A0A087YJ95_POEFO Loading...

Solute carrier family 25 member 34

AlphaFold DB , UniProt , Accession A0A087YJ95, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 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
1M32Very low25.9Very low232 Ų232142.3 Ų142.3100%1.14385%0.845SS**  0107.30-77.3173.2144.900107.4
2D24Very low25.7Very low133 Ų133142.3 Ų142.371%0.71184%0.837SS**  cis-169.1126.2-12.8-97.1-33.4000103.1
3H23.4Very low25.5Very low166 Ų166147 Ų14777%0.76985%0.846SS**  60.2118.1104.9-95.7-65.3000117.2
4S24.9Very low25.3Very low113 Ų113144.9 Ų144.979%0.7984%0.837SS**  trans87.3129.4131.1-52.30000120.3
5G24.5Very low25.1Very low80 Ų80140.1 Ų140.183%0.82582%0.815SS**  trans16678.3163.100000114.7
6M25.6Very low24.9Very low177 Ų177139.1 Ų139.187%0.87281%0.814SS**  trans-62.8151.2173.8-69.516062.800113.4
7T25.3Very low24.8Very low134 Ų134140.7 Ų140.782%0.82281%0.809SS**  154.7121.1124.340.80000108.6
8G27.8Very low24.8Very low85 Ų85142.4 Ų142.488%0.87681%0.809SS**  cis90.438.128.900000111.9
9A27.5Very low24.7Very low88 Ų88139.9 Ų139.973%0.72780%0.801SS**  trans-146.280.8-179.600000111.4
10Q26.3Very low24.7Very low190 Ų190136.3 Ų136.389%0.88879%0.789SS**  trans178.890.8149.6-102.2172500107.9
11L23.7Very low24.7Very low167 Ų167136.3 Ų136.387%0.87478%0.78SS**SBendtrans176.6129.1147.5-95.7159.2000108.6
12L23.2Very low24.3Very low142 Ų142127.8 Ų127.874%0.74374%0.743SS**  trans76.583.1167.3-65.7141.8000116.6T14L12-T14 HydrophobicContact CB-CG2 4.32Å; L12-T14 PolarHBondContact O-N 2.96Å
13E22.6Very low24.4Very low204 Ų204128.1 Ų128.195%0.95374%0.74SS**  trans-55.494.8138.6-78.6179.4131.600108.4S15E13-S15 PolarHBondContact O-N 3.14Å; E13-S15 VanDerWaalsContact O-N 3.13Å
14T22.8Very low24.5Very low118 Ų118128 Ų12872%0.72473%0.732SS**  trans-72.6102168.942.90000108.5L12L12-T14 HydrophobicContact CB-CG2 4.32Å; L12-T14 PolarHBondContact O-N 2.96Å
15S22.8Very low24.6Very low73 Ų73126.4 Ų126.451%0.5171%0.714SS.*  trans-52.1133.2169.3-166.40000110.4E13 K17E13-S15 PolarHBondContact O-N 3.14Å; E13-S15 VanDerWaalsContact O-N 3.13Å; S15-K17 PolarHBondContact O-N 2.97Å
16P22.4Very low24.6Very low123 Ų123123.6 Ų123.680%0.79968%0.683SS**THydrogen-bonded Turntrans-77.647.4-176.432.5-35.7000112.7
17K22.9Very low24.7Very low167 Ų167118.1 Ų118.173%0.72666%0.662SS**THydrogen-bonded Turntrans-104.3-8.7-174.7-77-177.9177.7173.90115S15S15-K17 PolarHBondContact O-N 2.97Å
18E25.1Very low24.7Very low172 Ų172114.8 Ų114.880%0.80464%0.642SS**SBendtrans-88.9-23.6-176.1-77.4-178.1147.300114.8A20 F21E18-A20 PolarHBondContact O-N 2.88Å; E18-F21 PolarHBondContact O-N 2.8Å
19S22.1Very low24.7Very low95 Ų95112.5 Ų112.566%0.66462%0.615SS**Hα-helixtrans-72.8-15.3178.3790000113.8F21S19-F21 VanDerWaalsContact C-N 3.27Å; S19-F21 PolarHBondContact O-N 2.86Å
20A24.2Very low25.3Very low67 Ų67111.4 Ų111.455%0.55460%0.599SS**Hα-helixtrans-78.3-8.7176.500000113.6E18E18-A20 PolarHBondContact O-N 2.88Å
21F25.3Very low25.6Very low137 Ų137104.1 Ų104.160%0.60157%0.568SS**Hα-helixtrans-88.4-36.3-177.3-149.9-102.9000112.8E18 S19 H23 R24 M25E18-F21 PolarHBondContact O-N 2.8Å; S19-F21 VanDerWaalsContact C-N 3.27Å; S19-F21 PolarHBondContact O-N 2.86Å; F21-H23 VanDerWaalsContact C-N 3.35Å; F21-H23 PolarHBondContact O-N 3.41Å; F21-R24 PolarHBondContact O-N 3.03Å; F21-M25 HydrophobicContact CD1-CE 3.75Å; F21-M25 HydrophobicContact CE1-CE 3.35Å; F21-M25 HydrophobicContact CZ-CE 4.27Å
22S24.2Very low26.4Very low52 Ų52105.1 Ų105.136%0.36456%0.56SS.*Hα-helixtrans-66.4-30.7179.6-79.90000114R24S22-R24 PolarHBondContact O-N 3.39Å
23H25.5Very low27Very low140 Ų14099.4 Ų99.465%0.64853%0.532SS*.THydrogen-bonded Turntrans-72.1-8.2178.4-86.4-71.7000114.7F21F21-H23 VanDerWaalsContact C-N 3.35Å; F21-H23 PolarHBondContact O-N 3.41Å
24R26.1Very low28.2Very low163 Ų16396.2 Ų96.262%0.61553%0.527SS*.THydrogen-bonded Turntrans-88.8-8.3-178.3-80.8-175.8179.8-177.93.3115.1F21 S22F21-R24 PolarHBondContact O-N 3.03Å; S22-R24 PolarHBondContact O-N 3.39Å
25M26.7Very low29.2Very low81 Ų8197.1 Ų97.140%0.39953%0.526SS..SBendtrans-104.1-3.1-164.8-72.6-175.6-171.900116.3F21 S143F21-M25 HydrophobicContact CD1-CE 3.75Å; F21-M25 HydrophobicContact CE1-CE 3.35Å; F21-M25 HydrophobicContact CZ-CE 4.27Å; M25-S143 WeakPolarHBondContact SD-CB 3.45Å; M25-S143 PolarHBondContact SD-OG 3.34Å
26A24.8Very low29.9Very low21 Ų2195.4 Ų95.417%0.17452%0.521CS..SBendtrans-103.66.3178.500000114.9F47 Y128A26-F47 HydrophobicContact CB-CE1 4.07Å; A26-F47 HydrophobicContact CB-CZ 4.34Å; A26-Y128 HydrophobicContact CB-CD1 4.38Å; A26-Y128 HydrophobicContact CB-CE1 4.3Å
27S26.8Very low30.9Very low61 Ų6195.7 Ų95.743%0.42752%0.522SS..SBendtrans-132.6139.7177.5-121.30000110A29S27-A29 PolarHBondContact O-N 2.83Å; S27-A29 VanDerWaalsContact O-N 3.08Å
28P25.9Very low32.3Very low65 Ų6590.8 Ų90.842%0.42251%0.508SS..SBendtrans-48.9124.8163.10.84.1000106.4V30P28-V30 PolarHBondContact O-N 3.37Å
29A28.6Very low33.7Very low36 Ų3686.2 Ų86.230%0.29849%0.492SS..  trans-38.8104.1-170.100000111.7S27 P31 F225S27-A29 PolarHBondContact O-N 2.83Å; S27-A29 VanDerWaalsContact O-N 3.08Å; A29-P31 VanDerWaalsContact O-CD 3.25Å; A29-P31 WeakPolarHBondContact O-CD 3.3Å; A29-F225 HydrophobicContact CB-CD1 3.81Å; A29-F225 HydrophobicContact CB-CD2 4.04Å; A29-F225 HydrophobicContact CB-CE1 3.19Å; A29-F225 HydrophobicContact CB-CE2 3.46Å; A29-F225 VanDerWaalsContact CB-CE2 3.46Å; A29-F225 HydrophobicContact CB-CG 4.21Å; A29-F225 HydrophobicContact CB-CZ 3Å
30V39Very low35.5Very low65 Ų6586.3 Ų86.339%0.39450%0.499SS..PPolyproline II helixtrans-67.5117.2-175.6-1670000105.8P28 R32 W326P28-V30 PolarHBondContact O-N 3.37Å; V30-R32 PolarHBondContact O-N 2.96Å; V30-W326 HydrophobicContact CG1-CZ3 4.03Å
31P33Very low37.7Very low37 Ų3784 Ų8424%0.2448%0.479CS..PPolyproline II helixtrans-51.3135.5161.7-17.429.7000106.7A29 S33 M323A29-P31 VanDerWaalsContact O-CD 3.25Å; A29-P31 WeakPolarHBondContact O-CD 3.3Å; P31-S33 PolarHBondContact O-N 3.43Å; P31-M323 WeakPolarHBondContact CD-SD 3.14Å; P31-M323 HydrophobicContact CG-CE 3.91Å; P31-M323 HydrophobicContact CG-SD 3.7Å
32R40.1Very low40.1Very low188 Ų18886.1 Ų86.171%0.70948%0.482SS*.PPolyproline II helixtrans-46.1125.8171-79.6176.3165.3154.9-6.3107.9V30 V34V30-R32 PolarHBondContact O-N 2.96Å; R32-V34 PolarHBondContact O-N 3.41Å
33S37.2Very low42.5Very low22 Ų2286.2 Ų86.215%0.15448%0.482CS..  trans-34.9137.9174.833.70000110.4P31 L35 G36P31-S33 PolarHBondContact O-N 3.43Å; S33-L35 PolarHBondContact O-N 3.22Å; S33-G36 PolarHBondContact O-N 3.36Å; S33-G36 PolarHBondContact OG-O 3.47Å
34V47.5Very low45Very low138 Ų13883.3 Ų83.384%0.83648%0.475SS*.THydrogen-bonded Turntrans-56.1-11.8-179.4177.10000112.1R32R32-V34 PolarHBondContact O-N 3.41Å
35L42.4Very low47.6Very low136 Ų13678.9 Ų78.971%0.71246%0.464SS*.THydrogen-bonded Turntrans-127.827.5-170.5-81.8145.5000115.9S33S33-L35 PolarHBondContact O-N 3.22Å
36G37.4Very low50.2Low38 Ų3876.8 Ų76.839%0.39245%0.454SS..SBendtrans93.2177.3170.700000115.1S33S33-G36 PolarHBondContact O-N 3.36Å; S33-G36 PolarHBondContact OG-O 3.47Å
37P44.8Very low52.7Low129 Ų12978.7 Ų78.784%0.83846%0.458SS*.SBendtrans-64.4124.7-170.326-32.3000110.7
38P51.4Low55.3Low64 Ų6477.9 Ų77.942%0.41646%0.456SS..PPolyproline II helixtrans-82.2143.1-167.232.1-36.1000112.3R330P38-R330 VanDerWaalsContact CB-CZ 3.46Å; P38-R330 VanDerWaalsContact CB-NH1 3.26Å
39P54.5Low58.2Low75 Ų7575.5 Ų75.549%0.48744%0.439SS..PPolyproline II helixtrans-62.5146.8175.9-19.330.5000112.7V41 R330 I334P39-V41 PolarHBondContact O-N 3.42Å; P39-R330 PolarHBondContact O-NH2 2.99Å; P39-I334 HydrophobicContact CB-CD1 3.89Å; P39-I334 HydrophobicContact CB-CG2 4.36Å; P39-I334 HydrophobicContact CG-CD1 3.84Å; P39-I334 HydrophobicContact CG-CG2 4.32Å
40A59.8Low60.7Low98 Ų9874.7 Ų74.781%0.8144%0.435SS*.PPolyproline II helixtrans-64.3117-176.300000112.4
41V70Confident62.9Low19 Ų1972.5 Ų72.512%0.11542%0.423CS..  trans-106.5151.4173.4-179.20000108.3P39 L45 D46 R330 I334P39-V41 PolarHBondContact O-N 3.42Å; V41-L45 HydrophobicContact CG1-CB 4.22Å; V41-L45 HydrophobicContact CG1-CD2 3.74Å; V41-L45 HydrophobicContact CG1-CG 3.98Å; V41-D46 HydrophobicContact CG1-CB 4.42Å; V41-R330 HydrophobicContact CG2-CG 3.79Å; V41-I334 HydrophobicContact CG2-CD1 3.74Å; V41-I334 HydrophobicContact CG2-CG1 3.61Å
42W76.4Confident65.6Low180 Ų18075.4 Ų75.468%0.68244%0.436SS*.  trans-58.8127.4179.3-14053.3000109.7P44 L45 D46W42-P44 HydrophobicContact CE3-CB 4.26Å; W42-P44 HydrophobicContact CE3-CG 3.92Å; W42-P44 HydrophobicContact CZ3-CB 4.46Å; W42-P44 HydrophobicContact CZ3-CG 4.07Å; W42-L45 HydrophobicContact CB-CB 4.17Å; W42-L45 WeakPolarHBondContact O-CA 3.36Å; W42-L45 WeakPolarHBondContact O-CB 3.31Å; W42-L45 PolarHBondContact O-N 2.94Å; W42-D46 PolarHBondContact O-N 2.77Å
43P75.1Confident67.9Low55 Ų5566.5 Ų66.536%0.35740%0.403SS..Hα-helixtrans-55.2-44.5-170.6-24.631.3000114.5L45 D46 F47P43-L45 VanDerWaalsContact C-N 3.27Å; P43-L45 PolarHBondContact O-N 2.95Å; P43-D46 PolarHBondContact O-N 2.76Å; P43-F47 HydrophobicContact CB-CE2 4.27Å; P43-F47 WeakPolarHBondContact O-CD2 3.14Å; P43-F47 WeakPolarHBondContact O-CG 3.26Å; P43-F47 PolarHBondContact O-N 2.95Å
44P77.4Confident70.2Confident78 Ų7866.7 Ų66.751%0.50640%0.404SS..Hα-helixtrans-61.3-35.7176.8-23.134.7000113.2W42 A48W42-P44 HydrophobicContact CE3-CB 4.26Å; W42-P44 HydrophobicContact CE3-CG 3.92Å; W42-P44 HydrophobicContact CZ3-CB 4.46Å; W42-P44 HydrophobicContact CZ3-CG 4.07Å; P44-A48 WeakPolarHBondContact O-CB 3.22Å; P44-A48 PolarHBondContact O-N 2.9Å
45L82Confident72.2Confident71 Ų7161.1 Ų61.137%0.37237%0.371SS..Hα-helixtrans-67.5-48.1176.2177.861.6000110.2V41 W42 P43 F47 A48 L49V41-L45 HydrophobicContact CG1-CB 4.22Å; V41-L45 HydrophobicContact CG1-CD2 3.74Å; V41-L45 HydrophobicContact CG1-CG 3.98Å; W42-L45 HydrophobicContact CB-CB 4.17Å; W42-L45 WeakPolarHBondContact O-CA 3.36Å; W42-L45 WeakPolarHBondContact O-CB 3.31Å; W42-L45 PolarHBondContact O-N 2.94Å; P43-L45 VanDerWaalsContact C-N 3.27Å; P43-L45 PolarHBondContact O-N 2.95Å; L45-F47 PolarHBondContact O-N 3.37Å; L45-A48 WeakPolarHBondContact O-CB 3.49Å; L45-A48 PolarHBondContact O-N 3.02Å; L45-L49 HydrophobicContact CD1-CD2 4.37Å; L45-L49 HydrophobicContact CD1-CG 4.29Å; L45-L49 HydrophobicContact CG-CD1 4.41Å; L45-L49 HydrophobicContact CG-CG 4.43Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.19Å; L45-L49 PolarHBondContact O-N 3.36Å
46D79.7Confident74.6Confident36 Ų3656.2 Ų56.219%0.19335%0.35CS..Hα-helixtrans-58-37.6179.3-16227000112.1V41 W42 P43 G50 W326 R330V41-D46 HydrophobicContact CG1-CB 4.42Å; W42-D46 PolarHBondContact O-N 2.77Å; P43-D46 PolarHBondContact O-N 2.76Å; D46-G50 PolarHBondContact O-N 2.92Å; D46-W326 PolarHBondContact O-NE1 3.32Å; D46-W326 VanDerWaalsContact OD1-CE2 3.26Å; D46-W326 WeakPolarHBondContact OD1-CZ2 3.16Å; D46-W326 PolarHBondContact OD1-NE1 2.93Å; D46-R330 IonicContact OD1-NE 3.69Å
47F77Confident77Confident61 Ų6154.4 Ų54.427%0.26833%0.331SS..Hα-helixtrans-70.3-40.5173.8-70.6-58.5000113.9A26 P43 L45 L49 G50 A51 L125A26-F47 HydrophobicContact CB-CE1 4.07Å; A26-F47 HydrophobicContact CB-CZ 4.34Å; P43-F47 HydrophobicContact CB-CE2 4.27Å; P43-F47 WeakPolarHBondContact O-CD2 3.14Å; P43-F47 WeakPolarHBondContact O-CG 3.26Å; P43-F47 PolarHBondContact O-N 2.95Å; L45-F47 PolarHBondContact O-N 3.37Å; F47-L49 VanDerWaalsContact C-N 3.32Å; F47-G50 PolarHBondContact O-N 3.47Å; F47-G50 VanDerWaalsContact O-N 3.17Å; F47-A51 PolarHBondContact O-N 3.31Å; F47-L125 HydrophobicContact CB-CD1 3.62Å; F47-L125 HydrophobicContact CB-CD2 3.67Å; F47-L125 HydrophobicContact CB-CG 4.28Å; F47-L125 HydrophobicContact CD1-CD2 3.32Å; F47-L125 HydrophobicContact CD2-CD2 3.88Å; F47-L125 HydrophobicContact CE1-CD2 3.82Å; F47-L125 HydrophobicContact CE2-CD2 4.35Å; F47-L125 HydrophobicContact CG-CD1 4.29Å; F47-L125 HydrophobicContact CG-CD2 3.36Å; F47-L125 HydrophobicContact CG-CG 4.44Å; F47-L125 HydrophobicContact CZ-CD2 4.31Å
48A82.6Confident79.1Confident45 Ų4548.6 Ų48.637%0.37229%0.293SS..Hα-helixtrans-62.2-41.7174.300000111.1P44 L45 G50 A51 L52P44-A48 WeakPolarHBondContact O-CB 3.22Å; P44-A48 PolarHBondContact O-N 2.9Å; L45-A48 WeakPolarHBondContact O-CB 3.49Å; L45-A48 PolarHBondContact O-N 3.02Å; A48-G50 VanDerWaalsContact C-N 3.3Å; A48-G50 PolarHBondContact O-N 2.94Å; A48-A51 PolarHBondContact O-N 2.89Å; A48-L52 WeakPolarHBondContact O-CG 3.46Å; A48-L52 PolarHBondContact O-N 3.45Å
49L85.6Confident81.1Confident15 Ų1548.1 Ų48.18%0.07929%0.289CS..Hα-helixtrans-60.8-40.9172.5-62.4-177.4000111L45 F47 L52 A53 M329 R330 A333L45-L49 HydrophobicContact CD1-CD2 4.37Å; L45-L49 HydrophobicContact CD1-CG 4.29Å; L45-L49 HydrophobicContact CG-CD1 4.41Å; L45-L49 HydrophobicContact CG-CG 4.43Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.19Å; L45-L49 PolarHBondContact O-N 3.36Å; F47-L49 VanDerWaalsContact C-N 3.32Å; L49-L52 PolarHBondContact O-N 3.22Å; L49-A53 VanDerWaalsContact O-CB 3.23Å; L49-A53 WeakPolarHBondContact O-CB 3.29Å; L49-A53 PolarHBondContact O-N 3.38Å; L49-M329 HydrophobicContact CB-CB 4.5Å; L49-M329 HydrophobicContact CD2-CB 4.14Å; L49-M329 HydrophobicContact CD2-CE 3.69Å; L49-R330 HydrophobicContact CD1-CB 4.23Å; L49-A333 HydrophobicContact CD1-CB 4.1Å
50G82.9Confident82.8Confident19 Ų1950.8 Ų50.820%0.19629%0.293CS..Hα-helixtrans-62.2-41.8174.500000113.3D46 F47 A48 A53 C54D46-G50 PolarHBondContact O-N 2.92Å; F47-G50 PolarHBondContact O-N 3.47Å; F47-G50 VanDerWaalsContact O-N 3.17Å; A48-G50 VanDerWaalsContact C-N 3.3Å; A48-G50 PolarHBondContact O-N 2.94Å; G50-A53 PolarHBondContact O-N 3.4Å; G50-C54 PolarHBondContact O-N 3.46Å; G50-C54 PolarHBondContact O-SG 3.13Å; G50-C54 VanDerWaalsContact O-SG 3.35Å
51A84.6Confident84.3Confident19 Ų1946.2 Ų46.216%0.15726%0.255CS..Hα-helixtrans-64.8-44.417600000111.7F47 A48 C54 C55 N121F47-A51 PolarHBondContact O-N 3.31Å; A48-A51 PolarHBondContact O-N 2.89Å; A51-C54 PolarHBondContact O-N 3.38Å; A51-C55 PolarHBondContact O-N 3.13Å; A51-C55 PolarHBondContact O-SG 2.9Å; A51-C55 VanDerWaalsContact O-SG 3.41Å; A51-N121 HydrophobicContact CB-CB 3.86Å
52L88.9Confident85.4Confident97 Ų9745.3 Ų45.351%0.50825%0.25SC..Hα-helixtrans-63.9-40.6176.2-71.4171.2000112.1A48 L49 C54 C55 A56 M329A48-L52 WeakPolarHBondContact O-CG 3.46Å; A48-L52 PolarHBondContact O-N 3.45Å; L49-L52 PolarHBondContact O-N 3.22Å; L52-C54 PolarHBondContact O-N 3.4Å; L52-C55 WeakPolarHBondContact O-CB 3.14Å; L52-C55 PolarHBondContact O-N 3.38Å; L52-C55 VanDerWaalsContact O-N 3.16Å; L52-A56 PolarHBondContact O-N 2.96Å; L52-M329 HydrophobicContact CB-CE 3.47Å; L52-M329 VanDerWaalsContact CB-CE 3.47Å; L52-M329 HydrophobicContact CB-SD 4.09Å; L52-M329 HydrophobicContact CD1-CE 3.59Å; L52-M329 HydrophobicContact CG-CE 4.18Å
53A88.1Confident86.2Confident1 Ų138 Ų381%0.00823%0.225CC..Hα-helixtrans-61.3-42.8175.800000112L49 G50 C55 A56 A57 S322 F325 W326 M329L49-A53 VanDerWaalsContact O-CB 3.23Å; L49-A53 WeakPolarHBondContact O-CB 3.29Å; L49-A53 PolarHBondContact O-N 3.38Å; G50-A53 PolarHBondContact O-N 3.4Å; A53-C55 VanDerWaalsContact C-N 3.35Å; A53-C55 PolarHBondContact O-N 3.14Å; A53-A56 PolarHBondContact O-N 3.32Å; A53-A57 WeakPolarHBondContact O-CB 3.35Å; A53-A57 PolarHBondContact O-N 3.21Å; A53-S322 WeakPolarHBondContact CB-O 3.1Å; A53-F325 HydrophobicContact CB-CB 3.74Å; A53-W326 HydrophobicContact CB-CB 3.79Å; A53-M329 HydrophobicContact CB-SD 4.37Å
54C86.6Confident87Confident26 Ų2636.3 Ų36.318%0.17621%0.214CC..Hα-helixtrans-63.8-38.5173.3-71.60000112.5G50 A51 L52 A57 C58 Q117G50-C54 PolarHBondContact O-N 3.46Å; G50-C54 PolarHBondContact O-SG 3.13Å; G50-C54 VanDerWaalsContact O-SG 3.35Å; A51-C54 PolarHBondContact O-N 3.38Å; L52-C54 PolarHBondContact O-N 3.4Å; C54-A57 PolarHBondContact O-N 2.9Å; C54-C58 WeakPolarHBondContact O-CB 3.3Å; C54-C58 PolarHBondContact O-N 3.03Å; C54-Q117 HydrophobicContact CB-CG 3.93Å
55C90.1Very high87.6Confident22 Ų2233.6 Ų33.615%0.14919%0.194CC..Hα-helixtrans-62.7-44.3173.9-750000111.3A51 L52 A53 C58 V59 L114A51-C55 PolarHBondContact O-N 3.13Å; A51-C55 PolarHBondContact O-SG 2.9Å; A51-C55 VanDerWaalsContact O-SG 3.41Å; L52-C55 WeakPolarHBondContact O-CB 3.14Å; L52-C55 PolarHBondContact O-N 3.38Å; L52-C55 VanDerWaalsContact O-N 3.16Å; A53-C55 VanDerWaalsContact C-N 3.35Å; A53-C55 PolarHBondContact O-N 3.14Å; C55-C58 VanDerWaalsContact O-CB 3.27Å; C55-C58 WeakPolarHBondContact O-CB 3.44Å; C55-C58 PolarHBondContact O-N 3.4Å; C55-V59 PolarHBondContact O-N 3.5Å; C55-L114 HydrophobicContact CB-CD2 3.81Å; C55-L114 WeakPolarHBondContact O-CD2 3.35Å
56A91.1Very high88.1Confident33 Ų3330.2 Ų30.227%0.27318%0.177SC..Hα-helixtrans-61.7-45.4175.400000111.6L52 A53 C58 V59 F60 F325L52-A56 PolarHBondContact O-N 2.96Å; A53-A56 PolarHBondContact O-N 3.32Å; A56-C58 VanDerWaalsContact C-N 3.26Å; A56-C58 PolarHBondContact O-N 3.45Å; A56-V59 WeakPolarHBondContact O-CB 3.36Å; A56-V59 PolarHBondContact O-N 3.36Å; A56-F60 WeakPolarHBondContact O-CD2 3.25Å; A56-F325 HydrophobicContact CB-CD2 3.52Å; A56-F325 HydrophobicContact CB-CE2 3.77Å; A56-F325 HydrophobicContact CB-CG 3.96Å; A56-F325 HydrophobicContact CB-CZ 4.4Å
57A89.2Confident88.7Confident0 Ų028.5 Ų28.50%017%0.167CC..Hα-helixtrans-62.6-32.4174.600000112.7A53 C54 V59 F60 T61 L321 S322 F325A53-A57 WeakPolarHBondContact O-CB 3.35Å; A53-A57 PolarHBondContact O-N 3.21Å; C54-A57 PolarHBondContact O-N 2.9Å; A57-V59 VanDerWaalsContact C-N 3.3Å; A57-V59 PolarHBondContact O-N 3.18Å; A57-F60 PolarHBondContact O-N 3.41Å; A57-T61 WeakPolarHBondContact O-CB 3.19Å; A57-T61 WeakPolarHBondContact O-CG2 3.2Å; A57-T61 PolarHBondContact O-N 3.25Å; A57-T61 VanDerWaalsContact O-N 3.1Å; A57-T61 PolarHBondContact O-OG1 3.44Å; A57-L321 HydrophobicContact CB-CB 3.86Å; A57-S322 WeakPolarHBondContact CB-OG 3.12Å; A57-F325 HydrophobicContact CB-CD2 4.38Å
58C88.9Confident89.4Confident6 Ų626.1 Ų26.14%0.04116%0.157CC..Hα-helixtrans-60.7-38.3176-168.80000111.7C54 C55 A56 F60 T61 N62 L114C54-C58 WeakPolarHBondContact O-CB 3.3Å; C54-C58 PolarHBondContact O-N 3.03Å; C55-C58 VanDerWaalsContact O-CB 3.27Å; C55-C58 WeakPolarHBondContact O-CB 3.44Å; C55-C58 PolarHBondContact O-N 3.4Å; A56-C58 VanDerWaalsContact C-N 3.26Å; A56-C58 PolarHBondContact O-N 3.45Å; C58-F60 VanDerWaalsContact C-N 3.28Å; C58-F60 PolarHBondContact O-N 3.1Å; C58-T61 WeakPolarHBondContact CA-OG1 3.48Å; C58-T61 PolarHBondContact O-N 3.21Å; C58-T61 VanDerWaalsContact O-N 3.11Å; C58-N62 VanDerWaalsContact O-CB 3.27Å; C58-N62 WeakPolarHBondContact O-CB 3.33Å; C58-N62 PolarHBondContact O-N 3.41Å; C58-L114 HydrophobicContact CB-CD2 4.21Å
59V92.6Very high89.8Confident54 Ų5424.1 Ų24.133%0.32714%0.14SC..Hα-helixtrans-55.9-42.9177.4-179.60000111.7C55 A56 A57 Q107 L110C55-V59 PolarHBondContact O-N 3.5Å; A56-V59 WeakPolarHBondContact O-CB 3.36Å; A56-V59 PolarHBondContact O-N 3.36Å; A57-V59 VanDerWaalsContact C-N 3.3Å; A57-V59 PolarHBondContact O-N 3.18Å; V59-Q107 PolarHBondContact O-NE2 2.83Å; V59-L110 HydrophobicContact CG1-CD2 4.46Å; V59-L110 HydrophobicContact CG2-CD1 4.32Å; V59-L110 HydrophobicContact CG2-CD2 4.45Å
60F91.2Very high90.1Very high131 Ų13123.4 Ų23.458%0.57514%0.136SC*.Hα-helixtrans-78.9-27179.7-64.7-82.7000113.4A56 A57 C58 L321 F325A56-F60 WeakPolarHBondContact O-CD2 3.25Å; A57-F60 PolarHBondContact O-N 3.41Å; C58-F60 VanDerWaalsContact C-N 3.28Å; C58-F60 PolarHBondContact O-N 3.1Å; F60-L321 HydrophobicContact CB-CD1 3.66Å; F60-L321 HydrophobicContact CD2-CD1 4.29Å; F60-L321 HydrophobicContact CG-CD1 4.08Å; F60-F325 HydrophobicContact CD2-CE2 4.06Å; F60-F325 HydrophobicContact CD2-CZ 4.13Å; F60-F325 AromaticContact CE2-CE2 3.96Å; F60-F325 HydrophobicContact CE2-CE2 3.96Å; F60-F325 AromaticContact CE2-CZ 3.6Å; F60-F325 HydrophobicContact CE2-CZ 3.6Å; F60-F325 HydrophobicContact CZ-CZ 4.43Å
61T90.5Very high90.5Very high2 Ų223.4 Ų23.41%0.01213%0.132CC..Hα-helixtrans-99.3-10.3-172.753.20000114A57 C58 P63 L64 E65 P317 H318A57-T61 WeakPolarHBondContact O-CB 3.19Å; A57-T61 WeakPolarHBondContact O-CG2 3.2Å; A57-T61 PolarHBondContact O-N 3.25Å; A57-T61 VanDerWaalsContact O-N 3.1Å; A57-T61 PolarHBondContact O-OG1 3.44Å; C58-T61 WeakPolarHBondContact CA-OG1 3.48Å; C58-T61 PolarHBondContact O-N 3.21Å; C58-T61 VanDerWaalsContact O-N 3.11Å; T61-P63 VanDerWaalsContact C-CD 3.49Å; T61-L64 WeakPolarHBondContact O-CB 3.37Å; T61-L64 PolarHBondContact O-N 2.85Å; T61-L64 VanDerWaalsContact O-N 3.1Å; T61-E65 PolarHBondContact O-N 3.09Å; T61-P317 HydrophobicContact CG2-CG 4.48Å; T61-H318 HydrophobicContact CG2-CB 3.87Å; T61-H318 PolarHBondContact OG1-ND1 3.45Å; T61-H318 VanDerWaalsContact OG1-ND1 3.11Å
62N92.9Very high90.8Very high0 Ų022.5 Ų22.50%012%0.124CC..Hα-helixtrans-58.7-36.4178.4-172.453.8000114.4C58 L64 E65 V66 Q107 K108 L110 Q169C58-N62 VanDerWaalsContact O-CB 3.27Å; C58-N62 WeakPolarHBondContact O-CB 3.33Å; C58-N62 PolarHBondContact O-N 3.41Å; N62-L64 VanDerWaalsContact C-N 3.25Å; N62-L64 PolarHBondContact O-N 3.4Å; N62-E65 WeakPolarHBondContact O-CA 3.27Å; N62-E65 WeakPolarHBondContact O-CB 3.32Å; N62-E65 PolarHBondContact O-N 3.31Å; N62-V66 PolarHBondContact O-N 3.3Å; N62-Q107 VanDerWaalsContact ND2-CA 3.32Å; N62-Q107 WeakPolarHBondContact ND2-CA 3.45Å; N62-Q107 PolarHBondContact ND2-O 2.91Å; N62-Q107 VanDerWaalsContact ND2-O 3.14Å; N62-Q107 PolarHBondContact ND2-OE1 3.08Å; N62-K108 PolarHBondContact ND2-O 2.99Å; N62-L110 HydrophobicContact CB-CD1 3.94Å; N62-L110 WeakPolarHBondContact ND2-CB 3.36Å; N62-Q169 PolarHBondContact OD1-NE2 2.86Å
63P93Very high90.8Very high26 Ų2617.9 Ų17.917%0.16910%0.1CC..Hα-helixtrans-55.2-38.2172-29.237.8000114.2T61 E65 V67 L94 L106T61-P63 VanDerWaalsContact C-CD 3.49Å; P63-E65 VanDerWaalsContact C-N 3.32Å; P63-V67 PolarHBondContact O-N 2.99Å; P63-L94 HydrophobicContact CB-CD2 4.13Å; P63-L106 VanDerWaalsContact CA-O 3.23Å; P63-L106 WeakPolarHBondContact CA-O 3.49Å; P63-L106 HydrophobicContact CB-CB 4.15Å; P63-L106 HydrophobicContact CB-CD2 4.29Å; P63-L106 HydrophobicContact CG-CB 4.35Å
64L91.8Very high90.7Very high21 Ų2118.3 Ų18.311%0.1110%0.102CC..Hα-helixtrans-72.6-28.5176.4-64.3172.3000111.8T61 N62 K68 V90 L94 L313 R314 P317T61-L64 WeakPolarHBondContact O-CB 3.37Å; T61-L64 PolarHBondContact O-N 2.85Å; T61-L64 VanDerWaalsContact O-N 3.1Å; N62-L64 VanDerWaalsContact C-N 3.25Å; N62-L64 PolarHBondContact O-N 3.4Å; L64-K68 VanDerWaalsContact O-CB 3.28Å; L64-K68 WeakPolarHBondContact O-CB 3.31Å; L64-K68 PolarHBondContact O-N 2.94Å; L64-V90 HydrophobicContact CD2-CG1 4.07Å; L64-L94 HydrophobicContact CD2-CD1 3.94Å; L64-L94 HydrophobicContact CD2-CD2 4.4Å; L64-L313 HydrophobicContact CD1-CG 4.4Å; L64-L313 HydrophobicContact CD2-CD2 3.92Å; L64-L313 HydrophobicContact CD2-CG 4.35Å; L64-R314 HydrophobicContact CB-CB 3.97Å; L64-R314 HydrophobicContact CB-CG 4.11Å; L64-R314 HydrophobicContact CD1-CB 4.03Å; L64-R314 HydrophobicContact CD1-CG 4.41Å; L64-P317 HydrophobicContact CD1-CG 4.4Å
65E90.5Very high90.5Very high21 Ų2117.7 Ų17.710%0.09810%0.099CC..Hα-helixtrans-71.1-41.8174-64-166.5146.300112.3T61 N62 P63 V67 K68 T69 K165 R314T61-E65 PolarHBondContact O-N 3.09Å; N62-E65 WeakPolarHBondContact O-CA 3.27Å; N62-E65 WeakPolarHBondContact O-CB 3.32Å; N62-E65 PolarHBondContact O-N 3.31Å; P63-E65 VanDerWaalsContact C-N 3.32Å; E65-V67 VanDerWaalsContact C-N 3.32Å; E65-V67 PolarHBondContact O-N 3.18Å; E65-K68 WeakPolarHBondContact O-CB 3.42Å; E65-K68 PolarHBondContact O-N 3.21Å; E65-T69 WeakPolarHBondContact O-CG2 3.31Å; E65-T69 PolarHBondContact O-N 3.47Å; E65-T69 PolarHBondContact O-OG1 2.83Å; E65-K165 IonicContact OE1-NZ 2.62Å; E65-K165 WeakPolarHBondContact OE2-CE 3.49Å; E65-K165 IonicContact OE2-NZ 3.97Å; E65-K165 PolarHBondContact OE2-NZ 2.94Å; E65-R314 HydrophobicContact CG-CG 4.5Å; E65-R314 IonicContact OE1-CZ 3.64Å; E65-R314 IonicContact OE1-NE 3.05Å; E65-R314 IonicContact OE1-NH1 2.65Å; E65-R314 PolarHBondContact OE1-NH1 3.04Å
66V91.8Very high90.1Very high0 Ų017.9 Ų17.90%010%0.098CC..Hα-helixtrans-59-45.4173.3175.10000110.7N62 T69 R70 V97 L106 K108 Q169N62-V66 PolarHBondContact O-N 3.3Å; V66-T69 PolarHBondContact O-N 2.75Å; V66-T69 PolarHBondContact O-OG1 2.96Å; V66-R70 WeakPolarHBondContact O-CG 3.01Å; V66-R70 PolarHBondContact O-N 2.98Å; V66-V97 HydrophobicContact CG1-CG1 4.49Å; V66-L106 WeakPolarHBondContact CG2-O 3.24Å; V66-K108 HydrophobicContact CG2-CB 4.49Å; V66-Q169 HydrophobicContact CG2-CB 4.39Å; V66-Q169 HydrophobicContact CG2-CG 3.97Å
67V92.5Very high89.6Confident0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-66.6-38.7177.61650000111.8P63 E65 L71 V90 A93 L94 P310P63-V67 PolarHBondContact O-N 2.99Å; E65-V67 VanDerWaalsContact C-N 3.32Å; E65-V67 PolarHBondContact O-N 3.18Å; V67-L71 HydrophobicContact CG1-CD1 3.68Å; V67-L71 HydrophobicContact CG1-CG 4.48Å; V67-L71 WeakPolarHBondContact O-CB 3.49Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 3.2Å; V67-V90 HydrophobicContact CG1-CG1 4.06Å; V67-A93 HydrophobicContact CB-CB 4.32Å; V67-A93 HydrophobicContact CG1-CB 3.49Å; V67-A93 VanDerWaalsContact CG1-CB 3.49Å; V67-A93 HydrophobicContact CG2-CB 3.97Å; V67-L94 HydrophobicContact CB-CD2 4.48Å; V67-L94 HydrophobicContact CG2-CD2 3.62Å; V67-L94 HydrophobicContact CG2-CG 3.89Å; V67-P310 HydrophobicContact CG1-CG 4.2Å
68K92.4Very high89.3Confident10 Ų1025.9 Ų25.94%0.04313%0.125CC..Hα-helixtrans-57.8-55.1174.5177.9-168.6171.3177.80110.8L64 E65 R70 L71 Q72 D265 P310 V311L64-K68 VanDerWaalsContact O-CB 3.28Å; L64-K68 WeakPolarHBondContact O-CB 3.31Å; L64-K68 PolarHBondContact O-N 2.94Å; E65-K68 WeakPolarHBondContact O-CB 3.42Å; E65-K68 PolarHBondContact O-N 3.21Å; K68-R70 VanDerWaalsContact C-N 3.32Å; K68-R70 PolarHBondContact O-N 3.19Å; K68-L71 PolarHBondContact O-N 3.21Å; K68-Q72 VanDerWaalsContact CE-NE2 3.26Å; K68-Q72 HydrophobicContact CG-CG 4.31Å; K68-Q72 WeakPolarHBondContact O-CB 3.13Å; K68-Q72 VanDerWaalsContact O-CG 3.25Å; K68-Q72 WeakPolarHBondContact O-CG 3.38Å; K68-Q72 PolarHBondContact O-N 3.41Å; K68-D265 WeakPolarHBondContact CE-OD2 3.46Å; K68-D265 IonicContact NZ-OD2 3.95Å; K68-D265 PolarHBondContact NZ-OD2 3.39Å; K68-P310 HydrophobicContact CB-CB 3.75Å; K68-P310 HydrophobicContact CG-CB 4.35Å; K68-V311 HydrophobicContact CD-CG2 3.64Å; K68-V311 HydrophobicContact CG-CG2 4.11Å
69T91.5Very high88.6Confident3 Ų328.1 Ų28.12%0.01814%0.144CC..Hα-helixtrans-59.7-44.2-175.752.30000111.3E65 V66 L71 Q72 L73 Q169 T269E65-T69 WeakPolarHBondContact O-CG2 3.31Å; E65-T69 PolarHBondContact O-N 3.47Å; E65-T69 PolarHBondContact O-OG1 2.83Å; V66-T69 PolarHBondContact O-N 2.75Å; V66-T69 PolarHBondContact O-OG1 2.96Å; T69-L71 PolarHBondContact O-N 3.21Å; T69-Q72 PolarHBondContact O-N 3.38Å; T69-L73 VanDerWaalsContact O-CG 3.29Å; T69-L73 WeakPolarHBondContact O-CG 3.3Å; T69-L73 PolarHBondContact O-N 2.88Å; T69-Q169 HydrophobicContact CG2-CB 4.13Å; T69-Q169 VanDerWaalsContact CG2-OE1 3.25Å; T69-Q169 WeakPolarHBondContact OG1-CB 3.28Å; T69-T269 HydrophobicContact CG2-CG2 4.38Å
70R92.1Very high87.7Confident1 Ų132.4 Ų32.40%0.00415%0.154CC..Hα-helixtrans-63-44.1177.1-67179.6-171.7-160.26.5112.8V66 K68 Q72 L73 Q74 Y87 D101 Q169 Q171 T172 V178V66-R70 WeakPolarHBondContact O-CG 3.01Å; V66-R70 PolarHBondContact O-N 2.98Å; K68-R70 VanDerWaalsContact C-N 3.32Å; K68-R70 PolarHBondContact O-N 3.19Å; R70-Q72 VanDerWaalsContact C-N 3.3Å; R70-Q72 PolarHBondContact O-N 3.19Å; R70-L73 PolarHBondContact O-N 2.87Å; R70-Q74 PolarHBondContact O-N 3.42Å; R70-Y87 HydrophobicContact CB-CD2 4.42Å; R70-Y87 HydrophobicContact CB-CE2 4Å; R70-D101 IonicContact CZ-OD2 2.7Å; R70-D101 VanDerWaalsContact CZ-OD2 3.29Å; R70-D101 IonicContact NH1-OD2 2.89Å; R70-D101 PolarHBondContact NH1-OD2 3.35Å; R70-D101 IonicContact NH2-OD2 3.14Å; R70-D101 PolarHBondContact NH2-OD2 3.1Å; R70-Q169 PolarHBondContact NE-O 3.23Å; R70-Q171 PolarHBondContact NH2-O 2.98Å; R70-Q171 VanDerWaalsContact NH2-O 3.07Å; R70-T172 VanDerWaalsContact NH1-CB 3.31Å; R70-T172 PolarHBondContact NH1-OG1 3.41Å; R70-V178 HydrophobicContact CB-CG2 3.8Å; R70-V178 HydrophobicContact CG-CG2 4.11Å; R70-V178 WeakPolarHBondContact O-CG2 3.12Å
71L91.1Very high86.8Confident18 Ų1829.6 Ų29.69%0.09416%0.162CC..Hα-helixtrans-64.4-33.4176.1-83.4165.9000112.8V67 K68 T69 Y87 A93 P310V67-L71 HydrophobicContact CG1-CD1 3.68Å; V67-L71 HydrophobicContact CG1-CG 4.48Å; V67-L71 WeakPolarHBondContact O-CB 3.49Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 3.2Å; K68-L71 PolarHBondContact O-N 3.21Å; T69-L71 PolarHBondContact O-N 3.21Å; L71-Y87 VanDerWaalsContact CD2-CB 3.49Å; L71-A93 HydrophobicContact CD1-CB 4.45Å; L71-P310 HydrophobicContact CD1-CG 3.46Å; L71-P310 VanDerWaalsContact CD1-CG 3.46Å
72Q89.8Confident86.2Confident0 Ų033.2 Ų33.20%019%0.187CC..Hα-helixtrans-72.6-31.5177.9-71.2-173.4-31.800113.1K68 T69 R70 V266 T269 R270 K306K68-Q72 VanDerWaalsContact CE-NE2 3.26Å; K68-Q72 HydrophobicContact CG-CG 4.31Å; K68-Q72 WeakPolarHBondContact O-CB 3.13Å; K68-Q72 VanDerWaalsContact O-CG 3.25Å; K68-Q72 WeakPolarHBondContact O-CG 3.38Å; K68-Q72 PolarHBondContact O-N 3.41Å; T69-Q72 PolarHBondContact O-N 3.38Å; R70-Q72 VanDerWaalsContact C-N 3.3Å; R70-Q72 PolarHBondContact O-N 3.19Å; Q72-V266 HydrophobicContact CB-CG2 4.46Å; Q72-V266 HydrophobicContact CG-CG2 3.94Å; Q72-T269 HydrophobicContact CB-CG2 4.18Å; Q72-T269 PolarHBondContact OE1-OG1 3.06Å; Q72-R270 PolarHBondContact O-NE 3.42Å; Q72-R270 VanDerWaalsContact O-NE 3.15Å; Q72-R270 PolarHBondContact O-NH2 3.01Å; Q72-K306 WeakPolarHBondContact CG-O 3.38Å
73L89.3Confident85.7Confident1 Ų134.7 Ų34.71%0.00519%0.193CC..Hα-helixtrans-86.1-16.4177.6-65171.3000113.3T69 R70 G75 E76 A170 V178 T269 R270 N273T69-L73 VanDerWaalsContact O-CG 3.29Å; T69-L73 WeakPolarHBondContact O-CG 3.3Å; T69-L73 PolarHBondContact O-N 2.88Å; R70-L73 PolarHBondContact O-N 2.87Å; L73-G75 PolarHBondContact O-N 2.76Å; L73-E76 WeakPolarHBondContact O-CB 3.27Å; L73-E76 PolarHBondContact O-N 3.24Å; L73-A170 HydrophobicContact CD1-CB 3.52Å; L73-V178 HydrophobicContact CB-CG2 4.39Å; L73-T269 HydrophobicContact CD1-CG2 4.44Å; L73-T269 HydrophobicContact CD2-CG2 4.08Å; L73-T269 HydrophobicContact CG-CG2 4.04Å; L73-R270 HydrophobicContact CD2-CG 4.04Å; L73-N273 HydrophobicContact CD1-CB 3.98Å; L73-N273 WeakPolarHBondContact CD1-ND2 3.13Å; L73-N273 HydrophobicContact CD2-CB 3.65Å; L73-N273 HydrophobicContact CG-CB 4.47Å
74Q87Confident85Confident10 Ų1040.8 Ų40.85%0.04722%0.219CC..THydrogen-bonded Turntrans-65.2123-179.1-175.1177-99.700112.1R70 Y83 Y87 V178 K306R70-Q74 PolarHBondContact O-N 3.42Å; Q74-Y83 HydrophobicContact CG-CD2 4.3Å; Q74-Y83 HydrophobicContact CG-CE2 3.73Å; Q74-Y87 PolarHBondContact NE2-O 3.43Å; Q74-Y87 VanDerWaalsContact OE1-CD2 3.31Å; Q74-V178 HydrophobicContact CB-CB 4.48Å; Q74-V178 HydrophobicContact CB-CG1 4.05Å; Q74-V178 HydrophobicContact CG-CG1 4.11Å; Q74-K306 PolarHBondContact O-NZ 2.76Å
75G80.6Confident84.6Confident12 Ų1244.5 Ų44.512%0.12424%0.238CC..THydrogen-bonded Turntrans72.431.118000000113.1L73 L77 R78 E299L73-G75 PolarHBondContact O-N 2.76Å; G75-L77 PolarHBondContact O-N 3.45Å; G75-R78 PolarHBondContact O-N 3.31Å; G75-R78 VanDerWaalsContact O-N 3.16Å; G75-E299 VanDerWaalsContact O-CD 3.3Å
76E83.4Confident84.3Confident26 Ų2646.1 Ų46.112%0.12125%0.246CC..THydrogen-bonded Turntrans-54.3122.4175.7175.5169.3-128.200111.7L73 R78 R270 Y285L73-E76 WeakPolarHBondContact O-CB 3.27Å; L73-E76 PolarHBondContact O-N 3.24Å; E76-R78 PolarHBondContact O-N 3.29Å; E76-R270 WeakPolarHBondContact OE1-CG 3.06Å; E76-Y285 WeakPolarHBondContact OE1-CE2 3.23Å
77L80.7Confident84Confident56 Ų5646.2 Ų46.229%0.29325%0.246SC..THydrogen-bonded Turntrans58.123.7-178.6-61.9-178.8000114.8G75 L284 Y285 K294 A298 E299G75-L77 PolarHBondContact O-N 3.45Å; L77-L284 HydrophobicContact CD1-CB 4.27Å; L77-L284 HydrophobicContact CD1-CD2 3.91Å; L77-Y285 HydrophobicContact CD1-CE1 4.18Å; L77-Y285 HydrophobicContact CD2-CE1 3.77Å; L77-Y285 WeakPolarHBondContact CD2-OH 3.5Å; L77-Y285 HydrophobicContact CG-CE1 4.23Å; L77-Y285 WeakPolarHBondContact CG-OH 3.08Å; L77-K294 HydrophobicContact CD2-CB 3.79Å; L77-A298 HydrophobicContact CD2-CB 4.43Å; L77-E299 PolarHBondContact N-OE1 3.02Å
78R81.6Confident83.7Confident146 Ų14656.4 Ų56.455%0.55128%0.284SS*.  trans-117.3137.1176.2-65.4-173.6-175.1-172.94.1111G75 E76 Y83 E299G75-R78 PolarHBondContact O-N 3.31Å; G75-R78 VanDerWaalsContact O-N 3.16Å; E76-R78 PolarHBondContact O-N 3.29Å; R78-Y83 HydrophobicContact CB-CD1 3.86Å; R78-Y83 HydrophobicContact CB-CG 4.42Å; R78-E299 WeakPolarHBondContact O-CG 3.43Å
79A75.1Confident83.4Confident52 Ų5257.2 Ų57.243%0.4330%0.296SS..  trans-53.8147173.300000112.1G81 S82 Y83 A298A79-G81 PolarHBondContact O-N 3.41Å; A79-S82 PolarHBondContact N-OG 2.79Å; A79-S82 PolarHBondContact O-N 3.48Å; A79-S82 VanDerWaalsContact O-N 3.12Å; A79-S82 PolarHBondContact O-OG 3.49Å; A79-Y83 WeakPolarHBondContact O-CD1 3.41Å; A79-A298 VanDerWaalsContact CA-O 3.25Å; A79-A298 WeakPolarHBondContact CA-O 3.25Å
80R72.5Confident83.3Confident145 Ų14558.2 Ų58.255%0.54730%0.302SS..THydrogen-bonded Turntrans-58.7129.7175-90.8-179.2167.6-170.8-3.7110.1S82 L302R80-S82 VanDerWaalsContact C-N 3.34Å; R80-L302 VanDerWaalsContact NH1-CD1 3.27Å; R80-L302 VanDerWaalsContact NH2-CB 3.3Å
81G73.9Confident83.2Confident71 Ų7164.5 Ų64.573%0.73234%0.335SS*.THydrogen-bonded Turntrans87.6-9.5-179.500000115.1A79A79-G81 PolarHBondContact O-N 3.41Å
82S76.9Confident83.3Confident78 Ų7867.3 Ų67.355%0.54535%0.347SS..SBendtrans-91.32.9178.872.20000114.4A79 R80A79-S82 PolarHBondContact N-OG 2.79Å; A79-S82 PolarHBondContact O-N 3.48Å; A79-S82 VanDerWaalsContact O-N 3.12Å; A79-S82 PolarHBondContact O-OG 3.49Å; R80-S82 VanDerWaalsContact C-N 3.34Å
83Y81.6Confident83.3Confident32 Ų3267.3 Ų67.313%0.12535%0.347CS..SBendtrans-132.3153.9-177.967.8-93.9000111.4Q74 R78 A79 I85 K306Q74-Y83 HydrophobicContact CG-CD2 4.3Å; Q74-Y83 HydrophobicContact CG-CE2 3.73Å; R78-Y83 HydrophobicContact CB-CD1 3.86Å; R78-Y83 HydrophobicContact CB-CG 4.42Å; A79-Y83 WeakPolarHBondContact O-CD1 3.41Å; Y83-I85 HydrophobicContact CD2-CG1 4.5Å; Y83-I85 HydrophobicContact CE2-CG1 4.03Å; Y83-I85 PolarHBondContact O-N 2.88Å; Y83-K306 PolarHBondContact OH-NZ 3.41Å
84Q79.4Confident83.4Confident154 Ų15469.3 Ų69.372%0.7236%0.358SS*.  trans-71.3128.5176.9-67.7-151-1500111.8H86Q84-H86 PolarHBondContact O-N 3.49Å; Q84-H86 PolarHBondContact O-ND1 2.95Å
85I83.6Confident83.7Confident99 Ų9976.9 Ų76.951%0.50839%0.386SS..  trans-91.595.9-178.3-56.8172.5000108.4Y83 Y87 R88Y83-I85 HydrophobicContact CD2-CG1 4.5Å; Y83-I85 HydrophobicContact CE2-CG1 4.03Å; Y83-I85 PolarHBondContact O-N 2.88Å; I85-Y87 WeakPolarHBondContact CG2-O 3.34Å; I85-R88 HydrophobicContact CG2-CG 4.04Å
86H84.1Confident84.2Confident54 Ų5477 Ų7725%0.2539%0.385CS..SBendtrans-75.4-33.6175-58.294.6000111.6Q84 A175Q84-H86 PolarHBondContact O-N 3.49Å; Q84-H86 PolarHBondContact O-ND1 2.95Å; H86-A175 PolarHBondContact CD2-O 3.36Å
87Y85.8Confident84.5Confident3 Ų375.8 Ų75.81%0.01238%0.379CS..  trans-121.3108.5-175.4-52.7-69.8000110.1R70 L71 Q74 I85 A93 V96 V97 I176 V178R70-Y87 HydrophobicContact CB-CD2 4.42Å; R70-Y87 HydrophobicContact CB-CE2 4Å; L71-Y87 VanDerWaalsContact CD2-CB 3.49Å; Q74-Y87 PolarHBondContact NE2-O 3.43Å; Q74-Y87 VanDerWaalsContact OE1-CD2 3.31Å; I85-Y87 WeakPolarHBondContact CG2-O 3.34Å; Y87-A93 HydrophobicContact CD1-CB 3.52Å; Y87-A93 HydrophobicContact CE1-CB 4.31Å; Y87-A93 HydrophobicContact CG-CB 4.13Å; Y87-V96 HydrophobicContact CE1-CB 4.5Å; Y87-V96 HydrophobicContact CE1-CG1 4.14Å; Y87-V97 HydrophobicContact CE1-CG2 3.82Å; Y87-I176 WeakPolarHBondContact OH-CD1 3.45Å; Y87-I176 PolarHBondContact OH-O 2.9Å; Y87-V178 HydrophobicContact CD2-CG1 4.18Å; Y87-V178 HydrophobicContact CE2-CG1 3.79Å; Y87-V178 HydrophobicContact CE2-CG2 3.95Å
88R84.6Confident85Confident213 Ų21374.4 Ų74.480%0.80438%0.378SS*.SBendtrans-87-20.8179.8-57.7179.9100177.66113.4I85I85-R88 HydrophobicContact CG2-CG 4.04Å
89G87.3Confident85.4Confident27 Ų2776.9 Ų76.928%0.27839%0.387SS..SBendtrans-177.5-179.8-177.800000111.9A93G89-A93 WeakPolarHBondContact O-CB 3.1Å; G89-A93 PolarHBondContact O-N 3.39Å
90V88.3Confident86.1Confident25 Ų2577.6 Ų77.615%0.15239%0.386CS..Hα-helixtrans-65.6-50.5-172.7-164.40000112.1L64 V67 A93 L94 P310 L313L64-V90 HydrophobicContact CD2-CG1 4.07Å; V67-V90 HydrophobicContact CG1-CG1 4.06Å; V90-A93 PolarHBondContact O-N 3.31Å; V90-L94 HydrophobicContact CG1-CD1 4.48Å; V90-L94 WeakPolarHBondContact O-CG 3.39Å; V90-L94 PolarHBondContact O-N 2.87Å; V90-P310 HydrophobicContact CB-CG 4.42Å; V90-P310 HydrophobicContact CG1-CB 4.35Å; V90-P310 HydrophobicContact CG1-CG 4.15Å; V90-P310 HydrophobicContact CG2-CB 4.45Å; V90-P310 HydrophobicContact CG2-CG 3.66Å; V90-L313 HydrophobicContact CB-CD2 4.47Å; V90-L313 HydrophobicContact CG1-CD2 3.86Å
91L91.4Very high86.7Confident133 Ų13372 Ų7270%0.69637%0.367SS*.Hα-helixtrans-65.4-43.4-178.5-60.7179.3000111.5A93 L94 W95L91-A93 VanDerWaalsContact C-N 3.32Å; L91-A93 PolarHBondContact O-N 3.48Å; L91-L94 PolarHBondContact O-N 3.47Å; L91-W95 WeakPolarHBondContact O-CB 3.33Å; L91-W95 PolarHBondContact O-N 2.93Å
92H92.4Very high87.4Confident77 Ų7770 Ų7036%0.35635%0.346SS..Hα-helixtrans-61.5-42.2175.1-174.7-93.9000111.2W95 V96H92-W95 PolarHBondContact O-N 3.32Å; H92-V96 WeakPolarHBondContact CE1-CG2 3.46Å; H92-V96 WeakPolarHBondContact O-CB 3.48Å; H92-V96 VanDerWaalsContact O-CG2 3.27Å; H92-V96 WeakPolarHBondContact O-CG2 3.49Å; H92-V96 PolarHBondContact O-N 3.39Å
93A89.9Confident88Confident0 Ų073.1 Ų73.10%036%0.356CS..Hα-helixtrans-66.1-42.9177.600000112.5V67 L71 Y87 G89 V90 L91 W95 V96 V97V67-A93 HydrophobicContact CB-CB 4.32Å; V67-A93 HydrophobicContact CG1-CB 3.49Å; V67-A93 VanDerWaalsContact CG1-CB 3.49Å; V67-A93 HydrophobicContact CG2-CB 3.97Å; L71-A93 HydrophobicContact CD1-CB 4.45Å; Y87-A93 HydrophobicContact CD1-CB 3.52Å; Y87-A93 HydrophobicContact CE1-CB 4.31Å; Y87-A93 HydrophobicContact CG-CB 4.13Å; G89-A93 WeakPolarHBondContact O-CB 3.1Å; G89-A93 PolarHBondContact O-N 3.39Å; V90-A93 PolarHBondContact O-N 3.31Å; L91-A93 VanDerWaalsContact C-N 3.32Å; L91-A93 PolarHBondContact O-N 3.48Å; A93-W95 VanDerWaalsContact C-N 3.29Å; A93-W95 PolarHBondContact O-N 3.46Å; A93-V96 PolarHBondContact O-N 2.97Å; A93-V97 WeakPolarHBondContact O-CB 3.41Å; A93-V97 WeakPolarHBondContact O-CG2 3.46Å; A93-V97 PolarHBondContact O-N 3.39Å
94L92.1Very high88.2Confident42 Ų4282.5 Ų82.522%0.2239%0.391CS..Hα-helixtrans-57.6-44.3173.5-74.7170.5000111.5P63 L64 V67 V90 L91 G98 L106P63-L94 HydrophobicContact CB-CD2 4.13Å; L64-L94 HydrophobicContact CD2-CD1 3.94Å; L64-L94 HydrophobicContact CD2-CD2 4.4Å; V67-L94 HydrophobicContact CB-CD2 4.48Å; V67-L94 HydrophobicContact CG2-CD2 3.62Å; V67-L94 HydrophobicContact CG2-CG 3.89Å; V90-L94 HydrophobicContact CG1-CD1 4.48Å; V90-L94 WeakPolarHBondContact O-CG 3.39Å; V90-L94 PolarHBondContact O-N 2.87Å; L91-L94 PolarHBondContact O-N 3.47Å; L94-G98 PolarHBondContact O-N 3.21Å; L94-L106 HydrophobicContact CD2-CD2 3.85Å
95W92.4Very high88.5Confident169 Ų16975.2 Ų75.264%0.6436%0.357SS*.Hα-helixtrans-65.7-49.1178.4-177.684.6000112.2L91 H92 A93 V97 G98 R99L91-W95 WeakPolarHBondContact O-CB 3.33Å; L91-W95 PolarHBondContact O-N 2.93Å; H92-W95 PolarHBondContact O-N 3.32Å; A93-W95 VanDerWaalsContact C-N 3.29Å; A93-W95 PolarHBondContact O-N 3.46Å; W95-V97 PolarHBondContact O-N 3.39Å; W95-G98 PolarHBondContact O-N 3.16Å; W95-R99 VanDerWaalsContact O-CB 3.27Å; W95-R99 WeakPolarHBondContact O-CB 3.38Å; W95-R99 PolarHBondContact O-N 2.95Å
96V91.4Very high88.8Confident16 Ų1671.5 Ų71.510%0.09734%0.338CS..Hα-helixtrans-59.3-50.5178.81690000110.4Y87 H92 A93 R99 T100 I176Y87-V96 HydrophobicContact CE1-CB 4.5Å; Y87-V96 HydrophobicContact CE1-CG1 4.14Å; H92-V96 WeakPolarHBondContact CE1-CG2 3.46Å; H92-V96 WeakPolarHBondContact O-CB 3.48Å; H92-V96 VanDerWaalsContact O-CG2 3.27Å; H92-V96 WeakPolarHBondContact O-CG2 3.49Å; H92-V96 PolarHBondContact O-N 3.39Å; A93-V96 PolarHBondContact O-N 2.97Å; V96-R99 PolarHBondContact O-N 3Å; V96-T100 HydrophobicContact CG1-CG2 4.41Å; V96-T100 WeakPolarHBondContact O-CB 3.29Å; V96-T100 WeakPolarHBondContact O-CG2 3.47Å; V96-T100 PolarHBondContact O-N 2.97Å; V96-T100 PolarHBondContact O-OG1 3.4Å; V96-I176 HydrophobicContact CG1-CD1 4.2Å; V96-I176 HydrophobicContact CG1-CG2 3.94Å
97V90.2Very high89.3Confident0 Ų071.7 Ų71.70%034%0.339CS..Hα-helixtrans-64.1-43.3-179.9177.50000111.1V66 Y87 A93 W95 R99 T100 D101 G102 L106V66-V97 HydrophobicContact CG1-CG1 4.49Å; Y87-V97 HydrophobicContact CE1-CG2 3.82Å; A93-V97 WeakPolarHBondContact O-CB 3.41Å; A93-V97 WeakPolarHBondContact O-CG2 3.46Å; A93-V97 PolarHBondContact O-N 3.39Å; W95-V97 PolarHBondContact O-N 3.39Å; V97-R99 VanDerWaalsContact C-N 3.29Å; V97-R99 PolarHBondContact O-N 3.07Å; V97-T100 PolarHBondContact O-N 3.18Å; V97-D101 HydrophobicContact CG1-CB 4.25Å; V97-D101 PolarHBondContact O-N 3.38Å; V97-G102 PolarHBondContact O-N 2.71Å; V97-L106 HydrophobicContact CB-CD2 3.96Å; V97-L106 HydrophobicContact CG1-CD2 3.75Å; V97-L106 HydrophobicContact CG1-CG 4.05Å
98G90.6Very high89.5Confident26 Ų2674.6 Ų74.627%0.26835%0.352SS..Hα-helixtrans-63.7-33.5177.300000113.4L94 W95 G102L94-G98 PolarHBondContact O-N 3.21Å; W95-G98 PolarHBondContact O-N 3.16Å; G98-G102 WeakPolarHBondContact O-CA 3.24Å; G98-G102 PolarHBondContact O-N 2.92Å
99R90.2Very high89.7Confident199 Ų19964.7 Ų64.775%0.75132%0.316SS*.Hα-helixtrans-78.5-35.1178.5-170.369.9178168.62.3112.9W95 V96 V97W95-R99 VanDerWaalsContact O-CB 3.27Å; W95-R99 WeakPolarHBondContact O-CB 3.38Å; W95-R99 PolarHBondContact O-N 2.95Å; V96-R99 PolarHBondContact O-N 3Å; V97-R99 VanDerWaalsContact C-N 3.29Å; V97-R99 PolarHBondContact O-N 3.07Å
100T89Confident90Very high66 Ų6665.1 Ų65.141%0.40531%0.312SS..Hα-helixtrans-95-52.1-172.951.60000113V96 V97 I176V96-T100 HydrophobicContact CG1-CG2 4.41Å; V96-T100 WeakPolarHBondContact O-CB 3.29Å; V96-T100 WeakPolarHBondContact O-CG2 3.47Å; V96-T100 PolarHBondContact O-N 2.97Å; V96-T100 PolarHBondContact O-OG1 3.4Å; V97-T100 PolarHBondContact O-N 3.18Å; T100-I176 HydrophobicContact CG2-CD1 4.37Å; T100-I176 WeakPolarHBondContact OG1-CD1 3.35Å
101D85.8Confident90.2Very high29 Ų2967 Ų6716%0.15533%0.326CS..THydrogen-bonded Turntrans-92.2-7.9179.6-69.8-12.2000112.6R70 V97 G105 K108 T172 V173R70-D101 IonicContact CZ-OD2 2.7Å; R70-D101 VanDerWaalsContact CZ-OD2 3.29Å; R70-D101 IonicContact NH1-OD2 2.89Å; R70-D101 PolarHBondContact NH1-OD2 3.35Å; R70-D101 IonicContact NH2-OD2 3.14Å; R70-D101 PolarHBondContact NH2-OD2 3.1Å; V97-D101 HydrophobicContact CG1-CB 4.25Å; V97-D101 PolarHBondContact O-N 3.38Å; D101-G105 PolarHBondContact O-N 3.44Å; D101-K108 IonicContact OD2-NZ 2.76Å; D101-T172 PolarHBondContact OD1-OG1 2.94Å; D101-T172 WeakPolarHBondContact OD2-CB 3.49Å; D101-T172 PolarHBondContact OD2-OG1 2.86Å; D101-V173 PolarHBondContact OD1-N 3.02Å
102G89.3Confident90.2Very high27 Ų2760.6 Ų60.628%0.27829%0.293SS..Hα-helixtrans73.6-177.5-176.100000114.1V97 G98 R104 G105 L106V97-G102 PolarHBondContact O-N 2.71Å; G98-G102 WeakPolarHBondContact O-CA 3.24Å; G98-G102 PolarHBondContact O-N 2.92Å; G102-R104 VanDerWaalsContact C-N 3.26Å; G102-R104 PolarHBondContact O-N 2.86Å; G102-G105 WeakPolarHBondContact O-CA 3.4Å; G102-G105 PolarHBondContact O-N 3Å; G102-L106 PolarHBondContact O-N 3.06Å
103L88.3Confident90.1Very high144 Ų14457 Ų5775%0.75428%0.276SS*.Hα-helixtrans-63-31.2179.2-66.2176.4000113G105 L106 Q107L103-G105 VanDerWaalsContact C-N 3.32Å; L103-L106 HydrophobicContact CD2-CD1 4.4Å; L103-L106 PolarHBondContact O-N 2.99Å; L103-Q107 PolarHBondContact O-N 3.39Å
104R86.8Confident90.2Very high230 Ų23059.6 Ų59.687%0.86829%0.29SS*.Hα-helixtrans-68.3-32.9173.5-70.7-177.5174.9172.7-1.4111.8G102 Q107 K108G102-R104 VanDerWaalsContact C-N 3.26Å; G102-R104 PolarHBondContact O-N 2.86Å; R104-Q107 CarbonylContact O-C 3.52Å; R104-Q107 PolarHBondContact O-N 3.25Å; R104-Q107 VanDerWaalsContact O-N 3.11Å; R104-K108 PolarHBondContact O-N 3.24Å
105G85.5Confident90.2Very high1 Ų161.2 Ų61.21%0.0130%0.298CS..Hα-helixtrans-58-44.9172.200000113.5D101 G102 L103 Q107 K108D101-G105 PolarHBondContact O-N 3.44Å; G102-G105 WeakPolarHBondContact O-CA 3.4Å; G102-G105 PolarHBondContact O-N 3Å; L103-G105 VanDerWaalsContact C-N 3.32Å; G105-Q107 PolarHBondContact O-N 3.45Å; G105-K108 WeakPolarHBondContact O-CB 3.17Å; G105-K108 WeakPolarHBondContact O-CG 3.4Å; G105-K108 PolarHBondContact O-N 2.93Å
106L89.7Confident90.1Very high20 Ų2054.8 Ų54.811%0.10527%0.274CS..Hα-helixtrans-66-20.6175.7-72.3167.9000113.1P63 V66 L94 V97 G102 L103P63-L106 VanDerWaalsContact CA-O 3.23Å; P63-L106 WeakPolarHBondContact CA-O 3.49Å; P63-L106 HydrophobicContact CB-CB 4.15Å; P63-L106 HydrophobicContact CB-CD2 4.29Å; P63-L106 HydrophobicContact CG-CB 4.35Å; V66-L106 WeakPolarHBondContact CG2-O 3.24Å; L94-L106 HydrophobicContact CD2-CD2 3.85Å; V97-L106 HydrophobicContact CB-CD2 3.96Å; V97-L106 HydrophobicContact CG1-CD2 3.75Å; V97-L106 HydrophobicContact CG1-CG 4.05Å; G102-L106 PolarHBondContact O-N 3.06Å; L103-L106 HydrophobicContact CD2-CD1 4.4Å; L103-L106 PolarHBondContact O-N 2.99Å
107Q93.5Very high90Very high59 Ų5955.5 Ų55.528%0.27628%0.276SS..THydrogen-bonded Turntrans-101.710.9178.1-73.4-69.10.400113.8V59 N62 L103 R104 G105 G109 L110V59-Q107 PolarHBondContact O-NE2 2.83Å; N62-Q107 VanDerWaalsContact ND2-CA 3.32Å; N62-Q107 WeakPolarHBondContact ND2-CA 3.45Å; N62-Q107 PolarHBondContact ND2-O 2.91Å; N62-Q107 VanDerWaalsContact ND2-O 3.14Å; N62-Q107 PolarHBondContact ND2-OE1 3.08Å; L103-Q107 PolarHBondContact O-N 3.39Å; R104-Q107 CarbonylContact O-C 3.52Å; R104-Q107 PolarHBondContact O-N 3.25Å; R104-Q107 VanDerWaalsContact O-N 3.11Å; G105-Q107 PolarHBondContact O-N 3.45Å; Q107-G109 PolarHBondContact O-N 2.91Å; Q107-L110 WeakPolarHBondContact O-CB 3.46Å; Q107-L110 PolarHBondContact O-N 3.44Å
108K90.8Very high89.8Confident63 Ų6358.1 Ų58.127%0.27430%0.298SS..THydrogen-bonded Turntrans-57.4141.4177-76.7-175.2-176.6-175.40111.4N62 V66 D101 R104 G105 L110 L168 Q169 Q171N62-K108 PolarHBondContact ND2-O 2.99Å; V66-K108 HydrophobicContact CG2-CB 4.49Å; D101-K108 IonicContact OD2-NZ 2.76Å; R104-K108 PolarHBondContact O-N 3.24Å; G105-K108 WeakPolarHBondContact O-CB 3.17Å; G105-K108 WeakPolarHBondContact O-CG 3.4Å; G105-K108 PolarHBondContact O-N 2.93Å; K108-L110 PolarHBondContact O-N 3.26Å; K108-L168 WeakPolarHBondContact CB-O 3.19Å; K108-L168 WeakPolarHBondContact CD-O 3.32Å; K108-Q169 WeakPolarHBondContact O-CG 3.49Å; K108-Q171 WeakPolarHBondContact CD-O 3.11Å; K108-Q171 PolarHBondContact NZ-O 3.39Å
109G89.8Confident89.8Confident6 Ų659.2 Ų59.26%0.06230%0.299CS..THydrogen-bonded Turntrans72.14.9-179.800000115.6Q107 S111 A112 G113Q107-G109 PolarHBondContact O-N 2.91Å; G109-S111 PolarHBondContact O-N 3Å; G109-A112 PolarHBondContact O-N 2.87Å; G109-G113 PolarHBondContact O-N 3.33Å
110L92.5Very high89.6Confident35 Ų3550.4 Ų50.418%0.18327%0.267CS..Hα-helixtrans-55.2-50.9-179.8178.361.2000112V59 N62 Q107 K108 A112 G113 L114V59-L110 HydrophobicContact CG1-CD2 4.46Å; V59-L110 HydrophobicContact CG2-CD1 4.32Å; V59-L110 HydrophobicContact CG2-CD2 4.45Å; N62-L110 HydrophobicContact CB-CD1 3.94Å; N62-L110 WeakPolarHBondContact ND2-CB 3.36Å; Q107-L110 WeakPolarHBondContact O-CB 3.46Å; Q107-L110 PolarHBondContact O-N 3.44Å; K108-L110 PolarHBondContact O-N 3.26Å; L110-A112 PolarHBondContact O-N 3.24Å; L110-G113 CarbonylContact O-C 3.49Å; L110-G113 WeakPolarHBondContact O-CA 3.38Å; L110-G113 PolarHBondContact O-N 3.27Å; L110-L114 HydrophobicContact CD1-CD2 4.44Å; L110-L114 HydrophobicContact CD1-CG 4.23Å; L110-L114 HydrophobicContact CG-CD1 4.27Å; L110-L114 HydrophobicContact CG-CG 4.38Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 2.88Å
111S92.6Very high89.3Confident64 Ų6447.5 Ų47.545%0.44825%0.248SC..Hα-helixtrans-61.6-42.1-178.441.50000112.5G109 G113 L114 I115 V187G109-S111 PolarHBondContact O-N 3Å; S111-G113 VanDerWaalsContact C-N 3.29Å; S111-G113 PolarHBondContact O-N 3Å; S111-L114 PolarHBondContact O-N 3.28Å; S111-I115 WeakPolarHBondContact O-CG1 3.27Å; S111-I115 PolarHBondContact O-N 3.12Å; S111-V187 WeakPolarHBondContact OG-CG2 3.38Å
112A91.7Very high89.2Confident0 Ų048.1 Ų48.10%026%0.262CS..Hα-helixtrans-64-35.7172.100000112G109 L110 I115 Y116 V164 K165 V187G109-A112 PolarHBondContact O-N 2.87Å; L110-A112 PolarHBondContact O-N 3.24Å; A112-I115 PolarHBondContact O-N 2.91Å; A112-Y116 WeakPolarHBondContact O-CB 3.48Å; A112-Y116 PolarHBondContact O-N 3.37Å; A112-V164 HydrophobicContact CB-CB 4.47Å; A112-V164 HydrophobicContact CB-CG1 4.09Å; A112-K165 HydrophobicContact CB-CB 3.8Å; A112-V187 HydrophobicContact CB-CG1 4.3Å; A112-V187 HydrophobicContact CB-CG2 3.95Å
113G90Very high89.1Confident1 Ų148.1 Ų48.11%0.0126%0.256CS..Hα-helixtrans-64.2-40172.700000113.9G109 L110 S111 Y116 Q117G109-G113 PolarHBondContact O-N 3.33Å; L110-G113 CarbonylContact O-C 3.49Å; L110-G113 WeakPolarHBondContact O-CA 3.38Å; L110-G113 PolarHBondContact O-N 3.27Å; S111-G113 VanDerWaalsContact C-N 3.29Å; S111-G113 PolarHBondContact O-N 3Å; G113-Y116 WeakPolarHBondContact O-CB 3.36Å; G113-Y116 PolarHBondContact O-N 2.62Å; G113-Q117 WeakPolarHBondContact O-CB 3.14Å; G113-Q117 PolarHBondContact O-N 3.29Å
114L92.3Very high88.7Confident55 Ų5545.4 Ų45.429%0.28824%0.236SC..Hα-helixtrans-67.1-42.9175.3-65.4177.6000111.3C55 C58 L110 S111 Y116 Q117 A118C55-L114 HydrophobicContact CB-CD2 3.81Å; C55-L114 WeakPolarHBondContact O-CD2 3.35Å; C58-L114 HydrophobicContact CB-CD2 4.21Å; L110-L114 HydrophobicContact CD1-CD2 4.44Å; L110-L114 HydrophobicContact CD1-CG 4.23Å; L110-L114 HydrophobicContact CG-CD1 4.27Å; L110-L114 HydrophobicContact CG-CG 4.38Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 2.88Å; S111-L114 PolarHBondContact O-N 3.28Å; L114-Y116 VanDerWaalsContact C-N 3.34Å; L114-Q117 PolarHBondContact O-N 2.93Å; L114-A118 WeakPolarHBondContact O-CB 3.35Å; L114-A118 PolarHBondContact O-N 3.37Å
115I92.1Very high88.2Confident76 Ų7636.1 Ų36.139%0.3920%0.204SC..Hα-helixtrans-59.6-48.1173.8-66.1165.5000109.9S111 A112 Q117 A118 V119 A161 V187S111-I115 WeakPolarHBondContact O-CG1 3.27Å; S111-I115 PolarHBondContact O-N 3.12Å; A112-I115 PolarHBondContact O-N 2.91Å; I115-Q117 VanDerWaalsContact C-N 3.32Å; I115-Q117 PolarHBondContact O-N 3.35Å; I115-A118 PolarHBondContact O-N 3.09Å; I115-V119 HydrophobicContact CG2-CG2 4.25Å; I115-V119 WeakPolarHBondContact O-CB 3.45Å; I115-V119 VanDerWaalsContact O-CG2 3.29Å; I115-V119 WeakPolarHBondContact O-CG2 3.29Å; I115-V119 PolarHBondContact O-N 3.27Å; I115-A161 HydrophobicContact CB-CB 4.33Å; I115-A161 HydrophobicContact CG2-CB 3.86Å; I115-V187 HydrophobicContact CD1-CG1 4.35Å
116Y90.6Very high87.9Confident33 Ų3338.4 Ų38.413%0.12923%0.227CC..Hα-helixtrans-55.6-47.6176169.5-94000111.6A112 G113 L114 V119 M120 A158 Y162A112-Y116 WeakPolarHBondContact O-CB 3.48Å; A112-Y116 PolarHBondContact O-N 3.37Å; G113-Y116 WeakPolarHBondContact O-CB 3.36Å; G113-Y116 PolarHBondContact O-N 2.62Å; L114-Y116 VanDerWaalsContact C-N 3.34Å; Y116-V119 PolarHBondContact O-N 2.98Å; Y116-M120 HydrophobicContact CE2-CE 3.86Å; Y116-M120 WeakPolarHBondContact O-CB 3.47Å; Y116-M120 PolarHBondContact O-N 3.42Å; Y116-M120 WeakPolarHBondContact OH-CE 3.48Å; Y116-A158 HydrophobicContact CD2-CB 3.57Å; Y116-A158 HydrophobicContact CE2-CB 3.78Å; Y116-Y162 AromaticContact CD2-CD2 3.93Å; Y116-Y162 HydrophobicContact CD2-CD2 3.93Å; Y116-Y162 HydrophobicContact CD2-CG 4.3Å; Y116-Y162 HydrophobicContact CE1-CD2 4.38Å; Y116-Y162 AromaticContact CE2-CD2 3.68Å; Y116-Y162 HydrophobicContact CE2-CD2 3.68Å; Y116-Y162 HydrophobicContact CE2-CG 4.14Å; Y116-Y162 HydrophobicContact CG-CD2 4.36Å; Y116-Y162 AromaticContact CZ-CD2 3.92Å
117Q88.1Confident87.6Confident32 Ų3238.5 Ų38.515%0.1523%0.229CC..Hα-helixtrans-65.4-42.5-178.8-16764.617.200111.6C54 G113 L114 I115 N121C54-Q117 HydrophobicContact CB-CG 3.93Å; G113-Q117 WeakPolarHBondContact O-CB 3.14Å; G113-Q117 PolarHBondContact O-N 3.29Å; L114-Q117 PolarHBondContact O-N 2.93Å; I115-Q117 VanDerWaalsContact C-N 3.32Å; I115-Q117 PolarHBondContact O-N 3.35Å; Q117-N121 VanDerWaalsContact CD-ND2 3.28Å; Q117-N121 WeakPolarHBondContact CG-ND2 3.49Å; Q117-N121 PolarHBondContact NE2-ND2 2.96Å; Q117-N121 WeakPolarHBondContact O-CB 3.4Å; Q117-N121 PolarHBondContact O-N 3.19Å; Q117-N121 PolarHBondContact O-ND2 2.95Å
118A87.6Confident86.8Confident54 Ų5436.9 Ų36.945%0.44622%0.221SC..Hα-helixtrans-62-49.5177.300000111.7L114 I115 G122L114-A118 WeakPolarHBondContact O-CB 3.35Å; L114-A118 PolarHBondContact O-N 3.37Å; I115-A118 PolarHBondContact O-N 3.09Å; A118-G122 PolarHBondContact O-N 2.96Å
119V89.9Confident86.2Confident49 Ų4937 Ų3730%0.29723%0.23SC..Hα-helixtrans-65.3-47.8-179.6174.60000111.1I115 Y116 N121 G122 V123 I157 A158I115-V119 HydrophobicContact CG2-CG2 4.25Å; I115-V119 WeakPolarHBondContact O-CB 3.45Å; I115-V119 VanDerWaalsContact O-CG2 3.29Å; I115-V119 WeakPolarHBondContact O-CG2 3.29Å; I115-V119 PolarHBondContact O-N 3.27Å; Y116-V119 PolarHBondContact O-N 2.98Å; V119-N121 PolarHBondContact O-N 3.44Å; V119-G122 PolarHBondContact O-N 3.43Å; V119-V123 HydrophobicContact CG1-CG2 4.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.48Å; V119-V123 PolarHBondContact O-N 3.44Å; V119-I157 HydrophobicContact CG1-CB 4.46Å; V119-I157 HydrophobicContact CG1-CG2 3.7Å; V119-A158 HydrophobicContact CB-CB 4.26Å; V119-A158 HydrophobicContact CG1-CB 3.93Å
120M85.4Confident85.9Confident15 Ų1540.1 Ų40.17%0.07425%0.249CC..Hα-helixtrans-58.5-48.3-179.8176.262.981.300111.7Y116 R124 G154 A155 A158Y116-M120 HydrophobicContact CE2-CE 3.86Å; Y116-M120 WeakPolarHBondContact O-CB 3.47Å; Y116-M120 PolarHBondContact O-N 3.42Å; Y116-M120 WeakPolarHBondContact OH-CE 3.48Å; M120-R124 VanDerWaalsContact O-CB 3.27Å; M120-R124 WeakPolarHBondContact O-CB 3.34Å; M120-R124 PolarHBondContact O-N 3.42Å; M120-G154 VanDerWaalsContact SD-C 3.5Å; M120-A155 HydrophobicContact CE-CB 4.01Å; M120-A158 HydrophobicContact CB-CB 4.28Å; M120-A158 HydrophobicContact CE-CB 4.46Å
121N84Confident85.2Confident4 Ų439.7 Ų39.72%0.02125%0.249CC..Hα-helixtrans-68.8-41.2179.3-70.1-67.3000111.5A51 Q117 V119 V123 R124 L125A51-N121 HydrophobicContact CB-CB 3.86Å; Q117-N121 VanDerWaalsContact CD-ND2 3.28Å; Q117-N121 WeakPolarHBondContact CG-ND2 3.49Å; Q117-N121 PolarHBondContact NE2-ND2 2.96Å; Q117-N121 WeakPolarHBondContact O-CB 3.4Å; Q117-N121 PolarHBondContact O-N 3.19Å; Q117-N121 PolarHBondContact O-ND2 2.95Å; V119-N121 PolarHBondContact O-N 3.44Å; N121-V123 PolarHBondContact O-N 2.86Å; N121-R124 PolarHBondContact O-N 3.42Å; N121-R124 PolarHBondContact OD1-NH2 3.32Å; N121-L125 WeakPolarHBondContact O-CD1 3.36Å; N121-L125 WeakPolarHBondContact O-CG 3.3Å; N121-L125 PolarHBondContact O-N 3.36Å
122G83.7Confident84.4Confident43 Ų4339.8 Ų39.844%0.44325%0.245SC..Hα-helixtrans-57.9-48.8177.300000112.6A118 V119 L125 G126A118-G122 PolarHBondContact O-N 2.96Å; V119-G122 PolarHBondContact O-N 3.43Å; G122-L125 PolarHBondContact O-N 3.03Å; G122-G126 PolarHBondContact O-N 3.01Å
123V86.1Confident83.8Confident26 Ų2644.9 Ų44.916%0.15828%0.28CS..Hα-helixtrans-65.7-42.2178.3174.40000111.4V119 N121 L125 G126 S127 L153 I157V119-V123 HydrophobicContact CG1-CG2 4.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.48Å; V119-V123 PolarHBondContact O-N 3.44Å; N121-V123 PolarHBondContact O-N 2.86Å; V123-L125 VanDerWaalsContact C-N 3.29Å; V123-L125 PolarHBondContact O-N 3.3Å; V123-G126 PolarHBondContact O-N 3.23Å; V123-S127 WeakPolarHBondContact O-CB 3.31Å; V123-S127 PolarHBondContact O-N 2.89Å; V123-S127 PolarHBondContact O-OG 3.26Å; V123-L153 HydrophobicContact CG1-CB 4.26Å; V123-I157 HydrophobicContact CG1-CD1 3.92Å; V123-I157 HydrophobicContact CG2-CB 4.09Å; V123-I157 HydrophobicContact CG2-CD1 3.76Å; V123-I157 HydrophobicContact CG2-CG1 4.5Å; V123-I157 HydrophobicContact CG2-CG2 3.99Å
124R79.6Confident83.5Confident88 Ų8850.6 Ų50.633%0.33231%0.31SS..Hα-helixtrans-58.6-43.7178.5-173.3178.770.3-161.3-2111.3M120 N121 Y128 A150M120-R124 VanDerWaalsContact O-CB 3.27Å; M120-R124 WeakPolarHBondContact O-CB 3.34Å; M120-R124 PolarHBondContact O-N 3.42Å; N121-R124 PolarHBondContact O-N 3.42Å; N121-R124 PolarHBondContact OD1-NH2 3.32Å; R124-Y128 WeakPolarHBondContact O-CB 3.47Å; R124-Y128 PolarHBondContact O-N 3.14Å; R124-A150 HydrophobicContact CG-CB 4.37Å
125L76.4Confident82.8Confident35 Ų3549.4 Ų49.418%0.18331%0.311CS..Hα-helixtrans-67.3-51.8178.9-66.2168000111.8F47 N121 G122 V123 S127 Y128 S129F47-L125 HydrophobicContact CB-CD1 3.62Å; F47-L125 HydrophobicContact CB-CD2 3.67Å; F47-L125 HydrophobicContact CB-CG 4.28Å; F47-L125 HydrophobicContact CD1-CD2 3.32Å; F47-L125 HydrophobicContact CD2-CD2 3.88Å; F47-L125 HydrophobicContact CE1-CD2 3.82Å; F47-L125 HydrophobicContact CE2-CD2 4.35Å; F47-L125 HydrophobicContact CG-CD1 4.29Å; F47-L125 HydrophobicContact CG-CD2 3.36Å; F47-L125 HydrophobicContact CG-CG 4.44Å; F47-L125 HydrophobicContact CZ-CD2 4.31Å; N121-L125 WeakPolarHBondContact O-CD1 3.36Å; N121-L125 WeakPolarHBondContact O-CG 3.3Å; N121-L125 PolarHBondContact O-N 3.36Å; G122-L125 PolarHBondContact O-N 3.03Å; V123-L125 VanDerWaalsContact C-N 3.29Å; V123-L125 PolarHBondContact O-N 3.3Å; L125-S127 VanDerWaalsContact C-N 3.28Å; L125-S127 PolarHBondContact O-N 3.39Å; L125-Y128 PolarHBondContact O-N 3.34Å; L125-S129 PolarHBondContact O-N 3.41Å; L125-S129 PolarHBondContact O-OG 2.83Å
126G80.3Confident82Confident48 Ų4849 Ų4950%0.49531%0.309SS..Hα-helixtrans-59-41.8179.400000112.2G122 V123 C130G122-G126 PolarHBondContact O-N 3.01Å; V123-G126 PolarHBondContact O-N 3.23Å; G126-C130 WeakPolarHBondContact O-CB 3.35Å; G126-C130 PolarHBondContact O-N 3.29Å; G126-C130 VanDerWaalsContact O-N 3.09Å
127S82.8Confident81.2Confident22 Ų2248.2 Ų48.215%0.15431%0.308CS..Hα-helixtrans-68.8-42.3178.5-540000111.8V123 L125 C130 C131V123-S127 WeakPolarHBondContact O-CB 3.31Å; V123-S127 PolarHBondContact O-N 2.89Å; V123-S127 PolarHBondContact O-OG 3.26Å; L125-S127 VanDerWaalsContact C-N 3.28Å; L125-S127 PolarHBondContact O-N 3.39Å; S127-C130 WeakPolarHBondContact O-CB 3.08Å; S127-C130 PolarHBondContact O-N 3.26Å; S127-C131 PolarHBondContact O-N 2.71Å; S127-C131 PolarHBondContact O-SG 3.27Å; S127-C131 VanDerWaalsContact O-SG 3.33Å
128Y77.3Confident80.4Confident26 Ų2650.9 Ų50.910%0.10234%0.335CS..Hα-helixtrans-64.7-45.9178-172.3-95.5000111.9A26 R124 L125 C130 C131 D132 T137A26-Y128 HydrophobicContact CB-CD1 4.38Å; A26-Y128 HydrophobicContact CB-CE1 4.3Å; R124-Y128 WeakPolarHBondContact O-CB 3.47Å; R124-Y128 PolarHBondContact O-N 3.14Å; L125-Y128 PolarHBondContact O-N 3.34Å; Y128-C130 VanDerWaalsContact C-N 3.27Å; Y128-C130 PolarHBondContact O-N 3.24Å; Y128-C131 PolarHBondContact O-N 2.95Å; Y128-C131 VanDerWaalsContact O-N 3.17Å; Y128-D132 WeakPolarHBondContact O-CB 3.18Å; Y128-D132 PolarHBondContact O-N 2.88Å; Y128-T137 HydrophobicContact CE2-CG2 4.24Å
129S78.1Confident79.9Confident65 Ų6555.6 Ų55.646%0.45535%0.346SS..Hα-helixtrans-60.6-36.2176-65.70000112.5L125 S133L125-S129 PolarHBondContact O-N 3.41Å; L125-S129 PolarHBondContact O-OG 2.83Å; S129-S133 WeakPolarHBondContact O-CB 3.38Å; S129-S133 PolarHBondContact O-N 3.41Å; S129-S133 PolarHBondContact O-OG 3.39Å
130C81.9Confident79.1Confident71 Ų7163.4 Ų63.448%0.4838%0.378SS..Hα-helixtrans-65.5-48.2173.2-173.70000111.5G126 S127 Y128 D132 S133 L134G126-C130 WeakPolarHBondContact O-CB 3.35Å; G126-C130 PolarHBondContact O-N 3.29Å; G126-C130 VanDerWaalsContact O-N 3.09Å; S127-C130 WeakPolarHBondContact O-CB 3.08Å; S127-C130 PolarHBondContact O-N 3.26Å; Y128-C130 VanDerWaalsContact C-N 3.27Å; Y128-C130 PolarHBondContact O-N 3.24Å; C130-D132 VanDerWaalsContact C-N 3.3Å; C130-D132 PolarHBondContact O-N 3.11Å; C130-S133 PolarHBondContact O-N 2.95Å; C130-L134 VanDerWaalsContact O-CG 3.28Å; C130-L134 WeakPolarHBondContact O-CG 3.23Å; C130-L134 PolarHBondContact O-N 3.29Å
131C79.3Confident78.4Confident27 Ų2764.6 Ų64.618%0.18239%0.394CS..Hα-helixtrans-61.8-36.9177.4-700000113.2S127 Y128 L134 G135 I136S127-C131 PolarHBondContact O-N 2.71Å; S127-C131 PolarHBondContact O-SG 3.27Å; S127-C131 VanDerWaalsContact O-SG 3.33Å; Y128-C131 PolarHBondContact O-N 2.95Å; Y128-C131 VanDerWaalsContact O-N 3.17Å; C131-L134 PolarHBondContact O-N 2.96Å; C131-G135 PolarHBondContact O-N 2.73Å; C131-I136 WeakPolarHBondContact O-CB 3.36Å; C131-I136 PolarHBondContact O-N 2.87Å; C131-I136 VanDerWaalsContact O-N 3.08Å
132D75.8Confident78.1Confident66 Ų6664.5 Ų64.535%0.35340%0.395SS..Hα-helixtrans-68-43.7176.3-164.856.9000111.1Y128 C130 L134 G135 T137Y128-D132 WeakPolarHBondContact O-CB 3.18Å; Y128-D132 PolarHBondContact O-N 2.88Å; C130-D132 VanDerWaalsContact C-N 3.3Å; C130-D132 PolarHBondContact O-N 3.11Å; D132-L134 PolarHBondContact O-N 3.31Å; D132-G135 PolarHBondContact O-N 2.72Å; D132-T137 HydrophobicContact CB-CG2 4.05Å; D132-T137 WeakPolarHBondContact OD1-CB 3.21Å; D132-T137 PolarHBondContact OD1-OG1 2.6Å
133S79.3Confident77.5Confident107 Ų10763.5 Ų63.575%0.74838%0.381SS*.Hα-helixtrans-63.3-27.8175.5-57.30000113.1S129 C130 G135S129-S133 WeakPolarHBondContact O-CB 3.38Å; S129-S133 PolarHBondContact O-N 3.41Å; S129-S133 PolarHBondContact O-OG 3.39Å; C130-S133 PolarHBondContact O-N 2.95Å; S133-G135 VanDerWaalsContact C-N 3.29Å
134L83.3Confident77Confident120 Ų12065.7 Ų65.763%0.62839%0.391SS*.THydrogen-bonded Turntrans-83.5-0.4175.2-69169.2000113.3C130 C131 D132 I136C130-L134 VanDerWaalsContact O-CG 3.28Å; C130-L134 WeakPolarHBondContact O-CG 3.23Å; C130-L134 PolarHBondContact O-N 3.29Å; C131-L134 PolarHBondContact O-N 2.96Å; D132-L134 PolarHBondContact O-N 3.31Å; L134-I136 HydrophobicContact CB-CD1 4.02Å; L134-I136 HydrophobicContact CB-CG1 4.01Å; L134-I136 HydrophobicContact CD1-CD1 4.24Å; L134-I136 PolarHBondContact O-N 2.9Å
135G77.6Confident77Confident30 Ų3067.5 Ų67.531%0.30941%0.407SS..THydrogen-bonded Turntrans71.611.6-18000000114.6C131 D132 S133 T137 A138C131-G135 PolarHBondContact O-N 2.73Å; D132-G135 PolarHBondContact O-N 2.72Å; S133-G135 VanDerWaalsContact C-N 3.29Å; G135-T137 VanDerWaalsContact C-N 3.27Å; G135-T137 PolarHBondContact O-N 2.91Å; G135-A138 WeakPolarHBondContact O-CB 3.38Å; G135-A138 PolarHBondContact O-N 3.06Å
136I75.9Confident77.2Confident69 Ų6966 Ų6635%0.35440%0.4SS..G310 helixtrans-69.3-30.4-178.4-60.8172.8000110.5C131 L134 A138 G142C131-I136 WeakPolarHBondContact O-CB 3.36Å; C131-I136 PolarHBondContact O-N 2.87Å; C131-I136 VanDerWaalsContact O-N 3.08Å; L134-I136 HydrophobicContact CB-CD1 4.02Å; L134-I136 HydrophobicContact CB-CG1 4.01Å; L134-I136 HydrophobicContact CD1-CD1 4.24Å; L134-I136 PolarHBondContact O-N 2.9Å; I136-A138 PolarHBondContact O-N 3.26Å; I136-G142 WeakPolarHBondContact O-CA 3.31Å
137T72.5Confident77.1Confident16 Ų1665 Ų6510%0.09839%0.389CS..G310 helixtrans-67.8-20.1177.451.70000113.5Y128 D132 G135 F139 S143Y128-T137 HydrophobicContact CE2-CG2 4.24Å; D132-T137 HydrophobicContact CB-CG2 4.05Å; D132-T137 WeakPolarHBondContact OD1-CB 3.21Å; D132-T137 PolarHBondContact OD1-OG1 2.6Å; G135-T137 VanDerWaalsContact C-N 3.27Å; G135-T137 PolarHBondContact O-N 2.91Å; T137-F139 VanDerWaalsContact C-N 3.35Å; T137-F139 PolarHBondContact O-N 2.96Å; T137-S143 PolarHBondContact O-OG 3.43Å
138A71.9Confident77Confident87 Ų8764.9 Ų64.972%0.71939%0.389SS*.G310 helixtrans-75.9-19.7-177.400000113.7G135 I136G135-A138 WeakPolarHBondContact O-CB 3.38Å; G135-A138 PolarHBondContact O-N 3.06Å; I136-A138 PolarHBondContact O-N 3.26Å
139F77.9Confident77.3Confident154 Ų15465.2 Ų65.268%0.67540%0.401SS*.SBendtrans-78.1153.2178.3-65-80.9000112.2T137 G141 G142T137-F139 VanDerWaalsContact C-N 3.35Å; T137-F139 PolarHBondContact O-N 2.96Å; F139-G141 PolarHBondContact O-N 2.65Å; F139-G142 PolarHBondContact O-N 2.92Å
140H71.4Confident77.6Confident212 Ų21262.2 Ų62.298%0.98138%0.38SS*.THydrogen-bonded Turntrans-60.1113.7175-135.485.7000109.9G142H140-G142 VanDerWaalsContact C-N 3.32Å
141G72Confident77.7Confident40 Ų4059.1 Ų59.141%0.41236%0.36SS..THydrogen-bonded Turntrans83-2.5-173.800000115.5F139 S143 L144 L145F139-G141 PolarHBondContact O-N 2.65Å; G141-S143 VanDerWaalsContact C-N 3.29Å; G141-S143 PolarHBondContact O-N 2.93Å; G141-L144 WeakPolarHBondContact O-CB 3.44Å; G141-L144 PolarHBondContact O-N 3.24Å; G141-L145 PolarHBondContact O-N 3.01Å
142G76.2Confident78.1Confident3 Ų358.6 Ų58.63%0.03136%0.357CS..Hα-helixtrans-60.8-34.4178.400000113.9I136 F139 H140 L145 S146I136-G142 WeakPolarHBondContact O-CA 3.31Å; F139-G142 PolarHBondContact O-N 2.92Å; H140-G142 VanDerWaalsContact C-N 3.32Å; G142-L145 PolarHBondContact O-N 3.24Å; G142-S146 WeakPolarHBondContact O-CB 3.4Å; G142-S146 PolarHBondContact O-N 3.38Å; G142-S146 PolarHBondContact O-OG 3.39Å
143S72.4Confident78.7Confident21 Ų2159.6 Ų59.615%0.14736%0.362CS..Hα-helixtrans-67.5-31.9172.2-60.40000113.9M25 T137 G141 S146 G147M25-S143 WeakPolarHBondContact SD-CB 3.45Å; M25-S143 PolarHBondContact SD-OG 3.34Å; T137-S143 PolarHBondContact O-OG 3.43Å; G141-S143 VanDerWaalsContact C-N 3.29Å; G141-S143 PolarHBondContact O-N 2.93Å; S143-S146 VanDerWaalsContact CA-OG 3.25Å; S143-S146 WeakPolarHBondContact CA-OG 3.4Å; S143-S146 PolarHBondContact O-OG 3.01Å; S143-S146 VanDerWaalsContact O-OG 3.11Å; S143-G147 PolarHBondContact O-N 3.33Å
144L75.1Confident79.2Confident72 Ų7254.5 Ų54.538%0.37733%0.326SS..Hα-helixtrans-71.9-44173.9171.160.5000110.3G141 G147 A148 L222G141-L144 WeakPolarHBondContact O-CB 3.44Å; G141-L144 PolarHBondContact O-N 3.24Å; L144-G147 PolarHBondContact O-N 3.01Å; L144-A148 VanDerWaalsContact O-CB 3.26Å; L144-A148 WeakPolarHBondContact O-CB 3.19Å; L144-A148 PolarHBondContact O-N 2.87Å; L144-L222 HydrophobicContact CB-CD2 3.99Å; L144-L222 HydrophobicContact CD1-CD2 3.69Å; L144-L222 HydrophobicContact CD2-CD2 4.21Å; L144-L222 HydrophobicContact CG-CD2 4.15Å
145L79.9Confident79.3Confident127 Ų12748.9 Ų48.967%0.66530%0.297SS*.Hα-helixtrans-63.8-45.2177.7-70.5173.7000112G141 G142 A148 G149G141-L145 PolarHBondContact O-N 3.01Å; G142-L145 PolarHBondContact O-N 3.24Å; L145-A148 PolarHBondContact O-N 2.73Å; L145-G149 PolarHBondContact O-N 3.47Å
146S80.4Confident80Confident4 Ų450.5 Ų50.53%0.02830%0.299CS..Hα-helixtrans-65.4-40.9175.654.40000112G142 S143 A150G142-S146 WeakPolarHBondContact O-CB 3.4Å; G142-S146 PolarHBondContact O-N 3.38Å; G142-S146 PolarHBondContact O-OG 3.39Å; S143-S146 VanDerWaalsContact CA-OG 3.25Å; S143-S146 WeakPolarHBondContact CA-OG 3.4Å; S143-S146 PolarHBondContact O-OG 3.01Å; S143-S146 VanDerWaalsContact O-OG 3.11Å; S146-A150 WeakPolarHBondContact O-CB 3.34Å; S146-A150 PolarHBondContact O-N 2.86Å
147G77.4Confident80.7Confident26 Ų2651.7 Ų51.727%0.26831%0.305SS..Hα-helixtrans-63.1-45.3174.400000113S143 L144 G151S143-G147 PolarHBondContact O-N 3.33Å; L144-G147 PolarHBondContact O-N 3.01Å; G147-G151 PolarHBondContact O-N 3.28Å
148A80.6Confident81.5Confident20 Ų2051 Ų5117%0.16530%0.3CS..Hα-helixtrans-66.6-42.9177.300000111.9L144 L145 G151 A152L144-A148 VanDerWaalsContact O-CB 3.26Å; L144-A148 WeakPolarHBondContact O-CB 3.19Å; L144-A148 PolarHBondContact O-N 2.87Å; L145-A148 PolarHBondContact O-N 2.73Å; A148-G151 PolarHBondContact O-N 2.93Å; A148-A152 WeakPolarHBondContact O-CB 3.34Å; A148-A152 PolarHBondContact O-N 3.49Å
149G84.7Confident82.5Confident33 Ų3346.8 Ų46.834%0.3427%0.266SS..Hα-helixtrans-64.4-46.617600000112.4L145 G151 A152 L153L145-G149 PolarHBondContact O-N 3.47Å; G149-G151 VanDerWaalsContact C-N 3.31Å; G149-G151 PolarHBondContact O-N 2.92Å; G149-A152 PolarHBondContact O-N 3.22Å; G149-L153 WeakPolarHBondContact O-CB 3.32Å; G149-L153 WeakPolarHBondContact O-CG 3.23Å; G149-L153 PolarHBondContact O-N 2.99Å
150A84.8Confident83.2Confident2 Ų240.1 Ų40.12%0.01724%0.238CC..Hα-helixtrans-61.1-39.9174.600000111.9R124 S146 G154R124-A150 HydrophobicContact CG-CB 4.37Å; S146-A150 WeakPolarHBondContact O-CB 3.34Å; S146-A150 PolarHBondContact O-N 2.86Å; A150-G154 PolarHBondContact O-N 3.19Å
151G82.8Confident84.2Confident5 Ų530.3 Ų30.35%0.05219%0.194CC..Hα-helixtrans-65.7-41.6174.100000112.9G147 A148 G149 G154 A155G147-G151 PolarHBondContact O-N 3.28Å; A148-G151 PolarHBondContact O-N 2.93Å; G149-G151 VanDerWaalsContact C-N 3.31Å; G149-G151 PolarHBondContact O-N 2.92Å; G151-G154 PolarHBondContact O-N 3.38Å; G151-A155 WeakPolarHBondContact O-CB 3.35Å; G151-A155 PolarHBondContact O-N 3.32Å
152A87.3Confident85Confident16 Ų1629 Ų2913%0.13218%0.177CC..Hα-helixtrans-65-45.5176.300000111.7A148 G149 A155 L156 V211A148-A152 WeakPolarHBondContact O-CB 3.34Å; A148-A152 PolarHBondContact O-N 3.49Å; G149-A152 PolarHBondContact O-N 3.22Å; A152-A155 PolarHBondContact O-N 3.39Å; A152-L156 VanDerWaalsContact O-CG 3.3Å; A152-L156 WeakPolarHBondContact O-CG 3.48Å; A152-L156 PolarHBondContact O-N 2.74Å; A152-V211 HydrophobicContact CB-CG1 3.93Å
153L89.9Confident85.8Confident87 Ų8729.1 Ų29.146%0.45518%0.176SC..Hα-helixtrans-62-42.8173.6-71.3174.7000111.6V123 G149 A155 L156 I157V123-L153 HydrophobicContact CG1-CB 4.26Å; G149-L153 WeakPolarHBondContact O-CB 3.32Å; G149-L153 WeakPolarHBondContact O-CG 3.23Å; G149-L153 PolarHBondContact O-N 2.99Å; L153-A155 VanDerWaalsContact C-N 3.33Å; L153-A155 PolarHBondContact O-N 3.5Å; L153-L156 HydrophobicContact CD2-CD1 4.33Å; L153-L156 WeakPolarHBondContact O-CB 3.37Å; L153-L156 PolarHBondContact O-N 3.24Å; L153-I157 WeakPolarHBondContact O-CG1 3.05Å; L153-I157 PolarHBondContact O-N 3.25Å
154G88.3Confident86.7Confident0 Ų028.1 Ų28.10%017%0.169CC..Hα-helixtrans-59.4-42.9173.400000112.4M120 A150 G151 I157 A158M120-G154 VanDerWaalsContact SD-C 3.5Å; A150-G154 PolarHBondContact O-N 3.19Å; G151-G154 PolarHBondContact O-N 3.38Å; G154-I157 PolarHBondContact O-N 3Å; G154-A158 WeakPolarHBondContact O-CB 3.38Å; G154-A158 PolarHBondContact O-N 3Å
155A87.3Confident87.6Confident2 Ų225.2 Ų25.22%0.01715%0.154CC..Hα-helixtrans-65.9-37.2176.700000112.5M120 G151 A152 L153 S159 A210 V211 V214M120-A155 HydrophobicContact CE-CB 4.01Å; G151-A155 WeakPolarHBondContact O-CB 3.35Å; G151-A155 PolarHBondContact O-N 3.32Å; A152-A155 PolarHBondContact O-N 3.39Å; L153-A155 VanDerWaalsContact C-N 3.33Å; L153-A155 PolarHBondContact O-N 3.5Å; A155-S159 WeakPolarHBondContact O-CA 3.37Å; A155-S159 VanDerWaalsContact O-CB 3.31Å; A155-S159 WeakPolarHBondContact O-CB 3.46Å; A155-S159 PolarHBondContact O-N 3.17Å; A155-A210 HydrophobicContact CB-CB 4.49Å; A155-V211 HydrophobicContact CB-CG2 4.38Å; A155-V214 HydrophobicContact CB-CB 4.46Å; A155-V214 HydrophobicContact CB-CG2 3.98Å
156L90.8Very high88.1Confident65 Ų6519.1 Ų19.134%0.3412%0.122SC..Hα-helixtrans-64-52.6174.8-73.4161.2000110.6A152 L153 S159 W204 V207 V211A152-L156 VanDerWaalsContact O-CG 3.3Å; A152-L156 WeakPolarHBondContact O-CG 3.48Å; A152-L156 PolarHBondContact O-N 2.74Å; L153-L156 HydrophobicContact CD2-CD1 4.33Å; L153-L156 WeakPolarHBondContact O-CB 3.37Å; L153-L156 PolarHBondContact O-N 3.24Å; L156-S159 VanDerWaalsContact O-CB 3.31Å; L156-S159 WeakPolarHBondContact O-CB 3.43Å; L156-S159 PolarHBondContact O-N 3.34Å; L156-W204 PolarHBondContact O-NE1 3.34Å; L156-V207 HydrophobicContact CD2-CB 4.49Å; L156-V207 HydrophobicContact CD2-CG1 4.16Å; L156-V207 HydrophobicContact CD2-CG2 3.53Å; L156-V207 HydrophobicContact CG-CG2 4.23Å; L156-V211 HydrophobicContact CD2-CG2 4.15Å; L156-V211 HydrophobicContact CG-CG2 4Å
157I91Very high88.6Confident93 Ų9319.5 Ų19.548%0.47712%0.123SC..Hα-helixtrans-69.5-37.3-176.8-62.8177.1000111.5V119 V123 L153 G154 S159 P160V119-I157 HydrophobicContact CG1-CB 4.46Å; V119-I157 HydrophobicContact CG1-CG2 3.7Å; V123-I157 HydrophobicContact CG1-CD1 3.92Å; V123-I157 HydrophobicContact CG2-CB 4.09Å; V123-I157 HydrophobicContact CG2-CD1 3.76Å; V123-I157 HydrophobicContact CG2-CG1 4.5Å; V123-I157 HydrophobicContact CG2-CG2 3.99Å; L153-I157 WeakPolarHBondContact O-CG1 3.05Å; L153-I157 PolarHBondContact O-N 3.25Å; G154-I157 PolarHBondContact O-N 3Å; I157-S159 VanDerWaalsContact C-N 3.32Å; I157-S159 PolarHBondContact O-N 3.37Å; I157-P160 WeakPolarHBondContact O-CD 3.36Å
158A90.4Very high89.2Confident1 Ų118.9 Ų18.91%0.00811%0.114CC..Hα-helixtrans-83.4-4.4179.400000113.9Y116 V119 M120 G154 P160 A161 Y162Y116-A158 HydrophobicContact CD2-CB 3.57Å; Y116-A158 HydrophobicContact CE2-CB 3.78Å; V119-A158 HydrophobicContact CB-CB 4.26Å; V119-A158 HydrophobicContact CG1-CB 3.93Å; M120-A158 HydrophobicContact CB-CB 4.28Å; M120-A158 HydrophobicContact CE-CB 4.46Å; G154-A158 WeakPolarHBondContact O-CB 3.38Å; G154-A158 PolarHBondContact O-N 3Å; A158-P160 VanDerWaalsContact C-CD 3.46Å; A158-A161 PolarHBondContact O-N 3.42Å; A158-Y162 PolarHBondContact O-N 2.95Å; A158-Y162 VanDerWaalsContact O-N 3.1Å
159S91.4Very high89.6Confident0 Ų018 Ų180%011%0.106CC..Hα-helixtrans-52.4-43.7-177.5-175.50000113.7A155 L156 I157 A161 Y162 L163 Y272A155-S159 WeakPolarHBondContact O-CA 3.37Å; A155-S159 VanDerWaalsContact O-CB 3.31Å; A155-S159 WeakPolarHBondContact O-CB 3.46Å; A155-S159 PolarHBondContact O-N 3.17Å; L156-S159 VanDerWaalsContact O-CB 3.31Å; L156-S159 WeakPolarHBondContact O-CB 3.43Å; L156-S159 PolarHBondContact O-N 3.34Å; I157-S159 VanDerWaalsContact C-N 3.32Å; I157-S159 PolarHBondContact O-N 3.37Å; S159-A161 PolarHBondContact O-N 3.39Å; S159-Y162 CarbonylContact O-C 3.6Å; S159-Y162 WeakPolarHBondContact O-CB 3.44Å; S159-Y162 PolarHBondContact O-N 3.09Å; S159-Y162 VanDerWaalsContact O-N 3.09Å; S159-L163 PolarHBondContact O-N 3.35Å; S159-Y272 PolarHBondContact OG-OH 2.94Å
160P92.2Very high89.8Confident13 Ų1316.5 Ų16.58%0.0849%0.09CC..Hα-helixtrans-62.1-39.8179.6-24.736.1000113.8I157 A158 Y162 L163 V164 F191 L203 W204I157-P160 WeakPolarHBondContact O-CD 3.36Å; A158-P160 VanDerWaalsContact C-CD 3.46Å; P160-Y162 VanDerWaalsContact C-N 3.32Å; P160-L163 PolarHBondContact O-N 3.33Å; P160-V164 WeakPolarHBondContact O-CG2 3.2Å; P160-V164 PolarHBondContact O-N 2.91Å; P160-V164 VanDerWaalsContact O-N 3.1Å; P160-F191 HydrophobicContact CB-CE1 3.84Å; P160-L203 WeakPolarHBondContact CA-O 3.18Å; P160-L203 HydrophobicContact CB-CB 3.98Å; P160-L203 HydrophobicContact CB-CD2 4.02Å; P160-L203 HydrophobicContact CB-CG 4.28Å; P160-L203 HydrophobicContact CG-CB 4.02Å; P160-L203 HydrophobicContact CG-CD2 4.48Å; P160-W204 HydrophobicContact CG-CD2 4.04Å; P160-W204 HydrophobicContact CG-CE3 4.1Å; P160-W204 HydrophobicContact CG-CH2 3.87Å; P160-W204 HydrophobicContact CG-CZ2 3.77Å; P160-W204 HydrophobicContact CG-CZ3 4.03Å
161A92.6Very high89.8Confident6 Ų616.9 Ų16.95%0.059%0.092CC..Hα-helixtrans-67.2-36.7175.800000111.4I115 A158 S159 K165 F191I115-A161 HydrophobicContact CB-CB 4.33Å; I115-A161 HydrophobicContact CG2-CB 3.86Å; A158-A161 PolarHBondContact O-N 3.42Å; S159-A161 PolarHBondContact O-N 3.39Å; A161-K165 VanDerWaalsContact O-CB 3.24Å; A161-K165 WeakPolarHBondContact O-CB 3.18Å; A161-K165 PolarHBondContact O-N 3.33Å; A161-F191 HydrophobicContact CB-CZ 4.45Å
162Y90.5Very high89.9Confident14 Ų1417.2 Ų17.26%0.0559%0.093CC..Hα-helixtrans-67.9-39.8175.5-165.3-90.1000112.5Y116 A158 S159 P160 K165 T166 R213 Y272Y116-Y162 AromaticContact CD2-CD2 3.93Å; Y116-Y162 HydrophobicContact CD2-CD2 3.93Å; Y116-Y162 HydrophobicContact CD2-CG 4.3Å; Y116-Y162 HydrophobicContact CE1-CD2 4.38Å; Y116-Y162 AromaticContact CE2-CD2 3.68Å; Y116-Y162 HydrophobicContact CE2-CD2 3.68Å; Y116-Y162 HydrophobicContact CE2-CG 4.14Å; Y116-Y162 HydrophobicContact CG-CD2 4.36Å; Y116-Y162 AromaticContact CZ-CD2 3.92Å; A158-Y162 PolarHBondContact O-N 2.95Å; A158-Y162 VanDerWaalsContact O-N 3.1Å; S159-Y162 CarbonylContact O-C 3.6Å; S159-Y162 WeakPolarHBondContact O-CB 3.44Å; S159-Y162 PolarHBondContact O-N 3.09Å; S159-Y162 VanDerWaalsContact O-N 3.09Å; P160-Y162 VanDerWaalsContact C-N 3.32Å; Y162-K165 WeakPolarHBondContact O-CB 3.27Å; Y162-K165 PolarHBondContact O-N 3.07Å; Y162-T166 WeakPolarHBondContact CE1-OG1 3.4Å; Y162-T166 WeakPolarHBondContact O-CB 3.4Å; Y162-T166 PolarHBondContact O-N 3.46Å; Y162-T166 PolarHBondContact O-OG1 3.3Å; Y162-R213 VanDerWaalsContact CZ-NH1 3.33Å; Y162-R213 PolarHBondContact OH-NH1 2.88Å; Y162-Y272 HydrophobicContact CD1-CD1 4.38Å; Y162-Y272 AromaticContact CD1-CD2 3.54Å; Y162-Y272 HydrophobicContact CD1-CD2 3.54Å; Y162-Y272 HydrophobicContact CD1-CE1 4.19Å; Y162-Y272 AromaticContact CD1-CE2 3.33Å; Y162-Y272 HydrophobicContact CD1-CE2 3.33Å; Y162-Y272 HydrophobicContact CD1-CG 4.1Å; Y162-Y272 AromaticContact CD1-CZ 3.69Å; Y162-Y272 AromaticContact CE1-CD2 3.55Å; Y162-Y272 HydrophobicContact CE1-CD2 3.55Å; Y162-Y272 AromaticContact CE1-CE2 3.65Å; Y162-Y272 HydrophobicContact CE1-CE2 3.65Å; Y162-Y272 HydrophobicContact CE1-CG 4.31Å; Y162-Y272 HydrophobicContact CG-CE2 4.45Å
163L91.6Very high89.5Confident4 Ų419.8 Ų19.82%0.02111%0.107CC..Hα-helixtrans-58.8-54.3174.3174.369.5000110.7S159 P160 K165 T166 H167 I194 G202 Y272S159-L163 PolarHBondContact O-N 3.35Å; P160-L163 PolarHBondContact O-N 3.33Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.22Å; L163-T166 PolarHBondContact O-N 2.68Å; L163-T166 VanDerWaalsContact O-N 3.08Å; L163-H167 PolarHBondContact O-N 2.74Å; L163-I194 HydrophobicContact CD2-CD1 4.11Å; L163-I194 HydrophobicContact CD2-CG2 4.19Å; L163-I194 HydrophobicContact CG-CD1 4.34Å; L163-G202 VanDerWaalsContact CD2-O 3.27Å; L163-G202 WeakPolarHBondContact CD2-O 3.21Å; L163-Y272 HydrophobicContact CB-CD1 3.73Å; L163-Y272 HydrophobicContact CB-CE1 3.9Å; L163-Y272 HydrophobicContact CD1-CD1 3.6Å; L163-Y272 HydrophobicContact CD1-CE1 4.44Å; L163-Y272 HydrophobicContact CD1-CG 4.48Å; L163-Y272 WeakPolarHBondContact CD1-O 3.39Å; L163-Y272 HydrophobicContact CG-CD1 4.26Å
164V92.3Very high88.9Confident1 Ų122.4 Ų22.41%0.00612%0.121CC..Hα-helixtrans-60.7-42.4179.7171.40000111.5A112 P160 T166 H167 L168 V187 A190 F191 I194A112-V164 HydrophobicContact CB-CB 4.47Å; A112-V164 HydrophobicContact CB-CG1 4.09Å; P160-V164 WeakPolarHBondContact O-CG2 3.2Å; P160-V164 PolarHBondContact O-N 2.91Å; P160-V164 VanDerWaalsContact O-N 3.1Å; V164-T166 VanDerWaalsContact C-N 3.33Å; V164-T166 PolarHBondContact O-N 2.78Å; V164-H167 PolarHBondContact O-N 2.97Å; V164-L168 HydrophobicContact CG1-CD1 3.84Å; V164-L168 HydrophobicContact CG1-CG 4.4Å; V164-L168 WeakPolarHBondContact O-CG 3.44Å; V164-L168 PolarHBondContact O-N 3.01Å; V164-V187 HydrophobicContact CG1-CB 4.42Å; V164-V187 HydrophobicContact CG1-CG1 4.05Å; V164-V187 HydrophobicContact CG1-CG2 4.42Å; V164-A190 HydrophobicContact CB-CB 4.48Å; V164-A190 HydrophobicContact CG1-CB 3.64Å; V164-A190 HydrophobicContact CG2-CB 4.2Å; V164-F191 HydrophobicContact CB-CE2 4.18Å; V164-F191 HydrophobicContact CB-CZ 4.22Å; V164-F191 HydrophobicContact CG1-CD2 4.37Å; V164-F191 HydrophobicContact CG1-CE2 4.23Å; V164-F191 HydrophobicContact CG2-CD1 3.78Å; V164-F191 HydrophobicContact CG2-CD2 3.97Å; V164-F191 HydrophobicContact CG2-CE1 3.74Å; V164-F191 HydrophobicContact CG2-CE2 3.93Å; V164-F191 HydrophobicContact CG2-CG 3.9Å; V164-F191 HydrophobicContact CG2-CZ 3.81Å; V164-I194 HydrophobicContact CG2-CD1 3.97Å
165K92.9Very high88.1Confident10 Ų1026.2 Ų26.24%0.04315%0.152CC..Hα-helixtrans-55-49.7172.8176.1-173.8-177.1171.20111.1E65 A112 A161 Y162 L163 H167 L168 Q169E65-K165 IonicContact OE1-NZ 2.62Å; E65-K165 WeakPolarHBondContact OE2-CE 3.49Å; E65-K165 IonicContact OE2-NZ 3.97Å; E65-K165 PolarHBondContact OE2-NZ 2.94Å; A112-K165 HydrophobicContact CB-CB 3.8Å; A161-K165 VanDerWaalsContact O-CB 3.24Å; A161-K165 WeakPolarHBondContact O-CB 3.18Å; A161-K165 PolarHBondContact O-N 3.33Å; Y162-K165 WeakPolarHBondContact O-CB 3.27Å; Y162-K165 PolarHBondContact O-N 3.07Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.22Å; K165-H167 PolarHBondContact O-N 3.15Å; K165-L168 PolarHBondContact O-N 3.41Å; K165-Q169 VanDerWaalsContact CE-NE2 3.26Å; K165-Q169 HydrophobicContact CG-CG 4.27Å; K165-Q169 WeakPolarHBondContact O-CB 3.1Å; K165-Q169 VanDerWaalsContact O-CG 3.24Å; K165-Q169 WeakPolarHBondContact O-CG 3.2Å; K165-Q169 PolarHBondContact O-N 3.23Å
166T90.3Very high87.7Confident0 Ų026.7 Ų26.70%016%0.155CC..Hα-helixtrans-63.2-43.4-176.5-50.80000111.2Y162 L163 V164 Q169 A170 T269 N273Y162-T166 WeakPolarHBondContact CE1-OG1 3.4Å; Y162-T166 WeakPolarHBondContact O-CB 3.4Å; Y162-T166 PolarHBondContact O-N 3.46Å; Y162-T166 PolarHBondContact O-OG1 3.3Å; L163-T166 PolarHBondContact O-N 2.68Å; L163-T166 VanDerWaalsContact O-N 3.08Å; V164-T166 VanDerWaalsContact C-N 3.33Å; V164-T166 PolarHBondContact O-N 2.78Å; T166-Q169 PolarHBondContact O-N 2.82Å; T166-A170 WeakPolarHBondContact O-CB 3.34Å; T166-A170 PolarHBondContact O-N 2.83Å; T166-T269 HydrophobicContact CG2-CG2 4.07Å; T166-N273 HydrophobicContact CG2-CB 4.47Å
167H91.6Very high86.9Confident11 Ų1125 Ų255%0.05115%0.15CC..Hα-helixtrans-60.2-46.9175.7-72.8-177.4000112.6L163 V164 K165 A170 Q171 H182 H184 Y272L163-H167 PolarHBondContact O-N 2.74Å; V164-H167 PolarHBondContact O-N 2.97Å; K165-H167 PolarHBondContact O-N 3.15Å; H167-A170 PolarHBondContact O-N 3.43Å; H167-Q171 VanDerWaalsContact O-CG 3.25Å; H167-Q171 WeakPolarHBondContact O-CG 3.37Å; H167-Q171 PolarHBondContact O-N 3.26Å; H167-H182 HydrophobicContact CB-CB 4.5Å; H167-H182 AromaticContact CD2-CE1 3.61Å; H167-H182 AromaticContact CD2-ND1 3.51Å; H167-H182 AromaticContact CE1-CD2 3.91Å; H167-H182 AromaticContact CE1-CE1 3.8Å; H167-H182 AromaticContact CE1-CG 3.98Å; H167-H182 AromaticContact CE1-ND1 3.95Å; H167-H182 AromaticContact CE1-NE2 3.85Å; H167-H182 AromaticContact CG-ND1 3.77Å; H167-H182 AromaticContact ND1-CG 3.96Å; H167-H182 AromaticContact NE2-CE1 3.31Å; H167-H182 PolarHBondContact NE2-CE1 3.42Å; H167-H182 VanDerWaalsContact NE2-CE1 3.31Å; H167-H182 AromaticContact NE2-ND1 3.63Å; H167-H182 AromaticContact NE2-NE2 3.72Å; H167-H184 AromaticContact ND1-NE2 3.46Å; H167-H184 PolarHBondContact ND1-NE2 3.12Å; H167-Y272 PolarHBondContact NE2-O 3.08Å
168L89.4Confident86.2Confident14 Ų1421 Ų217%0.07313%0.13CC..Hα-helixtrans-68.6-35.2-179.6-69172.1000112.3K108 V164 K165 Q171 H184 V187K108-L168 WeakPolarHBondContact CB-O 3.19Å; K108-L168 WeakPolarHBondContact CD-O 3.32Å; V164-L168 HydrophobicContact CG1-CD1 3.84Å; V164-L168 HydrophobicContact CG1-CG 4.4Å; V164-L168 WeakPolarHBondContact O-CG 3.44Å; V164-L168 PolarHBondContact O-N 3.01Å; K165-L168 PolarHBondContact O-N 3.41Å; L168-Q171 PolarHBondContact O-N 3.4Å; L168-H184 HydrophobicContact CD2-CB 3.89Å; L168-V187 HydrophobicContact CD1-CB 4.37Å; L168-V187 HydrophobicContact CD1-CG2 3.45Å; L168-V187 VanDerWaalsContact CD1-CG2 3.45Å
169Q90.3Very high85.7Confident2 Ų222.5 Ų22.51%0.00915%0.145CC..Hα-helixtrans-72.5-32.7178.4-70.4-175.7-27.500112.5N62 V66 T69 R70 K108 K165 T166 Q171N62-Q169 PolarHBondContact OD1-NE2 2.86Å; V66-Q169 HydrophobicContact CG2-CB 4.39Å; V66-Q169 HydrophobicContact CG2-CG 3.97Å; T69-Q169 HydrophobicContact CG2-CB 4.13Å; T69-Q169 VanDerWaalsContact CG2-OE1 3.25Å; T69-Q169 WeakPolarHBondContact OG1-CB 3.28Å; R70-Q169 PolarHBondContact NE-O 3.23Å; K108-Q169 WeakPolarHBondContact O-CG 3.49Å; K165-Q169 VanDerWaalsContact CE-NE2 3.26Å; K165-Q169 HydrophobicContact CG-CG 4.27Å; K165-Q169 WeakPolarHBondContact O-CB 3.1Å; K165-Q169 VanDerWaalsContact O-CG 3.24Å; K165-Q169 WeakPolarHBondContact O-CG 3.2Å; K165-Q169 PolarHBondContact O-N 3.23Å; T166-Q169 PolarHBondContact O-N 2.82Å; Q169-Q171 VanDerWaalsContact C-N 3.3Å
170A88.2Confident85.2Confident0 Ų025.7 Ų25.70%016%0.16CC..Hα-helixtrans-71.2-24.5173.600000113L73 T166 H167 Q181 N273L73-A170 HydrophobicContact CD1-CB 3.52Å; T166-A170 WeakPolarHBondContact O-CB 3.34Å; T166-A170 PolarHBondContact O-N 2.83Å; H167-A170 PolarHBondContact O-N 3.43Å; A170-Q181 PolarHBondContact O-NE2 2.89Å; A170-Q181 PolarHBondContact O-OE1 3.16Å; A170-N273 WeakPolarHBondContact CB-OD1 3.41Å
171Q85.9Confident84.8Confident11 Ų1126.7 Ų26.75%0.05116%0.163CC..  trans-70.6128.6-176.4-82.1167.610.100113.8R70 K108 H167 L168 Q169 H184R70-Q171 PolarHBondContact NH2-O 2.98Å; R70-Q171 VanDerWaalsContact NH2-O 3.07Å; K108-Q171 WeakPolarHBondContact CD-O 3.11Å; K108-Q171 PolarHBondContact NZ-O 3.39Å; H167-Q171 VanDerWaalsContact O-CG 3.25Å; H167-Q171 WeakPolarHBondContact O-CG 3.37Å; H167-Q171 PolarHBondContact O-N 3.26Å; L168-Q171 PolarHBondContact O-N 3.4Å; Q169-Q171 VanDerWaalsContact C-N 3.3Å; Q171-H184 PolarHBondContact NE2-CD2 3.16Å; Q171-H184 PolarHBondContact OE1-O 2.86Å
172T84.3Confident84.2Confident12 Ų1227.9 Ų27.97%0.07417%0.168CC..  trans-159174.3179.5-170.60000111.3R70 D101 I176 A177R70-T172 VanDerWaalsContact NH1-CB 3.31Å; R70-T172 PolarHBondContact NH1-OG1 3.41Å; D101-T172 PolarHBondContact OD1-OG1 2.94Å; D101-T172 WeakPolarHBondContact OD2-CB 3.49Å; D101-T172 PolarHBondContact OD2-OG1 2.86Å; T172-I176 HydrophobicContact CG2-CG1 3.88Å; T172-I176 WeakPolarHBondContact CG2-O 3.4Å; T172-I176 WeakPolarHBondContact OG1-CD1 3.21Å; T172-I176 WeakPolarHBondContact OG1-CG1 3.09Å; T172-A177 VanDerWaalsContact CG2-CA 3.45Å; T172-A177 HydrophobicContact CG2-CB 4.14Å
173V78.6Confident83.7Confident70 Ų7033.1 Ų33.142%0.42420%0.197SC..  trans-63145.6174.8-62.80000111D101 A175 I176 A177D101-V173 PolarHBondContact OD1-N 3.02Å; V173-A175 HydrophobicContact CG2-CB 4.46Å; V173-A175 PolarHBondContact O-N 3.17Å; V173-I176 HydrophobicContact CG2-CD1 4.28Å; V173-I176 HydrophobicContact CG2-CG1 3.77Å; V173-I176 PolarHBondContact O-N 3.28Å; V173-A177 PolarHBondContact O-N 3.03Å; V173-A177 VanDerWaalsContact O-N 3.16Å
174D77.5Confident83.3Confident142 Ų14233.8 Ų33.876%0.75920%0.2SC*.G310 helixtrans-53.9-30.9-173.7-66.3-32.7000113.5I176 A177D174-I176 PolarHBondContact O-N 3.45Å; D174-A177 PolarHBondContact O-N 3.48Å
175A70.8Confident82.7Confident79 Ų7941.7 Ų41.765%0.65324%0.241SC*.G310 helixtrans-61.6-21.8178.100000114.7H86 V173H86-A175 PolarHBondContact CD2-O 3.36Å; V173-A175 HydrophobicContact CG2-CB 4.46Å; V173-A175 PolarHBondContact O-N 3.17Å
176I78.3Confident82.4Confident13 Ų1342.3 Ų42.37%0.06725%0.25CC..G310 helixtrans-132.917.717962.4167.6000112.5Y87 V96 T100 T172 V173 D174Y87-I176 WeakPolarHBondContact OH-CD1 3.45Å; Y87-I176 PolarHBondContact OH-O 2.9Å; V96-I176 HydrophobicContact CG1-CD1 4.2Å; V96-I176 HydrophobicContact CG1-CG2 3.94Å; T100-I176 HydrophobicContact CG2-CD1 4.37Å; T100-I176 WeakPolarHBondContact OG1-CD1 3.35Å; T172-I176 HydrophobicContact CG2-CG1 3.88Å; T172-I176 WeakPolarHBondContact CG2-O 3.4Å; T172-I176 WeakPolarHBondContact OG1-CD1 3.21Å; T172-I176 WeakPolarHBondContact OG1-CG1 3.09Å; V173-I176 HydrophobicContact CG2-CD1 4.28Å; V173-I176 HydrophobicContact CG2-CG1 3.77Å; V173-I176 PolarHBondContact O-N 3.28Å; D174-I176 PolarHBondContact O-N 3.45Å
177A75Confident82.3Confident29 Ų2943.4 Ų43.424%0.2426%0.256CS..  trans-66.6133.9-179.100000111.7T172 V173 D174 Q181T172-A177 VanDerWaalsContact CG2-CA 3.45Å; T172-A177 HydrophobicContact CG2-CB 4.14Å; V173-A177 PolarHBondContact O-N 3.03Å; V173-A177 VanDerWaalsContact O-N 3.16Å; D174-A177 PolarHBondContact O-N 3.48Å; A177-Q181 HydrophobicContact CB-CG 3.89Å
178V76.9Confident82.2Confident10 Ų1047.3 Ų47.36%0.06129%0.285CS..  trans-136.2142.6178.8-70.20000109.5R70 L73 Q74 Y87 Q181R70-V178 HydrophobicContact CB-CG2 3.8Å; R70-V178 HydrophobicContact CG-CG2 4.11Å; R70-V178 WeakPolarHBondContact O-CG2 3.12Å; L73-V178 HydrophobicContact CB-CG2 4.39Å; Q74-V178 HydrophobicContact CB-CB 4.48Å; Q74-V178 HydrophobicContact CB-CG1 4.05Å; Q74-V178 HydrophobicContact CG-CG1 4.11Å; Y87-V178 HydrophobicContact CD2-CG1 4.18Å; Y87-V178 HydrophobicContact CE2-CG1 3.79Å; Y87-V178 HydrophobicContact CE2-CG2 3.95Å; V178-Q181 PolarHBondContact O-NE2 3.21Å
179G79Confident82.2Confident31 Ų3149 Ų4932%0.3229%0.294SS..SBendtrans62.4-171.7-16900000112.6
180H80.4Confident82.1Confident68 Ų6848.9 Ų48.932%0.31529%0.294SS..  trans-73.9133.6176.7-174.3-100.2000112H182 N273 P275H180-H182 AromaticContact CE1-CD2 3.74Å; H180-H182 AromaticContact CE1-NE2 3.74Å; H180-H182 AromaticContact ND1-CD2 3.45Å; H180-H182 PolarHBondContact ND1-CD2 3Å; H180-H182 AromaticContact ND1-CE1 3.3Å; H180-H182 PolarHBondContact ND1-CE1 2.8Å; H180-H182 VanDerWaalsContact ND1-CE1 3.3Å; H180-H182 AromaticContact ND1-CG 3.74Å; H180-H182 AromaticContact ND1-ND1 3.63Å; H180-H182 AromaticContact ND1-NE2 3.13Å; H180-H182 PolarHBondContact ND1-NE2 2.89Å; H180-H182 VanDerWaalsContact ND1-NE2 3.13Å; H180-N273 PolarHBondContact N-ND2 3.41Å; H180-N273 PolarHBondContact O-ND2 2.9Å; H180-N273 PolarHBondContact O-OD1 3.15Å; H180-P275 HydrophobicContact CB-CG 4.38Å
181Q85.3Confident82.2Confident33 Ų3351.4 Ų51.415%0.15431%0.305CS..  trans-97.6116179.9-60.6-64.4-55.800109.8A170 A177 V178A170-Q181 PolarHBondContact O-NE2 2.89Å; A170-Q181 PolarHBondContact O-OE1 3.16Å; A177-Q181 HydrophobicContact CB-CG 3.89Å; V178-Q181 PolarHBondContact O-NE2 3.21Å
182H78.6Confident82.4Confident31 Ų3154.1 Ų54.114%0.14432%0.322CS..  trans-91.60.8-176.6-66.894.6000114.8H167 H180 H184 N273H167-H182 HydrophobicContact CB-CB 4.5Å; H167-H182 AromaticContact CD2-CE1 3.61Å; H167-H182 AromaticContact CD2-ND1 3.51Å; H167-H182 AromaticContact CE1-CD2 3.91Å; H167-H182 AromaticContact CE1-CE1 3.8Å; H167-H182 AromaticContact CE1-CG 3.98Å; H167-H182 AromaticContact CE1-ND1 3.95Å; H167-H182 AromaticContact CE1-NE2 3.85Å; H167-H182 AromaticContact CG-ND1 3.77Å; H167-H182 AromaticContact ND1-CG 3.96Å; H167-H182 AromaticContact NE2-CE1 3.31Å; H167-H182 PolarHBondContact NE2-CE1 3.42Å; H167-H182 VanDerWaalsContact NE2-CE1 3.31Å; H167-H182 AromaticContact NE2-ND1 3.63Å; H167-H182 AromaticContact NE2-NE2 3.72Å; H180-H182 AromaticContact CE1-CD2 3.74Å; H180-H182 AromaticContact CE1-NE2 3.74Å; H180-H182 AromaticContact ND1-CD2 3.45Å; H180-H182 PolarHBondContact ND1-CD2 3Å; H180-H182 AromaticContact ND1-CE1 3.3Å; H180-H182 PolarHBondContact ND1-CE1 2.8Å; H180-H182 VanDerWaalsContact ND1-CE1 3.3Å; H180-H182 AromaticContact ND1-CG 3.74Å; H180-H182 AromaticContact ND1-ND1 3.63Å; H180-H182 AromaticContact ND1-NE2 3.13Å; H180-H182 PolarHBondContact ND1-NE2 2.89Å; H180-H182 VanDerWaalsContact ND1-NE2 3.13Å; H182-H184 VanDerWaalsContact CB-NE2 3.3Å; H182-H184 WeakPolarHBondContact CB-NE2 3.4Å; H182-H184 PolarHBondContact O-N 3.35Å; H182-N273 PolarHBondContact CE1-O 2.7Å
183N80.9Confident82.5Confident124 Ų12456 Ų5666%0.66333%0.334SS*.  trans33.569.6179.9-66.7-6.7000115.8
184H83.1Confident83Confident19 Ų1953 Ų539%0.08832%0.315CS..  trans-101.3139.9177-61.4-58.2000109.2H167 L168 Q171 H182 A190H167-H184 AromaticContact ND1-NE2 3.46Å; H167-H184 PolarHBondContact ND1-NE2 3.12Å; L168-H184 HydrophobicContact CD2-CB 3.89Å; Q171-H184 PolarHBondContact NE2-CD2 3.16Å; Q171-H184 PolarHBondContact OE1-O 2.86Å; H182-H184 VanDerWaalsContact CB-NE2 3.3Å; H182-H184 WeakPolarHBondContact CB-NE2 3.4Å; H182-H184 PolarHBondContact O-N 3.35Å; H184-A190 HydrophobicContact CB-CB 3.82Å
185L80.1Confident83.5Confident167 Ų16752.3 Ų52.387%0.87430%0.303SS*.SBendtrans-77.8-25.2179.2-65.5168.8000112.2D189L185-D189 HydrophobicContact CB-CB 4.32Å; L185-D189 PolarHBondContact N-OD2 3.38Å
186G86.1Confident84.3Confident22 Ų2258.4 Ų58.423%0.22731%0.309CS..SBendtrans-173.2-173.6-178.700000113.2A190G186-A190 WeakPolarHBondContact O-CB 3.5Å; G186-A190 PolarHBondContact O-N 2.87Å
187V88.5Confident84.6Confident23 Ų2364.5 Ų64.514%0.13933%0.331CS..Hα-helixtrans-68.2-48.1-1791740000111.9S111 A112 I115 V164 L168 A190 F191S111-V187 WeakPolarHBondContact OG-CG2 3.38Å; A112-V187 HydrophobicContact CB-CG1 4.3Å; A112-V187 HydrophobicContact CB-CG2 3.95Å; I115-V187 HydrophobicContact CD1-CG1 4.35Å; V164-V187 HydrophobicContact CG1-CB 4.42Å; V164-V187 HydrophobicContact CG1-CG1 4.05Å; V164-V187 HydrophobicContact CG1-CG2 4.42Å; L168-V187 HydrophobicContact CD1-CB 4.37Å; L168-V187 HydrophobicContact CD1-CG2 3.45Å; L168-V187 VanDerWaalsContact CD1-CG2 3.45Å; V187-A190 PolarHBondContact O-N 3.42Å; V187-F191 HydrophobicContact CG1-CD2 3.7Å; V187-F191 HydrophobicContact CG1-CE2 3.58Å; V187-F191 WeakPolarHBondContact O-CD2 3.49Å; V187-F191 PolarHBondContact O-N 3.35Å
188S88.3Confident84.9Confident93 Ų9364 Ų6465%0.6532%0.324SS*.Hα-helixtrans-62.1-45.1178.548.10000111.4F191 V192S188-F191 PolarHBondContact O-N 2.86Å; S188-V192 VanDerWaalsContact O-CG2 3.31Å; S188-V192 WeakPolarHBondContact O-CG2 3.17Å; S188-V192 PolarHBondContact O-N 2.85Å
189D90.3Very high85.3Confident50 Ų5064.8 Ų64.827%0.26734%0.335SS..Hα-helixtrans-60.9-44.2175.6-178.156000111.9L185 F191 V192 T193L185-D189 HydrophobicContact CB-CB 4.32Å; L185-D189 PolarHBondContact N-OD2 3.38Å; D189-F191 PolarHBondContact O-N 3.28Å; D189-V192 PolarHBondContact O-N 3.18Å; D189-T193 WeakPolarHBondContact O-CB 3.41Å; D189-T193 PolarHBondContact O-N 2.87Å; D189-T193 PolarHBondContact O-OG1 3.25Å
190A88.1Confident85.6Confident0 Ų068.6 Ų68.60%035%0.347CS..Hα-helixtrans-60.9-44.9175.200000112.2V164 H184 G186 V187 I194V164-A190 HydrophobicContact CB-CB 4.48Å; V164-A190 HydrophobicContact CG1-CB 3.64Å; V164-A190 HydrophobicContact CG2-CB 4.2Å; H184-A190 HydrophobicContact CB-CB 3.82Å; G186-A190 WeakPolarHBondContact O-CB 3.5Å; G186-A190 PolarHBondContact O-N 2.87Å; V187-A190 PolarHBondContact O-N 3.42Å; A190-I194 WeakPolarHBondContact O-CB 3.36Å; A190-I194 VanDerWaalsContact O-CD1 3.29Å; A190-I194 WeakPolarHBondContact O-CD1 3.39Å; A190-I194 WeakPolarHBondContact O-CG1 3.43Å; A190-I194 PolarHBondContact O-N 3.07Å
191F90Very high85.8Confident52 Ų5270.8 Ų70.823%0.22837%0.365CS..Hα-helixtrans-61.3-48.5176.4-87-68.2000112P160 A161 V164 V187 S188 D189 Y195 L203P160-F191 HydrophobicContact CB-CE1 3.84Å; A161-F191 HydrophobicContact CB-CZ 4.45Å; V164-F191 HydrophobicContact CB-CE2 4.18Å; V164-F191 HydrophobicContact CB-CZ 4.22Å; V164-F191 HydrophobicContact CG1-CD2 4.37Å; V164-F191 HydrophobicContact CG1-CE2 4.23Å; V164-F191 HydrophobicContact CG2-CD1 3.78Å; V164-F191 HydrophobicContact CG2-CD2 3.97Å; V164-F191 HydrophobicContact CG2-CE1 3.74Å; V164-F191 HydrophobicContact CG2-CE2 3.93Å; V164-F191 HydrophobicContact CG2-CG 3.9Å; V164-F191 HydrophobicContact CG2-CZ 3.81Å; V187-F191 HydrophobicContact CG1-CD2 3.7Å; V187-F191 HydrophobicContact CG1-CE2 3.58Å; V187-F191 WeakPolarHBondContact O-CD2 3.49Å; V187-F191 PolarHBondContact O-N 3.35Å; S188-F191 PolarHBondContact O-N 2.86Å; D189-F191 PolarHBondContact O-N 3.28Å; F191-Y195 WeakPolarHBondContact O-CB 3.25Å; F191-Y195 PolarHBondContact O-N 2.96Å; F191-L203 HydrophobicContact CD1-CD2 4.16Å; F191-L203 HydrophobicContact CE1-CD2 4.45Å
192V89.6Confident85.7Confident68 Ų6869.4 Ų69.441%0.41236%0.361SS..Hα-helixtrans-65.6-42.9-178.9172.70000110.9S188 D189 Y195 R196S188-V192 VanDerWaalsContact O-CG2 3.31Å; S188-V192 WeakPolarHBondContact O-CG2 3.17Å; S188-V192 PolarHBondContact O-N 2.85Å; D189-V192 PolarHBondContact O-N 3.18Å; V192-Y195 PolarHBondContact O-N 2.98Å; V192-R196 HydrophobicContact CG1-CG 4.32Å; V192-R196 WeakPolarHBondContact O-CB 3.35Å; V192-R196 VanDerWaalsContact O-CG 3.3Å; V192-R196 WeakPolarHBondContact O-CG 3.41Å; V192-R196 PolarHBondContact O-N 3.31Å
193T88.1Confident86.1Confident53 Ų5369 Ų6933%0.32536%0.359SS..Hα-helixtrans-65.3-45.9-179.8-650000111.3D189 R196 R197D189-T193 WeakPolarHBondContact O-CB 3.41Å; D189-T193 PolarHBondContact O-N 2.87Å; D189-T193 PolarHBondContact O-OG1 3.25Å; T193-R196 PolarHBondContact O-N 2.95Å; T193-R197 VanDerWaalsContact O-CB 3.22Å; T193-R197 WeakPolarHBondContact O-CB 3.32Å; T193-R197 PolarHBondContact O-N 3.35Å
194I88.1Confident86.4Confident7 Ų768.2 Ų68.24%0.03635%0.347CS..Hα-helixtrans-63.9-44.3176.3-64.1164.2000110L163 V164 A190 R196 R197 D198 L203L163-I194 HydrophobicContact CD2-CD1 4.11Å; L163-I194 HydrophobicContact CD2-CG2 4.19Å; L163-I194 HydrophobicContact CG-CD1 4.34Å; V164-I194 HydrophobicContact CG2-CD1 3.97Å; A190-I194 WeakPolarHBondContact O-CB 3.36Å; A190-I194 VanDerWaalsContact O-CD1 3.29Å; A190-I194 WeakPolarHBondContact O-CD1 3.39Å; A190-I194 WeakPolarHBondContact O-CG1 3.43Å; A190-I194 PolarHBondContact O-N 3.07Å; I194-R196 PolarHBondContact O-N 3.39Å; I194-R197 PolarHBondContact O-N 3.03Å; I194-D198 WeakPolarHBondContact O-CA 3.42Å; I194-D198 PolarHBondContact O-N 3.45Å; I194-L203 HydrophobicContact CG2-CD1 3.97Å; I194-L203 HydrophobicContact CG2-CG 4.45Å
195Y87.9Confident86.4Confident126 Ų12669.1 Ų69.149%0.49435%0.35SS..Hα-helixtrans-61.7-41.8178.5-179.8-100.4000112.6F191 V192 G199 L200 L203F191-Y195 WeakPolarHBondContact O-CB 3.25Å; F191-Y195 PolarHBondContact O-N 2.96Å; V192-Y195 PolarHBondContact O-N 2.98Å; Y195-G199 WeakPolarHBondContact O-CA 3.46Å; Y195-G199 PolarHBondContact O-N 3.25Å; Y195-L200 HydrophobicContact CD2-CD2 4.14Å; Y195-L200 HydrophobicContact CD2-CG 4.48Å; Y195-L200 HydrophobicContact CE2-CD2 3.6Å; Y195-L200 HydrophobicContact CE2-CG 3.79Å; Y195-L203 HydrophobicContact CD2-CD1 4.21Å
196R87.5Confident86.5Confident208 Ų20861.5 Ų61.579%0.78531%0.312SS*.Hα-helixtrans-71.7-35.5178.9-75-178.1178.5-167.50.6113V192 T193 I194V192-R196 HydrophobicContact CG1-CG 4.32Å; V192-R196 WeakPolarHBondContact O-CB 3.35Å; V192-R196 VanDerWaalsContact O-CG 3.3Å; V192-R196 WeakPolarHBondContact O-CG 3.41Å; V192-R196 PolarHBondContact O-N 3.31Å; T193-R196 PolarHBondContact O-N 2.95Å; I194-R196 PolarHBondContact O-N 3.39Å
197R84.7Confident86.4Confident140 Ų14061.3 Ų61.353%0.52831%0.306SS..Hα-helixtrans-84.4-45.8-175.8-174.8-177.6161.1158.90.5112.6T193 I194 H280T193-R197 VanDerWaalsContact O-CB 3.22Å; T193-R197 WeakPolarHBondContact O-CB 3.32Å; T193-R197 PolarHBondContact O-N 3.35Å; I194-R197 PolarHBondContact O-N 3.03Å; R197-H280 PolarHBondContact O-NE2 3.4Å
198D81.8Confident86.3Confident18 Ų1865.5 Ų65.510%0.09633%0.328CS..Hα-helixtrans-114.8-0.7-169.7-58.9-32.4000113.5I194 T201 G202 V276 H280I194-D198 WeakPolarHBondContact O-CA 3.42Å; I194-D198 PolarHBondContact O-N 3.45Å; D198-T201 PolarHBondContact O-OG1 3.3Å; D198-G202 PolarHBondContact O-N 3.16Å; D198-V276 WeakPolarHBondContact OD1-CG2 3.4Å; D198-H280 IonicContact OD1-CD2 3.42Å; D198-H280 PolarHBondContact OD1-CD2 3.42Å
199G85.5Confident86.1Confident28 Ų2861 Ų6129%0.28930%0.297SS..Hα-helixtrans67.8-163.2-179.800000113.5Y195 G202 L203Y195-G199 WeakPolarHBondContact O-CA 3.46Å; Y195-G199 PolarHBondContact O-N 3.25Å; G199-G202 PolarHBondContact O-N 2.86Å; G199-L203 VanDerWaalsContact O-CD1 3.26Å; G199-L203 WeakPolarHBondContact O-CD1 3.4Å
200L85.5Confident85.8Confident111 Ų11159.1 Ų59.158%0.58129%0.287SS*.Hα-helixtrans-65.5-38.1178.2-75.8169.4000112.5Y195 G202 L203Y195-L200 HydrophobicContact CD2-CD2 4.14Å; Y195-L200 HydrophobicContact CD2-CG 4.48Å; Y195-L200 HydrophobicContact CE2-CD2 3.6Å; Y195-L200 HydrophobicContact CE2-CG 3.79Å; L200-G202 PolarHBondContact O-N 3.49Å; L200-L203 PolarHBondContact O-N 3.48Å
201T84.1Confident85.8Confident113 Ų11360.5 Ų60.569%0.69330%0.296SS*.Hα-helixtrans-66.6-29.1-179.649.90000112.1D198 L203 W204D198-T201 PolarHBondContact O-OG1 3.3Å; T201-L203 VanDerWaalsContact C-N 3.3Å; T201-L203 PolarHBondContact O-N 3.34Å; T201-W204 PolarHBondContact O-N 3.42Å
202G82.8Confident85.7Confident5 Ų559.7 Ų59.75%0.05230%0.296CS..Hα-helixtrans-59.1-36172.700000114L163 D198 G199 L200 W204 R205L163-G202 VanDerWaalsContact CD2-O 3.27Å; L163-G202 WeakPolarHBondContact CD2-O 3.21Å; D198-G202 PolarHBondContact O-N 3.16Å; G199-G202 PolarHBondContact O-N 2.86Å; L200-G202 PolarHBondContact O-N 3.49Å; G202-W204 VanDerWaalsContact C-N 3.32Å; G202-W204 PolarHBondContact O-N 3.2Å; G202-R205 WeakPolarHBondContact O-CB 3.25Å; G202-R205 PolarHBondContact O-N 2.9Å
203L86.7Confident85.6Confident21 Ų2158 Ų5811%0.1128%0.282CS..Hα-helixtrans-69-28.2-178.1-8577.5000113.1P160 F191 I194 Y195 G199 L200 T201 R205P160-L203 WeakPolarHBondContact CA-O 3.18Å; P160-L203 HydrophobicContact CB-CB 3.98Å; P160-L203 HydrophobicContact CB-CD2 4.02Å; P160-L203 HydrophobicContact CB-CG 4.28Å; P160-L203 HydrophobicContact CG-CB 4.02Å; P160-L203 HydrophobicContact CG-CD2 4.48Å; F191-L203 HydrophobicContact CD1-CD2 4.16Å; F191-L203 HydrophobicContact CE1-CD2 4.45Å; I194-L203 HydrophobicContact CG2-CD1 3.97Å; I194-L203 HydrophobicContact CG2-CG 4.45Å; Y195-L203 HydrophobicContact CD2-CD1 4.21Å; G199-L203 VanDerWaalsContact O-CD1 3.26Å; G199-L203 WeakPolarHBondContact O-CD1 3.4Å; L200-L203 PolarHBondContact O-N 3.48Å; T201-L203 VanDerWaalsContact C-N 3.3Å; T201-L203 PolarHBondContact O-N 3.34Å; L203-R205 VanDerWaalsContact C-N 3.35Å
204W88.6Confident85.5Confident108 Ų10856.7 Ų56.741%0.40927%0.274SS..THydrogen-bonded Turntrans-95.69.9177.2-83.3-94.8000113.1L156 P160 T201 G202 G206 V207L156-W204 PolarHBondContact O-NE1 3.34Å; P160-W204 HydrophobicContact CG-CD2 4.04Å; P160-W204 HydrophobicContact CG-CE3 4.1Å; P160-W204 HydrophobicContact CG-CH2 3.87Å; P160-W204 HydrophobicContact CG-CZ2 3.77Å; P160-W204 HydrophobicContact CG-CZ3 4.03Å; T201-W204 PolarHBondContact O-N 3.42Å; G202-W204 VanDerWaalsContact C-N 3.32Å; G202-W204 PolarHBondContact O-N 3.2Å; W204-G206 PolarHBondContact O-N 3.17Å; W204-V207 VanDerWaalsContact O-CB 3.27Å; W204-V207 WeakPolarHBondContact O-CB 3.42Å; W204-V207 WeakPolarHBondContact O-CG1 3.19Å; W204-V207 PolarHBondContact O-N 2.82Å
205R81.5Confident85.2Confident38 Ų3860.7 Ų60.714%0.14329%0.294CS..THydrogen-bonded Turntrans-68.8131.6178.9-173169.8159.6154.2-18110.1G202 L203 Y272 Q274 P275 H280 K281G202-R205 WeakPolarHBondContact O-CB 3.25Å; G202-R205 PolarHBondContact O-N 2.9Å; L203-R205 VanDerWaalsContact C-N 3.35Å; R205-Y272 WeakPolarHBondContact O-CD1 3.47Å; R205-Y272 WeakPolarHBondContact O-CE1 3.48Å; R205-Q274 PolarHBondContact NH2-O 3.08Å; R205-P275 PolarHBondContact NH2-O 3.06Å; R205-H280 PolarHBondContact NH1-O 2.93Å; R205-K281 PolarHBondContact NH1-O 2.9Å
206G81.8Confident85.2Confident8 Ų856.8 Ų56.88%0.08228%0.283CS..THydrogen-bonded Turntrans93-4.7-175.200000114.4W204 N208 G209 A210 Y272W204-G206 PolarHBondContact O-N 3.17Å; G206-N208 PolarHBondContact O-N 3.27Å; G206-G209 WeakPolarHBondContact O-CA 3.42Å; G206-G209 PolarHBondContact O-N 3.29Å; G206-A210 PolarHBondContact O-N 2.84Å; G206-Y272 WeakPolarHBondContact O-CE2 3.19Å
207V85.9Confident84.9Confident17 Ų1747.2 Ų47.210%0.10325%0.249CC..Hα-helixtrans-61.4-31.1-179.983.40000113.1L156 W204 G209 A210 V211L156-V207 HydrophobicContact CD2-CB 4.49Å; L156-V207 HydrophobicContact CD2-CG1 4.16Å; L156-V207 HydrophobicContact CD2-CG2 3.53Å; L156-V207 HydrophobicContact CG-CG2 4.23Å; W204-V207 VanDerWaalsContact O-CB 3.27Å; W204-V207 WeakPolarHBondContact O-CB 3.42Å; W204-V207 WeakPolarHBondContact O-CG1 3.19Å; W204-V207 PolarHBondContact O-N 2.82Å; V207-G209 PolarHBondContact O-N 3.11Å; V207-G209 VanDerWaalsContact O-N 3.12Å; V207-A210 PolarHBondContact O-N 3.27Å; V207-V211 HydrophobicContact CG2-CG2 4.27Å; V207-V211 PolarHBondContact O-N 2.88Å
208N86Confident84.8Confident111 Ų11142.7 Ų42.759%0.59424%0.239SC*.Hα-helixtrans-59.4-21172.3-67.9-15.8000113.2G206 P212 L271G206-N208 PolarHBondContact O-N 3.27Å; N208-P212 WeakPolarHBondContact O-CD 3.29Å; N208-P212 VanDerWaalsContact O-CG 3.23Å; N208-P212 WeakPolarHBondContact O-CG 3.45Å; N208-L271 HydrophobicContact CB-CD2 4.41Å
209G83.4Confident84.8Confident0 Ų044.1 Ų44.10%025%0.253CS..Hα-helixtrans-93.2-30170.900000113.7G206 V207 R213G206-G209 WeakPolarHBondContact O-CA 3.42Å; G206-G209 PolarHBondContact O-N 3.29Å; V207-G209 PolarHBondContact O-N 3.11Å; V207-G209 VanDerWaalsContact O-N 3.12Å; G209-R213 WeakPolarHBondContact O-CB 3.34Å; G209-R213 PolarHBondContact O-N 2.9Å
210A85.1Confident84.7Confident9 Ų943.4 Ų43.47%0.07425%0.245CC..Hα-helixtrans-72.1-41.1179.400000113.2A155 G206 V207 R213 V214 Y272A155-A210 HydrophobicContact CB-CB 4.49Å; G206-A210 PolarHBondContact O-N 2.84Å; V207-A210 PolarHBondContact O-N 3.27Å; A210-R213 WeakPolarHBondContact O-CB 3.37Å; A210-R213 PolarHBondContact O-N 3Å; A210-V214 WeakPolarHBondContact O-CG2 3.27Å; A210-V214 PolarHBondContact O-N 3.3Å; A210-Y272 HydrophobicContact CB-CE2 3.95Å; A210-Y272 VanDerWaalsContact CB-OH 3.27Å; A210-Y272 WeakPolarHBondContact CB-OH 3.11Å
211V87.4Confident84.6Confident29 Ų2941.7 Ų41.718%0.17623%0.233CC..Hα-helixtrans-63.4-52.1-177.8173.30000111.5A152 A155 L156 V207 R213 V214 M215A152-V211 HydrophobicContact CB-CG1 3.93Å; A155-V211 HydrophobicContact CB-CG2 4.38Å; L156-V211 HydrophobicContact CD2-CG2 4.15Å; L156-V211 HydrophobicContact CG-CG2 4Å; V207-V211 HydrophobicContact CG2-CG2 4.27Å; V207-V211 PolarHBondContact O-N 2.88Å; V211-R213 VanDerWaalsContact C-N 3.26Å; V211-R213 PolarHBondContact O-N 3.36Å; V211-V214 PolarHBondContact O-N 2.9Å; V211-V214 VanDerWaalsContact O-N 3.17Å; V211-M215 HydrophobicContact CG1-CG 4.32Å; V211-M215 HydrophobicContact CG1-SD 3.81Å; V211-M215 WeakPolarHBondContact O-CG 3.34Å; V211-M215 PolarHBondContact O-N 3.18Å
212P88.4Confident84.3Confident35 Ų3540 Ų4023%0.22722%0.22CC..Hα-helixtrans-58.8-38.5176.5-25.435.6000112.8N208 V214 M215 V216 F264N208-P212 WeakPolarHBondContact O-CD 3.29Å; N208-P212 VanDerWaalsContact O-CG 3.23Å; N208-P212 WeakPolarHBondContact O-CG 3.45Å; P212-V214 PolarHBondContact O-N 3.1Å; P212-M215 PolarHBondContact O-N 3.45Å; P212-V216 WeakPolarHBondContact O-CB 3.46Å; P212-V216 VanDerWaalsContact O-CG2 3.25Å; P212-V216 WeakPolarHBondContact O-CG2 3.49Å; P212-V216 PolarHBondContact O-N 3.5Å; P212-F264 HydrophobicContact CB-CD1 3.94Å; P212-F264 HydrophobicContact CB-CE1 4.14Å
213R87.4Confident84.2Confident32 Ų3242.2 Ų42.212%0.12124%0.238CC..Hα-helixtrans-58.3-48.9176.1174.3-168.7165.81690.8112Y162 G209 A210 V211 G217 M261 F264 D265Y162-R213 VanDerWaalsContact CZ-NH1 3.33Å; Y162-R213 PolarHBondContact OH-NH1 2.88Å; G209-R213 WeakPolarHBondContact O-CB 3.34Å; G209-R213 PolarHBondContact O-N 2.9Å; A210-R213 WeakPolarHBondContact O-CB 3.37Å; A210-R213 PolarHBondContact O-N 3Å; V211-R213 VanDerWaalsContact C-N 3.26Å; V211-R213 PolarHBondContact O-N 3.36Å; R213-G217 PolarHBondContact O-N 2.96Å; R213-M261 HydrophobicContact CG-CG 4.17Å; R213-F264 HydrophobicContact CB-CB 3.93Å; R213-F264 HydrophobicContact CG-CB 4.34Å; R213-D265 WeakPolarHBondContact CD-OD1 3.42Å; R213-D265 WeakPolarHBondContact CG-OD1 3.49Å; R213-D265 IonicContact CZ-OD1 3.29Å; R213-D265 IonicContact NE-OD1 2.71Å; R213-D265 PolarHBondContact NE-OD1 2.89Å; R213-D265 IonicContact NH1-OD1 2.95Å; R213-D265 IonicContact NH2-OD1 2.68Å
214V84.4Confident84Confident26 Ų2642.7 Ų42.716%0.15824%0.242CC..Hα-helixtrans-68.7-39.6-178.6173.50000111.1A155 A210 V211 P212 S218A155-V214 HydrophobicContact CB-CB 4.46Å; A155-V214 HydrophobicContact CB-CG2 3.98Å; A210-V214 WeakPolarHBondContact O-CG2 3.27Å; A210-V214 PolarHBondContact O-N 3.3Å; V211-V214 PolarHBondContact O-N 2.9Å; V211-V214 VanDerWaalsContact O-N 3.17Å; P212-V214 PolarHBondContact O-N 3.1Å; V214-S218 WeakPolarHBondContact O-CB 2.92Å; V214-S218 PolarHBondContact O-N 2.94Å; V214-S218 PolarHBondContact O-OG 3.36Å
215M83.5Confident83.5Confident92 Ų9239.1 Ų39.145%0.45323%0.229SC..Hα-helixtrans-62.7-51176.4-70.1179.269.300111.8V211 P212 S218 A219V211-M215 HydrophobicContact CG1-CG 4.32Å; V211-M215 HydrophobicContact CG1-SD 3.81Å; V211-M215 WeakPolarHBondContact O-CG 3.34Å; V211-M215 PolarHBondContact O-N 3.18Å; P212-M215 PolarHBondContact O-N 3.45Å; M215-S218 PolarHBondContact O-N 3.24Å; M215-A219 WeakPolarHBondContact O-CB 3.27Å; M215-A219 PolarHBondContact O-N 3.39Å
216V86.7Confident83.3Confident43 Ų4340.1 Ų40.126%0.26124%0.239SC..Hα-helixtrans-65.2-43.2-179.8172.60000110.9P212 S218 A219 A220 F264P212-V216 WeakPolarHBondContact O-CB 3.46Å; P212-V216 VanDerWaalsContact O-CG2 3.25Å; P212-V216 WeakPolarHBondContact O-CG2 3.49Å; P212-V216 PolarHBondContact O-N 3.5Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 2.9Å; V216-A219 PolarHBondContact O-N 2.84Å; V216-A220 WeakPolarHBondContact O-CB 3.27Å; V216-A220 PolarHBondContact O-N 2.8Å; V216-F264 HydrophobicContact CB-CD2 4.22Å; V216-F264 HydrophobicContact CB-CE2 4.15Å; V216-F264 HydrophobicContact CB-CZ 4.47Å; V216-F264 HydrophobicContact CG1-CD2 3.94Å; V216-F264 HydrophobicContact CG1-CE2 3.74Å; V216-F264 HydrophobicContact CG1-CZ 4.42Å; V216-F264 HydrophobicContact CG2-CD1 4.44Å; V216-F264 HydrophobicContact CG2-CD2 4.3Å; V216-F264 HydrophobicContact CG2-CE1 4Å; V216-F264 HydrophobicContact CG2-CE2 3.86Å; V216-F264 HydrophobicContact CG2-CZ 3.7Å
217G82.6Confident83.3Confident7 Ų743.3 Ų43.37%0.07226%0.261CS..Hα-helixtrans-58.1-45.2176.300000112.2R213 Q221R213-G217 PolarHBondContact O-N 2.96Å; G217-Q221 VanDerWaalsContact O-CB 3.22Å; G217-Q221 WeakPolarHBondContact O-CB 3.43Å; G217-Q221 PolarHBondContact O-N 2.91Å
218S80.9Confident83.1Confident45 Ų4543.2 Ų43.232%0.31526%0.26SS..Hα-helixtrans-67.6-44.5179.3-55.20000112.2V214 M215 V216 Q221 L222V214-S218 WeakPolarHBondContact O-CB 2.92Å; V214-S218 PolarHBondContact O-N 2.94Å; V214-S218 PolarHBondContact O-OG 3.36Å; M215-S218 PolarHBondContact O-N 3.24Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 2.9Å; S218-Q221 PolarHBondContact O-N 2.63Å; S218-L222 WeakPolarHBondContact O-CB 3.39Å; S218-L222 PolarHBondContact O-N 2.67Å
219A82.2Confident82.5Confident48 Ų4841.8 Ų41.840%0.39725%0.248SC..Hα-helixtrans-64.3-46.7178.500000111.8M215 V216 Q221 L222 A223M215-A219 WeakPolarHBondContact O-CB 3.27Å; M215-A219 PolarHBondContact O-N 3.39Å; V216-A219 PolarHBondContact O-N 2.84Å; A219-Q221 PolarHBondContact O-N 2.87Å; A219-L222 PolarHBondContact O-N 3.39Å; A219-A223 VanDerWaalsContact O-CB 3.31Å; A219-A223 WeakPolarHBondContact O-CB 3.49Å; A219-A223 PolarHBondContact O-N 2.83Å
220A84.4Confident82.4Confident14 Ų1446.4 Ų46.412%0.11627%0.273CS..Hα-helixtrans-62.7-43.6177.900000111.2V216 T224 V257 T260V216-A220 WeakPolarHBondContact O-CB 3.27Å; V216-A220 PolarHBondContact O-N 2.8Å; A220-T224 VanDerWaalsContact O-CB 3.25Å; A220-T224 WeakPolarHBondContact O-CB 3.43Å; A220-T224 WeakPolarHBondContact O-CG2 3.48Å; A220-T224 PolarHBondContact O-N 3.41Å; A220-T224 PolarHBondContact O-OG1 2.84Å; A220-V257 HydrophobicContact CB-CG2 4.26Å; A220-T260 VanDerWaalsContact CB-OG1 3.26Å; A220-T260 WeakPolarHBondContact CB-OG1 3.34Å
221Q82.1Confident82.1Confident74 Ų7453.5 Ų53.535%0.34630%0.298SS..Hα-helixtrans-62.3-47.1178.6-170.3-173.8-62.300111.1G217 S218 A219 T224 F225 S253 V257G217-Q221 VanDerWaalsContact O-CB 3.22Å; G217-Q221 WeakPolarHBondContact O-CB 3.43Å; G217-Q221 PolarHBondContact O-N 2.91Å; S218-Q221 PolarHBondContact O-N 2.63Å; A219-Q221 PolarHBondContact O-N 2.87Å; Q221-T224 PolarHBondContact O-OG1 3.46Å; Q221-F225 WeakPolarHBondContact O-CB 3.42Å; Q221-F225 PolarHBondContact O-N 2.77Å; Q221-S253 PolarHBondContact O-OG 3.11Å; Q221-V257 HydrophobicContact CB-CG2 3.66Å; Q221-V257 HydrophobicContact CG-CG2 4.18Å
222L77.9Confident81.6Confident77 Ų7752.5 Ų52.540%0.40329%0.292SS..Hα-helixtrans-63.9-52.8-179.8-17367.7000111.3L144 S218 A219 T224 F225 T226L144-L222 HydrophobicContact CB-CD2 3.99Å; L144-L222 HydrophobicContact CD1-CD2 3.69Å; L144-L222 HydrophobicContact CD2-CD2 4.21Å; L144-L222 HydrophobicContact CG-CD2 4.15Å; S218-L222 WeakPolarHBondContact O-CB 3.39Å; S218-L222 PolarHBondContact O-N 2.67Å; A219-L222 PolarHBondContact O-N 3.39Å; L222-T224 PolarHBondContact O-N 3Å; L222-F225 PolarHBondContact O-N 2.97Å; L222-T226 HydrophobicContact CD1-CG2 4.28Å; L222-T226 WeakPolarHBondContact O-CG2 3.38Å; L222-T226 PolarHBondContact O-N 2.81Å; L222-T226 PolarHBondContact O-OG1 3.11Å
223A81.5Confident80.8Confident53 Ų5353.6 Ų53.644%0.43830%0.301SS..Hα-helixtrans-60.6-47-176.800000111.9A219 T226 S227A219-A223 VanDerWaalsContact O-CB 3.31Å; A219-A223 WeakPolarHBondContact O-CB 3.49Å; A219-A223 PolarHBondContact O-N 2.83Å; A223-T226 PolarHBondContact O-OG1 2.93Å; A223-T226 VanDerWaalsContact O-OG1 3.07Å; A223-S227 WeakPolarHBondContact O-CB 3.45Å; A223-S227 PolarHBondContact O-N 3.41Å; A223-S227 PolarHBondContact O-OG 2.97Å
224T82.1Confident80.1Confident31 Ų3159.7 Ų59.719%0.1933%0.33CS..Hα-helixtrans-70-36.4-178.659.40000111.4A220 Q221 L222 T228 S253 A256A220-T224 VanDerWaalsContact O-CB 3.25Å; A220-T224 WeakPolarHBondContact O-CB 3.43Å; A220-T224 WeakPolarHBondContact O-CG2 3.48Å; A220-T224 PolarHBondContact O-N 3.41Å; A220-T224 PolarHBondContact O-OG1 2.84Å; Q221-T224 PolarHBondContact O-OG1 3.46Å; L222-T224 PolarHBondContact O-N 3Å; T224-T228 WeakPolarHBondContact O-CB 3.38Å; T224-T228 PolarHBondContact O-N 2.86Å; T224-T228 PolarHBondContact O-OG1 3.2Å; T224-S253 WeakPolarHBondContact OG1-CA 3.37Å; T224-S253 WeakPolarHBondContact OG1-CB 3.47Å; T224-S253 PolarHBondContact OG1-OG 2.95Å; T224-A256 HydrophobicContact CG2-CB 3.47Å; T224-A256 VanDerWaalsContact CG2-CB 3.47Å
225F77.7Confident79.2Confident32 Ų3260.9 Ų60.914%0.1434%0.34CS..Hα-helixtrans-68.3-46178.3-176-95.3000111.8A29 Q221 L222 K229 A249A29-F225 HydrophobicContact CB-CD1 3.81Å; A29-F225 HydrophobicContact CB-CD2 4.04Å; A29-F225 HydrophobicContact CB-CE1 3.19Å; A29-F225 HydrophobicContact CB-CE2 3.46Å; A29-F225 VanDerWaalsContact CB-CE2 3.46Å; A29-F225 HydrophobicContact CB-CG 4.21Å; A29-F225 HydrophobicContact CB-CZ 3Å; Q221-F225 WeakPolarHBondContact O-CB 3.42Å; Q221-F225 PolarHBondContact O-N 2.77Å; L222-F225 PolarHBondContact O-N 2.97Å; F225-K229 HydrophobicContact CE1-CD 3.88Å; F225-K229 HydrophobicContact CZ-CD 4.17Å; F225-K229 WeakPolarHBondContact O-CB 3.27Å; F225-K229 PolarHBondContact O-N 3.01Å; F225-A249 HydrophobicContact CE2-CB 4.16Å
226T78.3Confident78.1Confident59 Ų5960.7 Ų60.736%0.36234%0.338SS..Hα-helixtrans-63.2-51.6178.251.30000110.9L222 A223 T228 K229 D230L222-T226 HydrophobicContact CD1-CG2 4.28Å; L222-T226 WeakPolarHBondContact O-CG2 3.38Å; L222-T226 PolarHBondContact O-N 2.81Å; L222-T226 PolarHBondContact O-OG1 3.11Å; A223-T226 PolarHBondContact O-OG1 2.93Å; A223-T226 VanDerWaalsContact O-OG1 3.07Å; T226-T228 VanDerWaalsContact C-N 3.34Å; T226-T228 PolarHBondContact O-N 3.42Å; T226-K229 PolarHBondContact O-N 3.31Å; T226-D230 PolarHBondContact O-N 3.34Å
227S81.8Confident76.7Confident76 Ų7669.3 Ų69.353%0.53137%0.366SS..Hα-helixtrans-61.7-40.9-179.6-610000112.5A223 W231A223-S227 WeakPolarHBondContact O-CB 3.45Å; A223-S227 PolarHBondContact O-N 3.41Å; A223-S227 PolarHBondContact O-OG 2.97Å; S227-W231 WeakPolarHBondContact O-CB 3.35Å; S227-W231 PolarHBondContact O-N 3.28Å
228T80.6Confident75.5Confident14 Ų1472.7 Ų72.79%0.08638%0.379CS..Hα-helixtrans-68.7-40.7177.9-510000111.3T224 T226 D230 W231 V232 A249 I252T224-T228 WeakPolarHBondContact O-CB 3.38Å; T224-T228 PolarHBondContact O-N 2.86Å; T224-T228 PolarHBondContact O-OG1 3.2Å; T226-T228 VanDerWaalsContact C-N 3.34Å; T226-T228 PolarHBondContact O-N 3.42Å; T228-D230 VanDerWaalsContact C-N 3.33Å; T228-D230 PolarHBondContact O-N 3.07Å; T228-W231 PolarHBondContact O-N 3.11Å; T228-V232 HydrophobicContact CG2-CG2 4.14Å; T228-V232 VanDerWaalsContact O-CG2 3.27Å; T228-V232 WeakPolarHBondContact O-CG2 3.2Å; T228-V232 PolarHBondContact O-N 3.4Å; T228-A249 HydrophobicContact CG2-CB 4Å; T228-I252 HydrophobicContact CG2-CB 3.96Å; T228-I252 HydrophobicContact CG2-CD1 3.71Å; T228-I252 HydrophobicContact CG2-CG1 4.41Å; T228-I252 HydrophobicContact CG2-CG2 4.02Å
229K75.1Confident74.1Confident81 Ų8180.1 Ų80.135%0.35240%0.4SS..Hα-helixtrans-63.4-41.3178.5-174.9178.5179.2-178.80111.7F225 T226 S233 A249F225-K229 HydrophobicContact CE1-CD 3.88Å; F225-K229 HydrophobicContact CZ-CD 4.17Å; F225-K229 WeakPolarHBondContact O-CB 3.27Å; F225-K229 PolarHBondContact O-N 3.01Å; T226-K229 PolarHBondContact O-N 3.31Å; K229-S233 VanDerWaalsContact O-CB 3.25Å; K229-S233 WeakPolarHBondContact O-CB 3.28Å; K229-S233 PolarHBondContact O-N 3.49Å; K229-S233 PolarHBondContact O-OG 3.02Å; K229-A249 HydrophobicContact CB-CB 4.5Å
230D79.5Confident72.7Confident97 Ų9782.2 Ų82.252%0.51942%0.417SS..Hα-helixtrans-66.1-44.3177.5-65.1-19.6000110.7T226 T228 S233 H234T226-D230 PolarHBondContact O-N 3.34Å; T228-D230 VanDerWaalsContact C-N 3.33Å; T228-D230 PolarHBondContact O-N 3.07Å; D230-S233 PolarHBondContact O-N 3.41Å; D230-H234 WeakPolarHBondContact O-CB 3.49Å; D230-H234 PolarHBondContact O-N 3.27Å
231W80.5Confident71.8Confident158 Ų15885 Ų8560%0.59843%0.43SS*.Hα-helixtrans-59.3-50.3174.9-179.877.7000112.6S227 T228 S233 H234 S235S227-W231 WeakPolarHBondContact O-CB 3.35Å; S227-W231 PolarHBondContact O-N 3.28Å; T228-W231 PolarHBondContact O-N 3.11Å; W231-S233 VanDerWaalsContact C-N 3.28Å; W231-S233 PolarHBondContact O-N 3.35Å; W231-H234 PolarHBondContact O-N 3.33Å; W231-S235 PolarHBondContact O-N 3.24Å
232V76.1Confident71.1Confident9 Ų984.2 Ų84.26%0.05544%0.436CS..Hα-helixtrans-65-33.8178.8-179.40000111.5T228 F238 T245 I248T228-V232 HydrophobicContact CG2-CG2 4.14Å; T228-V232 VanDerWaalsContact O-CG2 3.27Å; T228-V232 WeakPolarHBondContact O-CG2 3.2Å; T228-V232 PolarHBondContact O-N 3.4Å; V232-F238 HydrophobicContact CG1-CD2 4.47Å; V232-T245 HydrophobicContact CB-CG2 4Å; V232-T245 HydrophobicContact CG1-CG2 3.45Å; V232-T245 VanDerWaalsContact CG1-CG2 3.45Å; V232-I248 HydrophobicContact CG2-CG2 4.35Å
233S70.8Confident70.7Confident57 Ų5787.1 Ų87.140%0.39944%0.442SS..Hα-helixtrans-70.5-35.7178-59.90000112.3K229 D230 W231 Q236K229-S233 VanDerWaalsContact O-CB 3.25Å; K229-S233 WeakPolarHBondContact O-CB 3.28Å; K229-S233 PolarHBondContact O-N 3.49Å; K229-S233 PolarHBondContact O-OG 3.02Å; D230-S233 PolarHBondContact O-N 3.41Å; W231-S233 VanDerWaalsContact C-N 3.28Å; W231-S233 PolarHBondContact O-N 3.35Å; S233-Q236 PolarHBondContact O-NE2 3.03Å
234H72.9Confident70.1Confident160 Ų16086.6 Ų86.674%0.74143%0.431SS*.Hα-helixtrans-73.1-35.2176.3-80.9-160.2000112.7D230 W231 Q236D230-H234 WeakPolarHBondContact O-CB 3.49Å; D230-H234 PolarHBondContact O-N 3.27Å; W231-H234 PolarHBondContact O-N 3.33Å; H234-Q236 PolarHBondContact O-N 3.29Å; H234-Q236 VanDerWaalsContact O-N 3.1Å
235S66.1Low69.7Low52 Ų5286.2 Ų86.236%0.36443%0.429SS..THydrogen-bonded Turntrans-69.1-4.4-176.3-81.40000116.2W231 W237W231-S235 PolarHBondContact O-N 3.24Å; S235-W237 PolarHBondContact O-N 3.23Å
236Q61Low69.4Low87 Ų8785.9 Ų85.941%0.40743%0.432SS..  trans57.2-12.7175.4-62.7-62.9-62.200118S233 H234 F238 R239S233-Q236 PolarHBondContact O-NE2 3.03Å; H234-Q236 PolarHBondContact O-N 3.29Å; H234-Q236 VanDerWaalsContact O-N 3.1Å; Q236-F238 PolarHBondContact O-N 2.93Å; Q236-F238 VanDerWaalsContact O-N 3.16Å; Q236-R239 VanDerWaalsContact NE2-NH2 3.2Å
237W56.9Low69.2Low224 Ų22487.1 Ų87.185%0.84844%0.436SS*.THydrogen-bonded Turntrans-62.9-24.8-173.4-85.136.3000114.3S235S235-W237 PolarHBondContact O-N 3.23Å
238F56.2Low69Low79 Ų7985.8 Ų85.835%0.34642%0.422SS..THydrogen-bonded Turntrans-123.519.4-172.6-63.8-72.5000114.4V232 Q236 A240 N241 L244 I248V232-F238 HydrophobicContact CG1-CD2 4.47Å; Q236-F238 PolarHBondContact O-N 2.93Å; Q236-F238 VanDerWaalsContact O-N 3.16Å; F238-A240 PolarHBondContact O-N 3.1Å; F238-N241 PolarHBondContact O-N 2.98Å; F238-L244 HydrophobicContact CD1-CD2 3.55Å; F238-L244 HydrophobicContact CD1-CG 4.36Å; F238-L244 HydrophobicContact CE1-CD2 3.77Å; F238-L244 HydrophobicContact CG-CD2 4.49Å; F238-I248 HydrophobicContact CD2-CD1 4.37Å; F238-I248 HydrophobicContact CE2-CD1 4.06Å; F238-I248 HydrophobicContact CZ-CD1 4.15Å
239R52.3Low68.8Low201 Ų20185.1 Ų85.176%0.75842%0.418SS*.THydrogen-bonded Turntrans-54.9-16.3-176.9-101.1-162.8176.2162.1-3.5114.9Q236Q236-R239 VanDerWaalsContact NE2-NH2 3.2Å
240A53.9Low68.8Low91 Ų9183.1 Ų83.175%0.75242%0.417SS*.THydrogen-bonded Turntrans-78.2-20.5178.300000115F238F238-A240 PolarHBondContact O-N 3.1Å
241N63.7Low68.8Low74 Ų7481.7 Ų81.740%0.39641%0.414SS..  trans-138.890.8-169.4-79.6-43.5000113.1F238 W243 L244 T245F238-N241 PolarHBondContact O-N 2.98Å; N241-W243 VanDerWaalsContact CG-NE1 3.31Å; N241-W243 PolarHBondContact O-N 2.84Å; N241-W243 PolarHBondContact OD1-NE1 3.17Å; N241-L244 HydrophobicContact CB-CB 3.96Å; N241-L244 PolarHBondContact O-N 3.44Å; N241-T245 PolarHBondContact O-N 2.96Å
242A68.6Low69Low56 Ų5677.8 Ų77.846%0.46340%0.404SS..Hα-helixtrans-55.6-26.5178.800000114.3A246A242-A246 PolarHBondContact O-N 3.22Å
243W68.6Low69.2Low139 Ų13977.5 Ų77.553%0.52740%0.403SS..Hα-helixtrans-73.2-41.6177.769.8-88000112.2N241 A246 L247N241-W243 VanDerWaalsContact CG-NE1 3.31Å; N241-W243 PolarHBondContact O-N 2.84Å; N241-W243 PolarHBondContact OD1-NE1 3.17Å; W243-A246 PolarHBondContact O-N 3.46Å; W243-L247 HydrophobicContact CZ3-CD2 4.3Å; W243-L247 WeakPolarHBondContact O-CB 3.3Å; W243-L247 PolarHBondContact O-N 2.97Å
244L70.4Confident69.7Low42 Ų4275.5 Ų75.522%0.2239%0.391CS..Hα-helixtrans-69.3-40.1-177.9-17563.3000110.7F238 N241 A246 L247 I248F238-L244 HydrophobicContact CD1-CD2 3.55Å; F238-L244 HydrophobicContact CD1-CG 4.36Å; F238-L244 HydrophobicContact CE1-CD2 3.77Å; F238-L244 HydrophobicContact CG-CD2 4.49Å; N241-L244 HydrophobicContact CB-CB 3.96Å; N241-L244 PolarHBondContact O-N 3.44Å; L244-A246 PolarHBondContact O-N 2.89Å; L244-L247 PolarHBondContact O-N 2.72Å; L244-I248 HydrophobicContact CD1-CD1 4.34Å; L244-I248 HydrophobicContact CG-CD1 4.06Å; L244-I248 WeakPolarHBondContact O-CG1 3.45Å; L244-I248 PolarHBondContact O-N 3.1Å
245T73.6Confident70.4Confident22 Ų2270.9 Ų70.914%0.13537%0.374CS..Hα-helixtrans-58.3-45.8171.6-62.10000111.9V232 N241 L247 A249V232-T245 HydrophobicContact CB-CG2 4Å; V232-T245 HydrophobicContact CG1-CG2 3.45Å; V232-T245 VanDerWaalsContact CG1-CG2 3.45Å; N241-T245 PolarHBondContact O-N 2.96Å; T245-L247 VanDerWaalsContact C-N 3.34Å; T245-A249 VanDerWaalsContact O-CB 3.29Å; T245-A249 WeakPolarHBondContact O-CB 3.42Å; T245-A249 PolarHBondContact O-N 2.98Å
246A71.6Confident71.4Confident25 Ų2569.6 Ų69.621%0.20737%0.367CS..Hα-helixtrans-65-38.7177.800000111.9A242 W243 L244 A250A242-A246 PolarHBondContact O-N 3.22Å; W243-A246 PolarHBondContact O-N 3.46Å; L244-A246 PolarHBondContact O-N 2.89Å; A246-A250 WeakPolarHBondContact O-CB 3.48Å; A246-A250 PolarHBondContact O-N 3.35Å
247L73.8Confident72.5Confident86 Ų8666.1 Ų66.145%0.4535%0.351SS..Hα-helixtrans-66.4-45178.9-17763.7000112.4W243 L244 T245 A250 S251W243-L247 HydrophobicContact CZ3-CD2 4.3Å; W243-L247 WeakPolarHBondContact O-CB 3.3Å; W243-L247 PolarHBondContact O-N 2.97Å; L244-L247 PolarHBondContact O-N 2.72Å; T245-L247 VanDerWaalsContact C-N 3.34Å; L247-A250 PolarHBondContact O-N 3.05Å; L247-S251 WeakPolarHBondContact O-CB 3.38Å; L247-S251 PolarHBondContact O-N 3.36Å; L247-S251 PolarHBondContact O-OG 2.67Å
248I77.9Confident73.9Confident47 Ų4755.6 Ų55.624%0.24131%0.312CS..Hα-helixtrans-64.4-45.6176.9-67.6168.1000109.8V232 F238 L244 A250 S251 I252V232-I248 HydrophobicContact CG2-CG2 4.35Å; F238-I248 HydrophobicContact CD2-CD1 4.37Å; F238-I248 HydrophobicContact CE2-CD1 4.06Å; F238-I248 HydrophobicContact CZ-CD1 4.15Å; L244-I248 HydrophobicContact CD1-CD1 4.34Å; L244-I248 HydrophobicContact CG-CD1 4.06Å; L244-I248 WeakPolarHBondContact O-CG1 3.45Å; L244-I248 PolarHBondContact O-N 3.1Å; I248-A250 PolarHBondContact O-N 2.9Å; I248-S251 PolarHBondContact O-N 3.35Å; I248-I252 HydrophobicContact CG2-CD1 3.8Å; I248-I252 WeakPolarHBondContact O-CG1 3.33Å; I248-I252 PolarHBondContact O-N 3.45Å
249A75.7Confident75.4Confident0 Ų055.5 Ų55.50%032%0.315CS..Hα-helixtrans-61-43.417700000112.3F225 T228 K229 T245 S253F225-A249 HydrophobicContact CE2-CB 4.16Å; T228-A249 HydrophobicContact CG2-CB 4Å; K229-A249 HydrophobicContact CB-CB 4.5Å; T245-A249 VanDerWaalsContact O-CB 3.29Å; T245-A249 WeakPolarHBondContact O-CB 3.42Å; T245-A249 PolarHBondContact O-N 2.98Å; A249-S253 WeakPolarHBondContact O-CB 3.46Å; A249-S253 PolarHBondContact O-N 3.39Å
250A74.9Confident77.2Confident39 Ų3948.6 Ų48.632%0.32230%0.295SS..Hα-helixtrans-65.5-36.2176.100000112.5A246 L247 I248 G254A246-A250 WeakPolarHBondContact O-CB 3.48Å; A246-A250 PolarHBondContact O-N 3.35Å; L247-A250 PolarHBondContact O-N 3.05Å; I248-A250 PolarHBondContact O-N 2.9Å; A250-G254 PolarHBondContact O-N 3.26Å
251S80.3Confident78.8Confident68 Ų6845.6 Ų45.648%0.47627%0.266SS..Hα-helixtrans-69.5-46.8179.6-59.40000111.8L247 I248 G254 V255L247-S251 WeakPolarHBondContact O-CB 3.38Å; L247-S251 PolarHBondContact O-N 3.36Å; L247-S251 PolarHBondContact O-OG 2.67Å; I248-S251 PolarHBondContact O-N 3.35Å; S251-G254 PolarHBondContact O-N 3.45Å; S251-V255 WeakPolarHBondContact O-CG2 3.25Å; S251-V255 PolarHBondContact O-N 3.06Å
252I83.3Confident80.1Confident75 Ų7542 Ų4239%0.38525%0.247SC..Hα-helixtrans-63.9-45.4176.7-66.6168.8000110.1T228 I248 G254 V255 A256T228-I252 HydrophobicContact CG2-CB 3.96Å; T228-I252 HydrophobicContact CG2-CD1 3.71Å; T228-I252 HydrophobicContact CG2-CG1 4.41Å; T228-I252 HydrophobicContact CG2-CG2 4.02Å; I248-I252 HydrophobicContact CG2-CD1 3.8Å; I248-I252 WeakPolarHBondContact O-CG1 3.33Å; I248-I252 PolarHBondContact O-N 3.45Å; I252-G254 VanDerWaalsContact C-N 3.33Å; I252-G254 PolarHBondContact O-N 2.9Å; I252-V255 PolarHBondContact O-N 3.14Å; I252-A256 PolarHBondContact O-N 3.43Å
253S81.8Confident81.1Confident4 Ų440.3 Ų40.33%0.02823%0.231CC..Hα-helixtrans-59.2-44.2174.6179.10000111.5Q221 T224 A249 V255 A256 V257Q221-S253 PolarHBondContact O-OG 3.11Å; T224-S253 WeakPolarHBondContact OG1-CA 3.37Å; T224-S253 WeakPolarHBondContact OG1-CB 3.47Å; T224-S253 PolarHBondContact OG1-OG 2.95Å; A249-S253 WeakPolarHBondContact O-CB 3.46Å; A249-S253 PolarHBondContact O-N 3.39Å; S253-V255 PolarHBondContact O-N 3.42Å; S253-A256 PolarHBondContact O-N 3.21Å; S253-V257 WeakPolarHBondContact O-CB 3.4Å; S253-V257 VanDerWaalsContact O-CG2 3.24Å; S253-V257 WeakPolarHBondContact O-CG2 3.24Å; S253-V257 PolarHBondContact O-N 3.29Å
254G81.2Confident82.2Confident15 Ų1536 Ų3616%0.15522%0.216CC..Hα-helixtrans-60.3-40.6177.800000113.6A250 S251 I252 A258A250-G254 PolarHBondContact O-N 3.26Å; S251-G254 PolarHBondContact O-N 3.45Å; I252-G254 VanDerWaalsContact C-N 3.33Å; I252-G254 PolarHBondContact O-N 2.9Å; G254-A258 WeakPolarHBondContact O-CB 3.25Å; G254-A258 PolarHBondContact O-N 3.01Å
255V85.9Confident83.1Confident62 Ų6234 Ų3438%0.37621%0.205SC..Hα-helixtrans-64.2-47.6173.8173.30000110.7S251 I252 S253 V257 A258 I259 F312S251-V255 WeakPolarHBondContact O-CG2 3.25Å; S251-V255 PolarHBondContact O-N 3.06Å; I252-V255 PolarHBondContact O-N 3.14Å; S253-V255 PolarHBondContact O-N 3.42Å; V255-V257 VanDerWaalsContact C-N 3.34Å; V255-V257 PolarHBondContact O-N 3.39Å; V255-A258 PolarHBondContact O-N 3.46Å; V255-I259 HydrophobicContact CG1-CD1 3.85Å; V255-I259 WeakPolarHBondContact O-CG1 3.33Å; V255-I259 PolarHBondContact O-N 3.36Å; V255-F312 HydrophobicContact CG2-CE2 3.71Å; V255-F312 HydrophobicContact CG2-CZ 4.47Å
256A86.9Confident83.9Confident26 Ų2633 Ų3322%0.21520%0.199CC..Hα-helixtrans-63.5-39.4-179.800000112.3T224 I252 S253 I259 T260T224-A256 HydrophobicContact CG2-CB 3.47Å; T224-A256 VanDerWaalsContact CG2-CB 3.47Å; I252-A256 PolarHBondContact O-N 3.43Å; S253-A256 PolarHBondContact O-N 3.21Å; A256-I259 PolarHBondContact O-N 3.2Å; A256-T260 WeakPolarHBondContact O-CB 3.35Å; A256-T260 WeakPolarHBondContact O-CG2 3.37Å; A256-T260 PolarHBondContact O-N 2.94Å; A256-T260 PolarHBondContact O-OG1 2.91Å
257V85.2Confident84.9Confident13 Ų1331.9 Ų31.98%0.07919%0.189CC..Hα-helixtrans-63.6-43.9172.8172.10000110.9A220 Q221 S253 V255 I259 T260 M261A220-V257 HydrophobicContact CB-CG2 4.26Å; Q221-V257 HydrophobicContact CB-CG2 3.66Å; Q221-V257 HydrophobicContact CG-CG2 4.18Å; S253-V257 WeakPolarHBondContact O-CB 3.4Å; S253-V257 VanDerWaalsContact O-CG2 3.24Å; S253-V257 WeakPolarHBondContact O-CG2 3.24Å; S253-V257 PolarHBondContact O-N 3.29Å; V255-V257 VanDerWaalsContact C-N 3.34Å; V255-V257 PolarHBondContact O-N 3.39Å; V257-I259 VanDerWaalsContact C-N 3.35Å; V257-I259 PolarHBondContact O-N 3.2Å; V257-T260 WeakPolarHBondContact CA-OG1 3.07Å; V257-T260 PolarHBondContact O-N 2.94Å; V257-T260 PolarHBondContact O-OG1 3.17Å; V257-M261 HydrophobicContact CG1-CB 4.48Å; V257-M261 WeakPolarHBondContact O-CB 3.44Å; V257-M261 PolarHBondContact O-N 3.19Å
258A85.4Confident85.7Confident4 Ų427.8 Ų27.83%0.03317%0.168CC..Hα-helixtrans-60.3-45.1177.400000111.5G254 V255 T262 V311G254-A258 WeakPolarHBondContact O-CB 3.25Å; G254-A258 PolarHBondContact O-N 3.01Å; V255-A258 PolarHBondContact O-N 3.46Å; A258-T262 VanDerWaalsContact O-CB 3.28Å; A258-T262 WeakPolarHBondContact O-CB 3.2Å; A258-T262 WeakPolarHBondContact O-CG2 3.49Å; A258-T262 PolarHBondContact O-N 3Å; A258-T262 PolarHBondContact O-OG1 3.19Å; A258-V311 HydrophobicContact CB-CG1 4.3Å
259I89.3Confident86.2Confident77 Ų7725.5 Ų25.540%0.39516%0.157SC..Hα-helixtrans-63-46.4178.7-66.4166.9000110.9V255 A256 V257 T262 P263 Y305V255-I259 HydrophobicContact CG1-CD1 3.85Å; V255-I259 WeakPolarHBondContact O-CG1 3.33Å; V255-I259 PolarHBondContact O-N 3.36Å; A256-I259 PolarHBondContact O-N 3.2Å; V257-I259 VanDerWaalsContact C-N 3.35Å; V257-I259 PolarHBondContact O-N 3.2Å; I259-T262 PolarHBondContact O-OG1 3.47Å; I259-T262 VanDerWaalsContact O-OG1 3.08Å; I259-P263 WeakPolarHBondContact O-CD 3.35Å; I259-Y305 HydrophobicContact CG2-CE1 4.26Å; I259-Y305 WeakPolarHBondContact O-CE1 3.47Å
260T88.5Confident86.9Confident56 Ų5625.5 Ų25.534%0.34416%0.157SC..Hα-helixtrans-75.4-34.3-176.1510000113.6A220 A256 V257 P263 F264A220-T260 VanDerWaalsContact CB-OG1 3.26Å; A220-T260 WeakPolarHBondContact CB-OG1 3.34Å; A256-T260 WeakPolarHBondContact O-CB 3.35Å; A256-T260 WeakPolarHBondContact O-CG2 3.37Å; A256-T260 PolarHBondContact O-N 2.94Å; A256-T260 PolarHBondContact O-OG1 2.91Å; V257-T260 WeakPolarHBondContact CA-OG1 3.07Å; V257-T260 PolarHBondContact O-N 2.94Å; V257-T260 PolarHBondContact O-OG1 3.17Å; T260-P263 WeakPolarHBondContact O-CD 3.48Å; T260-P263 WeakPolarHBondContact O-CG 3.37Å; T260-F264 WeakPolarHBondContact O-CD2 3.4Å
261M88.3Confident87.6Confident27 Ų2724 Ų2413%0.13314%0.143CC..Hα-helixtrans-85.7-28.3-176.1-167.9-176.977.800113.3R213 V257 F264 D265R213-M261 HydrophobicContact CG-CG 4.17Å; V257-M261 HydrophobicContact CG1-CB 4.48Å; V257-M261 WeakPolarHBondContact O-CB 3.44Å; V257-M261 PolarHBondContact O-N 3.19Å; M261-F264 PolarHBondContact O-N 3.49Å; M261-F264 VanDerWaalsContact O-N 3.11Å; M261-D265 VanDerWaalsContact CE-OD2 3.3Å; M261-D265 WeakPolarHBondContact CE-OD2 3.2Å; M261-D265 PolarHBondContact O-N 2.97Å
262T89.9Confident88Confident0 Ų020.9 Ų20.90%012%0.121CC..Hα-helixtrans-53.3-43.4-178.843.30000115.8A258 I259 F264 D265 V266 Y305 M308 V311A258-T262 VanDerWaalsContact O-CB 3.28Å; A258-T262 WeakPolarHBondContact O-CB 3.2Å; A258-T262 WeakPolarHBondContact O-CG2 3.49Å; A258-T262 PolarHBondContact O-N 3Å; A258-T262 PolarHBondContact O-OG1 3.19Å; I259-T262 PolarHBondContact O-OG1 3.47Å; I259-T262 VanDerWaalsContact O-OG1 3.08Å; T262-F264 VanDerWaalsContact C-N 3.32Å; T262-F264 PolarHBondContact O-N 3.41Å; T262-D265 WeakPolarHBondContact O-CB 3.43Å; T262-D265 PolarHBondContact O-N 3.5Å; T262-V266 WeakPolarHBondContact O-CG2 3.11Å; T262-V266 PolarHBondContact O-N 2.93Å; T262-Y305 WeakPolarHBondContact OG1-CD1 3.26Å; T262-M308 HydrophobicContact CG2-CB 3.94Å; T262-M308 HydrophobicContact CG2-CG 4.01Å; T262-V311 HydrophobicContact CG2-CB 4.27Å; T262-V311 HydrophobicContact CG2-CG1 4.25Å; T262-V311 HydrophobicContact CG2-CG2 4.22Å
263P91.1Very high88.2Confident19 Ų1917.3 Ų17.312%0.12310%0.103CC..Hα-helixtrans-60.9-40.8176.121.5-33.6000112.5I259 T260 V266 I267 L304I259-P263 WeakPolarHBondContact O-CD 3.35Å; T260-P263 WeakPolarHBondContact O-CD 3.48Å; T260-P263 WeakPolarHBondContact O-CG 3.37Å; P263-V266 PolarHBondContact O-N 3.21Å; P263-I267 WeakPolarHBondContact O-CD1 3.27Å; P263-I267 VanDerWaalsContact O-CG1 3.32Å; P263-I267 WeakPolarHBondContact O-CG1 3.41Å; P263-I267 PolarHBondContact O-N 3.38Å; P263-I267 VanDerWaalsContact O-N 3.16Å; P263-L304 WeakPolarHBondContact CA-O 3.26Å; P263-L304 HydrophobicContact CB-CB 4.06Å; P263-L304 HydrophobicContact CB-CD1 4.5Å
264F91.5Very high88.3Confident49 Ų4917.5 Ų17.522%0.21510%0.103CC..Hα-helixtrans-68.9-35.6176.9-63.7-88.4000111.9P212 R213 V216 T260 M261 T262 S268 F288P212-F264 HydrophobicContact CB-CD1 3.94Å; P212-F264 HydrophobicContact CB-CE1 4.14Å; R213-F264 HydrophobicContact CB-CB 3.93Å; R213-F264 HydrophobicContact CG-CB 4.34Å; V216-F264 HydrophobicContact CB-CD2 4.22Å; V216-F264 HydrophobicContact CB-CE2 4.15Å; V216-F264 HydrophobicContact CB-CZ 4.47Å; V216-F264 HydrophobicContact CG1-CD2 3.94Å; V216-F264 HydrophobicContact CG1-CE2 3.74Å; V216-F264 HydrophobicContact CG1-CZ 4.42Å; V216-F264 HydrophobicContact CG2-CD1 4.44Å; V216-F264 HydrophobicContact CG2-CD2 4.3Å; V216-F264 HydrophobicContact CG2-CE1 4Å; V216-F264 HydrophobicContact CG2-CE2 3.86Å; V216-F264 HydrophobicContact CG2-CZ 3.7Å; T260-F264 WeakPolarHBondContact O-CD2 3.4Å; M261-F264 PolarHBondContact O-N 3.49Å; M261-F264 VanDerWaalsContact O-N 3.11Å; T262-F264 VanDerWaalsContact C-N 3.32Å; T262-F264 PolarHBondContact O-N 3.41Å; F264-S268 WeakPolarHBondContact O-CB 3.23Å; F264-S268 PolarHBondContact O-N 2.98Å; F264-F288 AromaticContact CD1-CE2 3.88Å; F264-F288 HydrophobicContact CD1-CE2 3.88Å; F264-F288 AromaticContact CD1-CZ 3.5Å; F264-F288 HydrophobicContact CD1-CZ 3.5Å; F264-F288 VanDerWaalsContact CD1-CZ 3.5Å; F264-F288 HydrophobicContact CE1-CE1 4.31Å; F264-F288 HydrophobicContact CE1-CE2 4.38Å; F264-F288 AromaticContact CE1-CZ 3.58Å; F264-F288 HydrophobicContact CE1-CZ 3.58Å
265D89.6Confident88.3Confident0 Ų017.6 Ų17.60%010%0.101CC..Hα-helixtrans-61-47.5173.8-77-6.7000111.5K68 R213 M261 T262 S268 T269K68-D265 WeakPolarHBondContact CE-OD2 3.46Å; K68-D265 IonicContact NZ-OD2 3.95Å; K68-D265 PolarHBondContact NZ-OD2 3.39Å; R213-D265 WeakPolarHBondContact CD-OD1 3.42Å; R213-D265 WeakPolarHBondContact CG-OD1 3.49Å; R213-D265 IonicContact CZ-OD1 3.29Å; R213-D265 IonicContact NE-OD1 2.71Å; R213-D265 PolarHBondContact NE-OD1 2.89Å; R213-D265 IonicContact NH1-OD1 2.95Å; R213-D265 IonicContact NH2-OD1 2.68Å; M261-D265 VanDerWaalsContact CE-OD2 3.3Å; M261-D265 WeakPolarHBondContact CE-OD2 3.2Å; M261-D265 PolarHBondContact O-N 2.97Å; T262-D265 WeakPolarHBondContact O-CB 3.43Å; T262-D265 PolarHBondContact O-N 3.5Å; D265-S268 PolarHBondContact O-N 3.43Å; D265-T269 WeakPolarHBondContact O-CB 3.42Å; D265-T269 PolarHBondContact O-N 3.08Å; D265-T269 PolarHBondContact O-OG1 2.84Å
266V90.6Very high87.7Confident0 Ų015.1 Ų15.10%09%0.086CC..Hα-helixtrans-62-47.3-179.1172.70000110.8Q72 T262 P263 T269 R270 L304 K306Q72-V266 HydrophobicContact CB-CG2 4.46Å; Q72-V266 HydrophobicContact CG-CG2 3.94Å; T262-V266 WeakPolarHBondContact O-CG2 3.11Å; T262-V266 PolarHBondContact O-N 2.93Å; P263-V266 PolarHBondContact O-N 3.21Å; V266-T269 PolarHBondContact O-N 2.85Å; V266-R270 WeakPolarHBondContact O-CD 3.44Å; V266-R270 WeakPolarHBondContact O-CG 3.37Å; V266-R270 PolarHBondContact O-N 2.96Å; V266-R270 VanDerWaalsContact O-N 3.09Å; V266-L304 WeakPolarHBondContact CG2-O 3.47Å; V266-K306 VanDerWaalsContact CG2-O 3.24Å; V266-K306 WeakPolarHBondContact CG2-O 3.2Å
267I91.1Very high87.1Confident2 Ų216.9 Ų16.91%0.019%0.092CC..Hα-helixtrans-63.3-45.7179.2-65.2162.1000110.6P263 R270 L271 F288 C291 L292 L304P263-I267 WeakPolarHBondContact O-CD1 3.27Å; P263-I267 VanDerWaalsContact O-CG1 3.32Å; P263-I267 WeakPolarHBondContact O-CG1 3.41Å; P263-I267 PolarHBondContact O-N 3.38Å; P263-I267 VanDerWaalsContact O-N 3.16Å; I267-R270 PolarHBondContact O-N 2.83Å; I267-L271 VanDerWaalsContact O-CB 3.31Å; I267-L271 WeakPolarHBondContact O-CB 3.47Å; I267-L271 PolarHBondContact O-N 3.44Å; I267-F288 HydrophobicContact CB-CD2 4.39Å; I267-F288 HydrophobicContact CB-CE2 3.99Å; I267-F288 HydrophobicContact CD1-CE2 3.95Å; I267-F288 HydrophobicContact CD1-CZ 3.83Å; I267-F288 HydrophobicContact CG2-CD2 3.42Å; I267-F288 VanDerWaalsContact CG2-CD2 3.42Å; I267-F288 HydrophobicContact CG2-CE2 3.51Å; I267-F288 HydrophobicContact CG2-CG 4.26Å; I267-F288 HydrophobicContact CG2-CZ 4.38Å; I267-C291 HydrophobicContact CG2-CB 3.98Å; I267-L292 HydrophobicContact CD1-CB 3.98Å; I267-L292 HydrophobicContact CD1-CD1 3.69Å; I267-L292 HydrophobicContact CD1-CG 4.38Å; I267-L304 HydrophobicContact CD1-CD2 4.08Å; I267-L304 HydrophobicContact CG1-CD2 4.06Å
268S90.6Very high86.2Confident0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-59.3-49.9178.1-177.60000111.1F264 D265 R270 L271 Y272F264-S268 WeakPolarHBondContact O-CB 3.23Å; F264-S268 PolarHBondContact O-N 2.98Å; D265-S268 PolarHBondContact O-N 3.43Å; S268-R270 VanDerWaalsContact C-N 3.31Å; S268-R270 PolarHBondContact O-N 2.85Å; S268-L271 PolarHBondContact O-N 3.18Å; S268-Y272 WeakPolarHBondContact O-CD2 3.49Å; S268-Y272 PolarHBondContact O-N 3.09Å; S268-Y272 WeakPolarHBondContact OG-CD2 3.16Å; S268-Y272 WeakPolarHBondContact OG-CE2 3.26Å
269T90Very high85Confident0 Ų031.7 Ų31.70%016%0.157CC..Hα-helixtrans-58.8-40.8179.8-62.30000112.3T69 Q72 L73 T166 D265 V266 N273T69-T269 HydrophobicContact CG2-CG2 4.38Å; Q72-T269 HydrophobicContact CB-CG2 4.18Å; Q72-T269 PolarHBondContact OE1-OG1 3.06Å; L73-T269 HydrophobicContact CD1-CG2 4.44Å; L73-T269 HydrophobicContact CD2-CG2 4.08Å; L73-T269 HydrophobicContact CG-CG2 4.04Å; T166-T269 HydrophobicContact CG2-CG2 4.07Å; D265-T269 WeakPolarHBondContact O-CB 3.42Å; D265-T269 PolarHBondContact O-N 3.08Å; D265-T269 PolarHBondContact O-OG1 2.84Å; V266-T269 PolarHBondContact O-N 2.85Å; T269-N273 WeakPolarHBondContact O-CB 3.44Å; T269-N273 PolarHBondContact O-N 3.12Å
270R90.4Very high83.8Confident0 Ų032.7 Ų32.70%016%0.16CC..Hα-helixtrans-69.6-41.8177.3-72.6167.2174.1-120.26.8112.9Q72 L73 E76 V266 I267 S268 Y272 N273 Q274 Y285 E299Q72-R270 PolarHBondContact O-NE 3.42Å; Q72-R270 VanDerWaalsContact O-NE 3.15Å; Q72-R270 PolarHBondContact O-NH2 3.01Å; L73-R270 HydrophobicContact CD2-CG 4.04Å; E76-R270 WeakPolarHBondContact OE1-CG 3.06Å; V266-R270 WeakPolarHBondContact O-CD 3.44Å; V266-R270 WeakPolarHBondContact O-CG 3.37Å; V266-R270 PolarHBondContact O-N 2.96Å; V266-R270 VanDerWaalsContact O-N 3.09Å; I267-R270 PolarHBondContact O-N 2.83Å; S268-R270 VanDerWaalsContact C-N 3.31Å; S268-R270 PolarHBondContact O-N 2.85Å; R270-Y272 VanDerWaalsContact C-N 3.27Å; R270-Y272 PolarHBondContact O-N 3.11Å; R270-N273 PolarHBondContact O-N 3.04Å; R270-Q274 PolarHBondContact O-N 3.42Å; R270-Y285 HydrophobicContact CB-CE2 3.97Å; R270-Y285 PolarHBondContact NH1-OH 3.41Å; R270-E299 IonicContact CZ-OE1 3.53Å; R270-E299 IonicContact CZ-OE2 2.8Å; R270-E299 IonicContact NH1-OE1 3.96Å; R270-E299 PolarHBondContact NH1-OE1 3.46Å; R270-E299 IonicContact NH1-OE2 3.24Å; R270-E299 IonicContact NH2-OE1 2.67Å; R270-E299 PolarHBondContact NH2-OE1 3.39Å; R270-E299 IonicContact NH2-OE2 3.65Å; R270-E299 PolarHBondContact NH2-OE2 3.08Å
271L88.9Confident82.7Confident7 Ų736.9 Ų36.94%0.03717%0.173CC..Hα-helixtrans-66.3-30.9177.6-163.372.8000112.3N208 I267 S268 Q274N208-L271 HydrophobicContact CB-CD2 4.41Å; I267-L271 VanDerWaalsContact O-CB 3.31Å; I267-L271 WeakPolarHBondContact O-CB 3.47Å; I267-L271 PolarHBondContact O-N 3.44Å; S268-L271 PolarHBondContact O-N 3.18Å; L271-Q274 VanDerWaalsContact O-CG 3.3Å; L271-Q274 WeakPolarHBondContact O-CG 3.33Å; L271-Q274 PolarHBondContact O-NE2 3.42Å
272Y87.8Confident81.9Confident3 Ų336.4 Ų36.41%0.01218%0.175CC..Hα-helixtrans-75.8-36.2171.5-82.6-68.2000112.5S159 Y162 L163 H167 R205 G206 A210 S268 R270S159-Y272 PolarHBondContact OG-OH 2.94Å; Y162-Y272 HydrophobicContact CD1-CD1 4.38Å; Y162-Y272 AromaticContact CD1-CD2 3.54Å; Y162-Y272 HydrophobicContact CD1-CD2 3.54Å; Y162-Y272 HydrophobicContact CD1-CE1 4.19Å; Y162-Y272 AromaticContact CD1-CE2 3.33Å; Y162-Y272 HydrophobicContact CD1-CE2 3.33Å; Y162-Y272 HydrophobicContact CD1-CG 4.1Å; Y162-Y272 AromaticContact CD1-CZ 3.69Å; Y162-Y272 AromaticContact CE1-CD2 3.55Å; Y162-Y272 HydrophobicContact CE1-CD2 3.55Å; Y162-Y272 AromaticContact CE1-CE2 3.65Å; Y162-Y272 HydrophobicContact CE1-CE2 3.65Å; Y162-Y272 HydrophobicContact CE1-CG 4.31Å; Y162-Y272 HydrophobicContact CG-CE2 4.45Å; L163-Y272 HydrophobicContact CB-CD1 3.73Å; L163-Y272 HydrophobicContact CB-CE1 3.9Å; L163-Y272 HydrophobicContact CD1-CD1 3.6Å; L163-Y272 HydrophobicContact CD1-CE1 4.44Å; L163-Y272 HydrophobicContact CD1-CG 4.48Å; L163-Y272 WeakPolarHBondContact CD1-O 3.39Å; L163-Y272 HydrophobicContact CG-CD1 4.26Å; H167-Y272 PolarHBondContact NE2-O 3.08Å; R205-Y272 WeakPolarHBondContact O-CD1 3.47Å; R205-Y272 WeakPolarHBondContact O-CE1 3.48Å; G206-Y272 WeakPolarHBondContact O-CE2 3.19Å; A210-Y272 HydrophobicContact CB-CE2 3.95Å; A210-Y272 VanDerWaalsContact CB-OH 3.27Å; A210-Y272 WeakPolarHBondContact CB-OH 3.11Å; S268-Y272 WeakPolarHBondContact O-CD2 3.49Å; S268-Y272 PolarHBondContact O-N 3.09Å; S268-Y272 WeakPolarHBondContact OG-CD2 3.16Å; S268-Y272 WeakPolarHBondContact OG-CE2 3.26Å; R270-Y272 VanDerWaalsContact C-N 3.27Å; R270-Y272 PolarHBondContact O-N 3.11Å
273N88.1Confident81.3Confident0 Ų043.6 Ų43.60%020%0.202CC..Hα-helixtrans-91.3-4.8-175.9-164.165.1000115.3L73 T166 A170 H180 H182 T269 R270L73-N273 HydrophobicContact CD1-CB 3.98Å; L73-N273 WeakPolarHBondContact CD1-ND2 3.13Å; L73-N273 HydrophobicContact CD2-CB 3.65Å; L73-N273 HydrophobicContact CG-CB 4.47Å; T166-N273 HydrophobicContact CG2-CB 4.47Å; A170-N273 WeakPolarHBondContact CB-OD1 3.41Å; H180-N273 PolarHBondContact N-ND2 3.41Å; H180-N273 PolarHBondContact O-ND2 2.9Å; H180-N273 PolarHBondContact O-OD1 3.15Å; H182-N273 PolarHBondContact CE1-O 2.7Å; T269-N273 WeakPolarHBondContact O-CB 3.44Å; T269-N273 PolarHBondContact O-N 3.12Å; R270-N273 PolarHBondContact O-N 3.04Å
274Q83.6Confident80.7Confident7 Ų745 Ų453%0.03321%0.209CC..PPolyproline II helixtrans-68.8146-176.954.6163.9-23.300113.5R205 R270 L271 L284 Y285R205-Q274 PolarHBondContact NH2-O 3.08Å; R270-Q274 PolarHBondContact O-N 3.42Å; L271-Q274 VanDerWaalsContact O-CG 3.3Å; L271-Q274 WeakPolarHBondContact O-CG 3.33Å; L271-Q274 PolarHBondContact O-NE2 3.42Å; Q274-L284 HydrophobicContact CB-CB 4.21Å; Q274-L284 HydrophobicContact CB-CD1 4.02Å; Q274-L284 HydrophobicContact CB-CG 4.43Å; Q274-Y285 HydrophobicContact CB-CD2 4.21Å; Q274-Y285 PolarHBondContact NE2-O 3.28Å; Q274-Y285 PolarHBondContact OE1-O 3.4Å
275P80.9Confident80.3Confident17 Ų1742.8 Ų42.811%0.1120%0.199CC..PPolyproline II helixtrans-66.5151.5175.824.2-27.2000112.5H180 R205 R283 L284H180-P275 HydrophobicContact CB-CG 4.38Å; R205-P275 PolarHBondContact NH2-O 3.06Å; P275-R283 HydrophobicContact CG-CB 4.24Å; P275-R283 PolarHBondContact O-N 2.96Å; P275-R283 VanDerWaalsContact O-N 3.14Å; P275-L284 VanDerWaalsContact CD-CD1 3.47Å; P275-L284 HydrophobicContact CG-CD1 4.22Å; P275-L284 HydrophobicContact CG-CG 4.25Å
276V74.6Confident79.9Confident11 Ų1149.5 Ų49.57%0.06723%0.234CC..BIsolated β-bridgetrans-96141.3176.3-48.40000110.2D198 K281D198-V276 WeakPolarHBondContact OD1-CG2 3.4Å; V276-K281 WeakPolarHBondContact CA-O 3.42Å
277D74.6Confident79.6Confident62 Ų6250.1 Ų50.133%0.33224%0.241SC..PPolyproline II helixtrans-85.1173170.9-140.2-7.2000111.7F279 H280 K281 R283D277-F279 PolarHBondContact O-N 3.37Å; D277-F279 VanDerWaalsContact O-N 3.14Å; D277-H280 PolarHBondContact O-N 2.94Å; D277-K281 PolarHBondContact N-O 3.49Å; D277-R283 HydrophobicContact CB-CG 3.63Å; D277-R283 VanDerWaalsContact CG-NE 3.31Å; D277-R283 IonicContact OD1-CZ 3.19Å; D277-R283 IonicContact OD1-NE 2.76Å; D277-R283 PolarHBondContact OD1-NE 2.69Å; D277-R283 IonicContact OD1-NH2 2.77Å; D277-R283 PolarHBondContact OD1-NH2 3.21Å; D277-R283 IonicContact OD2-NE 3.92Å
278E65.1Low79.5Confident165 Ų16551.9 Ų51.977%0.77125%0.249SC*.THydrogen-bonded Turntrans-58.4-25.5176.9-72.2-176.9161.400113.2H280E278-H280 VanDerWaalsContact C-N 3.33Å
279F60.9Low79.4Confident163 Ų16356.6 Ų56.672%0.71528%0.277SS*.THydrogen-bonded Turntrans-92.320.5175.1-58.7-76.4000113.8D277 K281D277-F279 PolarHBondContact O-N 3.37Å; D277-F279 VanDerWaalsContact O-N 3.14Å; F279-K281 PolarHBondContact O-N 3.45Å
280H64.8Low79.4Confident99 Ų9958.3 Ų58.346%0.45829%0.287SS..SBendtrans60.211.1178.8-54.7101.3000115.6R197 D198 R205 D277 E278R197-H280 PolarHBondContact O-NE2 3.4Å; D198-H280 IonicContact OD1-CD2 3.42Å; D198-H280 PolarHBondContact OD1-CD2 3.42Å; R205-H280 PolarHBondContact NH1-O 2.93Å; D277-H280 PolarHBondContact O-N 2.94Å; E278-H280 VanDerWaalsContact C-N 3.33Å
281K64.5Low79.3Confident144 Ų14458.3 Ų58.363%0.62629%0.287SS*.SBendtrans-87159.9176.5-71.1-176.3-178.2177.90112.1R205 V276 D277 F279 R283R205-K281 PolarHBondContact NH1-O 2.9Å; V276-K281 WeakPolarHBondContact CA-O 3.42Å; D277-K281 PolarHBondContact N-O 3.49Å; F279-K281 PolarHBondContact O-N 3.45Å; K281-R283 PolarHBondContact O-N 3.43Å
282G71.3Confident79.4Confident17 Ų1760.8 Ų60.818%0.17530%0.299CS..BIsolated β-bridgetrans-66.2116.4170.900000111.8L284G282-L284 VanDerWaalsContact C-N 3.3Å
283R76.4Confident79.5Confident150 Ų15065.5 Ų65.557%0.56632%0.324SS*.SBendtrans-65.9-36.1175.5-82.9-171.3173.1168.93.2111.8P275 D277 K281P275-R283 HydrophobicContact CG-CB 4.24Å; P275-R283 PolarHBondContact O-N 2.96Å; P275-R283 VanDerWaalsContact O-N 3.14Å; D277-R283 HydrophobicContact CB-CG 3.63Å; D277-R283 VanDerWaalsContact CG-NE 3.31Å; D277-R283 IonicContact OD1-CZ 3.19Å; D277-R283 IonicContact OD1-NE 2.76Å; D277-R283 PolarHBondContact OD1-NE 2.69Å; D277-R283 IonicContact OD1-NH2 2.77Å; D277-R283 PolarHBondContact OD1-NH2 3.21Å; D277-R283 IonicContact OD2-NE 3.92Å; K281-R283 PolarHBondContact O-N 3.43Å
284L79.7Confident79.6Confident49 Ų4968.5 Ų68.526%0.25734%0.337SS..SBendtrans-90.6-42.5-176.8-61.7173000111.5L77 Q274 P275 G282 K294L77-L284 HydrophobicContact CD1-CB 4.27Å; L77-L284 HydrophobicContact CD1-CD2 3.91Å; Q274-L284 HydrophobicContact CB-CB 4.21Å; Q274-L284 HydrophobicContact CB-CD1 4.02Å; Q274-L284 HydrophobicContact CB-CG 4.43Å; P275-L284 VanDerWaalsContact CD-CD1 3.47Å; P275-L284 HydrophobicContact CG-CD1 4.22Å; P275-L284 HydrophobicContact CG-CG 4.25Å; G282-L284 VanDerWaalsContact C-N 3.3Å; L284-K294 PolarHBondContact O-NZ 2.88Å
285Y83.4Confident79.9Confident2 Ų268.2 Ų68.21%0.00834%0.336CS..  trans-135.3128.5-170.6-52.9-67.4000112.3E76 L77 R270 Q274 D290 C291 K294E76-Y285 WeakPolarHBondContact OE1-CE2 3.23Å; L77-Y285 HydrophobicContact CD1-CE1 4.18Å; L77-Y285 HydrophobicContact CD2-CE1 3.77Å; L77-Y285 WeakPolarHBondContact CD2-OH 3.5Å; L77-Y285 HydrophobicContact CG-CE1 4.23Å; L77-Y285 WeakPolarHBondContact CG-OH 3.08Å; R270-Y285 HydrophobicContact CB-CE2 3.97Å; R270-Y285 PolarHBondContact NH1-OH 3.41Å; Q274-Y285 HydrophobicContact CB-CD2 4.21Å; Q274-Y285 PolarHBondContact NE2-O 3.28Å; Q274-Y285 PolarHBondContact OE1-O 3.4Å; Y285-D290 WeakPolarHBondContact CA-OD2 3.44Å; Y285-C291 HydrophobicContact CD1-CB 3.55Å; Y285-C291 HydrophobicContact CD2-CB 4.47Å; Y285-C291 HydrophobicContact CE1-CB 3.97Å; Y285-C291 VanDerWaalsContact CE1-SG 3.55Å; Y285-C291 HydrophobicContact CG-CB 3.79Å; Y285-K294 HydrophobicContact CD1-CD 4.03Å; Y285-K294 HydrophobicContact CE1-CB 4.16Å; Y285-K294 HydrophobicContact CE1-CD 4.23Å
286L80.9Confident80.3Confident141 Ų14169.1 Ų69.174%0.73834%0.343SS*.SBendtrans-77.9-24.8175.4-66.6169.9000112.3D290L286-D290 HydrophobicContact CB-CB 4.29Å; L286-D290 PolarHBondContact N-OD2 3.3Å
287G84.8Confident81Confident14 Ų1476.3 Ų76.314%0.14438%0.375CS..SBendtrans-178.3-170.7-178.400000113.2C291G287-C291 WeakPolarHBondContact O-CB 3.22Å; G287-C291 PolarHBondContact O-N 2.98Å
288F87.6Confident81.6Confident39 Ų3975 Ų7517%0.17137%0.373CS..Hα-helixtrans-63-48.2-177.7179.3-91.5000112.6F264 I267 C291 L292F264-F288 AromaticContact CD1-CE2 3.88Å; F264-F288 HydrophobicContact CD1-CE2 3.88Å; F264-F288 AromaticContact CD1-CZ 3.5Å; F264-F288 HydrophobicContact CD1-CZ 3.5Å; F264-F288 VanDerWaalsContact CD1-CZ 3.5Å; F264-F288 HydrophobicContact CE1-CE1 4.31Å; F264-F288 HydrophobicContact CE1-CE2 4.38Å; F264-F288 AromaticContact CE1-CZ 3.58Å; F264-F288 HydrophobicContact CE1-CZ 3.58Å; I267-F288 HydrophobicContact CB-CD2 4.39Å; I267-F288 HydrophobicContact CB-CE2 3.99Å; I267-F288 HydrophobicContact CD1-CE2 3.95Å; I267-F288 HydrophobicContact CD1-CZ 3.83Å; I267-F288 HydrophobicContact CG2-CD2 3.42Å; I267-F288 VanDerWaalsContact CG2-CD2 3.42Å; I267-F288 HydrophobicContact CG2-CE2 3.51Å; I267-F288 HydrophobicContact CG2-CG 4.26Å; I267-F288 HydrophobicContact CG2-CZ 4.38Å; F288-C291 PolarHBondContact O-N 3.49Å; F288-L292 PolarHBondContact O-N 2.88Å
289T88.8Confident82.7Confident99 Ų9967.5 Ų67.561%0.60734%0.338SS*.Hα-helixtrans-67.7-42-178.2490000112.3C291 L292 L293T289-C291 VanDerWaalsContact C-N 3.35Å; T289-L292 PolarHBondContact O-N 3Å; T289-L293 WeakPolarHBondContact O-CG 3.24Å; T289-L293 PolarHBondContact O-N 2.9Å
290D90.1Very high83.9Confident36 Ų3661 Ų6119%0.19332%0.318CS..Hα-helixtrans-61.4-43174.1-179.948.3000111.4Y285 L286 L293 K294Y285-D290 WeakPolarHBondContact CA-OD2 3.44Å; L286-D290 HydrophobicContact CB-CB 4.29Å; L286-D290 PolarHBondContact N-OD2 3.3Å; D290-L293 PolarHBondContact O-N 3.05Å; D290-K294 WeakPolarHBondContact O-CB 3.45Å; D290-K294 WeakPolarHBondContact O-CG 3.31Å; D290-K294 PolarHBondContact O-N 3.35Å; D290-K294 WeakPolarHBondContact OD1-CE 3.45Å; D290-K294 IonicContact OD1-NZ 2.8Å; D290-K294 PolarHBondContact OD1-NZ 2.93Å; D290-K294 IonicContact OD2-NZ 3.74Å; D290-K294 PolarHBondContact OD2-NZ 3.45Å
291C88.1Confident85Confident0 Ų062.3 Ų62.30%033%0.327CS..Hα-helixtrans-61.7-44.7174.1-174.10000112.4I267 Y285 G287 F288 T289 V295I267-C291 HydrophobicContact CG2-CB 3.98Å; Y285-C291 HydrophobicContact CD1-CB 3.55Å; Y285-C291 HydrophobicContact CD2-CB 4.47Å; Y285-C291 HydrophobicContact CE1-CB 3.97Å; Y285-C291 VanDerWaalsContact CE1-SG 3.55Å; Y285-C291 HydrophobicContact CG-CB 3.79Å; G287-C291 WeakPolarHBondContact O-CB 3.22Å; G287-C291 PolarHBondContact O-N 2.98Å; F288-C291 PolarHBondContact O-N 3.49Å; T289-C291 VanDerWaalsContact C-N 3.35Å; C291-V295 WeakPolarHBondContact O-CB 2.96Å; C291-V295 WeakPolarHBondContact O-CG2 3.28Å; C291-V295 PolarHBondContact O-N 3.4Å
292L90.9Very high86Confident58 Ų5860.5 Ų60.530%0.30432%0.324SS..Hα-helixtrans-58.9-49.8177.317665.4000111.1I267 F288 T289 V295 C296 L304I267-L292 HydrophobicContact CD1-CB 3.98Å; I267-L292 HydrophobicContact CD1-CD1 3.69Å; I267-L292 HydrophobicContact CD1-CG 4.38Å; F288-L292 PolarHBondContact O-N 2.88Å; T289-L292 PolarHBondContact O-N 3Å; L292-V295 PolarHBondContact O-N 2.99Å; L292-C296 WeakPolarHBondContact O-CB 3.36Å; L292-C296 PolarHBondContact O-N 3.38Å; L292-C296 PolarHBondContact O-SG 3.27Å; L292-L304 HydrophobicContact CD1-CD1 3.82Å; L292-L304 HydrophobicContact CD1-CD2 4.01Å
293L91.1Very high86.5Confident102 Ų10259.7 Ų59.753%0.53432%0.315SS..Hα-helixtrans-63.1-48.2-178.5-71.8171000111.8T289 D290 V295 C296 Q297T289-L293 WeakPolarHBondContact O-CG 3.24Å; T289-L293 PolarHBondContact O-N 2.9Å; D290-L293 PolarHBondContact O-N 3.05Å; L293-V295 PolarHBondContact O-N 2.8Å; L293-C296 PolarHBondContact O-N 3.47Å; L293-Q297 WeakPolarHBondContact O-CB 3.39Å; L293-Q297 VanDerWaalsContact O-CG 3.31Å; L293-Q297 WeakPolarHBondContact O-CG 3.38Å; L293-Q297 PolarHBondContact O-N 3.27Å
294K90.6Very high87.1Confident64 Ų6453.1 Ų53.128%0.27829%0.291SS..Hα-helixtrans-63.4-39.4179.2-75.4173.4173.9161.70112.6L77 L284 Y285 D290 Q297 A298L77-K294 HydrophobicContact CD2-CB 3.79Å; L284-K294 PolarHBondContact O-NZ 2.88Å; Y285-K294 HydrophobicContact CD1-CD 4.03Å; Y285-K294 HydrophobicContact CE1-CB 4.16Å; Y285-K294 HydrophobicContact CE1-CD 4.23Å; D290-K294 WeakPolarHBondContact O-CB 3.45Å; D290-K294 WeakPolarHBondContact O-CG 3.31Å; D290-K294 PolarHBondContact O-N 3.35Å; D290-K294 WeakPolarHBondContact OD1-CE 3.45Å; D290-K294 IonicContact OD1-NZ 2.8Å; D290-K294 PolarHBondContact OD1-NZ 2.93Å; D290-K294 IonicContact OD2-NZ 3.74Å; D290-K294 PolarHBondContact OD2-NZ 3.45Å; K294-Q297 PolarHBondContact O-N 3.05Å; K294-A298 WeakPolarHBondContact O-CB 3.29Å; K294-A298 PolarHBondContact O-N 3.37Å
295V89.8Confident87.5Confident0 Ų055.1 Ų55.10%030%0.296CS..Hα-helixtrans-66.2-44.1175.7172.60000110.5C291 L292 L293 Q297 E299 G300 L304C291-V295 WeakPolarHBondContact O-CB 2.96Å; C291-V295 WeakPolarHBondContact O-CG2 3.28Å; C291-V295 PolarHBondContact O-N 3.4Å; L292-V295 PolarHBondContact O-N 2.99Å; L293-V295 PolarHBondContact O-N 2.8Å; V295-Q297 VanDerWaalsContact C-N 3.32Å; V295-Q297 PolarHBondContact O-N 2.73Å; V295-E299 HydrophobicContact CG1-CB 4.42Å; V295-E299 WeakPolarHBondContact O-CA 3.19Å; V295-E299 WeakPolarHBondContact O-CB 3.26Å; V295-E299 PolarHBondContact O-N 3.43Å; V295-G300 PolarHBondContact O-N 3.28Å; V295-L304 HydrophobicContact CB-CD2 4.35Å; V295-L304 HydrophobicContact CG1-CD2 3.76Å; V295-L304 HydrophobicContact CG1-CG 4.19Å
296C89.6Confident87.5Confident37 Ų3756.2 Ų56.225%0.2530%0.301CS..Hα-helixtrans-60.9-40.1175.8-73.90000112.6L292 L293 G300L292-C296 WeakPolarHBondContact O-CB 3.36Å; L292-C296 PolarHBondContact O-N 3.38Å; L292-C296 PolarHBondContact O-SG 3.27Å; L293-C296 PolarHBondContact O-N 3.47Å; C296-G300 WeakPolarHBondContact O-CA 3.43Å; C296-G300 PolarHBondContact O-N 3.27Å
297Q88.5Confident87.5Confident161 Ų16150 Ų5075%0.75227%0.27SS*.Hα-helixtrans-74-43.2179.8-72.5174.2-700112.8L293 K294 V295L293-Q297 WeakPolarHBondContact O-CB 3.39Å; L293-Q297 VanDerWaalsContact O-CG 3.31Å; L293-Q297 WeakPolarHBondContact O-CG 3.38Å; L293-Q297 PolarHBondContact O-N 3.27Å; K294-Q297 PolarHBondContact O-N 3.05Å; V295-Q297 VanDerWaalsContact C-N 3.32Å; V295-Q297 PolarHBondContact O-N 2.73Å
298A87.9Confident87.6Confident34 Ų3453 Ų5328%0.28128%0.281SS..Hα-helixtrans-84-40-175.100000113.1L77 A79 K294L77-A298 HydrophobicContact CD2-CB 4.43Å; A79-A298 VanDerWaalsContact CA-O 3.25Å; A79-A298 WeakPolarHBondContact CA-O 3.25Å; K294-A298 WeakPolarHBondContact O-CB 3.29Å; K294-A298 PolarHBondContact O-N 3.37Å
299E86.3Confident87.5Confident8 Ų853 Ų534%0.03729%0.292CS..Hα-helixtrans-110.9-13.2-171.7-65.6177.6-13200113.7G75 L77 R78 R270 V295 K306G75-E299 VanDerWaalsContact O-CD 3.3Å; L77-E299 PolarHBondContact N-OE1 3.02Å; R78-E299 WeakPolarHBondContact O-CG 3.43Å; R270-E299 IonicContact CZ-OE1 3.53Å; R270-E299 IonicContact CZ-OE2 2.8Å; R270-E299 IonicContact NH1-OE1 3.96Å; R270-E299 PolarHBondContact NH1-OE1 3.46Å; R270-E299 IonicContact NH1-OE2 3.24Å; R270-E299 IonicContact NH2-OE1 2.67Å; R270-E299 PolarHBondContact NH2-OE1 3.39Å; R270-E299 IonicContact NH2-OE2 3.65Å; R270-E299 PolarHBondContact NH2-OE2 3.08Å; V295-E299 HydrophobicContact CG1-CB 4.42Å; V295-E299 WeakPolarHBondContact O-CA 3.19Å; V295-E299 WeakPolarHBondContact O-CB 3.26Å; V295-E299 PolarHBondContact O-N 3.43Å; E299-K306 WeakPolarHBondContact OE2-CE 3.3Å; E299-K306 IonicContact OE2-NZ 3.92Å; E299-K306 PolarHBondContact OE2-NZ 2.95Å
300G87.6Confident87.3Confident28 Ų2848.4 Ų48.429%0.28927%0.265SS..  trans77.8173.6-172.100000113.4V295 C296 L302 G303V295-G300 PolarHBondContact O-N 3.28Å; C296-G300 WeakPolarHBondContact O-CA 3.43Å; C296-G300 PolarHBondContact O-N 3.27Å; G300-L302 PolarHBondContact O-N 3.29Å; G300-G303 PolarHBondContact O-N 2.81Å
301L86.8Confident86.9Confident126 Ų12646.8 Ų46.866%0.6626%0.256SS*.G310 helixtrans-59.3-33.3180-67.8173.5000113.1G303 L304L301-G303 PolarHBondContact O-N 3.44Å; L301-L304 WeakPolarHBondContact O-CB 3.22Å; L301-L304 PolarHBondContact O-N 2.95Å
302L85.6Confident86.8Confident105 Ų10552.1 Ų52.155%0.5528%0.28SS..G310 helixtrans-71.6-13176.8-64.1173.5000113.1R80 G300 L304 Y305R80-L302 VanDerWaalsContact NH1-CD1 3.27Å; R80-L302 VanDerWaalsContact NH2-CB 3.3Å; G300-L302 PolarHBondContact O-N 3.29Å; L302-L304 VanDerWaalsContact C-N 3.32Å; L302-Y305 PolarHBondContact O-N 3Å
303G83Confident86.6Confident0 Ų053 Ų530%028%0.284CS..G310 helixtrans-65.6-34.7170.500000112.6G300 L301 Y305 K306G300-G303 PolarHBondContact O-N 2.81Å; L301-G303 PolarHBondContact O-N 3.44Å; G303-Y305 PolarHBondContact O-N 3.45Å; G303-K306 WeakPolarHBondContact O-CB 3.37Å; G303-K306 WeakPolarHBondContact O-CG 3.22Å; G303-K306 PolarHBondContact O-N 3.32Å
304L87.6Confident86.2Confident13 Ų1349.5 Ų49.57%0.06826%0.264CS..THydrogen-bonded Turntrans-68.9-19.9178.5-66.5171.3000113.7P263 V266 I267 L292 V295 L301 L302P263-L304 WeakPolarHBondContact CA-O 3.26Å; P263-L304 HydrophobicContact CB-CB 4.06Å; P263-L304 HydrophobicContact CB-CD1 4.5Å; V266-L304 WeakPolarHBondContact CG2-O 3.47Å; I267-L304 HydrophobicContact CD1-CD2 4.08Å; I267-L304 HydrophobicContact CG1-CD2 4.06Å; L292-L304 HydrophobicContact CD1-CD1 3.82Å; L292-L304 HydrophobicContact CD1-CD2 4.01Å; V295-L304 HydrophobicContact CB-CD2 4.35Å; V295-L304 HydrophobicContact CG1-CD2 3.76Å; V295-L304 HydrophobicContact CG1-CG 4.19Å; L301-L304 WeakPolarHBondContact O-CB 3.22Å; L301-L304 PolarHBondContact O-N 2.95Å; L302-L304 VanDerWaalsContact C-N 3.32Å
305Y88.8Confident85.7Confident91 Ų9148.6 Ų48.636%0.35726%0.262SS..THydrogen-bonded Turntrans-98.39.9177.8-67.8-87.6000112.7I259 T262 L302 G303 G307 M308I259-Y305 HydrophobicContact CG2-CE1 4.26Å; I259-Y305 WeakPolarHBondContact O-CE1 3.47Å; T262-Y305 WeakPolarHBondContact OG1-CD1 3.26Å; L302-Y305 PolarHBondContact O-N 3Å; G303-Y305 PolarHBondContact O-N 3.45Å; Y305-G307 PolarHBondContact O-N 2.98Å; Y305-M308 HydrophobicContact CD1-SD 4.14Å; Y305-M308 WeakPolarHBondContact O-CB 3.37Å; Y305-M308 PolarHBondContact O-N 3.38Å
306K83.8Confident85.2Confident25 Ų2551.3 Ų51.311%0.10928%0.284CS..THydrogen-bonded Turntrans-59.4133.1171.1-77.8178.4175.9177.40109.8Q72 Q74 Y83 V266 E299 G303 M308Q72-K306 WeakPolarHBondContact CG-O 3.38Å; Q74-K306 PolarHBondContact O-NZ 2.76Å; Y83-K306 PolarHBondContact OH-NZ 3.41Å; V266-K306 VanDerWaalsContact CG2-O 3.24Å; V266-K306 WeakPolarHBondContact CG2-O 3.2Å; E299-K306 WeakPolarHBondContact OE2-CE 3.3Å; E299-K306 IonicContact OE2-NZ 3.92Å; E299-K306 PolarHBondContact OE2-NZ 2.95Å; G303-K306 WeakPolarHBondContact O-CB 3.37Å; G303-K306 WeakPolarHBondContact O-CG 3.22Å; G303-K306 PolarHBondContact O-N 3.32Å; K306-M308 VanDerWaalsContact C-N 3.33Å
307G81.1Confident84.9Confident9 Ų951.8 Ų51.89%0.09329%0.287CS..THydrogen-bonded Turntrans78.511.3-178.900000115Y305 G309 P310 V311Y305-G307 PolarHBondContact O-N 2.98Å; G307-G309 VanDerWaalsContact C-N 3.33Å; G307-G309 PolarHBondContact O-N 2.62Å; G307-P310 VanDerWaalsContact O-CD 3.23Å; G307-P310 WeakPolarHBondContact O-CD 3.4Å; G307-V311 WeakPolarHBondContact O-CG2 3.02Å; G307-V311 PolarHBondContact O-N 2.99Å
308M86.3Confident84.7Confident77 Ų7745.5 Ų45.538%0.37926%0.257SS..Hα-helixtrans-59.7-40.7171-179.2173.57200112.7T262 Y305 K306 V311 F312T262-M308 HydrophobicContact CG2-CB 3.94Å; T262-M308 HydrophobicContact CG2-CG 4.01Å; Y305-M308 HydrophobicContact CD1-SD 4.14Å; Y305-M308 WeakPolarHBondContact O-CB 3.37Å; Y305-M308 PolarHBondContact O-N 3.38Å; K306-M308 VanDerWaalsContact C-N 3.33Å; M308-V311 WeakPolarHBondContact O-CB 2.93Å; M308-V311 PolarHBondContact O-N 3.19Å; M308-F312 PolarHBondContact O-N 3.02Å
309G85.6Confident84.3Confident39 Ų3946.4 Ų46.440%0.40226%0.26SS..Hα-helixtrans-55.9-53.8176.900000113.4G307 V311 F312 L313G307-G309 VanDerWaalsContact C-N 3.33Å; G307-G309 PolarHBondContact O-N 2.62Å; G309-V311 VanDerWaalsContact C-N 3.31Å; G309-V311 PolarHBondContact O-N 2.82Å; G309-F312 PolarHBondContact O-N 3.44Å; G309-L313 WeakPolarHBondContact O-CB 3.37Å; G309-L313 PolarHBondContact O-N 2.79Å
310P84.3Confident84Confident4 Ų450.6 Ų50.63%0.02629%0.286CS..Hα-helixtrans-57.4-39.1173-2530.8000113.7V67 K68 L71 V90 G307 R314V67-P310 HydrophobicContact CG1-CG 4.2Å; K68-P310 HydrophobicContact CB-CB 3.75Å; K68-P310 HydrophobicContact CG-CB 4.35Å; L71-P310 HydrophobicContact CD1-CG 3.46Å; L71-P310 VanDerWaalsContact CD1-CG 3.46Å; V90-P310 HydrophobicContact CB-CG 4.42Å; V90-P310 HydrophobicContact CG1-CB 4.35Å; V90-P310 HydrophobicContact CG1-CG 4.15Å; V90-P310 HydrophobicContact CG2-CB 4.45Å; V90-P310 HydrophobicContact CG2-CG 3.66Å; G307-P310 VanDerWaalsContact O-CD 3.23Å; G307-P310 WeakPolarHBondContact O-CD 3.4Å; P310-R314 WeakPolarHBondContact O-CB 3.42Å; P310-R314 PolarHBondContact O-N 3.4Å
311V82.8Confident83.9Confident2 Ų251.2 Ų51.21%0.01228%0.282CS..Hα-helixtrans-60.4-48.3177.2170.30000110.7K68 A258 T262 G307 M308 G309 R314 L315K68-V311 HydrophobicContact CD-CG2 3.64Å; K68-V311 HydrophobicContact CG-CG2 4.11Å; A258-V311 HydrophobicContact CB-CG1 4.3Å; T262-V311 HydrophobicContact CG2-CB 4.27Å; T262-V311 HydrophobicContact CG2-CG1 4.25Å; T262-V311 HydrophobicContact CG2-CG2 4.22Å; G307-V311 WeakPolarHBondContact O-CG2 3.02Å; G307-V311 PolarHBondContact O-N 2.99Å; M308-V311 WeakPolarHBondContact O-CB 2.93Å; M308-V311 PolarHBondContact O-N 3.19Å; G309-V311 VanDerWaalsContact C-N 3.31Å; G309-V311 PolarHBondContact O-N 2.82Å; V311-R314 PolarHBondContact O-N 3.31Å; V311-L315 WeakPolarHBondContact O-CB 3.34Å; V311-L315 PolarHBondContact O-N 3.04Å
312F85Confident83.8Confident112 Ų11245.9 Ų45.949%0.49126%0.256SS..Hα-helixtrans-64.8-49.8179.2-174.5-100.8000111.8V255 M308 G309 R314 L315V255-F312 HydrophobicContact CG2-CE2 3.71Å; V255-F312 HydrophobicContact CG2-CZ 4.47Å; M308-F312 PolarHBondContact O-N 3.02Å; G309-F312 PolarHBondContact O-N 3.44Å; F312-R314 PolarHBondContact O-N 3.07Å; F312-L315 PolarHBondContact O-N 3.07Å; F312-L315 VanDerWaalsContact O-N 3.14Å
313L85.8Confident83.5Confident77 Ų7743.2 Ų43.240%0.40324%0.241SC..Hα-helixtrans-63.7-26.2-179.5-169.864.1000112.5L64 V90 G309 P317L64-L313 HydrophobicContact CD1-CG 4.4Å; L64-L313 HydrophobicContact CD2-CD2 3.92Å; L64-L313 HydrophobicContact CD2-CG 4.35Å; V90-L313 HydrophobicContact CB-CD2 4.47Å; V90-L313 HydrophobicContact CG1-CD2 3.86Å; G309-L313 WeakPolarHBondContact O-CB 3.37Å; G309-L313 PolarHBondContact O-N 2.79Å; L313-P317 WeakPolarHBondContact O-CD 3.42Å; L313-P317 WeakPolarHBondContact O-CG 3.41Å
314R84.1Confident83.6Confident28 Ų2847.3 Ų47.311%0.10626%0.262CS..Hα-helixtrans-80.5-38.5174.7-172.1-166.767.798.418112.5L64 E65 P310 V311 F312 A316 P317 H318L64-R314 HydrophobicContact CB-CB 3.97Å; L64-R314 HydrophobicContact CB-CG 4.11Å; L64-R314 HydrophobicContact CD1-CB 4.03Å; L64-R314 HydrophobicContact CD1-CG 4.41Å; E65-R314 HydrophobicContact CG-CG 4.5Å; E65-R314 IonicContact OE1-CZ 3.64Å; E65-R314 IonicContact OE1-NE 3.05Å; E65-R314 IonicContact OE1-NH1 2.65Å; E65-R314 PolarHBondContact OE1-NH1 3.04Å; P310-R314 WeakPolarHBondContact O-CB 3.42Å; P310-R314 PolarHBondContact O-N 3.4Å; V311-R314 PolarHBondContact O-N 3.31Å; F312-R314 PolarHBondContact O-N 3.07Å; R314-A316 PolarHBondContact O-N 2.96Å; R314-P317 WeakPolarHBondContact O-CD 3.16Å; R314-P317 WeakPolarHBondContact O-CG 3.43Å; R314-H318 WeakPolarHBondContact O-CB 3.05Å; R314-H318 PolarHBondContact O-N 3.36Å
315L78.6Confident83.6Confident44 Ų4448.8 Ų48.823%0.2327%0.268CS..Hα-helixtrans-62.1-44.4-170.7-172.265.8000112.2V311 F312 T319V311-L315 WeakPolarHBondContact O-CB 3.34Å; V311-L315 PolarHBondContact O-N 3.04Å; F312-L315 PolarHBondContact O-N 3.07Å; F312-L315 VanDerWaalsContact O-N 3.14Å; L315-T319 WeakPolarHBondContact O-CB 3.48Å; L315-T319 PolarHBondContact O-N 3.42Å; L315-T319 PolarHBondContact O-OG1 3.22Å
316A80.3Confident83.4Confident58 Ų5846.3 Ų46.348%0.47926%0.258SS..Hα-helixtrans-62-59.2179.500000113.1R314 H318 T319 V320R314-A316 PolarHBondContact O-N 2.96Å; A316-H318 VanDerWaalsContact C-N 3.31Å; A316-H318 PolarHBondContact O-N 2.8Å; A316-T319 PolarHBondContact O-N 2.77Å; A316-V320 WeakPolarHBondContact O-CG2 3.39Å; A316-V320 PolarHBondContact O-N 2.9Å
317P82.6Confident83.3Confident47 Ų4746.3 Ų46.331%0.30526%0.259SS..Hα-helixtrans-64.9-34.5179.925.3-34000112.3T61 L64 L313 R314 T319 L321T61-P317 HydrophobicContact CG2-CG 4.48Å; L64-P317 HydrophobicContact CD1-CG 4.4Å; L313-P317 WeakPolarHBondContact O-CD 3.42Å; L313-P317 WeakPolarHBondContact O-CG 3.41Å; R314-P317 WeakPolarHBondContact O-CD 3.16Å; R314-P317 WeakPolarHBondContact O-CG 3.43Å; P317-T319 PolarHBondContact O-N 3.04Å; P317-L321 VanDerWaalsContact O-CB 3.22Å; P317-L321 WeakPolarHBondContact O-CB 3.38Å; P317-L321 WeakPolarHBondContact O-CG 3.48Å; P317-L321 PolarHBondContact O-N 2.95Å
318H83.9Confident83.6Confident28 Ų2850.1 Ų50.113%0.1328%0.277CS..Hα-helixtrans-60.8-46.2176.4-171.878000111.5T61 R314 A316 S322T61-H318 HydrophobicContact CG2-CB 3.87Å; T61-H318 PolarHBondContact OG1-ND1 3.45Å; T61-H318 VanDerWaalsContact OG1-ND1 3.11Å; R314-H318 WeakPolarHBondContact O-CB 3.05Å; R314-H318 PolarHBondContact O-N 3.36Å; A316-H318 VanDerWaalsContact C-N 3.31Å; A316-H318 PolarHBondContact O-N 2.8Å; H318-S322 VanDerWaalsContact O-CB 3.26Å; H318-S322 WeakPolarHBondContact O-CB 3.36Å; H318-S322 PolarHBondContact O-N 2.85Å; H318-S322 PolarHBondContact O-OG 2.96Å
319T80.1Confident83.6Confident53 Ų5349.1 Ų49.133%0.32527%0.272SS..Hα-helixtrans-66-47.6-179.5-54.80000111.1L315 A316 P317 S322 M323L315-T319 WeakPolarHBondContact O-CB 3.48Å; L315-T319 PolarHBondContact O-N 3.42Å; L315-T319 PolarHBondContact O-OG1 3.22Å; A316-T319 PolarHBondContact O-N 2.77Å; P317-T319 PolarHBondContact O-N 3.04Å; T319-S322 PolarHBondContact O-N 2.93Å; T319-M323 HydrophobicContact CG2-CE 3.6Å; T319-M323 HydrophobicContact CG2-SD 4.07Å; T319-M323 WeakPolarHBondContact O-CG 3.34Å; T319-M323 PolarHBondContact O-N 2.62Å
320V80.6Confident83.5Confident97 Ų9748.3 Ų48.359%0.58826%0.257SS*.Hα-helixtrans-62.1-47.1-180173.30000111.3A316 M323 L324A316-V320 WeakPolarHBondContact O-CG2 3.39Å; A316-V320 PolarHBondContact O-N 2.9Å; V320-M323 PolarHBondContact O-N 2.95Å; V320-L324 WeakPolarHBondContact O-CB 3.41Å; V320-L324 PolarHBondContact O-N 3.36Å
321L85.7Confident83.5Confident41 Ų4151.6 Ų51.622%0.21527%0.272CS..Hα-helixtrans-66.1-40.8179-70.9171.9000111.9A57 F60 P317 M323 L324 F325A57-L321 HydrophobicContact CB-CB 3.86Å; F60-L321 HydrophobicContact CB-CD1 3.66Å; F60-L321 HydrophobicContact CD2-CD1 4.29Å; F60-L321 HydrophobicContact CG-CD1 4.08Å; P317-L321 VanDerWaalsContact O-CB 3.22Å; P317-L321 WeakPolarHBondContact O-CB 3.38Å; P317-L321 WeakPolarHBondContact O-CG 3.48Å; P317-L321 PolarHBondContact O-N 2.95Å; L321-M323 VanDerWaalsContact C-N 3.32Å; L321-M323 PolarHBondContact O-N 3.13Å; L321-L324 PolarHBondContact O-N 2.66Å; L321-F325 HydrophobicContact CB-CD2 4.32Å; L321-F325 HydrophobicContact CB-CE2 4.05Å; L321-F325 HydrophobicContact CD2-CE2 4.36Å; L321-F325 HydrophobicContact CD2-CZ 4.48Å; L321-F325 WeakPolarHBondContact O-CB 3.25Å; L321-F325 WeakPolarHBondContact O-CD2 3.43Å; L321-F325 WeakPolarHBondContact O-CG 3.2Å; L321-F325 PolarHBondContact O-N 3.37Å
322S83.6Confident83.6Confident14 Ų1456.1 Ų56.110%0.09829%0.293CS..Hα-helixtrans-62.4-41.9177.8-580000111.3A53 A57 H318 T319 W326A53-S322 WeakPolarHBondContact CB-O 3.1Å; A57-S322 WeakPolarHBondContact CB-OG 3.12Å; H318-S322 VanDerWaalsContact O-CB 3.26Å; H318-S322 WeakPolarHBondContact O-CB 3.36Å; H318-S322 PolarHBondContact O-N 2.85Å; H318-S322 PolarHBondContact O-OG 2.96Å; T319-S322 PolarHBondContact O-N 2.93Å; S322-W326 VanDerWaalsContact O-CB 3.26Å; S322-W326 WeakPolarHBondContact O-CB 3.39Å; S322-W326 PolarHBondContact O-N 2.83Å
323M80.3Confident83.4Confident48 Ų4852 Ų5224%0.23628%0.28CS..Hα-helixtrans-66.7-45176.1-72.3174.3-179.300111.9P31 T319 V320 L321 F325 W326 D327P31-M323 WeakPolarHBondContact CD-SD 3.14Å; P31-M323 HydrophobicContact CG-CE 3.91Å; P31-M323 HydrophobicContact CG-SD 3.7Å; T319-M323 HydrophobicContact CG2-CE 3.6Å; T319-M323 HydrophobicContact CG2-SD 4.07Å; T319-M323 WeakPolarHBondContact O-CG 3.34Å; T319-M323 PolarHBondContact O-N 2.62Å; V320-M323 PolarHBondContact O-N 2.95Å; L321-M323 VanDerWaalsContact C-N 3.32Å; L321-M323 PolarHBondContact O-N 3.13Å; M323-F325 PolarHBondContact O-N 2.93Å; M323-W326 PolarHBondContact O-N 3.5Å; M323-D327 WeakPolarHBondContact O-CB 3.25Å; M323-D327 PolarHBondContact O-N 3.27Å
324L83.9Confident83.2Confident87 Ų8750.6 Ų50.646%0.45527%0.272SS..Hα-helixtrans-59.3-48.4177.7-178.570.1000111.5V320 L321 W326 D327 L328V320-L324 WeakPolarHBondContact O-CB 3.41Å; V320-L324 PolarHBondContact O-N 3.36Å; L321-L324 PolarHBondContact O-N 2.66Å; L324-W326 VanDerWaalsContact C-N 3.35Å; L324-D327 PolarHBondContact O-N 3.01Å; L324-L328 HydrophobicContact CD1-CD1 4.31Å; L324-L328 HydrophobicContact CD1-CG 4.49Å; L324-L328 HydrophobicContact CG-CD1 4.03Å; L324-L328 WeakPolarHBondContact O-CB 3.2Å; L324-L328 VanDerWaalsContact O-CG 3.25Å; L324-L328 WeakPolarHBondContact O-CG 3.46Å; L324-L328 PolarHBondContact O-N 2.95Å
325F88.2Confident82.8Confident44 Ų4456.4 Ų56.419%0.19330%0.298CS..Hα-helixtrans-64.6-40.8178.5-69.8-46.1000111.7A53 A56 A57 F60 L321 M323 L328 M329A53-F325 HydrophobicContact CB-CB 3.74Å; A56-F325 HydrophobicContact CB-CD2 3.52Å; A56-F325 HydrophobicContact CB-CE2 3.77Å; A56-F325 HydrophobicContact CB-CG 3.96Å; A56-F325 HydrophobicContact CB-CZ 4.4Å; A57-F325 HydrophobicContact CB-CD2 4.38Å; F60-F325 HydrophobicContact CD2-CE2 4.06Å; F60-F325 HydrophobicContact CD2-CZ 4.13Å; F60-F325 AromaticContact CE2-CE2 3.96Å; F60-F325 HydrophobicContact CE2-CE2 3.96Å; F60-F325 AromaticContact CE2-CZ 3.6Å; F60-F325 HydrophobicContact CE2-CZ 3.6Å; F60-F325 HydrophobicContact CZ-CZ 4.43Å; L321-F325 HydrophobicContact CB-CD2 4.32Å; L321-F325 HydrophobicContact CB-CE2 4.05Å; L321-F325 HydrophobicContact CD2-CE2 4.36Å; L321-F325 HydrophobicContact CD2-CZ 4.48Å; L321-F325 WeakPolarHBondContact O-CB 3.25Å; L321-F325 WeakPolarHBondContact O-CD2 3.43Å; L321-F325 WeakPolarHBondContact O-CG 3.2Å; L321-F325 PolarHBondContact O-N 3.37Å; M323-F325 PolarHBondContact O-N 2.93Å; F325-L328 PolarHBondContact O-N 3.27Å; F325-M329 VanDerWaalsContact O-CB 3.27Å; F325-M329 WeakPolarHBondContact O-CB 3.29Å; F325-M329 WeakPolarHBondContact O-CG 3.35Å; F325-M329 PolarHBondContact O-N 3.01Å
326W85.9Confident82.1Confident39 Ų3960.1 Ų60.115%0.14832%0.318CS..Hα-helixtrans-61.3-47.2176.2177.872.4000111.8V30 D46 A53 S322 M323 L324 L328 M329 R330V30-W326 HydrophobicContact CG1-CZ3 4.03Å; D46-W326 PolarHBondContact O-NE1 3.32Å; D46-W326 VanDerWaalsContact OD1-CE2 3.26Å; D46-W326 WeakPolarHBondContact OD1-CZ2 3.16Å; D46-W326 PolarHBondContact OD1-NE1 2.93Å; A53-W326 HydrophobicContact CB-CB 3.79Å; S322-W326 VanDerWaalsContact O-CB 3.26Å; S322-W326 WeakPolarHBondContact O-CB 3.39Å; S322-W326 PolarHBondContact O-N 2.83Å; M323-W326 PolarHBondContact O-N 3.5Å; L324-W326 VanDerWaalsContact C-N 3.35Å; W326-L328 PolarHBondContact O-N 3.48Å; W326-M329 PolarHBondContact O-N 2.68Å; W326-R330 VanDerWaalsContact CH2-NH1 3.28Å; W326-R330 VanDerWaalsContact O-CB 3.22Å; W326-R330 WeakPolarHBondContact O-CB 3.42Å; W326-R330 PolarHBondContact O-N 2.89Å
327D80.8Confident81.1Confident24 Ų2466.9 Ų66.913%0.12834%0.337CS..Hα-helixtrans-60-47177.2-85.1-14.1000111.6M323 L324 R330 Q331M323-D327 WeakPolarHBondContact O-CB 3.25Å; M323-D327 PolarHBondContact O-N 3.27Å; L324-D327 PolarHBondContact O-N 3.01Å; D327-R330 PolarHBondContact O-N 3.37Å; D327-Q331 VanDerWaalsContact O-CG 3.3Å; D327-Q331 WeakPolarHBondContact O-CG 3.17Å; D327-Q331 PolarHBondContact O-N 2.95Å
328L86.9Confident81Confident90 Ų9067.9 Ų67.947%0.47134%0.338SS..Hα-helixtrans-63.4-47179.4-72.2173.3000112.2L324 F325 W326 R330 Q331 Q332L324-L328 HydrophobicContact CD1-CD1 4.31Å; L324-L328 HydrophobicContact CD1-CG 4.49Å; L324-L328 HydrophobicContact CG-CD1 4.03Å; L324-L328 WeakPolarHBondContact O-CB 3.2Å; L324-L328 VanDerWaalsContact O-CG 3.25Å; L324-L328 WeakPolarHBondContact O-CG 3.46Å; L324-L328 PolarHBondContact O-N 2.95Å; F325-L328 PolarHBondContact O-N 3.27Å; W326-L328 PolarHBondContact O-N 3.48Å; L328-R330 VanDerWaalsContact C-N 3.28Å; L328-R330 PolarHBondContact O-N 3.47Å; L328-Q331 PolarHBondContact O-N 3.05Å; L328-Q332 PolarHBondContact O-N 3.31Å
329M87.1Confident80.8Confident56 Ų5669.9 Ų69.928%0.27635%0.349SS..Hα-helixtrans-63.5-38.3179.3-70.9177.47400111.4L49 L52 A53 F325 W326 Q332 A333L49-M329 HydrophobicContact CB-CB 4.5Å; L49-M329 HydrophobicContact CD2-CB 4.14Å; L49-M329 HydrophobicContact CD2-CE 3.69Å; L52-M329 HydrophobicContact CB-CE 3.47Å; L52-M329 VanDerWaalsContact CB-CE 3.47Å; L52-M329 HydrophobicContact CB-SD 4.09Å; L52-M329 HydrophobicContact CD1-CE 3.59Å; L52-M329 HydrophobicContact CG-CE 4.18Å; A53-M329 HydrophobicContact CB-SD 4.37Å; F325-M329 VanDerWaalsContact O-CB 3.27Å; F325-M329 WeakPolarHBondContact O-CB 3.29Å; F325-M329 WeakPolarHBondContact O-CG 3.35Å; F325-M329 PolarHBondContact O-N 3.01Å; W326-M329 PolarHBondContact O-N 2.68Å; M329-Q332 PolarHBondContact O-N 2.96Å; M329-A333 WeakPolarHBondContact O-CB 3.25Å; M329-A333 PolarHBondContact O-N 3.19Å
330R83.3Confident80.9Confident22 Ų2270.9 Ų70.98%0.08335%0.351CS..Hα-helixtrans-69.3-42.6177.9-168.7179.1172.7-172.81.9112.2P38 P39 V41 D46 L49 W326 D327 L328 Q332 A333 I334P38-R330 VanDerWaalsContact CB-CZ 3.46Å; P38-R330 VanDerWaalsContact CB-NH1 3.26Å; P39-R330 PolarHBondContact O-NH2 2.99Å; V41-R330 HydrophobicContact CG2-CG 3.79Å; D46-R330 IonicContact OD1-NE 3.69Å; L49-R330 HydrophobicContact CD1-CB 4.23Å; W326-R330 VanDerWaalsContact CH2-NH1 3.28Å; W326-R330 VanDerWaalsContact O-CB 3.22Å; W326-R330 WeakPolarHBondContact O-CB 3.42Å; W326-R330 PolarHBondContact O-N 2.89Å; D327-R330 PolarHBondContact O-N 3.37Å; L328-R330 VanDerWaalsContact C-N 3.28Å; L328-R330 PolarHBondContact O-N 3.47Å; R330-Q332 VanDerWaalsContact C-N 3.26Å; R330-Q332 PolarHBondContact O-N 3.06Å; R330-A333 PolarHBondContact O-N 3.29Å; R330-I334 HydrophobicContact CG-CD1 4.03Å; R330-I334 WeakPolarHBondContact O-CD1 3.49Å; R330-I334 VanDerWaalsContact O-CG1 3.29Å; R330-I334 WeakPolarHBondContact O-CG1 3.27Å; R330-I334 PolarHBondContact O-N 3.36Å; R330-I334 VanDerWaalsContact O-N 3.08Å
331Q83.3Confident80.9Confident73 Ų7369.4 Ų69.434%0.34134%0.337SS..Hα-helixtrans-58.5-41.2174.1-75.5176.315.100111.5D327 L328 I334 K335D327-Q331 VanDerWaalsContact O-CG 3.3Å; D327-Q331 WeakPolarHBondContact O-CG 3.17Å; D327-Q331 PolarHBondContact O-N 2.95Å; L328-Q331 PolarHBondContact O-N 3.05Å; Q331-I334 PolarHBondContact O-N 3.06Å; Q331-K335 WeakPolarHBondContact O-CG 3.33Å; Q331-K335 PolarHBondContact O-N 3.26Å; Q331-K335 VanDerWaalsContact O-N 3.12Å
332Q84.9Confident80.6Confident96 Ų9671.1 Ų71.145%0.44934%0.344SS..Hα-helixtrans-65.7-46.6176.5-170.958.532.700111.8L328 M329 R330 I334 K335 D336L328-Q332 PolarHBondContact O-N 3.31Å; M329-Q332 PolarHBondContact O-N 2.96Å; R330-Q332 VanDerWaalsContact C-N 3.26Å; R330-Q332 PolarHBondContact O-N 3.06Å; Q332-I334 PolarHBondContact O-N 3.2Å; Q332-I334 VanDerWaalsContact O-N 3.15Å; Q332-K335 PolarHBondContact O-N 3.39Å; Q332-D336 PolarHBondContact NE2-OD1 2.87Å; Q332-D336 VanDerWaalsContact NE2-OD1 3.09Å; Q332-D336 PolarHBondContact NE2-OD2 3.16Å; Q332-D336 VanDerWaalsContact NE2-OD2 3.1Å; Q332-D336 PolarHBondContact O-N 3.07Å; Q332-D336 VanDerWaalsContact O-N 3.11Å
333A82.4Confident80.4Confident26 Ų2674.9 Ų74.922%0.21536%0.361CS..Hα-helixtrans-61.7-23.7178.300000114.1L49 M329 R330L49-A333 HydrophobicContact CD1-CB 4.1Å; M329-A333 WeakPolarHBondContact O-CB 3.25Å; M329-A333 PolarHBondContact O-N 3.19Å; R330-A333 PolarHBondContact O-N 3.29Å
334I80.8Confident80.4Confident48 Ų4876.9 Ų76.925%0.24637%0.37CS..Hα-helixtrans-83.3-35.3174.4-66159.7000111.4P39 V41 R330 Q331 Q332 D336 K337P39-I334 HydrophobicContact CB-CD1 3.89Å; P39-I334 HydrophobicContact CB-CG2 4.36Å; P39-I334 HydrophobicContact CG-CD1 3.84Å; P39-I334 HydrophobicContact CG-CG2 4.32Å; V41-I334 HydrophobicContact CG2-CD1 3.74Å; V41-I334 HydrophobicContact CG2-CG1 3.61Å; R330-I334 HydrophobicContact CG-CD1 4.03Å; R330-I334 WeakPolarHBondContact O-CD1 3.49Å; R330-I334 VanDerWaalsContact O-CG1 3.29Å; R330-I334 WeakPolarHBondContact O-CG1 3.27Å; R330-I334 PolarHBondContact O-N 3.36Å; R330-I334 VanDerWaalsContact O-N 3.08Å; Q331-I334 PolarHBondContact O-N 3.06Å; Q332-I334 PolarHBondContact O-N 3.2Å; Q332-I334 VanDerWaalsContact O-N 3.15Å; I334-D336 VanDerWaalsContact C-N 3.29Å; I334-K337 PolarHBondContact O-N 2.73Å
335K76.2Confident80.1Confident150 Ų15076.1 Ų76.165%0.65236%0.363SS*.Hα-helixtrans-68.1-29.6176.9-76.1177.6-178.1179.30113.1Q331 Q332 K337Q331-K335 WeakPolarHBondContact O-CG 3.33Å; Q331-K335 PolarHBondContact O-N 3.26Å; Q331-K335 VanDerWaalsContact O-N 3.12Å; Q332-K335 PolarHBondContact O-N 3.39Å; K335-K337 PolarHBondContact O-N 3.1Å
336D63.8Low79.5Confident121 Ų12178.8 Ų78.865%0.64738%0.377SS*.THydrogen-bonded Turntrans-84.95.6-179.5-62.6-25.9000113Q332 I334Q332-D336 PolarHBondContact NE2-OD1 2.87Å; Q332-D336 VanDerWaalsContact NE2-OD1 3.09Å; Q332-D336 PolarHBondContact NE2-OD2 3.16Å; Q332-D336 VanDerWaalsContact NE2-OD2 3.1Å; Q332-D336 PolarHBondContact O-N 3.07Å; Q332-D336 VanDerWaalsContact O-N 3.11Å; I334-D336 VanDerWaalsContact C-N 3.29Å
337K58.3Low78.9Confident200 Ų20082.4 Ų82.487%0.8740%0.398SS*.  trans-99.40171.1-87.2-172173.3-171.60111.4I334 K335I334-K337 PolarHBondContact O-N 2.73Å; K335-K337 PolarHBondContact O-N 3.1Å

Retrieved 337 of 337 residues in 106.4 ms (Link to these results)