A0A2K5MQJ6_CERAT Loading...

Kinesin light chain

Kinesin is a microtubule-associated force-producing protein that play a role in organelle transport.

AlphaFold DB , UniProt , Accession A0A2K5MQJ6, Species CERAT (Cercocebus atys, Sooty mangabey), Gene KLC2, Length 622 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M38.6Very low44.5Very low247 Ų247174.5 Ų174.5100%1.21788%0.881SS**  0106.40-90.1173.8169.700108
2A38.4Very low46.6Very low105 Ų105169.7 Ų169.787%0.86886%0.858SS**  trans-76.9118.6178.600000109.6M4A2-M4 PolarHBondContact O-N 3.22Å
3M39.5Very low49.2Very low184 Ų184160.4 Ų160.491%0.90682%0.819SS**  trans-80.4109.2163.6-101.5-173.2163.200107.6V5M3-V5 PolarHBondContact O-N 3.43Å
4M41.8Very low51.2Low183 Ų183154.1 Ų154.190%0.90178%0.784SS**  trans-59.3104.3165.4-86.9-178.8158.300108.8A2 L6A2-M4 PolarHBondContact O-N 3.22Å; M4-L6 PolarHBondContact O-N 2.78Å; M4-L6 VanDerWaalsContact O-N 3.15Å
5V43.5Very low53.2Low135 Ų135151.9 Ų151.982%0.81878%0.775SS**  trans-72.698.7162.5178.20000106.3M3M3-V5 PolarHBondContact O-N 3.43Å
6L39.6Very low55.4Low151 Ų151148.8 Ų148.879%0.79176%0.757SS**  trans-60.2130.7164.5-88.3146.5000108.1M4 R8M4-L6 PolarHBondContact O-N 2.78Å; M4-L6 VanDerWaalsContact O-N 3.15Å; L6-R8 PolarHBondContact O-N 3.32Å
7P44.9Very low57.2Low109 Ų109144.7 Ų144.771%0.70874%0.736SS**  trans-62.2128176.125-29.8000108.6E9P7-E9 PolarHBondContact O-N 3.49Å
8R41.2Very low58.9Low242 Ų242137.9 Ų137.991%0.91370%0.703SS**  trans-59.6104.7168.7-109.7177.3170.5178-3.1107L6 E10L6-R8 PolarHBondContact O-N 3.32Å; R8-E10 PolarHBondContact O-N 3.05Å
9E46.5Very low60.6Low180 Ų180136.8 Ų136.884%0.84170%0.698SS**  trans-60.4107.2161.1-71.3-175.3165.800106.9P7 K11P7-E9 PolarHBondContact O-N 3.49Å; E9-K11 PolarHBondContact O-N 3.12Å
10E54.3Low62.1Low181 Ų181131.8 Ų131.885%0.84668%0.682SS**  trans-59.8105.7167.1-72.4-179.8161.500106.8R8 L12R8-E10 PolarHBondContact O-N 3.05Å; E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.4Å
11K61.5Low63.5Low203 Ų203126.3 Ų126.388%0.88365%0.654SS**  trans-65.296.7175.6-73.2-177.6178.5-178.70107.6E9 S13E9-K11 PolarHBondContact O-N 3.12Å; K11-S13 PolarHBondContact O-N 3.27Å
12L69.4Low66Low116 Ų116120 Ų12061%0.60762%0.62SS**  trans-48.9129.1168.8-78.9140.5000108.9E10 E16 I17E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.4Å; L12-E16 HydrophobicContact CD2-CB 4.01Å; L12-I17 HydrophobicContact CB-CD1 4.17Å; L12-I17 HydrophobicContact CB-CG1 3.79Å
13S80.7Confident68.6Low49 Ų49117.9 Ų117.934%0.34360%0.603SS.*  trans-64.5151.9175.665.20000110K11 D15 E16 I17K11-S13 PolarHBondContact O-N 3.27Å; S13-D15 PolarHBondContact O-N 2.94Å; S13-D15 VanDerWaalsContact O-N 3.15Å; S13-E16 PolarHBondContact N-OE2 2.94Å; S13-E16 PolarHBondContact O-N 3.19Å; S13-E16 WeakPolarHBondContact OG-CB 3.28Å; S13-E16 WeakPolarHBondContact OG-CG 3.11Å; S13-E16 PolarHBondContact OG-N 3Å; S13-E16 PolarHBondContact OG-OE2 3.28Å; S13-I17 WeakPolarHBondContact O-CG1 3.3Å; S13-I17 PolarHBondContact O-N 3.4Å
14Q77.1Confident71.1Confident72 Ų72112.9 Ų112.934%0.33658%0.582SS.*Hα-helixtrans-54.8-35.1178.5-178.6175-1000111.8I17 V18 S82Q14-I17 PolarHBondContact O-N 3.4Å; Q14-V18 VanDerWaalsContact O-CG2 3.29Å; Q14-V18 WeakPolarHBondContact O-CG2 3.47Å; Q14-V18 PolarHBondContact O-N 2.85Å; Q14-S82 PolarHBondContact NE2-O 2.62Å
15D81.6Confident73.5Confident122 Ų122105.2 Ų105.265%0.65255%0.545SS*.Hα-helixtrans-70.5-39.9177.9-67.5-24.4000112.2S13 I17 V18 L19S13-D15 PolarHBondContact O-N 2.94Å; S13-D15 VanDerWaalsContact O-N 3.15Å; D15-I17 VanDerWaalsContact C-N 3.34Å; D15-V18 PolarHBondContact O-N 3.2Å; D15-L19 WeakPolarHBondContact O-CB 3.43Å; D15-L19 VanDerWaalsContact O-CG 3.25Å; D15-L19 WeakPolarHBondContact O-CG 3.32Å; D15-L19 PolarHBondContact O-N 3.45Å
16E87.8Confident75.9Confident102 Ų102105.4 Ų105.448%0.47754%0.537SS..Hα-helixtrans-64.8-38.3173.6-74.1160.5169.600111.8L12 S13 L19 G20L12-E16 HydrophobicContact CD2-CB 4.01Å; S13-E16 PolarHBondContact N-OE2 2.94Å; S13-E16 PolarHBondContact O-N 3.19Å; S13-E16 WeakPolarHBondContact OG-CB 3.28Å; S13-E16 WeakPolarHBondContact OG-CG 3.11Å; S13-E16 PolarHBondContact OG-N 3Å; S13-E16 PolarHBondContact OG-OE2 3.28Å; E16-L19 PolarHBondContact O-N 3.45Å; E16-G20 PolarHBondContact O-N 3.05Å
17I86.1Confident78.4Confident79 Ų79100 Ų10041%0.40552%0.517SS..Hα-helixtrans-64.2-44.5175.2-64.3169.7000110.2L12 S13 Q14 D15 G20 T21 I78L12-I17 HydrophobicContact CB-CD1 4.17Å; L12-I17 HydrophobicContact CB-CG1 3.79Å; S13-I17 WeakPolarHBondContact O-CG1 3.3Å; S13-I17 PolarHBondContact O-N 3.4Å; Q14-I17 PolarHBondContact O-N 3.4Å; D15-I17 VanDerWaalsContact C-N 3.34Å; I17-G20 PolarHBondContact O-N 3.07Å; I17-T21 VanDerWaalsContact O-CB 3.29Å; I17-T21 WeakPolarHBondContact O-CB 3.37Å; I17-T21 PolarHBondContact O-N 2.74Å; I17-T21 PolarHBondContact O-OG1 3.27Å; I17-I78 HydrophobicContact CG2-CG2 4.45Å
18V88.4Confident80.7Confident23 Ų2396.6 Ų96.614%0.13949%0.493CS..Hα-helixtrans-66.1-43.2178.8167.60000111.5Q14 D15 T21 K22 L79 S82Q14-V18 VanDerWaalsContact O-CG2 3.29Å; Q14-V18 WeakPolarHBondContact O-CG2 3.47Å; Q14-V18 PolarHBondContact O-N 2.85Å; D15-V18 PolarHBondContact O-N 3.2Å; V18-T21 PolarHBondContact O-N 3.01Å; V18-K22 HydrophobicContact CG1-CD 4.34Å; V18-K22 WeakPolarHBondContact O-CG 3.36Å; V18-K22 PolarHBondContact O-N 3.1Å; V18-L79 HydrophobicContact CB-CD2 4.42Å; V18-L79 HydrophobicContact CG1-CD2 3.82Å; V18-L79 HydrophobicContact CG2-CD2 4.46Å; V18-S82 WeakPolarHBondContact CG2-OG 3.35Å
19L89.9Confident83.1Confident117 Ų11789.3 Ų89.361%0.61347%0.469SS*.Hα-helixtrans-64.5-45.2176.7-74.3169.1000111.5D15 E16 T21 K22 A23D15-L19 WeakPolarHBondContact O-CB 3.43Å; D15-L19 VanDerWaalsContact O-CG 3.25Å; D15-L19 WeakPolarHBondContact O-CG 3.32Å; D15-L19 PolarHBondContact O-N 3.45Å; E16-L19 PolarHBondContact O-N 3.45Å; L19-T21 PolarHBondContact O-N 3.11Å; L19-K22 PolarHBondContact O-N 2.72Å; L19-A23 PolarHBondContact O-N 3.46Å
20G91.1Very high85.4Confident36 Ų3684.6 Ų84.637%0.37145%0.453SS..Hα-helixtrans-60.1-44.5174.400000112.1E16 I17 K22 A23 V24E16-G20 PolarHBondContact O-N 3.05Å; I17-G20 PolarHBondContact O-N 3.07Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 3.27Å; G20-A23 PolarHBondContact O-N 2.96Å; G20-V24 WeakPolarHBondContact O-CG2 3.35Å; G20-V24 PolarHBondContact O-N 2.74Å
21T91.1Very high87.2Confident17 Ų1779 Ų7910%0.10443%0.428CS..Hα-helixtrans-63.1-39.1178-54.30000111.6I17 V18 L19 V24 I25 A75 I78 L79I17-T21 VanDerWaalsContact O-CB 3.29Å; I17-T21 WeakPolarHBondContact O-CB 3.37Å; I17-T21 PolarHBondContact O-N 2.74Å; I17-T21 PolarHBondContact O-OG1 3.27Å; V18-T21 PolarHBondContact O-N 3.01Å; L19-T21 PolarHBondContact O-N 3.11Å; T21-V24 PolarHBondContact O-N 3.05Å; T21-I25 HydrophobicContact CG2-CD1 4.26Å; T21-I25 VanDerWaalsContact O-CG1 3.3Å; T21-I25 WeakPolarHBondContact O-CG1 3.4Å; T21-I25 PolarHBondContact O-N 3.12Å; T21-A75 HydrophobicContact CG2-CB 3.78Å; T21-A75 WeakPolarHBondContact CG2-O 3.25Å; T21-I78 HydrophobicContact CG2-CB 4.23Å; T21-I78 HydrophobicContact CG2-CG2 4.12Å; T21-L79 HydrophobicContact CG2-CD2 4.23Å; T21-L79 HydrophobicContact CG2-CG 3.99Å
22K91.6Very high88.6Confident113 Ų11372.2 Ų72.249%0.49140%0.397SS..Hα-helixtrans-65-41.3174.5-74.5174-178.8177.10112.6V18 L19 G20 V24 I25 Q26 L79V18-K22 HydrophobicContact CG1-CD 4.34Å; V18-K22 WeakPolarHBondContact O-CG 3.36Å; V18-K22 PolarHBondContact O-N 3.1Å; L19-K22 PolarHBondContact O-N 2.72Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 3.27Å; K22-V24 VanDerWaalsContact C-N 3.35Å; K22-I25 PolarHBondContact O-N 3.03Å; K22-Q26 PolarHBondContact O-N 3.01Å; K22-L79 HydrophobicContact CG-CD1 4.2Å; K22-L79 HydrophobicContact CG-CD2 4.16Å
23A92.4Very high89.6Confident62 Ų6268.5 Ų68.551%0.51239%0.387SS..Hα-helixtrans-64.2-40.717600000111.6L19 G20 Q26 G27L19-A23 PolarHBondContact O-N 3.46Å; G20-A23 PolarHBondContact O-N 2.96Å; A23-Q26 PolarHBondContact O-N 3.49Å; A23-G27 PolarHBondContact O-N 2.93Å
24V93.2Very high90Very high79 Ų7971.6 Ų71.648%0.47940%0.396SS..Hα-helixtrans-62.7-43.8174.3171.30000111.2G20 T21 K22 Q26 G27 L28G20-V24 WeakPolarHBondContact O-CG2 3.35Å; G20-V24 PolarHBondContact O-N 2.74Å; T21-V24 PolarHBondContact O-N 3.05Å; K22-V24 VanDerWaalsContact C-N 3.35Å; V24-Q26 PolarHBondContact O-N 3.13Å; V24-G27 PolarHBondContact O-N 3.07Å; V24-L28 HydrophobicContact CG1-CD1 3.79Å; V24-L28 HydrophobicContact CG1-CG 4.19Å; V24-L28 WeakPolarHBondContact O-CB 3.48Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.23Å; V24-L28 PolarHBondContact O-N 3.27Å
25I92.7Very high90.5Very high22 Ų2270 Ų7011%0.11339%0.388CS..Hα-helixtrans-58.4-49.5175.3-71.6164.7000110.3T21 K22 G27 L28 E29 L72 A75 L79T21-I25 HydrophobicContact CG2-CD1 4.26Å; T21-I25 VanDerWaalsContact O-CG1 3.3Å; T21-I25 WeakPolarHBondContact O-CG1 3.4Å; T21-I25 PolarHBondContact O-N 3.12Å; K22-I25 PolarHBondContact O-N 3.03Å; I25-G27 VanDerWaalsContact C-N 3.31Å; I25-G27 PolarHBondContact O-N 3.4Å; I25-L28 PolarHBondContact O-N 3.37Å; I25-E29 HydrophobicContact CG2-CG 4.24Å; I25-E29 WeakPolarHBondContact O-CB 2.96Å; I25-E29 VanDerWaalsContact O-CG 3.3Å; I25-E29 WeakPolarHBondContact O-CG 3.21Å; I25-E29 PolarHBondContact O-N 3.49Å; I25-L72 HydrophobicContact CB-CD2 4.36Å; I25-L72 HydrophobicContact CG1-CD2 4.41Å; I25-L72 HydrophobicContact CG2-CD2 4Å; I25-A75 HydrophobicContact CD1-CB 3.82Å; I25-A75 HydrophobicContact CG1-CB 3.49Å; I25-A75 VanDerWaalsContact CG1-CB 3.49Å; I25-L79 HydrophobicContact CD1-CD1 3.42Å; I25-L79 VanDerWaalsContact CD1-CD1 3.42Å; I25-L79 HydrophobicContact CD1-CG 4.25Å
26Q92.7Very high90.8Very high139 Ų13969.9 Ų69.965%0.6538%0.379SS*.Hα-helixtrans-58.5-43.2179.9-170.2176.3700111.9K22 A23 V24 E29 T30K22-Q26 PolarHBondContact O-N 3.01Å; A23-Q26 PolarHBondContact O-N 3.49Å; V24-Q26 PolarHBondContact O-N 3.13Å; Q26-E29 PolarHBondContact O-N 3.01Å; Q26-T30 WeakPolarHBondContact O-CG2 3.21Å; Q26-T30 PolarHBondContact O-N 3.38Å; Q26-T30 VanDerWaalsContact O-N 3.1Å; Q26-T30 PolarHBondContact O-OG1 3.24Å
27G93.3Very high90.8Very high36 Ų3668.1 Ų68.137%0.37138%0.381SS..Hα-helixtrans-68.1-36.6176.500000114.1A23 V24 I25 T30 L31A23-G27 PolarHBondContact O-N 2.93Å; V24-G27 PolarHBondContact O-N 3.07Å; I25-G27 VanDerWaalsContact C-N 3.31Å; I25-G27 PolarHBondContact O-N 3.4Å; G27-T30 WeakPolarHBondContact CA-OG1 3.46Å; G27-T30 PolarHBondContact O-OG1 3.15Å; G27-L31 WeakPolarHBondContact O-CB 3.25Å; G27-L31 PolarHBondContact O-N 3.08Å; G27-L31 VanDerWaalsContact O-N 3.07Å
28L92.6Very high90.8Very high38 Ų3869.3 Ų69.320%0.19939%0.388CS..Hα-helixtrans-70.7-33.7174.9-73.4177000111.7V24 I25 L31 R32 I68 L72V24-L28 HydrophobicContact CG1-CD1 3.79Å; V24-L28 HydrophobicContact CG1-CG 4.19Å; V24-L28 WeakPolarHBondContact O-CB 3.48Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.23Å; V24-L28 PolarHBondContact O-N 3.27Å; I25-L28 PolarHBondContact O-N 3.37Å; L28-L31 PolarHBondContact O-N 3.33Å; L28-R32 VanDerWaalsContact O-CB 3.25Å; L28-R32 WeakPolarHBondContact O-CB 3.2Å; L28-R32 PolarHBondContact O-N 2.83Å; L28-I68 HydrophobicContact CB-CG2 4.18Å; L28-I68 HydrophobicContact CD2-CG1 4.5Å; L28-I68 HydrophobicContact CD2-CG2 4.26Å; L28-I68 WeakPolarHBondContact O-CG2 3.34Å; L28-L72 HydrophobicContact CB-CD1 4.48Å; L28-L72 HydrophobicContact CB-CD2 3.57Å; L28-L72 HydrophobicContact CB-CG 3.84Å; L28-L72 HydrophobicContact CD1-CD2 4.23Å; L28-L72 HydrophobicContact CD1-CG 4.25Å
29E92.1Very high90.5Very high90 Ų9069.3 Ų69.342%0.42139%0.387SS..Hα-helixtrans-69.7-38175.5-71.2-162.2125.200112.9I25 Q26 R32 G33 L72I25-E29 HydrophobicContact CG2-CG 4.24Å; I25-E29 WeakPolarHBondContact O-CB 2.96Å; I25-E29 VanDerWaalsContact O-CG 3.3Å; I25-E29 WeakPolarHBondContact O-CG 3.21Å; I25-E29 PolarHBondContact O-N 3.49Å; Q26-E29 PolarHBondContact O-N 3.01Å; E29-R32 IonicContact OE1-CZ 3.36Å; E29-R32 IonicContact OE1-NH1 3.23Å; E29-R32 IonicContact OE1-NH2 3.64Å; E29-R32 PolarHBondContact OE1-NH2 3.36Å; E29-G33 PolarHBondContact O-N 2.87Å; E29-L72 HydrophobicContact CG-CD1 4.32Å; E29-L72 HydrophobicContact CG-CD2 3.85Å
30T93.5Very high90Very high80 Ų8066.7 Ų66.749%0.49138%0.382SS..Hα-helixtrans-64.4-46.3172.452.10000110.8Q26 G27 R32 G33 E34Q26-T30 WeakPolarHBondContact O-CG2 3.21Å; Q26-T30 PolarHBondContact O-N 3.38Å; Q26-T30 VanDerWaalsContact O-N 3.1Å; Q26-T30 PolarHBondContact O-OG1 3.24Å; G27-T30 WeakPolarHBondContact CA-OG1 3.46Å; G27-T30 PolarHBondContact O-OG1 3.15Å; T30-R32 VanDerWaalsContact C-N 3.34Å; T30-R32 PolarHBondContact O-N 3.22Å; T30-G33 WeakPolarHBondContact O-CA 3.41Å; T30-G33 PolarHBondContact O-N 3.35Å; T30-E34 PolarHBondContact O-N 3Å
31L92.2Very high89.4Confident63 Ų6369.5 Ų69.533%0.3339%0.394SS..Hα-helixtrans-63.4-39178.3-169.167.7000112.1G27 L28 G33 E34 H35 I68G27-L31 WeakPolarHBondContact O-CB 3.25Å; G27-L31 PolarHBondContact O-N 3.08Å; G27-L31 VanDerWaalsContact O-N 3.07Å; L28-L31 PolarHBondContact O-N 3.33Å; L31-G33 VanDerWaalsContact C-N 3.3Å; L31-G33 PolarHBondContact O-N 3.01Å; L31-E34 PolarHBondContact O-N 2.75Å; L31-H35 WeakPolarHBondContact O-CB 3.49Å; L31-H35 PolarHBondContact O-CD2 2.92Å; L31-H35 VanDerWaalsContact O-CD2 3.23Å; L31-H35 PolarHBondContact O-N 2.88Å; L31-I68 HydrophobicContact CB-CD1 4.29Å; L31-I68 HydrophobicContact CD2-CD1 3.65Å; L31-I68 HydrophobicContact CD2-CG1 4.05Å; L31-I68 HydrophobicContact CG-CD1 3.7Å
32R91.8Very high88.4Confident61 Ų6172.1 Ų72.123%0.2341%0.407CS..Hα-helixtrans-59.4-41.5171.9-174.4-175.364.5-164.2-9.2111.4L28 E29 T30 R36 L65 I68L28-R32 VanDerWaalsContact O-CB 3.25Å; L28-R32 WeakPolarHBondContact O-CB 3.2Å; L28-R32 PolarHBondContact O-N 2.83Å; E29-R32 IonicContact OE1-CZ 3.36Å; E29-R32 IonicContact OE1-NH1 3.23Å; E29-R32 IonicContact OE1-NH2 3.64Å; E29-R32 PolarHBondContact OE1-NH2 3.36Å; T30-R32 VanDerWaalsContact C-N 3.34Å; T30-R32 PolarHBondContact O-N 3.22Å; R32-R36 WeakPolarHBondContact O-CB 3.49Å; R32-R36 WeakPolarHBondContact O-CG 3.46Å; R32-R36 PolarHBondContact O-N 3.14Å; R32-L65 HydrophobicContact CG-CD2 4.07Å; R32-I68 HydrophobicContact CB-CG2 3.85Å; R32-I68 HydrophobicContact CG-CG2 4.49Å
33G89.1Confident87.2Confident39 Ų3970.2 Ų70.240%0.40241%0.405SS..Hα-helixtrans-62-47.8176.500000112.2E29 T30 L31 R36 A37E29-G33 PolarHBondContact O-N 2.87Å; T30-G33 WeakPolarHBondContact O-CA 3.41Å; T30-G33 PolarHBondContact O-N 3.35Å; L31-G33 VanDerWaalsContact C-N 3.3Å; L31-G33 PolarHBondContact O-N 3.01Å; G33-R36 PolarHBondContact O-N 2.92Å; G33-A37 WeakPolarHBondContact O-CB 3.43Å; G33-A37 PolarHBondContact O-N 3.31Å
34E90.4Very high85.9Confident114 Ų11469.8 Ų69.853%0.53340%0.401SS..Hα-helixtrans-62.5-47.4177.3-69.1172.4-17500112T30 L31 R36 A37 L38T30-E34 PolarHBondContact O-N 3Å; L31-E34 PolarHBondContact O-N 2.75Å; E34-R36 VanDerWaalsContact C-N 3.32Å; E34-R36 PolarHBondContact O-N 3.48Å; E34-A37 PolarHBondContact O-N 2.95Å; E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 3.48Å
35H88Confident84.2Confident37 Ų3772.6 Ų72.617%0.17142%0.421CS..Hα-helixtrans-66.2-32.9179.1-78.6-134.3000112.5L31 L39 L61 S64 L65L31-H35 WeakPolarHBondContact O-CB 3.49Å; L31-H35 PolarHBondContact O-CD2 2.92Å; L31-H35 VanDerWaalsContact O-CD2 3.23Å; L31-H35 PolarHBondContact O-N 2.88Å; H35-L39 VanDerWaalsContact O-CB 3.23Å; H35-L39 WeakPolarHBondContact O-CB 3.31Å; H35-L39 PolarHBondContact O-N 3.42Å; H35-L39 VanDerWaalsContact O-N 3.09Å; H35-L61 HydrophobicContact CB-CD2 4.41Å; H35-S64 PolarHBondContact CE1-OG 3.22Å; H35-S64 VanDerWaalsContact CE1-OG 3.27Å; H35-S64 PolarHBondContact ND1-OG 3.33Å; H35-L65 HydrophobicContact CB-CD1 4.5Å; H35-L65 HydrophobicContact CB-CD2 3.53Å; H35-L65 HydrophobicContact CB-CG 3.86Å
36R87.8Confident82.1Confident121 Ų12180.1 Ų80.146%0.45746%0.456SS..Hα-helixtrans-69.8-40.1171.3-78.8-177.2-177.4165.12112.2R32 G33 E34 L38 L39 A40 L65 E69R32-R36 WeakPolarHBondContact O-CB 3.49Å; R32-R36 WeakPolarHBondContact O-CG 3.46Å; R32-R36 PolarHBondContact O-N 3.14Å; G33-R36 PolarHBondContact O-N 2.92Å; E34-R36 VanDerWaalsContact C-N 3.32Å; E34-R36 PolarHBondContact O-N 3.48Å; R36-L38 VanDerWaalsContact C-N 3.34Å; R36-L39 PolarHBondContact O-N 2.98Å; R36-A40 PolarHBondContact O-N 3.18Å; R36-L65 HydrophobicContact CG-CD1 4.14Å; R36-L65 HydrophobicContact CG-CD2 3.96Å; R36-E69 IonicContact CZ-OE1 3.94Å; R36-E69 IonicContact NH2-OE1 3.13Å; R36-E69 PolarHBondContact NH2-OE1 3.44Å
37A87.2Confident80.1Confident64 Ų6479 Ų7953%0.52947%0.47SS..Hα-helixtrans-64.5-38176.500000112G33 E34 P41G33-A37 WeakPolarHBondContact O-CB 3.43Å; G33-A37 PolarHBondContact O-N 3.31Å; E34-A37 PolarHBondContact O-N 2.95Å; A37-P41 WeakPolarHBondContact O-CD 3.38Å
38L85.1Confident78.1Confident104 Ų10480.2 Ų80.255%0.54548%0.483SS..Hα-helixtrans-72.1-29.3174.9-69.2173.6000113.2E34 R36 L61E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 3.48Å; R36-L38 VanDerWaalsContact C-N 3.34Å; L38-L61 HydrophobicContact CB-CD1 4.11Å; L38-L61 HydrophobicContact CB-CD2 4.31Å; L38-L61 HydrophobicContact CD1-CD2 4.46Å
39L83.1Confident76.1Confident24 Ų2487.7 Ų87.713%0.12652%0.517CS..Hα-helixtrans-81.7-28.8179.5-174.7146.4000112.8H35 R36 L42 V43 L61 R62 L65H35-L39 VanDerWaalsContact O-CB 3.23Å; H35-L39 WeakPolarHBondContact O-CB 3.31Å; H35-L39 PolarHBondContact O-N 3.42Å; H35-L39 VanDerWaalsContact O-N 3.09Å; R36-L39 PolarHBondContact O-N 2.98Å; L39-L42 PolarHBondContact O-N 3.29Å; L39-V43 HydrophobicContact CD2-CB 4.38Å; L39-V43 HydrophobicContact CD2-CG2 3.59Å; L39-V43 HydrophobicContact CG-CG2 3.97Å; L39-V43 WeakPolarHBondContact O-CG2 3.43Å; L39-V43 PolarHBondContact O-N 3.39Å; L39-L61 HydrophobicContact CD1-CB 4.06Å; L39-R62 HydrophobicContact CD1-CG 3.56Å; L39-L65 HydrophobicContact CD1-CD1 3.91Å
40A79.1Confident74.3Confident61 Ų6187.6 Ų87.650%0.50453%0.531SS..Hα-helixtrans-58.4-44.1-177.400000114.3R36 A44R36-A40 PolarHBondContact O-N 3.18Å; A40-A44 PolarHBondContact O-N 3.08Å
41P78.3Confident72.7Confident95 Ų9589.8 Ų89.862%0.61754%0.536SS*.Hα-helixtrans-69-31.2175.4-19.932.1000113.6A37 V43A37-P41 WeakPolarHBondContact O-CD 3.38Å; P41-V43 VanDerWaalsContact C-N 3.27Å; P41-V43 PolarHBondContact O-N 2.9Å
42L70.6Confident70.9Confident73 Ų7392.6 Ų92.638%0.38256%0.558SS.*Hα-helixtrans-78.8-9.3-177.7-65.3173.9000113.6L39 R57 L61L39-L42 PolarHBondContact O-N 3.29Å; L42-R57 HydrophobicContact CD1-CB 4.36Å; L42-L61 HydrophobicContact CD1-CD1 3.76Å
43V65.3Low69.6Low73 Ų7390.8 Ų90.844%0.44256%0.559SS.*Hα-helixtrans-113.5-13.8-179.1176.40000111.8L39 P41L39-V43 HydrophobicContact CD2-CB 4.38Å; L39-V43 HydrophobicContact CD2-CG2 3.59Å; L39-V43 HydrophobicContact CG-CG2 3.97Å; L39-V43 WeakPolarHBondContact O-CG2 3.43Å; L39-V43 PolarHBondContact O-N 3.39Å; P41-V43 VanDerWaalsContact C-N 3.27Å; P41-V43 PolarHBondContact O-N 2.9Å
44A65.8Low68.6Low53 Ų5390.5 Ų90.544%0.43855%0.55SS.*SBendtrans-66.1137.2175.500000111A40 E46A40-A44 PolarHBondContact O-N 3.08Å; A44-E46 VanDerWaalsContact C-N 3.3Å; A44-E46 PolarHBondContact O-N 3.06Å
45P56.9Low67.9Low137 Ų13792.2 Ų92.289%0.8956%0.558SS**  trans-84.671.2-178.635.1-32.9000109.8
46E49.4Very low67.4Low180 Ų18097.7 Ų97.784%0.84158%0.584SS**  trans-101121.3168.4-66.8-145.5162.400110.9A44 G48A44-E46 VanDerWaalsContact C-N 3.3Å; A44-E46 PolarHBondContact O-N 3.06Å; E46-G48 PolarHBondContact O-N 3.49Å; E46-G48 VanDerWaalsContact O-N 3.12Å
47A49.7Very low67Low115 Ų11598.3 Ų98.395%0.9559%0.586SS**  trans-70.197.2174.200000109.5
48G51.8Low66.8Low62 Ų6296 Ų9664%0.63957%0.566SS**SBendtrans179.2106.6171.700000110.4E46E46-G48 PolarHBondContact O-N 3.49Å; E46-G48 VanDerWaalsContact O-N 3.12Å
49E50.8Low66.8Low196 Ų19696.2 Ų96.292%0.91657%0.567SS**  trans32.888.6170.3-61.4-172.5172.400116.1E51E49-E51 PolarHBondContact O-N 3.41Å
50A54.6Low67Low88 Ų88101 Ų10173%0.72759%0.592SS**  trans-61.4106.8170.300000110.1
51E59.1Low67.4Low126 Ų12699.2 Ų99.259%0.58957%0.574SS**  trans-45125.6168-87.9-104.9149.200110.3E49 G53 S54 R57E49-E51 PolarHBondContact O-N 3.41Å; E51-G53 PolarHBondContact O-N 2.94Å; E51-G53 VanDerWaalsContact O-N 3.12Å; E51-S54 WeakPolarHBondContact O-CB 3.47Å; E51-S54 PolarHBondContact O-N 3.43Å; E51-S54 PolarHBondContact O-OG 2.97Å; E51-R57 IonicContact OE2-NH1 3.38Å
52P55.2Low67.8Low121 Ų121100.4 Ų100.479%0.78657%0.566SS**THydrogen-bonded Turntrans-61.1118175.721.6-28.4000109.3
53G64.4Low68.8Low24 Ų24105.8 Ų105.825%0.24758%0.581CS.*THydrogen-bonded Turntrans106.8-6-17500000115.5E51 Q55 E56 R57E51-G53 PolarHBondContact O-N 2.94Å; E51-G53 VanDerWaalsContact O-N 3.12Å; G53-Q55 VanDerWaalsContact C-N 3.3Å; G53-Q55 PolarHBondContact O-N 3.03Å; G53-E56 PolarHBondContact O-N 3.41Å; G53-R57 VanDerWaalsContact O-CG 3.3Å; G53-R57 WeakPolarHBondContact O-CG 3.34Å; G53-R57 PolarHBondContact O-N 3.2Å; G53-R57 VanDerWaalsContact O-N 3.08Å
54S68.7Low70Confident32 Ų32104 Ų10422%0.22457%0.571CS.*Hα-helixtrans-57.9-38.6173.452.70000113.3E51 R57 C58E51-S54 WeakPolarHBondContact O-CB 3.47Å; E51-S54 PolarHBondContact O-N 3.43Å; E51-S54 PolarHBondContact O-OG 2.97Å; S54-R57 PolarHBondContact O-N 3.34Å; S54-C58 WeakPolarHBondContact O-CB 3.5Å; S54-C58 PolarHBondContact O-N 2.88Å
55Q74.8Confident71.2Confident151 Ų151102.2 Ų102.271%0.70656%0.555SS**Hα-helixtrans-70.3-39179-170154.7-2.100112.9G53 C58 I59G53-Q55 VanDerWaalsContact C-N 3.3Å; G53-Q55 PolarHBondContact O-N 3.03Å; Q55-C58 PolarHBondContact O-N 3.38Å; Q55-I59 HydrophobicContact CG-CD1 4.42Å; Q55-I59 WeakPolarHBondContact O-CG1 3.41Å; Q55-I59 PolarHBondContact O-N 3.04Å
56E78.8Confident72.8Confident151 Ų151102 Ų10271%0.70654%0.542SS*.Hα-helixtrans-66.5-40.8175.2-65.3-179.6171.200111.5G53 C58 I59 L60G53-E56 PolarHBondContact O-N 3.41Å; E56-C58 VanDerWaalsContact C-N 3.34Å; E56-C58 PolarHBondContact O-N 3.48Å; E56-I59 PolarHBondContact O-N 2.97Å; E56-L60 PolarHBondContact O-N 3.02Å
57R79.6Confident74.9Confident134 Ų13496.6 Ų96.651%0.50653%0.528SS..Hα-helixtrans-61.2-40.5173.3-69.1169.9-173.5143.62111.8L42 E51 G53 S54 L60 L61L42-R57 HydrophobicContact CD1-CB 4.36Å; E51-R57 IonicContact OE2-NH1 3.38Å; G53-R57 VanDerWaalsContact O-CG 3.3Å; G53-R57 WeakPolarHBondContact O-CG 3.34Å; G53-R57 PolarHBondContact O-N 3.2Å; G53-R57 VanDerWaalsContact O-N 3.08Å; S54-R57 PolarHBondContact O-N 3.34Å; R57-L60 PolarHBondContact O-N 2.96Å; R57-L61 WeakPolarHBondContact O-CB 3.4Å; R57-L61 WeakPolarHBondContact O-CG 3.49Å; R57-L61 PolarHBondContact O-N 3.33Å
58C82.4Confident76.9Confident17 Ų1791.6 Ų91.612%0.11549%0.485CS..Hα-helixtrans-64.5-42.3176.2-1690000112S54 Q55 E56 L61 R62S54-C58 WeakPolarHBondContact O-CB 3.5Å; S54-C58 PolarHBondContact O-N 2.88Å; Q55-C58 PolarHBondContact O-N 3.38Å; E56-C58 VanDerWaalsContact C-N 3.34Å; E56-C58 PolarHBondContact O-N 3.48Å; C58-L61 PolarHBondContact O-N 2.9Å; C58-R62 VanDerWaalsContact O-CG 3.29Å; C58-R62 WeakPolarHBondContact O-CG 3.31Å; C58-R62 PolarHBondContact O-N 3Å
59I85.4Confident78.8Confident107 Ų10793 Ų9355%0.54948%0.475SS..Hα-helixtrans-63.8-43.8176-67.3164000110.9Q55 E56 R62 R63Q55-I59 HydrophobicContact CG-CD1 4.42Å; Q55-I59 WeakPolarHBondContact O-CG1 3.41Å; Q55-I59 PolarHBondContact O-N 3.04Å; E56-I59 PolarHBondContact O-N 2.97Å; I59-R62 PolarHBondContact O-N 2.92Å; I59-R63 WeakPolarHBondContact O-CB 3.41Å; I59-R63 PolarHBondContact O-N 3.39Å
60L87.2Confident80.9Confident126 Ų12688.8 Ų88.866%0.6646%0.458SS*.Hα-helixtrans-63.1-44.9178-161.792.5000111.6E56 R57 R63 S64E56-L60 PolarHBondContact O-N 3.02Å; R57-L60 PolarHBondContact O-N 2.96Å; L60-R63 PolarHBondContact O-N 3.46Å; L60-S64 WeakPolarHBondContact O-CB 3.31Å; L60-S64 PolarHBondContact O-N 3.1Å; L60-S64 PolarHBondContact O-OG 3.2Å
61L86.6Confident82.6Confident22 Ų2285.6 Ų85.612%0.11543%0.433CS..Hα-helixtrans-63.8-41.7177.9-77.2167.4000111.8H35 L38 L39 L42 R57 C58 S64 L65H35-L61 HydrophobicContact CB-CD2 4.41Å; L38-L61 HydrophobicContact CB-CD1 4.11Å; L38-L61 HydrophobicContact CB-CD2 4.31Å; L38-L61 HydrophobicContact CD1-CD2 4.46Å; L39-L61 HydrophobicContact CD1-CB 4.06Å; L42-L61 HydrophobicContact CD1-CD1 3.76Å; R57-L61 WeakPolarHBondContact O-CB 3.4Å; R57-L61 WeakPolarHBondContact O-CG 3.49Å; R57-L61 PolarHBondContact O-N 3.33Å; C58-L61 PolarHBondContact O-N 2.9Å; L61-S64 WeakPolarHBondContact CA-OG 3.37Å; L61-S64 PolarHBondContact O-N 3.45Å; L61-S64 PolarHBondContact O-OG 3.28Å; L61-L65 WeakPolarHBondContact O-CG 3.36Å; L61-L65 PolarHBondContact O-N 2.89Å
62R87.6Confident84.2Confident120 Ų12080.5 Ų80.545%0.45341%0.41SS..Hα-helixtrans-60.9-47174.1-73176.4-176.3-870.9112.2L39 C58 I59 S64 L65 E66L39-R62 HydrophobicContact CD1-CG 3.56Å; C58-R62 VanDerWaalsContact O-CG 3.29Å; C58-R62 WeakPolarHBondContact O-CG 3.31Å; C58-R62 PolarHBondContact O-N 3Å; I59-R62 PolarHBondContact O-N 2.92Å; R62-S64 VanDerWaalsContact C-N 3.3Å; R62-S64 PolarHBondContact O-N 3.19Å; R62-L65 PolarHBondContact O-N 2.89Å; R62-E66 WeakPolarHBondContact O-CG 3.32Å; R62-E66 PolarHBondContact O-N 3.03Å
63R90.9Very high85.9Confident187 Ų18776.5 Ų76.571%0.70639%0.391SS*.Hα-helixtrans-62.1-38.4177.9-173.3177.5178.1-177.1-0.8112.4I59 L60 A67I59-R63 WeakPolarHBondContact O-CB 3.41Å; I59-R63 PolarHBondContact O-N 3.39Å; L60-R63 PolarHBondContact O-N 3.46Å; R63-A67 PolarHBondContact O-N 3.5Å; R63-A67 VanDerWaalsContact O-N 3.15Å
64S89.8Confident87.3Confident34 Ų3481 Ų8124%0.23841%0.406CS..Hα-helixtrans-69.1-36.5175.866.80000112.7H35 L60 L61 R62 A67 I68H35-S64 PolarHBondContact CE1-OG 3.22Å; H35-S64 VanDerWaalsContact CE1-OG 3.27Å; H35-S64 PolarHBondContact ND1-OG 3.33Å; L60-S64 WeakPolarHBondContact O-CB 3.31Å; L60-S64 PolarHBondContact O-N 3.1Å; L60-S64 PolarHBondContact O-OG 3.2Å; L61-S64 WeakPolarHBondContact CA-OG 3.37Å; L61-S64 PolarHBondContact O-N 3.45Å; L61-S64 PolarHBondContact O-OG 3.28Å; R62-S64 VanDerWaalsContact C-N 3.3Å; R62-S64 PolarHBondContact O-N 3.19Å; S64-A67 PolarHBondContact O-N 3.48Å; S64-I68 WeakPolarHBondContact O-CD1 3.17Å; S64-I68 VanDerWaalsContact O-CG1 3.22Å; S64-I68 WeakPolarHBondContact O-CG1 3.41Å; S64-I68 PolarHBondContact O-N 3.49Å
65L90.8Very high88.4Confident17 Ų1779.8 Ų79.89%0.08940%0.398CS..Hα-helixtrans-65-42.5173.8-77.9169.9000111.8R32 H35 R36 L39 L61 R62 A67 I68 E69R32-L65 HydrophobicContact CG-CD2 4.07Å; H35-L65 HydrophobicContact CB-CD1 4.5Å; H35-L65 HydrophobicContact CB-CD2 3.53Å; H35-L65 HydrophobicContact CB-CG 3.86Å; R36-L65 HydrophobicContact CG-CD1 4.14Å; R36-L65 HydrophobicContact CG-CD2 3.96Å; L39-L65 HydrophobicContact CD1-CD1 3.91Å; L61-L65 WeakPolarHBondContact O-CG 3.36Å; L61-L65 PolarHBondContact O-N 2.89Å; R62-L65 PolarHBondContact O-N 2.89Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 2.92Å; L65-I68 PolarHBondContact O-N 3.38Å; L65-E69 WeakPolarHBondContact O-CB 3.32Å; L65-E69 WeakPolarHBondContact O-CG 3.42Å; L65-E69 PolarHBondContact O-N 2.69Å
66E92.4Very high89.2Confident133 Ų13378.1 Ų78.162%0.62139%0.39SS*.Hα-helixtrans-59.3-41.8174.6-73.1171.7-171.700111.7R62 E69 L70R62-E66 WeakPolarHBondContact O-CG 3.32Å; R62-E66 PolarHBondContact O-N 3.03Å; E66-E69 PolarHBondContact O-N 2.86Å; E66-L70 WeakPolarHBondContact O-CB 3.48Å; E66-L70 PolarHBondContact O-N 2.97Å
67A92.1Very high89.9Confident65 Ų6575.5 Ų75.554%0.53738%0.384SS..Hα-helixtrans-65.7-40176.100000112.6R63 S64 L65 L70 G71R63-A67 PolarHBondContact O-N 3.5Å; R63-A67 VanDerWaalsContact O-N 3.15Å; S64-A67 PolarHBondContact O-N 3.48Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 2.92Å; A67-L70 PolarHBondContact O-N 2.68Å; A67-G71 PolarHBondContact O-N 3.13Å
68I92.2Very high90.5Very high10 Ų1072.8 Ų72.85%0.05138%0.379CS..Hα-helixtrans-66.7-41.6176.5-67.6161.9000111L28 L31 R32 S64 L65 L70 G71 L72L28-I68 HydrophobicContact CB-CG2 4.18Å; L28-I68 HydrophobicContact CD2-CG1 4.5Å; L28-I68 HydrophobicContact CD2-CG2 4.26Å; L28-I68 WeakPolarHBondContact O-CG2 3.34Å; L31-I68 HydrophobicContact CB-CD1 4.29Å; L31-I68 HydrophobicContact CD2-CD1 3.65Å; L31-I68 HydrophobicContact CD2-CG1 4.05Å; L31-I68 HydrophobicContact CG-CD1 3.7Å; R32-I68 HydrophobicContact CB-CG2 3.85Å; R32-I68 HydrophobicContact CG-CG2 4.49Å; S64-I68 WeakPolarHBondContact O-CD1 3.17Å; S64-I68 VanDerWaalsContact O-CG1 3.22Å; S64-I68 WeakPolarHBondContact O-CG1 3.41Å; S64-I68 PolarHBondContact O-N 3.49Å; L65-I68 PolarHBondContact O-N 3.38Å; I68-L70 VanDerWaalsContact C-N 3.34Å; I68-G71 PolarHBondContact O-N 3.31Å; I68-L72 HydrophobicContact CG2-CD1 4.1Å; I68-L72 HydrophobicContact CG2-CG 4.49Å; I68-L72 WeakPolarHBondContact O-CB 3.35Å; I68-L72 WeakPolarHBondContact O-CG 3.19Å; I68-L72 PolarHBondContact O-N 2.91Å
69E91.8Very high90.9Very high91 Ų9173.5 Ų73.543%0.42538%0.381SS..Hα-helixtrans-65.7-36.8177.4-73.7-179.8173.400111.9R36 L65 E66 G73R36-E69 IonicContact CZ-OE1 3.94Å; R36-E69 IonicContact NH2-OE1 3.13Å; R36-E69 PolarHBondContact NH2-OE1 3.44Å; L65-E69 WeakPolarHBondContact O-CB 3.32Å; L65-E69 WeakPolarHBondContact O-CG 3.42Å; L65-E69 PolarHBondContact O-N 2.69Å; E66-E69 PolarHBondContact O-N 2.86Å; E69-G73 PolarHBondContact O-N 3.22Å
70L93.8Very high91.2Very high109 Ų10970.4 Ų70.457%0.57137%0.372SS*.Hα-helixtrans-65.8-46.1173.4-166.2131.8000111.6E66 A67 I68 L72 G73 E74E66-L70 WeakPolarHBondContact O-CB 3.48Å; E66-L70 PolarHBondContact O-N 2.97Å; A67-L70 PolarHBondContact O-N 2.68Å; I68-L70 VanDerWaalsContact C-N 3.34Å; L70-L72 VanDerWaalsContact C-N 3.34Å; L70-L72 PolarHBondContact O-N 3.49Å; L70-G73 WeakPolarHBondContact O-CA 3.4Å; L70-G73 PolarHBondContact O-N 2.88Å; L70-G73 VanDerWaalsContact O-N 3.12Å; L70-E74 WeakPolarHBondContact CD2-OE1 3.37Å; L70-E74 WeakPolarHBondContact O-CG 3.34Å; L70-E74 PolarHBondContact O-N 3.4Å
71G91.9Very high91.4Very high20 Ų2070.3 Ų70.321%0.20637%0.371CS..Hα-helixtrans-62.5-37.117600000113.6A67 I68 E74 A75A67-G71 PolarHBondContact O-N 3.13Å; I68-G71 PolarHBondContact O-N 3.31Å; G71-E74 PolarHBondContact O-N 3.47Å; G71-A75 WeakPolarHBondContact O-CB 3.35Å; G71-A75 PolarHBondContact O-N 3.04Å
72L91.6Very high91.6Very high19 Ų1970.4 Ų70.410%0.09937%0.374CS..Hα-helixtrans-64.6-40.6171.9-75.9170.6000111.8I25 L28 E29 I68 L70 A75 Q76I25-L72 HydrophobicContact CB-CD2 4.36Å; I25-L72 HydrophobicContact CG1-CD2 4.41Å; I25-L72 HydrophobicContact CG2-CD2 4Å; L28-L72 HydrophobicContact CB-CD1 4.48Å; L28-L72 HydrophobicContact CB-CD2 3.57Å; L28-L72 HydrophobicContact CB-CG 3.84Å; L28-L72 HydrophobicContact CD1-CD2 4.23Å; L28-L72 HydrophobicContact CD1-CG 4.25Å; E29-L72 HydrophobicContact CG-CD1 4.32Å; E29-L72 HydrophobicContact CG-CD2 3.85Å; I68-L72 HydrophobicContact CG2-CD1 4.1Å; I68-L72 HydrophobicContact CG2-CG 4.49Å; I68-L72 WeakPolarHBondContact O-CB 3.35Å; I68-L72 WeakPolarHBondContact O-CG 3.19Å; I68-L72 PolarHBondContact O-N 2.91Å; L70-L72 VanDerWaalsContact C-N 3.34Å; L70-L72 PolarHBondContact O-N 3.49Å; L72-A75 PolarHBondContact O-N 3.47Å; L72-Q76 WeakPolarHBondContact O-CB 3.38Å; L72-Q76 PolarHBondContact O-N 3.33Å
73G91.6Very high91.7Very high38 Ų3868.7 Ų68.739%0.39238%0.38SS..Hα-helixtrans-60.5-46.8174.800000112.4E69 L70 Q76 V77E69-G73 PolarHBondContact O-N 3.22Å; L70-G73 WeakPolarHBondContact O-CA 3.4Å; L70-G73 PolarHBondContact O-N 2.88Å; L70-G73 VanDerWaalsContact O-N 3.12Å; G73-Q76 PolarHBondContact O-N 3.14Å; G73-V77 WeakPolarHBondContact O-CG2 3.44Å; G73-V77 PolarHBondContact O-N 2.9Å; G73-V77 VanDerWaalsContact O-N 3.08Å
74E93.6Very high91.8Very high118 Ų11866.2 Ų66.255%0.55138%0.376SS*.Hα-helixtrans-62.7-45.6177.3-69.9178.2169.200112.1L70 G71 Q76 V77 I78L70-E74 WeakPolarHBondContact CD2-OE1 3.37Å; L70-E74 WeakPolarHBondContact O-CG 3.34Å; L70-E74 PolarHBondContact O-N 3.4Å; G71-E74 PolarHBondContact O-N 3.47Å; E74-Q76 VanDerWaalsContact C-N 3.33Å; E74-Q76 PolarHBondContact O-N 2.78Å; E74-V77 PolarHBondContact O-N 2.62Å; E74-I78 WeakPolarHBondContact O-CG1 3.48Å; E74-I78 PolarHBondContact O-N 3.06Å
75A91.6Very high91.9Very high7 Ų768.2 Ų68.26%0.05838%0.384CS..Hα-helixtrans-63.2-37.6177.500000112.5T21 I25 G71 L72 V77 I78 L79T21-A75 HydrophobicContact CG2-CB 3.78Å; T21-A75 WeakPolarHBondContact CG2-O 3.25Å; I25-A75 HydrophobicContact CD1-CB 3.82Å; I25-A75 HydrophobicContact CG1-CB 3.49Å; I25-A75 VanDerWaalsContact CG1-CB 3.49Å; G71-A75 WeakPolarHBondContact O-CB 3.35Å; G71-A75 PolarHBondContact O-N 3.04Å; L72-A75 PolarHBondContact O-N 3.47Å; A75-V77 VanDerWaalsContact C-N 3.35Å; A75-I78 PolarHBondContact O-N 3.41Å; A75-L79 PolarHBondContact O-N 2.84Å; A75-L79 VanDerWaalsContact O-N 3.08Å
76Q92.1Very high91.8Very high115 Ų11568.8 Ų68.854%0.53739%0.394SS..Hα-helixtrans-65.4-38.1175.3-169.664.329.800112L72 G73 E74 L79 A80L72-Q76 WeakPolarHBondContact O-CB 3.38Å; L72-Q76 PolarHBondContact O-N 3.33Å; G73-Q76 PolarHBondContact O-N 3.14Å; E74-Q76 VanDerWaalsContact C-N 3.33Å; E74-Q76 PolarHBondContact O-N 2.78Å; Q76-L79 PolarHBondContact O-N 3.37Å; Q76-A80 PolarHBondContact O-N 3.05Å
77V93.7Very high91.8Very high96 Ų9664.8 Ų64.858%0.58238%0.383SS*.Hα-helixtrans-64.7-41.6174.6171.30000111G73 E74 A75 L79 A80 L81G73-V77 WeakPolarHBondContact O-CG2 3.44Å; G73-V77 PolarHBondContact O-N 2.9Å; G73-V77 VanDerWaalsContact O-N 3.08Å; E74-V77 PolarHBondContact O-N 2.62Å; A75-V77 VanDerWaalsContact C-N 3.35Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 3.14Å; V77-A80 PolarHBondContact O-N 3.06Å; V77-L81 WeakPolarHBondContact O-CB 3.46Å; V77-L81 PolarHBondContact O-N 3Å
78I91.3Very high91.8Very high78 Ų7865.8 Ų65.840%0.438%0.383SS..Hα-helixtrans-60-44.2176.2-67.9167.9000110.9I17 T21 E74 A75 L81 S82I17-I78 HydrophobicContact CG2-CG2 4.45Å; T21-I78 HydrophobicContact CG2-CB 4.23Å; T21-I78 HydrophobicContact CG2-CG2 4.12Å; E74-I78 WeakPolarHBondContact O-CG1 3.48Å; E74-I78 PolarHBondContact O-N 3.06Å; A75-I78 PolarHBondContact O-N 3.41Å; I78-L81 PolarHBondContact O-N 3.43Å; I78-S82 PolarHBondContact O-N 3.36Å
79L90.3Very high91.8Very high31 Ų3169.1 Ų69.116%0.16240%0.398CS..Hα-helixtrans-63.7-44.9175.6-72.1-178.4000112.5V18 T21 K22 I25 A75 Q76 V77 L81 S82 S83V18-L79 HydrophobicContact CB-CD2 4.42Å; V18-L79 HydrophobicContact CG1-CD2 3.82Å; V18-L79 HydrophobicContact CG2-CD2 4.46Å; T21-L79 HydrophobicContact CG2-CD2 4.23Å; T21-L79 HydrophobicContact CG2-CG 3.99Å; K22-L79 HydrophobicContact CG-CD1 4.2Å; K22-L79 HydrophobicContact CG-CD2 4.16Å; I25-L79 HydrophobicContact CD1-CD1 3.42Å; I25-L79 VanDerWaalsContact CD1-CD1 3.42Å; I25-L79 HydrophobicContact CD1-CG 4.25Å; A75-L79 PolarHBondContact O-N 2.84Å; A75-L79 VanDerWaalsContact O-N 3.08Å; Q76-L79 PolarHBondContact O-N 3.37Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 3.14Å; L79-L81 VanDerWaalsContact C-N 3.34Å; L79-L81 PolarHBondContact O-N 2.89Å; L79-S82 PolarHBondContact O-N 2.88Å; L79-S82 PolarHBondContact O-OG 2.98Å; L79-S83 PolarHBondContact O-N 3.34Å
80A91.4Very high91.8Very high43 Ų4367 Ų6736%0.35539%0.394SS..Hα-helixtrans-60.6-44.1177.200000111.6Q76 V77 S82 S83 H84Q76-A80 PolarHBondContact O-N 3.05Å; V77-A80 PolarHBondContact O-N 3.06Å; A80-S82 PolarHBondContact O-N 3.32Å; A80-S83 PolarHBondContact O-N 3.17Å; A80-H84 PolarHBondContact O-CD2 3.37Å; A80-H84 PolarHBondContact O-N 3.37Å
81L92.4Very high91.7Very high123 Ų12367.7 Ų67.764%0.64439%0.394SS*.Hα-helixtrans-59.8-45176.3-167.194.6000111.4V77 I78 L79 S83 H84 L85V77-L81 WeakPolarHBondContact O-CB 3.46Å; V77-L81 PolarHBondContact O-N 3Å; I78-L81 PolarHBondContact O-N 3.43Å; L79-L81 VanDerWaalsContact C-N 3.34Å; L79-L81 PolarHBondContact O-N 2.89Å; L81-S83 VanDerWaalsContact C-N 3.32Å; L81-S83 PolarHBondContact O-N 2.97Å; L81-H84 PolarHBondContact O-N 2.89Å; L81-L85 WeakPolarHBondContact O-CB 3.44Å; L81-L85 PolarHBondContact O-N 3.35Å
82S90.4Very high91.8Very high24 Ų2471.9 Ų71.917%0.16841%0.407CS..Hα-helixtrans-62.1-38.2178.776.30000112.6Q14 V18 I78 L79 A80 L85 G86Q14-S82 PolarHBondContact NE2-O 2.62Å; V18-S82 WeakPolarHBondContact CG2-OG 3.35Å; I78-S82 PolarHBondContact O-N 3.36Å; L79-S82 PolarHBondContact O-N 2.88Å; L79-S82 PolarHBondContact O-OG 2.98Å; A80-S82 PolarHBondContact O-N 3.32Å; S82-L85 PolarHBondContact O-N 3.46Å; S82-G86 PolarHBondContact O-N 2.98Å
83S90Very high91.9Very high85 Ų8577.3 Ų77.359%0.59443%0.431SS*.Hα-helixtrans-68.4-42.3176.3-176.10000111.8L79 A80 L81 G86 A87L79-S83 PolarHBondContact O-N 3.34Å; A80-S83 PolarHBondContact O-N 3.17Å; L81-S83 VanDerWaalsContact C-N 3.32Å; L81-S83 PolarHBondContact O-N 2.97Å; S83-G86 PolarHBondContact O-N 2.68Å; S83-A87 PolarHBondContact O-N 2.69Å
84H92.9Very high92Very high134 Ų13482.3 Ų82.362%0.6244%0.442SS*.Hα-helixtrans-65-41.2176-76.7-59.5000111.5A80 L81 A87 V88A80-H84 PolarHBondContact O-CD2 3.37Å; A80-H84 PolarHBondContact O-N 3.37Å; L81-H84 PolarHBondContact O-N 2.89Å; H84-A87 PolarHBondContact O-N 3.37Å; H84-V88 WeakPolarHBondContact O-CG2 3.44Å; H84-V88 PolarHBondContact O-N 3.32Å
85L91.5Very high92Very high77 Ų7781.6 Ų81.640%0.40344%0.442SS..Hα-helixtrans-60.5-47.1175.8-17662.5000111.1L81 S82 A87 V88 E89L81-L85 WeakPolarHBondContact O-CB 3.44Å; L81-L85 PolarHBondContact O-N 3.35Å; S82-L85 PolarHBondContact O-N 3.46Å; L85-A87 VanDerWaalsContact C-N 3.32Å; L85-A87 PolarHBondContact O-N 3.37Å; L85-V88 PolarHBondContact O-N 3.26Å; L85-E89 HydrophobicContact CD1-CG 4.42Å; L85-E89 WeakPolarHBondContact O-CB 3.49Å; L85-E89 WeakPolarHBondContact O-CG 3.31Å; L85-E89 PolarHBondContact O-N 3.38Å
86G90Very high92.2Very high29 Ų2988.1 Ų88.130%0.29947%0.465SS..Hα-helixtrans-60.5-38.8176.600000113.3S82 S83 E89 S90S82-G86 PolarHBondContact O-N 2.98Å; S83-G86 PolarHBondContact O-N 2.68Å; G86-E89 PolarHBondContact O-N 2.85Å; G86-S90 WeakPolarHBondContact O-CB 3.25Å; G86-S90 PolarHBondContact O-N 3.04Å
87A90.9Very high92.2Very high48 Ų4884.7 Ų84.740%0.39746%0.456SS..Hα-helixtrans-62.4-49.2174.600000111.5S83 H84 L85 E89 S90 E91S83-A87 PolarHBondContact O-N 2.69Å; H84-A87 PolarHBondContact O-N 3.37Å; L85-A87 VanDerWaalsContact C-N 3.32Å; L85-A87 PolarHBondContact O-N 3.37Å; A87-E89 VanDerWaalsContact C-N 3.33Å; A87-E89 PolarHBondContact O-N 3.06Å; A87-S90 PolarHBondContact O-N 3.32Å; A87-S90 PolarHBondContact O-OG 2.98Å; A87-E91 PolarHBondContact O-N 3.46Å
88V93.8Very high92.2Very high87 Ų8785.4 Ų85.453%0.52745%0.453SS..Hα-helixtrans-62-40.6178.6171.50000111.6H84 L85 E91 K92H84-V88 WeakPolarHBondContact O-CG2 3.44Å; H84-V88 PolarHBondContact O-N 3.32Å; L85-V88 PolarHBondContact O-N 3.26Å; V88-E91 PolarHBondContact O-N 2.61Å; V88-K92 WeakPolarHBondContact O-CB 3.46Å; V88-K92 PolarHBondContact O-N 3.07Å
89E91.8Very high92.4Very high80 Ų8085.9 Ų85.937%0.37446%0.46SS..Hα-helixtrans-64.7-40.2176.3-74.2-178.716500112.2L85 G86 A87 K92 Q93L85-E89 HydrophobicContact CD1-CG 4.42Å; L85-E89 WeakPolarHBondContact O-CB 3.49Å; L85-E89 WeakPolarHBondContact O-CG 3.31Å; L85-E89 PolarHBondContact O-N 3.38Å; G86-E89 PolarHBondContact O-N 2.85Å; A87-E89 VanDerWaalsContact C-N 3.33Å; A87-E89 PolarHBondContact O-N 3.06Å; E89-K92 WeakPolarHBondContact O-CB 3.31Å; E89-K92 PolarHBondContact O-N 3.47Å; E89-Q93 WeakPolarHBondContact O-CG 3.39Å; E89-Q93 PolarHBondContact O-N 3.29Å
90S90.8Very high92.6Very high47 Ų4791.9 Ų91.933%0.32948%0.48SS..Hα-helixtrans-64.1-39.9175.3830000112.1G86 A87 Q93 K94G86-S90 WeakPolarHBondContact O-CB 3.25Å; G86-S90 PolarHBondContact O-N 3.04Å; A87-S90 PolarHBondContact O-N 3.32Å; A87-S90 PolarHBondContact O-OG 2.98Å; S90-Q93 PolarHBondContact O-N 3.01Å; S90-K94 WeakPolarHBondContact O-CG 3.46Å; S90-K94 PolarHBondContact O-N 3.49Å
91E92.3Very high92.8Very high122 Ų12297.6 Ų97.657%0.5749%0.493SS*.Hα-helixtrans-66.5-43.7175.5-72.4-171.7163.700111.5A87 V88 Q93 K94 L95A87-E91 PolarHBondContact O-N 3.46Å; V88-E91 PolarHBondContact O-N 2.61Å; E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 2.84Å; E91-K94 WeakPolarHBondContact O-CB 3.29Å; E91-K94 PolarHBondContact O-N 3.13Å; E91-L95 WeakPolarHBondContact O-CG 3.32Å; E91-L95 PolarHBondContact O-N 3.5Å
92K93.8Very high92.9Very high109 Ų10995.6 Ų95.647%0.47448%0.482SS..Hα-helixtrans-57.2-41.4173.1176.4-177.1174.2-177.30111.7V88 E89 R96V88-K92 WeakPolarHBondContact O-CB 3.46Å; V88-K92 PolarHBondContact O-N 3.07Å; E89-K92 WeakPolarHBondContact O-CB 3.31Å; E89-K92 PolarHBondContact O-N 3.47Å; K92-R96 VanDerWaalsContact CE-CZ 3.45Å; K92-R96 VanDerWaalsContact CE-NH2 3.34Å; K92-R96 WeakPolarHBondContact O-CB 3.26Å; K92-R96 VanDerWaalsContact O-CG 3.3Å; K92-R96 WeakPolarHBondContact O-CG 3.42Å; K92-R96 PolarHBondContact O-N 3.19Å
93Q93.7Very high93.1Very high132 Ų13299 Ų9962%0.61750%0.501SS*.Hα-helixtrans-66.2-42.5176.4-73.9179.78.200112.2E89 S90 E91 R96 A97E89-Q93 WeakPolarHBondContact O-CG 3.39Å; E89-Q93 PolarHBondContact O-N 3.29Å; S90-Q93 PolarHBondContact O-N 3.01Å; E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 2.84Å; Q93-R96 PolarHBondContact O-N 3.48Å; Q93-A97 PolarHBondContact O-N 2.95Å
94K94.1Very high93.4Very high143 Ų143101.8 Ų101.862%0.62251%0.505SS*.Hα-helixtrans-59.8-47.7174.8-71.6169.8-175.3170.50111.8S90 E91 R96 A97 Q98S90-K94 WeakPolarHBondContact O-CG 3.46Å; S90-K94 PolarHBondContact O-N 3.49Å; E91-K94 WeakPolarHBondContact O-CB 3.29Å; E91-K94 PolarHBondContact O-N 3.13Å; K94-R96 VanDerWaalsContact C-N 3.35Å; K94-R96 PolarHBondContact O-N 2.85Å; K94-A97 WeakPolarHBondContact O-CB 3.27Å; K94-A97 PolarHBondContact O-N 3.48Å; K94-A97 VanDerWaalsContact O-N 3.17Å; K94-Q98 PolarHBondContact O-N 3.46Å
95L93.7Very high93.6Very high104 Ų10499.2 Ų99.255%0.54549%0.493SS..Hα-helixtrans-62-41.9177.5-71.5173.6000111.6E91 A97 Q98 V99E91-L95 WeakPolarHBondContact O-CG 3.32Å; E91-L95 PolarHBondContact O-N 3.5Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 3.4Å; L95-Q98 PolarHBondContact O-N 2.93Å; L95-V99 WeakPolarHBondContact O-CG2 2.96Å; L95-V99 PolarHBondContact O-N 3.35Å
96R94.9Very high93.7Very high143 Ų14399.5 Ų99.554%0.5450%0.495SS..Hα-helixtrans-61.1-39.4174.3-78.2175.5170.1-174.9-6.4112.6K92 Q93 K94 R100K92-R96 VanDerWaalsContact CE-CZ 3.45Å; K92-R96 VanDerWaalsContact CE-NH2 3.34Å; K92-R96 WeakPolarHBondContact O-CB 3.26Å; K92-R96 VanDerWaalsContact O-CG 3.3Å; K92-R96 WeakPolarHBondContact O-CG 3.42Å; K92-R96 PolarHBondContact O-N 3.19Å; Q93-R96 PolarHBondContact O-N 3.48Å; K94-R96 VanDerWaalsContact C-N 3.35Å; K94-R96 PolarHBondContact O-N 2.85Å; R96-R100 WeakPolarHBondContact O-CG 3.19Å; R96-R100 PolarHBondContact O-N 2.07Å; R96-R100 VanDerWaalsContact O-N 3.1Å
97A91.9Very high94Very high44 Ų44102.4 Ų102.436%0.36450%0.501SS..Hα-helixtrans-66-42.1175.500000111.7Q93 K94 L95 R100 R101Q93-A97 PolarHBondContact O-N 2.95Å; K94-A97 WeakPolarHBondContact O-CB 3.27Å; K94-A97 PolarHBondContact O-N 3.48Å; K94-A97 VanDerWaalsContact O-N 3.17Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 3.4Å; A97-R100 PolarHBondContact O-N 3.33Å; A97-R101 PolarHBondContact O-N 2.91Å
98Q95.3Very high94.3Very high111 Ų111107.2 Ų107.252%0.51951%0.509SS..Hα-helixtrans-62.9-42.9175.9-171.1176.510.700112.1K94 L95 R100 R101 L102K94-Q98 PolarHBondContact O-N 3.46Å; L95-Q98 PolarHBondContact O-N 2.93Å; Q98-R100 PolarHBondContact O-N 3.5Å; Q98-R101 WeakPolarHBondContact O-CB 3.15Å; Q98-R101 PolarHBondContact O-N 3.05Å; Q98-L102 HydrophobicContact CG-CD1 4.3Å; Q98-L102 WeakPolarHBondContact O-CG 3.2Å; Q98-L102 PolarHBondContact O-N 2.95Å
99V95.1Very high94.4Very high88 Ų88107.7 Ų107.753%0.53351%0.508SS..Hα-helixtrans-60.2-45.8175.5170.20000110.9L95 R101 L102 V103L95-V99 WeakPolarHBondContact O-CG2 2.96Å; L95-V99 PolarHBondContact O-N 3.35Å; V99-R101 VanDerWaalsContact C-N 3.32Å; V99-R101 PolarHBondContact O-N 3.4Å; V99-L102 PolarHBondContact O-N 3.16Å; V99-V103 HydrophobicContact CG1-CG2 4.43Å; V99-V103 WeakPolarHBondContact O-CG2 3.29Å; V99-V103 PolarHBondContact O-N 3.46Å
100R95.1Very high94.6Very high157 Ų157111.9 Ų111.959%0.59252%0.521SS*.Hα-helixtrans-59.3-43.5176.3-74-169.8-61.2-90.13.1112.2R96 A97 Q98 V103 Q104R96-R100 WeakPolarHBondContact O-CG 3.19Å; R96-R100 PolarHBondContact O-N 2.07Å; R96-R100 VanDerWaalsContact O-N 3.1Å; A97-R100 PolarHBondContact O-N 3.33Å; Q98-R100 PolarHBondContact O-N 3.5Å; R100-V103 PolarHBondContact O-N 3.49Å; R100-Q104 PolarHBondContact O-N 3.02Å
101R95.6Very high94.9Very high163 Ų163114.9 Ų114.962%0.61553%0.53SS*.Hα-helixtrans-60.2-48.1176.3-174.9-175.3-179.2164.712.2111.6A97 Q98 V99 V103 Q104 E105A97-R101 PolarHBondContact O-N 2.91Å; Q98-R101 WeakPolarHBondContact O-CB 3.15Å; Q98-R101 PolarHBondContact O-N 3.05Å; V99-R101 VanDerWaalsContact C-N 3.32Å; V99-R101 PolarHBondContact O-N 3.4Å; R101-V103 VanDerWaalsContact C-N 3.31Å; R101-V103 PolarHBondContact O-N 2.88Å; R101-Q104 PolarHBondContact O-N 3.36Å; R101-E105 HydrophobicContact CG-CG 4.49Å; R101-E105 WeakPolarHBondContact CG-OE1 3.24Å; R101-E105 IonicContact CZ-OE1 3.64Å; R101-E105 IonicContact NE-OE1 2.61Å; R101-E105 PolarHBondContact NE-OE1 2.93Å; R101-E105 IonicContact NH2-OE1 3.02Å; R101-E105 WeakPolarHBondContact O-CG 3.44Å; R101-E105 PolarHBondContact O-N 3.46Å
102L92.8Very high95.1Very high80 Ų80113.3 Ų113.342%0.41952%0.522SS..Hα-helixtrans-63.2-37.3178.9-72.9172.6000112.3Q98 V99 Q104 E105 N106Q98-L102 HydrophobicContact CG-CD1 4.3Å; Q98-L102 WeakPolarHBondContact O-CG 3.2Å; Q98-L102 PolarHBondContact O-N 2.95Å; V99-L102 PolarHBondContact O-N 3.16Å; L102-Q104 VanDerWaalsContact C-N 3.35Å; L102-E105 PolarHBondContact O-N 3.17Å; L102-N106 WeakPolarHBondContact O-CB 3.26Å; L102-N106 PolarHBondContact O-N 3.42Å; L102-N106 PolarHBondContact O-ND2 3.43Å
103V96.2Very high95.1Very high95 Ų95112.8 Ų112.858%0.57652%0.524SS*.Hα-helixtrans-63.6-43174.81700000110.7V99 R100 R101 N106 Q107V99-V103 HydrophobicContact CG1-CG2 4.43Å; V99-V103 WeakPolarHBondContact O-CG2 3.29Å; V99-V103 PolarHBondContact O-N 3.46Å; R100-V103 PolarHBondContact O-N 3.49Å; R101-V103 VanDerWaalsContact C-N 3.31Å; R101-V103 PolarHBondContact O-N 2.88Å; V103-N106 PolarHBondContact O-N 2.87Å; V103-Q107 WeakPolarHBondContact O-CB 3.47Å; V103-Q107 PolarHBondContact O-N 3.5Å
104Q96.2Very high95.3Very high144 Ų144109 Ų10967%0.67352%0.515SS*.Hα-helixtrans-66.4-42.5177.4-170.6173.412.100112.3R100 R101 L102 Q107 W108R100-Q104 PolarHBondContact O-N 3.02Å; R101-Q104 PolarHBondContact O-N 3.36Å; L102-Q104 VanDerWaalsContact C-N 3.35Å; Q104-Q107 PolarHBondContact O-N 3.45Å; Q104-W108 PolarHBondContact O-N 2.88Å
105E95.9Very high95.4Very high80 Ų80103.3 Ų103.337%0.37450%0.498SS..Hα-helixtrans-62.9-41.5175-73.5172.5-174.500111.3R101 L102 Q107 W108 L109R101-E105 HydrophobicContact CG-CG 4.49Å; R101-E105 WeakPolarHBondContact CG-OE1 3.24Å; R101-E105 IonicContact CZ-OE1 3.64Å; R101-E105 IonicContact NE-OE1 2.61Å; R101-E105 PolarHBondContact NE-OE1 2.93Å; R101-E105 IonicContact NH2-OE1 3.02Å; R101-E105 WeakPolarHBondContact O-CG 3.44Å; R101-E105 PolarHBondContact O-N 3.46Å; L102-E105 PolarHBondContact O-N 3.17Å; E105-Q107 PolarHBondContact O-N 2.94Å; E105-W108 PolarHBondContact O-N 3.22Å; E105-L109 WeakPolarHBondContact O-CB 3.47Å; E105-L109 VanDerWaalsContact O-CG 3.28Å; E105-L109 WeakPolarHBondContact O-CG 3.3Å; E105-L109 PolarHBondContact O-N 3.1Å
106N95.3Very high95.4Very high83 Ų83101.5 Ų101.544%0.44449%0.491SS..Hα-helixtrans-64.1-39174.7-87.1-80.3000112.6L102 V103 R110L102-N106 WeakPolarHBondContact O-CB 3.26Å; L102-N106 PolarHBondContact O-N 3.42Å; L102-N106 PolarHBondContact O-ND2 3.43Å; V103-N106 PolarHBondContact O-N 2.87Å; N106-R110 VanDerWaalsContact O-CG 3.31Å; N106-R110 WeakPolarHBondContact O-CG 3.44Å; N106-R110 PolarHBondContact O-N 2.91Å
107Q96.3Very high95.5Very high90 Ų90100.1 Ų100.142%0.42149%0.49SS..Hα-helixtrans-63.5-47.4176-178.260.52500110.8V103 Q104 E105 L109 R110 E111V103-Q107 WeakPolarHBondContact O-CB 3.47Å; V103-Q107 PolarHBondContact O-N 3.5Å; Q104-Q107 PolarHBondContact O-N 3.45Å; E105-Q107 PolarHBondContact O-N 2.94Å; Q107-L109 PolarHBondContact O-N 2.83Å; Q107-R110 WeakPolarHBondContact O-CB 3.44Å; Q107-R110 PolarHBondContact O-N 3.38Å; Q107-R110 VanDerWaalsContact O-N 3.17Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.42Å; Q107-E111 PolarHBondContact NE2-OE1 2.7Å; Q107-E111 WeakPolarHBondContact O-CG 3.37Å; Q107-E111 PolarHBondContact O-N 3.4Å
108W96.6Very high95.7Very high149 Ų149102.6 Ų102.656%0.56450%0.495SS*.Hα-helixtrans-60.3-43.5176.9-178.577.1000112.3Q104 E105 R110 E111 E112Q104-W108 PolarHBondContact O-N 2.88Å; E105-W108 PolarHBondContact O-N 3.22Å; W108-R110 VanDerWaalsContact C-N 3.3Å; W108-R110 PolarHBondContact O-N 3.43Å; W108-E111 PolarHBondContact O-N 3.13Å; W108-E112 PolarHBondContact O-N 3.4Å
109L94.8Very high95.8Very high98 Ų98103.9 Ų103.951%0.51350%0.498SS..Hα-helixtrans-62.5-35.4176.3-73.2172.2000112.8E105 Q107 L113E105-L109 WeakPolarHBondContact O-CB 3.47Å; E105-L109 VanDerWaalsContact O-CG 3.28Å; E105-L109 WeakPolarHBondContact O-CG 3.3Å; E105-L109 PolarHBondContact O-N 3.1Å; Q107-L109 PolarHBondContact O-N 2.83Å; L109-L113 VanDerWaalsContact O-CB 3.27Å; L109-L113 WeakPolarHBondContact O-CB 3.13Å; L109-L113 PolarHBondContact O-N 2.68Å
110R96.8Very high95.8Very high168 Ų168104.2 Ų104.263%0.63450%0.497SS*.Hα-helixtrans-68-39.9174.7-74.4172.4178.5171.3-1.1111.9N106 Q107 W108 L113 A114N106-R110 VanDerWaalsContact O-CG 3.31Å; N106-R110 WeakPolarHBondContact O-CG 3.44Å; N106-R110 PolarHBondContact O-N 2.91Å; Q107-R110 WeakPolarHBondContact O-CB 3.44Å; Q107-R110 PolarHBondContact O-N 3.38Å; Q107-R110 VanDerWaalsContact O-N 3.17Å; W108-R110 VanDerWaalsContact C-N 3.3Å; W108-R110 PolarHBondContact O-N 3.43Å; R110-L113 PolarHBondContact O-N 3.02Å; R110-A114 WeakPolarHBondContact O-CB 3.5Å; R110-A114 PolarHBondContact O-N 3.29Å
111E97.1Very high95.9Very high110 Ų110102 Ų10251%0.51449%0.493SS..Hα-helixtrans-65.8-43.4175.8-72.4167.8-167.100111.4Q107 W108 A114 G115Q107-E111 WeakPolarHBondContact CG-OE1 3.42Å; Q107-E111 PolarHBondContact NE2-OE1 2.7Å; Q107-E111 WeakPolarHBondContact O-CG 3.37Å; Q107-E111 PolarHBondContact O-N 3.4Å; W108-E111 PolarHBondContact O-N 3.13Å; E111-A114 PolarHBondContact O-N 3.17Å; E111-G115 PolarHBondContact O-N 2.81Å
112E96.6Very high95.9Very high89 Ų89101.1 Ų101.142%0.41649%0.49SS..Hα-helixtrans-65.4-41.7176.3-167.161.2-150.300111.4W108 A114 G115 T116W108-E112 PolarHBondContact O-N 3.4Å; E112-A114 PolarHBondContact O-N 2.92Å; E112-G115 PolarHBondContact O-N 2.93Å; E112-T116 WeakPolarHBondContact O-CG2 3.32Å; E112-T116 PolarHBondContact O-N 3.04Å; E112-T116 PolarHBondContact O-OG1 3.05Å
113L94.4Very high96Very high97 Ų97100.1 Ų100.151%0.50849%0.489SS..Hα-helixtrans-60.4-45.9173.6-178.265.5000111.3L109 R110 G115 T116 Q117L109-L113 VanDerWaalsContact O-CB 3.27Å; L109-L113 WeakPolarHBondContact O-CB 3.13Å; L109-L113 PolarHBondContact O-N 2.68Å; R110-L113 PolarHBondContact O-N 3.02Å; L113-G115 VanDerWaalsContact C-N 3.31Å; L113-G115 PolarHBondContact O-N 3.49Å; L113-T116 PolarHBondContact O-N 2.99Å; L113-T116 PolarHBondContact O-OG1 2.97Å; L113-Q117 WeakPolarHBondContact O-CB 3.06Å; L113-Q117 VanDerWaalsContact O-CG 3.32Å; L113-Q117 WeakPolarHBondContact O-CG 3.44Å; L113-Q117 PolarHBondContact O-N 3.29Å
114A96.3Very high96Very high52 Ų52100.9 Ų100.943%0.4349%0.487SS..Hα-helixtrans-61.7-39.9175.900000111.8R110 E111 E112 Q117 Q118R110-A114 WeakPolarHBondContact O-CB 3.5Å; R110-A114 PolarHBondContact O-N 3.29Å; E111-A114 PolarHBondContact O-N 3.17Å; E112-A114 PolarHBondContact O-N 2.92Å; A114-Q117 PolarHBondContact O-N 3.05Å; A114-Q118 WeakPolarHBondContact O-CB 3.35Å; A114-Q118 PolarHBondContact O-N 3.36Å
115G97.2Very high96Very high25 Ų2599.2 Ų99.226%0.25848%0.479SS..Hα-helixtrans-63.4-42.317600000113E111 E112 L113 Q118 K119E111-G115 PolarHBondContact O-N 2.81Å; E112-G115 PolarHBondContact O-N 2.93Å; L113-G115 VanDerWaalsContact C-N 3.31Å; L113-G115 PolarHBondContact O-N 3.49Å; G115-Q118 PolarHBondContact O-N 3.34Å; G115-K119 WeakPolarHBondContact O-CG 3.41Å; G115-K119 PolarHBondContact O-N 3.34Å; G115-K119 VanDerWaalsContact O-N 3.1Å
116T93.8Very high96.1Very high65 Ų6597.4 Ų97.440%0.39948%0.478SS..Hα-helixtrans-68.1-39.9175.757.20000112.3E112 L113 Q118 K119 L120E112-T116 WeakPolarHBondContact O-CG2 3.32Å; E112-T116 PolarHBondContact O-N 3.04Å; E112-T116 PolarHBondContact O-OG1 3.05Å; L113-T116 PolarHBondContact O-N 2.99Å; L113-T116 PolarHBondContact O-OG1 2.97Å; T116-Q118 PolarHBondContact O-N 3.17Å; T116-K119 PolarHBondContact O-N 2.94Å; T116-L120 PolarHBondContact O-N 3.19Å
117Q96Very high96.1Very high114 Ų11497.1 Ų97.153%0.53348%0.479SS..Hα-helixtrans-61.8-41.9174.1-74.7175.6-15.100112L113 A114 K119 L120 Q121L113-Q117 WeakPolarHBondContact O-CB 3.06Å; L113-Q117 VanDerWaalsContact O-CG 3.32Å; L113-Q117 WeakPolarHBondContact O-CG 3.44Å; L113-Q117 PolarHBondContact O-N 3.29Å; A114-Q117 PolarHBondContact O-N 3.05Å; Q117-K119 PolarHBondContact O-N 3.32Å; Q117-L120 PolarHBondContact O-N 3.22Å; Q117-Q121 WeakPolarHBondContact O-CB 3.46Å; Q117-Q121 PolarHBondContact O-N 3.11Å
118Q97.6Very high96Very high97 Ų9794.9 Ų94.945%0.45348%0.476SS..Hα-helixtrans-64.5-39.8176.3-170.6-179.633.700112A114 G115 T116 Q121 R122A114-Q118 WeakPolarHBondContact O-CB 3.35Å; A114-Q118 PolarHBondContact O-N 3.36Å; G115-Q118 PolarHBondContact O-N 3.34Å; T116-Q118 PolarHBondContact O-N 3.17Å; Q118-Q121 PolarHBondContact O-N 3.48Å; Q118-R122 WeakPolarHBondContact O-CG 3.49Å; Q118-R122 PolarHBondContact O-N 3.43Å
119K96.3Very high96Very high137 Ų13793.5 Ų93.560%0.59648%0.476SS*.Hα-helixtrans-64.3-42.1175.2-72.6172.8-176.6173.30111.5G115 T116 Q117 R122 S123G115-K119 WeakPolarHBondContact O-CG 3.41Å; G115-K119 PolarHBondContact O-N 3.34Å; G115-K119 VanDerWaalsContact O-N 3.1Å; T116-K119 PolarHBondContact O-N 2.94Å; Q117-K119 PolarHBondContact O-N 3.32Å; K119-R122 PolarHBondContact O-N 3.23Å; K119-S123 PolarHBondContact O-N 3.49Å; K119-S123 PolarHBondContact O-OG 3.09Å
120L95Very high96Very high96 Ų9694 Ų9450%0.50348%0.478SS..Hα-helixtrans-59.9-50.3175.1179.663.6000110.7T116 Q117 R122 S123 E124T116-L120 PolarHBondContact O-N 3.19Å; Q117-L120 PolarHBondContact O-N 3.22Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.13Å; L120-S123 WeakPolarHBondContact CA-OG 3.44Å; L120-S123 CarbonylContact O-C 3.6Å; L120-S123 WeakPolarHBondContact O-CA 2.96Å; L120-S123 PolarHBondContact O-N 3.2Å; L120-S123 PolarHBondContact O-OG 2.87Å; L120-E124 HydrophobicContact CD1-CG 4.36Å; L120-E124 HydrophobicContact CG-CG 4.44Å; L120-E124 WeakPolarHBondContact O-CG 3.31Å; L120-E124 PolarHBondContact O-N 2.62Å
121Q96.6Very high95.9Very high110 Ų11091.4 Ų91.451%0.51447%0.473SS..Hα-helixtrans-58.4-40.6178.6-170.8179.719.600112.3Q117 Q118 E124 Q125Q117-Q121 WeakPolarHBondContact O-CB 3.46Å; Q117-Q121 PolarHBondContact O-N 3.11Å; Q118-Q121 PolarHBondContact O-N 3.48Å; Q121-E124 PolarHBondContact O-N 3.46Å; Q121-Q125 VanDerWaalsContact O-CG 3.3Å; Q121-Q125 WeakPolarHBondContact O-CG 3.45Å; Q121-Q125 PolarHBondContact O-N 3.03Å
122R96.3Very high95.9Very high144 Ų14492.5 Ų92.554%0.54348%0.479SS..Hα-helixtrans-64.8-39.8174.4-73.5178.2-173.7160.84.3112.3Q118 K119 L120 Q125 A126Q118-R122 WeakPolarHBondContact O-CG 3.49Å; Q118-R122 PolarHBondContact O-N 3.43Å; K119-R122 PolarHBondContact O-N 3.23Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.13Å; R122-Q125 PolarHBondContact O-N 3.42Å; R122-A126 WeakPolarHBondContact O-CB 3.48Å; R122-A126 PolarHBondContact O-N 3.46Å
123S95.1Very high95.8Very high59 Ų5993.8 Ų93.841%0.41349%0.485SS..Hα-helixtrans-67.5-38.3176.468.40000112.1K119 L120 A126 V127K119-S123 PolarHBondContact O-N 3.49Å; K119-S123 PolarHBondContact O-OG 3.09Å; L120-S123 WeakPolarHBondContact CA-OG 3.44Å; L120-S123 CarbonylContact O-C 3.6Å; L120-S123 WeakPolarHBondContact O-CA 2.96Å; L120-S123 PolarHBondContact O-N 3.2Å; L120-S123 PolarHBondContact O-OG 2.87Å; S123-A126 PolarHBondContact O-N 3.25Å; S123-V127 WeakPolarHBondContact O-CG2 3.14Å; S123-V127 PolarHBondContact O-N 3.19Å
124E96.1Very high95.8Very high111 Ų11195.6 Ų95.652%0.51949%0.488SS..Hα-helixtrans-64.1-42.5174.9-71.3172.4167.700111.3L120 Q121 A126 V127 A128L120-E124 HydrophobicContact CD1-CG 4.36Å; L120-E124 HydrophobicContact CG-CG 4.44Å; L120-E124 WeakPolarHBondContact O-CG 3.31Å; L120-E124 PolarHBondContact O-N 2.62Å; Q121-E124 PolarHBondContact O-N 3.46Å; E124-A126 PolarHBondContact O-N 3.33Å; E124-V127 PolarHBondContact O-N 3.01Å; E124-A128 PolarHBondContact O-N 3.49Å
125Q96.6Very high95.8Very high109 Ų10999.5 Ų99.551%0.50950%0.498SS..Hα-helixtrans-61.4-42.4173.5-74.1173.1-7.200112.1Q121 R122 A128 Q129Q121-Q125 VanDerWaalsContact O-CG 3.3Å; Q121-Q125 WeakPolarHBondContact O-CG 3.45Å; Q121-Q125 PolarHBondContact O-N 3.03Å; R122-Q125 PolarHBondContact O-N 3.42Å; Q125-A128 PolarHBondContact O-N 3.48Å; Q125-Q129 WeakPolarHBondContact O-CG 3.33Å; Q125-Q129 PolarHBondContact O-N 3.02Å
126A96.4Very high95.6Very high43 Ų43103.8 Ų103.836%0.35551%0.511SS..Hα-helixtrans-64.9-38.9176.600000112.1R122 S123 E124 Q129 L130R122-A126 WeakPolarHBondContact O-CB 3.48Å; R122-A126 PolarHBondContact O-N 3.46Å; S123-A126 PolarHBondContact O-N 3.25Å; E124-A126 PolarHBondContact O-N 3.33Å; A126-Q129 PolarHBondContact O-N 3.25Å; A126-L130 WeakPolarHBondContact O-CG 3.48Å; A126-L130 PolarHBondContact O-N 3.4Å
127V95.9Very high95.6Very high76 Ų76106 Ų10646%0.46152%0.519SS..Hα-helixtrans-64.6-44.2175.1170.40000110.9S123 E124 Q129 L130 E131S123-V127 WeakPolarHBondContact O-CG2 3.14Å; S123-V127 PolarHBondContact O-N 3.19Å; E124-V127 PolarHBondContact O-N 3.01Å; V127-Q129 VanDerWaalsContact C-N 3.32Å; V127-Q129 PolarHBondContact O-N 3.18Å; V127-L130 PolarHBondContact O-N 3.3Å; V127-E131 HydrophobicContact CG1-CG 4.41Å; V127-E131 WeakPolarHBondContact O-CG 3.43Å; V127-E131 PolarHBondContact O-N 2.72Å
128A95.4Very high95.4Very high44 Ų44104.9 Ų104.936%0.36452%0.517SS..Hα-helixtrans-59.4-42.7176.500000111.9E124 Q125 E131 E132E124-A128 PolarHBondContact O-N 3.49Å; Q125-A128 PolarHBondContact O-N 3.48Å; A128-E131 PolarHBondContact O-N 3.08Å; A128-E132 WeakPolarHBondContact O-CG 3.38Å; A128-E132 PolarHBondContact O-N 3.07Å
129Q95.4Very high95.2Very high120 Ų120105.7 Ų105.756%0.56152%0.519SS*.Hα-helixtrans-60.7-45.3174.7-73.4175.6-13.200112.2Q125 A126 V127 E131 E132 E133Q125-Q129 WeakPolarHBondContact O-CG 3.33Å; Q125-Q129 PolarHBondContact O-N 3.02Å; A126-Q129 PolarHBondContact O-N 3.25Å; V127-Q129 VanDerWaalsContact C-N 3.32Å; V127-Q129 PolarHBondContact O-N 3.18Å; Q129-E131 VanDerWaalsContact C-N 3.29Å; Q129-E131 PolarHBondContact O-N 2.85Å; Q129-E132 PolarHBondContact O-N 3.03Å; Q129-E133 WeakPolarHBondContact O-CG 3.17Å; Q129-E133 PolarHBondContact O-N 3.43Å
130L95.1Very high94.9Very high107 Ų107102.9 Ų102.956%0.5651%0.509SS*.Hα-helixtrans-65-33.7177.1-71171.9000112.4A126 V127 K134A126-L130 WeakPolarHBondContact O-CG 3.48Å; A126-L130 PolarHBondContact O-N 3.4Å; V127-L130 PolarHBondContact O-N 3.3Å; L130-K134 VanDerWaalsContact O-CB 3.26Å; L130-K134 WeakPolarHBondContact O-CB 3.29Å; L130-K134 PolarHBondContact O-N 3.48Å
131E94.9Very high94.5Very high114 Ų114100.3 Ų100.353%0.53350%0.499SS..Hα-helixtrans-66.6-42173.9-75-179.6168.200111.7V127 A128 Q129 K134 Q135V127-E131 HydrophobicContact CG1-CG 4.41Å; V127-E131 WeakPolarHBondContact O-CG 3.43Å; V127-E131 PolarHBondContact O-N 2.72Å; A128-E131 PolarHBondContact O-N 3.08Å; Q129-E131 VanDerWaalsContact C-N 3.29Å; Q129-E131 PolarHBondContact O-N 2.85Å; E131-K134 PolarHBondContact O-N 3.42Å; E131-Q135 WeakPolarHBondContact O-CG 3.36Å; E131-Q135 PolarHBondContact O-N 2.97Å
132E96.3Very high94Very high134 Ų134100.6 Ų100.663%0.62650%0.5SS*.Hα-helixtrans-62.5-47173.4-71.8178.1179.500111.6A128 Q129 K134 Q135 H136A128-E132 WeakPolarHBondContact O-CG 3.38Å; A128-E132 PolarHBondContact O-N 3.07Å; Q129-E132 PolarHBondContact O-N 3.03Å; E132-K134 VanDerWaalsContact C-N 3.32Å; E132-K134 PolarHBondContact O-N 3.35Å; E132-Q135 PolarHBondContact O-N 3.44Å; E132-Q135 VanDerWaalsContact O-N 3.16Å; E132-H136 WeakPolarHBondContact O-CB 3.29Å; E132-H136 PolarHBondContact O-N 3.3Å
133E94.7Very high93.4Very high116 Ų11696.7 Ų96.754%0.54249%0.49SS..Hα-helixtrans-59.3-43.1175.9-74.2178.6-176.800111.7Q129 H136 L137Q129-E133 WeakPolarHBondContact O-CG 3.17Å; Q129-E133 PolarHBondContact O-N 3.43Å; E133-H136 PolarHBondContact O-N 3.21Å; E133-L137 WeakPolarHBondContact O-CB 3.35Å; E133-L137 VanDerWaalsContact O-CG 3.31Å; E133-L137 WeakPolarHBondContact O-CG 3.39Å; E133-L137 PolarHBondContact O-N 3.45Å
134K95.6Very high92.7Very high135 Ų135101.2 Ų101.259%0.58750%0.498SS*.Hα-helixtrans-61-45.5174.6178.1-172171.4-174.10111.2L130 E131 E132 H136 L137 L138L130-K134 VanDerWaalsContact O-CB 3.26Å; L130-K134 WeakPolarHBondContact O-CB 3.29Å; L130-K134 PolarHBondContact O-N 3.48Å; E131-K134 PolarHBondContact O-N 3.42Å; E132-K134 VanDerWaalsContact C-N 3.32Å; E132-K134 PolarHBondContact O-N 3.35Å; K134-H136 VanDerWaalsContact C-N 3.33Å; K134-L137 PolarHBondContact O-N 3.47Å; K134-L138 HydrophobicContact CG-CD1 4.18Å; K134-L138 WeakPolarHBondContact O-CB 3.27Å; K134-L138 VanDerWaalsContact O-CG 3.3Å; K134-L138 WeakPolarHBondContact O-CG 3.38Å; K134-L138 PolarHBondContact O-N 2.9Å
135Q95.1Very high91.7Very high134 Ų134101.6 Ų101.663%0.62650%0.498SS*.Hα-helixtrans-61.5-43.1177.2-75-177.65.400111.3E131 E132 L138 F139E131-Q135 WeakPolarHBondContact O-CG 3.36Å; E131-Q135 PolarHBondContact O-N 2.97Å; E132-Q135 PolarHBondContact O-N 3.44Å; E132-Q135 VanDerWaalsContact O-N 3.16Å; Q135-L138 PolarHBondContact O-N 3.35Å; Q135-F139 WeakPolarHBondContact O-CB 3.3Å; Q135-F139 PolarHBondContact O-N 2.67Å
136H93.8Very high90.5Very high114 Ų114101.8 Ų101.853%0.52850%0.501SS..Hα-helixtrans-61.4-44.8175.5-178.3-92.6000111.9E132 E133 K134 L138 F139 M140E132-H136 WeakPolarHBondContact O-CB 3.29Å; E132-H136 PolarHBondContact O-N 3.3Å; E133-H136 PolarHBondContact O-N 3.21Å; K134-H136 VanDerWaalsContact C-N 3.33Å; H136-L138 PolarHBondContact O-N 2.99Å; H136-F139 WeakPolarHBondContact O-CB 3.35Å; H136-F139 PolarHBondContact O-N 2.88Å; H136-M140 VanDerWaalsContact O-CG 3.31Å; H136-M140 WeakPolarHBondContact O-CG 3.34Å; H136-M140 PolarHBondContact O-N 3.45Å
137L93.4Very high89Confident111 Ų111104.4 Ų104.458%0.58151%0.509SS*.Hα-helixtrans-63.6-40.2176.6-73.4173.1000112.5E133 K134 M140 S141E133-L137 WeakPolarHBondContact O-CB 3.35Å; E133-L137 VanDerWaalsContact O-CG 3.31Å; E133-L137 WeakPolarHBondContact O-CG 3.39Å; E133-L137 PolarHBondContact O-N 3.45Å; K134-L137 PolarHBondContact O-N 3.47Å; L137-M140 PolarHBondContact O-N 3.19Å; L137-S141 WeakPolarHBondContact O-CB 3.45Å; L137-S141 PolarHBondContact O-N 3.09Å
138L92.8Very high87.2Confident91 Ų91107.9 Ų107.948%0.47652%0.521SS..Hα-helixtrans-64.2-42174.6-73.4173.2000111.4K134 Q135 H136 S141 Q142K134-L138 HydrophobicContact CG-CD1 4.18Å; K134-L138 WeakPolarHBondContact O-CB 3.27Å; K134-L138 VanDerWaalsContact O-CG 3.3Å; K134-L138 WeakPolarHBondContact O-CG 3.38Å; K134-L138 PolarHBondContact O-N 2.9Å; Q135-L138 PolarHBondContact O-N 3.35Å; H136-L138 PolarHBondContact O-N 2.99Å; L138-S141 WeakPolarHBondContact O-CB 3.35Å; L138-S141 PolarHBondContact O-N 2.95Å; L138-Q142 WeakPolarHBondContact O-CG 3.35Å; L138-Q142 PolarHBondContact O-N 3.37Å
139F92.3Very high85.2Confident115 Ų115112.4 Ų112.450%0.50454%0.539SS..Hα-helixtrans-61.5-47.4174.5178.9-106.2000111.8Q135 H136 S141 Q142 I143Q135-F139 WeakPolarHBondContact O-CB 3.3Å; Q135-F139 PolarHBondContact O-N 2.67Å; H136-F139 WeakPolarHBondContact O-CB 3.35Å; H136-F139 PolarHBondContact O-N 2.88Å; F139-S141 VanDerWaalsContact C-N 3.25Å; F139-S141 PolarHBondContact O-N 3.06Å; F139-Q142 WeakPolarHBondContact O-CB 3.27Å; F139-Q142 PolarHBondContact O-N 3.27Å; F139-I143 HydrophobicContact CD1-CD1 3.99Å; F139-I143 HydrophobicContact CE1-CD1 3.35Å; F139-I143 HydrophobicContact CE1-CG1 4.26Å; F139-I143 HydrophobicContact CE2-CD1 4.32Å; F139-I143 HydrophobicContact CZ-CD1 3.56Å; F139-I143 HydrophobicContact CZ-CG1 4.2Å; F139-I143 PolarHBondContact O-N 3.04Å
140M89.4Confident83.1Confident77 Ų77111.7 Ų111.738%0.37954%0.543SS..Hα-helixtrans-62.1-31174.7-70.3-64.1-69.600113H136 L137 R144H136-M140 VanDerWaalsContact O-CG 3.31Å; H136-M140 WeakPolarHBondContact O-CG 3.34Å; H136-M140 PolarHBondContact O-N 3.45Å; L137-M140 PolarHBondContact O-N 3.19Å; M140-R144 PolarHBondContact O-N 3.2Å; M140-R144 PolarHBondContact O-NE 3.17Å
141S87.5Confident80.5Confident43 Ų43111 Ų11130%0.30155%0.547SS..Hα-helixtrans-70.6-38.8171.8-179.50000112L137 L138 F139 R144 K145L137-S141 WeakPolarHBondContact O-CB 3.45Å; L137-S141 PolarHBondContact O-N 3.09Å; L138-S141 WeakPolarHBondContact O-CB 3.35Å; L138-S141 PolarHBondContact O-N 2.95Å; F139-S141 VanDerWaalsContact C-N 3.25Å; F139-S141 PolarHBondContact O-N 3.06Å; S141-R144 PolarHBondContact O-N 3.19Å; S141-K145 WeakPolarHBondContact O-CG 3.38Å; S141-K145 PolarHBondContact O-N 2.92Å; S141-K145 VanDerWaalsContact O-N 3.13Å
142Q86.1Confident78.1Confident116 Ų116111.3 Ų111.354%0.54256%0.559SS.*Hα-helixtrans-66.5-41.3176.3-72173.21600111.9L138 F139 K145 L146L138-Q142 WeakPolarHBondContact O-CG 3.35Å; L138-Q142 PolarHBondContact O-N 3.37Å; F139-Q142 WeakPolarHBondContact O-CB 3.27Å; F139-Q142 PolarHBondContact O-N 3.27Å; Q142-K145 PolarHBondContact O-N 3.18Å; Q142-L146 WeakPolarHBondContact O-CG 3.46Å; Q142-L146 PolarHBondContact O-N 2.67Å; Q142-L146 VanDerWaalsContact O-N 3.08Å
143I83.9Confident75.3Confident62 Ų62112.5 Ų112.532%0.31857%0.57SS.*Hα-helixtrans-59.8-48.7173.2-69.3-179.2000110.6F139 K145 L146 D147F139-I143 HydrophobicContact CD1-CD1 3.99Å; F139-I143 HydrophobicContact CE1-CD1 3.35Å; F139-I143 HydrophobicContact CE1-CG1 4.26Å; F139-I143 HydrophobicContact CE2-CD1 4.32Å; F139-I143 HydrophobicContact CZ-CD1 3.56Å; F139-I143 HydrophobicContact CZ-CG1 4.2Å; F139-I143 PolarHBondContact O-N 3.04Å; I143-K145 VanDerWaalsContact C-N 3.25Å; I143-K145 PolarHBondContact O-N 3.2Å; I143-L146 WeakPolarHBondContact O-CB 3.48Å; I143-L146 PolarHBondContact O-N 2.88Å; I143-D147 PolarHBondContact O-N 2.75Å
144R80.2Confident72.6Confident153 Ų153115.9 Ų115.958%0.57759%0.585SS**Hα-helixtrans-56.7-38.2178.1-85.6-176.8-76.4-158.6-0.7113.4M140 S141 D147 E148M140-R144 PolarHBondContact O-N 3.2Å; M140-R144 PolarHBondContact O-NE 3.17Å; S141-R144 PolarHBondContact O-N 3.19Å; R144-D147 PolarHBondContact O-N 2.92Å; R144-E148 PolarHBondContact O-N 3.01Å
145K75.1Confident70Confident120 Ų120116.6 Ų116.652%0.52259%0.591SS.*Hα-helixtrans-66.4-39.6175.5-70.8174.5-177.7-175.40112.1S141 Q142 I143 E148 D149S141-K145 WeakPolarHBondContact O-CG 3.38Å; S141-K145 PolarHBondContact O-N 2.92Å; S141-K145 VanDerWaalsContact O-N 3.13Å; Q142-K145 PolarHBondContact O-N 3.18Å; I143-K145 VanDerWaalsContact C-N 3.25Å; I143-K145 PolarHBondContact O-N 3.2Å; K145-E148 PolarHBondContact O-N 2.73Å; K145-D149 PolarHBondContact O-N 3.4Å
146L70.7Confident67.2Low112 Ų112119.2 Ų119.259%0.58660%0.6SS**Hα-helixtrans-68.2-34.7175.9-69.4166.1000112.2Q142 I143 D149 T150Q142-L146 WeakPolarHBondContact O-CG 3.46Å; Q142-L146 PolarHBondContact O-N 2.67Å; Q142-L146 VanDerWaalsContact O-N 3.08Å; I143-L146 WeakPolarHBondContact O-CB 3.48Å; I143-L146 PolarHBondContact O-N 2.88Å; L146-D149 PolarHBondContact O-N 2.97Å; L146-T150 PolarHBondContact O-N 3.43Å; L146-T150 VanDerWaalsContact O-N 3.14Å; L146-T150 PolarHBondContact O-OG1 3.28Å
147D65.8Low64.2Low98 Ų98117.5 Ų117.552%0.52461%0.613SS.*Hα-helixtrans-69.6-35.8173.5-73.3-20.2000112.1I143 R144 T150I143-D147 PolarHBondContact O-N 2.75Å; R144-D147 PolarHBondContact O-N 2.92Å; D147-T150 WeakPolarHBondContact CA-OG1 3.36Å; D147-T150 PolarHBondContact O-N 2.81Å; D147-T150 PolarHBondContact O-OG1 3.46Å
148E57.9Low61.3Low150 Ų150120.2 Ų120.270%0.70163%0.628SS**Hα-helixtrans-64.1-40169.8-82.9-179156.600111.7R144 K145 T150R144-E148 PolarHBondContact O-N 3.01Å; K145-E148 PolarHBondContact O-N 2.73Å; E148-T150 VanDerWaalsContact C-N 3.29Å; E148-T150 PolarHBondContact O-N 3.36Å
149D53.6Low58.8Low139 Ų139122 Ų12274%0.74364%0.642SS**Hα-helixtrans-75.2-12179-72.8-29000113.7K145 L146K145-D149 PolarHBondContact O-N 3.4Å; L146-D149 PolarHBondContact O-N 2.97Å
150T51.4Low56.4Low104 Ų104122.3 Ų122.364%0.63866%0.656SS**THydrogen-bonded Turntrans-99.22.1179.228.70000115L146 D147 E148L146-T150 PolarHBondContact O-N 3.43Å; L146-T150 VanDerWaalsContact O-N 3.14Å; L146-T150 PolarHBondContact O-OG1 3.28Å; D147-T150 WeakPolarHBondContact CA-OG1 3.36Å; D147-T150 PolarHBondContact O-N 2.81Å; D147-T150 PolarHBondContact O-OG1 3.46Å; E148-T150 VanDerWaalsContact C-N 3.29Å; E148-T150 PolarHBondContact O-N 3.36Å
151S41.4Very low54.1Low92 Ų92127.5 Ų127.564%0.64368%0.677SS**SBendtrans-92.5116.2169.8-710000111N153S151-N153 PolarHBondContact O-N 3.21Å
152P42.9Very low51.4Low122 Ų122132 Ų13279%0.79270%0.698SS**  trans-71119.1174.529.1-30.9000109.4E154P152-E154 PolarHBondContact O-N 3.14Å
153N38.1Very low48.7Very low159 Ų159132 Ų13285%0.8571%0.705SS**  trans-57110.9172.5-168.632.2000110.6S151S151-N153 PolarHBondContact O-N 3.21Å
154E37.3Very low46.4Very low187 Ų187137.3 Ų137.387%0.87473%0.734SS**  trans-104.1146.7158-79.4-152.5163.500110.7P152P152-E154 PolarHBondContact O-N 3.14Å
155E41.1Very low44Very low150 Ų150137 Ų13770%0.70174%0.743SS**  trans-71.6162.5-157.2-65.2-175.6146.400117.5
156K36.3Very low42.1Very low189 Ų189137.6 Ų137.682%0.82275%0.752SS**  trans78.6132.2140.1-85.1162.5-176147.90120
157G30.4Very low40.2Very low78 Ų78139.6 Ų139.680%0.80476%0.763SS**  trans161.1111.3147.900000115
158D33Very low38.5Very low167 Ų167143.6 Ų143.689%0.89378%0.776SS**  trans-58.3158.4173.7-105.7-42000115.5
159V41.4Very low37.3Very low128 Ų128142.1 Ų142.178%0.77678%0.779SS**  trans-58.3160.6176-128.40000113.8
160P42Very low36.3Very low122 Ų122143.1 Ų143.179%0.79278%0.784SS**  -152.9176.866.636.5-12.3000118
161K41.1Very low35.2Very low186 Ų186147.3 Ų147.381%0.80980%0.797SS**  trans-37.9143.1169.4-76.7171.1165.5176.60115.9
162D30.9Very low34.7Very low139 Ų139150.5 Ų150.574%0.74381%0.807SS**  177.8141.9107.1-102.3-17.8000115.1
163T28.4Very low34Very low114 Ų114153.3 Ų153.370%0.69981%0.809SS**  trans56.5103.6143.459.70000121.9
164L36.4Very low34Very low175 Ų175153.8 Ų153.892%0.91681%0.807SS**  trans-165.872.6131.8-141.378.6000107.9
165D29.6Very low33.4Very low145 Ų145150.6 Ų150.678%0.77581%0.805SS**  30109.599.4-111.55.8000116.6
166D34.7Very low32.9Very low134 Ų134149 Ų14972%0.71781%0.807SS**  9189.1119.7-136.216000119.1
167L31.4Very low32.4Very low154 Ų154144.2 Ų144.281%0.80680%0.803SS**SBendtrans-149.483.6144.1-75.6-174.1000111.2
168F29Very low32.2Very low181 Ų181146.5 Ų146.579%0.79480%0.804SS**  trans93142.7147.6-62.9-73.6000121.4
169P32.1Very low31.9Very low119 Ų119143.7 Ų143.777%0.77380%0.797SS**  trans-114.2166.5-143.410.615.7000114.4
170N33.9Very low31.7Very low160 Ų160143.8 Ų143.886%0.85680%0.801SS**  trans-53.4137.4174-66.7-35.9000114.2
171E27.8Very low30.7Very low193 Ų193141.7 Ų141.790%0.90280%0.801SS**  trans-143.4135.7135.7-73.5-161.3134.600109.7
172D31.7Very low30.2Very low158 Ų158137.1 Ų137.185%0.84581%0.806SS**  trans-54.5132.7165.9-64.8-70000111.2
173E28.4Very low29.8Very low181 Ų181134.1 Ų134.185%0.84681%0.808SS**  trans176.3130.1139.2-103.7-173.8160.500112.2
174Q37.5Very low29.6Very low170 Ų170136.1 Ų136.179%0.79482%0.815SS**  trans47.695.6133.8-139.973.325.800119P176Q174-P176 WeakPolarHBondContact O-CD 3.25Å
175S25Very low29.3Very low119 Ų119135 Ų13583%0.83282%0.815SS**PPolyproline II helixtrans-83.7124.5161-59.90000111.4
176P30.5Very low29.2Very low116 Ų116133.2 Ų133.275%0.75381%0.814SS**PPolyproline II helixtrans-87.4164.5177.935.6-32.9000112.5Q174Q174-P176 WeakPolarHBondContact O-CD 3.25Å
177A24.7Very low28.7Very low89 Ų89129.5 Ų129.574%0.73681%0.807SS**PPolyproline II helixtrans-62.5166175.200000113.9
178P27.1Very low28.5Very low127 Ų127131.6 Ų131.683%0.82581%0.813SS**  trans-128.8124.4131.233.4-20.9000112
179S25.7Very low28.7Very low107 Ų107131.1 Ų131.175%0.74881%0.813SS**  trans-80.8166.2145.5-57.70000107.5
180P36.8Very low28.8Very low131 Ų131126.9 Ų126.985%0.85179%0.791SS**  cis-148.5169.731.838.2-15.9000116.7
181G21.8Very low29.1Very low77 Ų77121.4 Ų121.479%0.79477%0.772SS**  trans176.895.2165.600000112.5
182G29.9Very low30.6Very low90 Ų90116.1 Ų116.193%0.92875%0.745SS**  trans-63.5142.2-172.300000115.1
183G23.2Very low32Very low76 Ų76117.5 Ų117.578%0.78475%0.746SS**  trans-151112.9166.900000108.8
184D24.1Very low34.1Very low156 Ų156111 Ų11183%0.83472%0.717SS**  trans1.4117.9174.4-88.9-42.8000120.1S186D184-S186 PolarHBondContact O-N 3.47Å
185V30.8Very low36.1Very low151 Ų151104.5 Ų104.592%0.91569%0.689SS**  trans-69.693.3158.6-179.90000108.5
186S26.4Very low38.6Very low108 Ų108102.5 Ų102.576%0.75568%0.68SS**  trans-108.1105.4163540000109.8D184 Q188D184-S186 PolarHBondContact O-N 3.47Å; S186-Q188 PolarHBondContact O-N 3.3Å
187G26.1Very low40.8Very low57 Ų57104 Ų10459%0.58867%0.67SS**  trans13.496.2169.400000119.1H189G187-H189 PolarHBondContact O-N 2.85Å; G187-H189 PolarHBondContact O-ND1 3.43Å
188Q27.2Very low43.4Very low197 Ų197100.1 Ų100.192%0.92164%0.637SS**  trans-50.2100.6160.9-78.8175.7-6.200110.8S186S186-Q188 PolarHBondContact O-N 3.3Å
189H31.3Very low46.1Very low171 Ų171101.3 Ų101.379%0.79263%0.625SS**  trans-86108.7160.3-81.569.6000107.3G187 G191G187-H189 PolarHBondContact O-N 2.85Å; G187-H189 PolarHBondContact O-ND1 3.43Å; H189-G191 PolarHBondContact O-N 3.49Å
190G34.6Very low49Very low30 Ų30101.4 Ų101.431%0.30962%0.622SS.*THydrogen-bonded Turntrans-50.9121.6-176.500000114Y192G190-Y192 WeakPolarHBondContact O-CD2 3.45Å; G190-Y192 PolarHBondContact O-N 3.13Å
191G40.8Very low51.3Low45 Ų4596.7 Ų96.746%0.46459%0.589SS.*THydrogen-bonded Turntrans71.910.815500000118.7H189H189-G191 PolarHBondContact O-N 3.49Å
192Y59.5Low54.3Low83 Ų8394.2 Ų94.233%0.32556%0.557SS.*  trans-113.182.2175.7-74.6-86.6000110.8G190 I194 A283 N287G190-Y192 WeakPolarHBondContact O-CD2 3.45Å; G190-Y192 PolarHBondContact O-N 3.13Å; Y192-I194 PolarHBondContact O-N 3.27Å; Y192-A283 HydrophobicContact CD2-CB 4.43Å; Y192-A283 HydrophobicContact CE1-CB 4.13Å; Y192-A283 HydrophobicContact CE2-CB 3.54Å; Y192-A283 WeakPolarHBondContact OH-CB 3.29Å; Y192-A283 PolarHBondContact OH-O 3.11Å; Y192-N287 PolarHBondContact OH-ND2 3.4Å
193E59.8Low57Low187 Ų18794.2 Ų94.287%0.87454%0.536SS*.  trans-82.3109.4167-71.4-177.8-17300108.7
194I73.8Confident60.2Low45 Ų4593.4 Ų93.423%0.23151%0.513CS..  trans-87122.3174.8-57.4176.9000107.1Y192 A196 L198 H202 T241Y192-I194 PolarHBondContact O-N 3.27Å; I194-A196 PolarHBondContact O-N 3.21Å; I194-L198 HydrophobicContact CG2-CB 4.06Å; I194-H202 WeakPolarHBondContact CD1-CD2 3.43Å; I194-H202 VanDerWaalsContact CD1-CE1 3.42Å; I194-H202 WeakPolarHBondContact CD1-CE1 3.39Å; I194-H202 WeakPolarHBondContact CD1-NE2 3.13Å; I194-H202 HydrophobicContact CG2-CB 4.25Å; I194-T241 HydrophobicContact CG1-CG2 4.46Å; I194-T241 HydrophobicContact CG2-CG2 4.34Å
195P78.1Confident63.3Low32 Ų3286 Ų8621%0.20847%0.474CS..  trans-52141.4179.6-27.334000112R197 L198 R199 D238P195-R197 HydrophobicContact CB-CG 4.33Å; P195-R197 PolarHBondContact O-N 2.87Å; P195-R197 VanDerWaalsContact O-N 3.12Å; P195-L198 HydrophobicContact CG-CD1 4.31Å; P195-L198 PolarHBondContact O-N 3.36Å; P195-R199 PolarHBondContact O-N 2.93Å; P195-R199 VanDerWaalsContact O-N 3.12Å; P195-D238 WeakPolarHBondContact CG-OD1 3.37Å
196A77.9Confident65.9Low78 Ų7882.9 Ų82.965%0.64545%0.451SS*.Hα-helixtrans-54.1-38.3-175.100000112.9I194 L198 R199I194-A196 PolarHBondContact O-N 3.21Å; A196-L198 VanDerWaalsContact C-N 3.29Å; A196-L198 PolarHBondContact O-N 3.22Å; A196-R199 WeakPolarHBondContact O-CB 3.47Å; A196-R199 PolarHBondContact O-N 2.73Å
197R77.1Confident69Low146 Ų14682.5 Ų82.555%0.55144%0.437SS*.Hα-helixtrans-64.3-28.5176.769.5-177.2-179.5-105.816.8114.2P195 H236 D238P195-R197 HydrophobicContact CB-CG 4.33Å; P195-R197 PolarHBondContact O-N 2.87Å; P195-R197 VanDerWaalsContact O-N 3.12Å; R197-H236 PolarHBondContact NH2-CE1 3.3Å; R197-D238 VanDerWaalsContact CZ-CG 3.47Å; R197-D238 IonicContact CZ-OD1 3.34Å; R197-D238 IonicContact CZ-OD2 2.78Å; R197-D238 IonicContact NE-OD2 2.78Å; R197-D238 PolarHBondContact NE-OD2 3.1Å; R197-D238 IonicContact NH1-OD2 3.53Å; R197-D238 IonicContact NH2-OD1 3.91Å; R197-D238 PolarHBondContact NH2-OD1 3.09Å; R197-D238 IonicContact NH2-OD2 2.84Å; R197-D238 PolarHBondContact NH2-OD2 3.43Å
198L80.4Confident72Confident9 Ų982.4 Ų82.45%0.04742%0.419CS..Hα-helixtrans-94.5-10.2179.2-65-178.1000113.2I194 P195 A196 T200 L201 H202 L228 D238 M242I194-L198 HydrophobicContact CG2-CB 4.06Å; P195-L198 HydrophobicContact CG-CD1 4.31Å; P195-L198 PolarHBondContact O-N 3.36Å; A196-L198 VanDerWaalsContact C-N 3.29Å; A196-L198 PolarHBondContact O-N 3.22Å; L198-T200 PolarHBondContact O-N 3.28Å; L198-L201 HydrophobicContact CD2-CD2 4.47Å; L198-L201 PolarHBondContact O-N 3.43Å; L198-H202 WeakPolarHBondContact O-CB 3.39Å; L198-H202 PolarHBondContact O-N 3.31Å; L198-L228 HydrophobicContact CD1-CD1 4.25Å; L198-L228 HydrophobicContact CD2-CD1 3.85Å; L198-L228 HydrophobicContact CD2-CD2 4.24Å; L198-L228 HydrophobicContact CD2-CG 4.45Å; L198-D238 HydrophobicContact CD1-CB 3.75Å; L198-D238 WeakPolarHBondContact CD1-OD2 3.29Å; L198-M242 HydrophobicContact CD1-CG 3.94Å; L198-M242 HydrophobicContact CD1-SD 4.28Å; L198-M242 HydrophobicContact CD2-CG 4.13Å; L198-M242 HydrophobicContact CD2-SD 4.09Å
199R83.9Confident74.9Confident151 Ų15173.5 Ų73.557%0.5738%0.379SS*.Hα-helixtrans-66.5-41.6-172.2-171.1154.660.5117.7-2.6113P195 A196 H202 N203P195-R199 PolarHBondContact O-N 2.93Å; P195-R199 VanDerWaalsContact O-N 3.12Å; A196-R199 WeakPolarHBondContact O-CB 3.47Å; A196-R199 PolarHBondContact O-N 2.73Å; R199-H202 PolarHBondContact O-N 3.13Å; R199-N203 WeakPolarHBondContact O-CB 3.38Å; R199-N203 PolarHBondContact O-N 2.8Å; R199-N203 PolarHBondContact O-ND2 2.88Å; R199-N203 PolarHBondContact O-OD1 3.07Å
200T86Confident77.6Confident109 Ų10969.8 Ų69.867%0.66937%0.373SS*.Hα-helixtrans-64.6-48177.147.70000111.4L198 N203 L204L198-T200 PolarHBondContact O-N 3.28Å; T200-N203 PolarHBondContact O-N 3.4Å; T200-L204 WeakPolarHBondContact O-CB 3.47Å; T200-L204 PolarHBondContact O-N 3.27Å
201L85.7Confident80.3Confident33 Ų3373.2 Ų73.217%0.17338%0.381CS..Hα-helixtrans-60.6-46175.5-178.671.3000111.5L198 N203 L204 V205 L220 A224 M242L198-L201 HydrophobicContact CD2-CD2 4.47Å; L198-L201 PolarHBondContact O-N 3.43Å; L201-N203 PolarHBondContact O-N 3.29Å; L201-L204 PolarHBondContact O-N 2.96Å; L201-V205 VanDerWaalsContact O-CG2 3.27Å; L201-V205 WeakPolarHBondContact O-CG2 3.06Å; L201-V205 PolarHBondContact O-N 2.97Å; L201-L220 HydrophobicContact CD1-CD1 3.85Å; L201-L220 HydrophobicContact CD1-CD2 3.93Å; L201-L220 HydrophobicContact CD1-CG 3.7Å; L201-A224 HydrophobicContact CD2-CB 3.22Å; L201-A224 HydrophobicContact CG-CB 4.43Å; L201-M242 HydrophobicContact CD2-CE 3.62Å; L201-M242 HydrophobicContact CD2-SD 3.92Å; L201-M242 HydrophobicContact CG-CE 4.41Å
202H83.5Confident82.5Confident24 Ų2472.9 Ų72.911%0.11138%0.377CS..Hα-helixtrans-57.3-48.2176.7173.773000111.9I194 L198 R199 L204 V205 I206 I245I194-H202 WeakPolarHBondContact CD1-CD2 3.43Å; I194-H202 VanDerWaalsContact CD1-CE1 3.42Å; I194-H202 WeakPolarHBondContact CD1-CE1 3.39Å; I194-H202 WeakPolarHBondContact CD1-NE2 3.13Å; I194-H202 HydrophobicContact CG2-CB 4.25Å; L198-H202 WeakPolarHBondContact O-CB 3.39Å; L198-H202 PolarHBondContact O-N 3.31Å; R199-H202 PolarHBondContact O-N 3.13Å; H202-L204 VanDerWaalsContact C-N 3.32Å; H202-L204 PolarHBondContact O-N 3.12Å; H202-V205 PolarHBondContact O-N 3.44Å; H202-I206 WeakPolarHBondContact CE1-CD1 3.37Å; H202-I206 WeakPolarHBondContact NE2-CD1 3.5Å; H202-I206 WeakPolarHBondContact O-CG1 3.43Å; H202-I206 PolarHBondContact O-N 3.45Å; H202-I245 HydrophobicContact CB-CD1 4.01Å; H202-I245 WeakPolarHBondContact ND1-CD1 3.37Å; H202-I245 VanDerWaalsContact ND1-CG1 3.28Å; H202-I245 WeakPolarHBondContact ND1-CG1 3.33Å
203N87.8Confident84.1Confident91 Ų9173.9 Ų73.949%0.48738%0.38SS..Hα-helixtrans-62.1-41.5178.2-70.6-11.1000111.4R199 T200 L201 I206 Q207R199-N203 WeakPolarHBondContact O-CB 3.38Å; R199-N203 PolarHBondContact O-N 2.8Å; R199-N203 PolarHBondContact O-ND2 2.88Å; R199-N203 PolarHBondContact O-OD1 3.07Å; T200-N203 PolarHBondContact O-N 3.4Å; L201-N203 PolarHBondContact O-N 3.29Å; N203-I206 PolarHBondContact O-N 3.24Å; N203-Q207 WeakPolarHBondContact O-CB 3.5Å; N203-Q207 PolarHBondContact O-N 3.13Å
204L89.7Confident85.6Confident59 Ų5968 Ų6831%0.30935%0.35SS..Hα-helixtrans-65.1-41.6178-17261.8000111.8T200 L201 H202 Q207 Y208 L220T200-L204 WeakPolarHBondContact O-CB 3.47Å; T200-L204 PolarHBondContact O-N 3.27Å; L201-L204 PolarHBondContact O-N 2.96Å; H202-L204 VanDerWaalsContact C-N 3.32Å; H202-L204 PolarHBondContact O-N 3.12Å; L204-Q207 PolarHBondContact O-N 3.13Å; L204-Y208 HydrophobicContact CD1-CD2 4.14Å; L204-Y208 HydrophobicContact CD1-CE2 3.48Å; L204-Y208 VanDerWaalsContact CD1-CE2 3.48Å; L204-Y208 HydrophobicContact CD2-CE2 3.95Å; L204-Y208 HydrophobicContact CG-CD2 3.91Å; L204-Y208 HydrophobicContact CG-CE2 3.43Å; L204-Y208 VanDerWaalsContact CG-CE2 3.43Å; L204-Y208 VanDerWaalsContact O-CD2 3.25Å; L204-Y208 WeakPolarHBondContact O-CD2 3.13Å; L204-Y208 PolarHBondContact O-N 3.02Å; L204-L220 HydrophobicContact CD2-CD2 3.9Å; L204-L220 HydrophobicContact CG-CD2 4.19Å
205V88.1Confident86.3Confident1 Ų171.4 Ų71.41%0.00637%0.365CS..Hα-helixtrans-62.9-46175169.30000111.1L201 H202 Q207 Y208 A209 A217 L220 C221 I245 V249L201-V205 VanDerWaalsContact O-CG2 3.27Å; L201-V205 WeakPolarHBondContact O-CG2 3.06Å; L201-V205 PolarHBondContact O-N 2.97Å; H202-V205 PolarHBondContact O-N 3.44Å; V205-Q207 VanDerWaalsContact C-N 3.29Å; V205-Q207 PolarHBondContact O-N 3.31Å; V205-Y208 PolarHBondContact O-N 3.4Å; V205-A209 VanDerWaalsContact O-CB 3.28Å; V205-A209 WeakPolarHBondContact O-CB 3.47Å; V205-A209 PolarHBondContact O-N 3.24Å; V205-A217 HydrophobicContact CG1-CB 4.48Å; V205-L220 HydrophobicContact CG2-CD2 4Å; V205-L220 HydrophobicContact CG2-CG 4.41Å; V205-C221 WeakPolarHBondContact CG1-SG 3.33Å; V205-C221 WeakPolarHBondContact CG2-SG 3.42Å; V205-I245 HydrophobicContact CB-CG2 4.29Å; V205-I245 HydrophobicContact CG1-CG2 3.64Å; V205-V249 HydrophobicContact CG1-CG2 3.71Å
206I87.2Confident86.9Confident84 Ų8472 Ų7243%0.43137%0.368SS..Hα-helixtrans-60.3-43175.6-73.1-178.3000110.5H202 N203 A209 S210H202-I206 WeakPolarHBondContact CE1-CD1 3.37Å; H202-I206 WeakPolarHBondContact NE2-CD1 3.5Å; H202-I206 WeakPolarHBondContact O-CG1 3.43Å; H202-I206 PolarHBondContact O-N 3.45Å; N203-I206 PolarHBondContact O-N 3.24Å; I206-A209 PolarHBondContact O-N 3.1Å; I206-S210 VanDerWaalsContact O-CB 3.31Å; I206-S210 WeakPolarHBondContact O-CB 3.31Å; I206-S210 PolarHBondContact O-N 3.28Å; I206-S210 PolarHBondContact O-OG 3.28Å
207Q89.8Confident87.5Confident101 Ų10168.2 Ų68.247%0.47234%0.337SS..Hα-helixtrans-60.4-50179.2-173177.519.700110.8N203 L204 V205 A209 S210 Q211N203-Q207 WeakPolarHBondContact O-CB 3.5Å; N203-Q207 PolarHBondContact O-N 3.13Å; L204-Q207 PolarHBondContact O-N 3.13Å; V205-Q207 VanDerWaalsContact C-N 3.29Å; V205-Q207 PolarHBondContact O-N 3.31Å; Q207-A209 PolarHBondContact O-N 2.89Å; Q207-S210 PolarHBondContact O-N 2.97Å; Q207-S210 PolarHBondContact O-OG 3.18Å; Q207-Q211 VanDerWaalsContact O-CG 3.31Å; Q207-Q211 WeakPolarHBondContact O-CG 3.45Å; Q207-Q211 PolarHBondContact O-N 3.17Å; Q207-Q211 VanDerWaalsContact O-N 3.11Å
208Y90.4Very high88.2Confident55 Ų5562.2 Ų62.222%0.21632%0.316CS..Hα-helixtrans-64.8-40177.6-69.7-47000112.7L204 V205 S210 Q211 G212 R213 V216 L220L204-Y208 HydrophobicContact CD1-CD2 4.14Å; L204-Y208 HydrophobicContact CD1-CE2 3.48Å; L204-Y208 VanDerWaalsContact CD1-CE2 3.48Å; L204-Y208 HydrophobicContact CD2-CE2 3.95Å; L204-Y208 HydrophobicContact CG-CD2 3.91Å; L204-Y208 HydrophobicContact CG-CE2 3.43Å; L204-Y208 VanDerWaalsContact CG-CE2 3.43Å; L204-Y208 VanDerWaalsContact O-CD2 3.25Å; L204-Y208 WeakPolarHBondContact O-CD2 3.13Å; L204-Y208 PolarHBondContact O-N 3.02Å; V205-Y208 PolarHBondContact O-N 3.4Å; Y208-S210 PolarHBondContact O-N 3.29Å; Y208-Q211 PolarHBondContact O-N 2.82Å; Y208-G212 PolarHBondContact O-N 2.79Å; Y208-R213 HydrophobicContact CD1-CB 4.46Å; Y208-R213 PolarHBondContact O-N 3.4Å; Y208-V216 HydrophobicContact CD2-CB 4.46Å; Y208-V216 HydrophobicContact CD2-CG1 3.87Å; Y208-V216 HydrophobicContact CE2-CG1 3.76Å; Y208-V216 HydrophobicContact CG-CB 4.48Å; Y208-V216 HydrophobicContact CG-CG1 4.32Å; Y208-L220 HydrophobicContact CD2-CD2 4.41Å; Y208-L220 HydrophobicContact CE2-CD2 4.39Å
209A87.4Confident88.8Confident9 Ų965.2 Ų65.27%0.07434%0.337CS..Hα-helixtrans-62.5-42.3175.400000112.1V205 I206 Q207 Q211 G212 Y214 V249V205-A209 VanDerWaalsContact O-CB 3.28Å; V205-A209 WeakPolarHBondContact O-CB 3.47Å; V205-A209 PolarHBondContact O-N 3.24Å; I206-A209 PolarHBondContact O-N 3.1Å; Q207-A209 PolarHBondContact O-N 2.89Å; A209-Q211 VanDerWaalsContact C-N 3.27Å; A209-Q211 PolarHBondContact O-N 3.14Å; A209-G212 PolarHBondContact O-N 2.77Å; A209-Y214 HydrophobicContact CB-CE1 4.19Å; A209-V249 HydrophobicContact CB-CG2 4.19Å
210S88.4Confident89.1Confident94 Ų9460.4 Ų60.466%0.65732%0.322SS*.Hα-helixtrans-65.9-29.8178.174.40000113.1I206 Q207 Y208 G212I206-S210 VanDerWaalsContact O-CB 3.31Å; I206-S210 WeakPolarHBondContact O-CB 3.31Å; I206-S210 PolarHBondContact O-N 3.28Å; I206-S210 PolarHBondContact O-OG 3.28Å; Q207-S210 PolarHBondContact O-N 2.97Å; Q207-S210 PolarHBondContact O-OG 3.18Å; Y208-S210 PolarHBondContact O-N 3.29Å; S210-G212 PolarHBondContact O-N 3.34Å
211Q90.8Very high89.4Confident102 Ų10255.2 Ų55.248%0.47729%0.29SS..THydrogen-bonded Turntrans-79.2-4173.5-67.7170.112.500112.6Q207 Y208 A209 R213Q207-Q211 VanDerWaalsContact O-CG 3.31Å; Q207-Q211 WeakPolarHBondContact O-CG 3.45Å; Q207-Q211 PolarHBondContact O-N 3.17Å; Q207-Q211 VanDerWaalsContact O-N 3.11Å; Y208-Q211 PolarHBondContact O-N 2.82Å; A209-Q211 VanDerWaalsContact C-N 3.27Å; A209-Q211 PolarHBondContact O-N 3.14Å; Q211-R213 HydrophobicContact CB-CG 4.19Å; Q211-R213 PolarHBondContact O-N 3.05Å
212G87.5Confident89.7Confident37 Ų3758.4 Ų58.438%0.38130%0.302SS..THydrogen-bonded Turntrans7410.1-174.200000114.2Y208 A209 S210 Y214Y208-G212 PolarHBondContact O-N 2.79Å; A209-G212 PolarHBondContact O-N 2.77Å; S210-G212 PolarHBondContact O-N 3.34Å; G212-Y214 VanDerWaalsContact O-CD2 3.31Å; G212-Y214 WeakPolarHBondContact O-CD2 3.47Å; G212-Y214 PolarHBondContact O-N 2.94Å
213R92.2Very high90.1Very high104 Ų10461.7 Ų61.739%0.39232%0.318SS..  trans-83.960.6-179.8-69.5-171.265.6-168.21.4112Y208 Q211 E215 V216 A217Y208-R213 HydrophobicContact CD1-CB 4.46Å; Y208-R213 PolarHBondContact O-N 3.4Å; Q211-R213 HydrophobicContact CB-CG 4.19Å; Q211-R213 PolarHBondContact O-N 3.05Å; R213-E215 WeakPolarHBondContact CA-OE1 3.46Å; R213-E215 WeakPolarHBondContact CA-OE2 3.5Å; R213-E215 VanDerWaalsContact CB-OE1 3.29Å; R213-E215 WeakPolarHBondContact CB-OE1 3.46Å; R213-E215 WeakPolarHBondContact CG-OE1 3.47Å; R213-E215 IonicContact NE-OE1 3.03Å; R213-E215 PolarHBondContact NE-OE1 3.13Å; R213-E215 PolarHBondContact O-N 3.46Å; R213-V216 PolarHBondContact O-N 3.39Å; R213-A217 PolarHBondContact O-N 3.36Å
214Y91.2Very high90.3Very high64 Ų6458 Ų5825%0.25130%0.3SS..Hα-helixtrans-66.7-24.6-177-62.5-59.9000113.7A209 G212 V216 V218 V249 D252 Q253A209-Y214 HydrophobicContact CB-CE1 4.19Å; G212-Y214 VanDerWaalsContact O-CD2 3.31Å; G212-Y214 WeakPolarHBondContact O-CD2 3.47Å; G212-Y214 PolarHBondContact O-N 2.94Å; Y214-V216 PolarHBondContact O-N 2.93Å; Y214-V218 WeakPolarHBondContact O-CB 3.48Å; Y214-V218 WeakPolarHBondContact O-CG2 3.16Å; Y214-V218 PolarHBondContact O-N 2.96Å; Y214-V218 VanDerWaalsContact O-N 3.09Å; Y214-V249 HydrophobicContact CD1-CG1 3.81Å; Y214-V249 HydrophobicContact CE1-CG1 4.31Å; Y214-D252 HydrophobicContact CE1-CB 4.19Å; Y214-D252 WeakPolarHBondContact OH-CB 3.46Å; Y214-Q253 HydrophobicContact CD1-CG 3.73Å; Y214-Q253 HydrophobicContact CD2-CG 3.75Å; Y214-Q253 HydrophobicContact CE1-CG 4.02Å; Y214-Q253 HydrophobicContact CE2-CG 4.05Å; Y214-Q253 HydrophobicContact CG-CG 3.58Å
215E88.9Confident90.4Very high117 Ų11755.8 Ų55.855%0.54729%0.289SS..Hα-helixtrans-63.5-25.7175.973.7-66.8161.800113.1R213 P219R213-E215 WeakPolarHBondContact CA-OE1 3.46Å; R213-E215 WeakPolarHBondContact CA-OE2 3.5Å; R213-E215 VanDerWaalsContact CB-OE1 3.29Å; R213-E215 WeakPolarHBondContact CB-OE1 3.46Å; R213-E215 WeakPolarHBondContact CG-OE1 3.47Å; R213-E215 IonicContact NE-OE1 3.03Å; R213-E215 PolarHBondContact NE-OE1 3.13Å; R213-E215 PolarHBondContact O-N 3.46Å; E215-P219 WeakPolarHBondContact O-CD 3.4Å; E215-P219 WeakPolarHBondContact O-CG 3.18Å
216V89.9Confident90.6Very high43 Ų4360.2 Ų60.226%0.26131%0.309SS..Hα-helixtrans-97.4-42.1175.1-177.50000111Y208 R213 Y214 V218 P219 L220Y208-V216 HydrophobicContact CD2-CB 4.46Å; Y208-V216 HydrophobicContact CD2-CG1 3.87Å; Y208-V216 HydrophobicContact CE2-CG1 3.76Å; Y208-V216 HydrophobicContact CG-CB 4.48Å; Y208-V216 HydrophobicContact CG-CG1 4.32Å; R213-V216 PolarHBondContact O-N 3.39Å; Y214-V216 PolarHBondContact O-N 2.93Å; V216-V218 PolarHBondContact O-N 3.13Å; V216-P219 WeakPolarHBondContact O-CD 3.07Å; V216-L220 VanDerWaalsContact O-CB 3.24Å; V216-L220 WeakPolarHBondContact O-CB 3.4Å; V216-L220 PolarHBondContact O-N 3.16Å
217A90.7Very high90.7Very high0 Ų059.6 Ų59.60%031%0.307CS..Hα-helixtrans-61.9-43.2-176.500000112.9V205 R213 C221 V249V205-A217 HydrophobicContact CG1-CB 4.48Å; R213-A217 PolarHBondContact O-N 3.36Å; A217-C221 PolarHBondContact O-N 3.36Å; A217-C221 PolarHBondContact O-SG 3.08Å; A217-C221 VanDerWaalsContact O-SG 3.4Å; A217-V249 HydrophobicContact CB-CG1 4.3Å
218V92.1Very high90.7Very high19 Ų1955.5 Ų55.512%0.11529%0.288CS..Hα-helixtrans-68.7-50.5-176.3171.80000112.4Y214 V216 L220 C221 K222 L246 V249 Y250 Q253Y214-V218 WeakPolarHBondContact O-CB 3.48Å; Y214-V218 WeakPolarHBondContact O-CG2 3.16Å; Y214-V218 PolarHBondContact O-N 2.96Å; Y214-V218 VanDerWaalsContact O-N 3.09Å; V216-V218 PolarHBondContact O-N 3.13Å; V218-L220 VanDerWaalsContact C-N 3.29Å; V218-L220 PolarHBondContact O-N 3.38Å; V218-C221 PolarHBondContact O-N 3.47Å; V218-K222 HydrophobicContact CG1-CD 4.36Å; V218-K222 WeakPolarHBondContact O-CG 3.45Å; V218-K222 PolarHBondContact O-N 3.38Å; V218-L246 HydrophobicContact CG1-CD1 4.26Å; V218-L246 HydrophobicContact CG2-CD1 4.36Å; V218-V249 HydrophobicContact CG2-CG1 3.77Å; V218-Y250 HydrophobicContact CG1-CE1 3.96Å; V218-Y250 WeakPolarHBondContact CG1-OH 3.47Å; V218-Y250 HydrophobicContact CG2-CD1 4.37Å; V218-Y250 HydrophobicContact CG2-CE1 3.84Å; V218-Q253 VanDerWaalsContact CG2-NE2 3.29Å
219P93.1Very high90.8Very high73 Ų7356.6 Ų56.647%0.47430%0.295SS..Hα-helixtrans-60-39.5176-26.337000112.7E215 V216 C221 K222 Q223E215-P219 WeakPolarHBondContact O-CD 3.4Å; E215-P219 WeakPolarHBondContact O-CG 3.18Å; V216-P219 WeakPolarHBondContact O-CD 3.07Å; P219-C221 PolarHBondContact O-N 2.93Å; P219-K222 PolarHBondContact O-N 3.21Å; P219-Q223 WeakPolarHBondContact O-CB 3.32Å; P219-Q223 PolarHBondContact O-N 3.38Å
220L91.2Very high91Very high49 Ų4963.7 Ų63.726%0.25732%0.324SS..Hα-helixtrans-61.3-43.9177.5-176.865.6000112L201 L204 V205 Y208 V216 V218 A224L201-L220 HydrophobicContact CD1-CD1 3.85Å; L201-L220 HydrophobicContact CD1-CD2 3.93Å; L201-L220 HydrophobicContact CD1-CG 3.7Å; L204-L220 HydrophobicContact CD2-CD2 3.9Å; L204-L220 HydrophobicContact CG-CD2 4.19Å; V205-L220 HydrophobicContact CG2-CD2 4Å; V205-L220 HydrophobicContact CG2-CG 4.41Å; Y208-L220 HydrophobicContact CD2-CD2 4.41Å; Y208-L220 HydrophobicContact CE2-CD2 4.39Å; V216-L220 VanDerWaalsContact O-CB 3.24Å; V216-L220 WeakPolarHBondContact O-CB 3.4Å; V216-L220 PolarHBondContact O-N 3.16Å; V218-L220 VanDerWaalsContact C-N 3.29Å; V218-L220 PolarHBondContact O-N 3.38Å; L220-A224 WeakPolarHBondContact O-CB 3.48Å; L220-A224 PolarHBondContact O-N 3.38Å; L220-A224 VanDerWaalsContact O-N 3.11Å
221C91.4Very high91Very high0 Ų064.6 Ų64.60%033%0.326CS..Hα-helixtrans-63.3-41.4173.8-77.90000113V205 A217 V218 P219 A224 L225 M242 L246V205-C221 WeakPolarHBondContact CG1-SG 3.33Å; V205-C221 WeakPolarHBondContact CG2-SG 3.42Å; A217-C221 PolarHBondContact O-N 3.36Å; A217-C221 PolarHBondContact O-SG 3.08Å; A217-C221 VanDerWaalsContact O-SG 3.4Å; V218-C221 PolarHBondContact O-N 3.47Å; P219-C221 PolarHBondContact O-N 2.93Å; C221-A224 PolarHBondContact O-N 3.44Å; C221-L225 WeakPolarHBondContact O-CB 3.36Å; C221-L225 WeakPolarHBondContact O-CG 3.29Å; C221-L225 PolarHBondContact O-N 3.34Å; C221-M242 HydrophobicContact CB-CE 4.5Å; C221-L246 HydrophobicContact CB-CB 4.19Å; C221-L246 HydrophobicContact CB-CD1 3.82Å; C221-L246 HydrophobicContact CB-CG 4.41Å
222K92.7Very high90.7Very high100 Ų10062 Ų6244%0.43532%0.319SS..Hα-helixtrans-65.6-46.1179.4-74.5-174.4173.6-167.60111.6V218 P219 A224 L225 E226 L246 Y250V218-K222 HydrophobicContact CG1-CD 4.36Å; V218-K222 WeakPolarHBondContact O-CG 3.45Å; V218-K222 PolarHBondContact O-N 3.38Å; P219-K222 PolarHBondContact O-N 3.21Å; K222-A224 VanDerWaalsContact C-N 3.32Å; K222-A224 PolarHBondContact O-N 3.46Å; K222-L225 WeakPolarHBondContact O-CB 3.4Å; K222-L225 PolarHBondContact O-N 2.91Å; K222-L225 VanDerWaalsContact O-N 3.15Å; K222-E226 WeakPolarHBondContact O-CG 3.36Å; K222-E226 PolarHBondContact O-N 2.91Å; K222-L246 HydrophobicContact CG-CD2 4.37Å; K222-Y250 WeakPolarHBondContact CE-OH 3.33Å
223Q91.9Very high90.8Very high94 Ų9461.7 Ų61.744%0.43932%0.316SS..Hα-helixtrans-57.3-47.5176.1-175.860.548.900111.1P219 L225 E226 D227P219-Q223 WeakPolarHBondContact O-CB 3.32Å; P219-Q223 PolarHBondContact O-N 3.38Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.17Å; Q223-E226 PolarHBondContact O-N 3.21Å; Q223-D227 PolarHBondContact NE2-OD1 3.34Å; Q223-D227 VanDerWaalsContact NE2-OD1 3.14Å; Q223-D227 PolarHBondContact NE2-OD2 3.39Å; Q223-D227 VanDerWaalsContact O-CG 3.26Å; Q223-D227 PolarHBondContact O-N 3.1Å
224A91Very high90.7Very high13 Ų1360.2 Ų60.211%0.10731%0.313CS..Hα-helixtrans-66-32.9178.600000113.6L201 L220 C221 K222 L228 M242L201-A224 HydrophobicContact CD2-CB 3.22Å; L201-A224 HydrophobicContact CG-CB 4.43Å; L220-A224 WeakPolarHBondContact O-CB 3.48Å; L220-A224 PolarHBondContact O-N 3.38Å; L220-A224 VanDerWaalsContact O-N 3.11Å; C221-A224 PolarHBondContact O-N 3.44Å; K222-A224 VanDerWaalsContact C-N 3.32Å; K222-A224 PolarHBondContact O-N 3.46Å; A224-L228 WeakPolarHBondContact O-CB 3.44Å; A224-L228 VanDerWaalsContact O-CG 3.23Å; A224-L228 WeakPolarHBondContact O-CG 3.39Å; A224-L228 PolarHBondContact O-N 3.1Å; A224-M242 HydrophobicContact CB-CE 3.96Å
225L91.7Very high90.6Very high13 Ų1360.9 Ų60.97%0.06832%0.321CS..Hα-helixtrans-63.5-47.4171.7-82.4165.9000111C221 K222 Q223 D227 L228 E229 V239 M242 L243 L246C221-L225 WeakPolarHBondContact O-CB 3.36Å; C221-L225 WeakPolarHBondContact O-CG 3.29Å; C221-L225 PolarHBondContact O-N 3.34Å; K222-L225 WeakPolarHBondContact O-CB 3.4Å; K222-L225 PolarHBondContact O-N 2.91Å; K222-L225 VanDerWaalsContact O-N 3.15Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.17Å; L225-D227 VanDerWaalsContact C-N 3.32Å; L225-D227 PolarHBondContact O-N 3.38Å; L225-L228 PolarHBondContact O-N 2.9Å; L225-E229 WeakPolarHBondContact O-CB 3.43Å; L225-E229 WeakPolarHBondContact O-CG 3.44Å; L225-E229 PolarHBondContact O-N 2.81Å; L225-V239 HydrophobicContact CD2-CG1 4.01Å; L225-M242 HydrophobicContact CD2-CB 3.43Å; L225-M242 VanDerWaalsContact CD2-CB 3.43Å; L225-M242 HydrophobicContact CG-CB 3.87Å; L225-L243 HydrophobicContact CD1-CD2 3.93Å; L225-L243 HydrophobicContact CD2-CD2 4.01Å; L225-L243 HydrophobicContact CD2-CG 3.85Å; L225-L246 HydrophobicContact CD1-CD2 3.78Å
226E92.1Very high90.6Very high93 Ų9357.8 Ų57.844%0.43531%0.307SS..Hα-helixtrans-60.5-40.6177.5-69173.5-156.200112.2K222 Q223 E229 K230K222-E226 WeakPolarHBondContact O-CG 3.36Å; K222-E226 PolarHBondContact O-N 2.91Å; Q223-E226 PolarHBondContact O-N 3.21Å; E226-E229 PolarHBondContact O-N 3.29Å; E226-K230 VanDerWaalsContact O-CG 3.28Å; E226-K230 WeakPolarHBondContact O-CG 3.38Å; E226-K230 PolarHBondContact O-N 3Å
227D90.9Very high90.5Very high71 Ų7157.8 Ų57.838%0.3831%0.308SS..Hα-helixtrans-69.4-37.4178.3-64.7-24.2000111.9Q223 L225 T231Q223-D227 PolarHBondContact NE2-OD1 3.34Å; Q223-D227 VanDerWaalsContact NE2-OD1 3.14Å; Q223-D227 PolarHBondContact NE2-OD2 3.39Å; Q223-D227 VanDerWaalsContact O-CG 3.26Å; Q223-D227 PolarHBondContact O-N 3.1Å; L225-D227 VanDerWaalsContact C-N 3.32Å; L225-D227 PolarHBondContact O-N 3.38Å; D227-T231 WeakPolarHBondContact O-CB 3.3Å; D227-T231 WeakPolarHBondContact O-CG2 3.49Å; D227-T231 PolarHBondContact O-N 3.31Å; D227-T231 VanDerWaalsContact O-N 3.14Å; D227-T231 PolarHBondContact O-OG1 3.26Å
228L89.6Confident90.4Very high15 Ų1558.2 Ų58.28%0.07931%0.31CS..Hα-helixtrans-68.5-40.3173.8-75.6172.4000112.4L198 A224 L225 K230 T231 S232 D238 V239 M242L198-L228 HydrophobicContact CD1-CD1 4.25Å; L198-L228 HydrophobicContact CD2-CD1 3.85Å; L198-L228 HydrophobicContact CD2-CD2 4.24Å; L198-L228 HydrophobicContact CD2-CG 4.45Å; A224-L228 WeakPolarHBondContact O-CB 3.44Å; A224-L228 VanDerWaalsContact O-CG 3.23Å; A224-L228 WeakPolarHBondContact O-CG 3.39Å; A224-L228 PolarHBondContact O-N 3.1Å; L225-L228 PolarHBondContact O-N 2.9Å; L228-K230 VanDerWaalsContact C-N 3.34Å; L228-T231 WeakPolarHBondContact CA-OG1 3.45Å; L228-T231 PolarHBondContact O-N 3.46Å; L228-T231 PolarHBondContact O-OG1 3.25Å; L228-S232 WeakPolarHBondContact O-CB 3.45Å; L228-S232 PolarHBondContact O-N 3.08Å; L228-D238 HydrophobicContact CD1-CB 4.32Å; L228-D238 HydrophobicContact CD2-CB 4.22Å; L228-V239 HydrophobicContact CB-CG2 3.96Å; L228-M242 HydrophobicContact CD1-CB 4.12Å; L228-M242 HydrophobicContact CD1-CG 3.36Å
229E92Very high90.3Very high78 Ų7857.3 Ų57.336%0.36430%0.304SS..Hα-helixtrans-64.7-39177.2-75.1-178.2174.500111.5L225 E226 G233 H234 V239L225-E229 WeakPolarHBondContact O-CB 3.43Å; L225-E229 WeakPolarHBondContact O-CG 3.44Å; L225-E229 PolarHBondContact O-N 2.81Å; E226-E229 PolarHBondContact O-N 3.29Å; E229-G233 VanDerWaalsContact O-CA 3.24Å; E229-G233 WeakPolarHBondContact O-CA 3.5Å; E229-G233 PolarHBondContact O-N 3.42Å; E229-H234 HydrophobicContact CG-CB 4.37Å; E229-H234 IonicContact OE1-CE1 2.73Å; E229-H234 IonicContact OE1-CG 2.75Å; E229-H234 IonicContact OE1-ND1 3.64Å; E229-H234 PolarHBondContact OE1-ND1 3.19Å; E229-V239 HydrophobicContact CG-CG1 4.26Å; E229-V239 HydrophobicContact CG-CG2 4.17Å
230K90.9Very high90.2Very high159 Ų15953.8 Ų53.869%0.69128%0.282SS*.Hα-helixtrans-66.3-37.8175.2-74.7170.3-171.9163.40113.3E226 L228E226-K230 VanDerWaalsContact O-CG 3.28Å; E226-K230 WeakPolarHBondContact O-CG 3.38Å; E226-K230 PolarHBondContact O-N 3Å; L228-K230 VanDerWaalsContact C-N 3.34Å
231T88.6Confident90.1Very high112 Ų11252.2 Ų52.269%0.68727%0.274SS*.Hα-helixtrans-87.7-41.1-173.950.60000113.2D227 L228D227-T231 WeakPolarHBondContact O-CB 3.3Å; D227-T231 WeakPolarHBondContact O-CG2 3.49Å; D227-T231 PolarHBondContact O-N 3.31Å; D227-T231 VanDerWaalsContact O-N 3.14Å; D227-T231 PolarHBondContact O-OG1 3.26Å; L228-T231 WeakPolarHBondContact CA-OG1 3.45Å; L228-T231 PolarHBondContact O-N 3.46Å; L228-T231 PolarHBondContact O-OG1 3.25Å
232S85.3Confident90.1Very high48 Ų4852.2 Ų52.234%0.33627%0.274SS..Hα-helixtrans-116.5-11.1-168.6-49.70000113.5L228L228-S232 WeakPolarHBondContact O-CB 3.45Å; L228-S232 PolarHBondContact O-N 3.08Å
233G89.4Confident90.1Very high31 Ų3147.8 Ų47.832%0.3226%0.255SS..  trans81.4159.3-171.800000113.2E229 H236 V239E229-G233 VanDerWaalsContact O-CA 3.24Å; E229-G233 WeakPolarHBondContact O-CA 3.5Å; E229-G233 PolarHBondContact O-N 3.42Å; G233-H236 WeakPolarHBondContact O-CB 3.38Å; G233-H236 PolarHBondContact O-N 2.92Å; G233-V239 WeakPolarHBondContact O-CG2 3.5Å
234H89.8Confident90.1Very high72 Ų7243.7 Ų43.733%0.33324%0.236SC..THydrogen-bonded Turntrans-68.4-35.1-174.5-17978.6000113.6E229 H236 D265 I269E229-H234 HydrophobicContact CG-CB 4.37Å; E229-H234 IonicContact OE1-CE1 2.73Å; E229-H234 IonicContact OE1-CG 2.75Å; E229-H234 IonicContact OE1-ND1 3.64Å; E229-H234 PolarHBondContact OE1-ND1 3.19Å; H234-H236 PolarHBondContact O-N 3.13Å; H234-D265 IonicContact CE1-OD1 2.8Å; H234-D265 IonicContact CE1-OD2 3.13Å; H234-D265 PolarHBondContact CE1-OD2 2.96Å; H234-D265 IonicContact NE2-OD1 3.12Å; H234-D265 PolarHBondContact NE2-OD1 3.05Å; H234-D265 IonicContact NE2-OD2 2.67Å; H234-I269 VanDerWaalsContact O-CD1 3.31Å; H234-I269 WeakPolarHBondContact O-CD1 3.35Å
235D90.2Very high90Very high78 Ų7843.3 Ų43.342%0.41723%0.232SC..THydrogen-bonded Turntrans-77.719.8179.5-79.5-40.1000113.3K272 T273D235-K272 IonicContact OD1-NZ 2.62Å; D235-K272 PolarHBondContact OD1-NZ 3.25Å; D235-K272 IonicContact OD2-NZ 3.79Å; D235-K272 PolarHBondContact OD2-NZ 2.94Å; D235-K272 VanDerWaalsContact OD2-NZ 3.11Å; D235-T273 WeakPolarHBondContact O-CG2 3.39Å
236H88.4Confident90.1Very high53 Ų5342.9 Ų42.925%0.24523%0.23CC..SBendtrans-89.5142.2-179.5-169.9-78.5000112.7R197 G233 H234 D238 V239 A240R197-H236 PolarHBondContact NH2-CE1 3.3Å; G233-H236 WeakPolarHBondContact O-CB 3.38Å; G233-H236 PolarHBondContact O-N 2.92Å; H234-H236 PolarHBondContact O-N 3.13Å; H236-D238 IonicContact CE1-OD1 2.84Å; H236-D238 PolarHBondContact CE1-OD1 2.91Å; H236-D238 VanDerWaalsContact ND1-CB 3.31Å; H236-D238 WeakPolarHBondContact ND1-CB 3.41Å; H236-D238 PolarHBondContact ND1-N 3.1Å; H236-D238 IonicContact ND1-OD1 3.58Å; H236-D238 PolarHBondContact ND1-OD1 3.26Å; H236-D238 PolarHBondContact O-N 3.39Å; H236-D238 VanDerWaalsContact O-N 3.15Å; H236-V239 HydrophobicContact CB-CG2 4.34Å; H236-V239 WeakPolarHBondContact O-CB 3.33Å; H236-V239 PolarHBondContact O-N 3.02Å; H236-A240 PolarHBondContact O-N 2.98Å
237P87.4Confident90.1Very high43 Ų4338.5 Ų38.528%0.27921%0.21SC..Hα-helixtrans-58.2-30.4-178.921.7-35.1000114.7A240 T241P237-A240 WeakPolarHBondContact O-CB 3.36Å; P237-A240 PolarHBondContact O-N 3.43Å; P237-T241 PolarHBondContact O-N 2.84Å; P237-T241 PolarHBondContact O-OG1 3.1Å
238D88Confident90Very high8 Ų837.5 Ų37.54%0.04320%0.204CC..Hα-helixtrans-62.9-39.1172.6-77.145.5000113.5P195 R197 L198 L228 H236 A240 T241 M242P195-D238 WeakPolarHBondContact CG-OD1 3.37Å; R197-D238 VanDerWaalsContact CZ-CG 3.47Å; R197-D238 IonicContact CZ-OD1 3.34Å; R197-D238 IonicContact CZ-OD2 2.78Å; R197-D238 IonicContact NE-OD2 2.78Å; R197-D238 PolarHBondContact NE-OD2 3.1Å; R197-D238 IonicContact NH1-OD2 3.53Å; R197-D238 IonicContact NH2-OD1 3.91Å; R197-D238 PolarHBondContact NH2-OD1 3.09Å; R197-D238 IonicContact NH2-OD2 2.84Å; R197-D238 PolarHBondContact NH2-OD2 3.43Å; L198-D238 HydrophobicContact CD1-CB 3.75Å; L198-D238 WeakPolarHBondContact CD1-OD2 3.29Å; L228-D238 HydrophobicContact CD1-CB 4.32Å; L228-D238 HydrophobicContact CD2-CB 4.22Å; H236-D238 IonicContact CE1-OD1 2.84Å; H236-D238 PolarHBondContact CE1-OD1 2.91Å; H236-D238 VanDerWaalsContact ND1-CB 3.31Å; H236-D238 WeakPolarHBondContact ND1-CB 3.41Å; H236-D238 PolarHBondContact ND1-N 3.1Å; H236-D238 IonicContact ND1-OD1 3.58Å; H236-D238 PolarHBondContact ND1-OD1 3.26Å; H236-D238 PolarHBondContact O-N 3.39Å; H236-D238 VanDerWaalsContact O-N 3.15Å; D238-A240 VanDerWaalsContact C-N 3.34Å; D238-T241 WeakPolarHBondContact O-CB 3.23Å; D238-T241 PolarHBondContact O-N 2.98Å; D238-M242 PolarHBondContact O-N 3.14Å
239V90.8Very high90.1Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-63-45.8174.5176.90000108.9L225 L228 E229 G233 H236 T241 M242 L243 I269L225-V239 HydrophobicContact CD2-CG1 4.01Å; L228-V239 HydrophobicContact CB-CG2 3.96Å; E229-V239 HydrophobicContact CG-CG1 4.26Å; E229-V239 HydrophobicContact CG-CG2 4.17Å; G233-V239 WeakPolarHBondContact O-CG2 3.5Å; H236-V239 HydrophobicContact CB-CG2 4.34Å; H236-V239 WeakPolarHBondContact O-CB 3.33Å; H236-V239 PolarHBondContact O-N 3.02Å; V239-T241 VanDerWaalsContact C-N 3.25Å; V239-T241 PolarHBondContact O-N 3.32Å; V239-M242 PolarHBondContact O-N 3.03Å; V239-M242 VanDerWaalsContact O-N 3.17Å; V239-L243 HydrophobicContact CG1-CD1 3.97Å; V239-L243 HydrophobicContact CG1-CG 4.25Å; V239-L243 WeakPolarHBondContact O-CB 3.36Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.46Å; V239-L243 PolarHBondContact O-N 3.41Å; V239-I269 HydrophobicContact CG1-CD1 4.13Å
240A91.4Very high90.1Very high0 Ų034.3 Ų34.30%019%0.188CC..Hα-helixtrans-60-34.7174.700000113.2H236 P237 D238 N244 A266 I269 R270H236-A240 PolarHBondContact O-N 2.98Å; P237-A240 WeakPolarHBondContact O-CB 3.36Å; P237-A240 PolarHBondContact O-N 3.43Å; D238-A240 VanDerWaalsContact C-N 3.34Å; A240-N244 WeakPolarHBondContact O-CB 3.34Å; A240-N244 PolarHBondContact O-N 2.98Å; A240-A266 HydrophobicContact CB-CB 4.17Å; A240-I269 HydrophobicContact CB-CB 4.03Å; A240-I269 HydrophobicContact CB-CG2 3.86Å; A240-R270 HydrophobicContact CB-CG 3.78Å
241T89.3Confident90.1Very high16 Ų1630.7 Ų30.710%0.09817%0.17CC..Hα-helixtrans-68-45.6175.7-60.30000111.2I194 P237 D238 V239 N244 I245I194-T241 HydrophobicContact CG1-CG2 4.46Å; I194-T241 HydrophobicContact CG2-CG2 4.34Å; P237-T241 PolarHBondContact O-N 2.84Å; P237-T241 PolarHBondContact O-OG1 3.1Å; D238-T241 WeakPolarHBondContact O-CB 3.23Å; D238-T241 PolarHBondContact O-N 2.98Å; V239-T241 VanDerWaalsContact C-N 3.25Å; V239-T241 PolarHBondContact O-N 3.32Å; T241-N244 PolarHBondContact O-N 3.36Å; T241-I245 HydrophobicContact CG2-CD1 4.18Å; T241-I245 VanDerWaalsContact O-CG1 3.28Å; T241-I245 WeakPolarHBondContact O-CG1 3.27Å; T241-I245 PolarHBondContact O-N 2.94Å
242M90.3Very high90.2Very high0 Ų028.7 Ų28.70%016%0.155CC..Hα-helixtrans-66.4-39.2176.3-75.3-53.7-59.400113.3L198 L201 C221 A224 L225 L228 D238 V239 N244 I245 L246L198-M242 HydrophobicContact CD1-CG 3.94Å; L198-M242 HydrophobicContact CD1-SD 4.28Å; L198-M242 HydrophobicContact CD2-CG 4.13Å; L198-M242 HydrophobicContact CD2-SD 4.09Å; L201-M242 HydrophobicContact CD2-CE 3.62Å; L201-M242 HydrophobicContact CD2-SD 3.92Å; L201-M242 HydrophobicContact CG-CE 4.41Å; C221-M242 HydrophobicContact CB-CE 4.5Å; A224-M242 HydrophobicContact CB-CE 3.96Å; L225-M242 HydrophobicContact CD2-CB 3.43Å; L225-M242 VanDerWaalsContact CD2-CB 3.43Å; L225-M242 HydrophobicContact CG-CB 3.87Å; L228-M242 HydrophobicContact CD1-CB 4.12Å; L228-M242 HydrophobicContact CD1-CG 3.36Å; D238-M242 PolarHBondContact O-N 3.14Å; V239-M242 PolarHBondContact O-N 3.03Å; V239-M242 VanDerWaalsContact O-N 3.17Å; M242-N244 VanDerWaalsContact C-N 3.32Å; M242-N244 PolarHBondContact O-N 2.79Å; M242-I245 WeakPolarHBondContact O-CB 3.13Å; M242-I245 PolarHBondContact O-N 3.16Å; M242-I245 HydrophobicContact SD-CD1 3.7Å; M242-L246 PolarHBondContact O-N 3.02Å
243L93.4Very high90.4Very high6 Ų628.3 Ų28.33%0.03115%0.148CC..Hα-helixtrans-60.2-42.9173.1-74171.7000111.1L225 V239 I245 L246 A247 L262 D265 A266 I269L225-L243 HydrophobicContact CD1-CD2 3.93Å; L225-L243 HydrophobicContact CD2-CD2 4.01Å; L225-L243 HydrophobicContact CD2-CG 3.85Å; V239-L243 HydrophobicContact CG1-CD1 3.97Å; V239-L243 HydrophobicContact CG1-CG 4.25Å; V239-L243 WeakPolarHBondContact O-CB 3.36Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.46Å; V239-L243 PolarHBondContact O-N 3.41Å; L243-I245 PolarHBondContact O-N 3.04Å; L243-L246 PolarHBondContact O-N 2.93Å; L243-A247 WeakPolarHBondContact O-CB 3.35Å; L243-A247 PolarHBondContact O-N 3.1Å; L243-L262 HydrophobicContact CD2-CD2 3.64Å; L243-D265 HydrophobicContact CD1-CB 4.2Å; L243-D265 WeakPolarHBondContact CD1-OD2 3.27Å; L243-A266 HydrophobicContact CB-CB 3.95Å; L243-A266 HydrophobicContact CD1-CB 4.38Å; L243-I269 HydrophobicContact CD1-CD1 3.71Å
244N91.1Very high90.4Very high8 Ų831.9 Ų31.94%0.04316%0.16CC..Hα-helixtrans-63.7-39.6175.3-179.783.8000112A240 T241 M242 A247 L248 L263 N287A240-N244 WeakPolarHBondContact O-CB 3.34Å; A240-N244 PolarHBondContact O-N 2.98Å; T241-N244 PolarHBondContact O-N 3.36Å; M242-N244 VanDerWaalsContact C-N 3.32Å; M242-N244 PolarHBondContact O-N 2.79Å; N244-A247 PolarHBondContact O-N 3.02Å; N244-L248 WeakPolarHBondContact O-CG 3.25Å; N244-L248 PolarHBondContact O-N 3.02Å; N244-L248 VanDerWaalsContact O-N 3.12Å; N244-L263 HydrophobicContact CB-CD2 4.06Å; N244-L263 WeakPolarHBondContact OD1-CD2 3.45Å; N244-N287 PolarHBondContact OD1-ND2 2.74Å; N244-N287 VanDerWaalsContact OD1-ND2 3.08Å
245I89.9Confident90.6Very high6 Ų632.6 Ų32.63%0.03116%0.162CC..Hα-helixtrans-62.5-49.6175.5-66.4161.6000110.6H202 V205 T241 M242 L243 A247 L248 V249H202-I245 HydrophobicContact CB-CD1 4.01Å; H202-I245 WeakPolarHBondContact ND1-CD1 3.37Å; H202-I245 VanDerWaalsContact ND1-CG1 3.28Å; H202-I245 WeakPolarHBondContact ND1-CG1 3.33Å; V205-I245 HydrophobicContact CB-CG2 4.29Å; V205-I245 HydrophobicContact CG1-CG2 3.64Å; T241-I245 HydrophobicContact CG2-CD1 4.18Å; T241-I245 VanDerWaalsContact O-CG1 3.28Å; T241-I245 WeakPolarHBondContact O-CG1 3.27Å; T241-I245 PolarHBondContact O-N 2.94Å; M242-I245 WeakPolarHBondContact O-CB 3.13Å; M242-I245 PolarHBondContact O-N 3.16Å; M242-I245 HydrophobicContact SD-CD1 3.7Å; L243-I245 PolarHBondContact O-N 3.04Å; I245-A247 VanDerWaalsContact C-N 3.27Å; I245-A247 PolarHBondContact O-N 3.41Å; I245-L248 WeakPolarHBondContact O-CB 3.39Å; I245-L248 PolarHBondContact O-N 3.31Å; I245-L248 VanDerWaalsContact O-N 3.12Å; I245-V249 WeakPolarHBondContact O-CG2 3.47Å; I245-V249 PolarHBondContact O-N 2.99Å; I245-V249 VanDerWaalsContact O-N 3.14Å
246L92.6Very high90.6Very high4 Ų431.4 Ų31.42%0.02115%0.152CC..Hα-helixtrans-61-37.7177.9-18059000111.7V218 C221 K222 L225 M242 L243 L248 V249 Y250 L262V218-L246 HydrophobicContact CG1-CD1 4.26Å; V218-L246 HydrophobicContact CG2-CD1 4.36Å; C221-L246 HydrophobicContact CB-CB 4.19Å; C221-L246 HydrophobicContact CB-CD1 3.82Å; C221-L246 HydrophobicContact CB-CG 4.41Å; K222-L246 HydrophobicContact CG-CD2 4.37Å; L225-L246 HydrophobicContact CD1-CD2 3.78Å; M242-L246 PolarHBondContact O-N 3.02Å; L243-L246 PolarHBondContact O-N 2.93Å; L246-L248 VanDerWaalsContact C-N 3.32Å; L246-L248 PolarHBondContact O-N 2.99Å; L246-V249 WeakPolarHBondContact O-CB 3.48Å; L246-V249 PolarHBondContact O-N 3.05Å; L246-Y250 HydrophobicContact CD1-CD2 4.39Å; L246-Y250 HydrophobicContact CD1-CE1 4.41Å; L246-Y250 HydrophobicContact CD1-CE2 4Å; L246-Y250 HydrophobicContact CD2-CE2 4.17Å; L246-Y250 HydrophobicContact CG-CD2 4.19Å; L246-Y250 HydrophobicContact CG-CE2 3.9Å; L246-Y250 PolarHBondContact O-N 3.41Å; L246-L262 HydrophobicContact CB-CD1 4.02Å; L246-L262 HydrophobicContact CD2-CD1 3.69Å; L246-L262 HydrophobicContact CD2-CD2 4.36Å; L246-L262 HydrophobicContact CG-CD1 3.55Å
247A92.4Very high90.6Very high1 Ų136.2 Ų36.21%0.00817%0.172CC..Hα-helixtrans-62.9-36.5175.500000113L243 N244 I245 Y250 R251 A259 L262 L263L243-A247 WeakPolarHBondContact O-CB 3.35Å; L243-A247 PolarHBondContact O-N 3.1Å; N244-A247 PolarHBondContact O-N 3.02Å; I245-A247 VanDerWaalsContact C-N 3.27Å; I245-A247 PolarHBondContact O-N 3.41Å; A247-Y250 PolarHBondContact O-N 3.49Å; A247-R251 WeakPolarHBondContact O-CB 3.46Å; A247-R251 PolarHBondContact O-N 3.45Å; A247-A259 HydrophobicContact CB-CB 4.32Å; A247-A259 WeakPolarHBondContact O-CB 3.44Å; A247-L262 HydrophobicContact CB-CB 4.04Å; A247-L262 HydrophobicContact CB-CD1 4.34Å; A247-L263 HydrophobicContact CB-CD1 4.46Å; A247-L263 HydrophobicContact CB-CD2 3.63Å; A247-L263 HydrophobicContact CB-CG 3.63Å
248L89.6Confident90.8Very high50 Ų5038.5 Ų38.526%0.26218%0.179SC..Hα-helixtrans-65.8-41.5173.7-66173.5000111.3N244 I245 L246 Y250 R251 D252N244-L248 WeakPolarHBondContact O-CG 3.25Å; N244-L248 PolarHBondContact O-N 3.02Å; N244-L248 VanDerWaalsContact O-N 3.12Å; I245-L248 WeakPolarHBondContact O-CB 3.39Å; I245-L248 PolarHBondContact O-N 3.31Å; I245-L248 VanDerWaalsContact O-N 3.12Å; L246-L248 VanDerWaalsContact C-N 3.32Å; L246-L248 PolarHBondContact O-N 2.99Å; L248-Y250 VanDerWaalsContact C-N 3.33Å; L248-Y250 PolarHBondContact O-N 3.03Å; L248-R251 WeakPolarHBondContact O-CB 3.2Å; L248-R251 PolarHBondContact O-N 3.07Å; L248-D252 VanDerWaalsContact O-CG 3.29Å; L248-D252 PolarHBondContact O-N 3.5Å
249V91.3Very high91Very high5 Ų538.1 Ų38.13%0.0318%0.177CC..Hα-helixtrans-61.6-41.2175.1178.90000111.1V205 A209 Y214 A217 V218 I245 L246 D252 Q253V205-V249 HydrophobicContact CG1-CG2 3.71Å; A209-V249 HydrophobicContact CB-CG2 4.19Å; Y214-V249 HydrophobicContact CD1-CG1 3.81Å; Y214-V249 HydrophobicContact CE1-CG1 4.31Å; A217-V249 HydrophobicContact CB-CG1 4.3Å; V218-V249 HydrophobicContact CG2-CG1 3.77Å; I245-V249 WeakPolarHBondContact O-CG2 3.47Å; I245-V249 PolarHBondContact O-N 2.99Å; I245-V249 VanDerWaalsContact O-N 3.14Å; L246-V249 WeakPolarHBondContact O-CB 3.48Å; L246-V249 PolarHBondContact O-N 3.05Å; V249-D252 PolarHBondContact O-N 3.02Å; V249-Q253 PolarHBondContact O-N 2.93Å
250Y93.1Very high91.1Very high21 Ų2138.3 Ų38.38%0.08218%0.179CC..Hα-helixtrans-70.7-33174.7-75.8-29.6000113.9V218 K222 L246 A247 L248 D252 Q253 N254 K255 E258 L262V218-Y250 HydrophobicContact CG1-CE1 3.96Å; V218-Y250 WeakPolarHBondContact CG1-OH 3.47Å; V218-Y250 HydrophobicContact CG2-CD1 4.37Å; V218-Y250 HydrophobicContact CG2-CE1 3.84Å; K222-Y250 WeakPolarHBondContact CE-OH 3.33Å; L246-Y250 HydrophobicContact CD1-CD2 4.39Å; L246-Y250 HydrophobicContact CD1-CE1 4.41Å; L246-Y250 HydrophobicContact CD1-CE2 4Å; L246-Y250 HydrophobicContact CD2-CE2 4.17Å; L246-Y250 HydrophobicContact CG-CD2 4.19Å; L246-Y250 HydrophobicContact CG-CE2 3.9Å; L246-Y250 PolarHBondContact O-N 3.41Å; A247-Y250 PolarHBondContact O-N 3.49Å; L248-Y250 VanDerWaalsContact C-N 3.33Å; L248-Y250 PolarHBondContact O-N 3.03Å; Y250-D252 VanDerWaalsContact C-N 3.3Å; Y250-D252 PolarHBondContact O-N 3.37Å; Y250-Q253 CarbonylContact O-C 3.59Å; Y250-Q253 PolarHBondContact O-N 3.33Å; Y250-N254 PolarHBondContact O-N 2.86Å; Y250-K255 HydrophobicContact CD1-CD 4.26Å; Y250-K255 PolarHBondContact O-N 3.35Å; Y250-E258 HydrophobicContact CD2-CB 3.91Å; Y250-E258 HydrophobicContact CE2-CB 4.23Å; Y250-E258 HydrophobicContact CG-CB 4.44Å; Y250-L262 HydrophobicContact CD2-CD1 3.53Å; Y250-L262 HydrophobicContact CE2-CD1 3.69Å
251R90.1Very high91.2Very high83 Ų8344.6 Ų44.631%0.31321%0.208SC..Hα-helixtrans-59-45171.1-178.9-163.470.1-169.8-3.6110.7A247 L248 Q253 N254 Y256 L291A247-R251 WeakPolarHBondContact O-CB 3.46Å; A247-R251 PolarHBondContact O-N 3.45Å; L248-R251 WeakPolarHBondContact O-CB 3.2Å; L248-R251 PolarHBondContact O-N 3.07Å; R251-Q253 VanDerWaalsContact C-N 3.26Å; R251-Q253 PolarHBondContact O-N 2.93Å; R251-N254 WeakPolarHBondContact O-CA 3.2Å; R251-N254 PolarHBondContact O-N 3.14Å; R251-Y256 HydrophobicContact CG-CE1 4.09Å; R251-L291 HydrophobicContact CB-CD2 3.87Å; R251-L291 HydrophobicContact CG-CD2 3.62Å
252D89.7Confident91.4Very high69 Ų6945 Ų4537%0.36921%0.21SC..Hα-helixtrans-70.1-26.4-177.5-62.3-8.8000111.6Y214 L248 V249 Y250 N254Y214-D252 HydrophobicContact CE1-CB 4.19Å; Y214-D252 WeakPolarHBondContact OH-CB 3.46Å; L248-D252 VanDerWaalsContact O-CG 3.29Å; L248-D252 PolarHBondContact O-N 3.5Å; V249-D252 PolarHBondContact O-N 3.02Å; Y250-D252 VanDerWaalsContact C-N 3.3Å; Y250-D252 PolarHBondContact O-N 3.37Å; D252-N254 PolarHBondContact O-N 3.33Å
253Q90.3Very high91.6Very high40 Ų4045.2 Ų45.219%0.18721%0.211CC..THydrogen-bonded Turntrans-77.30.6166.8-69.8173.649.700114.6Y214 V218 V249 Y250 R251 K255Y214-Q253 HydrophobicContact CD1-CG 3.73Å; Y214-Q253 HydrophobicContact CD2-CG 3.75Å; Y214-Q253 HydrophobicContact CE1-CG 4.02Å; Y214-Q253 HydrophobicContact CE2-CG 4.05Å; Y214-Q253 HydrophobicContact CG-CG 3.58Å; V218-Q253 VanDerWaalsContact CG2-NE2 3.29Å; V249-Q253 PolarHBondContact O-N 2.93Å; Y250-Q253 CarbonylContact O-C 3.59Å; Y250-Q253 PolarHBondContact O-N 3.33Å; R251-Q253 VanDerWaalsContact C-N 3.26Å; R251-Q253 PolarHBondContact O-N 2.93Å; Q253-K255 HydrophobicContact CB-CD 4.43Å; Q253-K255 HydrophobicContact CB-CG 4.08Å; Q253-K255 PolarHBondContact O-N 3.45Å; Q253-K255 VanDerWaalsContact OE1-CE 3.28Å
254N90.3Very high91.7Very high106 Ų10648 Ų4857%0.56723%0.226SC*.THydrogen-bonded Turntrans61.419.1-171.9-58.5-76.3000115.1Y250 R251 D252 Y256Y250-N254 PolarHBondContact O-N 2.86Å; R251-N254 WeakPolarHBondContact O-CA 3.2Å; R251-N254 PolarHBondContact O-N 3.14Å; D252-N254 PolarHBondContact O-N 3.33Å; N254-Y256 HydrophobicContact CB-CD2 4.41Å; N254-Y256 HydrophobicContact CB-CE2 3.72Å; N254-Y256 WeakPolarHBondContact O-CD2 3.39Å; N254-Y256 PolarHBondContact O-N 3Å; N254-Y256 PolarHBondContact OD1-OH 3.35Å
255K92.1Very high91.8Very high88 Ų8849.9 Ų49.938%0.38324%0.236SC..  trans-86.763.4175.3-60-173.1-170.9161.30111Y250 Q253 K257 E258 A259Y250-K255 HydrophobicContact CD1-CD 4.26Å; Y250-K255 PolarHBondContact O-N 3.35Å; Q253-K255 HydrophobicContact CB-CD 4.43Å; Q253-K255 HydrophobicContact CB-CG 4.08Å; Q253-K255 PolarHBondContact O-N 3.45Å; Q253-K255 VanDerWaalsContact OE1-CE 3.28Å; K255-K257 VanDerWaalsContact C-N 3.27Å; K255-K257 PolarHBondContact O-N 3.44Å; K255-E258 VanDerWaalsContact CB-OE2 3.25Å; K255-E258 WeakPolarHBondContact CB-OE2 3.44Å; K255-E258 WeakPolarHBondContact CD-OE2 3.31Å; K255-E258 PolarHBondContact O-N 3.23Å; K255-A259 PolarHBondContact O-N 2.91Å; K255-A259 VanDerWaalsContact O-N 3.12Å
256Y90.3Very high92Very high53 Ų5349.6 Ų49.621%0.20823%0.234CC..Hα-helixtrans-64.8-23.7-171.3-59.5-76.8000114.9R251 N254 A260 L291 K294 R295R251-Y256 HydrophobicContact CG-CE1 4.09Å; N254-Y256 HydrophobicContact CB-CD2 4.41Å; N254-Y256 HydrophobicContact CB-CE2 3.72Å; N254-Y256 WeakPolarHBondContact O-CD2 3.39Å; N254-Y256 PolarHBondContact O-N 3Å; N254-Y256 PolarHBondContact OD1-OH 3.35Å; Y256-A260 WeakPolarHBondContact O-CB 3.33Å; Y256-A260 PolarHBondContact O-N 3.4Å; Y256-A260 VanDerWaalsContact O-N 3.14Å; Y256-L291 HydrophobicContact CD1-CD2 3.82Å; Y256-L291 HydrophobicContact CE1-CD2 4.42Å; Y256-K294 HydrophobicContact CD1-CB 4.2Å; Y256-K294 HydrophobicContact CE1-CB 3.75Å; Y256-K294 HydrophobicContact CE1-CG 4.21Å; Y256-R295 HydrophobicContact CD2-CG 4.47Å; Y256-R295 HydrophobicContact CG-CG 4.06Å
257K89.5Confident92.1Very high153 Ų15350 Ų5067%0.66524%0.237SC*.Hα-helixtrans-70.5-49.1177.8-69.1-176.8-177.4179.50111.2K255 A260 H261K255-K257 VanDerWaalsContact C-N 3.27Å; K255-K257 PolarHBondContact O-N 3.44Å; K257-A260 PolarHBondContact O-N 3.13Å; K257-H261 PolarHBondContact O-N 3.02Å; K257-H261 VanDerWaalsContact O-N 3.09Å
258E91.1Very high92.2Very high91 Ų9152 Ų5243%0.42525%0.253SS..Hα-helixtrans-65.5-44.3178.9-65.8149.8-155.300110.5Y250 K255 A260 H261 L262Y250-E258 HydrophobicContact CD2-CB 3.91Å; Y250-E258 HydrophobicContact CE2-CB 4.23Å; Y250-E258 HydrophobicContact CG-CB 4.44Å; K255-E258 VanDerWaalsContact CB-OE2 3.25Å; K255-E258 WeakPolarHBondContact CB-OE2 3.44Å; K255-E258 WeakPolarHBondContact CD-OE2 3.31Å; K255-E258 PolarHBondContact O-N 3.23Å; E258-A260 VanDerWaalsContact C-N 3.3Å; E258-A260 PolarHBondContact O-N 3.16Å; E258-H261 WeakPolarHBondContact O-CB 3.25Å; E258-H261 PolarHBondContact O-N 3.42Å; E258-H261 VanDerWaalsContact O-N 3.15Å; E258-L262 WeakPolarHBondContact O-CG 3.31Å; E258-L262 PolarHBondContact O-N 2.86Å
259A93.5Very high92.4Very high0 Ų049.7 Ų49.70%024%0.24CC..Hα-helixtrans-58.1-40.8174.700000112.6A247 K255 L263 L291A247-A259 HydrophobicContact CB-CB 4.32Å; A247-A259 WeakPolarHBondContact O-CB 3.44Å; K255-A259 PolarHBondContact O-N 2.91Å; K255-A259 VanDerWaalsContact O-N 3.12Å; A259-L263 WeakPolarHBondContact O-CG 3.4Å; A259-L263 PolarHBondContact O-N 3.09Å; A259-L291 HydrophobicContact CB-CD1 3.73Å; A259-L291 HydrophobicContact CB-CD2 4.15Å
260A91.7Very high92.4Very high4 Ų449.9 Ų49.93%0.03324%0.241CC..Hα-helixtrans-68.6-35.8177.600000112.4Y256 K257 E258 N264 L288 L291 Y292Y256-A260 WeakPolarHBondContact O-CB 3.33Å; Y256-A260 PolarHBondContact O-N 3.4Å; Y256-A260 VanDerWaalsContact O-N 3.14Å; K257-A260 PolarHBondContact O-N 3.13Å; E258-A260 VanDerWaalsContact C-N 3.3Å; E258-A260 PolarHBondContact O-N 3.16Å; A260-N264 PolarHBondContact O-N 2.77Å; A260-N264 PolarHBondContact O-ND2 3.38Å; A260-L288 HydrophobicContact CB-CD2 4.5Å; A260-L291 HydrophobicContact CB-CD1 4.42Å; A260-Y292 HydrophobicContact CB-CE1 4Å
261H93.4Very high92.4Very high133 Ų13351.2 Ų51.262%0.61625%0.248SC*.Hα-helixtrans-62.2-50.4174.6-173.5-76.5000110.9K257 E258 L263 N264 D265K257-H261 PolarHBondContact O-N 3.02Å; K257-H261 VanDerWaalsContact O-N 3.09Å; E258-H261 WeakPolarHBondContact O-CB 3.25Å; E258-H261 PolarHBondContact O-N 3.42Å; E258-H261 VanDerWaalsContact O-N 3.15Å; H261-L263 VanDerWaalsContact C-N 3.32Å; H261-L263 PolarHBondContact O-N 2.91Å; H261-N264 PolarHBondContact O-N 2.96Å; H261-D265 PolarHBondContact O-N 2.97Å
262L94.7Very high92.6Very high24 Ų2454 Ų5413%0.12626%0.262CS..Hα-helixtrans-61.1-38.3179.2-64.8175.9000113.1L243 L246 A247 Y250 E258 D265 A266L243-L262 HydrophobicContact CD2-CD2 3.64Å; L246-L262 HydrophobicContact CB-CD1 4.02Å; L246-L262 HydrophobicContact CD2-CD1 3.69Å; L246-L262 HydrophobicContact CD2-CD2 4.36Å; L246-L262 HydrophobicContact CG-CD1 3.55Å; A247-L262 HydrophobicContact CB-CB 4.04Å; A247-L262 HydrophobicContact CB-CD1 4.34Å; Y250-L262 HydrophobicContact CD2-CD1 3.53Å; Y250-L262 HydrophobicContact CE2-CD1 3.69Å; E258-L262 WeakPolarHBondContact O-CG 3.31Å; E258-L262 PolarHBondContact O-N 2.86Å; L262-D265 PolarHBondContact O-N 3.38Å; L262-A266 WeakPolarHBondContact O-CB 3.4Å; L262-A266 PolarHBondContact O-N 3.01Å
263L94.1Very high92.6Very high4 Ų453.5 Ų53.52%0.02126%0.261CS..Hα-helixtrans-73.7-30.5177-72-172000113.5N244 A247 A259 H261 D265 L267 T284 N287 L288 L291N244-L263 HydrophobicContact CB-CD2 4.06Å; N244-L263 WeakPolarHBondContact OD1-CD2 3.45Å; A247-L263 HydrophobicContact CB-CD1 4.46Å; A247-L263 HydrophobicContact CB-CD2 3.63Å; A247-L263 HydrophobicContact CB-CG 3.63Å; A259-L263 WeakPolarHBondContact O-CG 3.4Å; A259-L263 PolarHBondContact O-N 3.09Å; H261-L263 VanDerWaalsContact C-N 3.32Å; H261-L263 PolarHBondContact O-N 2.91Å; L263-D265 VanDerWaalsContact C-N 3.31Å; L263-L267 VanDerWaalsContact O-CB 3.25Å; L263-L267 WeakPolarHBondContact O-CB 3.47Å; L263-L267 PolarHBondContact O-N 3.49Å; L263-T284 HydrophobicContact CB-CG2 4.36Å; L263-T284 HydrophobicContact CD2-CG2 4.38Å; L263-T284 WeakPolarHBondContact O-CG2 3.34Å; L263-N287 HydrophobicContact CD1-CB 3.58Å; L263-L288 HydrophobicContact CB-CD1 4.25Å; L263-L288 HydrophobicContact CB-CD2 3.42Å; L263-L288 VanDerWaalsContact CB-CD2 3.42Å; L263-L288 HydrophobicContact CB-CG 3.61Å; L263-L288 HydrophobicContact CD1-CD2 4.16Å; L263-L288 HydrophobicContact CD1-CG 4.04Å; L263-L288 HydrophobicContact CG-CD2 4.42Å; L263-L291 HydrophobicContact CD1-CD1 3.49Å; L263-L291 VanDerWaalsContact CD1-CD1 3.49Å; L263-L291 HydrophobicContact CD1-CG 4.34Å; L263-L291 HydrophobicContact CG-CD1 4.26Å
264N94.3Very high92.4Very high66 Ų6654.8 Ų54.835%0.35327%0.269SS..Hα-helixtrans-66.5-39.2172-82.3-60.1000110.8A260 H261 L267 A268A260-N264 PolarHBondContact O-N 2.77Å; A260-N264 PolarHBondContact O-ND2 3.38Å; H261-N264 PolarHBondContact O-N 2.96Å; N264-L267 WeakPolarHBondContact O-CB 3.32Å; N264-L267 PolarHBondContact O-N 3.22Å; N264-A268 PolarHBondContact O-N 3.12Å
265D94.4Very high92.4Very high46 Ų4651.2 Ų51.225%0.24626%0.258CS..Hα-helixtrans-64.3-49.6174.8-164.626.4000111.5H234 L243 H261 L262 L263 L267 A268 I269H234-D265 IonicContact CE1-OD1 2.8Å; H234-D265 IonicContact CE1-OD2 3.13Å; H234-D265 PolarHBondContact CE1-OD2 2.96Å; H234-D265 IonicContact NE2-OD1 3.12Å; H234-D265 PolarHBondContact NE2-OD1 3.05Å; H234-D265 IonicContact NE2-OD2 2.67Å; L243-D265 HydrophobicContact CD1-CB 4.2Å; L243-D265 WeakPolarHBondContact CD1-OD2 3.27Å; H261-D265 PolarHBondContact O-N 2.97Å; L262-D265 PolarHBondContact O-N 3.38Å; L263-D265 VanDerWaalsContact C-N 3.31Å; D265-L267 PolarHBondContact O-N 3.38Å; D265-A268 PolarHBondContact O-N 3.01Å; D265-A268 VanDerWaalsContact O-N 3.1Å; D265-I269 WeakPolarHBondContact O-CG1 3.22Å; D265-I269 PolarHBondContact O-N 3.15Å
266A94.1Very high92.3Very high0 Ų053.9 Ų53.90%027%0.269CS..Hα-helixtrans-59.1-33.2173.500000113.3A240 L243 L262 R270A240-A266 HydrophobicContact CB-CB 4.17Å; L243-A266 HydrophobicContact CB-CB 3.95Å; L243-A266 HydrophobicContact CD1-CB 4.38Å; L262-A266 WeakPolarHBondContact O-CB 3.4Å; L262-A266 PolarHBondContact O-N 3.01Å; A266-R270 WeakPolarHBondContact O-CB 3.49Å; A266-R270 WeakPolarHBondContact O-CD 3.13Å; A266-R270 WeakPolarHBondContact O-CG 3.32Å; A266-R270 PolarHBondContact O-N 3.47Å
267L93.9Very high92.2Very high14 Ų1455.2 Ų55.27%0.07328%0.28CS..Hα-helixtrans-67-47.1175.1-179.368.5000110.7L263 N264 D265 I269 R270 E271 V281 T284 L285 L288L263-L267 VanDerWaalsContact O-CB 3.25Å; L263-L267 WeakPolarHBondContact O-CB 3.47Å; L263-L267 PolarHBondContact O-N 3.49Å; N264-L267 WeakPolarHBondContact O-CB 3.32Å; N264-L267 PolarHBondContact O-N 3.22Å; D265-L267 PolarHBondContact O-N 3.38Å; L267-I269 VanDerWaalsContact C-N 3.34Å; L267-I269 PolarHBondContact O-N 2.83Å; L267-R270 PolarHBondContact O-N 3.03Å; L267-E271 HydrophobicContact CD1-CG 4.31Å; L267-E271 HydrophobicContact CG-CG 4.41Å; L267-E271 WeakPolarHBondContact O-CB 3.37Å; L267-E271 WeakPolarHBondContact O-CG 3.47Å; L267-E271 PolarHBondContact O-N 3.22Å; L267-V281 HydrophobicContact CD1-CG1 3.77Å; L267-T284 HydrophobicContact CB-CG2 3.84Å; L267-T284 HydrophobicContact CD1-CG2 4.24Å; L267-L285 HydrophobicContact CD1-CD2 3.96Å; L267-L285 HydrophobicContact CD1-CG 3.83Å; L267-L285 HydrophobicContact CD2-CD2 3.72Å; L267-L288 HydrophobicContact CB-CD1 4.43Å; L267-L288 HydrophobicContact CD2-CD1 3.98Å
268A94.4Very high92.2Very high42 Ų4251.3 Ų51.335%0.34726%0.264SS..Hα-helixtrans-59.4-45.2178.700000111.5N264 D265 E271 K272N264-A268 PolarHBondContact O-N 3.12Å; D265-A268 PolarHBondContact O-N 3.01Å; D265-A268 VanDerWaalsContact O-N 3.1Å; A268-E271 PolarHBondContact O-N 3.03Å; A268-K272 WeakPolarHBondContact O-CG 3.43Å; A268-K272 PolarHBondContact O-N 3.36Å; A268-K272 VanDerWaalsContact O-N 3.12Å
269I93.4Very high92Very high1 Ų149.2 Ų49.21%0.00526%0.258CS..Hα-helixtrans-61.7-46.9176.2-63162.7000110.8H234 V239 A240 L243 D265 L267 E271 K272 T273H234-I269 VanDerWaalsContact O-CD1 3.31Å; H234-I269 WeakPolarHBondContact O-CD1 3.35Å; V239-I269 HydrophobicContact CG1-CD1 4.13Å; A240-I269 HydrophobicContact CB-CB 4.03Å; A240-I269 HydrophobicContact CB-CG2 3.86Å; L243-I269 HydrophobicContact CD1-CD1 3.71Å; D265-I269 WeakPolarHBondContact O-CG1 3.22Å; D265-I269 PolarHBondContact O-N 3.15Å; L267-I269 VanDerWaalsContact C-N 3.34Å; L267-I269 PolarHBondContact O-N 2.83Å; I269-E271 PolarHBondContact O-N 3.4Å; I269-K272 PolarHBondContact O-N 3.28Å; I269-T273 HydrophobicContact CG2-CG2 4.28Å; I269-T273 WeakPolarHBondContact O-CB 3.49Å; I269-T273 WeakPolarHBondContact O-CG2 3.42Å; I269-T273 PolarHBondContact O-N 3.16Å; I269-T273 PolarHBondContact O-OG1 2.95Å
270R92.7Very high91.7Very high9 Ų949.7 Ų49.73%0.03426%0.262CS..Hα-helixtrans-65.3-37.4-179.8-75.6171.3178.4-167.7-3112.8A240 A266 L267 T273 L274 A280 V281 T284A240-R270 HydrophobicContact CB-CG 3.78Å; A266-R270 WeakPolarHBondContact O-CB 3.49Å; A266-R270 WeakPolarHBondContact O-CD 3.13Å; A266-R270 WeakPolarHBondContact O-CG 3.32Å; A266-R270 PolarHBondContact O-N 3.47Å; L267-R270 PolarHBondContact O-N 3.03Å; R270-T273 WeakPolarHBondContact CA-OG1 3.3Å; R270-T273 PolarHBondContact O-OG1 2.9Å; R270-L274 HydrophobicContact CB-CD1 4.31Å; R270-L274 HydrophobicContact CG-CD1 4.13Å; R270-L274 WeakPolarHBondContact O-CB 3.37Å; R270-L274 PolarHBondContact O-N 3.4Å; R270-A280 PolarHBondContact NH1-O 3.34Å; R270-V281 HydrophobicContact CB-CG2 3.89Å; R270-T284 WeakPolarHBondContact CD-OG1 3.35Å; R270-T284 PolarHBondContact NH1-OG1 3.25Å
271E93Very high91.7Very high50 Ų5049.5 Ų49.523%0.23426%0.26CS..Hα-helixtrans-66.5-38.8176.5-75.4-177.5-177.900112.4L267 A268 I269 G275 V281 R307L267-E271 HydrophobicContact CD1-CG 4.31Å; L267-E271 HydrophobicContact CG-CG 4.41Å; L267-E271 WeakPolarHBondContact O-CB 3.37Å; L267-E271 WeakPolarHBondContact O-CG 3.47Å; L267-E271 PolarHBondContact O-N 3.22Å; A268-E271 PolarHBondContact O-N 3.03Å; I269-E271 PolarHBondContact O-N 3.4Å; E271-G275 VanDerWaalsContact O-CA 3.28Å; E271-G275 WeakPolarHBondContact O-CA 3.33Å; E271-G275 PolarHBondContact O-N 3.25Å; E271-V281 HydrophobicContact CG-CG1 4.04Å; E271-V281 HydrophobicContact CG-CG2 4.11Å; E271-R307 IonicContact OE1-CZ 2.85Å; E271-R307 IonicContact OE1-NH1 3.48Å; E271-R307 PolarHBondContact OE1-NH1 3.34Å; E271-R307 IonicContact OE1-NH2 2.69Å; E271-R307 PolarHBondContact OE1-NH2 2.88Å
272K92.6Very high91.6Very high141 Ų14143.1 Ų43.161%0.61323%0.231SC*.Hα-helixtrans-69.4-43.1175.9-71.3178.4-174.5174.30112.5D235 A268 I269D235-K272 IonicContact OD1-NZ 2.62Å; D235-K272 PolarHBondContact OD1-NZ 3.25Å; D235-K272 IonicContact OD2-NZ 3.79Å; D235-K272 PolarHBondContact OD2-NZ 2.94Å; D235-K272 VanDerWaalsContact OD2-NZ 3.11Å; A268-K272 WeakPolarHBondContact O-CG 3.43Å; A268-K272 PolarHBondContact O-N 3.36Å; A268-K272 VanDerWaalsContact O-N 3.12Å; I269-K272 PolarHBondContact O-N 3.28Å
273T90.4Very high91.3Very high58 Ų5842.1 Ų42.136%0.35623%0.226SC..Hα-helixtrans-84.2-43.4-171.748.70000113.9D235 I269 R270D235-T273 WeakPolarHBondContact O-CG2 3.39Å; I269-T273 HydrophobicContact CG2-CG2 4.28Å; I269-T273 WeakPolarHBondContact O-CB 3.49Å; I269-T273 WeakPolarHBondContact O-CG2 3.42Å; I269-T273 PolarHBondContact O-N 3.16Å; I269-T273 PolarHBondContact O-OG1 2.95Å; R270-T273 WeakPolarHBondContact CA-OG1 3.3Å; R270-T273 PolarHBondContact O-OG1 2.9Å
274L87.3Confident91.2Very high67 Ų6741.9 Ų41.935%0.35123%0.225SC..Hα-helixtrans-106.8-11.8-171.6-60161.2000112.3R270 H278 A280R270-L274 HydrophobicContact CB-CD1 4.31Å; R270-L274 HydrophobicContact CG-CD1 4.13Å; R270-L274 WeakPolarHBondContact O-CB 3.37Å; R270-L274 PolarHBondContact O-N 3.4Å; L274-H278 HydrophobicContact CB-CB 3.77Å; L274-A280 HydrophobicContact CD1-CB 3.9Å
275G89.8Confident91.1Very high31 Ų3138.8 Ų38.832%0.3221%0.208SC..  trans86.9162-175.400000113.6E271 D277 H278 V281E271-G275 VanDerWaalsContact O-CA 3.28Å; E271-G275 WeakPolarHBondContact O-CA 3.33Å; E271-G275 PolarHBondContact O-N 3.25Å; G275-D277 VanDerWaalsContact C-N 3.35Å; G275-D277 PolarHBondContact O-N 3.01Å; G275-H278 PolarHBondContact O-N 3.39Å; G275-V281 WeakPolarHBondContact O-CG2 3.35Å
276K89.6Confident91Very high144 Ų14437.6 Ų37.663%0.62620%0.202SC*.THydrogen-bonded Turntrans-70.4-24.6-169.3-65.1178.2-178.5176.20114.9I311K276-I311 VanDerWaalsContact O-CD1 3.25Å; K276-I311 WeakPolarHBondContact O-CD1 3.29Å
277D89.2Confident90.8Very high81 Ų8139 Ų3943%0.43321%0.209SC..THydrogen-bonded Turntrans-100.113.2-178.4-67.8-61.9000112.8G275 I311 K314 V315G275-D277 VanDerWaalsContact C-N 3.35Å; G275-D277 PolarHBondContact O-N 3.01Å; D277-I311 WeakPolarHBondContact O-CG2 3.33Å; D277-K314 IonicContact OD1-NZ 2.68Å; D277-K314 PolarHBondContact OD1-NZ 2.92Å; D277-K314 IonicContact OD2-NZ 3.73Å; D277-V315 WeakPolarHBondContact O-CG2 3.49Å
278H88.1Confident90.7Very high71 Ų7138.3 Ų38.333%0.32921%0.206SC..  trans-75.6143.3-179-167.7-94.5000112.6L274 G275 A280 V281 A282L274-H278 HydrophobicContact CB-CB 3.77Å; G275-H278 PolarHBondContact O-N 3.39Å; H278-A280 VanDerWaalsContact ND1-CB 3.29Å; H278-A280 WeakPolarHBondContact ND1-CB 3.47Å; H278-A280 PolarHBondContact ND1-N 3.01Å; H278-A280 VanDerWaalsContact ND1-N 3.11Å; H278-A280 PolarHBondContact O-N 3Å; H278-A280 VanDerWaalsContact O-N 3.16Å; H278-V281 HydrophobicContact CB-CG2 4.32Å; H278-V281 WeakPolarHBondContact O-CB 3.48Å; H278-V281 PolarHBondContact O-N 3.35Å; H278-A282 PolarHBondContact O-N 2.68Å
279P87.6Confident90.6Very high47 Ų4736.4 Ų36.431%0.30519%0.19SC..Hα-helixtrans-53.6-36.2177.1-30.937.4000114.8V281 A282 A283 V315P279-V281 VanDerWaalsContact C-N 3.29Å; P279-V281 PolarHBondContact O-N 3.31Å; P279-A282 WeakPolarHBondContact O-CB 3.43Å; P279-A282 PolarHBondContact O-N 2.92Å; P279-A283 WeakPolarHBondContact O-CB 3.42Å; P279-A283 PolarHBondContact O-N 3.39Å; P279-V315 HydrophobicContact CG-CB 4.44Å; P279-V315 HydrophobicContact CG-CG1 3.79Å; P279-V315 HydrophobicContact CG-CG2 4.42Å
280A86.8Confident90.3Very high10 Ų1039 Ų398%0.08321%0.205CC..Hα-helixtrans-63.7-32.7176.600000112.8R270 L274 H278 A283 T284R270-A280 PolarHBondContact NH1-O 3.34Å; L274-A280 HydrophobicContact CD1-CB 3.9Å; H278-A280 VanDerWaalsContact ND1-CB 3.29Å; H278-A280 WeakPolarHBondContact ND1-CB 3.47Å; H278-A280 PolarHBondContact ND1-N 3.01Å; H278-A280 VanDerWaalsContact ND1-N 3.11Å; H278-A280 PolarHBondContact O-N 3Å; H278-A280 VanDerWaalsContact O-N 3.16Å; A280-A283 PolarHBondContact O-N 3.4Å; A280-T284 PolarHBondContact O-N 3.48Å; A280-T284 PolarHBondContact O-OG1 3.35Å; A280-T284 VanDerWaalsContact O-OG1 3.05Å
281V91.4Very high90.2Very high0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-68-46.8174.1172.70000109.8L267 R270 E271 G275 H278 P279 A283 T284 L285 I311L267-V281 HydrophobicContact CD1-CG1 3.77Å; R270-V281 HydrophobicContact CB-CG2 3.89Å; E271-V281 HydrophobicContact CG-CG1 4.04Å; E271-V281 HydrophobicContact CG-CG2 4.11Å; G275-V281 WeakPolarHBondContact O-CG2 3.35Å; H278-V281 HydrophobicContact CB-CG2 4.32Å; H278-V281 WeakPolarHBondContact O-CB 3.48Å; H278-V281 PolarHBondContact O-N 3.35Å; P279-V281 VanDerWaalsContact C-N 3.29Å; P279-V281 PolarHBondContact O-N 3.31Å; V281-A283 PolarHBondContact O-N 2.91Å; V281-T284 PolarHBondContact O-N 2.95Å; V281-L285 HydrophobicContact CG1-CD1 3.92Å; V281-L285 HydrophobicContact CG1-CG 4.37Å; V281-L285 WeakPolarHBondContact O-CB 3.3Å; V281-L285 VanDerWaalsContact O-CG 3.31Å; V281-L285 WeakPolarHBondContact O-CG 3.36Å; V281-L285 PolarHBondContact O-N 2.86Å; V281-I311 HydrophobicContact CG1-CD1 4.1Å
282A91.4Very high90.1Very high0 Ų038.1 Ų38.10%020%0.201CC..Hα-helixtrans-58-36.4174.600000112.2H278 P279 N286 A308 I311 R312H278-A282 PolarHBondContact O-N 2.68Å; P279-A282 WeakPolarHBondContact O-CB 3.43Å; P279-A282 PolarHBondContact O-N 2.92Å; A282-N286 WeakPolarHBondContact O-CB 3.25Å; A282-N286 PolarHBondContact O-N 3.21Å; A282-A308 HydrophobicContact CB-CB 4.25Å; A282-A308 WeakPolarHBondContact O-CB 3.35Å; A282-I311 HydrophobicContact CB-CB 3.97Å; A282-I311 HydrophobicContact CB-CD1 4.43Å; A282-I311 HydrophobicContact CB-CG2 3.78Å; A282-R312 HydrophobicContact CB-CG 4.1Å
283A88.8Confident89.8Confident2 Ų231.9 Ų31.92%0.01718%0.177CC..Hα-helixtrans-68.8-43.5178.400000112.4Y192 P279 A280 V281 N286 N287Y192-A283 HydrophobicContact CD2-CB 4.43Å; Y192-A283 HydrophobicContact CE1-CB 4.13Å; Y192-A283 HydrophobicContact CE2-CB 3.54Å; Y192-A283 WeakPolarHBondContact OH-CB 3.29Å; Y192-A283 PolarHBondContact OH-O 3.11Å; P279-A283 WeakPolarHBondContact O-CB 3.42Å; P279-A283 PolarHBondContact O-N 3.39Å; A280-A283 PolarHBondContact O-N 3.4Å; V281-A283 PolarHBondContact O-N 2.91Å; A283-N286 PolarHBondContact O-N 2.71Å; A283-N287 PolarHBondContact O-N 3.14Å; A283-N287 VanDerWaalsContact O-N 3.09Å
284T91.1Very high89.6Confident0 Ų036 Ų360%019%0.19CC..Hα-helixtrans-62.7-45.6173.5-49.50000111.8L263 L267 R270 A280 V281 N286 N287 L288L263-T284 HydrophobicContact CB-CG2 4.36Å; L263-T284 HydrophobicContact CD2-CG2 4.38Å; L263-T284 WeakPolarHBondContact O-CG2 3.34Å; L267-T284 HydrophobicContact CB-CG2 3.84Å; L267-T284 HydrophobicContact CD1-CG2 4.24Å; R270-T284 WeakPolarHBondContact CD-OG1 3.35Å; R270-T284 PolarHBondContact NH1-OG1 3.25Å; A280-T284 PolarHBondContact O-N 3.48Å; A280-T284 PolarHBondContact O-OG1 3.35Å; A280-T284 VanDerWaalsContact O-OG1 3.05Å; V281-T284 PolarHBondContact O-N 2.95Å; T284-N286 VanDerWaalsContact C-N 3.3Å; T284-N286 PolarHBondContact O-N 2.76Å; T284-N287 PolarHBondContact O-N 3.09Å; T284-N287 VanDerWaalsContact O-N 3.14Å; T284-L288 HydrophobicContact CG2-CD1 4.37Å; T284-L288 PolarHBondContact O-N 2.85Å
285L93.7Very high89.6Confident0 Ų037.1 Ų37.10%019%0.189CC..Hα-helixtrans-58.4-41.9177.6-74.6170.3000111.7L267 V281 L288 A289 L304 R307 A308 I311L267-L285 HydrophobicContact CD1-CD2 3.96Å; L267-L285 HydrophobicContact CD1-CG 3.83Å; L267-L285 HydrophobicContact CD2-CD2 3.72Å; V281-L285 HydrophobicContact CG1-CD1 3.92Å; V281-L285 HydrophobicContact CG1-CG 4.37Å; V281-L285 WeakPolarHBondContact O-CB 3.3Å; V281-L285 VanDerWaalsContact O-CG 3.31Å; V281-L285 WeakPolarHBondContact O-CG 3.36Å; V281-L285 PolarHBondContact O-N 2.86Å; L285-L288 PolarHBondContact O-N 2.86Å; L285-A289 WeakPolarHBondContact O-CB 3.29Å; L285-A289 PolarHBondContact O-N 3.18Å; L285-L304 HydrophobicContact CD2-CB 4.41Å; L285-L304 HydrophobicContact CD2-CD2 3.74Å; L285-R307 HydrophobicContact CD1-CB 4.22Å; L285-R307 HydrophobicContact CD1-CG 3.81Å; L285-A308 HydrophobicContact CB-CB 3.83Å; L285-A308 HydrophobicContact CD1-CB 4.4Å; L285-I311 HydrophobicContact CD1-CD1 3.91Å
286N91.4Very high89.4Confident21 Ų2137.5 Ų37.511%0.11219%0.193CC..Hα-helixtrans-64.9-41.9175.3-177.763.9000112.2A282 A283 T284 L288 A289 V290 Q326 N329A282-N286 WeakPolarHBondContact O-CB 3.25Å; A282-N286 PolarHBondContact O-N 3.21Å; A283-N286 PolarHBondContact O-N 2.71Å; T284-N286 VanDerWaalsContact C-N 3.3Å; T284-N286 PolarHBondContact O-N 2.76Å; N286-L288 PolarHBondContact O-N 3.4Å; N286-A289 PolarHBondContact O-N 2.9Å; N286-V290 WeakPolarHBondContact O-CG2 3.39Å; N286-V290 PolarHBondContact O-N 3.27Å; N286-Q326 PolarHBondContact OD1-OE1 3.28Å; N286-N329 PolarHBondContact OD1-ND2 3.49Å
287N90.6Very high89.5Confident30 Ų3034.1 Ų34.116%0.1618%0.179CC..Hα-helixtrans-62.9-41.8175.8-72.5-13.8000111.8Y192 N244 L263 A283 T284 V290 L291Y192-N287 PolarHBondContact OH-ND2 3.4Å; N244-N287 PolarHBondContact OD1-ND2 2.74Å; N244-N287 VanDerWaalsContact OD1-ND2 3.08Å; L263-N287 HydrophobicContact CD1-CB 3.58Å; A283-N287 PolarHBondContact O-N 3.14Å; A283-N287 VanDerWaalsContact O-N 3.09Å; T284-N287 PolarHBondContact O-N 3.09Å; T284-N287 VanDerWaalsContact O-N 3.14Å; N287-V290 PolarHBondContact O-N 2.68Å; N287-L291 WeakPolarHBondContact O-CG 3.3Å; N287-L291 PolarHBondContact O-N 2.82Å
288L92.1Very high89.5Confident0 Ų033.5 Ų33.50%017%0.17CC..Hα-helixtrans-60.4-46.1173.6-81.3167.7000112.1A260 L263 L267 T284 L285 N286 V290 L291 Y292 L304A260-L288 HydrophobicContact CB-CD2 4.5Å; L263-L288 HydrophobicContact CB-CD1 4.25Å; L263-L288 HydrophobicContact CB-CD2 3.42Å; L263-L288 VanDerWaalsContact CB-CD2 3.42Å; L263-L288 HydrophobicContact CB-CG 3.61Å; L263-L288 HydrophobicContact CD1-CD2 4.16Å; L263-L288 HydrophobicContact CD1-CG 4.04Å; L263-L288 HydrophobicContact CG-CD2 4.42Å; L267-L288 HydrophobicContact CB-CD1 4.43Å; L267-L288 HydrophobicContact CD2-CD1 3.98Å; T284-L288 HydrophobicContact CG2-CD1 4.37Å; T284-L288 PolarHBondContact O-N 2.85Å; L285-L288 PolarHBondContact O-N 2.86Å; N286-L288 PolarHBondContact O-N 3.4Å; L288-V290 VanDerWaalsContact C-N 3.3Å; L288-V290 PolarHBondContact O-N 3.31Å; L288-L291 WeakPolarHBondContact O-CB 3.28Å; L288-L291 PolarHBondContact O-N 3.2Å; L288-L291 VanDerWaalsContact O-N 3.14Å; L288-Y292 PolarHBondContact O-N 3.14Å; L288-L304 HydrophobicContact CB-CD1 3.99Å
289A91.3Very high89.5Confident1 Ų138.5 Ų38.51%0.00819%0.191CC..Hα-helixtrans-59.4-40.8177.600000111.8L285 N286 Y292 G293 A301 L304 C305 L333L285-A289 WeakPolarHBondContact O-CB 3.29Å; L285-A289 PolarHBondContact O-N 3.18Å; N286-A289 PolarHBondContact O-N 2.9Å; A289-Y292 PolarHBondContact O-N 3.06Å; A289-G293 PolarHBondContact O-N 3.18Å; A289-A301 HydrophobicContact CB-CB 4.33Å; A289-A301 WeakPolarHBondContact O-CB 3.48Å; A289-L304 HydrophobicContact CB-CB 4.28Å; A289-C305 HydrophobicContact CB-CB 4.03Å; A289-L333 HydrophobicContact CB-CD1 4.38Å
290V88.4Confident89.6Confident55 Ų5540.5 Ų40.533%0.33320%0.197SC..Hα-helixtrans-64.7-42.1175.1172.60000111.5N286 N287 L288 G293 K294N286-V290 WeakPolarHBondContact O-CG2 3.39Å; N286-V290 PolarHBondContact O-N 3.27Å; N287-V290 PolarHBondContact O-N 2.68Å; L288-V290 VanDerWaalsContact C-N 3.3Å; L288-V290 PolarHBondContact O-N 3.31Å; V290-G293 PolarHBondContact O-N 2.95Å; V290-K294 WeakPolarHBondContact O-CG 3.35Å; V290-K294 PolarHBondContact O-N 3.43Å
291L89.3Confident89.8Confident5 Ų540 Ų403%0.02619%0.193CC..Hα-helixtrans-62.1-45.2176.2-70.9180000111.9R251 Y256 A259 A260 L263 N287 L288 K294 R295R251-L291 HydrophobicContact CB-CD2 3.87Å; R251-L291 HydrophobicContact CG-CD2 3.62Å; Y256-L291 HydrophobicContact CD1-CD2 3.82Å; Y256-L291 HydrophobicContact CE1-CD2 4.42Å; A259-L291 HydrophobicContact CB-CD1 3.73Å; A259-L291 HydrophobicContact CB-CD2 4.15Å; A260-L291 HydrophobicContact CB-CD1 4.42Å; L263-L291 HydrophobicContact CD1-CD1 3.49Å; L263-L291 VanDerWaalsContact CD1-CD1 3.49Å; L263-L291 HydrophobicContact CD1-CG 4.34Å; L263-L291 HydrophobicContact CG-CD1 4.26Å; N287-L291 WeakPolarHBondContact O-CG 3.3Å; N287-L291 PolarHBondContact O-N 2.82Å; L288-L291 WeakPolarHBondContact O-CB 3.28Å; L288-L291 PolarHBondContact O-N 3.2Å; L288-L291 VanDerWaalsContact O-N 3.14Å; L291-K294 PolarHBondContact O-N 2.96Å; L291-R295 WeakPolarHBondContact O-CG 3.48Å; L291-R295 PolarHBondContact O-N 3.45Å; L291-R295 VanDerWaalsContact O-N 3.16Å
292Y90.4Very high89.7Confident36 Ų3641 Ų4114%0.14120%0.197CC..Hα-helixtrans-66.4-38.2176.1-72.2-24.5000112.3A260 L288 A289 K294 R295 G296 K297 E300 L304A260-Y292 HydrophobicContact CB-CE1 4Å; L288-Y292 PolarHBondContact O-N 3.14Å; A289-Y292 PolarHBondContact O-N 3.06Å; Y292-K294 PolarHBondContact O-N 3.34Å; Y292-R295 CarbonylContact O-C 3.57Å; Y292-R295 PolarHBondContact O-N 3.43Å; Y292-R295 VanDerWaalsContact O-N 3.13Å; Y292-G296 PolarHBondContact O-N 2.94Å; Y292-K297 PolarHBondContact O-N 2.93Å; Y292-E300 HydrophobicContact CD2-CB 4.08Å; Y292-E300 HydrophobicContact CE2-CB 4.44Å; Y292-L304 HydrophobicContact CD2-CD1 3.72Å; Y292-L304 HydrophobicContact CE2-CD1 3.68Å
293G86.8Confident89.8Confident11 Ų1144.6 Ų44.611%0.11322%0.221CC..Hα-helixtrans-59.6-42.1172.300000112.9A289 V290 R295 G296 Y298A289-G293 PolarHBondContact O-N 3.18Å; V290-G293 PolarHBondContact O-N 2.95Å; G293-R295 VanDerWaalsContact C-N 3.27Å; G293-R295 PolarHBondContact O-N 2.98Å; G293-G296 PolarHBondContact O-N 3.38Å; G293-G296 VanDerWaalsContact O-N 3.1Å; G293-Y298 WeakPolarHBondContact O-CE1 3.22Å
294K86.4Confident90Very high143 Ų14346.1 Ų46.162%0.62223%0.228SC*.Hα-helixtrans-65.1-28.9175.1-73.3-72.3-175.8176.30113.3Y256 V290 L291 Y292 G296Y256-K294 HydrophobicContact CD1-CB 4.2Å; Y256-K294 HydrophobicContact CE1-CB 3.75Å; Y256-K294 HydrophobicContact CE1-CG 4.21Å; V290-K294 WeakPolarHBondContact O-CG 3.35Å; V290-K294 PolarHBondContact O-N 3.43Å; L291-K294 PolarHBondContact O-N 2.96Å; Y292-K294 PolarHBondContact O-N 3.34Å; K294-G296 VanDerWaalsContact C-N 3.29Å
295R87.4Confident90Very high92 Ų9246.1 Ų46.135%0.34723%0.228SC..THydrogen-bonded Turntrans-81.4-2.4174.1-68.6-178.167.7-174.2-2.8113.9Y256 L291 Y292 G293 K297Y256-R295 HydrophobicContact CD2-CG 4.47Å; Y256-R295 HydrophobicContact CG-CG 4.06Å; L291-R295 WeakPolarHBondContact O-CG 3.48Å; L291-R295 PolarHBondContact O-N 3.45Å; L291-R295 VanDerWaalsContact O-N 3.16Å; Y292-R295 CarbonylContact O-C 3.57Å; Y292-R295 PolarHBondContact O-N 3.43Å; Y292-R295 VanDerWaalsContact O-N 3.13Å; G293-R295 VanDerWaalsContact C-N 3.27Å; G293-R295 PolarHBondContact O-N 2.98Å; R295-K297 VanDerWaalsContact C-N 3.25Å; R295-K297 HydrophobicContact CB-CG 4.35Å; R295-K297 PolarHBondContact O-N 3.35Å
296G86.6Confident90Very high39 Ų3949.3 Ų49.340%0.40224%0.242SC..THydrogen-bonded Turntrans77.47.2-17400000114.3Y292 G293 K294 Y298Y292-G296 PolarHBondContact O-N 2.94Å; G293-G296 PolarHBondContact O-N 3.38Å; G293-G296 VanDerWaalsContact O-N 3.1Å; K294-G296 VanDerWaalsContact C-N 3.29Å; G296-Y298 VanDerWaalsContact C-N 3.28Å; G296-Y298 WeakPolarHBondContact O-CD2 3.35Å; G296-Y298 PolarHBondContact O-N 3.41Å; G296-Y298 VanDerWaalsContact O-N 3.1Å
297K90.7Very high90.1Very high73 Ų7351.8 Ų51.832%0.31725%0.25SC..  trans-87.160.9179.3-68.1-159.8169.9-155.30111.7Y292 R295 K299 E300 A301Y292-K297 PolarHBondContact O-N 2.93Å; R295-K297 VanDerWaalsContact C-N 3.25Å; R295-K297 HydrophobicContact CB-CG 4.35Å; R295-K297 PolarHBondContact O-N 3.35Å; K297-K299 PolarHBondContact O-N 2.88Å; K297-E300 HydrophobicContact CB-CB 4.44Å; K297-E300 WeakPolarHBondContact CD-OE2 3.32Å; K297-E300 VanDerWaalsContact NZ-CD 3.27Å; K297-E300 IonicContact NZ-OE1 3.62Å; K297-E300 PolarHBondContact NZ-OE1 3.3Å; K297-E300 IonicContact NZ-OE2 3.96Å; K297-E300 PolarHBondContact NZ-OE2 3.05Å; K297-E300 PolarHBondContact O-N 2.96Å; K297-A301 PolarHBondContact O-N 3.47Å
298Y89.2Confident90.2Very high67 Ų6750.3 Ų50.326%0.26324%0.242SC..Hα-helixtrans-66.1-34.5-172.6-53.9-64.5000113.7G293 G296 E300 A301 E302 L333 N336 Q337G293-Y298 WeakPolarHBondContact O-CE1 3.22Å; G296-Y298 VanDerWaalsContact C-N 3.28Å; G296-Y298 WeakPolarHBondContact O-CD2 3.35Å; G296-Y298 PolarHBondContact O-N 3.41Å; G296-Y298 VanDerWaalsContact O-N 3.1Å; Y298-E300 PolarHBondContact O-N 2.93Å; Y298-A301 PolarHBondContact O-N 3.48Å; Y298-E302 PolarHBondContact O-N 3.08Å; Y298-E302 VanDerWaalsContact O-N 3.08Å; Y298-L333 HydrophobicContact CD1-CD2 3.94Å; Y298-N336 HydrophobicContact CD1-CB 3.83Å; Y298-N336 HydrophobicContact CD2-CB 3.98Å; Y298-N336 HydrophobicContact CE1-CB 3.62Å; Y298-N336 WeakPolarHBondContact CE1-ND2 3.46Å; Y298-N336 HydrophobicContact CE2-CB 3.77Å; Y298-N336 HydrophobicContact CG-CB 4.01Å; Y298-Q337 HydrophobicContact CG-CG 4.4Å
299K88.9Confident90.3Very high177 Ų17751 Ų5177%0.7725%0.245SC*.Hα-helixtrans-64.1-36.3177.5-68.2-173.3177.3-177.50113.1K297 P303K297-K299 PolarHBondContact O-N 2.88Å; K299-P303 WeakPolarHBondContact O-CD 3.39Å
300E88.9Confident90.3Very high89 Ų8956.1 Ų56.142%0.41627%0.269SS..Hα-helixtrans-76-29.2175.6-68.5175.8-154.300111.5Y292 K297 Y298 P303Y292-E300 HydrophobicContact CD2-CB 4.08Å; Y292-E300 HydrophobicContact CE2-CB 4.44Å; K297-E300 HydrophobicContact CB-CB 4.44Å; K297-E300 WeakPolarHBondContact CD-OE2 3.32Å; K297-E300 VanDerWaalsContact NZ-CD 3.27Å; K297-E300 IonicContact NZ-OE1 3.62Å; K297-E300 PolarHBondContact NZ-OE1 3.3Å; K297-E300 IonicContact NZ-OE2 3.96Å; K297-E300 PolarHBondContact NZ-OE2 3.05Å; K297-E300 PolarHBondContact O-N 2.96Å; Y298-E300 PolarHBondContact O-N 2.93Å; E300-P303 WeakPolarHBondContact O-CD 3.45Å; E300-P303 WeakPolarHBondContact O-CG 3.2Å
301A91.5Very high90.5Very high0 Ų053.7 Ų53.70%026%0.255CS..Hα-helixtrans-76.3-34.7-178.800000113.9A289 K297 Y298 L304 C305 L333A289-A301 HydrophobicContact CB-CB 4.33Å; A289-A301 WeakPolarHBondContact O-CB 3.48Å; K297-A301 PolarHBondContact O-N 3.47Å; Y298-A301 PolarHBondContact O-N 3.48Å; A301-L304 PolarHBondContact O-N 3.33Å; A301-C305 WeakPolarHBondContact O-CB 3.35Å; A301-C305 PolarHBondContact O-N 2.88Å; A301-L333 HydrophobicContact CB-CD1 3.91Å; A301-L333 HydrophobicContact CB-CD2 3.81Å
302E89.8Confident90.6Very high21 Ų2155 Ų5510%0.09826%0.259CS..Hα-helixtrans-55.7-52.8-178.1-173.8-179.3151.900114.1Y298 L304 C305 K306 L330 Q337 K339Y298-E302 PolarHBondContact O-N 3.08Å; Y298-E302 VanDerWaalsContact O-N 3.08Å; E302-L304 VanDerWaalsContact C-N 3.29Å; E302-L304 PolarHBondContact O-N 3.36Å; E302-C305 PolarHBondContact O-N 3.45Å; E302-C305 VanDerWaalsContact O-N 3.16Å; E302-K306 HydrophobicContact CG-CD 4.36Å; E302-K306 PolarHBondContact O-N 3Å; E302-K306 VanDerWaalsContact OE1-CE 3.27Å; E302-K306 WeakPolarHBondContact OE1-CE 3.4Å; E302-K306 IonicContact OE1-NZ 3.99Å; E302-K306 PolarHBondContact OE1-NZ 3.22Å; E302-L330 HydrophobicContact CG-CD1 4.26Å; E302-Q337 PolarHBondContact OE2-NE2 3.39Å; E302-Q337 PolarHBondContact OE2-OE1 3.19Å; E302-K339 VanDerWaalsContact CD-NZ 3.35Å; E302-K339 IonicContact OE1-NZ 3.83Å; E302-K339 PolarHBondContact OE1-NZ 2.71Å; E302-K339 VanDerWaalsContact OE1-NZ 3.13Å; E302-K339 IonicContact OE2-NZ 3Å; E302-K339 PolarHBondContact OE2-NZ 3.4Å
303P92.6Very high90.7Very high75 Ų7555.1 Ų55.149%0.48726%0.261SS..Hα-helixtrans-63.1-35.4-17924.3-34.5000112.6K299 E300 K306 R307K299-P303 WeakPolarHBondContact O-CD 3.39Å; E300-P303 WeakPolarHBondContact O-CD 3.45Å; E300-P303 WeakPolarHBondContact O-CG 3.2Å; P303-K306 PolarHBondContact O-N 3.34Å; P303-R307 WeakPolarHBondContact O-CB 3.43Å; P303-R307 PolarHBondContact O-N 3.29Å
304L93.4Very high90.9Very high33 Ų3361.2 Ų61.217%0.17328%0.284CS..Hα-helixtrans-65.2-41.5175.9-59.9177.3000111.5L285 L288 A289 Y292 A301 E302 A308L285-L304 HydrophobicContact CD2-CB 4.41Å; L285-L304 HydrophobicContact CD2-CD2 3.74Å; L288-L304 HydrophobicContact CB-CD1 3.99Å; A289-L304 HydrophobicContact CB-CB 4.28Å; Y292-L304 HydrophobicContact CD2-CD1 3.72Å; Y292-L304 HydrophobicContact CE2-CD1 3.68Å; A301-L304 PolarHBondContact O-N 3.33Å; E302-L304 VanDerWaalsContact C-N 3.29Å; E302-L304 PolarHBondContact O-N 3.36Å; L304-A308 WeakPolarHBondContact O-CB 3.35Å; L304-A308 PolarHBondContact O-N 3.5Å
305C91.7Very high91.1Very high0 Ų057.8 Ų57.80%028%0.275CS..Hα-helixtrans-69.7-38.3179-166.10000112A289 A301 E302 A308 L309 Q326 L330 L333A289-C305 HydrophobicContact CB-CB 4.03Å; A301-C305 WeakPolarHBondContact O-CB 3.35Å; A301-C305 PolarHBondContact O-N 2.88Å; E302-C305 PolarHBondContact O-N 3.45Å; E302-C305 VanDerWaalsContact O-N 3.16Å; C305-A308 PolarHBondContact O-N 2.86Å; C305-L309 PolarHBondContact O-N 2.98Å; C305-Q326 PolarHBondContact O-NE2 3.21Å; C305-Q326 VanDerWaalsContact O-NE2 3.1Å; C305-Q326 PolarHBondContact SG-NE2 3.45Å; C305-L330 HydrophobicContact CB-CD1 3.91Å; C305-L333 HydrophobicContact CB-CD1 3.77Å
306K92.6Very high91.1Very high68 Ų6856.8 Ų56.830%0.29628%0.277SS..Hα-helixtrans-63.3-47.4172.5-74.7-176.3-179.1171.90112E302 P303 A308 L309 E310 L330E302-K306 HydrophobicContact CG-CD 4.36Å; E302-K306 PolarHBondContact O-N 3Å; E302-K306 VanDerWaalsContact OE1-CE 3.27Å; E302-K306 WeakPolarHBondContact OE1-CE 3.4Å; E302-K306 IonicContact OE1-NZ 3.99Å; E302-K306 PolarHBondContact OE1-NZ 3.22Å; P303-K306 PolarHBondContact O-N 3.34Å; K306-A308 VanDerWaalsContact C-N 3.31Å; K306-A308 PolarHBondContact O-N 3.03Å; K306-L309 WeakPolarHBondContact O-CA 3.25Å; K306-L309 VanDerWaalsContact O-CB 3.31Å; K306-L309 WeakPolarHBondContact O-CB 3.46Å; K306-L309 PolarHBondContact O-N 3.42Å; K306-E310 WeakPolarHBondContact O-CG 3.36Å; K306-E310 PolarHBondContact O-N 3.41Å; K306-L330 HydrophobicContact CG-CD1 4.06Å; K306-L330 HydrophobicContact CG-CD2 4.1Å
307R93.8Very high91.2Very high72 Ų7256.4 Ų56.427%0.27227%0.273SS..Hα-helixtrans-58.6-43.3175.4-175.3179.8169.7-153.5-9.9112E271 L285 P303 L309 E310 I311E271-R307 IonicContact OE1-CZ 2.85Å; E271-R307 IonicContact OE1-NH1 3.48Å; E271-R307 PolarHBondContact OE1-NH1 3.34Å; E271-R307 IonicContact OE1-NH2 2.69Å; E271-R307 PolarHBondContact OE1-NH2 2.88Å; L285-R307 HydrophobicContact CD1-CB 4.22Å; L285-R307 HydrophobicContact CD1-CG 3.81Å; P303-R307 WeakPolarHBondContact O-CB 3.43Å; P303-R307 PolarHBondContact O-N 3.29Å; R307-L309 VanDerWaalsContact C-N 3.3Å; R307-L309 PolarHBondContact O-N 3.49Å; R307-E310 PolarHBondContact O-N 2.94Å; R307-I311 HydrophobicContact CG-CD1 4.2Å; R307-I311 VanDerWaalsContact O-CG1 3.29Å; R307-I311 WeakPolarHBondContact O-CG1 3.43Å; R307-I311 PolarHBondContact O-N 3.5Å; R307-I311 VanDerWaalsContact O-N 3.1Å
308A93Very high91.2Very high0 Ų059.2 Ų59.20%029%0.285CS..Hα-helixtrans-64.9-32.4175.300000113.2A282 L285 L304 C305 K306 R312 Q326A282-A308 HydrophobicContact CB-CB 4.25Å; A282-A308 WeakPolarHBondContact O-CB 3.35Å; L285-A308 HydrophobicContact CB-CB 3.83Å; L285-A308 HydrophobicContact CD1-CB 4.4Å; L304-A308 WeakPolarHBondContact O-CB 3.35Å; L304-A308 PolarHBondContact O-N 3.5Å; C305-A308 PolarHBondContact O-N 2.86Å; K306-A308 VanDerWaalsContact C-N 3.31Å; K306-A308 PolarHBondContact O-N 3.03Å; A308-R312 WeakPolarHBondContact O-CB 3.47Å; A308-R312 VanDerWaalsContact O-CG 3.32Å; A308-R312 WeakPolarHBondContact O-CG 3.36Å; A308-R312 PolarHBondContact O-N 2.84Å; A308-R312 VanDerWaalsContact O-N 3.1Å; A308-Q326 VanDerWaalsContact CB-NE2 3.26Å
309L92.6Very high91.2Very high13 Ų1361.7 Ų61.77%0.06830%0.297CS..Hα-helixtrans-66.6-49173.7178.968000111.1C305 K306 R307 I311 R312 E313 V323 Q326 L327 L330C305-L309 PolarHBondContact O-N 2.98Å; K306-L309 WeakPolarHBondContact O-CA 3.25Å; K306-L309 VanDerWaalsContact O-CB 3.31Å; K306-L309 WeakPolarHBondContact O-CB 3.46Å; K306-L309 PolarHBondContact O-N 3.42Å; R307-L309 VanDerWaalsContact C-N 3.3Å; R307-L309 PolarHBondContact O-N 3.49Å; L309-I311 VanDerWaalsContact C-N 3.3Å; L309-I311 PolarHBondContact O-N 2.85Å; L309-R312 PolarHBondContact O-N 3.3Å; L309-R312 VanDerWaalsContact O-N 3.14Å; L309-E313 HydrophobicContact CD1-CG 4.28Å; L309-E313 HydrophobicContact CG-CG 4.38Å; L309-E313 WeakPolarHBondContact O-CB 3.5Å; L309-E313 WeakPolarHBondContact O-CG 3.49Å; L309-E313 PolarHBondContact O-N 3.11Å; L309-V323 HydrophobicContact CD1-CG1 3.73Å; L309-Q326 HydrophobicContact CB-CG 3.86Å; L309-Q326 HydrophobicContact CD1-CB 4.02Å; L309-Q326 HydrophobicContact CD1-CG 3.97Å; L309-L327 HydrophobicContact CD1-CD2 4Å; L309-L327 HydrophobicContact CD1-CG 3.84Å; L309-L327 HydrophobicContact CD2-CD2 3.68Å; L309-L327 HydrophobicContact CD2-CG 4.44Å; L309-L330 HydrophobicContact CD2-CD2 4.13Å
310E93.2Very high91.2Very high110 Ų11055.8 Ų55.851%0.51427%0.272SS..Hα-helixtrans-56.6-44.6177.9-70.2165-163.400111.6K306 R307 E313 K314K306-E310 WeakPolarHBondContact O-CG 3.36Å; K306-E310 PolarHBondContact O-N 3.41Å; R307-E310 PolarHBondContact O-N 2.94Å; E310-E313 PolarHBondContact O-N 3.25Å; E310-K314 WeakPolarHBondContact O-CG 3.43Å; E310-K314 PolarHBondContact O-N 3.05Å
311I92.6Very high91.2Very high4 Ų453.2 Ų53.22%0.02126%0.263CS..Hα-helixtrans-62.6-46.8176.6-64.4166.1000110.8K276 D277 V281 A282 L285 R307 L309 E313 K314 V315K276-I311 VanDerWaalsContact O-CD1 3.25Å; K276-I311 WeakPolarHBondContact O-CD1 3.29Å; D277-I311 WeakPolarHBondContact O-CG2 3.33Å; V281-I311 HydrophobicContact CG1-CD1 4.1Å; A282-I311 HydrophobicContact CB-CB 3.97Å; A282-I311 HydrophobicContact CB-CD1 4.43Å; A282-I311 HydrophobicContact CB-CG2 3.78Å; L285-I311 HydrophobicContact CD1-CD1 3.91Å; R307-I311 HydrophobicContact CG-CD1 4.2Å; R307-I311 VanDerWaalsContact O-CG1 3.29Å; R307-I311 WeakPolarHBondContact O-CG1 3.43Å; R307-I311 PolarHBondContact O-N 3.5Å; R307-I311 VanDerWaalsContact O-N 3.1Å; L309-I311 VanDerWaalsContact C-N 3.3Å; L309-I311 PolarHBondContact O-N 2.85Å; I311-E313 VanDerWaalsContact C-N 3.33Å; I311-E313 PolarHBondContact O-N 3.05Å; I311-K314 PolarHBondContact O-N 2.75Å; I311-V315 HydrophobicContact CG2-CG2 4.4Å; I311-V315 WeakPolarHBondContact O-CG2 3.39Å; I311-V315 PolarHBondContact O-N 3.26Å
312R91.4Very high91Very high31 Ų3154.8 Ų54.812%0.11727%0.272CS..Hα-helixtrans-63.1-38.7178.6-76.5176.9177.8-119-13.8112.2A282 A308 L309 L316 D322 V323A282-R312 HydrophobicContact CB-CG 4.1Å; A308-R312 WeakPolarHBondContact O-CB 3.47Å; A308-R312 VanDerWaalsContact O-CG 3.32Å; A308-R312 WeakPolarHBondContact O-CG 3.36Å; A308-R312 PolarHBondContact O-N 2.84Å; A308-R312 VanDerWaalsContact O-N 3.1Å; L309-R312 PolarHBondContact O-N 3.3Å; L309-R312 VanDerWaalsContact O-N 3.14Å; R312-L316 WeakPolarHBondContact O-CB 3.44Å; R312-L316 PolarHBondContact O-N 2.71Å; R312-D322 VanDerWaalsContact NH1-CB 3.34Å; R312-D322 PolarHBondContact NH1-O 3.24Å; R312-D322 VanDerWaalsContact NH1-O 3.09Å; R312-D322 IonicContact NH1-OD1 3.74Å; R312-D322 PolarHBondContact NH1-OD1 3.26Å; R312-V323 HydrophobicContact CB-CG2 4.04Å
313E92.5Very high91.1Very high39 Ų3953.8 Ų53.818%0.18227%0.267CS..Hα-helixtrans-66.5-39.2176.7-74-177.9172.300112.3L309 E310 I311 G317 V323 R349L309-E313 HydrophobicContact CD1-CG 4.28Å; L309-E313 HydrophobicContact CG-CG 4.38Å; L309-E313 WeakPolarHBondContact O-CB 3.5Å; L309-E313 WeakPolarHBondContact O-CG 3.49Å; L309-E313 PolarHBondContact O-N 3.11Å; E310-E313 PolarHBondContact O-N 3.25Å; I311-E313 VanDerWaalsContact C-N 3.33Å; I311-E313 PolarHBondContact O-N 3.05Å; E313-G317 CarbonylContact O-C 3.57Å; E313-G317 WeakPolarHBondContact O-CA 3Å; E313-G317 PolarHBondContact O-N 3.07Å; E313-V323 HydrophobicContact CG-CG1 3.76Å; E313-V323 HydrophobicContact CG-CG2 4.04Å; E313-R349 IonicContact OE1-CZ 2.78Å; E313-R349 IonicContact OE1-NH1 2.62Å; E313-R349 PolarHBondContact OE1-NH1 3.25Å; E313-R349 IonicContact OE1-NH2 2.97Å; E313-R349 PolarHBondContact OE1-NH2 2.93Å
314K91Very high91.1Very high139 Ų13950.2 Ų50.260%0.60424%0.244SC*.Hα-helixtrans-66.2-45.1175.7-75-179.8-174176.70112.4D277 E310 I311D277-K314 IonicContact OD1-NZ 2.68Å; D277-K314 PolarHBondContact OD1-NZ 2.92Å; D277-K314 IonicContact OD2-NZ 3.73Å; E310-K314 WeakPolarHBondContact O-CG 3.43Å; E310-K314 PolarHBondContact O-N 3.05Å; I311-K314 PolarHBondContact O-N 2.75Å
315V89.4Confident90.9Very high72 Ų7254.2 Ų54.244%0.43626%0.26SS..Hα-helixtrans-82.4-41.9-172.7179.80000112.7D277 P279 I311D277-V315 WeakPolarHBondContact O-CG2 3.49Å; P279-V315 HydrophobicContact CG-CB 4.44Å; P279-V315 HydrophobicContact CG-CG1 3.79Å; P279-V315 HydrophobicContact CG-CG2 4.42Å; I311-V315 HydrophobicContact CG2-CG2 4.4Å; I311-V315 WeakPolarHBondContact O-CG2 3.39Å; I311-V315 PolarHBondContact O-N 3.26Å
316L87.6Confident90.9Very high71 Ų7154.3 Ų54.337%0.37226%0.26SS..Hα-helixtrans-102.7-13.6-173.1-56172.1000113.1R312 H320 D322R312-L316 WeakPolarHBondContact O-CB 3.44Å; R312-L316 PolarHBondContact O-N 2.71Å; L316-H320 HydrophobicContact CB-CB 3.67Å; L316-D322 HydrophobicContact CD1-CB 3.72Å
317G89.6Confident90.9Very high31 Ų3151 Ų5132%0.3225%0.246SC..  trans88.6155.9-172.900000113.4E313 F319 H320 V323E313-G317 CarbonylContact O-C 3.57Å; E313-G317 WeakPolarHBondContact O-CA 3Å; E313-G317 PolarHBondContact O-N 3.07Å; G317-F319 PolarHBondContact O-N 3.27Å; G317-F319 VanDerWaalsContact O-N 3.13Å; G317-H320 PolarHBondContact O-N 3.46Å; G317-V323 WeakPolarHBondContact O-CG2 3.25Å
318K89.3Confident90.8Very high131 Ų13148.4 Ų48.457%0.5724%0.238SC*.THydrogen-bonded Turntrans-62.3-22.1-172.5-66.5-176.7179.8-179.30115.1I353K318-I353 WeakPolarHBondContact O-CD1 3.38Å
319F89.6Confident90.7Very high120 Ų12050.7 Ų50.753%0.52625%0.251SS..THydrogen-bonded Turntrans-108.720.1-175.7-60.7-79.8000113.1G317 I353 R357G317-F319 PolarHBondContact O-N 3.27Å; G317-F319 VanDerWaalsContact O-N 3.13Å; F319-I353 HydrophobicContact CD1-CG1 4.2Å; F319-I353 WeakPolarHBondContact O-CG2 3.22Å; F319-R357 VanDerWaalsContact O-CG 3.25Å; F319-R357 WeakPolarHBondContact O-CG 3.39Å
320H89.1Confident90.6Very high52 Ų5250 Ų5024%0.24125%0.247CC..  trans-80.8142.2178.5-167.4-91.5000112L316 G317 D322 V323 A324L316-H320 HydrophobicContact CB-CB 3.67Å; G317-H320 PolarHBondContact O-N 3.46Å; H320-D322 IonicContact CE1-OD2 3.15Å; H320-D322 WeakPolarHBondContact ND1-CB 3.38Å; H320-D322 PolarHBondContact ND1-N 3.43Å; H320-D322 VanDerWaalsContact ND1-N 3.13Å; H320-D322 IonicContact ND1-OD2 3.48Å; H320-D322 PolarHBondContact O-N 3.45Å; H320-D322 VanDerWaalsContact O-N 3.13Å; H320-V323 HydrophobicContact CB-CG2 4.26Å; H320-V323 WeakPolarHBondContact O-CA 3.47Å; H320-V323 VanDerWaalsContact O-CB 3.29Å; H320-V323 WeakPolarHBondContact O-CB 3.32Å; H320-V323 PolarHBondContact O-N 3.41Å; H320-A324 PolarHBondContact O-N 3.08Å
321P89.7Confident90.5Very high35 Ų3544.8 Ų44.823%0.22722%0.223CC..Hα-helixtrans-51.2-35.7176.2-32.838.5000115.2V323 A324 K325 Y354 R357 L358P321-V323 VanDerWaalsContact C-N 3.29Å; P321-V323 PolarHBondContact O-N 3.4Å; P321-A324 WeakPolarHBondContact O-CB 3.45Å; P321-A324 PolarHBondContact O-N 2.86Å; P321-K325 PolarHBondContact O-N 3.47Å; P321-Y354 HydrophobicContact CB-CE1 4.46Å; P321-R357 HydrophobicContact CG-CB 4.3Å; P321-L358 HydrophobicContact CB-CD1 3.99Å; P321-L358 HydrophobicContact CG-CD1 3.93Å; P321-L358 HydrophobicContact CG-CG 4.38Å
322D86.8Confident90.3Very high34 Ų3448.6 Ų48.618%0.18224%0.243CC..Hα-helixtrans-67.6-25.7175.9-86.8-45.9000114.4R312 L316 H320 Q326R312-D322 VanDerWaalsContact NH1-CB 3.34Å; R312-D322 PolarHBondContact NH1-O 3.24Å; R312-D322 VanDerWaalsContact NH1-O 3.09Å; R312-D322 IonicContact NH1-OD1 3.74Å; R312-D322 PolarHBondContact NH1-OD1 3.26Å; L316-D322 HydrophobicContact CD1-CB 3.72Å; H320-D322 IonicContact CE1-OD2 3.15Å; H320-D322 WeakPolarHBondContact ND1-CB 3.38Å; H320-D322 PolarHBondContact ND1-N 3.43Å; H320-D322 VanDerWaalsContact ND1-N 3.13Å; H320-D322 IonicContact ND1-OD2 3.48Å; H320-D322 PolarHBondContact O-N 3.45Å; H320-D322 VanDerWaalsContact O-N 3.13Å; D322-Q326 PolarHBondContact O-N 3.43Å; D322-Q326 VanDerWaalsContact O-N 3.13Å
323V91.6Very high90.2Very high0 Ų047.7 Ų47.70%024%0.24CC..Hα-helixtrans-70.7-42.5171174.20000109L309 R312 E313 G317 H320 P321 K325 Q326 L327 I353L309-V323 HydrophobicContact CD1-CG1 3.73Å; R312-V323 HydrophobicContact CB-CG2 4.04Å; E313-V323 HydrophobicContact CG-CG1 3.76Å; E313-V323 HydrophobicContact CG-CG2 4.04Å; G317-V323 WeakPolarHBondContact O-CG2 3.25Å; H320-V323 HydrophobicContact CB-CG2 4.26Å; H320-V323 WeakPolarHBondContact O-CA 3.47Å; H320-V323 VanDerWaalsContact O-CB 3.29Å; H320-V323 WeakPolarHBondContact O-CB 3.32Å; H320-V323 PolarHBondContact O-N 3.41Å; P321-V323 VanDerWaalsContact C-N 3.29Å; P321-V323 PolarHBondContact O-N 3.4Å; V323-K325 VanDerWaalsContact C-N 3.32Å; V323-K325 PolarHBondContact O-N 3.45Å; V323-Q326 WeakPolarHBondContact O-CB 3.23Å; V323-Q326 PolarHBondContact O-N 3.08Å; V323-Q326 VanDerWaalsContact O-N 3.14Å; V323-L327 HydrophobicContact CG1-CD1 3.97Å; V323-L327 HydrophobicContact CG1-CG 4.36Å; V323-L327 WeakPolarHBondContact O-CB 3.18Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.4Å; V323-L327 PolarHBondContact O-N 3.14Å; V323-I353 HydrophobicContact CG1-CD1 4.2Å
324A92.5Very high90.1Very high0 Ų045.9 Ų45.90%023%0.232CC..Hα-helixtrans-61.8-37.9174.800000112.9H320 P321 Q326 L327 S328 A350 I353 Y354H320-A324 PolarHBondContact O-N 3.08Å; P321-A324 WeakPolarHBondContact O-CB 3.45Å; P321-A324 PolarHBondContact O-N 2.86Å; A324-Q326 VanDerWaalsContact C-N 3.35Å; A324-L327 PolarHBondContact O-N 3.2Å; A324-S328 WeakPolarHBondContact O-CB 3.39Å; A324-S328 PolarHBondContact O-N 3.12Å; A324-S328 PolarHBondContact O-OG 3.41Å; A324-A350 HydrophobicContact CB-CB 4.17Å; A324-I353 HydrophobicContact CB-CB 3.84Å; A324-I353 HydrophobicContact CB-CD1 4.22Å; A324-I353 HydrophobicContact CB-CG2 3.74Å; A324-Y354 HydrophobicContact CB-CD1 3.78Å; A324-Y354 HydrophobicContact CB-CD2 3.92Å; A324-Y354 HydrophobicContact CB-CE1 3.52Å; A324-Y354 HydrophobicContact CB-CE2 3.65Å; A324-Y354 HydrophobicContact CB-CG 4Å; A324-Y354 VanDerWaalsContact CB-CZ 3.46Å
325K90.1Very high89.9Confident117 Ų11740.5 Ų40.551%0.50921%0.209SC..Hα-helixtrans-63.5-41.9173.4-170.5176.2179.5178.40111.7P321 V323 S328 N329 Y354P321-K325 PolarHBondContact O-N 3.47Å; V323-K325 VanDerWaalsContact C-N 3.32Å; V323-K325 PolarHBondContact O-N 3.45Å; K325-S328 WeakPolarHBondContact O-CB 3.42Å; K325-S328 PolarHBondContact O-N 3.31Å; K325-N329 PolarHBondContact O-N 3.37Å; K325-N329 VanDerWaalsContact O-N 3.16Å; K325-Y354 WeakPolarHBondContact CA-OH 3.48Å; K325-Y354 WeakPolarHBondContact CB-OH 3.49Å; K325-Y354 PolarHBondContact N-OH 3.27Å
326Q90.6Very high89.8Confident1 Ų140.6 Ų40.61%0.00521%0.207CC..Hα-helixtrans-67.8-43.3177.1-169.665.18.400112.2N286 C305 A308 L309 D322 V323 A324 S328 N329 L330N286-Q326 PolarHBondContact OD1-OE1 3.28Å; C305-Q326 PolarHBondContact O-NE2 3.21Å; C305-Q326 VanDerWaalsContact O-NE2 3.1Å; C305-Q326 PolarHBondContact SG-NE2 3.45Å; A308-Q326 VanDerWaalsContact CB-NE2 3.26Å; L309-Q326 HydrophobicContact CB-CG 3.86Å; L309-Q326 HydrophobicContact CD1-CB 4.02Å; L309-Q326 HydrophobicContact CD1-CG 3.97Å; D322-Q326 PolarHBondContact O-N 3.43Å; D322-Q326 VanDerWaalsContact O-N 3.13Å; V323-Q326 WeakPolarHBondContact O-CB 3.23Å; V323-Q326 PolarHBondContact O-N 3.08Å; V323-Q326 VanDerWaalsContact O-N 3.14Å; A324-Q326 VanDerWaalsContact C-N 3.35Å; Q326-S328 VanDerWaalsContact C-N 3.27Å; Q326-S328 PolarHBondContact O-N 3.12Å; Q326-N329 WeakPolarHBondContact O-CB 3.13Å; Q326-N329 PolarHBondContact O-N 3.02Å; Q326-N329 VanDerWaalsContact O-N 3.13Å; Q326-L330 PolarHBondContact O-N 3.44Å
327L93.6Very high89.8Confident0 Ų039.7 Ų39.70%020%0.2CC..Hα-helixtrans-57.8-40.5173.3-73.6166000111.5L309 V323 A324 N329 L330 A331 Y346 R349 A350 I353L309-L327 HydrophobicContact CD1-CD2 4Å; L309-L327 HydrophobicContact CD1-CG 3.84Å; L309-L327 HydrophobicContact CD2-CD2 3.68Å; L309-L327 HydrophobicContact CD2-CG 4.44Å; V323-L327 HydrophobicContact CG1-CD1 3.97Å; V323-L327 HydrophobicContact CG1-CG 4.36Å; V323-L327 WeakPolarHBondContact O-CB 3.18Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.4Å; V323-L327 PolarHBondContact O-N 3.14Å; A324-L327 PolarHBondContact O-N 3.2Å; L327-N329 VanDerWaalsContact C-N 3.35Å; L327-N329 PolarHBondContact O-N 2.99Å; L327-L330 PolarHBondContact O-N 3.19Å; L327-A331 WeakPolarHBondContact O-CB 3.42Å; L327-A331 PolarHBondContact O-N 3.08Å; L327-Y346 HydrophobicContact CD2-CD1 3.68Å; L327-Y346 HydrophobicContact CD2-CE1 4.42Å; L327-Y346 HydrophobicContact CD2-CG 4.46Å; L327-R349 HydrophobicContact CD1-CB 4.15Å; L327-R349 HydrophobicContact CD1-CG 3.81Å; L327-A350 HydrophobicContact CB-CB 4.02Å; L327-I353 HydrophobicContact CD1-CD1 3.83Å
328S91.4Very high89.7Confident16 Ų1641.2 Ų41.211%0.11222%0.216CC..Hα-helixtrans-63-39.3176-59.50000112.4A324 K325 Q326 L332A324-S328 WeakPolarHBondContact O-CB 3.39Å; A324-S328 PolarHBondContact O-N 3.12Å; A324-S328 PolarHBondContact O-OG 3.41Å; K325-S328 WeakPolarHBondContact O-CB 3.42Å; K325-S328 PolarHBondContact O-N 3.31Å; Q326-S328 VanDerWaalsContact C-N 3.27Å; Q326-S328 PolarHBondContact O-N 3.12Å; S328-L332 PolarHBondContact O-N 2.97Å; S328-L332 VanDerWaalsContact O-N 3.14Å
329N89.6Confident89.7Confident48 Ų4838.1 Ų38.126%0.25720%0.203SC..Hα-helixtrans-68.1-41.6175.3-70.2-14.4000111.7N286 K325 Q326 L327 L332 L333N286-N329 PolarHBondContact OD1-ND2 3.49Å; K325-N329 PolarHBondContact O-N 3.37Å; K325-N329 VanDerWaalsContact O-N 3.16Å; Q326-N329 WeakPolarHBondContact O-CB 3.13Å; Q326-N329 PolarHBondContact O-N 3.02Å; Q326-N329 VanDerWaalsContact O-N 3.13Å; L327-N329 VanDerWaalsContact C-N 3.35Å; L327-N329 PolarHBondContact O-N 2.99Å; N329-L332 PolarHBondContact O-N 3.1Å; N329-L333 PolarHBondContact O-N 3.04Å; N329-L333 VanDerWaalsContact O-N 3.11Å
330L91.4Very high89.6Confident0 Ų034.2 Ų34.20%019%0.193CC..Hα-helixtrans-63.3-42.7176.8-173.762.3000111.3E302 C305 K306 L309 Q326 L327 L332 L333 C334 Y346E302-L330 HydrophobicContact CG-CD1 4.26Å; C305-L330 HydrophobicContact CB-CD1 3.91Å; K306-L330 HydrophobicContact CG-CD1 4.06Å; K306-L330 HydrophobicContact CG-CD2 4.1Å; L309-L330 HydrophobicContact CD2-CD2 4.13Å; Q326-L330 PolarHBondContact O-N 3.44Å; L327-L330 PolarHBondContact O-N 3.19Å; L330-L332 VanDerWaalsContact C-N 3.32Å; L330-L332 PolarHBondContact O-N 3.31Å; L330-L333 WeakPolarHBondContact O-CB 3.09Å; L330-L333 PolarHBondContact O-N 3.19Å; L330-L333 VanDerWaalsContact O-N 3.13Å; L330-C334 PolarHBondContact O-N 3.01Å; L330-C334 PolarHBondContact O-SG 3.41Å; L330-Y346 HydrophobicContact CD2-CD1 4.04Å; L330-Y346 HydrophobicContact CD2-CD2 4.17Å; L330-Y346 HydrophobicContact CD2-CE1 3.57Å; L330-Y346 HydrophobicContact CD2-CE2 3.75Å; L330-Y346 HydrophobicContact CD2-CG 4.33Å; L330-Y346 VanDerWaalsContact CD2-CZ 3.43Å; L330-Y346 HydrophobicContact CG-CD2 4.06Å; L330-Y346 HydrophobicContact CG-CE1 4.48Å; L330-Y346 HydrophobicContact CG-CE2 3.81Å
331A91.7Very high89.6Confident0 Ų039.7 Ų39.70%022%0.219CC..Hα-helixtrans-58.1-43.1174.300000111.7L327 L333 C334 Q335 V343 Y347L327-A331 WeakPolarHBondContact O-CB 3.42Å; L327-A331 PolarHBondContact O-N 3.08Å; A331-L333 VanDerWaalsContact C-N 3.33Å; A331-L333 PolarHBondContact O-N 3.04Å; A331-C334 PolarHBondContact O-N 3.47Å; A331-Q335 VanDerWaalsContact O-CB 3.31Å; A331-Q335 WeakPolarHBondContact O-CB 3.49Å; A331-Q335 PolarHBondContact O-N 3Å; A331-V343 HydrophobicContact CB-CG1 4.35Å; A331-V343 WeakPolarHBondContact O-CG2 3.46Å; A331-Y347 HydrophobicContact CB-CD1 3.79Å; A331-Y347 HydrophobicContact CB-CD2 3.79Å; A331-Y347 HydrophobicContact CB-CE1 3.59Å; A331-Y347 HydrophobicContact CB-CE2 3.6Å; A331-Y347 HydrophobicContact CB-CG 3.86Å; A331-Y347 VanDerWaalsContact CB-CZ 3.47Å
332L88.8Confident89.6Confident83 Ų8341 Ų4144%0.43522%0.221SC..Hα-helixtrans-63.4-38.2176.2-17464.9000112.5S328 N329 L330 Q335 N336S328-L332 PolarHBondContact O-N 2.97Å; S328-L332 VanDerWaalsContact O-N 3.14Å; N329-L332 PolarHBondContact O-N 3.1Å; L330-L332 VanDerWaalsContact C-N 3.32Å; L330-L332 PolarHBondContact O-N 3.31Å; L332-Q335 PolarHBondContact O-N 2.89Å; L332-N336 PolarHBondContact O-N 3.22Å; L332-N336 PolarHBondContact O-ND2 3.46Å
333L89.3Confident89.8Confident13 Ų1339.4 Ų39.47%0.06821%0.213CC..Hα-helixtrans-65-47175.2-71.7173.6000111.6A289 Y298 A301 C305 N329 L330 A331 Q335 N336 Q337A289-L333 HydrophobicContact CB-CD1 4.38Å; Y298-L333 HydrophobicContact CD1-CD2 3.94Å; A301-L333 HydrophobicContact CB-CD1 3.91Å; A301-L333 HydrophobicContact CB-CD2 3.81Å; C305-L333 HydrophobicContact CB-CD1 3.77Å; N329-L333 PolarHBondContact O-N 3.04Å; N329-L333 VanDerWaalsContact O-N 3.11Å; L330-L333 WeakPolarHBondContact O-CB 3.09Å; L330-L333 PolarHBondContact O-N 3.19Å; L330-L333 VanDerWaalsContact O-N 3.13Å; A331-L333 VanDerWaalsContact C-N 3.33Å; A331-L333 PolarHBondContact O-N 3.04Å; L333-Q335 VanDerWaalsContact C-N 3.27Å; L333-Q335 PolarHBondContact O-N 3.3Å; L333-N336 PolarHBondContact O-N 3.05Å; L333-Q337 WeakPolarHBondContact O-CG 3.24Å; L333-Q337 PolarHBondContact O-N 3.48Å
334C89.3Confident89.8Confident0 Ų040.4 Ų40.40%022%0.218CC..Hα-helixtrans-63.9-33.4176.8-670000111.8L330 A331 N336 Q337 G338 K339 E342 V343L330-C334 PolarHBondContact O-N 3.01Å; L330-C334 PolarHBondContact O-SG 3.41Å; A331-C334 PolarHBondContact O-N 3.47Å; C334-N336 VanDerWaalsContact C-N 3.35Å; C334-N336 PolarHBondContact O-N 3.36Å; C334-Q337 CarbonylContact O-C 3.4Å; C334-Q337 WeakPolarHBondContact O-CB 3.35Å; C334-Q337 PolarHBondContact O-N 2.86Å; C334-Q337 VanDerWaalsContact O-N 3.11Å; C334-G338 PolarHBondContact O-N 2.85Å; C334-K339 HydrophobicContact CB-CB 4.25Å; C334-K339 PolarHBondContact O-N 2.93Å; C334-K339 VanDerWaalsContact O-N 3.09Å; C334-E342 HydrophobicContact CB-CB 4.38Å; C334-E342 PolarHBondContact SG-OE2 3.36Å; C334-V343 HydrophobicContact CB-CG2 3.66Å
335Q87.9Confident89.8Confident27 Ų2747 Ų4713%0.12624%0.243CC..Hα-helixtrans-64.7-39.1177.5-166.8-175.13500111.9A331 L332 L333 Q337 G338 V343 K378A331-Q335 VanDerWaalsContact O-CB 3.31Å; A331-Q335 WeakPolarHBondContact O-CB 3.49Å; A331-Q335 PolarHBondContact O-N 3Å; L332-Q335 PolarHBondContact O-N 2.89Å; L333-Q335 VanDerWaalsContact C-N 3.27Å; L333-Q335 PolarHBondContact O-N 3.3Å; Q335-Q337 PolarHBondContact O-N 3.19Å; Q335-G338 PolarHBondContact O-N 3.26Å; Q335-V343 VanDerWaalsContact CA-CG2 3.5Å; Q335-V343 HydrophobicContact CB-CG1 4.19Å; Q335-V343 HydrophobicContact CB-CG2 3.81Å; Q335-V343 HydrophobicContact CG-CG1 4.47Å; Q335-K378 VanDerWaalsContact CD-NZ 3.26Å; Q335-K378 HydrophobicContact CG-CD 4.35Å
336N87.2Confident90Very high73 Ų7342.7 Ų42.739%0.3922%0.224SC..Hα-helixtrans-72.1-19.7175.8-66.4-32.8000112.8Y298 L332 L333 C334Y298-N336 HydrophobicContact CD1-CB 3.83Å; Y298-N336 HydrophobicContact CD2-CB 3.98Å; Y298-N336 HydrophobicContact CE1-CB 3.62Å; Y298-N336 WeakPolarHBondContact CE1-ND2 3.46Å; Y298-N336 HydrophobicContact CE2-CB 3.77Å; Y298-N336 HydrophobicContact CG-CB 4.01Å; L332-N336 PolarHBondContact O-N 3.22Å; L332-N336 PolarHBondContact O-ND2 3.46Å; L333-N336 PolarHBondContact O-N 3.05Å; C334-N336 VanDerWaalsContact C-N 3.35Å; C334-N336 PolarHBondContact O-N 3.36Å
337Q87.7Confident90.1Very high52 Ų5242.7 Ų42.724%0.24322%0.224CC..THydrogen-bonded Turntrans-85.9-7.4172.6-64.7-176.958.500113.4Y298 E302 L333 C334 Q335 K339Y298-Q337 HydrophobicContact CG-CG 4.4Å; E302-Q337 PolarHBondContact OE2-NE2 3.39Å; E302-Q337 PolarHBondContact OE2-OE1 3.19Å; L333-Q337 WeakPolarHBondContact O-CG 3.24Å; L333-Q337 PolarHBondContact O-N 3.48Å; C334-Q337 CarbonylContact O-C 3.4Å; C334-Q337 WeakPolarHBondContact O-CB 3.35Å; C334-Q337 PolarHBondContact O-N 2.86Å; C334-Q337 VanDerWaalsContact O-N 3.11Å; Q335-Q337 PolarHBondContact O-N 3.19Å; Q337-K339 VanDerWaalsContact C-N 3.34Å; Q337-K339 HydrophobicContact CB-CD 4.46Å; Q337-K339 HydrophobicContact CB-CG 4.2Å
338G86.5Confident90.1Very high63 Ų6348.4 Ų48.465%0.64925%0.246SC*.THydrogen-bonded Turntrans79.110.9-176.400000114.8C334 Q335 A340C334-G338 PolarHBondContact O-N 2.85Å; Q335-G338 PolarHBondContact O-N 3.26Å; G338-A340 VanDerWaalsContact C-N 3.34Å; G338-A340 PolarHBondContact O-N 2.96Å
339K90.4Very high90.2Very high66 Ų6650 Ų5029%0.28725%0.249SC..  trans-80.875.1178.5-63178.6176.6-177.30111.1E302 C334 Q337 E341 E342 V343E302-K339 VanDerWaalsContact CD-NZ 3.35Å; E302-K339 IonicContact OE1-NZ 3.83Å; E302-K339 PolarHBondContact OE1-NZ 2.71Å; E302-K339 VanDerWaalsContact OE1-NZ 3.13Å; E302-K339 IonicContact OE2-NZ 3Å; E302-K339 PolarHBondContact OE2-NZ 3.4Å; C334-K339 HydrophobicContact CB-CB 4.25Å; C334-K339 PolarHBondContact O-N 2.93Å; C334-K339 VanDerWaalsContact O-N 3.09Å; Q337-K339 VanDerWaalsContact C-N 3.34Å; Q337-K339 HydrophobicContact CB-CD 4.46Å; Q337-K339 HydrophobicContact CB-CG 4.2Å; K339-E341 PolarHBondContact O-N 2.99Å; K339-E342 HydrophobicContact CB-CB 4.36Å; K339-E342 IonicContact NZ-OE1 2.83Å; K339-E342 PolarHBondContact O-N 2.91Å; K339-V343 WeakPolarHBondContact O-CG2 3.07Å; K339-V343 PolarHBondContact O-N 3.01Å
340A86.5Confident90.4Very high38 Ų3847.7 Ų47.731%0.31424%0.237SC..Hα-helixtrans-61.7-38.7-168.900000114.8G338 V343 E344 Q379G338-A340 VanDerWaalsContact C-N 3.34Å; G338-A340 PolarHBondContact O-N 2.96Å; A340-V343 WeakPolarHBondContact O-CB 3.29Å; A340-V343 PolarHBondContact O-N 3.12Å; A340-E344 PolarHBondContact O-N 3.46Å; A340-Q379 HydrophobicContact CB-CG 3.77Å; A340-Q379 PolarHBondContact O-NE2 2.69Å
341E88.2Confident90.5Very high168 Ų16849 Ų4979%0.78524%0.244SC*.Hα-helixtrans-67.2-44.6-178.4-65.2172.8-178.800112.4K339 V343 E344 Y345K339-E341 PolarHBondContact O-N 2.99Å; E341-V343 VanDerWaalsContact C-N 3.27Å; E341-V343 PolarHBondContact O-N 3.43Å; E341-E344 PolarHBondContact O-N 3Å; E341-Y345 PolarHBondContact O-N 2.99Å
342E89.9Confident90.5Very high62 Ų6254.2 Ų54.229%0.2927%0.268SS..Hα-helixtrans-61.4-38.4176.1-71.3-172.2-159.400111.6C334 K339 Y345 Y346C334-E342 HydrophobicContact CB-CB 4.38Å; C334-E342 PolarHBondContact SG-OE2 3.36Å; K339-E342 HydrophobicContact CB-CB 4.36Å; K339-E342 IonicContact NZ-OE1 2.83Å; K339-E342 PolarHBondContact O-N 2.91Å; E342-Y345 PolarHBondContact O-N 3.23Å; E342-Y346 HydrophobicContact CB-CD2 4.3Å; E342-Y346 HydrophobicContact CB-CE2 3.86Å; E342-Y346 WeakPolarHBondContact O-CD2 3.35Å; E342-Y346 PolarHBondContact O-N 3.35Å
343V91.9Very high90.7Very high0 Ų050.3 Ų50.30%025%0.248CC..Hα-helixtrans-63.2-44.3179.1177.80000111.1A331 C334 Q335 K339 A340 E341 Y346 Y347 C375A331-V343 HydrophobicContact CB-CG1 4.35Å; A331-V343 WeakPolarHBondContact O-CG2 3.46Å; C334-V343 HydrophobicContact CB-CG2 3.66Å; Q335-V343 VanDerWaalsContact CA-CG2 3.5Å; Q335-V343 HydrophobicContact CB-CG1 4.19Å; Q335-V343 HydrophobicContact CB-CG2 3.81Å; Q335-V343 HydrophobicContact CG-CG1 4.47Å; K339-V343 WeakPolarHBondContact O-CG2 3.07Å; K339-V343 PolarHBondContact O-N 3.01Å; A340-V343 WeakPolarHBondContact O-CB 3.29Å; A340-V343 PolarHBondContact O-N 3.12Å; E341-V343 VanDerWaalsContact C-N 3.27Å; E341-V343 PolarHBondContact O-N 3.43Å; V343-Y346 PolarHBondContact O-N 3.05Å; V343-Y347 HydrophobicContact CG1-CD2 3.54Å; V343-Y347 HydrophobicContact CG1-CE2 3.51Å; V343-Y347 WeakPolarHBondContact O-CB 3.28Å; V343-Y347 WeakPolarHBondContact O-CD2 3.1Å; V343-Y347 PolarHBondContact O-N 3.15Å; V343-C375 HydrophobicContact CG1-CB 3.95Å; V343-C375 WeakPolarHBondContact CG1-SG 3.48Å
344E90.8Very high90.9Very high22 Ų2250.1 Ų50.110%0.10325%0.246CC..Hα-helixtrans-61.1-46.4176.3-177.8177143.200110.9A340 E341 R348 L372 Y376 Q379 K381A340-E344 PolarHBondContact O-N 3.46Å; E341-E344 PolarHBondContact O-N 3Å; E344-R348 WeakPolarHBondContact O-CB 3.36Å; E344-R348 WeakPolarHBondContact O-CG 3.45Å; E344-R348 PolarHBondContact O-N 3.31Å; E344-R348 IonicContact OE1-CZ 2.72Å; E344-R348 IonicContact OE1-NH1 3.1Å; E344-R348 PolarHBondContact OE1-NH1 3.15Å; E344-R348 IonicContact OE1-NH2 3.24Å; E344-R348 PolarHBondContact OE1-NH2 3.02Å; E344-L372 HydrophobicContact CG-CD1 4.44Å; E344-Y376 HydrophobicContact CG-CE1 3.91Å; E344-Q379 PolarHBondContact OE2-NE2 3.45Å; E344-Q379 PolarHBondContact OE2-OE1 2.87Å; E344-K381 IonicContact OE1-NZ 2.85Å; E344-K381 IonicContact OE2-NZ 3.27Å; E344-K381 PolarHBondContact OE2-NZ 3.18Å
345Y92.9Very high90.8Very high138 Ų13852.1 Ų52.154%0.54126%0.262SS..Hα-helixtrans-58.2-51.6176.1173.6-104.2000112.4E341 E342 R348 R349E341-Y345 PolarHBondContact O-N 2.99Å; E342-Y345 PolarHBondContact O-N 3.23Å; Y345-R348 PolarHBondContact O-N 3.12Å; Y345-R349 WeakPolarHBondContact O-CB 3.31Å; Y345-R349 PolarHBondContact O-N 3.16Å
346Y94Very high90.9Very high26 Ų2655.4 Ų55.410%0.10228%0.284CS..Hα-helixtrans-66.5-40.3-177.8-65.2-48.7000112.8L327 L330 E342 V343 R349 A350L327-Y346 HydrophobicContact CD2-CD1 3.68Å; L327-Y346 HydrophobicContact CD2-CE1 4.42Å; L327-Y346 HydrophobicContact CD2-CG 4.46Å; L330-Y346 HydrophobicContact CD2-CD1 4.04Å; L330-Y346 HydrophobicContact CD2-CD2 4.17Å; L330-Y346 HydrophobicContact CD2-CE1 3.57Å; L330-Y346 HydrophobicContact CD2-CE2 3.75Å; L330-Y346 HydrophobicContact CD2-CG 4.33Å; L330-Y346 VanDerWaalsContact CD2-CZ 3.43Å; L330-Y346 HydrophobicContact CG-CD2 4.06Å; L330-Y346 HydrophobicContact CG-CE1 4.48Å; L330-Y346 HydrophobicContact CG-CE2 3.81Å; E342-Y346 HydrophobicContact CB-CD2 4.3Å; E342-Y346 HydrophobicContact CB-CE2 3.86Å; E342-Y346 WeakPolarHBondContact O-CD2 3.35Å; E342-Y346 PolarHBondContact O-N 3.35Å; V343-Y346 PolarHBondContact O-N 3.05Å; Y346-R349 PolarHBondContact O-N 2.93Å; Y346-A350 WeakPolarHBondContact O-CB 3.28Å; Y346-A350 PolarHBondContact O-N 3.02Å
347Y93.9Very high91Very high2 Ų259.6 Ų59.61%0.00830%0.295CS..Hα-helixtrans-70.9-35.7177.2-80.6-45.8000112.9A331 V343 A350 L351 T368 N371A331-Y347 HydrophobicContact CB-CD1 3.79Å; A331-Y347 HydrophobicContact CB-CD2 3.79Å; A331-Y347 HydrophobicContact CB-CE1 3.59Å; A331-Y347 HydrophobicContact CB-CE2 3.6Å; A331-Y347 HydrophobicContact CB-CG 3.86Å; A331-Y347 VanDerWaalsContact CB-CZ 3.47Å; V343-Y347 HydrophobicContact CG1-CD2 3.54Å; V343-Y347 HydrophobicContact CG1-CE2 3.51Å; V343-Y347 WeakPolarHBondContact O-CB 3.28Å; V343-Y347 WeakPolarHBondContact O-CD2 3.1Å; V343-Y347 PolarHBondContact O-N 3.15Å; Y347-A350 PolarHBondContact O-N 3.09Å; Y347-L351 VanDerWaalsContact O-CB 3.26Å; Y347-L351 WeakPolarHBondContact O-CB 3.31Å; Y347-L351 PolarHBondContact O-N 3.34Å; Y347-T368 HydrophobicContact CD1-CG2 4.07Å; Y347-N371 HydrophobicContact CD1-CB 4.29Å; Y347-N371 HydrophobicContact CE1-CB 3.68Å; Y347-N371 HydrophobicContact CE2-CB 3.94Å
348R92.8Very high90.9Very high120 Ų12060.7 Ų60.745%0.45330%0.302SS..Hα-helixtrans-61.6-47.4172.2-80.6-173.2-177.9138.57.1111.3E344 Y345 A350 L351 E352 L372 Y376E344-R348 WeakPolarHBondContact O-CB 3.36Å; E344-R348 WeakPolarHBondContact O-CG 3.45Å; E344-R348 PolarHBondContact O-N 3.31Å; E344-R348 IonicContact OE1-CZ 2.72Å; E344-R348 IonicContact OE1-NH1 3.1Å; E344-R348 PolarHBondContact OE1-NH1 3.15Å; E344-R348 IonicContact OE1-NH2 3.24Å; E344-R348 PolarHBondContact OE1-NH2 3.02Å; Y345-R348 PolarHBondContact O-N 3.12Å; R348-A350 VanDerWaalsContact C-N 3.34Å; R348-A350 PolarHBondContact O-N 3.36Å; R348-L351 WeakPolarHBondContact O-CB 3.35Å; R348-L351 PolarHBondContact O-N 3.29Å; R348-E352 PolarHBondContact O-N 3.48Å; R348-L372 HydrophobicContact CG-CD2 4.32Å; R348-Y376 PolarHBondContact NH2-OH 3.42Å
349R94Very high90.9Very high49 Ų4958.7 Ų58.719%0.18528%0.281CS..Hα-helixtrans-62.2-41.3177.5-168.2177.9173.3-147.3-10.8112E313 L327 Y345 Y346 I353E313-R349 IonicContact OE1-CZ 2.78Å; E313-R349 IonicContact OE1-NH1 2.62Å; E313-R349 PolarHBondContact OE1-NH1 3.25Å; E313-R349 IonicContact OE1-NH2 2.97Å; E313-R349 PolarHBondContact OE1-NH2 2.93Å; L327-R349 HydrophobicContact CD1-CB 4.15Å; L327-R349 HydrophobicContact CD1-CG 3.81Å; Y345-R349 WeakPolarHBondContact O-CB 3.31Å; Y345-R349 PolarHBondContact O-N 3.16Å; Y346-R349 PolarHBondContact O-N 2.93Å; R349-I353 HydrophobicContact CG-CD1 4.48Å; R349-I353 VanDerWaalsContact O-CG1 3.29Å; R349-I353 WeakPolarHBondContact O-CG1 3.47Å; R349-I353 PolarHBondContact O-N 3.37Å
350A93.9Very high90.5Very high0 Ų059.3 Ų59.30%029%0.292CS..Hα-helixtrans-63.9-40.8174.300000112.2A324 L327 Y346 Y347 R348 I353 Y354 T368A324-A350 HydrophobicContact CB-CB 4.17Å; L327-A350 HydrophobicContact CB-CB 4.02Å; Y346-A350 WeakPolarHBondContact O-CB 3.28Å; Y346-A350 PolarHBondContact O-N 3.02Å; Y347-A350 PolarHBondContact O-N 3.09Å; R348-A350 VanDerWaalsContact C-N 3.34Å; R348-A350 PolarHBondContact O-N 3.36Å; A350-I353 PolarHBondContact O-N 3.01Å; A350-Y354 HydrophobicContact CB-CE2 4.46Å; A350-Y354 WeakPolarHBondContact O-CD2 3.38Å; A350-Y354 PolarHBondContact O-N 3.41Å; A350-T368 HydrophobicContact CB-CG2 4.09Å
351L92.9Very high90.3Very high28 Ų2861.1 Ų61.115%0.14730%0.297CS..Hα-helixtrans-64.6-43178.5-178.462.8000111.7Y347 R348 I353 Y354 A355 V365 T368 K369 L372Y347-L351 VanDerWaalsContact O-CB 3.26Å; Y347-L351 WeakPolarHBondContact O-CB 3.31Å; Y347-L351 PolarHBondContact O-N 3.34Å; R348-L351 WeakPolarHBondContact O-CB 3.35Å; R348-L351 PolarHBondContact O-N 3.29Å; L351-I353 VanDerWaalsContact C-N 3.35Å; L351-I353 PolarHBondContact O-N 2.84Å; L351-Y354 PolarHBondContact O-N 2.9Å; L351-A355 WeakPolarHBondContact O-CB 3.28Å; L351-A355 PolarHBondContact O-N 3.05Å; L351-V365 HydrophobicContact CD1-CG1 3.8Å; L351-T368 HydrophobicContact CB-CG2 4.04Å; L351-K369 HydrophobicContact CD1-CD 4.4Å; L351-K369 HydrophobicContact CD1-CG 3.58Å; L351-K369 HydrophobicContact CD2-CG 3.94Å; L351-K369 HydrophobicContact CG-CG 4.44Å; L351-L372 HydrophobicContact CD2-CD2 4.43Å
352E92.4Very high90.2Very high108 Ų10854.6 Ų54.651%0.50527%0.267SS..Hα-helixtrans-57.3-47.8175.6-176.5-175177.300111.2R348 T356R348-E352 PolarHBondContact O-N 3.48Å; E352-T356 WeakPolarHBondContact O-CB 3.38Å; E352-T356 VanDerWaalsContact O-CG2 3.27Å; E352-T356 WeakPolarHBondContact O-CG2 3.4Å; E352-T356 PolarHBondContact O-N 3.15Å; E352-T356 PolarHBondContact O-OG1 2.86Å
353I92.9Very high90Very high1 Ų155.7 Ų55.71%0.00528%0.279CS..Hα-helixtrans-63.7-47.3178.4-64166.9000111K318 F319 V323 A324 L327 R349 A350 L351 T356 R357K318-I353 WeakPolarHBondContact O-CD1 3.38Å; F319-I353 HydrophobicContact CD1-CG1 4.2Å; F319-I353 WeakPolarHBondContact O-CG2 3.22Å; V323-I353 HydrophobicContact CG1-CD1 4.2Å; A324-I353 HydrophobicContact CB-CB 3.84Å; A324-I353 HydrophobicContact CB-CD1 4.22Å; A324-I353 HydrophobicContact CB-CG2 3.74Å; L327-I353 HydrophobicContact CD1-CD1 3.83Å; R349-I353 HydrophobicContact CG-CD1 4.48Å; R349-I353 VanDerWaalsContact O-CG1 3.29Å; R349-I353 WeakPolarHBondContact O-CG1 3.47Å; R349-I353 PolarHBondContact O-N 3.37Å; A350-I353 PolarHBondContact O-N 3.01Å; L351-I353 VanDerWaalsContact C-N 3.35Å; L351-I353 PolarHBondContact O-N 2.84Å; I353-T356 PolarHBondContact O-OG1 2.97Å; I353-R357 HydrophobicContact CG2-CG 4.33Å; I353-R357 VanDerWaalsContact O-CB 3.29Å; I353-R357 WeakPolarHBondContact O-CB 3.39Å; I353-R357 WeakPolarHBondContact O-CG 3.43Å; I353-R357 PolarHBondContact O-N 2.83Å
354Y92.1Very high89.9Confident10 Ų1058.6 Ų58.64%0.03930%0.295CS..Hα-helixtrans-65-43.2-179.5-71.9-45.6000112.3P321 A324 K325 A350 L351 L358 G359 N364 T368P321-Y354 HydrophobicContact CB-CE1 4.46Å; A324-Y354 HydrophobicContact CB-CD1 3.78Å; A324-Y354 HydrophobicContact CB-CD2 3.92Å; A324-Y354 HydrophobicContact CB-CE1 3.52Å; A324-Y354 HydrophobicContact CB-CE2 3.65Å; A324-Y354 HydrophobicContact CB-CG 4Å; A324-Y354 VanDerWaalsContact CB-CZ 3.46Å; K325-Y354 WeakPolarHBondContact CA-OH 3.48Å; K325-Y354 WeakPolarHBondContact CB-OH 3.49Å; K325-Y354 PolarHBondContact N-OH 3.27Å; A350-Y354 HydrophobicContact CB-CE2 4.46Å; A350-Y354 WeakPolarHBondContact O-CD2 3.38Å; A350-Y354 PolarHBondContact O-N 3.41Å; L351-Y354 PolarHBondContact O-N 2.9Å; Y354-L358 HydrophobicContact CD1-CD1 3.44Å; Y354-L358 VanDerWaalsContact CD1-CD1 3.44Å; Y354-L358 HydrophobicContact CE1-CD1 4.14Å; Y354-L358 HydrophobicContact CG-CD1 4.39Å; Y354-L358 PolarHBondContact O-N 2.84Å; Y354-G359 PolarHBondContact O-N 3.39Å; Y354-N364 HydrophobicContact CD1-CB 4.11Å; Y354-N364 HydrophobicContact CD2-CB 4.17Å; Y354-N364 HydrophobicContact CE1-CB 3.99Å; Y354-N364 HydrophobicContact CE2-CB 4.07Å; Y354-N364 HydrophobicContact CG-CB 4.18Å; Y354-T368 WeakPolarHBondContact CD2-OG1 3.38Å; Y354-T368 WeakPolarHBondContact CE2-OG1 3.38Å
355A89.1Confident89.8Confident41 Ų4157.8 Ų57.834%0.33929%0.292SS..Hα-helixtrans-65.7-39.5-179.400000112.4L351 G359L351-A355 WeakPolarHBondContact O-CB 3.28Å; L351-A355 PolarHBondContact O-N 3.05Å; A355-G359 WeakPolarHBondContact O-CA 3.31Å; A355-G359 PolarHBondContact O-N 3Å
356T89.3Confident89.7Confident96 Ų9652.3 Ų52.359%0.58928%0.275SS*.Hα-helixtrans-77.4-35.2-179.653.10000113.3E352 I353E352-T356 WeakPolarHBondContact O-CB 3.38Å; E352-T356 VanDerWaalsContact O-CG2 3.27Å; E352-T356 WeakPolarHBondContact O-CG2 3.4Å; E352-T356 PolarHBondContact O-N 3.15Å; E352-T356 PolarHBondContact O-OG1 2.86Å; I353-T356 PolarHBondContact O-OG1 2.97Å
357R90.1Very high89.5Confident161 Ų16156.7 Ų56.761%0.60830%0.295SS*.Hα-helixtrans-95.5-40.1-172.5-62.7-65.7-65-171.8-2.8115.1F319 P321 I353F319-R357 VanDerWaalsContact O-CG 3.25Å; F319-R357 WeakPolarHBondContact O-CG 3.39Å; P321-R357 HydrophobicContact CG-CB 4.3Å; I353-R357 HydrophobicContact CG2-CG 4.33Å; I353-R357 VanDerWaalsContact O-CB 3.29Å; I353-R357 WeakPolarHBondContact O-CB 3.39Å; I353-R357 WeakPolarHBondContact O-CG 3.43Å; I353-R357 PolarHBondContact O-N 2.83Å
358L85.4Confident89.4Confident75 Ų7556.8 Ų56.839%0.39330%0.295SS..THydrogen-bonded Turntrans-102-13.3-177.7-66125.2000112.4P321 Y354 D362P321-L358 HydrophobicContact CB-CD1 3.99Å; P321-L358 HydrophobicContact CG-CD1 3.93Å; P321-L358 HydrophobicContact CG-CG 4.38Å; Y354-L358 HydrophobicContact CD1-CD1 3.44Å; Y354-L358 VanDerWaalsContact CD1-CD1 3.44Å; Y354-L358 HydrophobicContact CE1-CD1 4.14Å; Y354-L358 HydrophobicContact CG-CD1 4.39Å; Y354-L358 PolarHBondContact O-N 2.84Å; L358-D362 HydrophobicContact CB-CB 3.73Å
359G85.3Confident89.4Confident21 Ų2152.8 Ų52.822%0.21628%0.281CS..  trans87.4167.5-176.900000113.3Y354 A355 D361 D362 V365Y354-G359 PolarHBondContact O-N 3.39Å; A355-G359 WeakPolarHBondContact O-CA 3.31Å; A355-G359 PolarHBondContact O-N 3Å; G359-D361 VanDerWaalsContact C-N 3.27Å; G359-D361 PolarHBondContact O-N 3.34Å; G359-D362 PolarHBondContact O-N 3.34Å; G359-V365 WeakPolarHBondContact O-CG2 3.45Å
360P82.2Confident89.4Confident79 Ų7951.1 Ų51.151%0.51328%0.276SS..THydrogen-bonded Turntrans-72.5-15.7-171.428.3-35.6000114.6
361D82.1Confident89.3Confident77 Ų7753.7 Ų53.741%0.41229%0.29SS..THydrogen-bonded Turntrans-80.2-13.4178.3-90.8-44.9000114.4G359 R395G359-D361 VanDerWaalsContact C-N 3.27Å; G359-D361 PolarHBondContact O-N 3.34Å; D361-R395 VanDerWaalsContact CG-CZ 3.4Å; D361-R395 IonicContact OD1-CZ 2.75Å; D361-R395 IonicContact OD1-NH1 2.88Å; D361-R395 PolarHBondContact OD1-NH1 2.91Å; D361-R395 IonicContact OD1-NH2 2.68Å; D361-R395 PolarHBondContact OD1-NH2 3.49Å; D361-R395 IonicContact OD2-CZ 2.92Å; D361-R395 IonicContact OD2-NH1 3.34Å; D361-R395 IonicContact OD2-NH2 3.72Å; D361-R395 PolarHBondContact OD2-NH2 2.94Å
362D86.1Confident89.3Confident31 Ų3152.5 Ų52.517%0.16628%0.283CS..  trans-67.6135.6-169.7-173.5-90000111.6L358 G359 N364 V365 A366L358-D362 HydrophobicContact CB-CB 3.73Å; G359-D362 PolarHBondContact O-N 3.34Å; D362-N364 PolarHBondContact O-N 3.01Å; D362-N364 VanDerWaalsContact O-N 3.09Å; D362-N364 WeakPolarHBondContact OD1-CA 3.48Å; D362-N364 WeakPolarHBondContact OD1-CB 3.44Å; D362-N364 VanDerWaalsContact OD1-CG 3.29Å; D362-N364 PolarHBondContact OD1-N 3.21Å; D362-N364 PolarHBondContact OD1-ND2 3.02Å; D362-V365 HydrophobicContact CB-CG2 4.23Å; D362-V365 WeakPolarHBondContact O-CB 3.39Å; D362-V365 PolarHBondContact O-N 3.45Å; D362-A366 PolarHBondContact O-N 3.38Å
363P86.7Confident89.3Confident84 Ų8447.4 Ų47.455%0.54526%0.259SS..Hα-helixtrans-55.7-29.2178.1-2735000114.2A366 K367P363-A366 PolarHBondContact O-N 2.92Å; P363-K367 WeakPolarHBondContact O-CB 3.48Å; P363-K367 PolarHBondContact O-N 2.72Å
364N88.2Confident89.1Confident62 Ų6249.5 Ų49.533%0.33227%0.274SS..Hα-helixtrans-71.1-31.4177.9-58-63.8000112.1Y354 D362 K367 T368Y354-N364 HydrophobicContact CD1-CB 4.11Å; Y354-N364 HydrophobicContact CD2-CB 4.17Å; Y354-N364 HydrophobicContact CE1-CB 3.99Å; Y354-N364 HydrophobicContact CE2-CB 4.07Å; Y354-N364 HydrophobicContact CG-CB 4.18Å; D362-N364 PolarHBondContact O-N 3.01Å; D362-N364 VanDerWaalsContact O-N 3.09Å; D362-N364 WeakPolarHBondContact OD1-CA 3.48Å; D362-N364 WeakPolarHBondContact OD1-CB 3.44Å; D362-N364 VanDerWaalsContact OD1-CG 3.29Å; D362-N364 PolarHBondContact OD1-N 3.21Å; D362-N364 PolarHBondContact OD1-ND2 3.02Å; N364-K367 PolarHBondContact O-N 2.99Å; N364-T368 VanDerWaalsContact O-CB 3.27Å; N364-T368 WeakPolarHBondContact O-CB 3.31Å; N364-T368 PolarHBondContact O-N 3.48Å; N364-T368 PolarHBondContact O-OG1 3.46Å
365V90.5Very high89Confident5 Ų549.2 Ų49.23%0.0327%0.274CS..Hα-helixtrans-61.5-52.5171.6174.90000109.6L351 G359 D362 K367 T368 K369L351-V365 HydrophobicContact CD1-CG1 3.8Å; G359-V365 WeakPolarHBondContact O-CG2 3.45Å; D362-V365 HydrophobicContact CB-CG2 4.23Å; D362-V365 WeakPolarHBondContact O-CB 3.39Å; D362-V365 PolarHBondContact O-N 3.45Å; V365-K367 VanDerWaalsContact C-N 3.31Å; V365-K367 PolarHBondContact O-N 2.65Å; V365-T368 PolarHBondContact O-N 2.91Å; V365-K369 HydrophobicContact CG1-CD 4.43Å; V365-K369 WeakPolarHBondContact O-CG 3.46Å; V365-K369 PolarHBondContact O-N 2.98Å
366A89.7Confident89.2Confident23 Ų2347.9 Ų47.919%0.1926%0.26CS..Hα-helixtrans-60.7-39.5178.600000112.4D362 P363 N370 I392 T447D362-A366 PolarHBondContact O-N 3.38Å; P363-A366 PolarHBondContact O-N 2.92Å; A366-N370 WeakPolarHBondContact O-CB 3.27Å; A366-N370 PolarHBondContact O-N 3.44Å; A366-N370 PolarHBondContact O-ND2 3.35Å; A366-I392 HydrophobicContact CB-CG2 4.24Å; A366-T447 HydrophobicContact CB-CG2 3.92Å
367K90.5Very high89.2Confident118 Ų11845.6 Ų45.651%0.51324%0.244SC..Hα-helixtrans-66.3-40.6177.1-168.4176.4-176179.30111.9P363 N364 V365 N370 N371 T447P363-K367 WeakPolarHBondContact O-CB 3.48Å; P363-K367 PolarHBondContact O-N 2.72Å; N364-K367 PolarHBondContact O-N 2.99Å; V365-K367 VanDerWaalsContact C-N 3.31Å; V365-K367 PolarHBondContact O-N 2.65Å; K367-N370 PolarHBondContact O-N 2.82Å; K367-N371 VanDerWaalsContact O-CG 3.25Å; K367-N371 PolarHBondContact O-N 2.76Å; K367-N371 PolarHBondContact O-ND2 3.33Å; K367-T447 HydrophobicContact CB-CG2 4.46Å
368T91.6Very high89.1Confident3 Ų344.5 Ų44.52%0.01824%0.243CC..Hα-helixtrans-70.2-42.7179.8-54.60000111Y347 A350 L351 Y354 N364 V365 N370 N371 L372Y347-T368 HydrophobicContact CD1-CG2 4.07Å; A350-T368 HydrophobicContact CB-CG2 4.09Å; L351-T368 HydrophobicContact CB-CG2 4.04Å; Y354-T368 WeakPolarHBondContact CD2-OG1 3.38Å; Y354-T368 WeakPolarHBondContact CE2-OG1 3.38Å; N364-T368 VanDerWaalsContact O-CB 3.27Å; N364-T368 WeakPolarHBondContact O-CB 3.31Å; N364-T368 PolarHBondContact O-N 3.48Å; N364-T368 PolarHBondContact O-OG1 3.46Å; V365-T368 PolarHBondContact O-N 2.91Å; T368-N370 VanDerWaalsContact C-N 3.33Å; T368-N370 PolarHBondContact O-N 3.11Å; T368-N371 PolarHBondContact O-N 3.33Å; T368-L372 WeakPolarHBondContact O-CB 3.39Å; T368-L372 PolarHBondContact O-N 3.49Å
369K93.3Very high89.2Confident37 Ų3743.6 Ų43.616%0.16124%0.237CC..Hα-helixtrans-59-41.7171.7-70.2-170.1-179.5-166.40112L351 V365 L372 A373 L388 E391 I392L351-K369 HydrophobicContact CD1-CD 4.4Å; L351-K369 HydrophobicContact CD1-CG 3.58Å; L351-K369 HydrophobicContact CD2-CG 3.94Å; L351-K369 HydrophobicContact CG-CG 4.44Å; V365-K369 HydrophobicContact CG1-CD 4.43Å; V365-K369 WeakPolarHBondContact O-CG 3.46Å; V365-K369 PolarHBondContact O-N 2.98Å; K369-L372 PolarHBondContact O-N 3.29Å; K369-A373 VanDerWaalsContact O-CB 3.32Å; K369-A373 WeakPolarHBondContact O-CB 3.48Å; K369-A373 PolarHBondContact O-N 2.87Å; K369-L388 HydrophobicContact CD-CD2 4.45Å; K369-L388 HydrophobicContact CG-CD2 4.37Å; K369-E391 IonicContact NZ-OE2 2.86Å; K369-E391 PolarHBondContact NZ-OE2 2.84Å; K369-I392 HydrophobicContact CB-CD1 3.6Å; K369-I392 HydrophobicContact CB-CG1 3.79Å; K369-I392 HydrophobicContact CD-CG1 3.96Å
370N92.7Very high89.3Confident13 Ų1344.2 Ų44.27%0.0724%0.244CC..Hα-helixtrans-63-42.2174.9-92.9-39.9000113.2A366 K367 T368 A373 S374 Y389 I392 T447 T451A366-N370 WeakPolarHBondContact O-CB 3.27Å; A366-N370 PolarHBondContact O-N 3.44Å; A366-N370 PolarHBondContact O-ND2 3.35Å; K367-N370 PolarHBondContact O-N 2.82Å; T368-N370 VanDerWaalsContact C-N 3.33Å; T368-N370 PolarHBondContact O-N 3.11Å; N370-A373 PolarHBondContact O-N 3.01Å; N370-S374 WeakPolarHBondContact O-CB 3.4Å; N370-S374 PolarHBondContact O-N 2.87Å; N370-Y389 WeakPolarHBondContact OD1-CD1 3.48Å; N370-Y389 WeakPolarHBondContact OD1-CE1 3.31Å; N370-I392 HydrophobicContact CB-CD1 4.39Å; N370-T447 WeakPolarHBondContact ND2-CG2 3.44Å; N370-T447 PolarHBondContact ND2-O 3.23Å; N370-T447 VanDerWaalsContact ND2-O 3.1Å; N370-T451 PolarHBondContact ND2-OG1 3.01Å; N370-T451 PolarHBondContact OD1-OG1 3.38Å; N370-T451 VanDerWaalsContact OD1-OG1 3.13Å
371N91.9Very high89.8Confident55 Ų5544.1 Ų44.129%0.29424%0.235SC..Hα-helixtrans-67.3-39.2177.3-68.7-18.1000111.8Y347 K367 T368 S374 C375Y347-N371 HydrophobicContact CD1-CB 4.29Å; Y347-N371 HydrophobicContact CE1-CB 3.68Å; Y347-N371 HydrophobicContact CE2-CB 3.94Å; K367-N371 VanDerWaalsContact O-CG 3.25Å; K367-N371 PolarHBondContact O-N 2.76Å; K367-N371 PolarHBondContact O-ND2 3.33Å; T368-N371 PolarHBondContact O-N 3.33Å; N371-S374 WeakPolarHBondContact O-CB 3.27Å; N371-S374 PolarHBondContact O-N 3.29Å; N371-C375 PolarHBondContact O-N 3Å
372L92.5Very high90.2Very high3 Ų344.4 Ų44.42%0.01623%0.231CC..Hα-helixtrans-64.6-45.4174.3-178.960.1000111.4E344 R348 L351 T368 K369 S374 C375 Y376 L388E344-L372 HydrophobicContact CG-CD1 4.44Å; R348-L372 HydrophobicContact CG-CD2 4.32Å; L351-L372 HydrophobicContact CD2-CD2 4.43Å; T368-L372 WeakPolarHBondContact O-CB 3.39Å; T368-L372 PolarHBondContact O-N 3.49Å; K369-L372 PolarHBondContact O-N 3.29Å; L372-S374 VanDerWaalsContact C-N 3.29Å; L372-S374 PolarHBondContact O-N 3.07Å; L372-C375 WeakPolarHBondContact O-CA 3.44Å; L372-C375 WeakPolarHBondContact O-CB 3.44Å; L372-C375 PolarHBondContact O-N 3.46Å; L372-Y376 HydrophobicContact CD1-CE1 4.19Å; L372-Y376 HydrophobicContact CD1-CE2 4.29Å; L372-Y376 HydrophobicContact CD2-CE2 4.32Å; L372-Y376 HydrophobicContact CG-CD2 4.43Å; L372-Y376 HydrophobicContact CG-CE2 3.93Å; L372-Y376 PolarHBondContact O-N 3.4Å; L372-L388 HydrophobicContact CB-CD1 4.04Å; L372-L388 HydrophobicContact CD2-CD1 3.76Å; L372-L388 HydrophobicContact CG-CD1 3.7Å
373A92.6Very high90.5Very high0 Ų050.3 Ų50.30%026%0.258CS..Hα-helixtrans-59.8-40.3174.400000111.4K369 N370 C375 Y376 L377 A385 L388 Y389K369-A373 VanDerWaalsContact O-CB 3.32Å; K369-A373 WeakPolarHBondContact O-CB 3.48Å; K369-A373 PolarHBondContact O-N 2.87Å; N370-A373 PolarHBondContact O-N 3.01Å; A373-C375 VanDerWaalsContact C-N 3.27Å; A373-C375 PolarHBondContact O-N 3.48Å; A373-Y376 PolarHBondContact O-N 3.29Å; A373-L377 WeakPolarHBondContact O-CG 3.35Å; A373-L377 PolarHBondContact O-N 2.96Å; A373-A385 HydrophobicContact CB-CB 4.26Å; A373-L388 HydrophobicContact CB-CB 4.09Å; A373-L388 HydrophobicContact CB-CD1 4.07Å; A373-Y389 HydrophobicContact CB-CD1 3.92Å; A373-Y389 HydrophobicContact CB-CE1 3.37Å; A373-Y389 HydrophobicContact CB-CE2 4.09Å; A373-Y389 VanDerWaalsContact CB-CZ 3.46Å
374S89.9Confident90.7Very high45 Ų4549.8 Ų49.832%0.31525%0.25SS..Hα-helixtrans-61.8-33.3172.7-175.40000113N370 N371 L372 K378N370-S374 WeakPolarHBondContact O-CB 3.4Å; N370-S374 PolarHBondContact O-N 2.87Å; N371-S374 WeakPolarHBondContact O-CB 3.27Å; N371-S374 PolarHBondContact O-N 3.29Å; L372-S374 VanDerWaalsContact C-N 3.29Å; L372-S374 PolarHBondContact O-N 3.07Å; S374-K378 WeakPolarHBondContact O-CG 3.4Å; S374-K378 PolarHBondContact O-N 3.33Å
375C90Very high90.9Very high4 Ų446.8 Ų46.83%0.02724%0.235CC..Hα-helixtrans-65-49171.7-171.40000111.1V343 N371 L372 A373 L377 K378 Q379V343-C375 HydrophobicContact CG1-CB 3.95Å; V343-C375 WeakPolarHBondContact CG1-SG 3.48Å; N371-C375 PolarHBondContact O-N 3Å; L372-C375 WeakPolarHBondContact O-CA 3.44Å; L372-C375 WeakPolarHBondContact O-CB 3.44Å; L372-C375 PolarHBondContact O-N 3.46Å; A373-C375 VanDerWaalsContact C-N 3.27Å; A373-C375 PolarHBondContact O-N 3.48Å; C375-L377 VanDerWaalsContact C-N 3.32Å; C375-L377 PolarHBondContact O-N 3.12Å; C375-K378 WeakPolarHBondContact O-CB 3.33Å; C375-K378 PolarHBondContact O-N 3.27Å; C375-Q379 WeakPolarHBondContact O-CG 3.48Å; C375-Q379 PolarHBondContact O-N 3.5Å; C375-Q379 PolarHBondContact SG-NE2 3.06Å
376Y91.9Very high91Very high14 Ų1447.6 Ų47.66%0.05524%0.238CC..Hα-helixtrans-59.9-39.1177.2-68.4-28.4000113.2E344 R348 L372 A373 K378 Q379 G380 K381 D384 L388E344-Y376 HydrophobicContact CG-CE1 3.91Å; R348-Y376 PolarHBondContact NH2-OH 3.42Å; L372-Y376 HydrophobicContact CD1-CE1 4.19Å; L372-Y376 HydrophobicContact CD1-CE2 4.29Å; L372-Y376 HydrophobicContact CD2-CE2 4.32Å; L372-Y376 HydrophobicContact CG-CD2 4.43Å; L372-Y376 HydrophobicContact CG-CE2 3.93Å; L372-Y376 PolarHBondContact O-N 3.4Å; A373-Y376 PolarHBondContact O-N 3.29Å; Y376-K378 VanDerWaalsContact C-N 3.27Å; Y376-K378 PolarHBondContact O-N 3.47Å; Y376-Q379 CarbonylContact O-C 3.59Å; Y376-Q379 PolarHBondContact O-N 2.99Å; Y376-Q379 VanDerWaalsContact O-N 3.1Å; Y376-G380 PolarHBondContact O-N 3.26Å; Y376-K381 HydrophobicContact CD1-CB 4.38Å; Y376-K381 HydrophobicContact CD1-CD 3.95Å; Y376-K381 HydrophobicContact CE1-CD 4.31Å; Y376-K381 HydrophobicContact CG-CB 4.38Å; Y376-K381 PolarHBondContact O-N 3.06Å; Y376-D384 HydrophobicContact CD2-CB 3.5Å; Y376-D384 HydrophobicContact CE2-CB 3.64Å; Y376-D384 HydrophobicContact CG-CB 4.03Å; Y376-L388 HydrophobicContact CD2-CD1 3.73Å; Y376-L388 HydrophobicContact CE2-CD1 3.54Å; Y376-L388 HydrophobicContact CE2-CG 4.42Å
377L89.9Confident91.2Very high48 Ų4850 Ų5025%0.25125%0.251SS..Hα-helixtrans-58.1-38.5173.2-71-177.2000112.7A373 C375 G380 Y382 A385 Y389 L458A373-L377 WeakPolarHBondContact O-CG 3.35Å; A373-L377 PolarHBondContact O-N 2.96Å; C375-L377 VanDerWaalsContact C-N 3.32Å; C375-L377 PolarHBondContact O-N 3.12Å; L377-G380 PolarHBondContact O-N 3.17Å; L377-Y382 HydrophobicContact CD2-CD1 3.77Å; L377-Y382 HydrophobicContact CD2-CE1 4.16Å; L377-A385 HydrophobicContact CD2-CB 3.75Å; L377-A385 HydrophobicContact CG-CB 3.99Å; L377-Y389 HydrophobicContact CD1-CE2 4.3Å; L377-Y389 WeakPolarHBondContact CD1-OH 3.48Å; L377-L458 HydrophobicContact CD2-CD1 4.06Å; L377-L458 HydrophobicContact CD2-CD2 3.44Å; L377-L458 VanDerWaalsContact CD2-CD2 3.44Å; L377-L458 HydrophobicContact CD2-CG 3.92Å
378K87.6Confident91.3Very high137 Ų13745.2 Ų45.260%0.59623%0.23SC*.Hα-helixtrans-73-30176.9-71178-179.6175.90112.4Q335 S374 C375 Y376 G380Q335-K378 VanDerWaalsContact CD-NZ 3.26Å; Q335-K378 HydrophobicContact CG-CD 4.35Å; S374-K378 WeakPolarHBondContact O-CG 3.4Å; S374-K378 PolarHBondContact O-N 3.33Å; C375-K378 WeakPolarHBondContact O-CB 3.33Å; C375-K378 PolarHBondContact O-N 3.27Å; Y376-K378 VanDerWaalsContact C-N 3.27Å; Y376-K378 PolarHBondContact O-N 3.47Å; K378-G380 VanDerWaalsContact C-N 3.32Å
379Q87.6Confident91.3Very high56 Ų5645.2 Ų45.226%0.26223%0.23SC..Hα-helixtrans-80-11.4175.8-65.2-178.428.300113.3A340 E344 C375 Y376 K381A340-Q379 HydrophobicContact CB-CG 3.77Å; A340-Q379 PolarHBondContact O-NE2 2.69Å; E344-Q379 PolarHBondContact OE2-NE2 3.45Å; E344-Q379 PolarHBondContact OE2-OE1 2.87Å; C375-Q379 WeakPolarHBondContact O-CG 3.48Å; C375-Q379 PolarHBondContact O-N 3.5Å; C375-Q379 PolarHBondContact SG-NE2 3.06Å; Y376-Q379 CarbonylContact O-C 3.59Å; Y376-Q379 PolarHBondContact O-N 2.99Å; Y376-Q379 VanDerWaalsContact O-N 3.1Å; Q379-K381 VanDerWaalsContact C-N 3.31Å; Q379-K381 HydrophobicContact CB-CD 4.43Å; Q379-K381 HydrophobicContact CB-CG 4.22Å
380G87.8Confident91.2Very high35 Ų3545.1 Ų45.136%0.36123%0.23SC..THydrogen-bonded Turntrans81.86.1-173.200000114.5Y376 L377 K378 Y382Y376-G380 PolarHBondContact O-N 3.26Å; L377-G380 PolarHBondContact O-N 3.17Å; K378-G380 VanDerWaalsContact C-N 3.32Å; G380-Y382 VanDerWaalsContact O-CD2 3.23Å; G380-Y382 WeakPolarHBondContact O-CD2 3.34Å; G380-Y382 PolarHBondContact O-N 3.02Å
381K92.4Very high91.2Very high76 Ų7648.2 Ų48.233%0.3324%0.244SC..  trans-79.868.2175.1-64.3178.9-177170.10110.6E344 Y376 Q379 Q383 D384 A385E344-K381 IonicContact OE1-NZ 2.85Å; E344-K381 IonicContact OE2-NZ 3.27Å; E344-K381 PolarHBondContact OE2-NZ 3.18Å; Y376-K381 HydrophobicContact CD1-CB 4.38Å; Y376-K381 HydrophobicContact CD1-CD 3.95Å; Y376-K381 HydrophobicContact CE1-CD 4.31Å; Y376-K381 HydrophobicContact CG-CB 4.38Å; Y376-K381 PolarHBondContact O-N 3.06Å; Q379-K381 VanDerWaalsContact C-N 3.31Å; Q379-K381 HydrophobicContact CB-CD 4.43Å; Q379-K381 HydrophobicContact CB-CG 4.22Å; K381-Q383 PolarHBondContact O-N 3.38Å; K381-D384 HydrophobicContact CB-CB 4.35Å; K381-A385 PolarHBondContact O-N 2.82Å
382Y91.3Very high91.1Very high83 Ų8346 Ų4633%0.32523%0.232SC..Hα-helixtrans-67.1-34.9-171.8-61-62000113.7L377 G380 A385 E386 L458 R461L377-Y382 HydrophobicContact CD2-CD1 3.77Å; L377-Y382 HydrophobicContact CD2-CE1 4.16Å; G380-Y382 VanDerWaalsContact O-CD2 3.23Å; G380-Y382 WeakPolarHBondContact O-CD2 3.34Å; G380-Y382 PolarHBondContact O-N 3.02Å; Y382-A385 PolarHBondContact O-N 2.91Å; Y382-E386 WeakPolarHBondContact O-CB 3.35Å; Y382-E386 PolarHBondContact O-N 3.35Å; Y382-L458 HydrophobicContact CD1-CD2 3.72Å; Y382-L458 HydrophobicContact CG-CD2 4.3Å; Y382-R461 VanDerWaalsContact CZ-NH2 3.27Å; Y382-R461 PolarHBondContact OH-NH2 3.49Å
383Q91.3Very high90.8Very high155 Ų15546 Ų4672%0.72423%0.232SC*.Hα-helixtrans-66.8-41.6179.1-70-179.2-16.600112.3K381 A385 E386 T387K381-Q383 PolarHBondContact O-N 3.38Å; Q383-A385 VanDerWaalsContact C-N 3.34Å; Q383-A385 PolarHBondContact O-N 3.4Å; Q383-E386 PolarHBondContact O-N 2.87Å; Q383-T387 PolarHBondContact O-N 3.37Å; Q383-T387 PolarHBondContact O-OG1 3.5Å
384D91.3Very high90.6Very high73 Ų7347.3 Ų47.339%0.3924%0.24SC..Hα-helixtrans-65.2-39.8176.7-61.1-29000111.3Y376 K381 T387 L388Y376-D384 HydrophobicContact CD2-CB 3.5Å; Y376-D384 HydrophobicContact CE2-CB 3.64Å; Y376-D384 HydrophobicContact CG-CB 4.03Å; K381-D384 HydrophobicContact CB-CB 4.35Å; D384-T387 PolarHBondContact O-N 3.45Å; D384-L388 WeakPolarHBondContact O-CG 3.44Å; D384-L388 PolarHBondContact O-N 3.31Å; D384-L388 VanDerWaalsContact O-N 3.14Å
385A92.5Very high90.5Very high0 Ų048.1 Ų48.10%024%0.236CC..Hα-helixtrans-64.7-42.2175.300000112.1A373 L377 K381 Y382 Q383 L388 Y389 L458A373-A385 HydrophobicContact CB-CB 4.26Å; L377-A385 HydrophobicContact CD2-CB 3.75Å; L377-A385 HydrophobicContact CG-CB 3.99Å; K381-A385 PolarHBondContact O-N 2.82Å; Y382-A385 PolarHBondContact O-N 2.91Å; Q383-A385 VanDerWaalsContact C-N 3.34Å; Q383-A385 PolarHBondContact O-N 3.4Å; A385-L388 PolarHBondContact O-N 2.98Å; A385-Y389 HydrophobicContact CB-CE2 4.44Å; A385-Y389 WeakPolarHBondContact O-CD2 3.49Å; A385-Y389 PolarHBondContact O-N 3.3Å; A385-L458 HydrophobicContact CB-CD1 4.27Å
386E92.3Very high90.2Very high22 Ų2248.7 Ų48.710%0.10324%0.241CC..Hα-helixtrans-60.1-47.1176.3-173.1-174.815800111.3Y382 Q383 L388 Y389 K390 L455 L458 Y459 Q462Y382-E386 WeakPolarHBondContact O-CB 3.35Å; Y382-E386 PolarHBondContact O-N 3.35Å; Q383-E386 PolarHBondContact O-N 2.87Å; E386-L388 PolarHBondContact O-N 2.88Å; E386-Y389 PolarHBondContact O-N 3.41Å; E386-K390 HydrophobicContact CG-CD 4.22Å; E386-K390 WeakPolarHBondContact O-CG 3.1Å; E386-K390 PolarHBondContact O-N 2.87Å; E386-K390 WeakPolarHBondContact OE1-CE 3.25Å; E386-K390 IonicContact OE1-NZ 3.62Å; E386-K390 PolarHBondContact OE1-NZ 2.91Å; E386-L455 HydrophobicContact CG-CD1 3.82Å; E386-L458 HydrophobicContact CB-CD1 4.19Å; E386-Y459 HydrophobicContact CG-CE1 4.34Å; E386-Q462 PolarHBondContact OE2-NE2 3.36Å
387T93.8Very high89.7Confident74 Ų7448.2 Ų48.245%0.45424%0.239SC..Hα-helixtrans-58.7-46.8178.8-53.30000111.1Q383 D384 Y389 K390 E391Q383-T387 PolarHBondContact O-N 3.37Å; Q383-T387 PolarHBondContact O-OG1 3.5Å; D384-T387 PolarHBondContact O-N 3.45Å; T387-Y389 PolarHBondContact O-N 3.3Å; T387-K390 PolarHBondContact O-N 3.02Å; T387-E391 WeakPolarHBondContact O-CG 3.27Å; T387-E391 PolarHBondContact O-N 3.03Å
388L93.1Very high89.5Confident16 Ų1649.3 Ų49.38%0.08424%0.243CC..Hα-helixtrans-61.8-39.6176.6-73.3178.7000113K369 L372 A373 Y376 D384 A385 E386 E391 I392K369-L388 HydrophobicContact CD-CD2 4.45Å; K369-L388 HydrophobicContact CG-CD2 4.37Å; L372-L388 HydrophobicContact CB-CD1 4.04Å; L372-L388 HydrophobicContact CD2-CD1 3.76Å; L372-L388 HydrophobicContact CG-CD1 3.7Å; A373-L388 HydrophobicContact CB-CB 4.09Å; A373-L388 HydrophobicContact CB-CD1 4.07Å; Y376-L388 HydrophobicContact CD2-CD1 3.73Å; Y376-L388 HydrophobicContact CE2-CD1 3.54Å; Y376-L388 HydrophobicContact CE2-CG 4.42Å; D384-L388 WeakPolarHBondContact O-CG 3.44Å; D384-L388 PolarHBondContact O-N 3.31Å; D384-L388 VanDerWaalsContact O-N 3.14Å; A385-L388 PolarHBondContact O-N 2.98Å; E386-L388 PolarHBondContact O-N 2.88Å; L388-E391 PolarHBondContact O-N 3.25Å; L388-I392 VanDerWaalsContact O-CG1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.34Å; L388-I392 PolarHBondContact O-N 3.25Å; L388-I392 VanDerWaalsContact O-N 3.13Å
389Y92.2Very high89.2Confident4 Ų448.7 Ų48.72%0.01624%0.24CC..Hα-helixtrans-68.2-39.9175.9-66.8-38.4000112N370 A373 L377 A385 E386 T387 E391 I392 L393 T451 S454 L455 L458N370-Y389 WeakPolarHBondContact OD1-CD1 3.48Å; N370-Y389 WeakPolarHBondContact OD1-CE1 3.31Å; A373-Y389 HydrophobicContact CB-CD1 3.92Å; A373-Y389 HydrophobicContact CB-CE1 3.37Å; A373-Y389 HydrophobicContact CB-CE2 4.09Å; A373-Y389 VanDerWaalsContact CB-CZ 3.46Å; L377-Y389 HydrophobicContact CD1-CE2 4.3Å; L377-Y389 WeakPolarHBondContact CD1-OH 3.48Å; A385-Y389 HydrophobicContact CB-CE2 4.44Å; A385-Y389 WeakPolarHBondContact O-CD2 3.49Å; A385-Y389 PolarHBondContact O-N 3.3Å; E386-Y389 PolarHBondContact O-N 3.41Å; T387-Y389 PolarHBondContact O-N 3.3Å; Y389-E391 VanDerWaalsContact C-N 3.34Å; Y389-E391 PolarHBondContact O-N 2.88Å; Y389-I392 HydrophobicContact CD1-CD1 4.39Å; Y389-I392 PolarHBondContact O-N 3.18Å; Y389-L393 WeakPolarHBondContact O-CG 2.88Å; Y389-L393 PolarHBondContact O-N 3.1Å; Y389-T451 HydrophobicContact CD1-CG2 3.73Å; Y389-T451 HydrophobicContact CG-CG2 4.07Å; Y389-S454 WeakPolarHBondContact OH-CB 3.37Å; Y389-L455 HydrophobicContact CD2-CB 4.36Å; Y389-L458 HydrophobicContact CD2-CD1 3.66Å; Y389-L458 HydrophobicContact CE2-CD1 3.72Å
390K91.6Very high88.7Confident34 Ų3450.4 Ų50.415%0.14825%0.249CC..Hα-helixtrans-60.3-42.5173.7-74.3178.8169.51780111.4E386 T387 L393 T394 W412 E416 Y459E386-K390 HydrophobicContact CG-CD 4.22Å; E386-K390 WeakPolarHBondContact O-CG 3.1Å; E386-K390 PolarHBondContact O-N 2.87Å; E386-K390 WeakPolarHBondContact OE1-CE 3.25Å; E386-K390 IonicContact OE1-NZ 3.62Å; E386-K390 PolarHBondContact OE1-NZ 2.91Å; T387-K390 PolarHBondContact O-N 3.02Å; K390-L393 PolarHBondContact O-N 3.11Å; K390-T394 VanDerWaalsContact O-CB 3.32Å; K390-T394 WeakPolarHBondContact O-CB 3.4Å; K390-T394 PolarHBondContact O-N 2.83Å; K390-T394 PolarHBondContact O-OG1 3.04Å; K390-W412 HydrophobicContact CB-CD2 4.27Å; K390-W412 HydrophobicContact CB-CZ2 4.33Å; K390-W412 HydrophobicContact CD-CD2 4.05Å; K390-W412 HydrophobicContact CD-CE3 3.77Å; K390-W412 HydrophobicContact CD-CH2 4.14Å; K390-W412 HydrophobicContact CD-CZ2 4.4Å; K390-W412 HydrophobicContact CD-CZ3 3.81Å; K390-W412 VanDerWaalsContact CE-CE3 3.42Å; K390-W412 HydrophobicContact CG-CD2 3.76Å; K390-W412 HydrophobicContact CG-CE3 4Å; K390-W412 HydrophobicContact CG-CG 4.07Å; K390-W412 HydrophobicContact CG-CZ2 4.46Å; K390-W412 HydrophobicContact CG-CZ3 4.44Å; K390-E416 IonicContact NZ-OE1 2.91Å; K390-E416 PolarHBondContact NZ-OE1 2.79Å; K390-E416 IonicContact NZ-OE2 3.68Å; K390-E416 PolarHBondContact NZ-OE2 2.89Å; K390-Y459 WeakPolarHBondContact CE-OH 3.49Å; K390-Y459 PolarHBondContact NZ-OH 2.89Å
391E91Very high88.1Confident78 Ų7851.7 Ų51.736%0.36424%0.244SC..Hα-helixtrans-61.1-44.9175.1-73.5174.8-159.800112.6K369 T387 L388 Y389 L393 T394 R395K369-E391 IonicContact NZ-OE2 2.86Å; K369-E391 PolarHBondContact NZ-OE2 2.84Å; T387-E391 WeakPolarHBondContact O-CG 3.27Å; T387-E391 PolarHBondContact O-N 3.03Å; L388-E391 PolarHBondContact O-N 3.25Å; Y389-E391 VanDerWaalsContact C-N 3.34Å; Y389-E391 PolarHBondContact O-N 2.88Å; E391-L393 PolarHBondContact O-N 3.48Å; E391-T394 PolarHBondContact O-N 3.26Å; E391-R395 VanDerWaalsContact O-CB 3.31Å; E391-R395 WeakPolarHBondContact O-CB 3.35Å; E391-R395 PolarHBondContact O-N 3.49Å
392I89.7Confident87.4Confident8 Ų849.9 Ų49.94%0.04125%0.247CC..Hα-helixtrans-61.5-45.8178-65.5165.6000110.5A366 K369 N370 L388 Y389 R395 A396 T451A366-I392 HydrophobicContact CB-CG2 4.24Å; K369-I392 HydrophobicContact CB-CD1 3.6Å; K369-I392 HydrophobicContact CB-CG1 3.79Å; K369-I392 HydrophobicContact CD-CG1 3.96Å; N370-I392 HydrophobicContact CB-CD1 4.39Å; L388-I392 VanDerWaalsContact O-CG1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.34Å; L388-I392 PolarHBondContact O-N 3.25Å; L388-I392 VanDerWaalsContact O-N 3.13Å; Y389-I392 HydrophobicContact CD1-CD1 4.39Å; Y389-I392 PolarHBondContact O-N 3.18Å; I392-R395 PolarHBondContact O-N 3.41Å; I392-A396 VanDerWaalsContact O-CB 3.29Å; I392-A396 WeakPolarHBondContact O-CB 3.31Å; I392-A396 PolarHBondContact O-N 3.23Å; I392-T451 HydrophobicContact CB-CG2 4Å; I392-T451 HydrophobicContact CD1-CG2 4.26Å; I392-T451 HydrophobicContact CG2-CG2 4.02Å
393L86.9Confident87Confident3 Ų350 Ų502%0.01626%0.26CS..Hα-helixtrans-68.8-40.1-179-67.4179.8000112.3Y389 K390 E391 R395 A396 H397 W412 V448 T451 L452 L455 L471Y389-L393 WeakPolarHBondContact O-CG 2.88Å; Y389-L393 PolarHBondContact O-N 3.1Å; K390-L393 PolarHBondContact O-N 3.11Å; E391-L393 PolarHBondContact O-N 3.48Å; L393-R395 VanDerWaalsContact C-N 3.34Å; L393-A396 PolarHBondContact O-N 3.32Å; L393-H397 VanDerWaalsContact O-CB 3.29Å; L393-H397 WeakPolarHBondContact O-CB 3.47Å; L393-H397 PolarHBondContact O-N 3.41Å; L393-W412 HydrophobicContact CD1-CB 4.18Å; L393-V448 HydrophobicContact CD2-CG1 3.95Å; L393-T451 HydrophobicContact CD1-CG2 4.37Å; L393-T451 HydrophobicContact CD2-CG2 3.89Å; L393-T451 HydrophobicContact CG-CG2 3.77Å; L393-L452 HydrophobicContact CD1-CD2 3.95Å; L393-L452 HydrophobicContact CD2-CD2 3.6Å; L393-L452 HydrophobicContact CD2-CG 3.86Å; L393-L452 HydrophobicContact CG-CD2 4.45Å; L393-L455 HydrophobicContact CD1-CD2 3.52Å; L393-L471 HydrophobicContact CD1-CD2 4.24Å
394T88.4Confident86.5Confident28 Ų2844.6 Ų44.617%0.17224%0.237CC..Hα-helixtrans-62.7-45.2175.6-53.70000110.1K390 E391 A396 H397 E398 V404 P410 W412K390-T394 VanDerWaalsContact O-CB 3.32Å; K390-T394 WeakPolarHBondContact O-CB 3.4Å; K390-T394 PolarHBondContact O-N 2.83Å; K390-T394 PolarHBondContact O-OG1 3.04Å; E391-T394 PolarHBondContact O-N 3.26Å; T394-A396 PolarHBondContact O-N 3.41Å; T394-H397 WeakPolarHBondContact O-CB 3.43Å; T394-H397 PolarHBondContact O-N 2.88Å; T394-E398 WeakPolarHBondContact O-CG 3.4Å; T394-E398 PolarHBondContact O-N 3.33Å; T394-V404 HydrophobicContact CG2-CG2 4.13Å; T394-P410 HydrophobicContact CG2-CG 4Å; T394-W412 PolarHBondContact OG1-NE1 2.89Å
395R87.1Confident85.7Confident62 Ų6246.1 Ų46.123%0.23425%0.245CC..Hα-helixtrans-69.2-37.1-179-168.361.3-174.675.3-3.4113.3D361 E391 I392 L393 H397 E398 K399D361-R395 VanDerWaalsContact CG-CZ 3.4Å; D361-R395 IonicContact OD1-CZ 2.75Å; D361-R395 IonicContact OD1-NH1 2.88Å; D361-R395 PolarHBondContact OD1-NH1 2.91Å; D361-R395 IonicContact OD1-NH2 2.68Å; D361-R395 PolarHBondContact OD1-NH2 3.49Å; D361-R395 IonicContact OD2-CZ 2.92Å; D361-R395 IonicContact OD2-NH1 3.34Å; D361-R395 IonicContact OD2-NH2 3.72Å; D361-R395 PolarHBondContact OD2-NH2 2.94Å; E391-R395 VanDerWaalsContact O-CB 3.31Å; E391-R395 WeakPolarHBondContact O-CB 3.35Å; E391-R395 PolarHBondContact O-N 3.49Å; I392-R395 PolarHBondContact O-N 3.41Å; L393-R395 VanDerWaalsContact C-N 3.34Å; R395-H397 VanDerWaalsContact C-N 3.3Å; R395-E398 PolarHBondContact O-N 3.26Å; R395-K399 WeakPolarHBondContact O-CB 3.43Å; R395-K399 PolarHBondContact O-N 3.01Å; R395-K399 VanDerWaalsContact O-N 3.07Å
396A84.4Confident84.7Confident16 Ų1648.9 Ų48.913%0.13227%0.274CS..Hα-helixtrans-64.2-37.5172.700000111.6I392 L393 T394 E400 V443 V448I392-A396 VanDerWaalsContact O-CB 3.29Å; I392-A396 WeakPolarHBondContact O-CB 3.31Å; I392-A396 PolarHBondContact O-N 3.23Å; L393-A396 PolarHBondContact O-N 3.32Å; T394-A396 PolarHBondContact O-N 3.41Å; A396-E400 WeakPolarHBondContact O-CG 3.43Å; A396-E400 PolarHBondContact O-N 3.17Å; A396-V443 HydrophobicContact CB-CG1 4.36Å; A396-V448 HydrophobicContact CB-CG1 4.49Å; A396-V448 HydrophobicContact CB-CG2 3.94Å
397H82Confident83.5Confident5 Ų553.7 Ų53.72%0.02330%0.301CS..Hα-helixtrans-66.7-47.8174.2-178.686.2000111.6L393 T394 R395 K399 E400 F401 N408 K409 P410L393-H397 VanDerWaalsContact O-CB 3.29Å; L393-H397 WeakPolarHBondContact O-CB 3.47Å; L393-H397 PolarHBondContact O-N 3.41Å; T394-H397 WeakPolarHBondContact O-CB 3.43Å; T394-H397 PolarHBondContact O-N 2.88Å; R395-H397 VanDerWaalsContact C-N 3.3Å; H397-K399 VanDerWaalsContact C-N 3.25Å; H397-K399 PolarHBondContact O-N 3.31Å; H397-E400 PolarHBondContact O-N 2.98Å; H397-E400 VanDerWaalsContact O-N 3.13Å; H397-F401 AromaticContact CE1-CD2 3.69Å; H397-F401 AromaticContact ND1-CD2 3.49Å; H397-F401 WeakPolarHBondContact ND1-CD2 3.29Å; H397-F401 VanDerWaalsContact O-CD2 3.31Å; H397-F401 WeakPolarHBondContact O-CD2 3.49Å; H397-F401 PolarHBondContact O-N 3.45Å; H397-N408 PolarHBondContact CE1-OD1 2.9Å; H397-N408 VanDerWaalsContact NE2-CG 3.3Å; H397-N408 PolarHBondContact NE2-ND2 2.94Å; H397-N408 PolarHBondContact NE2-O 3.47Å; H397-N408 PolarHBondContact NE2-OD1 3.18Å; H397-K409 PolarHBondContact CE1-O 3.36Å; H397-P410 HydrophobicContact CB-CB 4.16Å; H397-P410 HydrophobicContact CB-CG 4.49Å
398E84.9Confident82.6Confident70 Ų7051.9 Ų51.933%0.32729%0.288SS..Hα-helixtrans-60.7-35.3179.2-74.7175.7163.400113.3T394 R395 E400 G402 V404T394-E398 WeakPolarHBondContact O-CG 3.4Å; T394-E398 PolarHBondContact O-N 3.33Å; R395-E398 PolarHBondContact O-N 3.26Å; E398-E400 VanDerWaalsContact C-N 3.32Å; E398-E400 PolarHBondContact O-N 2.99Å; E398-G402 VanDerWaalsContact CA-O 3.31Å; E398-G402 WeakPolarHBondContact CA-O 3.11Å; E398-G402 VanDerWaalsContact O-CA 3.25Å; E398-G402 WeakPolarHBondContact O-CA 3.45Å; E398-G402 PolarHBondContact O-N 2.86Å; E398-V404 HydrophobicContact CG-CG2 3.93Å
399K82.4Confident82Confident124 Ų12453.8 Ų53.854%0.53930%0.296SS..Hα-helixtrans-62.1-39.9176.7-174.1-174.4174.2-1730112.4R395 H397R395-K399 WeakPolarHBondContact O-CB 3.43Å; R395-K399 PolarHBondContact O-N 3.01Å; R395-K399 VanDerWaalsContact O-N 3.07Å; H397-K399 VanDerWaalsContact C-N 3.25Å; H397-K399 PolarHBondContact O-N 3.31Å
400E77.1Confident81.6Confident93 Ų9353.6 Ų53.644%0.43530%0.295SS..Hα-helixtrans-95.5-29.8-171.9-63.6-67.2147.400112.8A396 H397 E398 V443A396-E400 WeakPolarHBondContact O-CG 3.43Å; A396-E400 PolarHBondContact O-N 3.17Å; H397-E400 PolarHBondContact O-N 2.98Å; H397-E400 VanDerWaalsContact O-N 3.13Å; E398-E400 VanDerWaalsContact C-N 3.32Å; E398-E400 PolarHBondContact O-N 2.99Å; E400-V443 HydrophobicContact CG-CG2 4.14Å
401F73.9Confident81.1Confident62 Ų6252.9 Ų52.927%0.27229%0.292SS..Hα-helixtrans-121.52.7-172.6-52.4-72.1000114.1H397 N408 K439 A440H397-F401 AromaticContact CE1-CD2 3.69Å; H397-F401 AromaticContact ND1-CD2 3.49Å; H397-F401 WeakPolarHBondContact ND1-CD2 3.29Å; H397-F401 VanDerWaalsContact O-CD2 3.31Å; H397-F401 WeakPolarHBondContact O-CD2 3.49Å; H397-F401 PolarHBondContact O-N 3.45Å; F401-N408 WeakPolarHBondContact CB-OD1 3.17Å; F401-N408 PolarHBondContact O-ND2 3.41Å; F401-K439 HydrophobicContact CE1-CB 4.13Å; F401-K439 WeakPolarHBondContact CE1-O 3.49Å; F401-K439 VanDerWaalsContact CZ-C 3.49Å; F401-K439 WeakPolarHBondContact CZ-O 3.46Å; F401-A440 HydrophobicContact CD2-CB 4.29Å; F401-A440 HydrophobicContact CE2-CB 3.98Å; F401-A440 HydrophobicContact CZ-CB 4.34Å
402G78.8Confident80.8Confident37 Ų3751 Ų5138%0.38128%0.282SS..  trans74.4-166.6-176.300000113E398 N408E398-G402 VanDerWaalsContact CA-O 3.31Å; E398-G402 WeakPolarHBondContact CA-O 3.11Å; E398-G402 VanDerWaalsContact O-CA 3.25Å; E398-G402 WeakPolarHBondContact O-CA 3.45Å; E398-G402 PolarHBondContact O-N 2.86Å; G402-N408 PolarHBondContact O-ND2 3.29Å
403S81.8Confident80.6Confident85 Ų8553.1 Ų53.159%0.59429%0.293SS*.SBendtrans-58.6147.2-173-163.30000113.2N405 N408S403-N405 PolarHBondContact O-N 2.87Å; S403-N405 PolarHBondContact O-OD1 3.12Å; S403-N408 PolarHBondContact O-ND2 3.5Å
404V80.4Confident80.4Confident43 Ų4355.2 Ų55.226%0.26130%0.302SS..  trans-72.1111.2178.7176.80000109.6T394 E398 N408 P410 M413T394-V404 HydrophobicContact CG2-CG2 4.13Å; E398-V404 HydrophobicContact CG-CG2 3.93Å; V404-N408 WeakPolarHBondContact CA-O 3.48Å; V404-P410 HydrophobicContact CG1-CG 4.38Å; V404-P410 HydrophobicContact CG2-CG 3.82Å; V404-M413 HydrophobicContact CG1-CE 3.65Å
405N76.5Confident80.1Confident104 Ų10454 Ų5456%0.55630%0.295SS*.BIsolated β-bridgetrans-118.9173.3178.4-65.54.9000110.2S403 D407 N408S403-N405 PolarHBondContact O-N 2.87Å; S403-N405 PolarHBondContact O-OD1 3.12Å; N405-D407 PolarHBondContact O-N 3.12Å; N405-N408 HydrophobicContact CB-CB 4.46Å; N405-N408 CarbonylContact O-C 3.6Å; N405-N408 PolarHBondContact O-N 3.42Å
406G69.7Low80.1Confident59 Ų5952.5 Ų52.561%0.60829%0.291SS*.THydrogen-bonded Turntrans-52.2-32.1-179.400000115K409G406-K409 WeakPolarHBondContact O-CE 3.19Å
407D67.8Low80.1Confident123 Ų12355 Ų5566%0.65830%0.299SS*.THydrogen-bonded Turntrans-97.9-12.9177.3-59.9-43.3000113.9N405N405-D407 PolarHBondContact O-N 3.12Å
408N75.1Confident79.8Confident35 Ų3558.7 Ų58.719%0.18731%0.313CS..BIsolated β-bridgetrans-11863.4-173.4-172.538.5000111H397 F401 G402 S403 V404 N405H397-N408 PolarHBondContact CE1-OD1 2.9Å; H397-N408 VanDerWaalsContact NE2-CG 3.3Å; H397-N408 PolarHBondContact NE2-ND2 2.94Å; H397-N408 PolarHBondContact NE2-O 3.47Å; H397-N408 PolarHBondContact NE2-OD1 3.18Å; F401-N408 WeakPolarHBondContact CB-OD1 3.17Å; F401-N408 PolarHBondContact O-ND2 3.41Å; G402-N408 PolarHBondContact O-ND2 3.29Å; S403-N408 PolarHBondContact O-ND2 3.5Å; V404-N408 WeakPolarHBondContact CA-O 3.48Å; N405-N408 HydrophobicContact CB-CB 4.46Å; N405-N408 CarbonylContact O-C 3.6Å; N405-N408 PolarHBondContact O-N 3.42Å
409K81.3Confident79.7Confident56 Ų5657 Ų5724%0.24331%0.305CS..  trans-87143.7-178.5-60.2174.2-178.6170.10111.1H397 G406 M413 H414 E417H397-K409 PolarHBondContact CE1-O 3.36Å; G406-K409 WeakPolarHBondContact O-CE 3.19Å; K409-M413 HydrophobicContact CB-CB 4.2Å; K409-H414 PolarHBondContact O-CD2 3.48Å; K409-H414 PolarHBondContact O-NE2 3.08Å; K409-E417 WeakPolarHBondContact CD-OE1 3.32Å; K409-E417 WeakPolarHBondContact CE-OE1 3.3Å; K409-E417 IonicContact NZ-OE1 3.85Å; K409-E417 PolarHBondContact NZ-OE1 3.25Å; K409-E417 IonicContact NZ-OE2 2.62Å
410P82.6Confident79.5Confident0 Ų058.3 Ų58.30%031%0.313CS..  trans-61.6156172.2-19.532.8000111.9T394 H397 V404 W412 M413 H414T394-P410 HydrophobicContact CG2-CG 4Å; H397-P410 HydrophobicContact CB-CB 4.16Å; H397-P410 HydrophobicContact CB-CG 4.49Å; V404-P410 HydrophobicContact CG1-CG 4.38Å; V404-P410 HydrophobicContact CG2-CG 3.82Å; P410-W412 PolarHBondContact O-N 2.92Å; P410-W412 VanDerWaalsContact O-N 3.08Å; P410-M413 HydrophobicContact CG-CE 3.85Å; P410-M413 PolarHBondContact O-N 3.43Å; P410-H414 PolarHBondContact O-N 3.15Å
411I81Confident79.2Confident19 Ų1956 Ų5610%0.09731%0.308CS..Hα-helixtrans-53.2-37.8-174.9-59.7158.8000112.7A415 A440 L452 L471I411-A415 PolarHBondContact O-N 3.37Å; I411-A415 VanDerWaalsContact O-N 3.15Å; I411-A440 HydrophobicContact CG1-CB 4.11Å; I411-L452 HydrophobicContact CD1-CD2 4.5Å; I411-L452 HydrophobicContact CG2-CD2 4.2Å; I411-L471 HydrophobicContact CG2-CD2 3.99Å
412W85.2Confident78.9Confident38 Ų3857.5 Ų57.514%0.14431%0.314CS..Hα-helixtrans-72.9-31.2-178.767.1-93.7000113.4K390 L393 T394 P410 A415 E416 L455K390-W412 HydrophobicContact CB-CD2 4.27Å; K390-W412 HydrophobicContact CB-CZ2 4.33Å; K390-W412 HydrophobicContact CD-CD2 4.05Å; K390-W412 HydrophobicContact CD-CE3 3.77Å; K390-W412 HydrophobicContact CD-CH2 4.14Å; K390-W412 HydrophobicContact CD-CZ2 4.4Å; K390-W412 HydrophobicContact CD-CZ3 3.81Å; K390-W412 VanDerWaalsContact CE-CE3 3.42Å; K390-W412 HydrophobicContact CG-CD2 3.76Å; K390-W412 HydrophobicContact CG-CE3 4Å; K390-W412 HydrophobicContact CG-CG 4.07Å; K390-W412 HydrophobicContact CG-CZ2 4.46Å; K390-W412 HydrophobicContact CG-CZ3 4.44Å; L393-W412 HydrophobicContact CD1-CB 4.18Å; T394-W412 PolarHBondContact OG1-NE1 2.89Å; P410-W412 PolarHBondContact O-N 2.92Å; P410-W412 VanDerWaalsContact O-N 3.08Å; W412-A415 WeakPolarHBondContact O-CB 3.28Å; W412-A415 PolarHBondContact O-N 3.15Å; W412-E416 VanDerWaalsContact CE3-OE2 3.31Å; W412-E416 WeakPolarHBondContact CZ3-OE2 3.48Å; W412-E416 PolarHBondContact O-N 3.33Å; W412-L455 HydrophobicContact CB-CD2 3.87Å
413M86Confident77.7Confident54 Ų5462.9 Ų62.927%0.26633%0.334SS..Hα-helixtrans-68.5-42.9175.8-77.9-155.9-100.300110.7V404 K409 P410 A415 E416 E417V404-M413 HydrophobicContact CG1-CE 3.65Å; K409-M413 HydrophobicContact CB-CB 4.2Å; P410-M413 HydrophobicContact CG-CE 3.85Å; P410-M413 PolarHBondContact O-N 3.43Å; M413-A415 VanDerWaalsContact C-N 3.26Å; M413-A415 PolarHBondContact O-N 2.87Å; M413-E416 PolarHBondContact O-N 3.38Å; M413-E417 WeakPolarHBondContact O-CG 3.37Å; M413-E417 PolarHBondContact O-N 2.95Å
414H82.2Confident76.5Confident46 Ų4667.3 Ų67.321%0.21334%0.343CS..Hα-helixtrans-61.6-34.6173.3-74.3-49.6000112.9K409 P410 E417 R418K409-H414 PolarHBondContact O-CD2 3.48Å; K409-H414 PolarHBondContact O-NE2 3.08Å; P410-H414 PolarHBondContact O-N 3.15Å; H414-E417 IonicContact ND1-OE2 3.26Å; H414-R418 WeakPolarHBondContact O-CB 3.4Å; H414-R418 PolarHBondContact O-N 3Å
415A82.8Confident74.9Confident2 Ų271.1 Ų71.12%0.01735%0.352CS..Hα-helixtrans-66.4-42.4175.300000111.9I411 W412 M413 R418 E419 A467 T470 L471I411-A415 PolarHBondContact O-N 3.37Å; I411-A415 VanDerWaalsContact O-N 3.15Å; W412-A415 WeakPolarHBondContact O-CB 3.28Å; W412-A415 PolarHBondContact O-N 3.15Å; M413-A415 VanDerWaalsContact C-N 3.26Å; M413-A415 PolarHBondContact O-N 2.87Å; A415-R418 PolarHBondContact O-N 3.47Å; A415-E419 PolarHBondContact O-N 3.38Å; A415-A467 HydrophobicContact CB-CB 4.11Å; A415-A467 WeakPolarHBondContact O-CB 3.48Å; A415-T470 VanDerWaalsContact CB-OG1 3.25Å; A415-T470 WeakPolarHBondContact CB-OG1 3.47Å; A415-L471 HydrophobicContact CB-CG 4.22Å
416E85.7Confident73.6Confident32 Ų3277.2 Ų77.215%0.1537%0.368CS..Hα-helixtrans-69.4-44.4177.8-71.1-172.614100112.4K390 W412 M413 R418 E419 E420 Y459 K464K390-E416 IonicContact NZ-OE1 2.91Å; K390-E416 PolarHBondContact NZ-OE1 2.79Å; K390-E416 IonicContact NZ-OE2 3.68Å; K390-E416 PolarHBondContact NZ-OE2 2.89Å; W412-E416 VanDerWaalsContact CE3-OE2 3.31Å; W412-E416 WeakPolarHBondContact CZ3-OE2 3.48Å; W412-E416 PolarHBondContact O-N 3.33Å; M413-E416 PolarHBondContact O-N 3.38Å; E416-R418 PolarHBondContact O-N 3.37Å; E416-E419 WeakPolarHBondContact O-CB 3.46Å; E416-E419 PolarHBondContact O-N 2.94Å; E416-E420 PolarHBondContact O-N 3.46Å; E416-Y459 VanDerWaalsContact CD-OH 3.27Å; E416-Y459 HydrophobicContact CG-CE2 4.21Å; E416-Y459 PolarHBondContact OE1-OH 3.46Å; E416-K464 IonicContact OE1-NZ 3.88Å; E416-K464 PolarHBondContact OE1-NZ 3.3Å; E416-K464 VanDerWaalsContact OE1-NZ 3.1Å
417E84.8Confident72.1Confident68 Ų6881.8 Ų81.832%0.31838%0.378SS..Hα-helixtrans-57.9-33.2174.6-73.1175.317200112.6K409 M413 H414 S421K409-E417 WeakPolarHBondContact CD-OE1 3.32Å; K409-E417 WeakPolarHBondContact CE-OE1 3.3Å; K409-E417 IonicContact NZ-OE1 3.85Å; K409-E417 PolarHBondContact NZ-OE1 3.25Å; K409-E417 IonicContact NZ-OE2 2.62Å; M413-E417 WeakPolarHBondContact O-CG 3.37Å; M413-E417 PolarHBondContact O-N 2.95Å; H414-E417 IonicContact ND1-OE2 3.26Å; E417-S421 VanDerWaalsContact O-CB 3.3Å; E417-S421 WeakPolarHBondContact O-CB 3.41Å; E417-S421 PolarHBondContact O-N 3.44Å; E417-S421 PolarHBondContact O-OG 3.4Å
418R76.2Confident70.6Confident83 Ų8380.4 Ų80.431%0.31338%0.378SS..Hα-helixtrans-72.3-34.8178-166.1-178.7173.7149.6-7.6112.4H414 A415 E416 K422 E466H414-R418 WeakPolarHBondContact O-CB 3.4Å; H414-R418 PolarHBondContact O-N 3Å; A415-R418 PolarHBondContact O-N 3.47Å; E416-R418 PolarHBondContact O-N 3.37Å; R418-K422 PolarHBondContact O-N 3.23Å; R418-E466 HydrophobicContact CG-CG 3.76Å; R418-E466 IonicContact CZ-OE1 3.83Å; R418-E466 VanDerWaalsContact CZ-OE1 3.24Å; R418-E466 IonicContact NE-OE1 3.95Å; R418-E466 PolarHBondContact NE-OE1 3.4Å; R418-E466 IonicContact NH2-OE1 2.99Å; R418-E466 PolarHBondContact NH2-OE1 2.94Å
419E81.8Confident68.8Low34 Ų3482.8 Ų82.816%0.15940%0.402CS..Hα-helixtrans-67-45.2172.6-168.173.4-135.100110.6A415 E416 S421 K422 K464 L465 E466 A467A415-E419 PolarHBondContact O-N 3.38Å; E416-E419 WeakPolarHBondContact O-CB 3.46Å; E416-E419 PolarHBondContact O-N 2.94Å; E419-S421 PolarHBondContact O-N 3.17Å; E419-K422 WeakPolarHBondContact O-CB 3.44Å; E419-K422 PolarHBondContact O-N 3.32Å; E419-K422 VanDerWaalsContact O-N 3.12Å; E419-K422 IonicContact OE1-NZ 3.4Å; E419-K422 PolarHBondContact OE1-NZ 3.34Å; E419-K464 HydrophobicContact CG-CB 4.06Å; E419-K464 HydrophobicContact CG-CG 4.24Å; E419-K464 VanDerWaalsContact OE2-CA 3.32Å; E419-K464 WeakPolarHBondContact OE2-CA 3.47Å; E419-L465 PolarHBondContact OE2-N 2.68Å; E419-L465 VanDerWaalsContact OE2-N 3.11Å; E419-E466 WeakPolarHBondContact OE2-CA 3.31Å; E419-E466 VanDerWaalsContact OE2-CB 3.25Å; E419-E466 WeakPolarHBondContact OE2-CB 3.45Å; E419-E466 PolarHBondContact OE2-N 2.93Å; E419-A467 HydrophobicContact CB-CB 4.29Å; E419-A467 PolarHBondContact OE2-N 2.98Å
420E79.9Confident67Low152 Ų15286.4 Ų86.471%0.7143%0.432SS*.Hα-helixtrans-64.5-30.1178.1-67.1177.6-18000112.7E416 K422E416-E420 PolarHBondContact O-N 3.46Å; E420-K422 VanDerWaalsContact C-N 3.3Å; E420-K422 PolarHBondContact O-N 3.05Å
421S70Confident64.9Low45 Ų4596.2 Ų96.232%0.31547%0.47SS..THydrogen-bonded Turntrans-80.8-6.4177.4-61.20000113.9E417 E419 D423 K424 R425E417-S421 VanDerWaalsContact O-CB 3.3Å; E417-S421 WeakPolarHBondContact O-CB 3.41Å; E417-S421 PolarHBondContact O-N 3.44Å; E417-S421 PolarHBondContact O-OG 3.4Å; E419-S421 PolarHBondContact O-N 3.17Å; S421-D423 VanDerWaalsContact C-N 3.34Å; S421-D423 PolarHBondContact O-N 2.84Å; S421-K424 PolarHBondContact O-N 3.01Å; S421-R425 VanDerWaalsContact O-CG 3.28Å; S421-R425 WeakPolarHBondContact O-CG 3.43Å; S421-R425 PolarHBondContact O-N 2.92Å
422K66.5Low62.8Low92 Ų9297.9 Ų97.940%0.449%0.492SS..THydrogen-bonded Turntrans-63.4-36.5-174.2-175.4178.1172.3-174.60113R418 E419 E420 K424 R425R418-K422 PolarHBondContact O-N 3.23Å; E419-K422 WeakPolarHBondContact O-CB 3.44Å; E419-K422 PolarHBondContact O-N 3.32Å; E419-K422 VanDerWaalsContact O-N 3.12Å; E419-K422 IonicContact OE1-NZ 3.4Å; E419-K422 PolarHBondContact OE1-NZ 3.34Å; E420-K422 VanDerWaalsContact C-N 3.3Å; E420-K422 PolarHBondContact O-N 3.05Å; K422-K424 VanDerWaalsContact C-N 3.35Å; K422-R425 PolarHBondContact O-N 3.36Å
423D55.4Low60.8Low150 Ų150105.5 Ų105.580%0.80253%0.529SS*.G310 helixtrans-74.5-24.6178.5-70.4-33.5000112.9S421 R425S421-D423 VanDerWaalsContact C-N 3.34Å; S421-D423 PolarHBondContact O-N 2.84Å; D423-R425 VanDerWaalsContact C-N 3.34Å
424K56.1Low58.6Low179 Ų179109.1 Ų109.178%0.77854%0.541SS*.G310 helixtrans-81.2-12.3172.7-68.2179.2179.8173.70113.4S421 K422S421-K424 PolarHBondContact O-N 3.01Å; K422-K424 VanDerWaalsContact C-N 3.35Å
425R47Very low56.7Low122 Ų122109.2 Ų109.246%0.4655%0.554SS.*G310 helixtrans-95.61.3-173.1-80.3-179.6-168.1-135.64.7114.9S421 K422 D423 D427S421-R425 VanDerWaalsContact O-CG 3.28Å; S421-R425 WeakPolarHBondContact O-CG 3.43Å; S421-R425 PolarHBondContact O-N 2.92Å; K422-R425 PolarHBondContact O-N 3.36Å; D423-R425 VanDerWaalsContact C-N 3.34Å; R425-D427 PolarHBondContact O-N 3.21Å
426R49.2Very low54.7Low233 Ų233112 Ų11288%0.87957%0.574SS**THydrogen-bonded Turntrans-72.9-19.4177.6-141.4178.2169.5-150.4-5.4113
427D38.4Very low53Low154 Ų154113.3 Ų113.382%0.82458%0.578SS**THydrogen-bonded Turntrans-120.717.7-175.7-73.4-33.1000115.2R425R425-D427 PolarHBondContact O-N 3.21Å
428S35.4Very low51.1Low95 Ų95115.5 Ų115.566%0.66458%0.584SS**SBendtrans-147.3136.4177.4-74.80000114.1
429A37.5Very low49.7Very low84 Ų84118.3 Ų118.369%0.69460%0.598SS**  trans-46.1160.7-178.500000114.6Y431A429-Y431 PolarHBondContact O-N 3.5Å
430P43.5Very low47.9Very low133 Ų133117 Ų11786%0.86459%0.593SS**  trans-66107.8-168.926-29.5000110.3G432P430-G432 PolarHBondContact O-N 2.97Å
431Y39Very low46.4Very low205 Ų205110.7 Ų110.780%0.80457%0.566SS**  trans-60.8134-177.5-149.8-98.9000110.6A429A429-Y431 PolarHBondContact O-N 3.5Å
432G37.1Very low45.6Very low55 Ų55115.2 Ų115.257%0.56758%0.58SS**  trans-53.5155.9-168.700000115.2P430 Y434P430-G432 PolarHBondContact O-N 2.97Å; G432-Y434 PolarHBondContact O-N 3.3Å
433E41.7Very low45.2Very low197 Ų197111.7 Ų111.792%0.92157%0.566SS**  trans-42.295171.3-73.3171.5130.900112.2G435E433-G435 PolarHBondContact O-N 3.47Å
434Y41Very low45.5Very low130 Ų130110.8 Ų110.851%0.5156%0.561SS.*  trans-75.376.5160.3-139.9-99.1000107.4G432 S436G432-Y434 PolarHBondContact O-N 3.3Å; Y434-S436 PolarHBondContact O-N 3.03Å
435G41Very low46.4Very low48 Ų48103.9 Ų103.950%0.49554%0.536SS..THydrogen-bonded Turntrans-64.110.9-17600000115.7E433E433-G435 PolarHBondContact O-N 3.47Å
436S41.6Very low48.1Very low62 Ų62102.7 Ų102.743%0.43454%0.544SS..THydrogen-bonded Turntrans-90.8-37.8-177.6-152.30000113.3Y434 Y438 K439Y434-S436 PolarHBondContact O-N 3.03Å; S436-Y438 VanDerWaalsContact C-N 3.25Å; S436-Y438 PolarHBondContact O-N 3.41Å; S436-K439 PolarHBondContact O-N 3.43Å
437W49.3Very low49.7Very low58 Ų5892.9 Ų92.922%0.2251%0.509CS..Hα-helixtrans-70.2-22.8-179.675.5-94.6000113.1K439 A440 C441 C474W437-K439 PolarHBondContact O-N 3.21Å; W437-A440 WeakPolarHBondContact O-CA 3.38Å; W437-A440 VanDerWaalsContact O-CB 3.26Å; W437-A440 WeakPolarHBondContact O-CB 3.47Å; W437-A440 PolarHBondContact O-N 3.34Å; W437-C441 PolarHBondContact O-N 3.37Å; W437-C474 HydrophobicContact CZ3-CB 4.5Å
438Y45.8Very low52Low115 Ų11586 Ų8645%0.45147%0.473SS..Hα-helixtrans-63.6-28.4175.4-77.5-93.3000112.8S436 A440 R477S436-Y438 VanDerWaalsContact C-N 3.25Å; S436-Y438 PolarHBondContact O-N 3.41Å; Y438-A440 VanDerWaalsContact C-N 3.32Å; Y438-R477 PolarHBondContact OH-NH1 3.09Å
439K47.3Very low54.4Low142 Ų14282.4 Ų82.462%0.61745%0.446SS*.Hα-helixtrans-71.6-30.9171.5-72.4177.1-179.31750110.9F401 S436 W437 C441 K442F401-K439 HydrophobicContact CE1-CB 4.13Å; F401-K439 WeakPolarHBondContact CE1-O 3.49Å; F401-K439 VanDerWaalsContact CZ-C 3.49Å; F401-K439 WeakPolarHBondContact CZ-O 3.46Å; S436-K439 PolarHBondContact O-N 3.43Å; W437-K439 PolarHBondContact O-N 3.21Å; K439-C441 PolarHBondContact O-N 3.36Å; K439-K442 PolarHBondContact O-N 3.27Å
440A43.3Very low56.9Low6 Ų680.8 Ų80.85%0.0543%0.428CS..Hα-helixtrans-67.3-24.7-179.700000115.8F401 I411 W437 Y438 K442F401-A440 HydrophobicContact CD2-CB 4.29Å; F401-A440 HydrophobicContact CE2-CB 3.98Å; F401-A440 HydrophobicContact CZ-CB 4.34Å; I411-A440 HydrophobicContact CG1-CB 4.11Å; W437-A440 WeakPolarHBondContact O-CA 3.38Å; W437-A440 VanDerWaalsContact O-CB 3.26Å; W437-A440 WeakPolarHBondContact O-CB 3.47Å; W437-A440 PolarHBondContact O-N 3.34Å; Y438-A440 VanDerWaalsContact C-N 3.32Å; A440-K442 VanDerWaalsContact C-N 3.28Å; A440-K442 PolarHBondContact O-N 3.49Å
441C48.6Very low59.1Low20 Ų2074.5 Ų74.514%0.13539%0.387CS..THydrogen-bonded Turntrans-82.67.5-179.7-69.40000114.5W437 K439 V443 C474W437-C441 PolarHBondContact O-N 3.37Å; K439-C441 PolarHBondContact O-N 3.36Å; C441-V443 PolarHBondContact O-N 3.37Å; C441-V443 VanDerWaalsContact O-N 3.08Å; C441-C474 WeakPolarHBondContact CB-SG 3.23Å; C441-C474 WeakPolarHBondContact SG-CB 3.42Å; C441-C474 CovalentContact SG-SG 2.07Å; C441-C474 PolarHBondContact SG-SG 2.88Å
442K53.5Low61.5Low140 Ų14065 Ų6561%0.60935%0.35SS*.  trans-71.28.7177.8-78.1-166.8175.3-169.50115.2K439 A440 D444K439-K442 PolarHBondContact O-N 3.27Å; A440-K442 VanDerWaalsContact C-N 3.28Å; A440-K442 PolarHBondContact O-N 3.49Å; K442-D444 PolarHBondContact O-N 3.19Å
443V56.8Low64.1Low18 Ų1868.4 Ų68.411%0.10935%0.346CS..  trans-81.691.8-176.5-163.50000110.6A396 E400 C441 S445 V448 N478A396-V443 HydrophobicContact CB-CG1 4.36Å; E400-V443 HydrophobicContact CG-CG2 4.14Å; C441-V443 PolarHBondContact O-N 3.37Å; C441-V443 VanDerWaalsContact O-N 3.08Å; V443-S445 PolarHBondContact O-N 2.91Å; V443-V448 HydrophobicContact CB-CG1 4.19Å; V443-V448 HydrophobicContact CG1-CB 4.1Å; V443-V448 HydrophobicContact CG1-CG1 4.11Å; V443-V448 HydrophobicContact CG1-CG2 3.86Å; V443-N478 PolarHBondContact O-ND2 3.38Å
444D61.6Low66.5Low130 Ų13060.7 Ų60.770%0.69531%0.314SS*.  trans-73.732.5178.1-68-24.6000114.1K442 N478K442-D444 PolarHBondContact O-N 3.19Å; D444-N478 PolarHBondContact OD1-ND2 3.41Å; D444-N478 PolarHBondContact OD1-OD1 2.92Å
445S75.5Confident68.9Low35 Ų3554.5 Ų54.525%0.24529%0.29CS..  trans-91.1121.7174.1-178.80000110.4V443 T447 V448 N449V443-S445 PolarHBondContact O-N 2.91Å; S445-T447 PolarHBondContact O-N 2.95Å; S445-V448 PolarHBondContact O-N 3.28Å; S445-N449 PolarHBondContact O-N 2.91Å; S445-N449 PolarHBondContact O-ND2 2.93Å
446P83.3Confident71.2Confident97 Ų9752.2 Ų52.263%0.6327%0.266SS*.Hα-helixtrans-60-30175.923.2-32.4000111.7N449 T450P446-N449 PolarHBondContact O-N 3.4Å; P446-T450 PolarHBondContact O-N 3.49Å; P446-T450 PolarHBondContact O-OG1 3.02Å
447T83.6Confident73.6Confident26 Ų2651.2 Ų51.216%0.1626%0.262CS..Hα-helixtrans-68.8-38.2176.1-56.30000111.5A366 K367 N370 S445 T450 T451A366-T447 HydrophobicContact CB-CG2 3.92Å; K367-T447 HydrophobicContact CB-CG2 4.46Å; N370-T447 WeakPolarHBondContact ND2-CG2 3.44Å; N370-T447 PolarHBondContact ND2-O 3.23Å; N370-T447 VanDerWaalsContact ND2-O 3.1Å; S445-T447 PolarHBondContact O-N 2.95Å; T447-T450 WeakPolarHBondContact CA-OG1 3.43Å; T447-T450 PolarHBondContact O-N 3.49Å; T447-T450 PolarHBondContact O-OG1 3.38Å; T447-T451 PolarHBondContact O-N 3.5Å; T447-T451 PolarHBondContact O-OG1 2.78Å
448V85.5Confident75.6Confident9 Ų948.7 Ų48.76%0.05525%0.252CS..Hα-helixtrans-69.6-39.5174.6175.20000110.3L393 A396 V443 S445 T450 T451 L452L393-V448 HydrophobicContact CD2-CG1 3.95Å; A396-V448 HydrophobicContact CB-CG1 4.49Å; A396-V448 HydrophobicContact CB-CG2 3.94Å; V443-V448 HydrophobicContact CB-CG1 4.19Å; V443-V448 HydrophobicContact CG1-CB 4.1Å; V443-V448 HydrophobicContact CG1-CG1 4.11Å; V443-V448 HydrophobicContact CG1-CG2 3.86Å; S445-V448 PolarHBondContact O-N 3.28Å; V448-T450 PolarHBondContact O-N 3.04Å; V448-T451 WeakPolarHBondContact O-CA 3.24Å; V448-T451 VanDerWaalsContact O-CB 3.24Å; V448-T451 WeakPolarHBondContact O-CB 3.24Å; V448-T451 PolarHBondContact O-N 2.95Å; V448-L452 HydrophobicContact CG1-CD1 4.45Å; V448-L452 WeakPolarHBondContact O-CG 3.32Å; V448-L452 PolarHBondContact O-N 3.35Å
449N87.1Confident77.7Confident20 Ų2043.2 Ų43.211%0.10723%0.231CC..Hα-helixtrans-62.3-36.2172.9-89.4-76.9000113.8S445 P446 T451 R453 A475 N478S445-N449 PolarHBondContact O-N 2.91Å; S445-N449 PolarHBondContact O-ND2 2.93Å; P446-N449 PolarHBondContact O-N 3.4Å; N449-T451 VanDerWaalsContact C-N 3.32Å; N449-R453 PolarHBondContact O-N 3.06Å; N449-R453 PolarHBondContact O-NE 2.81Å; N449-R453 VanDerWaalsContact O-NE 3.17Å; N449-A475 PolarHBondContact OD1-O 3.1Å; N449-N478 PolarHBondContact ND2-ND2 3.27Å
450T89.1Confident79.8Confident51 Ų5142.2 Ų42.231%0.31322%0.223SC..Hα-helixtrans-68.2-34.8171.4480000111.9P446 T447 V448 S454P446-T450 PolarHBondContact O-N 3.49Å; P446-T450 PolarHBondContact O-OG1 3.02Å; T447-T450 WeakPolarHBondContact CA-OG1 3.43Å; T447-T450 PolarHBondContact O-N 3.49Å; T447-T450 PolarHBondContact O-OG1 3.38Å; V448-T450 PolarHBondContact O-N 3.04Å; T450-S454 VanDerWaalsContact O-CB 3.32Å; T450-S454 WeakPolarHBondContact O-CB 3.45Å; T450-S454 PolarHBondContact O-N 2.88Å; T450-S454 PolarHBondContact O-OG 2.97Å
451T90.2Very high81.9Confident0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-64.4-50.4176.7-50.50000110.8N370 Y389 I392 L393 T447 V448 N449 R453 S454 L455N370-T451 PolarHBondContact ND2-OG1 3.01Å; N370-T451 PolarHBondContact OD1-OG1 3.38Å; N370-T451 VanDerWaalsContact OD1-OG1 3.13Å; Y389-T451 HydrophobicContact CD1-CG2 3.73Å; Y389-T451 HydrophobicContact CG-CG2 4.07Å; I392-T451 HydrophobicContact CB-CG2 4Å; I392-T451 HydrophobicContact CD1-CG2 4.26Å; I392-T451 HydrophobicContact CG2-CG2 4.02Å; L393-T451 HydrophobicContact CD1-CG2 4.37Å; L393-T451 HydrophobicContact CD2-CG2 3.89Å; L393-T451 HydrophobicContact CG-CG2 3.77Å; T447-T451 PolarHBondContact O-N 3.5Å; T447-T451 PolarHBondContact O-OG1 2.78Å; V448-T451 WeakPolarHBondContact O-CA 3.24Å; V448-T451 VanDerWaalsContact O-CB 3.24Å; V448-T451 WeakPolarHBondContact O-CB 3.24Å; V448-T451 PolarHBondContact O-N 2.95Å; N449-T451 VanDerWaalsContact C-N 3.32Å; T451-R453 VanDerWaalsContact C-N 3.34Å; T451-R453 PolarHBondContact O-N 3.21Å; T451-S454 PolarHBondContact O-N 2.84Å; T451-S454 VanDerWaalsContact O-N 3.14Å; T451-L455 WeakPolarHBondContact O-CB 3.46Å; T451-L455 PolarHBondContact O-N 3.36Å
452L89.8Confident83.8Confident7 Ų752.9 Ų52.94%0.03726%0.263CS..Hα-helixtrans-55.7-47177.8-71.5170.4000111.8L393 I411 V448 G456 L471 C474 A475L393-L452 HydrophobicContact CD1-CD2 3.95Å; L393-L452 HydrophobicContact CD2-CD2 3.6Å; L393-L452 HydrophobicContact CD2-CG 3.86Å; L393-L452 HydrophobicContact CG-CD2 4.45Å; I411-L452 HydrophobicContact CD1-CD2 4.5Å; I411-L452 HydrophobicContact CG2-CD2 4.2Å; V448-L452 HydrophobicContact CG1-CD1 4.45Å; V448-L452 WeakPolarHBondContact O-CG 3.32Å; V448-L452 PolarHBondContact O-N 3.35Å; L452-G456 PolarHBondContact O-N 3.11Å; L452-L471 HydrophobicContact CD2-CD2 3.57Å; L452-C474 HydrophobicContact CD1-CB 4.5Å; L452-A475 HydrophobicContact CB-CB 3.99Å; L452-A475 HydrophobicContact CD1-CB 4.37Å
453R90.4Very high85.4Confident125 Ų12548.5 Ų48.547%0.47226%0.257SS..Hα-helixtrans-65.3-39.8177.1-75.3-178.8-77.5134.1-8112.8N449 T451 A457 A475N449-R453 PolarHBondContact O-N 3.06Å; N449-R453 PolarHBondContact O-NE 2.81Å; N449-R453 VanDerWaalsContact O-NE 3.17Å; T451-R453 VanDerWaalsContact C-N 3.34Å; T451-R453 PolarHBondContact O-N 3.21Å; R453-A457 WeakPolarHBondContact O-CB 3.38Å; R453-A457 PolarHBondContact O-N 3.47Å; R453-A475 HydrophobicContact CG-CB 3.86Å
454S91.7Very high86.9Confident36 Ų3650.5 Ų50.525%0.25227%0.265SS..Hα-helixtrans-71.7-38.7-178.6-54.80000111.6Y389 T450 T451 A457 L458Y389-S454 WeakPolarHBondContact OH-CB 3.37Å; T450-S454 VanDerWaalsContact O-CB 3.32Å; T450-S454 WeakPolarHBondContact O-CB 3.45Å; T450-S454 PolarHBondContact O-N 2.88Å; T450-S454 PolarHBondContact O-OG 2.97Å; T451-S454 PolarHBondContact O-N 2.84Å; T451-S454 VanDerWaalsContact O-N 3.14Å; S454-A457 PolarHBondContact O-N 3.22Å; S454-L458 PolarHBondContact O-N 2.86Å
455L91.8Very high88.1Confident0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-69.3-41.8173.8-174.262.3000111.8E386 Y389 L393 W412 T451 A457 L458 Y459 L471E386-L455 HydrophobicContact CG-CD1 3.82Å; Y389-L455 HydrophobicContact CD2-CB 4.36Å; L393-L455 HydrophobicContact CD1-CD2 3.52Å; W412-L455 HydrophobicContact CB-CD2 3.87Å; T451-L455 WeakPolarHBondContact O-CB 3.46Å; T451-L455 PolarHBondContact O-N 3.36Å; L455-A457 VanDerWaalsContact C-N 3.29Å; L455-A457 PolarHBondContact O-N 2.84Å; L455-L458 HydrophobicContact CD1-CD1 4.48Å; L455-L458 WeakPolarHBondContact O-CB 3.45Å; L455-L458 PolarHBondContact O-N 2.99Å; L455-L458 VanDerWaalsContact O-N 3.08Å; L455-Y459 HydrophobicContact CD1-CD1 4.48Å; L455-Y459 HydrophobicContact CD1-CE1 4.02Å; L455-Y459 HydrophobicContact CD1-CE2 4.45Å; L455-Y459 HydrophobicContact CD2-CE2 4.31Å; L455-Y459 HydrophobicContact CG-CD2 4.46Å; L455-Y459 HydrophobicContact CG-CE2 4.11Å; L455-Y459 PolarHBondContact O-N 3.25Å; L455-L471 HydrophobicContact CB-CD1 4.19Å; L455-L471 HydrophobicContact CD2-CD1 3.88Å; L455-L471 HydrophobicContact CD2-CD2 4.34Å; L455-L471 HydrophobicContact CG-CD1 3.77Å
456G89.9Confident88.5Confident0 Ų049.9 Ų49.90%026%0.256CS..Hα-helixtrans-59.4-40.7173.300000112.2L452 L458 Y459 R460 A468L452-G456 PolarHBondContact O-N 3.11Å; G456-L458 PolarHBondContact O-N 3.23Å; G456-Y459 PolarHBondContact O-N 3.4Å; G456-R460 PolarHBondContact O-N 2.97Å; G456-A468 VanDerWaalsContact O-CB 3.31Å; G456-A468 WeakPolarHBondContact O-CB 3.33Å
457A90.9Very high88.5Confident41 Ų4145.2 Ų45.234%0.33923%0.226SC..Hα-helixtrans-64.2-36.9173.200000112.9R453 S454 L455 R461R453-A457 WeakPolarHBondContact O-CB 3.38Å; R453-A457 PolarHBondContact O-N 3.47Å; S454-A457 PolarHBondContact O-N 3.22Å; L455-A457 VanDerWaalsContact C-N 3.29Å; L455-A457 PolarHBondContact O-N 2.84Å; A457-R461 WeakPolarHBondContact O-CG 3.48Å; A457-R461 PolarHBondContact O-N 3.4Å
458L91.4Very high88.8Confident4 Ų444 Ų442%0.02122%0.219CC..Hα-helixtrans-64.6-47.3173.2-84.4175000112L377 Y382 A385 E386 Y389 S454 L455 G456 R460 R461 Q462L377-L458 HydrophobicContact CD2-CD1 4.06Å; L377-L458 HydrophobicContact CD2-CD2 3.44Å; L377-L458 VanDerWaalsContact CD2-CD2 3.44Å; L377-L458 HydrophobicContact CD2-CG 3.92Å; Y382-L458 HydrophobicContact CD1-CD2 3.72Å; Y382-L458 HydrophobicContact CG-CD2 4.3Å; A385-L458 HydrophobicContact CB-CD1 4.27Å; E386-L458 HydrophobicContact CB-CD1 4.19Å; Y389-L458 HydrophobicContact CD2-CD1 3.66Å; Y389-L458 HydrophobicContact CE2-CD1 3.72Å; S454-L458 PolarHBondContact O-N 2.86Å; L455-L458 HydrophobicContact CD1-CD1 4.48Å; L455-L458 WeakPolarHBondContact O-CB 3.45Å; L455-L458 PolarHBondContact O-N 2.99Å; L455-L458 VanDerWaalsContact O-N 3.08Å; G456-L458 PolarHBondContact O-N 3.23Å; L458-R460 VanDerWaalsContact C-N 3.32Å; L458-R460 PolarHBondContact O-N 2.97Å; L458-R461 WeakPolarHBondContact O-CA 3.47Å; L458-R461 WeakPolarHBondContact O-CB 3.32Å; L458-R461 PolarHBondContact O-N 3.4Å; L458-Q462 WeakPolarHBondContact O-CG 3.39Å; L458-Q462 PolarHBondContact O-N 2.88Å
459Y91Very high88.8Confident0 Ų048.1 Ų48.10%024%0.237CC..Hα-helixtrans-63-37.1177.6-74.7-14.9000112.8E386 K390 E416 L455 G456 R461 Q462 G463 K464 A467 L471E386-Y459 HydrophobicContact CG-CE1 4.34Å; K390-Y459 WeakPolarHBondContact CE-OH 3.49Å; K390-Y459 PolarHBondContact NZ-OH 2.89Å; E416-Y459 VanDerWaalsContact CD-OH 3.27Å; E416-Y459 HydrophobicContact CG-CE2 4.21Å; E416-Y459 PolarHBondContact OE1-OH 3.46Å; L455-Y459 HydrophobicContact CD1-CD1 4.48Å; L455-Y459 HydrophobicContact CD1-CE1 4.02Å; L455-Y459 HydrophobicContact CD1-CE2 4.45Å; L455-Y459 HydrophobicContact CD2-CE2 4.31Å; L455-Y459 HydrophobicContact CG-CD2 4.46Å; L455-Y459 HydrophobicContact CG-CE2 4.11Å; L455-Y459 PolarHBondContact O-N 3.25Å; G456-Y459 PolarHBondContact O-N 3.4Å; Y459-R461 VanDerWaalsContact C-N 3.28Å; Y459-R461 PolarHBondContact O-N 3.15Å; Y459-Q462 CarbonylContact O-C 3.45Å; Y459-Q462 PolarHBondContact O-N 3.19Å; Y459-Q462 VanDerWaalsContact O-N 3.13Å; Y459-G463 PolarHBondContact O-N 3.49Å; Y459-G463 VanDerWaalsContact O-N 3.12Å; Y459-K464 HydrophobicContact CD1-CD 4.06Å; Y459-K464 HydrophobicContact CE1-CD 4.41Å; Y459-K464 HydrophobicContact CG-CD 4.42Å; Y459-K464 PolarHBondContact O-N 3.27Å; Y459-A467 HydrophobicContact CD2-CB 3.6Å; Y459-A467 HydrophobicContact CE2-CB 4.08Å; Y459-A467 HydrophobicContact CG-CB 4.27Å; Y459-L471 HydrophobicContact CD2-CD1 3.42Å; Y459-L471 VanDerWaalsContact CD2-CD1 3.42Å; Y459-L471 HydrophobicContact CE2-CD1 3.5Å; Y459-L471 VanDerWaalsContact CE2-CD1 3.5Å
460R90.2Very high88.6Confident121 Ų12148.3 Ų48.346%0.45724%0.239SC..Hα-helixtrans-58.8-41.1170.9-177.1-179.1-71.2118-1.5111.7G456 L458 Q462 G463 L465 A468 E472G456-R460 PolarHBondContact O-N 2.97Å; L458-R460 VanDerWaalsContact C-N 3.32Å; L458-R460 PolarHBondContact O-N 2.97Å; R460-Q462 VanDerWaalsContact C-N 3.31Å; R460-Q462 PolarHBondContact O-N 2.96Å; R460-G463 PolarHBondContact O-N 3.48Å; R460-L465 HydrophobicContact CG-CD2 4.2Å; R460-A468 HydrophobicContact CB-CB 4.11Å; R460-E472 IonicContact CZ-OE1 3.65Å; R460-E472 IonicContact CZ-OE2 2.68Å; R460-E472 IonicContact NH1-OE1 3.11Å; R460-E472 PolarHBondContact NH1-OE1 3.17Å; R460-E472 IonicContact NH1-OE2 3.75Å; R460-E472 IonicContact NH2-OE1 2.84Å; R460-E472 PolarHBondContact NH2-OE1 3.44Å; R460-E472 IonicContact NH2-OE2 2.71Å; R460-E472 PolarHBondContact NH2-OE2 2.93Å
461R87.8Confident88.4Confident170 Ų17045.9 Ų45.964%0.64222%0.224SC*.Hα-helixtrans-68.9-28.6177.2-69.2175.566.1129.17.4113Y382 A457 L458 Y459 G463Y382-R461 VanDerWaalsContact CZ-NH2 3.27Å; Y382-R461 PolarHBondContact OH-NH2 3.49Å; A457-R461 WeakPolarHBondContact O-CG 3.48Å; A457-R461 PolarHBondContact O-N 3.4Å; L458-R461 WeakPolarHBondContact O-CA 3.47Å; L458-R461 WeakPolarHBondContact O-CB 3.32Å; L458-R461 PolarHBondContact O-N 3.4Å; Y459-R461 VanDerWaalsContact C-N 3.28Å; Y459-R461 PolarHBondContact O-N 3.15Å; R461-G463 VanDerWaalsContact C-N 3.31Å
462Q88.6Confident88.1Confident80 Ų8048.4 Ų48.437%0.37424%0.236SC..Hα-helixtrans-81.4-7.6175.3-67.4176.64.700113.4E386 L458 Y459 R460E386-Q462 PolarHBondContact OE2-NE2 3.36Å; L458-Q462 WeakPolarHBondContact O-CG 3.39Å; L458-Q462 PolarHBondContact O-N 2.88Å; Y459-Q462 CarbonylContact O-C 3.45Å; Y459-Q462 PolarHBondContact O-N 3.19Å; Y459-Q462 VanDerWaalsContact O-N 3.13Å; R460-Q462 VanDerWaalsContact C-N 3.31Å; R460-Q462 PolarHBondContact O-N 2.96Å
463G86.4Confident87.8Confident48 Ų4850.5 Ų50.550%0.49525%0.247SC..THydrogen-bonded Turntrans87.70.4-176.400000115.1Y459 R460 R461 L465Y459-G463 PolarHBondContact O-N 3.49Å; Y459-G463 VanDerWaalsContact O-N 3.12Å; R460-G463 PolarHBondContact O-N 3.48Å; R461-G463 VanDerWaalsContact C-N 3.31Å; G463-L465 VanDerWaalsContact C-N 3.35Å; G463-L465 PolarHBondContact O-N 3.31Å
464K89.9Confident87.2Confident61 Ų6144.8 Ų44.827%0.26523%0.226SC..  trans-81.175.4176.1-59.4177.4179170.30110.6E416 E419 Y459 A467 A468E416-K464 IonicContact OE1-NZ 3.88Å; E416-K464 PolarHBondContact OE1-NZ 3.3Å; E416-K464 VanDerWaalsContact OE1-NZ 3.1Å; E419-K464 HydrophobicContact CG-CB 4.06Å; E419-K464 HydrophobicContact CG-CG 4.24Å; E419-K464 VanDerWaalsContact OE2-CA 3.32Å; E419-K464 WeakPolarHBondContact OE2-CA 3.47Å; Y459-K464 HydrophobicContact CD1-CD 4.06Å; Y459-K464 HydrophobicContact CE1-CD 4.41Å; Y459-K464 HydrophobicContact CG-CD 4.42Å; Y459-K464 PolarHBondContact O-N 3.27Å; K464-A467 HydrophobicContact CB-CB 3.99Å; K464-A468 WeakPolarHBondContact O-CB 3.47Å; K464-A468 PolarHBondContact O-N 3.1Å
465L86.4Confident86.6Confident97 Ų9743.5 Ų43.551%0.50822%0.218SC..Hα-helixtrans-71.2-35.4-170.8-65.1175.2000114E419 R460 G463 A468 H469E419-L465 PolarHBondContact OE2-N 2.68Å; E419-L465 VanDerWaalsContact OE2-N 3.11Å; R460-L465 HydrophobicContact CG-CD2 4.2Å; G463-L465 VanDerWaalsContact C-N 3.35Å; G463-L465 PolarHBondContact O-N 3.31Å; L465-A468 PolarHBondContact O-N 3.49Å; L465-H469 WeakPolarHBondContact O-CB 3.27Å; L465-H469 PolarHBondContact O-N 3.32Å
466E82.7Confident85.7Confident54 Ų5446.5 Ų46.525%0.25224%0.239SC..Hα-helixtrans-73.7-38.6179.1-167.667.9-167.500110.5R418 E419 A468 H469 T470R418-E466 HydrophobicContact CG-CG 3.76Å; R418-E466 IonicContact CZ-OE1 3.83Å; R418-E466 VanDerWaalsContact CZ-OE1 3.24Å; R418-E466 IonicContact NE-OE1 3.95Å; R418-E466 PolarHBondContact NE-OE1 3.4Å; R418-E466 IonicContact NH2-OE1 2.99Å; R418-E466 PolarHBondContact NH2-OE1 2.94Å; E419-E466 WeakPolarHBondContact OE2-CA 3.31Å; E419-E466 VanDerWaalsContact OE2-CB 3.25Å; E419-E466 WeakPolarHBondContact OE2-CB 3.45Å; E419-E466 PolarHBondContact OE2-N 2.93Å; E466-A468 VanDerWaalsContact C-N 3.34Å; E466-H469 PolarHBondContact O-N 2.89Å; E466-T470 WeakPolarHBondContact O-CG2 3.26Å; E466-T470 PolarHBondContact O-N 3.43Å; E466-T470 PolarHBondContact O-OG1 2.94Å
467A85.1Confident84.5Confident0 Ų050.6 Ų50.60%025%0.254CS..Hα-helixtrans-64-39.1171.300000111.9A415 E419 Y459 K464 T470 L471A415-A467 HydrophobicContact CB-CB 4.11Å; A415-A467 WeakPolarHBondContact O-CB 3.48Å; E419-A467 HydrophobicContact CB-CB 4.29Å; E419-A467 PolarHBondContact OE2-N 2.98Å; Y459-A467 HydrophobicContact CD2-CB 3.6Å; Y459-A467 HydrophobicContact CE2-CB 4.08Å; Y459-A467 HydrophobicContact CG-CB 4.27Å; K464-A467 HydrophobicContact CB-CB 3.99Å; A467-T470 WeakPolarHBondContact CA-OG1 3.35Å; A467-T470 PolarHBondContact O-OG1 3.49Å; A467-L471 PolarHBondContact O-N 3.3Å
468A88.1Confident82.8Confident1 Ų150.6 Ų50.61%0.00825%0.248CC..Hα-helixtrans-65.5-44.8175.200000112.1G456 R460 K464 L465 E466 T470 L471 E472G456-A468 VanDerWaalsContact O-CB 3.31Å; G456-A468 WeakPolarHBondContact O-CB 3.33Å; R460-A468 HydrophobicContact CB-CB 4.11Å; K464-A468 WeakPolarHBondContact O-CB 3.47Å; K464-A468 PolarHBondContact O-N 3.1Å; L465-A468 PolarHBondContact O-N 3.49Å; E466-A468 VanDerWaalsContact C-N 3.34Å; A468-T470 PolarHBondContact O-N 3.23Å; A468-L471 PolarHBondContact O-N 2.92Å; A468-E472 WeakPolarHBondContact O-CB 3.4Å; A468-E472 WeakPolarHBondContact O-CG 3.49Å; A468-E472 PolarHBondContact O-N 3.02Å
469H85.7Confident80.5Confident94 Ų9460.6 Ų60.644%0.43529%0.286SS..Hα-helixtrans-62-44-180-174.2-88000112L465 E466 L471 E472 D473L465-H469 WeakPolarHBondContact O-CB 3.27Å; L465-H469 PolarHBondContact O-N 3.32Å; E466-H469 PolarHBondContact O-N 2.89Å; H469-L471 PolarHBondContact O-N 2.84Å; H469-E472 PolarHBondContact O-N 3.5Å; H469-D473 IonicContact CE1-OD1 3.13Å; H469-D473 IonicContact CE1-OD2 2.77Å; H469-D473 PolarHBondContact CE1-OD2 3.14Å; H469-D473 IonicContact ND1-OD2 3.64Å; H469-D473 PolarHBondContact ND1-OD2 3.47Å; H469-D473 IonicContact NE2-OD2 2.91Å; H469-D473 WeakPolarHBondContact O-CB 3.28Å; H469-D473 PolarHBondContact O-N 3.07Å
470T84.3Confident78Confident24 Ų2468.3 Ų68.315%0.14732%0.319CS..Hα-helixtrans-62.4-41.6178.345.20000113.7A415 E466 A467 A468 C474A415-T470 VanDerWaalsContact CB-OG1 3.25Å; A415-T470 WeakPolarHBondContact CB-OG1 3.47Å; E466-T470 WeakPolarHBondContact O-CG2 3.26Å; E466-T470 PolarHBondContact O-N 3.43Å; E466-T470 PolarHBondContact O-OG1 2.94Å; A467-T470 WeakPolarHBondContact CA-OG1 3.35Å; A467-T470 PolarHBondContact O-OG1 3.49Å; A468-T470 PolarHBondContact O-N 3.23Å; T470-C474 PolarHBondContact O-N 2.86Å; T470-C474 VanDerWaalsContact O-N 3.14Å
471L84.6Confident75.7Confident0 Ų068.9 Ų68.90%033%0.327CS..Hα-helixtrans-66.6-40.7175.9-75.4166.2000112.4L393 I411 A415 L452 L455 Y459 A467 A468 H469 C474 A475L393-L471 HydrophobicContact CD1-CD2 4.24Å; I411-L471 HydrophobicContact CG2-CD2 3.99Å; A415-L471 HydrophobicContact CB-CG 4.22Å; L452-L471 HydrophobicContact CD2-CD2 3.57Å; L455-L471 HydrophobicContact CB-CD1 4.19Å; L455-L471 HydrophobicContact CD2-CD1 3.88Å; L455-L471 HydrophobicContact CD2-CD2 4.34Å; L455-L471 HydrophobicContact CG-CD1 3.77Å; Y459-L471 HydrophobicContact CD2-CD1 3.42Å; Y459-L471 VanDerWaalsContact CD2-CD1 3.42Å; Y459-L471 HydrophobicContact CE2-CD1 3.5Å; Y459-L471 VanDerWaalsContact CE2-CD1 3.5Å; A467-L471 PolarHBondContact O-N 3.3Å; A468-L471 PolarHBondContact O-N 2.92Å; H469-L471 PolarHBondContact O-N 2.84Å; L471-C474 PolarHBondContact O-N 3.36Å; L471-A475 PolarHBondContact O-N 3.27Å
472E84.3Confident73Confident53 Ų5364.3 Ų64.325%0.24833%0.333CS..Hα-helixtrans-70.7-34.6178.7-72.7-179.4176.300112.9R460 A468 H469 A475 S476R460-E472 IonicContact CZ-OE1 3.65Å; R460-E472 IonicContact CZ-OE2 2.68Å; R460-E472 IonicContact NH1-OE1 3.11Å; R460-E472 PolarHBondContact NH1-OE1 3.17Å; R460-E472 IonicContact NH1-OE2 3.75Å; R460-E472 IonicContact NH2-OE1 2.84Å; R460-E472 PolarHBondContact NH2-OE1 3.44Å; R460-E472 IonicContact NH2-OE2 2.71Å; R460-E472 PolarHBondContact NH2-OE2 2.93Å; A468-E472 WeakPolarHBondContact O-CB 3.4Å; A468-E472 WeakPolarHBondContact O-CG 3.49Å; A468-E472 PolarHBondContact O-N 3.02Å; H469-E472 PolarHBondContact O-N 3.5Å; E472-A475 PolarHBondContact O-N 3.14Å; E472-S476 WeakPolarHBondContact O-CB 3.48Å; E472-S476 PolarHBondContact O-N 3.2Å; E472-S476 PolarHBondContact O-OG 2.85Å
473D83Confident70.5Confident52 Ų5267.4 Ų67.428%0.27835%0.352SS..Hα-helixtrans-63.5-45.1172-91.7-8000111.6H469 A475 S476 R477H469-D473 IonicContact CE1-OD1 3.13Å; H469-D473 IonicContact CE1-OD2 2.77Å; H469-D473 PolarHBondContact CE1-OD2 3.14Å; H469-D473 IonicContact ND1-OD2 3.64Å; H469-D473 PolarHBondContact ND1-OD2 3.47Å; H469-D473 IonicContact NE2-OD2 2.91Å; H469-D473 WeakPolarHBondContact O-CB 3.28Å; H469-D473 PolarHBondContact O-N 3.07Å; D473-A475 VanDerWaalsContact C-N 3.32Å; D473-A475 PolarHBondContact O-N 3.27Å; D473-S476 PolarHBondContact O-N 2.98Å; D473-S476 VanDerWaalsContact O-N 3.16Å; D473-R477 WeakPolarHBondContact O-CB 3.33Å; D473-R477 VanDerWaalsContact O-CG 3.3Å; D473-R477 WeakPolarHBondContact O-CG 3.49Å; D473-R477 PolarHBondContact O-N 2.82Å
474C77.6Confident67.7Low4 Ų470.3 Ų70.33%0.02736%0.356CS..Hα-helixtrans-62-41.2175.2-176.70000110.9W437 C441 L452 T470 L471 S476W437-C474 HydrophobicContact CZ3-CB 4.5Å; C441-C474 WeakPolarHBondContact CB-SG 3.23Å; C441-C474 WeakPolarHBondContact SG-CB 3.42Å; C441-C474 CovalentContact SG-SG 2.07Å; C441-C474 PolarHBondContact SG-SG 2.88Å; L452-C474 HydrophobicContact CD1-CB 4.5Å; T470-C474 PolarHBondContact O-N 2.86Å; T470-C474 VanDerWaalsContact O-N 3.14Å; L471-C474 PolarHBondContact O-N 3.36Å; C474-S476 VanDerWaalsContact C-N 3.29Å; C474-S476 PolarHBondContact O-N 3.03Å
475A78.4Confident65.2Low9 Ų971.6 Ų71.67%0.07437%0.37CS..Hα-helixtrans-65.3-29175.200000113.6N449 L452 R453 L471 E472 D473N449-A475 PolarHBondContact OD1-O 3.1Å; L452-A475 HydrophobicContact CB-CB 3.99Å; L452-A475 HydrophobicContact CD1-CB 4.37Å; R453-A475 HydrophobicContact CG-CB 3.86Å; L471-A475 PolarHBondContact O-N 3.27Å; E472-A475 PolarHBondContact O-N 3.14Å; D473-A475 VanDerWaalsContact C-N 3.32Å; D473-A475 PolarHBondContact O-N 3.27Å
476S73.1Confident62.8Low64 Ų6469.6 Ų69.645%0.44837%0.368SS..Hα-helixtrans-86-32.3-178.3-60.90000113.1E472 D473 C474 R479E472-S476 WeakPolarHBondContact O-CB 3.48Å; E472-S476 PolarHBondContact O-N 3.2Å; E472-S476 PolarHBondContact O-OG 2.85Å; D473-S476 PolarHBondContact O-N 2.98Å; D473-S476 VanDerWaalsContact O-N 3.16Å; C474-S476 VanDerWaalsContact C-N 3.29Å; C474-S476 PolarHBondContact O-N 3.03Å; S476-R479 WeakPolarHBondContact O-CB 3.38Å; S476-R479 PolarHBondContact O-N 3.3Å
477R65.4Low60.7Low86 Ų8670.7 Ų70.733%0.32538%0.381SS..Hα-helixtrans-69.6-31.3179.4-74.4174.1-172.2-165.4-2.4113.1Y438 D473 R479 K480 Q481Y438-R477 PolarHBondContact OH-NH1 3.09Å; D473-R477 WeakPolarHBondContact O-CB 3.33Å; D473-R477 VanDerWaalsContact O-CG 3.3Å; D473-R477 WeakPolarHBondContact O-CG 3.49Å; D473-R477 PolarHBondContact O-N 2.82Å; R477-R479 PolarHBondContact O-N 3.03Å; R477-K480 PolarHBondContact O-N 3.41Å; R477-Q481 PolarHBondContact O-N 2.88Å; R477-Q481 VanDerWaalsContact O-N 3.17Å
478N54.6Low58.4Low40 Ų4077.9 Ų77.921%0.21442%0.415CS..THydrogen-bonded Turntrans-57.1-31.2172.3-166.3-46.2000111.3V443 D444 N449V443-N478 PolarHBondContact O-ND2 3.38Å; D444-N478 PolarHBondContact OD1-ND2 3.41Å; D444-N478 PolarHBondContact OD1-OD1 2.92Å; N449-N478 PolarHBondContact ND2-ND2 3.27Å
479R42.9Very low56Low215 Ų21582.3 Ų82.381%0.81144%0.442SS*.THydrogen-bonded Turntrans-77.5-21.8174.3-155.5-178.3-70.6-168.1-1.3114.4S476 R477S476-R479 WeakPolarHBondContact O-CB 3.38Å; S476-R479 PolarHBondContact O-N 3.3Å; R477-R479 PolarHBondContact O-N 3.03Å
480K39.2Very low53.7Low161 Ų16185 Ų8570%0.745%0.452SS*.THydrogen-bonded Turntrans-92.2-23.4-176.5-73.9-175.4177.6179.50113.7R477 G482 L483R477-K480 PolarHBondContact O-N 3.41Å; K480-G482 PolarHBondContact O-N 3.49Å; K480-L483 PolarHBondContact O-N 2.99Å
481Q40.8Very low51.4Low134 Ų13488.1 Ų88.163%0.62647%0.471SS*.THydrogen-bonded Turntrans-76.5-3.3177.4-86.6177.90.600114.9R477 L483R477-Q481 PolarHBondContact O-N 2.88Å; R477-Q481 VanDerWaalsContact O-N 3.17Å; Q481-L483 PolarHBondContact O-N 3.28Å
482G32.2Very low49.1Very low74 Ų7493.1 Ų93.176%0.76350%0.502SS*.THydrogen-bonded Turntrans-70-2.6162.100000113.9K480K480-G482 PolarHBondContact O-N 3.49Å
483L35.7Very low46.8Very low145 Ų14597 Ų9776%0.75952%0.52SS*.SBendtrans-119.3118.5170.7-67.5166.1000108.1K480 Q481K480-L483 PolarHBondContact O-N 2.99Å; Q481-L483 PolarHBondContact O-N 3.28Å
484D27.9Very low44.6Very low109 Ų109101.5 Ų101.558%0.58354%0.543SS*.  trans-43125-168.6-166-0.7000116.1A486 S487D484-A486 PolarHBondContact O-N 3.46Å; D484-A486 WeakPolarHBondContact OD1-CB 3.3Å; D484-A486 PolarHBondContact OD1-N 3.3Å; D484-A486 VanDerWaalsContact OD1-N 3.1Å; D484-S487 PolarHBondContact O-N 2.97Å; D484-S487 PolarHBondContact O-OG 3.01Å
485P37.7Very low42.7Very low88 Ų88108.2 Ų108.257%0.57158%0.578SS**THydrogen-bonded Turntrans-68.1-8.7173.328.7-35000114S487 Q488P485-S487 PolarHBondContact O-N 3.02Å; P485-Q488 PolarHBondContact O-N 3.41Å
486A36Very low40.7Very low55 Ų55116 Ų11646%0.45561%0.61SS.*Hα-helixtrans-66.4-16.2174.500000114D484D484-A486 PolarHBondContact O-N 3.46Å; D484-A486 WeakPolarHBondContact OD1-CB 3.3Å; D484-A486 PolarHBondContact OD1-N 3.3Å; D484-A486 VanDerWaalsContact OD1-N 3.1Å
487S37.9Very low38.7Very low77 Ų77120.3 Ų120.354%0.53863%0.628SS.*Hα-helixtrans-79.6-25.3-179.961.20000113.9D484 P485D484-S487 PolarHBondContact O-N 2.97Å; D484-S487 PolarHBondContact O-OG 3.01Å; P485-S487 PolarHBondContact O-N 3.02Å
488Q37.2Very low37.2Very low150 Ų150119.9 Ų119.970%0.70165%0.65SS**Hα-helixtrans-84.9-30.4-177-76.3-170.8-23.100113.3P485 K490 V491 V492P485-Q488 PolarHBondContact O-N 3.41Å; Q488-K490 VanDerWaalsContact C-N 3.33Å; Q488-K490 PolarHBondContact O-N 3.46Å; Q488-V491 PolarHBondContact O-N 3.03Å; Q488-V492 PolarHBondContact O-N 3.32Å
489T37.2Very low36.1Very low94 Ų94123.3 Ų123.358%0.57768%0.678SS**Hα-helixtrans-67.2-34.2179.4-34.30000112.1V491 V492 E493T489-V491 PolarHBondContact O-N 2.85Å; T489-V492 PolarHBondContact O-N 2.92Å; T489-E493 PolarHBondContact O-N 3.15Å
490K37.8Very low35.4Very low150 Ų150117 Ų11765%0.65268%0.68SS**Hα-helixtrans-69.8-27.3176.4-86.2179.6175176.80114.2Q488 L494Q488-K490 VanDerWaalsContact C-N 3.33Å; Q488-K490 PolarHBondContact O-N 3.46Å; K490-L494 WeakPolarHBondContact O-CD1 3.41Å; K490-L494 WeakPolarHBondContact O-CG 3.5Å; K490-L494 PolarHBondContact O-N 3.24Å
491V35.5Very low34.8Very low90 Ų90112.9 Ų112.955%0.54568%0.683SS.*Hα-helixtrans-78-28.6179.1178.50000111.2Q488 T489Q488-V491 PolarHBondContact O-N 3.03Å; T489-V491 PolarHBondContact O-N 2.85Å
492V37.1Very low34.1Very low106 Ų106118.8 Ų118.864%0.64270%0.7SS**Hα-helixtrans-81.2-31.2178178.30000112.1Q488 T489Q488-V492 PolarHBondContact O-N 3.32Å; T489-V492 PolarHBondContact O-N 2.92Å
493E34.9Very low33.9Very low134 Ų134118.8 Ų118.863%0.62670%0.699SS**Hα-helixtrans-72-38.1173.2-94.3178.2153.500113T489 L495 K496T489-E493 PolarHBondContact O-N 3.15Å; E493-L495 PolarHBondContact O-N 2.91Å; E493-K496 PolarHBondContact O-N 3.3Å
494L37.2Very low33.5Very low147 Ų147119.2 Ų119.277%0.7770%0.702SS**THydrogen-bonded Turntrans-70.3-16.6-179.9-76.9166.5000114.4K490K490-L494 WeakPolarHBondContact O-CD1 3.41Å; K490-L494 WeakPolarHBondContact O-CG 3.5Å; K490-L494 PolarHBondContact O-N 3.24Å
495L37.5Very low33.4Very low145 Ų145123.9 Ų123.976%0.75971%0.712SS**THydrogen-bonded Turntrans-91.6-7.3175.8-81.4162.3000113.4E493E493-L495 PolarHBondContact O-N 2.91Å
496K36.2Very low32.8Very low171 Ų171130.8 Ų130.874%0.74373%0.726SS**THydrogen-bonded Turntrans-99.3-15.9-176.5-152176.6179.2-173.90114.1E493E493-K496 PolarHBondContact O-N 3.3Å
497D32.3Very low32.3Very low155 Ų155132 Ų13283%0.82975%0.745SS**THydrogen-bonded Turntrans-95.111.7-176.5-77.5-13.2000115.2
498G32.5Very low31.7Very low77 Ų77133.8 Ų133.879%0.79476%0.757SS**THydrogen-bonded Turntrans-98.9-7-17700000117.1
499S33.2Very low31.3Very low113 Ų113136.8 Ų136.879%0.7976%0.761SS**  trans-123.894.3-171.662.60000112.7
500G27.2Very low30.8Very low83 Ų83138 Ų13886%0.85676%0.764SS**  trans-171.670.6177.600000116.2
501G26.6Very low30.3Very low74 Ų74137.2 Ų137.276%0.76377%0.772SS**  trans110.4133.9134.200000120.5
502R26.4Very low29.9Very low258 Ų258137.6 Ų137.697%0.97479%0.785SS**  trans84.3123.8163.7-62.4180161.9-158.4-4.7115.9
503G26.9Very low29.4Very low73 Ų73136.5 Ų136.575%0.75379%0.794SS**  cis145.3127.78.500000109
504D27.2Very low28.9Very low154 Ų154133.7 Ų133.782%0.82480%0.802SS**  trans72107.2151.8-96.4-8.8000121.3
505R26.7Very low28.3Very low208 Ų208131.7 Ų131.779%0.78581%0.806SS**  169.3128.798.7-93.2171.1-172.8-169.73.2114.6
506R25.9Very low27.7Very low233 Ų233128.2 Ų128.288%0.87981%0.806SS**  trans59.5122.6136.3-70.9-179.4174.8-179.1-2.5121
507G25.8Very low27.8Very low81 Ų81125.9 Ų125.984%0.83581%0.808SS**  trans177.287.7154.100000112.3
508S25.4Very low27.4Very low113 Ų113130 Ų13079%0.7981%0.812SS**  trans-76.7137.7178.3-176.40000112
509R27.5Very low27.1Very low213 Ų213131.6 Ų131.680%0.80481%0.811SS**  161.2134.3121.9-94.7-175.6142.2144.10.2115.2
510D26.4Very low26.7Very low119 Ų119135.1 Ų135.164%0.63682%0.815SS**  trans59.2112.2132.5-55.7-25.6000119.5
511V27.5Very low26.7Very low135 Ų135136.5 Ų136.582%0.81881%0.812SS**  105.8142.468.9158.80000112
512A28.1Very low26.6Very low98 Ų98139.5 Ų139.581%0.8181%0.81SS**  trans85.5134.9167.600000116.8
513G25.3Very low26.6Very low82 Ų82133.9 Ų133.985%0.84580%0.799SS**  cis112.2114.414.300000111
514G25.3Very low26.6Very low76 Ų76138.6 Ų138.678%0.78480%0.801SS**  trans126106.6169.500000113.4
515A25.3Very low26.5Very low104 Ų104138.9 Ų138.986%0.8680%0.803SS**  78.6122.585.700000113.6
516G24Very low26.5Very low73 Ų73133.3 Ų133.375%0.75380%0.801SS**  trans-71-157.4-178.900000114.6
517P37.7Very low26.5Very low121 Ų121125.3 Ų125.379%0.78679%0.791SS**  cis-144.1-179.716.941.2-19.9000117.4
518R24.8Very low26.7Very low241 Ų241127 Ų12791%0.90979%0.787SS**  trans51.6128143.3-75.2175.8177.7-168.3-1.9123.6
519S26.1Very low26.7Very low112 Ų112127.6 Ų127.678%0.78379%0.786SS**  -172.8107123.953.40000108.9
520E23.7Very low26.6Very low187 Ų187122.3 Ų122.387%0.87479%0.789SS**  54.3109.289.9-86.4-175.1159.500115.8
521S28.1Very low26.5Very low112 Ų112125.1 Ų125.178%0.78380%0.798SS**  trans-171.589.4138.162.60000110.9
522D24.6Very low26.4Very low136 Ų136131.2 Ų131.273%0.72781%0.806SS**  42.8135.1119.8-80.6-24.7000124.6
523L27.1Very low26.3Very low141 Ų141131.8 Ų131.874%0.73881%0.805SS**  trans70.2131.1135.9-71.4158.9000117.2
524E26.5Very low26.4Very low172 Ų172131.6 Ų131.680%0.80480%0.803SS**  cis-159148.623.9-108169.7-172.100111.7
525D25Very low26.3Very low159 Ų159135.5 Ų135.585%0.8581%0.806SS**  trans-82.2130.6165173.833.4000109.6
526A27Very low26.9Very low92 Ų92134.6 Ų134.676%0.7681%0.806SS**  trans-157.194.9165.100000109.8
527G25.8Very low27.5Very low65 Ų65136.7 Ų136.767%0.6781%0.809SS**  trans-65.5164.9159.900000111.7
528P30.5Very low26.9Very low115 Ų115134.9 Ų134.975%0.74781%0.813SS**  trans-131.8127.11358.813.5000113.4
529T25.1Very low27.1Very low126 Ų126128.5 Ų128.577%0.77381%0.805SS**  48.9112.2124.156.90000119.5
530A25.7Very low27.1Very low103 Ų103130.4 Ų130.485%0.85181%0.806SS**  trans-73.9120154.200000110.2
531E23.8Very low27.7Very low178 Ų178132.2 Ų132.283%0.83280%0.804SS**  trans-113.3123.5159.1-81.7-172154.800109
532W25.2Very low28Very low262 Ų262137.6 Ų137.699%0.99281%0.807SS**  trans-95.1115167.3-107.147.5000107.8
533S26.9Very low28.7Very low111 Ų111137.3 Ų137.378%0.77682%0.816SS**  trans-128.6123.5161.7-69.50000107
534G25.7Very low29.1Very low78 Ų78132.7 Ų132.780%0.80480%0.803SS**  trans-99.8139.9-171.800000113.4
535D24.6Very low30.4Very low158 Ų158129.2 Ų129.285%0.84580%0.798SS**  trans-161.2121.4155.637.9-12.3000109.3S537D535-S537 PolarHBondContact O-N 3.43Å
536G37.3Very low31.5Very low84 Ų84129.2 Ų129.287%0.86679%0.79SS**  trans-74.6123.6-168.400000113.7
537S35.7Very low33Very low118 Ų118126.6 Ų126.683%0.82577%0.772SS**  trans-173.972.1140.354.70000110.8D535 S539D535-S537 PolarHBondContact O-N 3.43Å; S537-S539 PolarHBondContact O-N 3.32Å; S537-S539 VanDerWaalsContact O-N 3.13Å
538G26.7Very low34.7Very low83 Ų83131.9 Ų131.986%0.85678%0.776SS**  trans-83.881.2-179.800000113.7L540G538-L540 PolarHBondContact O-N 3.48Å
539S27.3Very low35.4Very low107 Ų107132 Ų13275%0.74877%0.77SS**  trans-70.7104.3158.8-178.40000108.7S537 R541S537-S539 PolarHBondContact O-N 3.32Å; S537-S539 VanDerWaalsContact O-N 3.13Å; S539-R541 VanDerWaalsContact C-N 3.33Å; S539-R541 PolarHBondContact O-N 2.92Å
540L27.4Very low37.3Very low152 Ų152134.7 Ų134.780%0.79677%0.766SS**  trans-70.487179-16572.7000110G538 R542G538-L540 PolarHBondContact O-N 3.48Å; L540-R542 PolarHBondContact O-N 2.86Å
541R35.1Very low38.9Very low225 Ų225133.5 Ų133.585%0.84975%0.745SS**  trans-68.1102.1172.5-64.8-174.378.7-141.86.2109S539 S543S539-R541 VanDerWaalsContact C-N 3.33Å; S539-R541 PolarHBondContact O-N 2.92Å; R541-S543 PolarHBondContact O-N 3.32Å
542R34.4Very low40.7Very low224 Ų224127.5 Ų127.585%0.84573%0.726SS**  trans-64.3119.5165.9-72.1-178.7175.7-109.9-0.7108.9L540 G544L540-R542 PolarHBondContact O-N 2.86Å; R542-G544 PolarHBondContact O-N 3.34Å
543S40Very low42.2Very low130 Ų130120.9 Ų120.991%0.90971%0.709SS**  trans-61.590.8171.735.80000110.6R541R541-S543 PolarHBondContact O-N 3.32Å
544G35.4Very low44.3Very low44 Ų44122 Ų12245%0.45470%0.697SS.*  trans-95.9130.5165.700000109.9R542 F546 G547R542-G544 PolarHBondContact O-N 3.34Å; G544-F546 PolarHBondContact O-N 3.4Å; G544-G547 PolarHBondContact O-N 3.41Å; G544-G547 VanDerWaalsContact O-N 3.08Å
545S54.4Low46Very low100 Ų100125.8 Ų125.870%0.69969%0.687SS**THydrogen-bonded Turntrans-47.7-7.4170.640.30000115.8
546F46.9Very low47.6Very low159 Ų159121.4 Ų121.470%0.69767%0.668SS**Hα-helixtrans-77.8-24.5173.8-74.5-82.8000114.9G544 L549 R550G544-F546 PolarHBondContact O-N 3.4Å; F546-L549 PolarHBondContact O-N 2.91Å; F546-R550 WeakPolarHBondContact O-CB 3.5Å; F546-R550 PolarHBondContact O-N 2.91Å
547G58.6Low48.5Very low36 Ų36120.2 Ų120.237%0.37165%0.647SS.*Hα-helixtrans-65.8-45177.900000112.1G544 L549 R550 D551G544-G547 PolarHBondContact O-N 3.41Å; G544-G547 VanDerWaalsContact O-N 3.08Å; G547-L549 VanDerWaalsContact C-N 3.3Å; G547-L549 PolarHBondContact O-N 2.86Å; G547-R550 PolarHBondContact O-N 3.25Å; G547-D551 PolarHBondContact O-N 2.98Å
548K62.2Low49.8Very low177 Ų177119.8 Ų119.877%0.7763%0.632SS**Hα-helixtrans-63.4-35.5176.9-64.5-177.7179.2-179.30112.1A552K548-A552 VanDerWaalsContact O-CB 3.27Å; K548-A552 WeakPolarHBondContact O-CB 3.37Å; K548-A552 PolarHBondContact O-N 3.04Å
549L46.1Very low51.4Low116 Ų116122.3 Ų122.361%0.60762%0.623SS**Hα-helixtrans-69.2-41.1175.8-157.188.1000111.6F546 G547 A552 L553F546-L549 PolarHBondContact O-N 2.91Å; G547-L549 VanDerWaalsContact C-N 3.3Å; G547-L549 PolarHBondContact O-N 2.86Å; L549-A552 PolarHBondContact O-N 3.37Å; L549-L553 WeakPolarHBondContact O-CB 3.41Å; L549-L553 PolarHBondContact O-N 3.16Å
550R63.4Low52.7Low183 Ų183122.3 Ų122.369%0.69161%0.614SS**Hα-helixtrans-67.9-37.7178-164.1178.8-171.11762.3112.2F546 G547 L553 R554F546-R550 WeakPolarHBondContact O-CB 3.5Å; F546-R550 PolarHBondContact O-N 2.91Å; G547-R550 PolarHBondContact O-N 3.25Å; R550-L553 PolarHBondContact O-N 3.41Å; R550-R554 WeakPolarHBondContact O-CB 3.49Å; R550-R554 PolarHBondContact O-N 2.91Å
551D59.8Low54.4Low78 Ų78118.4 Ų118.442%0.41760%0.596SS.*Hα-helixtrans-74.9-28.4176.4-66.3-26.3000112.3G547 R555G547-D551 PolarHBondContact O-N 2.98Å; D551-R555 WeakPolarHBondContact O-CB 3.47Å; D551-R555 VanDerWaalsContact O-CG 3.27Å; D551-R555 WeakPolarHBondContact O-CG 3.31Å; D551-R555 PolarHBondContact O-N 3.25Å; D551-R555 VanDerWaalsContact O-N 3.15Å; D551-R555 PolarHBondContact O-NE 2.96Å
552A62.4Low55.6Low52 Ų52115.2 Ų115.243%0.4359%0.588SS.*Hα-helixtrans-70.7-43.1170.100000111.3K548 L549 R555 S556K548-A552 VanDerWaalsContact O-CB 3.27Å; K548-A552 WeakPolarHBondContact O-CB 3.37Å; K548-A552 PolarHBondContact O-N 3.04Å; L549-A552 PolarHBondContact O-N 3.37Å; A552-R555 PolarHBondContact O-N 3.39Å; A552-S556 PolarHBondContact O-N 3.38Å; A552-S556 PolarHBondContact O-OG 3.42Å
553L56.3Low56.8Low123 Ų123113 Ų11364%0.64459%0.585SS**Hα-helixtrans-66.7-37.5178.4-150.181.4000112L549 R550 S556 S557L549-L553 WeakPolarHBondContact O-CB 3.41Å; L549-L553 PolarHBondContact O-N 3.16Å; R550-L553 PolarHBondContact O-N 3.41Å; L553-S556 WeakPolarHBondContact CA-OG 3.47Å; L553-S556 PolarHBondContact O-OG 3.41Å; L553-S557 WeakPolarHBondContact O-CB 3.46Å; L553-S557 PolarHBondContact O-N 2.94Å; L553-S557 PolarHBondContact O-OG 3.45Å
554R69.8Low57.2Low134 Ų134113.3 Ų113.351%0.50658%0.576SS.*Hα-helixtrans-63.9-48.6173.4-172.5-177.2-66.6-114.71.7110.8R550 S556 S557 E558R550-R554 WeakPolarHBondContact O-CB 3.49Å; R550-R554 PolarHBondContact O-N 2.91Å; R554-S556 PolarHBondContact O-N 3.45Å; R554-S557 WeakPolarHBondContact CA-OG 3.49Å; R554-S557 PolarHBondContact O-N 3.24Å; R554-S557 PolarHBondContact O-OG 3.22Å; R554-E558 WeakPolarHBondContact O-CG 3.4Å; R554-E558 PolarHBondContact O-N 3.4Å
555R62.9Low57.8Low159 Ų159118.4 Ų118.460%0.659%0.588SS**Hα-helixtrans-63.5-38177.4-77.2-178.2-90.1-159.4-5.6113.3D551 A552 M559D551-R555 WeakPolarHBondContact O-CB 3.47Å; D551-R555 VanDerWaalsContact O-CG 3.27Å; D551-R555 WeakPolarHBondContact O-CG 3.31Å; D551-R555 PolarHBondContact O-N 3.25Å; D551-R555 VanDerWaalsContact O-N 3.15Å; D551-R555 PolarHBondContact O-NE 2.96Å; A552-R555 PolarHBondContact O-N 3.39Å; R555-M559 WeakPolarHBondContact O-CB 3.47Å; R555-M559 VanDerWaalsContact O-CG 3.3Å; R555-M559 WeakPolarHBondContact O-CG 3.3Å; R555-M559 PolarHBondContact O-N 3Å
556S57.2Low57.5Low65 Ų65117.2 Ų117.246%0.45559%0.591SS.*Hα-helixtrans-69.1-36.6174.359.90000112.1A552 L553 R554 L560A552-S556 PolarHBondContact O-N 3.38Å; A552-S556 PolarHBondContact O-OG 3.42Å; L553-S556 WeakPolarHBondContact CA-OG 3.47Å; L553-S556 PolarHBondContact O-OG 3.41Å; R554-S556 PolarHBondContact O-N 3.45Å; S556-L560 WeakPolarHBondContact O-CB 3.34Å; S556-L560 PolarHBondContact O-N 3.33Å
557S55.8Low57.5Low59 Ų59112.9 Ų112.941%0.41359%0.592SS.*Hα-helixtrans-68.4-38.6175.2710000112.2L553 R554 L560 V561L553-S557 WeakPolarHBondContact O-CB 3.46Å; L553-S557 PolarHBondContact O-N 2.94Å; L553-S557 PolarHBondContact O-OG 3.45Å; R554-S557 WeakPolarHBondContact CA-OG 3.49Å; R554-S557 PolarHBondContact O-N 3.24Å; R554-S557 PolarHBondContact O-OG 3.22Å; S557-L560 PolarHBondContact O-N 3.08Å; S557-V561 WeakPolarHBondContact O-CB 3.34Å; S557-V561 WeakPolarHBondContact O-CG2 3.48Å; S557-V561 PolarHBondContact O-N 2.88Å
558E64Low56.4Low109 Ų109114.6 Ų114.651%0.50961%0.61SS.*Hα-helixtrans-67.6-40.9175.5-77.4169.8-173.200111.7R554 L560 V561 K562R554-E558 WeakPolarHBondContact O-CG 3.4Å; R554-E558 PolarHBondContact O-N 3.4Å; E558-L560 VanDerWaalsContact C-N 3.34Å; E558-L560 PolarHBondContact O-N 3.31Å; E558-V561 PolarHBondContact O-N 3.18Å; E558-K562 VanDerWaalsContact O-CB 3.23Å; E558-K562 WeakPolarHBondContact O-CB 3.31Å; E558-K562 PolarHBondContact O-N 3.24Å
559M59.6Low55.3Low136 Ų136112.6 Ų112.667%0.6762%0.615SS**Hα-helixtrans-64.3-36.9174.3-77.6-81.9-133.400112.8R555 K563R555-M559 WeakPolarHBondContact O-CB 3.47Å; R555-M559 VanDerWaalsContact O-CG 3.3Å; R555-M559 WeakPolarHBondContact O-CG 3.3Å; R555-M559 PolarHBondContact O-N 3Å; M559-K563 WeakPolarHBondContact O-CB 3.43Å; M559-K563 PolarHBondContact O-N 3.01Å
560L55.9Low54.9Low108 Ų108116.5 Ų116.557%0.56563%0.63SS**Hα-helixtrans-70.9-42.6176.6-160.783.1000111.1S556 S557 E558 K562 K563 L564S556-L560 WeakPolarHBondContact O-CB 3.34Å; S556-L560 PolarHBondContact O-N 3.33Å; S557-L560 PolarHBondContact O-N 3.08Å; E558-L560 VanDerWaalsContact C-N 3.34Å; E558-L560 PolarHBondContact O-N 3.31Å; L560-K562 VanDerWaalsContact C-N 3.33Å; L560-K562 PolarHBondContact O-N 2.94Å; L560-K563 PolarHBondContact O-N 3.05Å; L560-L564 HydrophobicContact CD2-CD1 4.31Å; L560-L564 HydrophobicContact CG-CD1 4.12Å; L560-L564 WeakPolarHBondContact O-CB 3.47Å; L560-L564 VanDerWaalsContact O-CG 3.27Å; L560-L564 WeakPolarHBondContact O-CG 3.4Å; L560-L564 PolarHBondContact O-N 2.87Å
561V62.6Low53.6Low70 Ų70116.4 Ų116.442%0.42464%0.637SS.*Hα-helixtrans-63.9-39.4174.9170.40000110.8S557 E558 K563 L564 Q565S557-V561 WeakPolarHBondContact O-CB 3.34Å; S557-V561 WeakPolarHBondContact O-CG2 3.48Å; S557-V561 PolarHBondContact O-N 2.88Å; E558-V561 PolarHBondContact O-N 3.18Å; V561-K563 PolarHBondContact O-N 2.94Å; V561-L564 PolarHBondContact O-N 3.27Å; V561-Q565 HydrophobicContact CG1-CG 4.36Å; V561-Q565 VanDerWaalsContact O-CB 3.27Å; V561-Q565 WeakPolarHBondContact O-CB 3.47Å; V561-Q565 WeakPolarHBondContact O-CG 3.4Å; V561-Q565 PolarHBondContact O-N 3.13Å
562K59.3Low52.5Low157 Ų157118.2 Ų118.268%0.68365%0.653SS**Hα-helixtrans-69.3-30.3176.3-151.5174-172.2179.80112.8E558 L560E558-K562 VanDerWaalsContact O-CB 3.23Å; E558-K562 WeakPolarHBondContact O-CB 3.31Å; E558-K562 PolarHBondContact O-N 3.24Å; L560-K562 VanDerWaalsContact C-N 3.33Å; L560-K562 PolarHBondContact O-N 2.94Å
563K59.3Low51.3Low177 Ų177121.7 Ų121.777%0.7767%0.671SS**Hα-helixtrans-75.9-31.1170.8-85.7-178.1173-179.20113.3M559 L560 V561M559-K563 WeakPolarHBondContact O-CB 3.43Å; M559-K563 PolarHBondContact O-N 3.01Å; L560-K563 PolarHBondContact O-N 3.05Å; V561-K563 PolarHBondContact O-N 2.94Å
564L49.4Very low50.2Low138 Ų138123.6 Ų123.672%0.72368%0.682SS**Hα-helixtrans-82.3-23.3176.9-71.4166.9000112.8L560 V561 G566L560-L564 HydrophobicContact CD2-CD1 4.31Å; L560-L564 HydrophobicContact CG-CD1 4.12Å; L560-L564 WeakPolarHBondContact O-CB 3.47Å; L560-L564 VanDerWaalsContact O-CG 3.27Å; L560-L564 WeakPolarHBondContact O-CG 3.4Å; L560-L564 PolarHBondContact O-N 2.87Å; V561-L564 PolarHBondContact O-N 3.27Å; L564-G566 VanDerWaalsContact C-N 3.34Å; L564-G566 PolarHBondContact O-N 3.14Å
565Q47.8Very low49.1Very low150 Ų150122.5 Ų122.570%0.70169%0.693SS**THydrogen-bonded Turntrans-86.910.6178.4-82.3179.7-18.600115.2V561 G567V561-Q565 HydrophobicContact CG1-CG 4.36Å; V561-Q565 VanDerWaalsContact O-CB 3.27Å; V561-Q565 WeakPolarHBondContact O-CB 3.47Å; V561-Q565 WeakPolarHBondContact O-CG 3.4Å; V561-Q565 PolarHBondContact O-N 3.13Å; Q565-G567 PolarHBondContact O-N 2.89Å
566G48.5Very low47.8Very low75 Ų75126.3 Ų126.377%0.77371%0.707SS**THydrogen-bonded Turntrans48.657.1160.500000115.8L564L564-G566 VanDerWaalsContact C-N 3.34Å; L564-G566 PolarHBondContact O-N 3.14Å
567G47Very low46.8Very low69 Ų69132.2 Ų132.271%0.71173%0.729SS**  trans-148.598.9176.800000112.8Q565Q565-G567 PolarHBondContact O-N 2.89Å
568G35.4Very low46Very low72 Ų72139.5 Ų139.574%0.74275%0.754SS**  trans-179.5143.3171.200000111.7
569P39.5Very low44.6Very low135 Ų135145.8 Ų145.888%0.87777%0.773SS**  trans-79.6157.1-145.131.8-36.2000115.5
570Q37.3Very low43.4Very low198 Ų198144.2 Ų144.293%0.92578%0.781SS**  trans-73124.8-175.9-160.517621.800111.5
571E35.3Very low42.2Very low181 Ų181144.4 Ų144.485%0.84679%0.791SS**  trans-114.6150.6163.8-94.7-175.5167.800110.2
572P36.7Very low40.7Very low116 Ų116146.2 Ų146.275%0.75381%0.808SS**PPolyproline II helixtrans-78.7165.2-15531.8-35.3000114.6
573P37.5Very low39.4Very low125 Ų125146.5 Ų146.581%0.81282%0.816SS**PPolyproline II helixtrans-85.2131-159.333.1-31.5000112.4
574N34.2Very low38Very low163 Ų163145.6 Ų145.687%0.87282%0.819SS**PPolyproline II helixtrans-99126.3164.5-118.4-14.7000109.8R576N574-R576 PolarHBondContact O-N 2.68Å
575P46.1Very low37.1Very low111 Ų111148.6 Ų148.672%0.72183%0.827SS**  trans-94.196.2-169.634.9-29.5000110.3
576R35Very low36.2Very low239 Ų239149.1 Ų149.190%0.90283%0.834SS**  trans179.8104.1154.4-104.3159178.3-159.4-1110.2N574N574-R576 PolarHBondContact O-N 2.68Å
577M37.1Very low35.2Very low188 Ų188153.2 Ų153.293%0.92684%0.838SS**  trans156.3120.9136.8-84.1165.669.200109.5
578K38.8Very low34.4Very low212 Ų212159.8 Ų159.892%0.92285%0.847SS**PPolyproline II helixtrans-69.6125.1-175.8-63.1174.8177.71790109.7
579R34.1Very low34.1Very low242 Ų242161.5 Ų161.591%0.91385%0.847SS**PPolyproline II helixtrans-79.1127.1165.6-78.2-176.2-163.1159.46.8109.3
580A33.7Very low33.6Very low102 Ų102161 Ų16184%0.84384%0.842SS**PPolyproline II helixtrans-77.5124.6161.800000108.8
581S32.5Very low33.3Very low112 Ų112160.4 Ų160.478%0.78384%0.839SS**PPolyproline II helixtrans-79.6129.6174.2-42.60000109.6
582S30.7Very low33Very low109 Ų109160.8 Ų160.876%0.76284%0.841SS**  trans-169134.8145.18.30000111.7
583L31.9Very low33Very low163 Ų163160.4 Ų160.485%0.85384%0.838SS**  trans82.876.1160-59.6169.5000118
584N29.8Very low32.5Very low157 Ų157160.9 Ų160.984%0.8484%0.839SS**  trans-115.6107.7143.6-94.6-20.5000108
585F30.9Very low32.4Very low201 Ų201161.8 Ų161.888%0.88284%0.838SS**  trans-144.8136.5156.3-102.8-82.5000108.6
586L28.7Very low32.2Very low162 Ų162162.3 Ų162.385%0.84884%0.841SS**  trans8680.9168.6-59.7156.7000117.6
587N27.9Very low31.8Very low160 Ų160154.6 Ų154.686%0.85684%0.836SS**  -171.3110.8110.9-124.1-8.9000111
588K29.8Very low31.3Very low207 Ų207148.9 Ų148.990%0.983%0.826SS**  trans-137.2106.9161.4-112.9-173179.7-175.40108.3
589S28.3Very low30.9Very low109 Ų109146.1 Ų146.176%0.76283%0.827SS**  trans-89.2128.1164.141.70000109.2
590V29.9Very low30.6Very low125 Ų125137.6 Ų137.676%0.75881%0.814SS**  trans-151.5104.2163.4-1780000104.5
591E29.6Very low30.5Very low185 Ų185140.4 Ų140.486%0.86481%0.814SS**  54.212296.2-83.5-170.1168.800115
592E28.8Very low30.5Very low189 Ų189139.5 Ų139.588%0.88381%0.807SS**  trans-59.5157.8171.6-63.8-174.3131.600112
593P36.8Very low30.6Very low108 Ų108141 Ų14170%0.70181%0.807SS**  -149.4157.993.335.6-16.6000116.4
594T28.8Very low30.6Very low135 Ų135137.8 Ų137.883%0.82880%0.798SS**  trans64.9122.1146.746.10000121.7
595Q31Very low30.8Very low182 Ų182140.5 Ų140.585%0.8580%0.797SS**  trans-55.4173.2161.7-78-157.98.300114.3
596P42.2Very low30.7Very low121 Ų121136.3 Ų136.379%0.78679%0.788SS**  cis-139.9172.61837.4-16.7000117
597G27.3Very low31Very low78 Ų78136 Ų13680%0.80479%0.786SS**  trans139.6113.9149.500000116.9
598G26.6Very low31Very low68 Ų68133.5 Ų133.570%0.70178%0.781SS**  90.496.4128.800000119.7
599T28.6Very low31.1Very low154 Ų154129 Ų12995%0.94578%0.776SS**  60.8126.6126.658.10000121.3
600G28.8Very low31.4Very low62 Ų62129.6 Ų129.664%0.63978%0.78SS**  trans138.887.4150.700000113.9
601L32.4Very low31.7Very low162 Ų162128.6 Ų128.685%0.84878%0.779SS**  80101.3107.8-72168.7000113.1
602S31.5Very low32Very low92 Ų92128.7 Ų128.764%0.64378%0.781SS**  68.6127.8102.867.80000112
603D32.8Very low32.1Very low141 Ų141126.9 Ų126.975%0.75478%0.778SS**  cis-179.4147.141.7-126.2-24.5000108.6
604S33.1Very low32.1Very low96 Ų96130.3 Ų130.367%0.67179%0.789SS**  trans59.7147.6139.281.30000119.3
605R34Very low32.4Very low214 Ų214128.5 Ų128.581%0.80878%0.782SS**  cis-173.8124.713.9-116.9162.1-174.8-176.71.8104.5
606T28.4Very low32.6Very low112 Ų112129.5 Ų129.569%0.68778%0.778SS**  65.5139.610266.80000118.8
607L33.9Very low32.4Very low156 Ų156133.2 Ų133.282%0.81778%0.776SS**  trans96.2105.7155.3-49.9179.4000115.6
608S28.7Very low33Very low107 Ų107134.3 Ų134.375%0.74877%0.772SS**  80.4119.661.6-800000115.5
609S32.2Very low33.8Very low114 Ų114136.6 Ų136.680%0.79778%0.777SS**  trans52.8125.6140.967.50000120.8
610S33.8Very low34.5Very low120 Ų120137 Ų13784%0.83977%0.773SS**  -153.6127.9123.7580000111.5
611S36.3Very low35.6Very low105 Ų105140.9 Ų140.973%0.73478%0.784SS**  trans-78.2143.9159.4590000109.2
612M35.8Very low35.7Very low187 Ų187140.3 Ų140.392%0.92182%0.817SS**  trans-139.5105.6149.1-85.9-156.5151.800110.1
613D31.8Very low35.9Very low151 Ų151142.8 Ų142.881%0.80783%0.825SS**  trans-65.2140.8154.1-89.6-46.4000110.1
614L36.6Very low36.1Very low179 Ų179142.8 Ų142.894%0.93783%0.829SS**  trans-120.6111.3158.4-77.4171.8000108
615S34.4Very low36.3Very low98 Ų98145.4 Ų145.469%0.68584%0.838SS**  trans-116.9143.6178.157.10000111.8
616R35.8Very low36.4Very low203 Ų203141.4 Ų141.477%0.76684%0.84SS**  trans77.9145158.1-70-174.8174-156.30.7117
617R38.2Very low36.9Very low198 Ų198143.3 Ų143.375%0.74785%0.849SS**  cis-164.6148.59.8-128.5171.1-178.1-148.9-2.1109.5
618S39.9Very low37.1Very low101 Ų101142.4 Ų142.471%0.70685%0.851SS**  trans-59.3143155.447.10000113.1
619S43.5Very low37.7Very low116 Ų116144.9 Ų144.981%0.81186%0.859SS**  160.1130.6106.756.30000113
620L42.9Very low38.1Very low164 Ų164147.3 Ų147.386%0.85986%0.864SS**  trans-64.7140.3162.4-81.4125.4000111.1
621V51.1Low38.5Very low143 Ų143149.6 Ų149.687%0.86787%0.866SS**  trans36.1121.8144.6-169.70000118.8
622G35.6Very low38.7Very low150 Ų150153.6 Ų153.6100%1.54688%0.878SS**  trans141.20159.700000112.9

Retrieved 622 of 622 residues in 504.9 ms (Link to these results)