low27.9Very low140 Ų140128 Ų12869%0.6969%0.691SS**  trans23.9135.3150.8-58-177.5-75.400121.5
639S26.3Very low27.9Very low86 Ų86130.2 Ų130.260%0.60169%0.693SS**  cis84.9100.927.2860000118.3K557K557-S639 PolarHBondContact NZ-O 3.46Å; K557-S639 VanDerWaalsContact NZ-O 3.13Å
640N28.2Very low27.6Very low98 Ų98128.1 Ų128.152%0.52468%0.682SS.*  trans173156.9153.4-100.19.1000113.3D556 K557D556-N640 PolarHBondContact OD1-ND2 2.82Å; K557-N640 WeakPolarHBondContact CD-OD1 3.44Å; K557-N640 WeakPolarHBondContact CE-OD1 3.37Å; K557-N640 PolarHBondContact NZ-ND2 2.83Å; K557-N640 PolarHBondContact NZ-OD1 3.06Å
641F26.3Very low27.6Very low89 Ų89129 Ų12939%0.3968%0.679SS.*  cis-158.6168.7-24-155.7-103.5000113D556 K557 V643D556-F641 VanDerWaalsContact N-CD1 3.26Å; K557-F641 VanDerWaalsContact CA-CZ 3.47Å; K557-F641 HydrophobicContact CB-CE2 4.28Å; K557-F641 HydrophobicContact CG-CD2 4.34Å; K557-F641 HydrophobicContact CG-CE2 4.16Å; F641-V643 HydrophobicContact CD1-CB 4.35Å; F641-V643 HydrophobicContact CE1-CB 3.89Å; F641-V643 HydrophobicContact CE1-CG2 3.77Å
642V27.9Very low27.2Very low130 Ų130128.5 Ų128.579%0.78868%0.676SS**  trans-145.7126176.7174.60000111.8
643V28.9Very low27.1Very low85 Ų85129.3 Ų129.352%0.51569%0.686SS.*  trans-174.4156.5171.61310000107.8K555 F641K555-V643 VanDerWaalsContact O-CB 3.3Å; K555-V643 WeakPolarHBondContact O-CB 3.34Å; K555-V643 WeakPolarHBondContact O-CG1 3.17Å; F641-V643 HydrophobicContact CD1-CB 4.35Å; F641-V643 HydrophobicContact CE1-CB 3.89Å; F641-V643 HydrophobicContact CE1-CG2 3.77Å
644S27.5Very low27.2Very low75 Ų75127.4 Ų127.452%0.52468%0.682SS.*  cis-165.9166.8-27.369.70000110.9
645N28.2Very low27.1Very low132 Ų132130.2 Ų130.271%0.70669%0.687SS**  -173.8118.3123.8-89.4-24.7000108.6
646Q26.7Very low27.1Very low154 Ų154131.8 Ų131.872%0.7269%0.688SS**  63.9135.293-62.5-174.833.900112.9
647S27Very low27.3Very low80 Ų80135.5 Ų135.556%0.55969%0.694SS**  cis-161.215732.2-32.40000113.7
648Y25.2Very low27.4Very low208 Ų208135.2 Ų135.282%0.81669%0.693SS**  trans62.6145.2153.4-56.9-50.9000119.3
649L29.6Very low27.5Very low154 Ų154134 Ų13481%0.80669%0.69SS**  cis-142.2174.65.2-124.4162.2000111.2
650N24.6Very low27.6Very low108 Ų108137.1 Ų137.158%0.57870%0.695SS**  trans-104.4163.5-166.2-169.92.7000112
651F28.2Very low27.7Very low192 Ų192140.6 Ų140.684%0.84271%0.706SS**  179.3131.1123-93.3-60.8000113.3
652N23.4Very low27.7Very low130 Ų130145.4 Ų145.470%0.69572%0.721SS**  trans-89.4155.4171.4-63.6-63.5000111.7
653T27.8Very low27.7Very low143 Ų143146.9 Ų146.988%0.87772%0.719SS**  -176.3150.2120.820.50000113.4
654P29.2Very low27.7Very low119 Ų119146.4 Ų146.477%0.77373%0.732SS**  trans-113.3158178.340.1-31.8000114.6
655I29.3Very low27.7Very low165 Ų165149.9 Ų149.985%0.84674%0.744SS**  trans-136.5149.1171-62.7-176.5000111.2
656K25.3Very low27.9Very low183 Ų183149.2 Ų149.280%0.79675%0.745SS**  trans-115.6149.7-178.8-55.2170.2177.31770112.2
657Y30.5Very low28Very low212 Ų212152.4 Ų152.483%0.83175%0.751SS**  trans-145.5118.7142.1-78.9-82.4000106.6
658K30Very low28Very low156 Ų156154.1 Ų154.168%0.67875%0.753SS**  67.1103.867.3-77.3-169.6144.8-81.80112.1
659D27.8Very low28.2Very low115 Ų115155.5 Ų155.562%0.61576%0.759SS**  99.2148.393.5-69.4-12.1000109.2
660E27.9Very low28Very low152 Ų152157.9 Ų157.971%0.7176%0.759SS**  cis-163.6-1786.4-127.3177.3-171.900110.2
661F29.5Very low28.2Very low171 Ų171158.6 Ų158.675%0.7577%0.772SS**  trans67.8151.9171.3-65.9-91.2000120
662R27.4Very low28.2Very low189 Ų189154.8 Ų154.871%0.71377%0.769SS**  cis-170.7139.3-47.2-121-170.9-171.4-137.115.1111.4
663Q27.8Very low28.5Very low161 Ų161151.6 Ų151.675%0.75277%0.767SS**  trans40.4124.1142.9-66170.2-28.900122.2
664G28.1Very low28.8Very low75 Ų75150.8 Ų150.877%0.77376%0.762SS**  trans144.979.2159.600000114.7
665N28.2Very low29Very low148 Ų148151.8 Ų151.879%0.79176%0.759SS**  76.8134.268.5-15313.2000114.9
666T31.3Very low29.2Very low119 Ų119147.4 Ų147.473%0.7374%0.743SS**  trans66.2151.5170.759.60000119.8
667R29.4Very low29.9Very low221 Ų221146.6 Ų146.683%0.83474%0.74SS**  cis-168.1151.6-22.7-177.6175-161.31632.4109.8
668N26.7Very low30.2Very low115 Ų115143.3 Ų143.362%0.61573%0.732SS**  trans-28.6139.5179.6-47.4-4.5000118Y670N668-Y670 HydrophobicContact CB-CD2 4.45Å
669Y30Very low30.6Very low238 Ų238138.7 Ų138.793%0.93372%0.719SS**  trans-127124.6135.4-96.2-84.1000110
670Y25.8Very low31.2Very low204 Ų204137.4 Ų137.480%0.871%0.712SS**  trans-84.1149.2169.5-80.5-105.9000109.7N668N668-Y670 HydrophobicContact CB-CD2 4.45Å
671S29.1Very low31.6Very low122 Ų122135.6 Ų135.685%0.85371%0.705SS**  -148.4149.4127.2-156.80000110.3
672S27.8Very low32.3Very low113 Ų113133 Ų13379%0.7970%0.698SS**  trans-91157-172.4-167.70000112.1
673G29.5Very low33.2Very low63 Ų63129.7 Ų129.765%0.64969%0.689SS**  trans173.3-22.7171.400000118.6
674V33.6Very low33.9Very low126 Ų126125.1 Ų125.176%0.76467%0.674SS**SBendtrans-112.4-14.9-164.8-169.70000114.7S676V674-S676 PolarHBondContact O-N 2.96Å
675I33.2Very low34.5Very low139 Ų139126.1 Ų126.171%0.71366%0.662SS**SBendtrans-75-20.4-164.4-65.8175.8000114.6
676S34.2Very low35.1Very low74 Ų74123.9 Ų123.952%0.51765%0.65SS.*Hα-helixtrans-63-49-178.3480000113.4V674 Q678 S679 D680V674-S676 PolarHBondContact O-N 2.96Å; S676-Q678 VanDerWaalsContact C-N 3.26Å; S676-Q678 PolarHBondContact O-N 3.31Å; S676-Q678 VanDerWaalsContact O-N 3.12Å; S676-S679 WeakPolarHBondContact O-CB 3.19Å; S676-S679 PolarHBondContact O-N 3.18Å; S676-D680 PolarHBondContact O-N 3.48Å
677K40.1Very low35.8Very low165 Ų165123.7 Ų123.772%0.71764%0.64SS**Hα-helixtrans-64.2-22.7-170.3-69.7-170.2174.5-173.40115.1M681K677-M681 PolarHBondContact O-N 3.12Å
678Q37.3Very low36.2Very low143 Ų143116 Ų11667%0.66862%0.62SS**Hα-helixtrans-78.7-35.5171.4-83.8-177.9-38.500112.4S676 D680 I682S676-Q678 VanDerWaalsContact C-N 3.26Å; S676-Q678 PolarHBondContact O-N 3.31Å; S676-Q678 VanDerWaalsContact O-N 3.12Å; Q678-D680 VanDerWaalsContact C-N 3.31Å; Q678-D680 PolarHBondContact O-N 3.09Å; Q678-I682 VanDerWaalsContact O-CG1 3.29Å; Q678-I682 WeakPolarHBondContact O-CG1 3.33Å; Q678-I682 PolarHBondContact O-N 2.93Å
679S37.8Very low36.7Very low59 Ų59115.3 Ų115.341%0.41361%0.612SS.*Hα-helixtrans-63.8-37.9175.5-1750000111.9S676 K683S676-S679 WeakPolarHBondContact O-CB 3.19Å; S676-S679 PolarHBondContact O-N 3.18Å; S679-K683 WeakPolarHBondContact O-CG 3.38Å; S679-K683 PolarHBondContact O-N 3.41Å
680D39.5Very low37.3Very low88 Ų88109.6 Ų109.647%0.47159%0.594SS.*Hα-helixtrans-74.4-37.3-177.3-59.2-35.3000111.6S676 Q678 K683 S684S676-D680 PolarHBondContact O-N 3.48Å; Q678-D680 VanDerWaalsContact C-N 3.31Å; Q678-D680 PolarHBondContact O-N 3.09Å; D680-K683 PolarHBondContact O-N 2.89Å; D680-S684 PolarHBondContact O-N 3.05Å; D680-S684 PolarHBondContact O-OG 3.08Å
681M36.8Very low38.2Very low115 Ų115105.2 Ų105.257%0.56758%0.584SS**Hα-helixtrans-62.9-41.9170.9-115.4-175.2-65.200112.6K677 K683 S684 L685K677-M681 PolarHBondContact O-N 3.12Å; M681-K683 VanDerWaalsContact C-N 3.34Å; M681-S684 PolarHBondContact O-N 2.95Å; M681-S684 PolarHBondContact O-OG 2.83Å; M681-L685 WeakPolarHBondContact O-CB 3.44Å; M681-L685 WeakPolarHBondContact O-CG 3.38Å; M681-L685 PolarHBondContact O-N 3.48Å
682I45.5Very low38.8Very low116 Ų116102.9 Ų102.960%0.59556%0.563SS**Hα-helixtrans-66.2-38.8177-69.8168.2000110.4Q678 N686Q678-I682 VanDerWaalsContact O-CG1 3.29Å; Q678-I682 WeakPolarHBondContact O-CG1 3.33Å; Q678-I682 PolarHBondContact O-N 2.93Å; I682-N686 WeakPolarHBondContact O-CB 3.44Å; I682-N686 PolarHBondContact O-N 2.95Å
683K45.2Very low39.6Very low120 Ų120102.1 Ų102.152%0.52255%0.546SS..Hα-helixtrans-62.7-50.3172.3-79.5-179.9176.2179.60112.4S679 D680 M681 L685 N686 E687S679-K683 WeakPolarHBondContact O-CG 3.38Å; S679-K683 PolarHBondContact O-N 3.41Å; D680-K683 PolarHBondContact O-N 2.89Å; M681-K683 VanDerWaalsContact C-N 3.34Å; K683-L685 VanDerWaalsContact C-N 3.26Å; K683-L685 PolarHBondContact O-N 3.19Å; K683-N686 PolarHBondContact O-N 2.9Å; K683-E687 WeakPolarHBondContact O-CB 3.32Å; K683-E687 WeakPolarHBondContact O-CG 3.28Å; K683-E687 PolarHBondContact O-N 3Å
684S42.4Very low40.6Very low64 Ų64103.9 Ų103.945%0.44855%0.545SS..Hα-helixtrans-63.1-33.8-179.563.40000112.4D680 M681 S688D680-S684 PolarHBondContact O-N 3.05Å; D680-S684 PolarHBondContact O-OG 3.08Å; M681-S684 PolarHBondContact O-N 2.95Å; M681-S684 PolarHBondContact O-OG 2.83Å; S684-S688 WeakPolarHBondContact O-CB 3.34Å; S684-S688 PolarHBondContact O-N 3.36Å
685L41.4Very low41.4Very low97 Ų97102.4 Ų102.451%0.50853%0.529SS..Hα-helixtrans-65.4-46.9170.7-80.4164.8000111.6M681 K683 E687 S688 F689M681-L685 WeakPolarHBondContact O-CB 3.44Å; M681-L685 WeakPolarHBondContact O-CG 3.38Å; M681-L685 PolarHBondContact O-N 3.48Å; K683-L685 VanDerWaalsContact C-N 3.26Å; K683-L685 PolarHBondContact O-N 3.19Å; L685-E687 VanDerWaalsContact C-N 3.34Å; L685-E687 PolarHBondContact O-N 3.12Å; L685-S688 WeakPolarHBondContact O-CB 3.42Å; L685-S688 PolarHBondContact O-N 3.24Å; L685-S688 VanDerWaalsContact O-N 3.16Å; L685-F689 WeakPolarHBondContact O-CD2 2.98Å; L685-F689 PolarHBondContact O-N 3.44Å
686N41.1Very low41.9Very low101 Ų10198.4 Ų98.454%0.5451%0.514SS..Hα-helixtrans-66.3-36.6-179.3-14546.3000112.2I682 K683 F689 Q690I682-N686 WeakPolarHBondContact O-CB 3.44Å; I682-N686 PolarHBondContact O-N 2.95Å; K683-N686 PolarHBondContact O-N 2.9Å; N686-F689 PolarHBondContact O-N 2.89Å; N686-Q690 WeakPolarHBondContact O-CG 3.43Å; N686-Q690 PolarHBondContact O-N 2.96Å
687E44.8Very low42.5Very low114 Ų11499.2 Ų99.253%0.53351%0.512SS..Hα-helixtrans-67.5-38.1171.3-72168.4-165.800111.4K683 L685 Q690 N691K683-E687 WeakPolarHBondContact O-CB 3.32Å; K683-E687 WeakPolarHBondContact O-CG 3.28Å; K683-E687 PolarHBondContact O-N 3Å; L685-E687 VanDerWaalsContact C-N 3.34Å; L685-E687 PolarHBondContact O-N 3.12Å; E687-Q690 PolarHBondContact O-N 2.81Å; E687-N691 WeakPolarHBondContact O-CB 3.35Å; E687-N691 VanDerWaalsContact O-CG 3.29Å; E687-N691 PolarHBondContact O-N 3.14Å; E687-N691 PolarHBondContact O-ND2 3.07Å
688S39.2Very low43.1Very low59 Ų5994 Ų9441%0.41350%0.499SS..Hα-helixtrans-61.8-47.4171.3-165.40000111.8S684 L685 Q690 N691 D692S684-S688 WeakPolarHBondContact O-CB 3.34Å; S684-S688 PolarHBondContact O-N 3.36Å; L685-S688 WeakPolarHBondContact O-CB 3.42Å; L685-S688 PolarHBondContact O-N 3.24Å; L685-S688 VanDerWaalsContact O-N 3.16Å; S688-Q690 PolarHBondContact O-N 3.17Å; S688-N691 PolarHBondContact O-N 3.37Å; S688-D692 PolarHBondContact O-N 3.26Å
689F36.6Very low43.7Very low101 Ų10193.7 Ų93.744%0.44349%0.492SS..Hα-helixtrans-62.3-39.3177.4-82.6-69.1000112.3L685 N686 D692 E693L685-F689 WeakPolarHBondContact O-CD2 2.98Å; L685-F689 PolarHBondContact O-N 3.44Å; N686-F689 PolarHBondContact O-N 2.89Å; F689-D692 PolarHBondContact O-N 3.44Å; F689-E693 WeakPolarHBondContact O-CB 3.38Å; F689-E693 PolarHBondContact O-N 3.37Å
690Q42.4Very low44.1Very low119 Ų11995 Ų9556%0.55650%0.495SS*.Hα-helixtrans-68.2-37.6174.3-75.4-170-9.100112.6N686 E687 S688 E693 V694N686-Q690 WeakPolarHBondContact O-CG 3.43Å; N686-Q690 PolarHBondContact O-N 2.96Å; E687-Q690 PolarHBondContact O-N 2.81Å; S688-Q690 PolarHBondContact O-N 3.17Å; Q690-E693 PolarHBondContact O-N 3.18Å; Q690-V694 WeakPolarHBondContact O-CB 3.41Å; Q690-V694 VanDerWaalsContact O-CG2 3.3Å; Q690-V694 WeakPolarHBondContact O-CG2 3.37Å; Q690-V694 PolarHBondContact O-N 3.2Å
691N44.4Very low44.6Very low111 Ų11193.8 Ų93.859%0.59449%0.493SS*.Hα-helixtrans-66.3-42174.4-74.9-47.5000111.9E687 S688 E693 V694 E695E687-N691 WeakPolarHBondContact O-CB 3.35Å; E687-N691 VanDerWaalsContact O-CG 3.29Å; E687-N691 PolarHBondContact O-N 3.14Å; E687-N691 PolarHBondContact O-ND2 3.07Å; S688-N691 PolarHBondContact O-N 3.37Å; N691-E693 VanDerWaalsContact C-N 3.34Å; N691-E693 PolarHBondContact O-N 3.33Å; N691-V694 PolarHBondContact O-N 2.85Å; N691-E695 PolarHBondContact O-N 3.36Å
692D41.6Very low45.4Very low74 Ų7494.1 Ų94.140%0.39649%0.493SS..Hα-helixtrans-62.1-39.5173-80.4-26.6000111.9S688 F689 E695 S696S688-D692 PolarHBondContact O-N 3.26Å; F689-D692 PolarHBondContact O-N 3.44Å; D692-E695 PolarHBondContact O-N 3.34Å; D692-S696 WeakPolarHBondContact O-CB 3.38Å; D692-S696 PolarHBondContact O-N 3.34Å
693E46.1Very low45.5Very low96 Ų9693.6 Ų93.645%0.44949%0.491SS..Hα-helixtrans-70.1-37.2176.7-174.3162.1-123.700112.1F689 Q690 N691 N697F689-E693 WeakPolarHBondContact O-CB 3.38Å; F689-E693 PolarHBondContact O-N 3.37Å; Q690-E693 PolarHBondContact O-N 3.18Å; N691-E693 VanDerWaalsContact C-N 3.34Å; N691-E693 PolarHBondContact O-N 3.33Å; E693-N697 VanDerWaalsContact O-CB 3.29Å; E693-N697 WeakPolarHBondContact O-CB 3.23Å; E693-N697 VanDerWaalsContact O-CG 3.32Å; E693-N697 PolarHBondContact O-N 3.04Å; E693-N697 PolarHBondContact O-ND2 2.96Å
694V50.2Low45.7Very low101 Ų10193 Ų9361%0.61249%0.49SS*.Hα-helixtrans-66.8-42.7172.1169.70000111.2Q690 N691 N697 A698Q690-V694 WeakPolarHBondContact O-CB 3.41Å; Q690-V694 VanDerWaalsContact O-CG2 3.3Å; Q690-V694 WeakPolarHBondContact O-CG2 3.37Å; Q690-V694 PolarHBondContact O-N 3.2Å; N691-V694 PolarHBondContact O-N 2.85Å; V694-N697 PolarHBondContact O-N 3.04Å; V694-A698 WeakPolarHBondContact O-CB 3.43Å; V694-A698 PolarHBondContact O-N 2.76Å
695E49.3Very low46.2Very low95 Ų9595.9 Ų95.944%0.44450%0.496SS..Hα-helixtrans-70.3-35.7177.2-152.4-164.3-172.800111.9N691 D692 A698 R699N691-E695 PolarHBondContact O-N 3.36Å; D692-E695 PolarHBondContact O-N 3.34Å; E695-A698 PolarHBondContact O-N 3.31Å; E695-R699 WeakPolarHBondContact O-CB 3.47Å; E695-R699 VanDerWaalsContact O-CG 3.32Å; E695-R699 WeakPolarHBondContact O-CG 3.42Å; E695-R699 PolarHBondContact O-N 3.34Å; E695-R699 IonicContact OE1-CZ 3.97Å; E695-R699 IonicContact OE1-NH1 3.37Å; E695-R699 IonicContact OE1-NH2 3.14Å; E695-R699 PolarHBondContact OE1-NH2 3.19Å; E695-R699 IonicContact OE2-CZ 3.78Å; E695-R699 IonicContact OE2-NH1 2.91Å; E695-R699 PolarHBondContact OE2-NH1 2.9Å; E695-R699 IonicContact OE2-NH2 3.87Å; E695-R699 PolarHBondContact OE2-NH2 3.44Å
696S43.2Very low46.5Very low55 Ų5594 Ų9439%0.38549%0.488SS..Hα-helixtrans-60.1-48170.4179.50000111.2D692 A698 R699 N700D692-S696 WeakPolarHBondContact O-CB 3.38Å; D692-S696 PolarHBondContact O-N 3.34Å; S696-A698 PolarHBondContact O-N 3.11Å; S696-R699 PolarHBondContact O-N 3.29Å; S696-N700 WeakPolarHBondContact O-CB 3.45Å; S696-N700 VanDerWaalsContact O-CG 3.31Å; S696-N700 PolarHBondContact O-N 2.75Å; S696-N700 PolarHBondContact O-ND2 3.35Å
697N48.6Very low46.6Very low91 Ų9192 Ų9249%0.48748%0.48SS..Hα-helixtrans-68.2-33.2177.2-76.5-47.8000112.7E693 V694 S701E693-N697 VanDerWaalsContact O-CB 3.29Å; E693-N697 WeakPolarHBondContact O-CB 3.23Å; E693-N697 VanDerWaalsContact O-CG 3.32Å; E693-N697 PolarHBondContact O-N 3.04Å; E693-N697 PolarHBondContact O-ND2 2.96Å; V694-N697 PolarHBondContact O-N 3.04Å; N697-S701 WeakPolarHBondContact O-CB 3.48Å; N697-S701 PolarHBondContact O-N 2.89Å
698A51.8Low46.8Very low54 Ų5491 Ų9145%0.44648%0.478SS..Hα-helixtrans-66.1-43.6170.800000111.9V694 E695 S696 S701 H702V694-A698 WeakPolarHBondContact O-CB 3.43Å; V694-A698 PolarHBondContact O-N 2.76Å; E695-A698 PolarHBondContact O-N 3.31Å; S696-A698 PolarHBondContact O-N 3.11Å; A698-S701 PolarHBondContact O-N 2.87Å; A698-H702 WeakPolarHBondContact O-CB 3.4Å; A698-H702 PolarHBondContact O-N 2.9Å
699R48.9Very low47.1Very low138 Ų13890.9 Ų90.952%0.52148%0.478SS..Hα-helixtrans-62.6-43.2173.7-75.5178.2-179.3120.24.7112E695 S696 H702 L703E695-R699 WeakPolarHBondContact O-CB 3.47Å; E695-R699 VanDerWaalsContact O-CG 3.32Å; E695-R699 WeakPolarHBondContact O-CG 3.42Å; E695-R699 PolarHBondContact O-N 3.34Å; E695-R699 IonicContact OE1-CZ 3.97Å; E695-R699 IonicContact OE1-NH1 3.37Å; E695-R699 IonicContact OE1-NH2 3.14Å; E695-R699 PolarHBondContact OE1-NH2 3.19Å; E695-R699 IonicContact OE2-CZ 3.78Å; E695-R699 IonicContact OE2-NH1 2.91Å; E695-R699 PolarHBondContact OE2-NH1 2.9Å; E695-R699 IonicContact OE2-NH2 3.87Å; E695-R699 PolarHBondContact OE2-NH2 3.44Å; S696-R699 PolarHBondContact O-N 3.29Å; R699-H702 PolarHBondContact O-N 3.11Å; R699-L703 WeakPolarHBondContact O-CB 3.41Å; R699-L703 PolarHBondContact O-N 3.25Å
700N46.8Very low47.2Very low87 Ų8790.3 Ų90.347%0.46548%0.478SS..Hα-helixtrans-66.2-40.3175.8-72.9-33.8000111.9S696 L703 Q704S696-N700 WeakPolarHBondContact O-CB 3.45Å; S696-N700 VanDerWaalsContact O-CG 3.31Å; S696-N700 PolarHBondContact O-N 2.75Å; S696-N700 PolarHBondContact O-ND2 3.35Å; N700-L703 PolarHBondContact O-N 3.44Å; N700-Q704 WeakPolarHBondContact O-CB 3.36Å; N700-Q704 PolarHBondContact O-N 3.02Å
701S49.9Very low46.9Very low61 Ų6192.1 Ų92.143%0.42748%0.481SS..Hα-helixtrans-61.7-45.1173.2-172.30000111.5N697 A698 Q704 Q705N697-S701 WeakPolarHBondContact O-CB 3.48Å; N697-S701 PolarHBondContact O-N 2.89Å; A698-S701 PolarHBondContact O-N 2.87Å; S701-Q704 PolarHBondContact O-N 2.97Å; S701-Q705 WeakPolarHBondContact O-CB 3.41Å; S701-Q705 WeakPolarHBondContact O-CG 3.22Å; S701-Q705 PolarHBondContact O-N 2.76Å
702H54.1Low46.9Very low123 Ų12389.8 Ų89.857%0.56948%0.478SS*.Hα-helixtrans-68.4-36177.1-170.146.7000112.5A698 R699 Q705 T706A698-H702 WeakPolarHBondContact O-CB 3.4Å; A698-H702 PolarHBondContact O-N 2.9Å; R699-H702 PolarHBondContact O-N 3.11Å; H702-Q705 PolarHBondContact O-N 3.07Å; H702-T706 WeakPolarHBondContact O-CB 3.3Å; H702-T706 PolarHBondContact O-N 3.13Å; H702-T706 PolarHBondContact O-OG1 3.12Å
703L48.2Very low46.8Very low105 Ų10590.5 Ų90.555%0.5548%0.481SS..Hα-helixtrans-63.6-40.7169.8-92159.8000112.2R699 N700 T706 T707R699-L703 WeakPolarHBondContact O-CB 3.41Å; R699-L703 PolarHBondContact O-N 3.25Å; N700-L703 PolarHBondContact O-N 3.44Å; L703-T706 PolarHBondContact O-N 2.98Å; L703-T707 VanDerWaalsContact O-CB 3.28Å; L703-T707 WeakPolarHBondContact O-CB 3.34Å; L703-T707 PolarHBondContact O-N 3.39Å; L703-T707 PolarHBondContact O-OG1 3.27Å
704Q49.4Very low46.6Very low108 Ų10892.4 Ų92.451%0.50549%0.49SS..Hα-helixtrans-67.5-44.4175.6-169.167.964.700111.2N700 S701 T706 T707 N708N700-Q704 WeakPolarHBondContact O-CB 3.36Å; N700-Q704 PolarHBondContact O-N 3.02Å; S701-Q704 PolarHBondContact O-N 2.97Å; Q704-T706 VanDerWaalsContact C-N 3.35Å; Q704-T706 PolarHBondContact O-N 2.94Å; Q704-T707 PolarHBondContact O-N 3.04Å; Q704-N708 PolarHBondContact NE2-OD1 3.06Å; Q704-N708 VanDerWaalsContact O-CB 3.3Å; Q704-N708 WeakPolarHBondContact O-CB 3.41Å; Q704-N708 PolarHBondContact O-N 3.45Å; Q704-N708 PolarHBondContact O-OD1 3.45Å; Q704-N708 VanDerWaalsContact O-OD1 3.1Å
705Q51.5Low45.7Very low123 Ų12392.5 Ų92.558%0.57549%0.494SS*.Hα-helixtrans-62-40.9173.5-73.2178.52.800111.9S701 H702 S709S701-Q705 WeakPolarHBondContact O-CB 3.41Å; S701-Q705 WeakPolarHBondContact O-CG 3.22Å; S701-Q705 PolarHBondContact O-N 2.76Å; H702-Q705 PolarHBondContact O-N 3.07Å; Q705-S709 WeakPolarHBondContact O-CB 3.29Å; Q705-S709 PolarHBondContact O-N 2.91Å
706T48.7Very low44.7Very low57 Ų5795.5 Ų95.535%0.3551%0.508SS..Hα-helixtrans-67.6-39.9176.6-58.70000111.2H702 L703 Q704 S709 I710H702-T706 WeakPolarHBondContact O-CB 3.3Å; H702-T706 PolarHBondContact O-N 3.13Å; H702-T706 PolarHBondContact O-OG1 3.12Å; L703-T706 PolarHBondContact O-N 2.98Å; Q704-T706 VanDerWaalsContact C-N 3.35Å; Q704-T706 PolarHBondContact O-N 2.94Å; T706-S709 WeakPolarHBondContact O-CB 3.33Å; T706-S709 PolarHBondContact O-N 3.08Å; T706-I710 HydrophobicContact CG2-CD1 4.04Å; T706-I710 VanDerWaalsContact O-CG1 3.25Å; T706-I710 WeakPolarHBondContact O-CG1 3.38Å; T706-I710 PolarHBondContact O-N 3.38Å
707T43.9Very low44Very low60 Ų60103 Ų10337%0.36853%0.53SS..Hα-helixtrans-67.1-45.4176-57.10000111.1L703 Q704 S709 I710 Y711L703-T707 VanDerWaalsContact O-CB 3.28Å; L703-T707 WeakPolarHBondContact O-CB 3.34Å; L703-T707 PolarHBondContact O-N 3.39Å; L703-T707 PolarHBondContact O-OG1 3.27Å; Q704-T707 PolarHBondContact O-N 3.04Å; T707-S709 VanDerWaalsContact C-N 3.29Å; T707-S709 PolarHBondContact O-N 3.23Å; T707-I710 PolarHBondContact O-N 2.78Å; T707-Y711 HydrophobicContact CG2-CD2 4.19Å; T707-Y711 HydrophobicContact CG2-CE2 4.4Å; T707-Y711 PolarHBondContact O-N 3.2Å
708N47.3Very low43.1Very low92 Ų92107.1 Ų107.149%0.49255%0.546SS..Hα-helixtrans-63.9-35.9175.1-67.510.3000111.3Q704 A712Q704-N708 PolarHBondContact NE2-OD1 3.06Å; Q704-N708 VanDerWaalsContact O-CB 3.3Å; Q704-N708 WeakPolarHBondContact O-CB 3.41Å; Q704-N708 PolarHBondContact O-N 3.45Å; Q704-N708 PolarHBondContact O-OD1 3.45Å; Q704-N708 VanDerWaalsContact O-OD1 3.1Å; N708-A712 VanDerWaalsContact O-CB 3.25Å; N708-A712 WeakPolarHBondContact O-CB 3.03Å; N708-A712 PolarHBondContact O-N 2.9Å
709S45.4Very low41.9Very low57 Ų57111.8 Ų111.840%0.39956%0.561SS.*Hα-helixtrans-65-44.1172.2176.20000111.7Q705 T706 T707 A712 N713Q705-S709 WeakPolarHBondContact O-CB 3.29Å; Q705-S709 PolarHBondContact O-N 2.91Å; T706-S709 WeakPolarHBondContact O-CB 3.33Å; T706-S709 PolarHBondContact O-N 3.08Å; T707-S709 VanDerWaalsContact C-N 3.29Å; T707-S709 PolarHBondContact O-N 3.23Å; S709-A712 PolarHBondContact O-N 3.06Å; S709-N713 VanDerWaalsContact O-CB 3.32Å; S709-N713 WeakPolarHBondContact O-CB 3.3Å; S709-N713 PolarHBondContact O-N 2.77Å; S709-N713 PolarHBondContact O-ND2 3.35Å; S709-N713 PolarHBondContact OG-ND2 3.12Å
710I39.2Very low41Very low89 Ų89110.1 Ų110.146%0.45657%0.569SS.*Hα-helixtrans-61.4-45.5175.8-71.4162.7000110.5T706 T707 N713 Q714T706-I710 HydrophobicContact CG2-CD1 4.04Å; T706-I710 VanDerWaalsContact O-CG1 3.25Å; T706-I710 WeakPolarHBondContact O-CG1 3.38Å; T706-I710 PolarHBondContact O-N 3.38Å; T707-I710 PolarHBondContact O-N 2.78Å; I710-N713 PolarHBondContact O-N 3.05Å; I710-Q714 WeakPolarHBondContact O-CB 3.25Å; I710-Q714 WeakPolarHBondContact O-CG 2.95Å; I710-Q714 PolarHBondContact O-N 3.13Å
711Y35.7Very low40Very low157 Ų157115.1 Ų115.162%0.61659%0.589SS**Hα-helixtrans-63-47.1175-94.3-87.4000112.6T707 N713 Q714 C715T707-Y711 HydrophobicContact CG2-CD2 4.19Å; T707-Y711 HydrophobicContact CG2-CE2 4.4Å; T707-Y711 PolarHBondContact O-N 3.2Å; Y711-N713 VanDerWaalsContact C-N 3.33Å; Y711-N713 PolarHBondContact O-N 2.72Å; Y711-Q714 PolarHBondContact O-N 3.2Å; Y711-Q714 VanDerWaalsContact O-N 3.08Å; Y711-C715 PolarHBondContact O-N 3.24Å; Y711-C715 VanDerWaalsContact O-N 3.14Å; Y711-C715 PolarHBondContact O-SG 2.93Å
712A44.5Very low39.1Very low63 Ų63120.9 Ų120.952%0.52161%0.609SS.*Hα-helixtrans-60.9-40.8178.600000112.3N708 S709 Q714 C715N708-A712 VanDerWaalsContact O-CB 3.25Å; N708-A712 WeakPolarHBondContact O-CB 3.03Å; N708-A712 PolarHBondContact O-N 2.9Å; S709-A712 PolarHBondContact O-N 3.06Å; A712-Q714 VanDerWaalsContact C-N 3.31Å; A712-Q714 PolarHBondContact O-N 2.8Å; A712-C715 PolarHBondContact O-N 3.07Å
713N39.7Very low38.1Very low89 Ų89122.5 Ų122.548%0.47662%0.621SS.*Hα-helixtrans-75.3-14.7176.3-73.7-73.2000113.6S709 I710 Y711S709-N713 VanDerWaalsContact O-CB 3.32Å; S709-N713 WeakPolarHBondContact O-CB 3.3Å; S709-N713 PolarHBondContact O-N 2.77Å; S709-N713 PolarHBondContact O-ND2 3.35Å; S709-N713 PolarHBondContact OG-ND2 3.12Å; I710-N713 PolarHBondContact O-N 3.05Å; Y711-N713 VanDerWaalsContact C-N 3.33Å; Y711-N713 PolarHBondContact O-N 2.72Å
714Q42.6Very low37.4Very low135 Ų135126 Ų12663%0.63163%0.634SS**Hα-helixtrans-87.7-16.8171.2-77.9-178.9-30.900113I710 Y711 A712I710-Q714 WeakPolarHBondContact O-CB 3.25Å; I710-Q714 WeakPolarHBondContact O-CG 2.95Å; I710-Q714 PolarHBondContact O-N 3.13Å; Y711-Q714 PolarHBondContact O-N 3.2Å; Y711-Q714 VanDerWaalsContact O-N 3.08Å; A712-Q714 VanDerWaalsContact C-N 3.31Å; A712-Q714 PolarHBondContact O-N 2.8Å
715C30.2Very low36.4Very low104 Ų104129.1 Ų129.170%0.70365%0.649SS**SBendtrans-93.411.9177.6-670000114.7Y711 A712Y711-C715 PolarHBondContact O-N 3.24Å; Y711-C715 VanDerWaalsContact O-N 3.14Å; Y711-C715 PolarHBondContact O-SG 2.93Å; A712-C715 PolarHBondContact O-N 3.07Å
716Q29.3Very low35.5Very low157 Ų157131.3 Ų131.373%0.73467%0.665SS**  trans-105.980.1172.2-74.5-167.5-26.100112
717Y28.5Very low34.7Very low214 Ų214136.3 Ų136.384%0.83968%0.682SS**  trans-121.5145157.1-92.1-83.8000110.3I719Y717-I719 PolarHBondContact O-N 3.08Å
718H29.5Very low34Very low176 Ų176139.5 Ų139.582%0.81570%0.695SS**  trans-38.9125.8-171.8-103.4-72.6000115.4
719I26.3Very low33.1Very low152 Ų152145.8 Ų145.878%0.77971%0.714SS**  trans-96.9114.5145.8-60.2175.5000106.3Y717Y717-I719 PolarHBondContact O-N 3.08Å
720P29.9Very low32.4Very low104 Ų104148.6 Ų148.668%0.67572%0.724SS**  trans-76.2130.1168.9-1632000110.8H722P720-H722 PolarHBondContact O-N 3.37Å; P720-H722 VanDerWaalsContact O-N 3.1Å
721E27.2Very low31.9Very low191 Ų191151.6 Ų151.689%0.89374%0.741SS**SBendtrans-7397.2175.7-69.4-179101.500111.8
722H29.6Very low31.7Very low182 Ų182149.3 Ų149.384%0.84375%0.747SS**  trans-171.1100.7141.7-124.1-101.2000112.2P720P720-H722 PolarHBondContact O-N 3.37Å; P720-H722 VanDerWaalsContact O-N 3.1Å
723L32.9Very low30.9Very low157 Ų157151.6 Ų151.682%0.82276%0.76SS**SBendtrans-177.2138146.5-102.9156.9000111.6
724Q33.2Very low30.3Very low178 Ų178152.9 Ų152.983%0.83278%0.775SS**  trans59.473.9163.9-54.9-170.29.100118.4
725Q29.6Very low29.6Very low174 Ų174151.6 Ų151.681%0.81378%0.782SS**  trans-76.1130138.9-72.6-1733.900109.4
726N32.8Very low29.5Very low170 Ų170154.5 Ų154.591%0.90979%0.787SS**  trans-147.8150.3154.6-120.6-25000109.5
727K32Very low29.5Very low161 Ų161153.8 Ų153.870%0.779%0.788SS**  trans-116.2136.9-151-83.6179.3175.5174.20116.1
728I28.3Very low29.4Very low127 Ų127148.7 Ų148.765%0.65178%0.779SS**  trans58.2114.4133.6-56167.4000118.5
729Y29.3Very low29.4Very low224 Ų224148.3 Ų148.388%0.87878%0.777SS**  -158.2141.9129.1-79.4-69.8000107.2
730D29.7Very low29.6Very low117 Ų117147.1 Ų147.163%0.62677%0.772SS**  cis-163.4-175.4-22.7-150.5-23.2000109.3
731L29.6Very low29.6Very low152 Ų152148.1 Ų148.180%0.79677%0.771SS**  trans45.596.3153.9-63166.1000116.9
732S30.2Very low29.8Very low108 Ų108145 Ų14576%0.75576%0.761SS**  -171.312673.2540000114.8
733S27.9Very low29.8Very low112 Ų112144.1 Ų144.178%0.78376%0.757SS**  trans37.6102.3155.558.50000118.6
734S27.8Very low29.8Very low115 Ų115145 Ų14580%0.80476%0.757SS**  -159.9136.984.442.40000114.9
735S28Very low29.6Very low109 Ų109143.6 Ų143.676%0.76275%0.75SS**  trans51.9100.2154.3-59.50000121.9
736M27.2Very low29.6Very low165 Ų165144 Ų14481%0.81375%0.749SS**  trans80.2106.6131.3-62.6-171.4-178.800121.4
737N29.5Very low29.5Very low141 Ų141141.2 Ų141.275%0.75474%0.743SS**  trans86137.6132.3-60.1-13.4000120.7
738V27.2Very low29.3Very low107 Ų107142.4 Ų142.465%0.64875%0.748SS**  cis167.6140.6-46151.70000108.8
739Q29.2Very low29.3Very low168 Ų168144.6 Ų144.679%0.78576%0.756SS**  trans66.9161.6164.2-80.1167.6-23.400117.5
740L30.6Very low29.3Very low127 Ų127138.2 Ų138.267%0.66574%0.74SS**  cis-147.5131.6-6.1-104.8150.7000106.8
741N30.2Very low29.2Very low125 Ų125141.9 Ų141.967%0.66875%0.751SS**  71.4126.298.5-8327.5000120
742N30.4Very low29Very low127 Ų127141.1 Ų141.168%0.67975%0.746SS**  trans76.3146.2132.7-604.4000123.2
743E30.7Very low28.7Very low163 Ų163142.1 Ų142.176%0.76275%0.748SS**  trans65138.1166.7-37.7-157.5-175.500115.7
744H32.9Very low28.8Very low176 Ų176142.7 Ų142.782%0.81575%0.747SS**  cis-113.61566.3-65.5-102.8000110.4
745H29Very low28.8Very low148 Ų148144.9 Ų144.969%0.68575%0.745SS**  cis79.4111.78.6-158.463.8000118.5
746K29.2Very low28.7Very low183 Ų183146.4 Ų146.480%0.79674%0.743SS**  trans72.682.2176.3-59.8178.2-177.81760118
747S31.2Very low28.7Very low111 Ų111145.6 Ų145.678%0.77674%0.742SS**SBendtrans-157.5149.5135.6-153.40000111.6
748F27.7Very low28.7Very low186 Ų186143.1 Ų143.182%0.81674%0.741SS**  trans43.672.2172-86.4-92.7000118.7
749Q27.8Very low28.7Very low173 Ų173146.8 Ų146.881%0.80875%0.752SS**  trans-101.8107.8141.8-104.5-72.97.800107.9
750T29.3Very low28.8Very low89 Ų89143.4 Ų143.455%0.54675%0.752SS.*  trans-152.4143.9171.4-29.20000109.3
751F27.1Very low28.8Very low195 Ų195142 Ų14286%0.85575%0.753SS**  trans6955.9177.1-70.7-78000117.8
752I25.8Very low29Very low136 Ų136143.6 Ų143.670%0.69776%0.756SS**SBendtrans-117.2143.8131.4-70.1-178.3000107.3
753T25.1Very low29Very low129 Ų129143.8 Ų143.879%0.79176%0.757SS**  trans48.298171.151.60000119.2
754T28.5Very low29.1Very low123 Ų123143 Ų14376%0.75576%0.757SS**  -151.2128.8120.7390000105.9
755E27.8Very low28.8Very low162 Ų162138.7 Ų138.776%0.75775%0.746SS**  66.988.558.3-157.8159.3-139.800109.1
756L26.8Very low28.9Very low140 Ų140139 Ų13973%0.73375%0.753SS**  88.4150.9100.6-83.4-178.1000113
757D25.9Very low28.8Very low148 Ų148137.1 Ų137.179%0.79175%0.752SS**  trans68.9153.8165.4-55-25.4000120.4
758A29.8Very low28.8Very low89 Ų89138.7 Ų138.774%0.73675%0.751SS**  trans65.2133.9166.800000120.4
759E28.2Very low28.6Very low185 Ų185134.9 Ų134.986%0.86475%0.746SS**  cis-170.4153.2-28.7-128.6167.4-157.600109.8
760A29.9Very low28.5Very low97 Ų97133.3 Ų133.380%0.80274%0.744SS**  trans63.3156.8164.800000117.1
761S32.1Very low28.4Very low97 Ų97135.8 Ų135.868%0.67875%0.754SS**  cis-146.2161.41.730.70000111.4
762H35Very low28.4Very low158 Ų158131.7 Ų131.773%0.73174%0.744SS**  trans71.1100.9179.2-59.3-51.4000115.7
763N30.3Very low28.7Very low131 Ų131131.3 Ų131.370%0.70174%0.744SS**  84.5131.665.9-70.82.5000111.5
764I31.9Very low28.8Very low147 Ų147131.1 Ų131.175%0.75474%0.738SS**  cis-146.3157.7-0.5-115.8158.6000109.5
765S27.2Very low28.9Very low86 Ų86131.7 Ų131.760%0.60174%0.736SS**  trans-61.8158.3178.855.60000114.2
766N30.6Very low29Very low155 Ų155129.3 Ų129.383%0.82973%0.733SS**  -153.4129.7115.9-97.9-16.5000112.2
767N27.6Very low29Very low142 Ų142129.2 Ų129.276%0.75973%0.733SS**  trans-81.7-168.3158.2-73.2-36.6000109.2
768N30Very low29.1Very low144 Ų144130.5 Ų130.577%0.7773%0.732SS**  trans87118.6177.4-53.5-9.9000111.7
769C24.6Very low28.9Very low106 Ų106131.9 Ų131.972%0.71673%0.726SS**  73.4132.461.9-63.50000112.1
770D26.1Very low29Very low140 Ų140130.5 Ų130.575%0.74972%0.719SS**  trans70.7117.1158.2-54-27.4000119.9
771N25.9Very low29Very low141 Ų141130.2 Ų130.275%0.75471%0.711SS**  78.9118.3128.8-73.2-30.6000122.3
772V27.2Very low28.9Very low109 Ų109134.2 Ų134.266%0.66171%0.713SS**  65.995.2120-178.90000117.7
773N31.5Very low28.7Very low128 Ų128133.3 Ų133.368%0.68471%0.709SS**  -179.4144.7108.8-91.2-46.7000108.3
774N27.1Very low28.8Very low126 Ų126135.6 Ų135.667%0.67471%0.712SS**  52.213270.7-53.6-37.1000111.1
775D32.1Very low28.8Very low134 Ų134136.3 Ų136.372%0.71772%0.717SS**  cis-159.9170.437.8-121-41.2000114.2
776T30.3Very low29.3Very low112 Ų112138.3 Ų138.369%0.68773%0.728SS**  trans24.4129.4155.959.90000121.6
777N26.1Very low29.4Very low139 Ų139134.6 Ų134.674%0.74373%0.726SS**  68.3137.458.9-156.3-5.8000113.9
778K27.8Very low29.3Very low174 Ų174133.9 Ų133.976%0.75773%0.731SS**  trans74.5152.7174.1-61.3179.7169.3-179.70116.4
779I26.1Very low29.5Very low118 Ų118133.2 Ų133.261%0.60574%0.735SS**  cis-162.7158.3-5.6-118172000112.5
780H28.7Very low29.5Very low156 Ų156137.6 Ų137.672%0.72274%0.741SS**  trans62.6166167.5-67.7-28.8000116.8
781S30.7Very low29.7Very low92 Ų92135.8 Ų135.864%0.64374%0.74SS**  cis-154.2150.716.9-23.60000114.8
782Y30.4Very low29.8Very low180 Ų180135.8 Ų135.871%0.70674%0.74SS**  trans50.6114.9148.1-60.8-57.1000120.9
783E30.7Very low29.8Very low139 Ų139137.2 Ų137.265%0.6575%0.748SS**  75.1141.495.2-76.8-178.6-157.900115.1
784K33.2Very low29.7Very low179 Ų179136.2 Ų136.278%0.77875%0.752SS**  cis-153.115526.7-131.4151-176.6131.90113.2
785L32Very low29.7Very low163 Ų163134.5 Ų134.585%0.85375%0.749SS**  trans-87.3-171.9164.4-73165.5000109.7
786P36.5Very low29.5Very low127 Ų127136.5 Ų136.583%0.82575%0.752SS**  cis-137-170.50.642.1-23.5000115.2
787G33Very low29.4Very low77 Ų77140.9 Ų140.979%0.79476%0.757SS**  trans160.570.7158.800000119.3
788C25.4Very low29.4Very low128 Ų128139 Ų13987%0.86576%0.755SS**  trans-100.1160.4163.3-640000110.4
789P33.4Very low29.4Very low130 Ų130140.8 Ų140.884%0.84476%0.763SS**  -143.9162.794.338.3-24000115.6
790K25.9Very low29.5Very low197 Ų197138.3 Ų138.386%0.85777%0.767SS**  trans-98.4153.8163.1-64.7177176.7179.10109.5
791S28.7Very low29.4Very low103 Ų103136.6 Ų136.672%0.7277%0.772SS**  153.1162.4120.361.50000115.2
792N29.6Very low29.4Very low141 Ų141141 Ų14175%0.75478%0.783SS**  trans76.188.3153.6-61.1-10.5000121.2
793V26.4Very low29.2Very low138 Ų138143.4 Ų143.484%0.83679%0.792SS**  43.9111.5113.6-1780000118.3
794S29.2Very low29.1Very low108 Ų108145.1 Ų145.176%0.75580%0.798SS**  -166.9133.2121.919.80000113.3
795S27Very low29Very low89 Ų89143 Ų14362%0.62280%0.795SS**  trans-6141.1152.152.60000118.8
796F29.5Very low28.6Very low176 Ų176145.9 Ų145.977%0.77280%0.796SS**  -167137.171-105.4-93.3000113.7
797Y27.4Very low28.4Very low204 Ų204144.9 Ų144.980%0.879%0.79SS**  trans40.6112.9144.4-83.6-110.8000122.1
798S26.3Very low28.1Very low101 Ų101146.1 Ų146.171%0.70679%0.785SS**  157.5137.9103.9-74.20000117.2
799K27.3Very low28.3Very low210 Ų210150.4 Ų150.491%0.91378%0.783SS**  trans68.2155.2154.6-66.8175.5178.5179.90119.4
800G28.5Very low28Very low66 Ų66150.9 Ų150.968%0.6878%0.778SS**  trans83.5103.6-173.400000111.9
801S26Very low28.1Very low121 Ų121151.5 Ų151.585%0.84678%0.775SS**  cis6967.413.484.60000116.6
802E30.3Very low28Very low184 Ų184150.9 Ų150.986%0.8677%0.77SS**  trans-145.3158.3160.3-135.1159.9-129.100111.3
803Y27.1Very low28.1Very low230 Ų230153.3 Ų153.390%0.90278%0.777SS**  trans-123.398-157-133.6-91.2000111.8
804F28.6Very low28.3Very low176 Ų176153.8 Ų153.877%0.77278%0.775SS**  trans-142.4146.5170.2-75.5-88.9000106.8
805D30.4Very low28.2Very low135 Ų135153.7 Ų153.772%0.72278%0.775SS**  cis-143.5168.119-105.5-51.5000113.1
806Y24.5Very low28.1Very low223 Ų223153.9 Ų153.988%0.87578%0.781SS**  trans-136.5101168.4-115.4-62.1000111.8
807P32.6Very low28.1Very low106 Ų106153.7 Ų153.769%0.68879%0.786SS**  trans-90.4139.7167.9-7.827.1000111.8
808C25.4Very low28.1Very low103 Ų103153.7 Ų153.770%0.69679%0.786SS**  trans-107.1135176.5-70.60000112.5
809W30.3Very low28.1Very low218 Ų218155.5 Ų155.583%0.82679%0.785SS**  trans-135131.1158.6-68.590.1000106.7
810L27.6Very low28.1Very low140 Ų140155.2 Ų155.273%0.73378%0.779SS**  57.2133.678.8-78.3155.5000111.8
811R27.8Very low28Very low210 Ų210157.3 Ų157.379%0.79277%0.774SS**  cis-149177.525.9-165.5170.3175.1-141.8-0.2112.7
812S26.9Very low28Very low89 Ų89160 Ų16062%0.62277%0.771SS**  trans-76.8157.7173.5540000114.3
813E31.8Very low27.8Very low192 Ų192156.4 Ų156.490%0.89776%0.761SS**  trans-146168.2143.6-136.2147-114.500111.5
814N29.6Very low27.8Very low148 Ų148150.9 Ų150.979%0.79175%0.752SS**  trans-119.3148.6-158.4-89.1-24.7000114.5
815S26.6Very low27.6Very low107 Ų107150.7 Ų150.775%0.74875%0.754SS**  trans44.6114.9146.363.10000121.2
816A25.6Very low27.4Very low92 Ų92152.4 Ų152.476%0.7676%0.761SS**  trans65.5126.4140.100000120.1
817I29.7Very low27.4Very low172 Ų172147.7 Ų147.788%0.88276%0.759SS**  -160.1170.4105.2-100.1160.6000110.1
818Y27.8Very low27.2Very low204 Ų204149.2 Ų149.280%0.877%0.766SS**  trans-61.8171.8-165.8-105.3-128.5000118
819M25.2Very low27.5Very low139 Ų139149.2 Ų149.269%0.68577%0.767SS**  trans-23.7158.8154.4-47.2-162.8-59.600116.1
820W27Very low27.5Very low205 Ų205147.9 Ų147.978%0.77777%0.77SS**  cis-166.3150.536.4-151.815.5000114.2
821N26.7Very low27.8Very low109 Ų109146.4 Ų146.458%0.58377%0.769SS**  trans58.9133.2145.4-84.3-8000123.7
822K26.5Very low27.9Very low177 Ų177143.3 Ų143.377%0.7777%0.768SS**  trans83.6120.2134.2-90.7-167.2170.1-171.90121.6
823T26.4Very low28Very low109 Ų109145.3 Ų145.367%0.66978%0.777SS**  45.6133.6128610000119.7
824T26.3Very low28Very low115 Ų115142.2 Ų142.271%0.70678%0.777SS**  cis-163.4173.66.74.70000109.9
825E24.7Very low28Very low172 Ų172142.8 Ų142.880%0.80478%0.778SS**  trans10.7131.3150-58.1173.9146.100120.1
826I26.4Very low28.3Very low171 Ų171143.9 Ų143.988%0.87778%0.775SS**  trans-156.4142.3133.3-104.4151.9000109.1
827C24.6Very low28.6Very low123 Ų123145.8 Ų145.883%0.83177%0.772SS**  trans-95.3152-171.7-58.70000113.7
828V29Very low28.7Very low139 Ų139143.4 Ų143.484%0.84276%0.761SS**  trans-146.7126.1164.8-178.40000106.4
829S31.6Very low29Very low102 Ų102141.3 Ų141.371%0.71376%0.759SS**  cis-161.2141.4-8.648.40000109.8
830E29.7Very low29.4Very low190 Ų190139.7 Ų139.789%0.88876%0.761SS**  trans-78.9158.2169-64.3-175.6141.700112.6
831P33Very low29.6Very low109 Ų109134 Ų13471%0.70875%0.753SS**  trans-107.7123.7150.334.1-23.6000111.9
832N29.8Very low29.7Very low146 Ų146139.5 Ų139.578%0.78177%0.766SS**  trans39.8134.5135.6-56.9-25.1000120.2
833T29Very low29.9Very low130 Ų130135.9 Ų135.980%0.79876%0.762SS**  cis-175.1139.55.815.70000109.1
834S32.1Very low30.1Very low128 Ų128140.3 Ų140.390%0.89577%0.772SS**  trans-159.2162149.260.50000110.3
835L29.4Very low30.3Very low159 Ų159140.2 Ų140.283%0.83278%0.777SS**  trans-128.6153.9-157.6-114161.3000112.4
836I32.7Very low30.9Very low131 Ų131137.1 Ų137.167%0.67277%0.771SS**  trans88.7106.5158.3-61.4154000118.3
837N32.9Very low31.2Very low131 Ų131134.4 Ų134.470%0.70176%0.762SS**  46147.6127.3-51.9-7.9000121.7
838N32.3Very low31.6Very low123 Ų123134.6 Ų134.666%0.65876%0.755SS**  cis-166.8155.8-12.4-109.2-20.1000110.6
839Q33.6Very low31.7Very low159 Ų159135.1 Ų135.174%0.74375%0.748SS**  trans40.9109.5145.5-66174.2-10.400119.1
840S32.6Very low31.9Very low105 Ų105136.3 Ų136.373%0.73475%0.746SS**  71.6152.983.880.80000114.6
841S31.8Very low32Very low87 Ų87133.6 Ų133.661%0.60874%0.742SS**  cis-167.9150.324.1-10.10000113.2
842W29.4Very low32Very low224 Ų224131.8 Ų131.885%0.84874%0.743SS**  trans71.1157.5147.9-64.331.9000117.9
843S30.5Very low32.3Very low100 Ų100133.6 Ų133.670%0.69975%0.747SS**  cis-164.1146.6-13.145.80000113.9
844K30Very low32.4Very low202 Ų202131.7 Ų131.788%0.87874%0.739SS**  trans22.9116.4152.5-67.6-179.1178.8177.10122.9
845S31.2Very low32.5Very low114 Ų114132.4 Ų132.480%0.79773%0.731SS**  62.4169.6117.2-111.80000122.2
846P38.3Very low32.5Very low107 Ų107130.7 Ų130.770%0.69572%0.723SS**  cis-135.9-162.9-43.527-2.9000114.4
847V31.8Very low32.4Very low113 Ų113131.4 Ų131.469%0.68572%0.724SS**  trans101.8121.5149.1-169.30000120.7
848N32.1Very low32.2Very low127 Ų127132.4 Ų132.468%0.67973%0.728SS**  trans66.1161.3151.9-70.815.9000120.9
849E32.9Very low32Very low150 Ų150129.9 Ų129.970%0.70172%0.72SS**  cis-162.5163.16.6-131.4160.2-142.700116
850I34.4Very low31.9Very low128 Ų128131 Ų13166%0.65673%0.725SS**  trans73.4112.7140-86.9160.4000125.3
851T33.4Very low31.7Very low133 Ų133130.2 Ų130.282%0.81672%0.72SS**  trans58.2147.1138.869.50000125.6
852G33Very low31.5Very low71 Ų71134.3 Ų134.373%0.73273%0.729SS**  trans165.394.8141.700000118.5
853Q35.5Very low31.3Very low183 Ų183128 Ų12886%0.85572%0.719SS**  trans42.4112.3145.6-72.8174-12.600120.1
854S31.3Very low31.3Very low90 Ų90131 Ų13163%0.62973%0.728SS**  63126.580.174.80000114.8
855I34.5Very low31.3Very low143 Ų143132.2 Ų132.273%0.73373%0.728SS**  -178.9139.693.6-93.8157.7000109.6
856N29.3Very low31.4Very low123 Ų123131.9 Ų131.966%0.65872%0.723SS**  trans37.4159.7140.4-58.726.6000121.7
857E29.6Very low30.9Very low147 Ų147135.2 Ų135.269%0.68773%0.729SS**  cis-172.7171.4-8-112170.8139.100108.2
858L29.3Very low30.7Very low152 Ų152134.1 Ų134.180%0.79673%0.732SS**  trans63.7158.5155.4-65.3148.4000117.1
859S26.9Very low30.4Very low70 Ų70135 Ų13549%0.4974%0.736SS.*  cis-171.8156.8-30.855.80000109.3
860H31.5Very low30.1Very low181 Ų181136 Ų13684%0.83874%0.738SS**  trans68.8155.8165.2-53.6-13.3000114.5
861S29.8Very low29.9Very low90 Ų90137.3 Ų137.363%0.62974%0.741SS**  cis-166.2159.1-19.544.60000108.9
862Q27.2Very low29.8Very low172 Ų172136.4 Ų136.480%0.80474%0.735SS**  trans37.1102.4144.4-71172.3-83.700117.6
863S25.3Very low29.8Very low92 Ų92141.7 Ų141.764%0.64374%0.741SS**  67.6123.885.4730000114.8
864D29.7Very low29.6Very low164 Ų164136.1 Ų136.188%0.87773%0.733SS**  trans-168.6143.8134.9-97.1-18.2000113.1
865Y30Very low29.7Very low227 Ų227139.8 Ų139.889%0.8975%0.745SS**  trans-94.6140157.1-100.8-97.6000106.9
866P34.1Very low29.5Very low106 Ų106141.3 Ų141.369%0.68875%0.749SS**  -142.5166.292.927.7-6.1000112
867Q27.2Very low29.8Very low178 Ų178141.5 Ų141.583%0.83276%0.755SS**  cis73.5133.443.1-149.817819.700113.6
868A27.4Very low30Very low89 Ų89139.4 Ų139.474%0.73676%0.756SS**  trans71.5153178.700000116.7
869L26.4Very low30.2Very low146 Ų146137 Ų13776%0.76475%0.752SS**  cis-160.4138.7-17.3-134.399000111
870F27.5Very low30.5Very low172 Ų172142.7 Ų142.775%0.75477%0.771SS**  trans63157.7147.4-91-117.1000125.2
871H29.4Very low30.4Very low155 Ų155141.9 Ų141.972%0.71877%0.767SS**  trans66.2114.8166.2-82.6-83.3000119
872V30.7Very low30.3Very low113 Ų113144.4 Ų144.469%0.68577%0.772SS**  84.7132.469.1160.90000111.3
873Q33.9Very low30.4Very low183 Ų183143.5 Ų143.586%0.85577%0.772SS**  cis-163.3147.240.5-154.5155.620.200114.5
874G31.6Very low30.9Very low66 Ų66144.8 Ų144.868%0.6878%0.776SS**  trans70.3152.4155.900000118.8
875N33.5Very low31Very low166 Ų166143 Ų14389%0.88877%0.773SS**  cis-150.3172.2-1.8-108.9-5.5000112.5
876Q30.6Very low31.1Very low176 Ų176139.8 Ų139.882%0.82277%0.771SS**  trans-58.3166.8-175-63173.3-37.400114.5
877V35.4Very low30.9Very low127 Ų127143.2 Ų143.277%0.7778%0.777SS**  -161.314161.31630000113.8
878S32.2Very low31.3Very low103 Ų103139.8 Ų139.872%0.7277%0.773SS**  trans8.6147.8162.464.80000122.6
879S34.7Very low31.4Very low100 Ų100142.7 Ų142.770%0.69977%0.774SS**  cis-160.6148.96.536.50000113.7
880E32.6Very low31.7Very low190 Ų190142.3 Ų142.389%0.88877%0.768SS**  trans61.886.1152.1-66.9178.2-174.700119.9
881H30.1Very low31.9Very low165 Ų165141.3 Ų141.376%0.76477%0.767SS**  trans-76.5146.4147-82.4-115.3000109.5
882I28.2Very low31.9Very low142 Ų142140 Ų14073%0.72877%0.77SS**  56.1131.673.7-44.8172000114
883L28.9Very low32Very low153 Ų153138.3 Ų138.380%0.80177%0.768SS**  trans111152.8161-76.6122.7000121.1
884T34.5Very low31.9Very low119 Ų119135.4 Ų135.473%0.7376%0.763SS**  trans-76.3-170.6172.754.30000111.7
885P33.5Very low32Very low127 Ų127138.5 Ų138.583%0.82577%0.768SS**  cis-141.8-148.38.945.1-22.8000115.4
886L30.9Very low31.7Very low160 Ų160137.8 Ų137.884%0.83876%0.763SS**  trans-89.3140.2-179.5168.275.8000113
887E30.9Very low31.7Very low177 Ų177132.5 Ų132.583%0.82776%0.756SS**  trans-177170.8137.6-111.7180-164.600116
888S34.5Very low31.3Very low107 Ų107134.2 Ų134.275%0.74876%0.755SS**  trans69.3128.7-176.571.50000116.6
889M29Very low31.2Very low150 Ų150139.4 Ų139.474%0.73976%0.759SS**  cis78.6133.226.9-54.2174.271.700114
890Q33.8Very low30.8Very low137 Ų137138.8 Ų138.864%0.6476%0.755SS**  cis-167.71523.8-122.8176.8-3.600111.4
891M30.8Very low30.7Very low151 Ų151137.8 Ų137.874%0.74475%0.75SS**  trans51.4156151.3-69.4-167.6-79.500120.1
892T31Very low30.7Very low128 Ų128136.7 Ų136.779%0.78575%0.748SS**  cis-163.9176.9-515.30000106.6
893A32.7Very low30.8Very low78 Ų78134 Ų13465%0.64575%0.747SS**  cis-155.1148.22.800000109
894V30.4Very low31.1Very low121 Ų121131.1 Ų131.173%0.73374%0.74SS**  48.8107100.4-172.20000117.2
895T34Very low31.1Very low131 Ų131133.2 Ų133.280%0.80474%0.741SS**  trans-179.7101.1143.5-73.30000106.8
896I28.3Very low31.3Very low152 Ų152133.9 Ų133.978%0.77973%0.733SS**  57.6103.583.1-54.9176.5000114.7
897G29.2Very low31.5Very low64 Ų64133.8 Ų133.866%0.6673%0.728SS**  105.211312700000121.3
898Q27.6Very low31.6Very low163 Ų163131.1 Ų131.176%0.76272%0.72SS**  trans72.4150.6140.8-53.2-170.35.400121.6
899R28.9Very low31.6Very low212 Ų212131.6 Ų131.680%0.871%0.714SS**  trans68.2122.7162.2-65.2160.6-171.3-155.4-2.9115.8
900S27.4Very low31.8Very low88 Ų88131.1 Ų131.162%0.61571%0.714SS**  cis78.3131.440.381.80000114.5
901H29.7Very low31.9Very low169 Ų169129.3 Ų129.378%0.78272%0.717SS**  trans70.2152.8173.2-60.1-74.4000114.6
902I30.2Very low32.1Very low142 Ų142129.2 Ų129.273%0.72872%0.719SS**  cis-157146.9-3.8-126.7164.9000111.9
903A30.7Very low32.3Very low85 Ų85128 Ų12870%0.70272%0.716SS**  trans58.1173.7156.700000118
904S34.8Very low32.3Very low92 Ų92130.9 Ų130.964%0.64372%0.721SS**  cis-151.6149.610.9-35.70000113.8
905H36Very low32.4Very low164 Ų164132.3 Ų132.376%0.75972%0.719SS**  trans67.2150.1148.6-64.5-34.6000119.2
906Q37.2Very low32.2Very low140 Ų140133 Ų13365%0.65472%0.718SS**  cis-153.71442.3-124.3153.337.400111.4
907Q34.8Very low32.1Very low158 Ų158133.2 Ų133.274%0.73872%0.721SS**  trans34.8142.8133.5-64.6179.1-17.700120.6
908N33.2Very low32.2Very low121 Ų121135.4 Ų135.465%0.64772%0.721SS**  cis-168.5162.98.8-118.40.8000113.2
909N34.3Very low32.2Very low118 Ų118135.6 Ų135.663%0.63172%0.722SS**  trans70.6107.4148.1-60.6-4.2000123.3
910N33Very low32Very low140 Ų140130 Ų13075%0.74971%0.714SS**  87.6146.1120.2-63.32.3000124
911S35.5Very low32.1Very low99 Ų99134 Ų13469%0.69272%0.723SS**  trans88.395.9154.7-0.90000119.8
912D34.9Very low32Very low149 Ų149131.4 Ų131.480%0.79772%0.719SS**  83117.5123.2-55-19.7000124
913S35.1Very low32.1Very low102 Ų102132 Ų13271%0.71372%0.723SS**  trans100111.8133.874.70000120.6
914N32.3Very low32.1Very low139 Ų139138 Ų13874%0.74373%0.727SS**  trans65.1133.5142-57.4-16.7000119.7
915Q33Very low31.9Very low151 Ų151139.6 Ų139.671%0.70673%0.729SS**  cis-160.3149.8-4.3-126.2170.8-26.400111.7
916N30.5Very low31.6Very low145 Ų145143.1 Ų143.178%0.77574%0.735SS**  trans60.890158.3-55.9-15.2000118.6
917D26Very low31.4Very low157 Ų157141.9 Ų141.984%0.8474%0.741SS**  trans-145.8152146.8-145.9-7000111.9
918V30.7Very low31.1Very low110 Ų110141.7 Ų141.767%0.66775%0.745SS**  trans17.5106.7174.5-165.30000121.6
919H28.3Very low31.1Very low167 Ų167141.2 Ų141.277%0.77375%0.751SS**  trans-165.6129.6131-111.346.3000109
920C25.2Very low31.2Very low94 Ų94141.8 Ų141.864%0.63576%0.759SS**  80.7161.972.9-69.40000114.7
921E29Very low31.1Very low173 Ų173141.9 Ų141.981%0.80876%0.759SS**  trans70.5118.4177.9-59.4-161.9109.900115.6
922T28.1Very low31Very low113 Ų113145.2 Ų145.269%0.69377%0.768SS**  86.2145.171.5-54.40000111.2
923L32Very low30.9Very low154 Ų154147.2 Ų147.281%0.80677%0.769SS**  trans78154.6179.8-48.8178.6000116.1
924W29.9Very low30.4Very low212 Ų212147.8 Ų147.880%0.80377%0.772SS**  cis-174.1111.6-29.7-179.7-110000109.6
925N30.2Very low30.4Very low126 Ų126146.9 Ų146.967%0.67477%0.774SS**  trans69.5160.9160.5-69.6-33.3000122.3
926R30.8Very low30.1Very low238 Ų238146 Ų14690%0.89878%0.779SS**  trans85.8117152.3-146.1167.4-162.8164.53.7116
927C33.4Very low30.2Very low113 Ų113148 Ų14876%0.76478%0.784SS**  cis-123.6148.2-4.9-71.30000109.2
928N28.1Very low30.2Very low154 Ų154149.3 Ų149.382%0.82479%0.785SS**  cis84134.733.7-142.518.8000114.4
929S32.8Very low30.1Very low112 Ų112152.4 Ų152.478%0.78379%0.794SS**  trans78.3120.9-168.7-55.70000115.1
930T36.4Very low30.2Very low130 Ų130149.8 Ų149.880%0.79879%0.79SS**  cis-140.3162.33.154.60000113.6
931N31Very low30.3Very low141 Ų141151 Ų15175%0.75480%0.795SS**  trans-36.5151.2168.1-54.3-62.1000113.9
932I33.7Very low30.2Very low170 Ų170149.3 Ų149.387%0.87279%0.791SS**  -140.1159.460.5-78.9161.8000113
933K33.1Very low30.4Very low191 Ų191153.3 Ų153.383%0.8380%0.799SS**  trans-73.1154.5-168-55.3173.4175.6178.50114.9
934C23.7Very low30.2Very low113 Ų113154.9 Ų154.976%0.76480%0.799SS**  trans-66171.8152.8-460000111
935P32.7Very low30.1Very low120 Ų120151.8 Ų151.878%0.77980%0.797SS**  -140.2148.881.637.2-22.8000115.2
936T27.2Very low30Very low133 Ų133148.8 Ų148.882%0.81680%0.795SS**  trans-85.2124.8150.144.90000108.3
937E31.2Very low30Very low188 Ų188144.7 Ų144.788%0.87979%0.79SS**  trans-156.4153.7159.5-123.5158.5-134.700111.6
938E27Very low29.6Very low184 Ų184145.3 Ų145.386%0.8678%0.784SS**  trans-82.5142.8-169.5-53.3166.7128.600111.6
939M29.3Very low29.8Very low174 Ų174145.5 Ų145.586%0.85778%0.78SS**  trans179.8109147.7-101.4172.9-163.200110
940T29.4Very low29.7Very low113 Ų113146.1 Ų146.169%0.69378%0.775SS**  64.4125.796.563.60000118.1
941T28.2Very low29.5Very low120 Ų120144.1 Ų144.174%0.73677%0.766SS**  trans66.9128.814655.30000122.1
942D25.1Very low29.5Very low136 Ų136145.3 Ų145.373%0.72777%0.771SS**  trans4496.1134-55.7-27000120.8
943K33.7Very low29.4Very low198 Ų198143.1 Ų143.186%0.86176%0.761SS**  trans-171.7133.4132-94.9134.9-150.3157.70107.6
944K28.2Very low29.4Very low186 Ų186141.8 Ų141.881%0.80976%0.757SS**  cis66.5128.838.5-162.7-177.9-176.9178.30112.2
945I27.7Very low29.9Very low148 Ų148139.6 Ų139.676%0.75975%0.754SS**  trans71.7124.4-164-46.8155.8000108.5I947I945-I947 HydrophobicContact CG2-CG1 4.36Å
946G27.3Very low29.6Very low62 Ų62144 Ų14464%0.63976%0.757SS**  cis124-168.818.700000108.2
947I29.8Very low29.9Very low152 Ų152143.6 Ų143.678%0.77976%0.759SS**  trans70.6131.1-178.4-50.3171.7000111.8I945I945-I947 HydrophobicContact CG2-CG1 4.36Å
948I27Very low29.7Very low126 Ų126139.4 Ų139.465%0.64675%0.747SS**  cis-177.7174.2-27.9-111.1158.6000104.6
949E30.8Very low29.9Very low159 Ų159142.5 Ų142.574%0.74375%0.751SS**  trans66.8145.1171.5-75.6151.8-130.100116
950N31.8Very low29.8Very low125 Ų125141.1 Ų141.167%0.66875%0.747SS**  cis-137.8129.5-9.5-100.7-46.5000106.8
951S32Very low30.1Very low88 Ų88142.4 Ų142.462%0.61575%0.754SS**  90.6131.664.3-65.50000112.6
952L31Very low30.3Very low165 Ų165143 Ų14386%0.86476%0.758SS**  trans70.6151.3171-49164.2000114
953L32.1Very low30.5Very low124 Ų124140.2 Ų140.265%0.64976%0.761SS**  cis-147.5156.24.7-159.472.5000110.4
954E32.8Very low30.6Very low163 Ų163140.1 Ų140.176%0.76276%0.764SS**  trans24.8145.5155-72147-145.400123.4
955G33.2Very low31Very low68 Ų68140 Ų14070%0.70176%0.763SS**  cis-175173.4700000117.5
956Y27Very low31.1Very low212 Ų212139.7 Ų139.783%0.83176%0.761SS**  trans-49.6148.2-174.2-55.3-98.7000117.2
957S32.2Very low31.5Very low124 Ų124144.5 Ų144.587%0.86777%0.773SS**  -147.5142.4110.4-164.10000111.3
958T27.3Very low31.5Very low100 Ų100145.7 Ų145.761%0.61377%0.774SS**  trans-106.4152.5-173.855.30000111.8
959R31.6Very low31.9Very low250 Ų250148.1 Ų148.194%0.94378%0.783SS**  trans-154137.4131.7-116.4165.5-169.3179.53113.1
960N27Very low32.2Very low144 Ų144147.5 Ų147.577%0.7779%0.785SS**  trans-80144.7-177.1-48.2-31.3000110.5
961V35.3Very low32.1Very low141 Ų141149.3 Ų149.386%0.85579%0.794SS**  trans-134.7128.8139.6-171.70000107.4
962T33.9Very low32.4Very low133 Ų133154.8 Ų154.882%0.81682%0.824SS**  trans-66.4136.7168.845.90000109
963G29.3Very low32.5Very low77 Ų77154.3 Ų154.379%0.79482%0.822SS**  cis101.770.338.300000108.7
964E35.2Very low32.5Very low195 Ų195155.9 Ų155.991%0.91183%0.831SS**  trans-139.4172.2172.7-149.6162-140.700111.1
965K35.9Very low32.5Very low185 Ų185155.5 Ų155.580%0.80484%0.835SS**  trans-94.6131.1-148.8-69.6173.4-177.8170.10115.1
966I30.9Very low32.5Very low140 Ų140160.6 Ų160.672%0.71884%0.843SS**  30.8115.7116.3-48.8165000115.9
967N35.5Very low32.8Very low164 Ų164157.4 Ų157.488%0.87784%0.844SS**  -157.2138118.3-97.8-16.3000111.2
968H30.2Very low32.9Very low176 Ų176159.7 Ų159.782%0.81584%0.842SS**  trans-97132.9171.8-98.8-99.4000109
969E34.8Very low33.2Very low177 Ų177163.9 Ų163.983%0.82786%0.858SS**  trans177.1128.3157.4-104.9167.6-138.300106.2
970N37.5Very low33.4Very low147 Ų147157.3 Ų157.379%0.78685%0.852SS**  cis-132.4164.64.7-79.2-80.7000110.9
971L29Very low33.9Very low162 Ų162158.4 Ų158.485%0.84886%0.859SS**  trans-130.4114177.7-144173.3000109.4
972T39.3Very low33.8Very low204 Ų204160 Ų160100%1.25286%0.859SS**  trans-1490170.153.10000108.7

Retrieved 972 of 972 residues in 435 ms (Link to these results)