A0A077ZGD3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZGD3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 759 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
1M43.9Very low65.7Low253 Ų25396.5 Ų96.5100%1.24656%0.562SS**  0103.10-66.9169.3176.100105.2
2G44.3Very low66.2Low51 Ų5189.3 Ų89.353%0.52652%0.52SS..  trans-125.1126.2-176.400000109.9N4G2-N4 PolarHBondContact O-N 3.28Å
3D52Low66.9Low160 Ų16088.7 Ų88.786%0.85651%0.513SS*.  569.1123.7-46.5-23.5000120.4A5D3-A5 PolarHBondContact O-N 2.93Å
4N63.5Low67.4Low163 Ų16392.6 Ų92.687%0.87252%0.521SS*.  trans-75.753.8157.7-72.920.4000110.7G2G2-N4 PolarHBondContact O-N 3.28Å
5A64.7Low67.6Low75 Ų7589.2 Ų89.262%0.6250%0.499SS*.PPolyproline II helixtrans-80129.1159.300000107.1D3D3-A5 PolarHBondContact O-N 2.93Å
6P70Confident67.6Low86 Ų8688.8 Ų88.856%0.55849%0.491SS*.PPolyproline II helixtrans-57.9144.6174.126.2-34.7000109.5D10 V11P6-D10 HydrophobicContact CB-CB 4.28Å; P6-V11 HydrophobicContact CB-CG2 3.84Å; P6-V11 HydrophobicContact CG-CG2 3.57Å
7S78.5Confident67.5Low55 Ų5596.1 Ų96.139%0.38551%0.512SS..PPolyproline II helixtrans-61.1159.4-176.6-155.40000110.8E9 D10 V11S7-E9 WeakPolarHBondContact CB-OE2 3.23Å; S7-E9 PolarHBondContact O-N 3.34Å; S7-E9 PolarHBondContact OG-OE2 2.98Å; S7-D10 WeakPolarHBondContact CB-OD1 3.13Å; S7-D10 PolarHBondContact N-OD2 2.98Å; S7-D10 PolarHBondContact O-N 3.37Å; S7-V11 WeakPolarHBondContact O-CG2 3.19Å; S7-V11 PolarHBondContact O-N 2.93Å; S7-V11 VanDerWaalsContact O-N 3.09Å
8I76Confident67.3Low21 Ų2194.8 Ų94.811%0.10851%0.508CS..Hα-helixtrans-65.2-30.6179.2-165.4170.4000110.9I12 W32 N39 I42 I43I8-I12 HydrophobicContact CG1-CD1 3.92Å; I8-I12 VanDerWaalsContact O-CD1 3.29Å; I8-I12 WeakPolarHBondContact O-CD1 3.48Å; I8-I12 WeakPolarHBondContact O-CG1 3.46Å; I8-I12 PolarHBondContact O-N 2.58Å; I8-I12 VanDerWaalsContact O-N 3.15Å; I8-W32 HydrophobicContact CD1-CH2 4.43Å; I8-W32 HydrophobicContact CG1-CH2 3.86Å; I8-N39 HydrophobicContact CD1-CB 3.39Å; I8-I42 HydrophobicContact CD1-CB 4.49Å; I8-I42 HydrophobicContact CG2-CD1 4.14Å; I8-I42 HydrophobicContact CG2-CG2 3.92Å; I8-I43 HydrophobicContact CD1-CD1 4.25Å; I8-I43 HydrophobicContact CD1-CG1 3.84Å
9E78Confident67.1Low85 Ų8593.9 Ų93.940%0.39750%0.503SS..Hα-helixtrans-60.9-61.8168.5-6367.9-147.100110.6S7 V11 I12 D13S7-E9 WeakPolarHBondContact CB-OE2 3.23Å; S7-E9 PolarHBondContact O-N 3.34Å; S7-E9 PolarHBondContact OG-OE2 2.98Å; E9-V11 PolarHBondContact O-N 3.48Å; E9-I12 CarbonylContact O-C 3.38Å; E9-I12 PolarHBondContact O-N 3.27Å; E9-D13 PolarHBondContact O-N 3.43Å
10D78.7Confident67.1Low89 Ų8991.6 Ų91.648%0.47650%0.498SS..Hα-helixtrans-49.3-40.9-179.4-39.3-13.4000112.8P6 S7 K14P6-D10 HydrophobicContact CB-CB 4.28Å; S7-D10 WeakPolarHBondContact CB-OD1 3.13Å; S7-D10 PolarHBondContact N-OD2 2.98Å; S7-D10 PolarHBondContact O-N 3.37Å; D10-K14 WeakPolarHBondContact O-CB 3.25Å; D10-K14 PolarHBondContact O-N 3.37Å
11V72.7Confident67.2Low23 Ų2393 Ų9314%0.13951%0.511CS..Hα-helixtrans-73-36.5-179.3178.80000111.5P6 S7 E9 F15 W32P6-V11 HydrophobicContact CB-CG2 3.84Å; P6-V11 HydrophobicContact CG-CG2 3.57Å; S7-V11 WeakPolarHBondContact O-CG2 3.19Å; S7-V11 PolarHBondContact O-N 2.93Å; S7-V11 VanDerWaalsContact O-N 3.09Å; E9-V11 PolarHBondContact O-N 3.48Å; V11-F15 HydrophobicContact CG1-CD2 3.98Å; V11-F15 HydrophobicContact CG1-CE2 3.45Å; V11-F15 VanDerWaalsContact CG1-CE2 3.45Å; V11-F15 HydrophobicContact CG1-CZ 3.83Å; V11-F15 WeakPolarHBondContact O-CD2 3.29Å; V11-F15 VanDerWaalsContact O-CG 3.23Å; V11-F15 WeakPolarHBondContact O-CG 3.47Å; V11-F15 PolarHBondContact O-N 3.49Å; V11-W32 HydrophobicContact CB-CH2 4.3Å; V11-W32 HydrophobicContact CB-CZ2 3.77Å; V11-W32 HydrophobicContact CG1-CH2 3.92Å; V11-W32 HydrophobicContact CG1-CZ2 3.27Å; V11-W32 HydrophobicContact CG2-CZ2 4.36Å
12I71.8Confident69.1Low11 Ų1184.1 Ų84.16%0.05647%0.471CS..Hα-helixtrans-77.6-40.6178.1-61.5162.2000111.4I8 E9 K14 F15 E16 W32 I43 A46I8-I12 HydrophobicContact CG1-CD1 3.92Å; I8-I12 VanDerWaalsContact O-CD1 3.29Å; I8-I12 WeakPolarHBondContact O-CD1 3.48Å; I8-I12 WeakPolarHBondContact O-CG1 3.46Å; I8-I12 PolarHBondContact O-N 2.58Å; I8-I12 VanDerWaalsContact O-N 3.15Å; E9-I12 CarbonylContact O-C 3.38Å; E9-I12 PolarHBondContact O-N 3.27Å; I12-K14 VanDerWaalsContact C-N 3.3Å; I12-K14 PolarHBondContact O-N 3.04Å; I12-F15 CarbonylContact O-C 3.48Å; I12-F15 WeakPolarHBondContact O-CA 3.37Å; I12-F15 WeakPolarHBondContact O-CB 3.34Å; I12-F15 PolarHBondContact O-N 2.87Å; I12-E16 PolarHBondContact O-N 2.9Å; I12-W32 HydrophobicContact CG1-CH2 4.11Å; I12-W32 HydrophobicContact CG1-CZ3 4.36Å; I12-I43 HydrophobicContact CD1-CG1 4.31Å; I12-A46 HydrophobicContact CB-CB 4.32Å; I12-A46 HydrophobicContact CD1-CB 4.09Å; I12-A46 HydrophobicContact CG2-CB 3.49Å; I12-A46 VanDerWaalsContact CG2-CB 3.49Å
13D75.9Confident70.9Confident81 Ų8188.4 Ų88.443%0.43348%0.478SS..Hα-helixtrans-61.5-43.3174.4-72.54.5000109.8E9 F15 E16 Y17E9-D13 PolarHBondContact O-N 3.43Å; D13-F15 VanDerWaalsContact C-N 3.28Å; D13-F15 PolarHBondContact O-N 3.19Å; D13-E16 PolarHBondContact O-N 3.4Å; D13-E16 VanDerWaalsContact O-N 3.09Å; D13-Y17 VanDerWaalsContact O-CD2 3.29Å; D13-Y17 WeakPolarHBondContact O-CD2 3.4Å; D13-Y17 PolarHBondContact O-N 2.95Å; D13-Y17 VanDerWaalsContact O-N 3.12Å
14K73.6Confident72.4Confident144 Ų14488.4 Ų88.463%0.62647%0.473SS*.Hα-helixtrans-60.2-35.6170.6-173.3165.6-172.6162.70112.5D10 I12 T18D10-K14 WeakPolarHBondContact O-CB 3.25Å; D10-K14 PolarHBondContact O-N 3.37Å; I12-K14 VanDerWaalsContact C-N 3.3Å; I12-K14 PolarHBondContact O-N 3.04Å; K14-T18 HydrophobicContact CG-CG2 4.44Å; K14-T18 VanDerWaalsContact O-CB 3.31Å; K14-T18 WeakPolarHBondContact O-CB 3.48Å; K14-T18 WeakPolarHBondContact O-CG2 3.44Å; K14-T18 PolarHBondContact O-N 2.94Å; K14-T18 PolarHBondContact O-OG1 3.31Å
15F69.9Low73.3Confident41 Ų4182.7 Ų82.718%0.1844%0.443CS..Hα-helixtrans-69.4-38.7171.6-70.2-40.1000112.3V11 I12 D13 Y17 T18 L19 V29 W32V11-F15 HydrophobicContact CG1-CD2 3.98Å; V11-F15 HydrophobicContact CG1-CE2 3.45Å; V11-F15 VanDerWaalsContact CG1-CE2 3.45Å; V11-F15 HydrophobicContact CG1-CZ 3.83Å; V11-F15 WeakPolarHBondContact O-CD2 3.29Å; V11-F15 VanDerWaalsContact O-CG 3.23Å; V11-F15 WeakPolarHBondContact O-CG 3.47Å; V11-F15 PolarHBondContact O-N 3.49Å; I12-F15 CarbonylContact O-C 3.48Å; I12-F15 WeakPolarHBondContact O-CA 3.37Å; I12-F15 WeakPolarHBondContact O-CB 3.34Å; I12-F15 PolarHBondContact O-N 2.87Å; D13-F15 VanDerWaalsContact C-N 3.28Å; D13-F15 PolarHBondContact O-N 3.19Å; F15-Y17 PolarHBondContact O-N 3.43Å; F15-T18 CarbonylContact O-C 3.56Å; F15-T18 PolarHBondContact O-N 3.24Å; F15-T18 VanDerWaalsContact O-N 3.11Å; F15-L19 HydrophobicContact CB-CD1 4.44Å; F15-L19 HydrophobicContact CB-CG 4.42Å; F15-L19 VanDerWaalsContact O-CB 3.22Å; F15-L19 WeakPolarHBondContact O-CB 3.35Å; F15-L19 WeakPolarHBondContact O-CD1 3.44Å; F15-L19 WeakPolarHBondContact O-CG 3.41Å; F15-L19 PolarHBondContact O-N 3.49Å; F15-V29 HydrophobicContact CD1-CG2 3.76Å; F15-V29 HydrophobicContact CD2-CG1 4.44Å; F15-V29 HydrophobicContact CD2-CG2 4.25Å; F15-V29 HydrophobicContact CE1-CG2 3.65Å; F15-V29 HydrophobicContact CE2-CG1 4.47Å; F15-V29 HydrophobicContact CE2-CG2 4.14Å; F15-V29 HydrophobicContact CG-CG2 4.08Å; F15-V29 HydrophobicContact CZ-CG2 3.86Å; F15-W32 HydrophobicContact CE2-CD2 4.01Å; F15-W32 HydrophobicContact CE2-CE3 4.04Å; F15-W32 HydrophobicContact CE2-CG 4.47Å; F15-W32 HydrophobicContact CE2-CZ2 4.49Å; F15-W32 HydrophobicContact CE2-CZ3 4.29Å
16E68.2Low74.1Confident82 Ų8283 Ų8338%0.38343%0.434SS..Hα-helixtrans-58.8-36.8177.3-167155.8-152.300111.1I12 D13I12-E16 PolarHBondContact O-N 2.9Å; D13-E16 PolarHBondContact O-N 3.4Å; D13-E16 VanDerWaalsContact O-N 3.09Å
17Y66.4Low74.9Confident213 Ų21384.3 Ų84.384%0.83543%0.433SS*.Hα-helixtrans-83.4-24.7171.9-69.8-73.1000115.9D13 F15D13-Y17 VanDerWaalsContact O-CD2 3.29Å; D13-Y17 WeakPolarHBondContact O-CD2 3.4Å; D13-Y17 PolarHBondContact O-N 2.95Å; D13-Y17 VanDerWaalsContact O-N 3.12Å; F15-Y17 PolarHBondContact O-N 3.43Å
18T63Low75.3Confident74 Ų7485.3 Ų85.345%0.45444%0.439SS..Hα-helixtrans-11312.3-174.764.90000115.4K14 F15 A20K14-T18 HydrophobicContact CG-CG2 4.44Å; K14-T18 VanDerWaalsContact O-CB 3.31Å; K14-T18 WeakPolarHBondContact O-CB 3.48Å; K14-T18 WeakPolarHBondContact O-CG2 3.44Å; K14-T18 PolarHBondContact O-N 2.94Å; K14-T18 PolarHBondContact O-OG1 3.31Å; F15-T18 CarbonylContact O-C 3.56Å; F15-T18 PolarHBondContact O-N 3.24Å; F15-T18 VanDerWaalsContact O-N 3.11Å; T18-A20 PolarHBondContact O-N 3.42Å
19L64.7Low75.7Confident77 Ų7785.2 Ų85.240%0.40344%0.44SS..  trans-70.461.1170.6-90.2164.9000112.2F15 V25 V29F15-L19 HydrophobicContact CB-CD1 4.44Å; F15-L19 HydrophobicContact CB-CG 4.42Å; F15-L19 VanDerWaalsContact O-CB 3.22Å; F15-L19 WeakPolarHBondContact O-CB 3.35Å; F15-L19 WeakPolarHBondContact O-CD1 3.44Å; F15-L19 WeakPolarHBondContact O-CG 3.41Å; F15-L19 PolarHBondContact O-N 3.49Å; L19-V25 HydrophobicContact CD2-CG1 4.17Å; L19-V29 HydrophobicContact CD2-CG2 4.45Å
20A66.3Low76.1Confident48 Ų4884 Ų8440%0.39744%0.44SS..  trans-54.4131.5160.400000108.5T18 T22T18-A20 PolarHBondContact O-N 3.42Å; A20-T22 HydrophobicContact CB-CG2 4.49Å; A20-T22 PolarHBondContact O-N 3.24Å
21P70.2Confident76.7Confident121 Ų12186.4 Ų86.479%0.78645%0.447SS*.SBendtrans-75.834.6-170.531.8-37.8000113.7
22T82.1Confident77.6Confident66 Ų6687.1 Ų87.141%0.40545%0.447SS..  trans-83.8144.6176.666.20000110.5A20 E24 V25 I26A20-T22 HydrophobicContact CB-CG2 4.49Å; A20-T22 PolarHBondContact O-N 3.24Å; T22-E24 VanDerWaalsContact C-N 3.25Å; T22-E24 PolarHBondContact O-N 2.75Å; T22-V25 PolarHBondContact O-N 2.98Å; T22-V25 VanDerWaalsContact OG1-CG2 3.28Å; T22-V25 WeakPolarHBondContact OG1-CG2 3.28Å; T22-I26 WeakPolarHBondContact O-CG1 3.39Å; T22-I26 PolarHBondContact O-N 3.13Å
23Q82.2Confident78.5Confident141 Ų14188 Ų8866%0.65945%0.453SS*.Hα-helixtrans-59.3-37.7-179.8-178.5175.6-22.400112.1I26 E27Q23-I26 PolarHBondContact O-N 3.31Å; Q23-E27 HydrophobicContact CG-CG 4.29Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.39Å; Q23-E27 PolarHBondContact NE2-OE1 3.17Å; Q23-E27 WeakPolarHBondContact O-CB 3.23Å; Q23-E27 WeakPolarHBondContact O-CG 3.49Å; Q23-E27 PolarHBondContact O-N 2.95Å
24E84.9Confident79.2Confident161 Ų16189.9 Ų89.975%0.75246%0.463SS*.Hα-helixtrans-63.1-42.8-179.3-61.3177.1178.700112.5T22 S28T22-E24 VanDerWaalsContact C-N 3.25Å; T22-E24 PolarHBondContact O-N 2.75Å; E24-S28 VanDerWaalsContact O-CB 3.23Å; E24-S28 WeakPolarHBondContact O-CB 2.9Å; E24-S28 PolarHBondContact O-N 2.84Å
25V81.6Confident80.1Confident42 Ų4288 Ų8826%0.25546%0.46SS..Hα-helixtrans-65.7-45.6174.8172.50000110.3L19 T22 E27 S28 V29L19-V25 HydrophobicContact CD2-CG1 4.17Å; T22-V25 PolarHBondContact O-N 2.98Å; T22-V25 VanDerWaalsContact OG1-CG2 3.28Å; T22-V25 WeakPolarHBondContact OG1-CG2 3.28Å; V25-E27 PolarHBondContact O-N 2.85Å; V25-S28 PolarHBondContact O-N 2.75Å; V25-V29 HydrophobicContact CG1-CG2 4.27Å; V25-V29 WeakPolarHBondContact O-CB 3.4Å; V25-V29 VanDerWaalsContact O-CG2 3.3Å; V25-V29 WeakPolarHBondContact O-CG2 3.34Å; V25-V29 PolarHBondContact O-N 3.33Å
26I81.6Confident81.1Confident83 Ų8391.2 Ų91.243%0.42647%0.471SS..Hα-helixtrans-61.7-42.1179.4-65166.5000111.4T22 Q23 S30T22-I26 WeakPolarHBondContact O-CG1 3.39Å; T22-I26 PolarHBondContact O-N 3.13Å; Q23-I26 PolarHBondContact O-N 3.31Å; I26-S30 WeakPolarHBondContact O-CB 3.41Å; I26-S30 PolarHBondContact O-N 3.3Å; I26-S30 PolarHBondContact O-OG 2.74Å
27E87.2Confident82.2Confident113 Ų11395.5 Ų95.553%0.52848%0.484SS..Hα-helixtrans-68.5-40.7176.4-74.8-177.4-165.100112.3Q23 V25 S30 K31Q23-E27 HydrophobicContact CG-CG 4.29Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.39Å; Q23-E27 PolarHBondContact NE2-OE1 3.17Å; Q23-E27 WeakPolarHBondContact O-CB 3.23Å; Q23-E27 WeakPolarHBondContact O-CG 3.49Å; Q23-E27 PolarHBondContact O-N 2.95Å; V25-E27 PolarHBondContact O-N 2.85Å; E27-S30 PolarHBondContact O-N 3.29Å; E27-K31 WeakPolarHBondContact O-CB 3.14Å; E27-K31 PolarHBondContact O-N 2.9Å
28S86.2Confident83.3Confident75 Ų7593.5 Ų93.552%0.52448%0.482SS..Hα-helixtrans-62.3-49.1176.4-172.30000112E24 V25 K31 W32E24-S28 VanDerWaalsContact O-CB 3.23Å; E24-S28 WeakPolarHBondContact O-CB 2.9Å; E24-S28 PolarHBondContact O-N 2.84Å; V25-S28 PolarHBondContact O-N 2.75Å; S28-K31 PolarHBondContact O-N 2.81Å; S28-W32 WeakPolarHBondContact O-CB 3.23Å; S28-W32 PolarHBondContact O-N 2.94Å
29V84.4Confident84.5Confident19 Ų1993.4 Ų93.412%0.11548%0.478CS..Hα-helixtrans-61.4-46.5174.8173.20000110.6F15 L19 V25 K31 W32 C33F15-V29 HydrophobicContact CD1-CG2 3.76Å; F15-V29 HydrophobicContact CD2-CG1 4.44Å; F15-V29 HydrophobicContact CD2-CG2 4.25Å; F15-V29 HydrophobicContact CE1-CG2 3.65Å; F15-V29 HydrophobicContact CE2-CG1 4.47Å; F15-V29 HydrophobicContact CE2-CG2 4.14Å; F15-V29 HydrophobicContact CG-CG2 4.08Å; F15-V29 HydrophobicContact CZ-CG2 3.86Å; L19-V29 HydrophobicContact CD2-CG2 4.45Å; V25-V29 HydrophobicContact CG1-CG2 4.27Å; V25-V29 WeakPolarHBondContact O-CB 3.4Å; V25-V29 VanDerWaalsContact O-CG2 3.3Å; V25-V29 WeakPolarHBondContact O-CG2 3.34Å; V25-V29 PolarHBondContact O-N 3.33Å; V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 3.46Å; V29-W32 PolarHBondContact O-N 3.35Å; V29-C33 WeakPolarHBondContact O-CB 3.21Å; V29-C33 PolarHBondContact O-N 3.39Å; V29-C33 PolarHBondContact O-SG 3.15Å
30S87.4Confident85.7Confident59 Ų5994.8 Ų94.841%0.41348%0.483SS..Hα-helixtrans-57.9-42.4178.3-63.70000112.1I26 E27 L34I26-S30 WeakPolarHBondContact O-CB 3.41Å; I26-S30 PolarHBondContact O-N 3.3Å; I26-S30 PolarHBondContact O-OG 2.74Å; E27-S30 PolarHBondContact O-N 3.29Å; S30-L34 VanDerWaalsContact O-CG 3.28Å; S30-L34 WeakPolarHBondContact O-CG 3.32Å; S30-L34 PolarHBondContact O-N 2.95Å; S30-L34 VanDerWaalsContact O-N 3.14Å
31K91Very high86.7Confident141 Ų14198.2 Ų98.261%0.61349%0.49SS*.Hα-helixtrans-64.9-48.6175.4-176.6-176.4174.2-171.30111.6E27 S28 V29 C33 L34 D35E27-K31 WeakPolarHBondContact O-CB 3.14Å; E27-K31 PolarHBondContact O-N 2.9Å; S28-K31 PolarHBondContact O-N 2.81Å; V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 3.46Å; K31-C33 VanDerWaalsContact C-N 3.28Å; K31-C33 PolarHBondContact O-N 2.79Å; K31-L34 PolarHBondContact O-N 3.24Å; K31-L34 VanDerWaalsContact O-N 3.11Å; K31-D35 PolarHBondContact O-N 3.46Å
32W90.9Very high87.5Confident37 Ų3795.6 Ų95.614%0.1447%0.469CS..Hα-helixtrans-56.6-40.6177.9179.5106.1000112.1I8 V11 I12 F15 S28 V29 R36 I43I8-W32 HydrophobicContact CD1-CH2 4.43Å; I8-W32 HydrophobicContact CG1-CH2 3.86Å; V11-W32 HydrophobicContact CB-CH2 4.3Å; V11-W32 HydrophobicContact CB-CZ2 3.77Å; V11-W32 HydrophobicContact CG1-CH2 3.92Å; V11-W32 HydrophobicContact CG1-CZ2 3.27Å; V11-W32 HydrophobicContact CG2-CZ2 4.36Å; I12-W32 HydrophobicContact CG1-CH2 4.11Å; I12-W32 HydrophobicContact CG1-CZ3 4.36Å; F15-W32 HydrophobicContact CE2-CD2 4.01Å; F15-W32 HydrophobicContact CE2-CE3 4.04Å; F15-W32 HydrophobicContact CE2-CG 4.47Å; F15-W32 HydrophobicContact CE2-CZ2 4.49Å; F15-W32 HydrophobicContact CE2-CZ3 4.29Å; S28-W32 WeakPolarHBondContact O-CB 3.23Å; S28-W32 PolarHBondContact O-N 2.94Å; V29-W32 PolarHBondContact O-N 3.35Å; W32-R36 VanDerWaalsContact CD1-NH1 3.3Å; W32-R36 VanDerWaalsContact CE2-CD 3.47Å; W32-R36 VanDerWaalsContact NE1-NH1 3.17Å; W32-R36 WeakPolarHBondContact O-CB 3.44Å; W32-R36 PolarHBondContact O-N 2.99Å; W32-I43 HydrophobicContact CZ3-CD1 4.17Å; W32-I43 HydrophobicContact CZ3-CG1 4.25Å
33C90Very high87.7Confident29 Ų2993 Ų9320%0.19645%0.453CS..Hα-helixtrans-66.6-40175.9-70.10000112.8V29 K31 R36 R37 I43V29-C33 WeakPolarHBondContact O-CB 3.21Å; V29-C33 PolarHBondContact O-N 3.39Å; V29-C33 PolarHBondContact O-SG 3.15Å; K31-C33 VanDerWaalsContact C-N 3.28Å; K31-C33 PolarHBondContact O-N 2.79Å; C33-R36 CarbonylContact O-C 3.35Å; C33-R36 PolarHBondContact O-N 3.36Å; C33-R37 PolarHBondContact O-N 2.89Å; C33-R37 VanDerWaalsContact O-N 3.1Å; C33-I43 HydrophobicContact CB-CG2 4.28Å; C33-I43 VanDerWaalsContact SG-CG2 3.6Å
34L91.3Very high87.8Confident122 Ų12290.8 Ų90.864%0.63945%0.448SS*.Hα-helixtrans-70.2-36.1177.8-71.8167.9000112.6S30 K31 R37S30-L34 VanDerWaalsContact O-CG 3.28Å; S30-L34 WeakPolarHBondContact O-CG 3.32Å; S30-L34 PolarHBondContact O-N 2.95Å; S30-L34 VanDerWaalsContact O-N 3.14Å; K31-L34 PolarHBondContact O-N 3.24Å; K31-L34 VanDerWaalsContact O-N 3.11Å; L34-R37 WeakPolarHBondContact O-CB 3.3Å; L34-R37 PolarHBondContact O-NH1 3.45Å
35D92.3Very high87.7Confident104 Ų10489.5 Ų89.556%0.55644%0.44SS*.Hα-helixtrans-65.3-41.1172.2-71.6-26.4000110.5K31 R37K31-D35 PolarHBondContact O-N 3.46Å; D35-R37 PolarHBondContact O-N 3.25Å
36R91.1Very high87.6Confident109 Ų10988.4 Ų88.441%0.41144%0.436SS..THydrogen-bonded Turntrans-89.921.3177.7-73.9176.5173.167.7-0115.6W32 C33 Q38 N39 I43W32-R36 VanDerWaalsContact CD1-NH1 3.3Å; W32-R36 VanDerWaalsContact CE2-CD 3.47Å; W32-R36 VanDerWaalsContact NE1-NH1 3.17Å; W32-R36 WeakPolarHBondContact O-CB 3.44Å; W32-R36 PolarHBondContact O-N 2.99Å; C33-R36 CarbonylContact O-C 3.35Å; C33-R36 PolarHBondContact O-N 3.36Å; R36-Q38 PolarHBondContact O-N 2.98Å; R36-N39 PolarHBondContact O-N 3.47Å; R36-I43 HydrophobicContact CB-CD1 4.03Å
37R91.4Very high87.5Confident172 Ų17286.2 Ų86.265%0.64943%0.427SS*.G310 helixtrans-52.4-13.9-17867.6179.5177.6-76.8-3117C33 L34 D35 N39 H40C33-R37 PolarHBondContact O-N 2.89Å; C33-R37 VanDerWaalsContact O-N 3.1Å; L34-R37 WeakPolarHBondContact O-CB 3.3Å; L34-R37 PolarHBondContact O-NH1 3.45Å; D35-R37 PolarHBondContact O-N 3.25Å; R37-N39 VanDerWaalsContact C-N 3.35Å; R37-H40 WeakPolarHBondContact O-CB 3.45Å; R37-H40 PolarHBondContact O-ND1 3.31Å
38Q90.3Very high87.1Confident170 Ų17083.7 Ų83.779%0.79442%0.423SS*.G310 helixtrans-62.7-44.6170.5-67.8179.1-7.500110.4R36 H40R36-Q38 PolarHBondContact O-N 2.98Å; Q38-H40 PolarHBondContact O-N 2.95Å; Q38-H40 PolarHBondContact O-ND1 3.19Å
39N88.1Confident86.3Confident72 Ų7286.3 Ų86.339%0.38542%0.424SS..G310 helixtrans-88.923.2-175.7-58.210.6000112.4I8 R36 R37 E41 I42 I43I8-N39 HydrophobicContact CD1-CB 3.39Å; R36-N39 PolarHBondContact O-N 3.47Å; R37-N39 VanDerWaalsContact C-N 3.35Å; N39-E41 PolarHBondContact O-N 3.05Å; N39-E41 VanDerWaalsContact O-N 3.14Å; N39-I42 PolarHBondContact O-N 3.32Å; N39-I43 PolarHBondContact O-N 3.08Å
40H89.5Confident85.8Confident106 Ų10687.1 Ų87.149%0.49143%0.433SS..Hα-helixtrans-56-31.3-173.368.2-68.8000114R37 Q38 V44R37-H40 WeakPolarHBondContact O-CB 3.45Å; R37-H40 PolarHBondContact O-ND1 3.31Å; Q38-H40 PolarHBondContact O-N 2.95Å; Q38-H40 PolarHBondContact O-ND1 3.19Å; H40-V44 VanDerWaalsContact O-CB 3.25Å; H40-V44 WeakPolarHBondContact O-CB 3.37Å; H40-V44 WeakPolarHBondContact O-CG2 3.48Å; H40-V44 PolarHBondContact O-N 2.99Å
41E87.6Confident85.3Confident120 Ų12088.4 Ų88.456%0.56144%0.435SS*.Hα-helixtrans-63.4-40.8175-70-166-163.500113.1N39 K45N39-E41 PolarHBondContact O-N 3.05Å; N39-E41 VanDerWaalsContact O-N 3.14Å; E41-K45 WeakPolarHBondContact O-CB 3.38Å; E41-K45 WeakPolarHBondContact O-CD 3.4Å; E41-K45 WeakPolarHBondContact O-CG 3.43Å; E41-K45 PolarHBondContact O-N 3.33Å; E41-K45 IonicContact OE2-NZ 3.75Å
42I86Confident84.5Confident67 Ų6785.8 Ų85.834%0.34443%0.427SS..Hα-helixtrans-70.4-47.3180-55.9172.6000109I8 N39 V44 K45 A46I8-I42 HydrophobicContact CD1-CB 4.49Å; I8-I42 HydrophobicContact CG2-CD1 4.14Å; I8-I42 HydrophobicContact CG2-CG2 3.92Å; N39-I42 PolarHBondContact O-N 3.32Å; I42-V44 VanDerWaalsContact C-N 3.35Å; I42-V44 PolarHBondContact O-N 3.08Å; I42-K45 PolarHBondContact O-N 2.96Å; I42-A46 PolarHBondContact O-N 2.69Å
43I86.3Confident83.6Confident12 Ų1287.8 Ų87.86%0.06245%0.445CS..Hα-helixtrans-55.7-48.7175.6-61.4170000110.5I8 I12 W32 C33 R36 N39 A46 C47I8-I43 HydrophobicContact CD1-CD1 4.25Å; I8-I43 HydrophobicContact CD1-CG1 3.84Å; I12-I43 HydrophobicContact CD1-CG1 4.31Å; W32-I43 HydrophobicContact CZ3-CD1 4.17Å; W32-I43 HydrophobicContact CZ3-CG1 4.25Å; C33-I43 HydrophobicContact CB-CG2 4.28Å; C33-I43 VanDerWaalsContact SG-CG2 3.6Å; R36-I43 HydrophobicContact CB-CD1 4.03Å; N39-I43 PolarHBondContact O-N 3.08Å; I43-A46 PolarHBondContact O-N 2.74Å; I43-C47 WeakPolarHBondContact O-CB 3.37Å; I43-C47 PolarHBondContact O-N 2.67Å; I43-C47 PolarHBondContact O-SG 2.88Å
44V85.3Confident83Confident93 Ų9390.8 Ų90.856%0.56446%0.456SS*.Hα-helixtrans-67.2-39.7179.6169.20000111.9H40 I42 S48H40-V44 VanDerWaalsContact O-CB 3.25Å; H40-V44 WeakPolarHBondContact O-CB 3.37Å; H40-V44 WeakPolarHBondContact O-CG2 3.48Å; H40-V44 PolarHBondContact O-N 2.99Å; I42-V44 VanDerWaalsContact C-N 3.35Å; I42-V44 PolarHBondContact O-N 3.08Å; V44-S48 VanDerWaalsContact O-CB 3.25Å; V44-S48 WeakPolarHBondContact O-CB 3.4Å; V44-S48 PolarHBondContact O-N 2.78Å
45K82.9Confident82.7Confident134 Ų13486.5 Ų86.558%0.58343%0.434SS*.Hα-helixtrans-59-50.4175.6-79.2163.9-176161.70111.2E41 I42 S48E41-K45 WeakPolarHBondContact O-CB 3.38Å; E41-K45 WeakPolarHBondContact O-CD 3.4Å; E41-K45 WeakPolarHBondContact O-CG 3.43Å; E41-K45 PolarHBondContact O-N 3.33Å; E41-K45 IonicContact OE2-NZ 3.75Å; I42-K45 PolarHBondContact O-N 2.96Å; K45-S48 PolarHBondContact O-N 3.27Å; K45-S48 PolarHBondContact O-OG 3.32Å
46A78.3Confident82Confident19 Ų1984.4 Ų84.416%0.15743%0.431CS..Hα-helixtrans-71-48.6-178.400000111.9I12 I42 I43 S48 K49I12-A46 HydrophobicContact CB-CB 4.32Å; I12-A46 HydrophobicContact CD1-CB 4.09Å; I12-A46 HydrophobicContact CG2-CB 3.49Å; I12-A46 VanDerWaalsContact CG2-CB 3.49Å; I42-A46 PolarHBondContact O-N 2.69Å; I43-A46 PolarHBondContact O-N 2.74Å; A46-S48 PolarHBondContact O-N 2.93Å; A46-S48 VanDerWaalsContact O-N 3.1Å; A46-K49 WeakPolarHBondContact O-CB 3.33Å; A46-K49 PolarHBondContact O-N 3.34Å; A46-K49 VanDerWaalsContact O-N 3.1Å
47C79.6Confident81.6Confident37 Ų3787.5 Ų87.525%0.2544%0.442CS..Hα-helixtrans-59.1-24.6174-67.40000113.3I43 K49 A50 L51I43-C47 WeakPolarHBondContact O-CB 3.37Å; I43-C47 PolarHBondContact O-N 2.67Å; I43-C47 PolarHBondContact O-SG 2.88Å; C47-K49 VanDerWaalsContact C-N 3.26Å; C47-K49 PolarHBondContact O-N 3.43Å; C47-A50 PolarHBondContact O-N 2.93Å; C47-L51 HydrophobicContact CB-CD1 4.06Å; C47-L51 VanDerWaalsContact O-CB 3.26Å; C47-L51 WeakPolarHBondContact O-CB 3.42Å; C47-L51 WeakPolarHBondContact O-CG 3.45Å; C47-L51 PolarHBondContact O-N 3.42Å
48S78.6Confident81.4Confident61 Ų6181 Ų8143%0.42742%0.42SS..Hα-helixtrans-61.9-32.317776.80000113V44 K45 A46 L52V44-S48 VanDerWaalsContact O-CB 3.25Å; V44-S48 WeakPolarHBondContact O-CB 3.4Å; V44-S48 PolarHBondContact O-N 2.78Å; K45-S48 PolarHBondContact O-N 3.27Å; K45-S48 PolarHBondContact O-OG 3.32Å; A46-S48 PolarHBondContact O-N 2.93Å; A46-S48 VanDerWaalsContact O-N 3.1Å; S48-L52 VanDerWaalsContact O-CG 3.29Å; S48-L52 WeakPolarHBondContact O-CG 3.38Å; S48-L52 PolarHBondContact O-N 3.43Å
49K71Confident81.3Confident129 Ų12973.1 Ų73.156%0.56138%0.383SS*.Hα-helixtrans-62.8-60.1173.3-61.6179.9-176.81730110.7A46 C47 L51 L52A46-K49 WeakPolarHBondContact O-CB 3.33Å; A46-K49 PolarHBondContact O-N 3.34Å; A46-K49 VanDerWaalsContact O-N 3.1Å; C47-K49 VanDerWaalsContact C-N 3.26Å; C47-K49 PolarHBondContact O-N 3.43Å; K49-L51 VanDerWaalsContact C-N 3.27Å; K49-L51 PolarHBondContact O-N 2.94Å; K49-L52 PolarHBondContact O-N 3.04Å
50A73.1Confident81.2Confident36 Ų3675.3 Ų75.330%0.29839%0.39SS..Hα-helixtrans-63.7-26.7-17700000114C47C47-A50 PolarHBondContact O-N 2.93Å
51L76.3Confident81.1Confident87 Ų8773.3 Ų73.346%0.45538%0.382SS..Hα-helixtrans-88.2-15.2-179.9-65.3174.1000114.2C47 K49 H54 L55 I58C47-L51 HydrophobicContact CB-CD1 4.06Å; C47-L51 VanDerWaalsContact O-CB 3.26Å; C47-L51 WeakPolarHBondContact O-CB 3.42Å; C47-L51 WeakPolarHBondContact O-CG 3.45Å; C47-L51 PolarHBondContact O-N 3.42Å; K49-L51 VanDerWaalsContact C-N 3.27Å; K49-L51 PolarHBondContact O-N 2.94Å; L51-H54 CarbonylContact O-C 3.58Å; L51-H54 PolarHBondContact O-N 3.15Å; L51-L55 PolarHBondContact O-N 2.85Å; L51-I58 HydrophobicContact CB-CD1 4.27Å; L51-I58 HydrophobicContact CD2-CD1 3.86Å
52L74Confident81.4Confident85 Ų8571.5 Ų71.545%0.44537%0.37SS..G310 helixtrans-55.6-48.5179.4-92.1162.6000113.3S48 K49 H54 L55 L85S48-L52 VanDerWaalsContact O-CG 3.29Å; S48-L52 WeakPolarHBondContact O-CG 3.38Å; S48-L52 PolarHBondContact O-N 3.43Å; K49-L52 PolarHBondContact O-N 3.04Å; L52-H54 PolarHBondContact O-N 3.01Å; L52-L55 HydrophobicContact CD2-CD2 4.49Å; L52-L55 WeakPolarHBondContact O-CB 3.47Å; L52-L55 PolarHBondContact O-N 2.93Å; L52-L55 VanDerWaalsContact O-N 3.13Å; L52-L85 HydrophobicContact CD2-CD1 4.19Å; L52-L85 HydrophobicContact CD2-CD2 3.99Å
53P73.1Confident81.6Confident80 Ų8071.5 Ų71.552%0.51937%0.368SS..G310 helixtrans-62.6-9.4175.9-23.334.9000114.7L97P53-L97 HydrophobicContact CB-CD2 4.34Å; P53-L97 HydrophobicContact CG-CD2 4.01Å
54H77.8Confident81.8Confident92 Ų9276.8 Ų76.843%0.42639%0.393SS..G310 helixtrans-116.3-1.7-178.8-62.6-13.5000112.8L51 L52 A56 R57 I58L51-H54 CarbonylContact O-C 3.58Å; L51-H54 PolarHBondContact O-N 3.15Å; L52-H54 PolarHBondContact O-N 3.01Å; H54-A56 PolarHBondContact O-N 3.29Å; H54-R57 WeakPolarHBondContact O-CB 3.38Å; H54-R57 PolarHBondContact O-N 3.02Å; H54-I58 HydrophobicContact CB-CD1 3.84Å; H54-I58 HydrophobicContact CB-CG1 4.37Å; H54-I58 WeakPolarHBondContact O-CG1 3.48Å; H54-I58 PolarHBondContact O-N 3.27Å
55L83.3Confident82.1Confident32 Ų3281.3 Ų81.317%0.16840%0.4CS..Hα-helixtrans-55.3-45.6-171.8-17664.7000112.6L51 L52 R57 I58 V59 L85L51-L55 PolarHBondContact O-N 2.85Å; L52-L55 HydrophobicContact CD2-CD2 4.49Å; L52-L55 WeakPolarHBondContact O-CB 3.47Å; L52-L55 PolarHBondContact O-N 2.93Å; L52-L55 VanDerWaalsContact O-N 3.13Å; L55-R57 VanDerWaalsContact C-N 3.31Å; L55-R57 PolarHBondContact O-N 3.29Å; L55-I58 PolarHBondContact O-N 3Å; L55-V59 HydrophobicContact CD1-CG2 3.9Å; L55-V59 HydrophobicContact CG-CG2 4.12Å; L55-V59 WeakPolarHBondContact O-CB 3.41Å; L55-V59 VanDerWaalsContact O-CG2 3.28Å; L55-V59 WeakPolarHBondContact O-CG2 3.12Å; L55-V59 PolarHBondContact O-N 3.27Å; L55-L85 HydrophobicContact CD2-CD1 4.25Å
56A78.9Confident82.5Confident60 Ų6079.3 Ų79.350%0.49640%0.396SS..Hα-helixtrans-60.8-37.6178.600000113H54 K60H54-A56 PolarHBondContact O-N 3.29Å; A56-K60 WeakPolarHBondContact O-CB 3.22Å; A56-K60 PolarHBondContact O-N 2.7Å
57R83.4Confident83.1Confident174 Ų17481 Ų8166%0.65740%0.404SS*.Hα-helixtrans-70-41.2175.4-170.9-174.5-66.4161.3-0.4111H54 L55 I61H54-R57 WeakPolarHBondContact O-CB 3.38Å; H54-R57 PolarHBondContact O-N 3.02Å; L55-R57 VanDerWaalsContact C-N 3.31Å; L55-R57 PolarHBondContact O-N 3.29Å; R57-I61 HydrophobicContact CG-CD1 4.32Å; R57-I61 WeakPolarHBondContact O-CG1 3.31Å; R57-I61 PolarHBondContact O-N 2.96Å; R57-I61 VanDerWaalsContact O-N 3.11Å
58I85.8Confident83.6Confident36 Ų3683.3 Ų83.319%0.18541%0.41CS..Hα-helixtrans-66.2-49.4179.2-66.9164.5000110.9L51 H54 L55 K60 I61 W62L51-I58 HydrophobicContact CB-CD1 4.27Å; L51-I58 HydrophobicContact CD2-CD1 3.86Å; H54-I58 HydrophobicContact CB-CD1 3.84Å; H54-I58 HydrophobicContact CB-CG1 4.37Å; H54-I58 WeakPolarHBondContact O-CG1 3.48Å; H54-I58 PolarHBondContact O-N 3.27Å; L55-I58 PolarHBondContact O-N 3Å; I58-K60 VanDerWaalsContact C-N 3.3Å; I58-K60 PolarHBondContact O-N 3.04Å; I58-I61 PolarHBondContact O-N 3.23Å; I58-I61 VanDerWaalsContact O-N 3.13Å; I58-W62 HydrophobicContact CG2-CD2 3.77Å; I58-W62 HydrophobicContact CG2-CE3 4.12Å; I58-W62 HydrophobicContact CG2-CG 4.44Å; I58-W62 HydrophobicContact CG2-CH2 3.78Å; I58-W62 HydrophobicContact CG2-CZ2 3.37Å; I58-W62 HydrophobicContact CG2-CZ3 4.13Å; I58-W62 PolarHBondContact O-N 2.91Å
59V88.3Confident84.2Confident3 Ų384.4 Ų84.42%0.01841%0.41CS..Hα-helixtrans-59.9-39.3177.5171.50000111.2L55 W62 E63 V73 L76 R77L55-V59 HydrophobicContact CD1-CG2 3.9Å; L55-V59 HydrophobicContact CG-CG2 4.12Å; L55-V59 WeakPolarHBondContact O-CB 3.41Å; L55-V59 VanDerWaalsContact O-CG2 3.28Å; L55-V59 WeakPolarHBondContact O-CG2 3.12Å; L55-V59 PolarHBondContact O-N 3.27Å; V59-W62 HydrophobicContact CG2-CE3 4.48Å; V59-W62 PolarHBondContact O-N 3.4Å; V59-E63 PolarHBondContact O-N 2.89Å; V59-V73 HydrophobicContact CG1-CG1 4.27Å; V59-L76 HydrophobicContact CG1-CB 4.39Å; V59-L76 HydrophobicContact CG2-CB 3.89Å; V59-R77 HydrophobicContact CG1-CB 4.43Å
60K86.8Confident85.1Confident119 Ų11984.8 Ų84.852%0.51741%0.412SS..Hα-helixtrans-61.4-46.9172.9-179.4175.3172.1178.60112.4A56 I58 W62 E63 E64A56-K60 WeakPolarHBondContact O-CB 3.22Å; A56-K60 PolarHBondContact O-N 2.7Å; I58-K60 VanDerWaalsContact C-N 3.3Å; I58-K60 PolarHBondContact O-N 3.04Å; K60-W62 VanDerWaalsContact C-N 3.29Å; K60-W62 PolarHBondContact O-N 3.31Å; K60-E63 PolarHBondContact O-N 3.13Å; K60-E64 WeakPolarHBondContact CE-OE1 3.28Å; K60-E64 IonicContact NZ-OE1 3.62Å; K60-E64 WeakPolarHBondContact O-CG 3.49Å; K60-E64 PolarHBondContact O-N 3.5Å
61I87.3Confident85.8Confident63 Ų6389.5 Ų89.532%0.32343%0.428SS..Hα-helixtrans-62.8-36.9176.5-67.5164000111.1R57 I58 R65R57-I61 HydrophobicContact CG-CD1 4.32Å; R57-I61 WeakPolarHBondContact O-CG1 3.31Å; R57-I61 PolarHBondContact O-N 2.96Å; R57-I61 VanDerWaalsContact O-N 3.11Å; I58-I61 PolarHBondContact O-N 3.23Å; I58-I61 VanDerWaalsContact O-N 3.13Å; I61-R65 WeakPolarHBondContact O-CB 3.37Å; I61-R65 WeakPolarHBondContact O-CG 3.41Å; I61-R65 PolarHBondContact O-N 2.87Å
62W92.7Very high86.5Confident82 Ų8288.2 Ų88.231%0.31142%0.422SS..Hα-helixtrans-68.6-34.2176-68.4-9.9000113.2I58 V59 K60 N66 V67 F68 L76I58-W62 HydrophobicContact CG2-CD2 3.77Å; I58-W62 HydrophobicContact CG2-CE3 4.12Å; I58-W62 HydrophobicContact CG2-CG 4.44Å; I58-W62 HydrophobicContact CG2-CH2 3.78Å; I58-W62 HydrophobicContact CG2-CZ2 3.37Å; I58-W62 HydrophobicContact CG2-CZ3 4.13Å; I58-W62 PolarHBondContact O-N 2.91Å; V59-W62 HydrophobicContact CG2-CE3 4.48Å; V59-W62 PolarHBondContact O-N 3.4Å; K60-W62 VanDerWaalsContact C-N 3.29Å; K60-W62 PolarHBondContact O-N 3.31Å; W62-N66 WeakPolarHBondContact O-CA 3.13Å; W62-N66 PolarHBondContact O-N 2.95Å; W62-V67 HydrophobicContact CB-CB 4.18Å; W62-V67 HydrophobicContact CB-CG2 4.38Å; W62-V67 HydrophobicContact CG-CB 4.29Å; W62-V67 HydrophobicContact CG-CG2 4.42Å; W62-V67 PolarHBondContact O-N 3.2Å; W62-F68 HydrophobicContact CB-CD2 4.26Å; W62-F68 AromaticContact CD2-CD2 3.81Å; W62-F68 HydrophobicContact CD2-CD2 3.81Å; W62-F68 AromaticContact CD2-CE2 3.6Å; W62-F68 HydrophobicContact CD2-CE2 3.6Å; W62-F68 AromaticContact CE2-CE2 3.88Å; W62-F68 AromaticContact CE3-CD2 3.63Å; W62-F68 HydrophobicContact CE3-CD2 3.63Å; W62-F68 AromaticContact CE3-CE2 3.53Å; W62-F68 HydrophobicContact CE3-CE2 3.53Å; W62-F68 HydrophobicContact CG-CD2 4.12Å; W62-F68 HydrophobicContact CG-CE2 4.21Å; W62-F68 HydrophobicContact CH2-CE2 4.03Å; W62-F68 HydrophobicContact CZ2-CE2 4.09Å; W62-F68 HydrophobicContact CZ3-CD2 4.21Å; W62-F68 AromaticContact CZ3-CE2 3.75Å; W62-F68 HydrophobicContact CZ3-CE2 3.75Å; W62-L76 HydrophobicContact CE3-CD1 4.25Å; W62-L76 HydrophobicContact CZ3-CD1 4Å
63E90.4Very high87.1Confident68 Ų6884.3 Ų84.332%0.31840%0.401SS..Hα-helixtrans-67.2-52.8171.6-173.4176.5-124.300111.5V59 K60 R65 N66 V73 R77V59-E63 PolarHBondContact O-N 2.89Å; K60-E63 PolarHBondContact O-N 3.13Å; E63-R65 PolarHBondContact O-N 3.11Å; E63-N66 PolarHBondContact O-N 3.37Å; E63-N66 PolarHBondContact O-ND2 2.88Å; E63-V73 HydrophobicContact CB-CG1 3.78Å; E63-V73 HydrophobicContact CG-CG1 4.05Å; E63-R77 VanDerWaalsContact CD-NH2 3.25Å; E63-R77 IonicContact OE1-CZ 3.05Å; E63-R77 IonicContact OE1-NH1 3.27Å; E63-R77 PolarHBondContact OE1-NH1 3.17Å; E63-R77 IonicContact OE1-NH2 3.32Å; E63-R77 PolarHBondContact OE1-NH2 2.96Å; E63-R77 IonicContact OE2-CZ 2.81Å; E63-R77 IonicContact OE2-NH1 2.73Å; E63-R77 IonicContact OE2-NH2 3.34Å; E63-R77 PolarHBondContact OE2-NH2 3Å
64E91.2Very high87.8Confident123 Ų12384.2 Ų84.258%0.57540%0.396SS*.Hα-helixtrans-56.6-40.1-179.6-73173.4-178.100111.6K60 N66K60-E64 WeakPolarHBondContact CE-OE1 3.28Å; K60-E64 IonicContact NZ-OE1 3.62Å; K60-E64 WeakPolarHBondContact O-CG 3.49Å; K60-E64 PolarHBondContact O-N 3.5Å; E64-N66 PolarHBondContact O-ND2 3.29Å
65R92.4Very high88.2Confident188 Ų18885.6 Ų85.671%0.70940%0.403SS*.THydrogen-bonded Turntrans-88.6-2.4178.3-63.6178.9-178-170.90.9114.4I61 E63 V67I61-R65 WeakPolarHBondContact O-CB 3.37Å; I61-R65 WeakPolarHBondContact O-CG 3.41Å; I61-R65 PolarHBondContact O-N 2.87Å; E63-R65 PolarHBondContact O-N 3.11Å; R65-V67 VanDerWaalsContact C-N 3.3Å; R65-V67 HydrophobicContact CB-CG2 3.81Å; R65-V67 PolarHBondContact O-N 3.21Å
66N89.3Confident88.3Confident92 Ų9285.8 Ų85.849%0.49240%0.404SS..THydrogen-bonded Turntrans49.445.7-175.6-64.2-104.2000113.1W62 E63 E64W62-N66 WeakPolarHBondContact O-CA 3.13Å; W62-N66 PolarHBondContact O-N 2.95Å; E63-N66 PolarHBondContact O-N 3.37Å; E63-N66 PolarHBondContact O-ND2 2.88Å; E64-N66 PolarHBondContact O-ND2 3.29Å
67V91.6Very high88.4Confident54 Ų5486.9 Ų86.933%0.32740%0.395SS..  trans-69.6-37-178.4-177.80000111.7W62 R65W62-V67 HydrophobicContact CB-CB 4.18Å; W62-V67 HydrophobicContact CB-CG2 4.38Å; W62-V67 HydrophobicContact CG-CB 4.29Å; W62-V67 HydrophobicContact CG-CG2 4.42Å; W62-V67 PolarHBondContact O-N 3.2Å; R65-V67 VanDerWaalsContact C-N 3.3Å; R65-V67 HydrophobicContact CB-CG2 3.81Å; R65-V67 PolarHBondContact O-N 3.21Å
68F91Very high88.3Confident86 Ų8682.7 Ų82.738%0.37739%0.389SS..SBendtrans-122.5164.1-180-66.2-72000111W62 L72 V73W62-F68 HydrophobicContact CB-CD2 4.26Å; W62-F68 AromaticContact CD2-CD2 3.81Å; W62-F68 HydrophobicContact CD2-CD2 3.81Å; W62-F68 AromaticContact CD2-CE2 3.6Å; W62-F68 HydrophobicContact CD2-CE2 3.6Å; W62-F68 AromaticContact CE2-CE2 3.88Å; W62-F68 AromaticContact CE3-CD2 3.63Å; W62-F68 HydrophobicContact CE3-CD2 3.63Å; W62-F68 AromaticContact CE3-CE2 3.53Å; W62-F68 HydrophobicContact CE3-CE2 3.53Å; W62-F68 HydrophobicContact CG-CD2 4.12Å; W62-F68 HydrophobicContact CG-CE2 4.21Å; W62-F68 HydrophobicContact CH2-CE2 4.03Å; W62-F68 HydrophobicContact CZ2-CE2 4.09Å; W62-F68 HydrophobicContact CZ3-CD2 4.21Å; W62-F68 AromaticContact CZ3-CE2 3.75Å; W62-F68 HydrophobicContact CZ3-CE2 3.75Å; F68-L72 HydrophobicContact CB-CD2 4.28Å; F68-L72 HydrophobicContact CD1-CD2 3.95Å; F68-L72 HydrophobicContact CG-CD2 4.21Å; F68-V73 HydrophobicContact CB-CG2 3.93Å
69N90.7Very high87.5Confident83 Ų8385.3 Ų85.344%0.44440%0.403SS..  trans-66.4149.7175.262-45.6000111.2E71 L72 V73N69-E71 PolarHBondContact ND2-OE2 3.28Å; N69-E71 PolarHBondContact O-N 3.36Å; N69-E71 VanDerWaalsContact O-N 3.14Å; N69-L72 PolarHBondContact O-N 3.11Å; N69-L72 VanDerWaalsContact OD1-CB 3.25Å; N69-L72 WeakPolarHBondContact OD1-CB 3.23Å; N69-V73 WeakPolarHBondContact O-CG2 3.09Å; N69-V73 PolarHBondContact O-N 2.6Å
70K88.9Confident86.5Confident138 Ų13886.2 Ų86.260%0.641%0.409SS*.Hα-helixtrans-63.6-21.8-175.2-63.1-170.2177.1-169.70113.7N74K70-N74 VanDerWaalsContact O-CB 3.28Å; K70-N74 WeakPolarHBondContact O-CB 3.49Å; K70-N74 PolarHBondContact O-N 2.87Å; K70-N74 PolarHBondContact O-ND2 3.29Å
71E89.3Confident85.2Confident135 Ų13582.8 Ų82.863%0.63140%0.4SS*.Hα-helixtrans-68.6-55.1173-61.113515500110.2N69 V73 N74 E75N69-E71 PolarHBondContact ND2-OE2 3.28Å; N69-E71 PolarHBondContact O-N 3.36Å; N69-E71 VanDerWaalsContact O-N 3.14Å; E71-V73 VanDerWaalsContact C-N 3.32Å; E71-V73 PolarHBondContact O-N 2.92Å; E71-N74 CarbonylContact O-C 3.57Å; E71-N74 WeakPolarHBondContact O-CA 3.4Å; E71-N74 PolarHBondContact O-N 3.02Å; E71-E75 WeakPolarHBondContact O-CG 3.08Å; E71-E75 PolarHBondContact O-N 2.83Å
72L89.2Confident83.5Confident60 Ų6086.1 Ų86.131%0.31442%0.419SS..Hα-helixtrans-62-37.8177-17862000112.3F68 N69 N74 E75 L76F68-L72 HydrophobicContact CB-CD2 4.28Å; F68-L72 HydrophobicContact CD1-CD2 3.95Å; F68-L72 HydrophobicContact CG-CD2 4.21Å; N69-L72 PolarHBondContact O-N 3.11Å; N69-L72 VanDerWaalsContact OD1-CB 3.25Å; N69-L72 WeakPolarHBondContact OD1-CB 3.23Å; L72-N74 VanDerWaalsContact C-N 3.28Å; L72-N74 PolarHBondContact O-N 2.93Å; L72-E75 PolarHBondContact O-N 2.91Å; L72-L76 HydrophobicContact CD1-CD1 4.25Å; L72-L76 HydrophobicContact CD1-CG 4.11Å; L72-L76 HydrophobicContact CG-CD1 3.97Å; L72-L76 HydrophobicContact CG-CG 4.28Å; L72-L76 VanDerWaalsContact O-CB 3.26Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 VanDerWaalsContact O-CG 3.27Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.19Å
73V88.6Confident81.6Confident3 Ų389.3 Ų89.32%0.01844%0.437CS..Hα-helixtrans-63-35.4173.7171.60000111.5V59 E63 F68 N69 E71 R77V59-V73 HydrophobicContact CG1-CG1 4.27Å; E63-V73 HydrophobicContact CB-CG1 3.78Å; E63-V73 HydrophobicContact CG-CG1 4.05Å; F68-V73 HydrophobicContact CB-CG2 3.93Å; N69-V73 WeakPolarHBondContact O-CG2 3.09Å; N69-V73 PolarHBondContact O-N 2.6Å; E71-V73 VanDerWaalsContact C-N 3.32Å; E71-V73 PolarHBondContact O-N 2.92Å; V73-R77 WeakPolarHBondContact O-CB 3.45Å; V73-R77 PolarHBondContact O-N 2.97Å
74N86.1Confident79.6Confident78 Ų7890.5 Ų90.542%0.41745%0.445SS..Hα-helixtrans-76.8-35.1175.7-76.7-30.8000112.8K70 E71 L72 R77 V78K70-N74 VanDerWaalsContact O-CB 3.28Å; K70-N74 WeakPolarHBondContact O-CB 3.49Å; K70-N74 PolarHBondContact O-N 2.87Å; K70-N74 PolarHBondContact O-ND2 3.29Å; E71-N74 CarbonylContact O-C 3.57Å; E71-N74 WeakPolarHBondContact O-CA 3.4Å; E71-N74 PolarHBondContact O-N 3.02Å; L72-N74 VanDerWaalsContact C-N 3.28Å; L72-N74 PolarHBondContact O-N 2.93Å; N74-R77 PolarHBondContact O-N 3.14Å; N74-R77 PolarHBondContact OD1-NH1 3.01Å; N74-V78 WeakPolarHBondContact O-CG2 3.35Å; N74-V78 PolarHBondContact O-N 2.93Å
75E86.5Confident77.6Confident120 Ų12087 Ų8756%0.56143%0.43SS*.Hα-helixtrans-64.4-49.5171.8-71.1171.5179.900110.8E71 L72 R77 V78 L79E71-E75 WeakPolarHBondContact O-CG 3.08Å; E71-E75 PolarHBondContact O-N 2.83Å; L72-E75 PolarHBondContact O-N 2.91Å; E75-R77 VanDerWaalsContact C-N 3.27Å; E75-R77 PolarHBondContact O-N 3Å; E75-V78 PolarHBondContact O-N 3.32Å; E75-V78 VanDerWaalsContact O-N 3.15Å; E75-L79 WeakPolarHBondContact O-CG 3.16Å; E75-L79 PolarHBondContact O-N 3.11Å
76L85.1Confident75.1Confident36 Ų3680.2 Ų80.219%0.18841%0.408CS..Hα-helixtrans-61.7-33.6173.4-71.5173.5000112.3V59 W62 L72 S80V59-L76 HydrophobicContact CG1-CB 4.39Å; V59-L76 HydrophobicContact CG2-CB 3.89Å; W62-L76 HydrophobicContact CE3-CD1 4.25Å; W62-L76 HydrophobicContact CZ3-CD1 4Å; L72-L76 HydrophobicContact CD1-CD1 4.25Å; L72-L76 HydrophobicContact CD1-CG 4.11Å; L72-L76 HydrophobicContact CG-CD1 3.97Å; L72-L76 HydrophobicContact CG-CG 4.28Å; L72-L76 VanDerWaalsContact O-CB 3.26Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 VanDerWaalsContact O-CG 3.27Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.19Å; L76-S80 VanDerWaalsContact O-CB 3.23Å; L76-S80 WeakPolarHBondContact O-CB 3.39Å; L76-S80 PolarHBondContact O-N 3.32Å; L76-S80 PolarHBondContact O-OG 3.42Å
77R82.2Confident73.1Confident83 Ų8383.7 Ų83.731%0.31342%0.421SS..Hα-helixtrans-66.3-43.9171.5166.5177.7-78134.2-3.7112.2V59 E63 V73 N74 E75 L79 S80 S81V59-R77 HydrophobicContact CG1-CB 4.43Å; E63-R77 VanDerWaalsContact CD-NH2 3.25Å; E63-R77 IonicContact OE1-CZ 3.05Å; E63-R77 IonicContact OE1-NH1 3.27Å; E63-R77 PolarHBondContact OE1-NH1 3.17Å; E63-R77 IonicContact OE1-NH2 3.32Å; E63-R77 PolarHBondContact OE1-NH2 2.96Å; E63-R77 IonicContact OE2-CZ 2.81Å; E63-R77 IonicContact OE2-NH1 2.73Å; E63-R77 IonicContact OE2-NH2 3.34Å; E63-R77 PolarHBondContact OE2-NH2 3Å; V73-R77 WeakPolarHBondContact O-CB 3.45Å; V73-R77 PolarHBondContact O-N 2.97Å; N74-R77 PolarHBondContact O-N 3.14Å; N74-R77 PolarHBondContact OD1-NH1 3.01Å; E75-R77 VanDerWaalsContact C-N 3.27Å; E75-R77 PolarHBondContact O-N 3Å; R77-L79 VanDerWaalsContact C-N 3.28Å; R77-L79 PolarHBondContact O-N 3.37Å; R77-S80 CarbonylContact O-C 3.56Å; R77-S80 PolarHBondContact O-N 2.97Å; R77-S80 PolarHBondContact O-OG 3.36Å; R77-S81 WeakPolarHBondContact O-CB 3.35Å; R77-S81 PolarHBondContact O-N 3.42Å; R77-S81 PolarHBondContact O-OG 3.17Å
78V80.1Confident70.8Confident86 Ų8689.1 Ų89.152%0.52144%0.436SS..Hα-helixtrans-64.2-37177.2165.70000110.6N74 E75 L84N74-V78 WeakPolarHBondContact O-CG2 3.35Å; N74-V78 PolarHBondContact O-N 2.93Å; E75-V78 PolarHBondContact O-N 3.32Å; E75-V78 VanDerWaalsContact O-N 3.15Å; V78-L84 HydrophobicContact CG1-CD1 3.85Å
79L70.7Confident68.4Low92 Ų9287 Ų8748%0.48243%0.432SS..Hα-helixtrans-67-44.1170-66170.7000111.8E75 R77 S81 L84 L85E75-L79 WeakPolarHBondContact O-CG 3.16Å; E75-L79 PolarHBondContact O-N 3.11Å; R77-L79 VanDerWaalsContact C-N 3.28Å; R77-L79 PolarHBondContact O-N 3.37Å; L79-S81 PolarHBondContact O-N 3.04Å; L79-L84 HydrophobicContact CD2-CD1 4.5Å; L79-L85 VanDerWaalsContact O-CG 3.26Å; L79-L85 WeakPolarHBondContact O-CG 3.28Å
80S66.5Low66Low21 Ų2184 Ų8415%0.14742%0.419CS..THydrogen-bonded Turntrans-79.29.7178.388.50000114.4L76 R77L76-S80 VanDerWaalsContact O-CB 3.23Å; L76-S80 WeakPolarHBondContact O-CB 3.39Å; L76-S80 PolarHBondContact O-N 3.32Å; L76-S80 PolarHBondContact O-OG 3.42Å; R77-S80 CarbonylContact O-C 3.56Å; R77-S80 PolarHBondContact O-N 2.97Å; R77-S80 PolarHBondContact O-OG 3.36Å
81S60Low63.8Low48 Ų4880.3 Ų80.334%0.33641%0.41SS..SBendtrans-91.5151.6179.3-680000110.7R77 L79 E83 L84R77-S81 WeakPolarHBondContact O-CB 3.35Å; R77-S81 PolarHBondContact O-N 3.42Å; R77-S81 PolarHBondContact O-OG 3.17Å; L79-S81 PolarHBondContact O-N 3.04Å; S81-E83 PolarHBondContact O-N 3.3Å; S81-L84 PolarHBondContact O-N 2.95Å
82D50.6Low61.6Low133 Ų13374.9 Ų74.971%0.71139%0.386SS*.THydrogen-bonded Turntrans-63.129-179-73.1-72.5000116.4N86D82-N86 VanDerWaalsContact C-CG 3.49Å; D82-N86 VanDerWaalsContact C-ND2 3.31Å; D82-N86 VanDerWaalsContact CA-CG 3.5Å; D82-N86 WeakPolarHBondContact CA-ND2 3.41Å; D82-N86 WeakPolarHBondContact CB-ND2 3.34Å; D82-N86 WeakPolarHBondContact O-CB 3.28Å; D82-N86 PolarHBondContact O-ND2 3.19Å; D82-N86 PolarHBondContact OD1-ND2 3.17Å
83E52.3Low59.3Low149 Ų14973.9 Ų73.970%0.69639%0.387SS*.THydrogen-bonded Turntrans-127.3-55.1176.7-131.4168.7-165.400109.9S81 N86 E87S81-E83 PolarHBondContact O-N 3.3Å; E83-N86 PolarHBondContact O-N 3.23Å; E83-E87 WeakPolarHBondContact O-CG 3.45Å; E83-E87 PolarHBondContact O-N 3.48Å
84L48.3Very low56.8Low93 Ų9376.6 Ų76.649%0.48741%0.406SS..THydrogen-bonded Turntrans-84.1-36.7-176.1-68.6179.8000114.8V78 L79 S81 N86V78-L84 HydrophobicContact CG1-CD1 3.85Å; L79-L84 HydrophobicContact CD2-CD1 4.5Å; S81-L84 PolarHBondContact O-N 2.95Å; L84-N86 VanDerWaalsContact C-N 3.27Å
85L49.2Very low54.8Low48 Ų4875.5 Ų75.525%0.25140%0.4SS..THydrogen-bonded Turntrans-76.4-17.7164.5-84.8176.8000111.5L52 L55 L79 S89 A90L52-L85 HydrophobicContact CD2-CD1 4.19Å; L52-L85 HydrophobicContact CD2-CD2 3.99Å; L55-L85 HydrophobicContact CD2-CD1 4.25Å; L79-L85 VanDerWaalsContact O-CG 3.26Å; L79-L85 WeakPolarHBondContact O-CG 3.28Å; L85-S89 CarbonylContact O-C 3.43Å; L85-S89 WeakPolarHBondContact O-CA 3.27Å; L85-S89 WeakPolarHBondContact O-CB 3.49Å; L85-S89 PolarHBondContact O-N 3.01Å; L85-A90 PolarHBondContact O-N 3.34Å
86N41.2Very low52.5Low46 Ų4671.4 Ų71.425%0.24639%0.386CS..Hα-helixtrans-83.9-40.4179.4-747.9000112.9D82 E83 L84 R88 A90D82-N86 VanDerWaalsContact C-CG 3.49Å; D82-N86 VanDerWaalsContact C-ND2 3.31Å; D82-N86 VanDerWaalsContact CA-CG 3.5Å; D82-N86 WeakPolarHBondContact CA-ND2 3.41Å; D82-N86 WeakPolarHBondContact CB-ND2 3.34Å; D82-N86 WeakPolarHBondContact O-CB 3.28Å; D82-N86 PolarHBondContact O-ND2 3.19Å; D82-N86 PolarHBondContact OD1-ND2 3.17Å; E83-N86 PolarHBondContact O-N 3.23Å; L84-N86 VanDerWaalsContact C-N 3.27Å; N86-R88 PolarHBondContact O-N 2.73Å; N86-R88 VanDerWaalsContact O-N 3.15Å; N86-A90 HydrophobicContact CB-CB 3.43Å; N86-A90 VanDerWaalsContact CB-CB 3.43Å; N86-A90 VanDerWaalsContact CG-CB 3.45Å; N86-A90 WeakPolarHBondContact O-CA 3.17Å; N86-A90 VanDerWaalsContact O-CB 3.26Å; N86-A90 WeakPolarHBondContact O-CB 3.26Å; N86-A90 PolarHBondContact O-N 2.85Å
87E46.1Very low50.4Low165 Ų16575.2 Ų75.277%0.77141%0.406SS*.Hα-helixtrans-68.3-9.4172.2-71.8-170.1162.700114E83E83-E87 WeakPolarHBondContact O-CG 3.45Å; E83-E87 PolarHBondContact O-N 3.48Å
88R43.2Very low48.3Very low168 Ų16874.9 Ų74.963%0.63442%0.416SS*.Hα-helixtrans-124.8-6.5177.5-104.7-178171.8-175.2-4.4116.3N86N86-R88 PolarHBondContact O-N 2.73Å; N86-R88 VanDerWaalsContact O-N 3.15Å
89S41Very low46.2Very low42 Ų4276.2 Ų76.229%0.29442%0.421SS..Hα-helixtrans-151.71.7179.8-48.60000113.6L85 A93 S94L85-S89 CarbonylContact O-C 3.43Å; L85-S89 WeakPolarHBondContact O-CA 3.27Å; L85-S89 WeakPolarHBondContact O-CB 3.49Å; L85-S89 PolarHBondContact O-N 3.01Å; S89-A93 CarbonylContact O-C 3.57Å; S89-A93 VanDerWaalsContact O-CA 3.25Å; S89-A93 WeakPolarHBondContact O-CA 3.21Å; S89-A93 WeakPolarHBondContact O-CB 3.29Å; S89-A93 PolarHBondContact O-N 2.97Å; S89-S94 PolarHBondContact O-N 3.01Å
90A40.8Very low44.5Very low21 Ų2179.2 Ų79.217%0.17444%0.436CS..THydrogen-bonded Turntrans-98.1-13.2168.700000114.6L85 N86 V92 S94L85-A90 PolarHBondContact O-N 3.34Å; N86-A90 HydrophobicContact CB-CB 3.43Å; N86-A90 VanDerWaalsContact CB-CB 3.43Å; N86-A90 VanDerWaalsContact CG-CB 3.45Å; N86-A90 WeakPolarHBondContact O-CA 3.17Å; N86-A90 VanDerWaalsContact O-CB 3.26Å; N86-A90 WeakPolarHBondContact O-CB 3.26Å; N86-A90 PolarHBondContact O-N 2.85Å; A90-V92 PolarHBondContact O-N 3.37Å; A90-S94 VanDerWaalsContact CA-CB 3.44Å
91S42.2Very low42.8Very low59 Ų5981.1 Ų81.141%0.41346%0.459SS..THydrogen-bonded Turntrans-62.7-15.7160.449.30000112.8
92V43.2Very low41.4Very low21 Ų2188 Ų8813%0.12749%0.486CS..THydrogen-bonded Turntrans-139.1-64.5-166.2166.70000112.6A90 L95 A96 E203 I207A90-V92 PolarHBondContact O-N 3.37Å; V92-L95 PolarHBondContact O-N 3.21Å; V92-A96 PolarHBondContact O-N 2.98Å; V92-E203 HydrophobicContact CB-CB 4.2Å; V92-E203 HydrophobicContact CG1-CB 3.72Å; V92-E203 HydrophobicContact CG1-CG 4.18Å; V92-E203 HydrophobicContact CG2-CB 3.42Å; V92-E203 VanDerWaalsContact CG2-CB 3.42Å; V92-E203 HydrophobicContact CG2-CG 4.17Å; V92-E203 WeakPolarHBondContact CG2-OE2 3.35Å; V92-I207 HydrophobicContact CG1-CD1 4.43Å
93A41.7Very low40.5Very low40 Ų4086.8 Ų86.833%0.33149%0.487SS..THydrogen-bonded Turntrans-79.9-37.7-174.400000113.4S89 L95 A96 L97S89-A93 CarbonylContact O-C 3.57Å; S89-A93 VanDerWaalsContact O-CA 3.25Å; S89-A93 WeakPolarHBondContact O-CA 3.21Å; S89-A93 WeakPolarHBondContact O-CB 3.29Å; S89-A93 PolarHBondContact O-N 2.97Å; A93-L95 PolarHBondContact O-N 3.45Å; A93-L95 VanDerWaalsContact O-N 3.12Å; A93-A96 PolarHBondContact O-N 3.35Å; A93-L97 WeakPolarHBondContact O-CB 3.29Å; A93-L97 PolarHBondContact O-N 3.48Å
94S36.6Very low39.5Very low60 Ų6086.6 Ų86.642%0.4250%0.497SS..THydrogen-bonded Turntrans-64.9-11.2169.1-170.20000113.3S89 A90S89-S94 PolarHBondContact O-N 3.01Å; A90-S94 VanDerWaalsContact CA-CB 3.44Å
95L42.6Very low38.9Very low55 Ų5587.9 Ų87.929%0.28851%0.509SS..THydrogen-bonded Turntrans-99.1-0.1174.6-100.8165.5000112.7V92 A93 L118V92-L95 PolarHBondContact O-N 3.21Å; A93-L95 PolarHBondContact O-N 3.45Å; A93-L95 VanDerWaalsContact O-N 3.12Å; L95-L118 HydrophobicContact CB-CD1 3.88Å; L95-L118 HydrophobicContact CB-CD2 4.05Å; L95-L118 HydrophobicContact CB-CG 4.34Å; L95-L118 HydrophobicContact CD1-CD2 3.89Å; L95-L118 HydrophobicContact CD1-CG 4.44Å; L95-L118 HydrophobicContact CD2-CD1 4.06Å; L95-L118 HydrophobicContact CD2-CD2 4.45Å; L95-L118 HydrophobicContact CD2-CG 4.14Å; L95-L118 HydrophobicContact CG-CD1 4.45Å; L95-L118 HydrophobicContact CG-CD2 4.33Å; L95-L118 VanDerWaalsContact O-CD1 3.31Å; L95-L118 WeakPolarHBondContact O-CD1 3.23Å
96A39.3Very low38.1Very low33 Ų3390.9 Ų90.927%0.27353%0.534SS..THydrogen-bonded Turntrans-127.5-31-179.300000114.6V92 A93 Y111V92-A96 PolarHBondContact O-N 2.98Å; A93-A96 PolarHBondContact O-N 3.35Å; A96-Y111 PolarHBondContact O-OH 3Å
97L41.4Very low38.2Very low116 Ų11696.1 Ų96.161%0.60756%0.557SS**SBendtrans-118.47.6-158.6-116.173.9000116.9P53 A93P53-L97 HydrophobicContact CB-CD2 4.34Å; P53-L97 HydrophobicContact CG-CD2 4.01Å; A93-L97 WeakPolarHBondContact O-CB 3.29Å; A93-L97 PolarHBondContact O-N 3.48Å
98S37.5Very low37.9Very low76 Ų7694.2 Ų94.253%0.53156%0.559SS.*SBendtrans-91.8-44.3-170.5-67.60000115.6Y111S98-Y111 PolarHBondContact N-OH 2.92Å
99D35.8Very low37.8Very low115 Ų11591.7 Ų91.762%0.61556%0.558SS**SBendtrans-1070.1-172.7-55-9.8000114G101 Y111D99-G101 PolarHBondContact O-N 3.5Å; D99-Y111 HydrophobicContact CB-CD1 4.45Å; D99-Y111 HydrophobicContact CB-CD2 3.6Å; D99-Y111 HydrophobicContact CB-CE1 4.26Å; D99-Y111 HydrophobicContact CB-CE2 3.38Å; D99-Y111 HydrophobicContact CB-CG 4.15Å; D99-Y111 VanDerWaalsContact CG-CE2 3.41Å; D99-Y111 PolarHBondContact N-OH 3.29Å; D99-Y111 VanDerWaalsContact N-OH 3.17Å; D99-Y111 WeakPolarHBondContact OD2-CD2 3.15Å; D99-Y111 WeakPolarHBondContact OD2-CE2 3.37Å
100L35.8Very low38.2Very low155 Ų15598 Ų9881%0.81258%0.582SS**  trans-82.453.6178.4-149.976.3000112.1
101G29.9Very low38.3Very low60 Ų6099.5 Ų99.562%0.61958%0.584SS**SBendtrans-162.364.7-165.900000116.9D99D99-G101 PolarHBondContact O-N 3.5Å
102Q31.4Very low38.7Very low194 Ų194102.6 Ų102.691%0.90760%0.596SS**  trans71.284.7163.2-50.5175.817.500118.2
103S31.2Very low39.5Very low106 Ų106105.5 Ų105.574%0.74162%0.617SS**  trans-148.4141.7132.9830000111.5T105S103-T105 PolarHBondContact O-N 3.23Å
104T30.4Very low40.2Very low146 Ų146105.2 Ų105.290%0.89661%0.613SS**  trans-95.990.1-176.352.40000111
105T36.3Very low41.1Very low120 Ų120106.2 Ų106.274%0.73661%0.608SS**  trans-147.2140.3173.27.80000110.9S103S103-T105 PolarHBondContact O-N 3.23Å
106S32.5Very low42.1Very low111 Ų111106.2 Ų106.278%0.77661%0.61SS**  trans-103.996.5-170.455.90000112.4
107E43.2Very low43.7Very low156 Ų156110 Ų11073%0.72962%0.62SS**SBendtrans-139.5155.9163.2-73.9-62162.700107.8N109E107-N109 PolarHBondContact O-N 3.47Å
108P40Very low44.8Very low125 Ų125104.7 Ų104.781%0.81259%0.592SS**  trans-7196.1-179.728.7-33.1000110.4
109N40.5Very low46.3Very low115 Ų115102.9 Ų102.962%0.61558%0.577SS**  trans-67.8138.1-165.2-88.4-26.6000114.6E107 Y111 D112E107-N109 PolarHBondContact O-N 3.47Å; N109-Y111 PolarHBondContact O-N 3.12Å; N109-D112 PolarHBondContact O-N 2.8Å
110E50.1Low48.2Very low173 Ų173107.4 Ų107.481%0.80859%0.585SS**THydrogen-bonded Turntrans-59.8-15.6174.3-166.2167.8-174.600113.4D112 S113E110-D112 PolarHBondContact O-N 3.26Å; E110-S113 WeakPolarHBondContact O-CA 3.5Å; E110-S113 WeakPolarHBondContact O-CB 3.21Å; E110-S113 PolarHBondContact O-N 3.13Å
111Y42.3Very low50.2Low54 Ų54105 Ų10521%0.21257%0.57CS.*Hα-helixtrans-67.8-26.4-178.4-147.7-112.8000114.4A96 S98 D99 N109 S113 S114 Y115A96-Y111 PolarHBondContact O-OH 3Å; S98-Y111 PolarHBondContact N-OH 2.92Å; D99-Y111 HydrophobicContact CB-CD1 4.45Å; D99-Y111 HydrophobicContact CB-CD2 3.6Å; D99-Y111 HydrophobicContact CB-CE1 4.26Å; D99-Y111 HydrophobicContact CB-CE2 3.38Å; D99-Y111 HydrophobicContact CB-CG 4.15Å; D99-Y111 VanDerWaalsContact CG-CE2 3.41Å; D99-Y111 PolarHBondContact N-OH 3.29Å; D99-Y111 VanDerWaalsContact N-OH 3.17Å; D99-Y111 WeakPolarHBondContact OD2-CD2 3.15Å; D99-Y111 WeakPolarHBondContact OD2-CE2 3.37Å; N109-Y111 PolarHBondContact O-N 3.12Å; Y111-S113 PolarHBondContact O-N 3.16Å; Y111-S114 PolarHBondContact O-OG 3.01Å; Y111-Y115 PolarHBondContact O-N 3.01Å
112D51.2Low52.8Low124 Ų124103.3 Ų103.366%0.66355%0.545SS*.Hα-helixtrans-62.1-32.5168-96.7-20.2000111N109 E110 V116N109-D112 PolarHBondContact O-N 2.8Å; E110-D112 PolarHBondContact O-N 3.26Å; D112-V116 WeakPolarHBondContact O-CB 3.23Å; D112-V116 WeakPolarHBondContact O-CG2 3.42Å; D112-V116 PolarHBondContact O-N 3.4Å
113S59.3Low55.4Low81 Ų8198 Ų9857%0.56652%0.524SS*.Hα-helixtrans-69.8-39.5-175.3-161.90000112.4E110 Y111 K117E110-S113 WeakPolarHBondContact O-CA 3.5Å; E110-S113 WeakPolarHBondContact O-CB 3.21Å; E110-S113 PolarHBondContact O-N 3.13Å; Y111-S113 PolarHBondContact O-N 3.16Å; S113-K117 WeakPolarHBondContact O-CB 3.43Å; S113-K117 PolarHBondContact O-N 2.93Å
114S57Low58.1Low34 Ų3498.4 Ų98.424%0.23851%0.512CS..Hα-helixtrans-70.1-43177.2560000111.8Y111 K117 L118Y111-S114 PolarHBondContact O-OG 3.01Å; S114-K117 WeakPolarHBondContact O-CB 3.08Å; S114-K117 PolarHBondContact O-N 3.35Å; S114-L118 PolarHBondContact O-N 2.83Å
115Y55.3Low60.9Low81 Ų8195.7 Ų95.732%0.31850%0.497SS..Hα-helixtrans-68.1-48179.3-166.8-111.2000112.3Y111 K117 L118 L119 I207 T211Y111-Y115 PolarHBondContact O-N 3.01Å; Y115-K117 PolarHBondContact O-N 3.5Å; Y115-L118 HydrophobicContact CD2-CD1 4.37Å; Y115-L118 WeakPolarHBondContact O-CB 3.22Å; Y115-L118 PolarHBondContact O-N 2.84Å; Y115-L119 HydrophobicContact CD1-CD1 3.9Å; Y115-L119 HydrophobicContact CE1-CD1 3.82Å; Y115-L119 WeakPolarHBondContact O-CG 3.4Å; Y115-L119 PolarHBondContact O-N 2.93Å; Y115-L119 VanDerWaalsContact O-N 3.14Å; Y115-I207 HydrophobicContact CE2-CG2 3.99Å; Y115-T211 HydrophobicContact CE1-CG2 3.95Å; Y115-T211 PolarHBondContact OH-OG1 3.25Å
116V64.3Low63.2Low55 Ų5591.7 Ų91.733%0.33348%0.476SS..Hα-helixtrans-63.7-27.8174172.80000111.5D112 R120D112-V116 WeakPolarHBondContact O-CB 3.23Å; D112-V116 WeakPolarHBondContact O-CG2 3.42Å; D112-V116 PolarHBondContact O-N 3.4Å; V116-R120 HydrophobicContact CG1-CG 4.47Å; V116-R120 WeakPolarHBondContact O-CB 3.17Å; V116-R120 WeakPolarHBondContact O-CG 3.31Å; V116-R120 PolarHBondContact O-N 3.34Å
117K73.2Confident65.9Low112 Ų11287.5 Ų87.549%0.48745%0.445SS..Hα-helixtrans-70.1-42.2173.4-177.8173.8174-66.30112.6S113 S114 Y115 L119 R120 E121S113-K117 WeakPolarHBondContact O-CB 3.43Å; S113-K117 PolarHBondContact O-N 2.93Å; S114-K117 WeakPolarHBondContact O-CB 3.08Å; S114-K117 PolarHBondContact O-N 3.35Å; Y115-K117 PolarHBondContact O-N 3.5Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3.34Å; K117-R120 PolarHBondContact O-N 3.49Å; K117-E121 WeakPolarHBondContact CE-OE1 3.35Å; K117-E121 IonicContact NZ-OE1 3.95Å; K117-E121 PolarHBondContact NZ-OE1 2.78Å; K117-E121 IonicContact NZ-OE2 2.58Å; K117-E121 PolarHBondContact NZ-OE2 3.09Å; K117-E121 WeakPolarHBondContact O-CB 3.28Å; K117-E121 WeakPolarHBondContact O-CG 3.15Å; K117-E121 PolarHBondContact O-N 3.25Å
118L64.6Low68.1Low5 Ų583.8 Ų83.83%0.02643%0.429CS..Hα-helixtrans-54.9-50.5170.4-73.5155.1000111.2L95 S114 Y115 R120 E121 F122 L204L95-L118 HydrophobicContact CB-CD1 3.88Å; L95-L118 HydrophobicContact CB-CD2 4.05Å; L95-L118 HydrophobicContact CB-CG 4.34Å; L95-L118 HydrophobicContact CD1-CD2 3.89Å; L95-L118 HydrophobicContact CD1-CG 4.44Å; L95-L118 HydrophobicContact CD2-CD1 4.06Å; L95-L118 HydrophobicContact CD2-CD2 4.45Å; L95-L118 HydrophobicContact CD2-CG 4.14Å; L95-L118 HydrophobicContact CG-CD1 4.45Å; L95-L118 HydrophobicContact CG-CD2 4.33Å; L95-L118 VanDerWaalsContact O-CD1 3.31Å; L95-L118 WeakPolarHBondContact O-CD1 3.23Å; S114-L118 PolarHBondContact O-N 2.83Å; Y115-L118 HydrophobicContact CD2-CD1 4.37Å; Y115-L118 WeakPolarHBondContact O-CB 3.22Å; Y115-L118 PolarHBondContact O-N 2.84Å; L118-R120 PolarHBondContact O-N 3.45Å; L118-E121 CarbonylContact O-C 3.56Å; L118-E121 WeakPolarHBondContact O-CA 3.21Å; L118-E121 PolarHBondContact O-N 3.15Å; L118-F122 PolarHBondContact O-N 3.12Å; L118-L204 HydrophobicContact CB-CD1 3.97Å; L118-L204 HydrophobicContact CD2-CD1 3.58Å; L118-L204 HydrophobicContact CG-CD1 4.43Å
119L68.1Low70.4Confident39 Ų3985.4 Ų85.420%0.20442%0.423CS..Hα-helixtrans-63.7-29.3-177.6-64.1170.6000112.4Y115 K117 F208 T211Y115-L119 HydrophobicContact CD1-CD1 3.9Å; Y115-L119 HydrophobicContact CE1-CD1 3.82Å; Y115-L119 WeakPolarHBondContact O-CG 3.4Å; Y115-L119 PolarHBondContact O-N 2.93Å; Y115-L119 VanDerWaalsContact O-N 3.14Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3.34Å; L119-F208 HydrophobicContact CD2-CB 4.24Å; L119-F208 HydrophobicContact CD2-CD2 3.9Å; L119-F208 HydrophobicContact CD2-CG 4.49Å; L119-T211 HydrophobicContact CD1-CG2 4Å; L119-T211 HydrophobicContact CD2-CG2 4.4Å
120R76.3Confident72.6Confident209 Ų20981 Ų8179%0.78940%0.403SS*.Hα-helixtrans-80.6-22.7171.5-72.1172.5-177.6-172.24.6114.1V116 K117 L118V116-R120 HydrophobicContact CG1-CG 4.47Å; V116-R120 WeakPolarHBondContact O-CB 3.17Å; V116-R120 WeakPolarHBondContact O-CG 3.31Å; V116-R120 PolarHBondContact O-N 3.34Å; K117-R120 PolarHBondContact O-N 3.49Å; L118-R120 PolarHBondContact O-N 3.45Å
121E76.7Confident74.4Confident104 Ų10476 Ų7649%0.48638%0.383SS..Hα-helixtrans-84.8-10.3174.9-75.8176.3-178.200112.6K117 L118 D123K117-E121 WeakPolarHBondContact CE-OE1 3.35Å; K117-E121 IonicContact NZ-OE1 3.95Å; K117-E121 PolarHBondContact NZ-OE1 2.78Å; K117-E121 IonicContact NZ-OE2 2.58Å; K117-E121 PolarHBondContact NZ-OE2 3.09Å; K117-E121 WeakPolarHBondContact O-CB 3.28Å; K117-E121 WeakPolarHBondContact O-CG 3.15Å; K117-E121 PolarHBondContact O-N 3.25Å; L118-E121 CarbonylContact O-C 3.56Å; L118-E121 WeakPolarHBondContact O-CA 3.21Å; L118-E121 PolarHBondContact O-N 3.15Å; E121-D123 PolarHBondContact O-N 2.88Å
122F84.4Confident76.6Confident25 Ų2580.8 Ų80.811%0.1140%0.401CS..  trans-72.895.9175.6-178.8-113.7000113L118 K124 L127 L204 A205 F208 Y209L118-F122 PolarHBondContact O-N 3.12Å; F122-K124 HydrophobicContact CE1-CB 4.08Å; F122-K124 HydrophobicContact CZ-CB 4.25Å; F122-L127 HydrophobicContact CE2-CB 4.4Å; F122-L127 HydrophobicContact CE2-CD2 4.12Å; F122-L127 HydrophobicContact CZ-CD2 4.08Å; F122-L204 HydrophobicContact CB-CD2 4.22Å; F122-L204 HydrophobicContact CB-CG 4.15Å; F122-L204 HydrophobicContact CD2-CD2 4.33Å; F122-L204 HydrophobicContact CD2-CG 4.07Å; F122-A205 HydrophobicContact CD2-CB 4.42Å; F122-A205 HydrophobicContact CE2-CB 3.54Å; F122-A205 HydrophobicContact CZ-CB 3.97Å; F122-F208 HydrophobicContact CB-CB 4.33Å; F122-F208 HydrophobicContact CB-CD2 4.1Å; F122-F208 HydrophobicContact CB-CG 4.36Å; F122-F208 HydrophobicContact CD1-CB 3.81Å; F122-F208 AromaticContact CD1-CD1 3.54Å; F122-F208 HydrophobicContact CD1-CD1 3.54Å; F122-F208 AromaticContact CD1-CD2 3.46Å; F122-F208 HydrophobicContact CD1-CD2 3.46Å; F122-F208 VanDerWaalsContact CD1-CD2 3.46Å; F122-F208 AromaticContact CD1-CE1 3.94Å; F122-F208 HydrophobicContact CD1-CE1 3.94Å; F122-F208 AromaticContact CD1-CE2 3.87Å; F122-F208 HydrophobicContact CD1-CE2 3.87Å; F122-F208 AromaticContact CD1-CG 3.28Å; F122-F208 HydrophobicContact CD1-CG 3.28Å; F122-F208 HydrophobicContact CD1-CZ 4.1Å; F122-F208 HydrophobicContact CD2-CB 4.42Å; F122-F208 HydrophobicContact CE1-CB 4.23Å; F122-F208 AromaticContact CE1-CD1 3.43Å; F122-F208 HydrophobicContact CE1-CD1 3.43Å; F122-F208 VanDerWaalsContact CE1-CD1 3.43Å; F122-F208 HydrophobicContact CE1-CD2 4.24Å; F122-F208 AromaticContact CE1-CE1 3.79Å; F122-F208 HydrophobicContact CE1-CE1 3.79Å; F122-F208 AromaticContact CE1-CG 3.7Å; F122-F208 HydrophobicContact CE1-CG 3.7Å; F122-F208 HydrophobicContact CE1-CZ 4.33Å; F122-F208 HydrophobicContact CG-CB 3.9Å; F122-F208 HydrophobicContact CG-CD1 4.47Å; F122-F208 HydrophobicContact CG-CD2 4.04Å; F122-F208 AromaticContact CG-CG 3.88Å; F122-F208 HydrophobicContact CG-CG 3.88Å; F122-F208 HydrophobicContact CZ-CD1 4.32Å; F122-Y209 HydrophobicContact CZ-CE2 4.15Å
123D85.9Confident78Confident84 Ų8478.8 Ų78.845%0.44939%0.385SS..  trans-92.8101.4172.1179.511.2000111.5E121 P125 A126 L127E121-D123 PolarHBondContact O-N 2.88Å; D123-P125 VanDerWaalsContact OD1-CB 3.22Å; D123-P125 WeakPolarHBondContact OD1-CB 3.25Å; D123-P125 WeakPolarHBondContact OD1-CD 3.26Å; D123-P125 VanDerWaalsContact OD1-CG 3.26Å; D123-P125 WeakPolarHBondContact OD1-CG 3.49Å; D123-A126 HydrophobicContact CB-CB 3.75Å; D123-A126 WeakPolarHBondContact O-CA 3.25Å; D123-A126 WeakPolarHBondContact O-CB 3.25Å; D123-A126 PolarHBondContact O-N 3.01Å; D123-A126 PolarHBondContact OD1-N 3.1Å; D123-A126 VanDerWaalsContact OD2-CB 3.3Å; D123-A126 WeakPolarHBondContact OD2-CB 3.47Å; D123-A126 PolarHBondContact OD2-N 3.45Å; D123-L127 PolarHBondContact O-N 2.81Å
124K88Confident79.2Confident114 Ų11479.7 Ų79.750%0.49638%0.377SS..Hα-helixtrans-56.3-46.5175.8177.8177.8-178.3179.90112.6F122 A126 L127 I128F122-K124 HydrophobicContact CE1-CB 4.08Å; F122-K124 HydrophobicContact CZ-CB 4.25Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 3.3Å; K124-L127 PolarHBondContact O-N 2.91Å; K124-I128 HydrophobicContact CG-CD1 4Å; K124-I128 WeakPolarHBondContact O-CG1 3.27Å; K124-I128 PolarHBondContact O-N 2.9Å
125P89.2Confident80.4Confident89 Ų8981 Ų8158%0.57839%0.39SS*.Hα-helixtrans-48.6-43164.4-29.928.9000115.8D123 I128 K129D123-P125 VanDerWaalsContact OD1-CB 3.22Å; D123-P125 WeakPolarHBondContact OD1-CB 3.25Å; D123-P125 WeakPolarHBondContact OD1-CD 3.26Å; D123-P125 VanDerWaalsContact OD1-CG 3.26Å; D123-P125 WeakPolarHBondContact OD1-CG 3.49Å; P125-I128 PolarHBondContact O-N 2.82Å; P125-K129 VanDerWaalsContact O-CB 3.32Å; P125-K129 WeakPolarHBondContact O-CB 3.37Å; P125-K129 PolarHBondContact O-N 3.33Å
126A84.8Confident81.3Confident36 Ų3683.2 Ų83.230%0.29840%0.403SS..Hα-helixtrans-66.2-41.6176.100000112.7D123 K124 K129 A130D123-A126 HydrophobicContact CB-CB 3.75Å; D123-A126 WeakPolarHBondContact O-CA 3.25Å; D123-A126 WeakPolarHBondContact O-CB 3.25Å; D123-A126 PolarHBondContact O-N 3.01Å; D123-A126 PolarHBondContact OD1-N 3.1Å; D123-A126 VanDerWaalsContact OD2-CB 3.3Å; D123-A126 WeakPolarHBondContact OD2-CB 3.47Å; D123-A126 PolarHBondContact OD2-N 3.45Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 3.3Å; A126-K129 PolarHBondContact O-N 3.09Å; A126-A130 WeakPolarHBondContact O-CB 3.38Å; A126-A130 PolarHBondContact O-N 2.76Å
127L89.7Confident81.5Confident23 Ų2381.7 Ų81.712%0.1239%0.393CS..Hα-helixtrans-57.7-51172.5174.867.5000111F122 D123 K124 K129 A130 V131 C201 L202 A205F122-L127 HydrophobicContact CE2-CB 4.4Å; F122-L127 HydrophobicContact CE2-CD2 4.12Å; F122-L127 HydrophobicContact CZ-CD2 4.08Å; D123-L127 PolarHBondContact O-N 2.81Å; K124-L127 PolarHBondContact O-N 2.91Å; L127-K129 VanDerWaalsContact C-N 3.25Å; L127-K129 PolarHBondContact O-N 3.04Å; L127-A130 PolarHBondContact O-N 3.3Å; L127-A130 VanDerWaalsContact O-N 3.14Å; L127-V131 HydrophobicContact CD1-CG2 4.22Å; L127-V131 WeakPolarHBondContact O-CG2 3.29Å; L127-V131 PolarHBondContact O-N 3.2Å; L127-C201 HydrophobicContact CD1-CB 3.86Å; L127-L202 HydrophobicContact CD1-CD2 3.96Å; L127-L202 HydrophobicContact CD1-CG 4.24Å; L127-A205 HydrophobicContact CD2-CB 3.76Å
128I90Very high81.2Confident78 Ų7882.6 Ų82.640%0.440%0.397SS..Hα-helixtrans-58.6-39.8178.6-68.1165.9000110.8K124 P125 R132K124-I128 HydrophobicContact CG-CD1 4Å; K124-I128 WeakPolarHBondContact O-CG1 3.27Å; K124-I128 PolarHBondContact O-N 2.9Å; P125-I128 PolarHBondContact O-N 2.82Å; I128-R132 HydrophobicContact CG2-CG 4.47Å; I128-R132 WeakPolarHBondContact O-CB 3.24Å; I128-R132 VanDerWaalsContact O-CG 3.29Å; I128-R132 WeakPolarHBondContact O-CG 3.45Å; I128-R132 PolarHBondContact O-N 2.8Å
129K88.3Confident81Confident159 Ų15987.5 Ų87.569%0.69143%0.427SS*.Hα-helixtrans-66.9-40.2176.9-173.7177.4-179.7179.50112.6P125 A126 L127 Y133P125-K129 VanDerWaalsContact O-CB 3.32Å; P125-K129 WeakPolarHBondContact O-CB 3.37Å; P125-K129 PolarHBondContact O-N 3.33Å; A126-K129 PolarHBondContact O-N 3.09Å; L127-K129 VanDerWaalsContact C-N 3.25Å; L127-K129 PolarHBondContact O-N 3.04Å; K129-Y133 WeakPolarHBondContact O-CB 3.16Å; K129-Y133 PolarHBondContact O-N 3.27Å
130A85.2Confident80.6Confident22 Ų2289.3 Ų89.318%0.18244%0.439CS..Hα-helixtrans-66.7-43.3176.200000111.9A126 L127 Y134 L198A126-A130 WeakPolarHBondContact O-CB 3.38Å; A126-A130 PolarHBondContact O-N 2.76Å; L127-A130 PolarHBondContact O-N 3.3Å; L127-A130 VanDerWaalsContact O-N 3.14Å; A130-Y134 PolarHBondContact O-N 2.9Å; A130-Y134 VanDerWaalsContact O-N 3.1Å; A130-L198 HydrophobicContact CB-CD1 3.93Å
131V89.1Confident79.9Confident67 Ų6781.2 Ų81.241%0.40641%0.409SS..Hα-helixtrans-63.6-46.4176.1172.50000111.1L127 Y134 A135 L198L127-V131 HydrophobicContact CD1-CG2 4.22Å; L127-V131 WeakPolarHBondContact O-CG2 3.29Å; L127-V131 PolarHBondContact O-N 3.2Å; V131-Y134 PolarHBondContact O-N 3.02Å; V131-A135 WeakPolarHBondContact O-CB 3.47Å; V131-A135 PolarHBondContact O-N 3.04Å; V131-L198 HydrophobicContact CG2-CD1 3.75Å
132R87.3Confident79.2Confident156 Ų15682.8 Ų82.859%0.58942%0.42SS*.Hα-helixtrans-59.4-48176.3-79.4177179.8-122.92.4112.4I128 Y134 A135 E136I128-R132 HydrophobicContact CG2-CG 4.47Å; I128-R132 WeakPolarHBondContact O-CB 3.24Å; I128-R132 VanDerWaalsContact O-CG 3.29Å; I128-R132 WeakPolarHBondContact O-CG 3.45Å; I128-R132 PolarHBondContact O-N 2.8Å; R132-Y134 VanDerWaalsContact C-N 3.31Å; R132-Y134 PolarHBondContact O-N 2.61Å; R132-A135 PolarHBondContact O-N 3.33Å; R132-A135 VanDerWaalsContact O-N 3.12Å; R132-E136 WeakPolarHBondContact O-CB 3.29Å; R132-E136 WeakPolarHBondContact O-CG 3.28Å; R132-E136 PolarHBondContact O-N 3.02Å
133Y82.4Confident78.1Confident82 Ų8283.2 Ų83.232%0.32243%0.426SS..Hα-helixtrans-54.4-48.2176.3-178.6-84.9000111K129 A135 D137 H194K129-Y133 WeakPolarHBondContact O-CB 3.16Å; K129-Y133 PolarHBondContact O-N 3.27Å; Y133-A135 PolarHBondContact O-N 3.12Å; Y133-D137 WeakPolarHBondContact CE1-OD2 3.49Å; Y133-D137 WeakPolarHBondContact O-CB 3.25Å; Y133-D137 PolarHBondContact O-N 3.14Å; Y133-H194 HydrophobicContact CD1-CB 4.21Å; Y133-H194 AromaticContact CD1-ND1 3.43Å; Y133-H194 WeakPolarHBondContact CD1-ND1 3.37Å; Y133-H194 HydrophobicContact CE1-CB 3.69Å; Y133-H194 AromaticContact CE1-CE1 3.84Å; Y133-H194 AromaticContact CE1-CG 3.45Å; Y133-H194 VanDerWaalsContact CE1-CG 3.45Å; Y133-H194 AromaticContact CE1-ND1 2.97Å; Y133-H194 WeakPolarHBondContact CE1-ND1 3.35Å; Y133-H194 AromaticContact CE2-ND1 3.88Å; Y133-H194 AromaticContact CZ-CE1 3.61Å; Y133-H194 AromaticContact CZ-CG 3.89Å; Y133-H194 AromaticContact CZ-ND1 3.23Å
134Y82.6Confident76.7Confident99 Ų9984.6 Ų84.639%0.38844%0.44SS..Hα-helixtrans-65-36.6177.9-179.7-115.8000113.7A130 V131 R132 K138 L195 L198A130-Y134 PolarHBondContact O-N 2.9Å; A130-Y134 VanDerWaalsContact O-N 3.1Å; V131-Y134 PolarHBondContact O-N 3.02Å; R132-Y134 VanDerWaalsContact C-N 3.31Å; R132-Y134 PolarHBondContact O-N 2.61Å; Y134-K138 PolarHBondContact O-N 2.93Å; Y134-L195 HydrophobicContact CD2-CD2 3.89Å; Y134-L195 HydrophobicContact CE2-CD2 3.57Å; Y134-L195 HydrophobicContact CE2-CG 4.46Å; Y134-L198 HydrophobicContact CD1-CD2 3.81Å; Y134-L198 HydrophobicContact CG-CD2 3.77Å
135A82.5Confident75.2Confident62 Ų6287.3 Ų87.351%0.51245%0.451SS..Hα-helixtrans-70.9-47.4-179.400000113V131 R132 Y133 K138V131-A135 WeakPolarHBondContact O-CB 3.47Å; V131-A135 PolarHBondContact O-N 3.04Å; R132-A135 PolarHBondContact O-N 3.33Å; R132-A135 VanDerWaalsContact O-N 3.12Å; Y133-A135 PolarHBondContact O-N 3.12Å; A135-K138 WeakPolarHBondContact O-CB 3.27Å
136E74.6Confident73.7Confident127 Ų12785.4 Ų85.459%0.59344%0.436SS*.Hα-helixtrans-60.8-46.9178.2-69.6164.7-157.900110.6R132 K138 T139R132-E136 WeakPolarHBondContact O-CB 3.29Å; R132-E136 WeakPolarHBondContact O-CG 3.28Å; R132-E136 PolarHBondContact O-N 3.02Å; E136-K138 VanDerWaalsContact C-N 3.32Å; E136-K138 PolarHBondContact O-N 3.38Å; E136-T139 PolarHBondContact O-N 2.99Å; E136-T139 PolarHBondContact O-OG1 2.75Å
137D68.6Low72.4Confident23 Ų2386.3 Ų86.312%0.12344%0.436CS..Hα-helixtrans-76.9-15.1-172.2-157.618.5000113Y133 T139 V140 W141Y133-D137 WeakPolarHBondContact CE1-OD2 3.49Å; Y133-D137 WeakPolarHBondContact O-CB 3.25Å; Y133-D137 PolarHBondContact O-N 3.14Å; D137-T139 PolarHBondContact O-N 3.02Å; D137-V140 PolarHBondContact O-N 2.89Å; D137-V140 WeakPolarHBondContact OD1-CB 3.46Å; D137-W141 VanDerWaalsContact C-CD1 3.43Å; D137-W141 PolarHBondContact O-N 3.15Å; D137-W141 WeakPolarHBondContact OD2-CZ2 3.44Å; D137-W141 PolarHBondContact OD2-NE1 2.92Å
138K67.3Low70.9Confident132 Ų13288.2 Ų88.257%0.57445%0.45SS*.Hα-helixtrans-51.3-31.4171.3-171.4178.4179.2-177.10112.3Y134 A135 E136 L142Y134-K138 PolarHBondContact O-N 2.93Å; A135-K138 WeakPolarHBondContact O-CB 3.27Å; E136-K138 VanDerWaalsContact C-N 3.32Å; E136-K138 PolarHBondContact O-N 3.38Å; K138-L142 WeakPolarHBondContact O-CG 3.29Å
139T61.1Low69.5Low108 Ų10894.3 Ų94.366%0.66347%0.468SS*.Hα-helixtrans-73.8-33.9176.3640000113.6E136 D137E136-T139 PolarHBondContact O-N 2.99Å; E136-T139 PolarHBondContact O-OG1 2.75Å; D137-T139 PolarHBondContact O-N 3.02Å
140V59.6Low68.1Low76 Ų7689 Ų8946%0.46146%0.459SS..Hα-helixtrans-81-38.9179.9-177.20000110.6D137 L142 S143 N146D137-V140 PolarHBondContact O-N 2.89Å; D137-V140 WeakPolarHBondContact OD1-CB 3.46Å; V140-L142 PolarHBondContact O-N 3.24Å; V140-S143 WeakPolarHBondContact O-CB 3.25Å; V140-S143 PolarHBondContact O-N 3.38Å; V140-N146 PolarHBondContact O-ND2 3.2Å
141W61.6Low66.9Low40 Ų4093.4 Ų93.415%0.15249%0.487CS..Hα-helixtrans-60.6-27.9176.3-68124.8000114D137 A187 K191D137-W141 VanDerWaalsContact C-CD1 3.43Å; D137-W141 PolarHBondContact O-N 3.15Å; D137-W141 WeakPolarHBondContact OD2-CZ2 3.44Å; D137-W141 PolarHBondContact OD2-NE1 2.92Å; W141-A187 WeakPolarHBondContact CH2-O 3.35Å; W141-A187 HydrophobicContact CZ3-CB 3.95Å; W141-A187 WeakPolarHBondContact CZ3-O 3.4Å; W141-K191 HydrophobicContact CB-CD 4.5Å; W141-K191 HydrophobicContact CD2-CB 4.15Å; W141-K191 HydrophobicContact CD2-CD 3.53Å; W141-K191 HydrophobicContact CD2-CG 3.82Å; W141-K191 HydrophobicContact CE3-CB 4.08Å; W141-K191 HydrophobicContact CE3-CD 3.83Å; W141-K191 HydrophobicContact CE3-CG 4.2Å; W141-K191 HydrophobicContact CG-CD 3.8Å; W141-K191 HydrophobicContact CG-CG 4.37Å; W141-K191 HydrophobicContact CH2-CB 3.59Å; W141-K191 HydrophobicContact CH2-CG 4.26Å; W141-K191 HydrophobicContact CZ2-CB 3.6Å; W141-K191 HydrophobicContact CZ2-CD 4.45Å; W141-K191 HydrophobicContact CZ2-CG 3.82Å; W141-K191 HydrophobicContact CZ3-CB 3.81Å; W141-K191 HydrophobicContact CZ3-CD 4.43Å; W141-K191 HydrophobicContact CZ3-CG 4.41Å
142L61.5Low65.7Low136 Ų13692.6 Ų92.671%0.71248%0.48SS*.THydrogen-bonded Turntrans-92.26.1175.8-65.3173.4000113.2K138 V140K138-L142 WeakPolarHBondContact O-CG 3.29Å; V140-L142 PolarHBondContact O-N 3.24Å
143S60.7Low65.1Low35 Ų3592 Ų9225%0.24548%0.484CS..  trans-65.3130.5-178-1680000111.8V140 K145 N146V140-S143 WeakPolarHBondContact O-CB 3.25Å; V140-S143 PolarHBondContact O-N 3.38Å; S143-K145 PolarHBondContact O-N 3.36Å; S143-N146 PolarHBondContact O-N 3.38Å
144P56.9Low65Low113 Ų11395.5 Ų95.573%0.73450%0.501SS*.THydrogen-bonded Turntrans-59-8.1175.8-27.235.8000115.6N146P144-N146 VanDerWaalsContact C-N 3.27Å
145K57Low64.9Low170 Ų17095.3 Ų95.374%0.73951%0.507SS*.THydrogen-bonded Turntrans-66.9-29169.6-65.8179.8-179.2175.40112.8S143S143-K145 PolarHBondContact O-N 3.36Å
146N56Low64.7Low49 Ų4996.7 Ų96.726%0.26250%0.502SS..SBendtrans-94.6-4.3-178.7-58.9-17.9000112.3V140 S143 P144 P148 A184V140-N146 PolarHBondContact O-ND2 3.2Å; S143-N146 PolarHBondContact O-N 3.38Å; P144-N146 VanDerWaalsContact C-N 3.27Å; N146-P148 WeakPolarHBondContact O-CD 3.45Å; N146-A184 HydrophobicContact CB-CB 4.36Å; N146-A184 WeakPolarHBondContact O-CB 3.48Å
147D58.8Low64.9Low55 Ų5593.2 Ų93.229%0.29449%0.487SS..  trans-82.4119.1176.5-170.1-35.4000109.5R149D147-R149 PolarHBondContact O-N 2.99Å; D147-R149 WeakPolarHBondContact OD1-CB 3.2Å; D147-R149 VanDerWaalsContact OD1-CG 3.22Å; D147-R149 WeakPolarHBondContact OD1-CG 3.41Å; D147-R149 PolarHBondContact OD1-N 2.91Å; D147-R149 IonicContact OD1-NE 2.89Å; D147-R149 PolarHBondContact OD1-NE 2.78Å; D147-R149 IonicContact OD2-CZ 3.24Å; D147-R149 IonicContact OD2-NE 2.66Å; D147-R149 PolarHBondContact OD2-NE 3.48Å; D147-R149 IonicContact OD2-NH2 3.02Å; D147-R149 PolarHBondContact OD2-NH2 2.75Å
148P58.3Low65.6Low64 Ų6496.5 Ų96.542%0.41651%0.505SS..  trans-74.711.9-178.532.1-36.3000114.4N146 G150 Y181N146-P148 WeakPolarHBondContact O-CD 3.45Å; P148-G150 PolarHBondContact O-N 3.15Å; P148-Y181 HydrophobicContact CB-CD2 4.02Å
149R59.7Low66.5Low205 Ų20596 Ų9677%0.77450%0.502SS*.THydrogen-bonded Turntrans-51.1119.5166.1-85.7177.3-122.3-122.81.2111.2D147D147-R149 PolarHBondContact O-N 2.99Å; D147-R149 WeakPolarHBondContact OD1-CB 3.2Å; D147-R149 VanDerWaalsContact OD1-CG 3.22Å; D147-R149 WeakPolarHBondContact OD1-CG 3.41Å; D147-R149 PolarHBondContact OD1-N 2.91Å; D147-R149 IonicContact OD1-NE 2.89Å; D147-R149 PolarHBondContact OD1-NE 2.78Å; D147-R149 IonicContact OD2-CZ 3.24Å; D147-R149 IonicContact OD2-NE 2.66Å; D147-R149 PolarHBondContact OD2-NE 3.48Å; D147-R149 IonicContact OD2-NH2 3.02Å; D147-R149 PolarHBondContact OD2-NH2 2.75Å
150G59Low67.4Low49 Ų4991 Ų9151%0.50547%0.472SS..THydrogen-bonded Turntrans144.5-5.2-171.200000114.2P148 I152P148-G150 PolarHBondContact O-N 3.15Å; G150-I152 PolarHBondContact O-N 2.91Å
151C59.9Low68.6Low113 Ų11393.5 Ų93.576%0.76448%0.48SS*.  trans-62.1105.9170.7-67.70000110.9E153C151-E153 PolarHBondContact O-N 3.35Å
152I65.2Low69.8Low51 Ų51102.6 Ų102.626%0.26252%0.515SS..  trans-65.2129.9174.2-61.1176.1000108.7G150 E156 L157 T170 D173 V174G150-I152 PolarHBondContact O-N 2.91Å; I152-E156 HydrophobicContact CG2-CB 3.73Å; I152-L157 HydrophobicContact CG2-CB 4.29Å; I152-T170 HydrophobicContact CD1-CG2 3.81Å; I152-D173 HydrophobicContact CD1-CB 4.21Å; I152-V174 HydrophobicContact CD1-CG2 4.26Å
153E74.8Confident71.1Confident143 Ų14399.9 Ų99.967%0.66850%0.501SS*.  trans-58.3144-179.8-67.9-169.8165.800111.5C151 D155 E156 L157C151-E153 PolarHBondContact O-N 3.35Å; E153-D155 PolarHBondContact O-N 3.35Å; E153-D155 VanDerWaalsContact O-N 3.09Å; E153-E156 HydrophobicContact CB-CB 4.49Å; E153-E156 HydrophobicContact CB-CG 4.32Å; E153-E156 WeakPolarHBondContact O-CA 3.47Å; E153-E156 WeakPolarHBondContact O-CB 3.37Å; E153-E156 PolarHBondContact O-N 2.9Å; E153-L157 PolarHBondContact O-N 3.02Å
154K79.4Confident72.4Confident156 Ų156108.8 Ų108.868%0.67853%0.529SS*.Hα-helixtrans-48.2-42.7-178.8178.8-173.7171.5-168.90112.8L158K154-L158 HydrophobicContact CG-CD1 4.13Å; K154-L158 WeakPolarHBondContact O-CB 3.19Å; K154-L158 VanDerWaalsContact O-CG 3.25Å; K154-L158 WeakPolarHBondContact O-CG 3.37Å; K154-L158 PolarHBondContact O-N 3.27Å
155D80.4Confident73.8Confident95 Ų95106.4 Ų106.451%0.50851%0.508SS..Hα-helixtrans-79.3-23.8-177.1-68.5-11.2000112.7E153 K159E153-D155 PolarHBondContact O-N 3.35Å; E153-D155 VanDerWaalsContact O-N 3.09Å; D155-K159 WeakPolarHBondContact O-CD 3.43Å; D155-K159 VanDerWaalsContact O-CE 3.24Å; D155-K159 WeakPolarHBondContact O-CE 3.4Å; D155-K159 WeakPolarHBondContact O-CG 3.25Å; D155-K159 PolarHBondContact O-N 2.97Å; D155-K159 VanDerWaalsContact O-N 3.17Å
156E78.3Confident75.1Confident91 Ų91103.8 Ų103.843%0.42549%0.493SS..Hα-helixtrans-72.8-45.2167.7-67.5-143120.700111.6I152 E153 L158 K159 C160I152-E156 HydrophobicContact CG2-CB 3.73Å; E153-E156 HydrophobicContact CB-CB 4.49Å; E153-E156 HydrophobicContact CB-CG 4.32Å; E153-E156 WeakPolarHBondContact O-CA 3.47Å; E153-E156 WeakPolarHBondContact O-CB 3.37Å; E153-E156 PolarHBondContact O-N 2.9Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.18Å; E156-K159 CarbonylContact O-C 3.6Å; E156-K159 WeakPolarHBondContact O-CA 3.44Å; E156-K159 WeakPolarHBondContact O-CB 3.22Å; E156-K159 PolarHBondContact O-N 2.85Å; E156-C160 PolarHBondContact O-N 3Å; E156-C160 PolarHBondContact O-SG 3.36Å; E156-C160 VanDerWaalsContact O-SG 3.33Å
157L79.9Confident76.7Confident53 Ų53102.2 Ų102.228%0.27749%0.489SS..Hα-helixtrans-55.4-46173.9178.960.6000111.2I152 E153 K159 C160 M161 T170 V174I152-L157 HydrophobicContact CG2-CB 4.29Å; E153-L157 PolarHBondContact O-N 3.02Å; L157-K159 VanDerWaalsContact C-N 3.35Å; L157-K159 PolarHBondContact O-N 3.13Å; L157-C160 PolarHBondContact O-N 3Å; L157-M161 WeakPolarHBondContact O-CG 3.43Å; L157-M161 PolarHBondContact O-N 3.05Å; L157-T170 HydrophobicContact CD1-CG2 3.58Å; L157-V174 HydrophobicContact CD1-CG2 4.26Å
158L82.8Confident78.1Confident93 Ų93107.7 Ų107.749%0.48751%0.505SS..Hα-helixtrans-66-30.3175.7-72.8170.5000113.7K154 E156K154-L158 HydrophobicContact CG-CD1 4.13Å; K154-L158 WeakPolarHBondContact O-CB 3.19Å; K154-L158 VanDerWaalsContact O-CG 3.25Å; K154-L158 WeakPolarHBondContact O-CG 3.37Å; K154-L158 PolarHBondContact O-N 3.27Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.18Å
159K85.4Confident79.5Confident120 Ų120112 Ų11252%0.52251%0.513SS..Hα-helixtrans-71.3-42.4170.8-70.1158-158.7160.50110.9D155 E156 L157 R162D155-K159 WeakPolarHBondContact O-CD 3.43Å; D155-K159 VanDerWaalsContact O-CE 3.24Å; D155-K159 WeakPolarHBondContact O-CE 3.4Å; D155-K159 WeakPolarHBondContact O-CG 3.25Å; D155-K159 PolarHBondContact O-N 2.97Å; D155-K159 VanDerWaalsContact O-N 3.17Å; E156-K159 CarbonylContact O-C 3.6Å; E156-K159 WeakPolarHBondContact O-CA 3.44Å; E156-K159 WeakPolarHBondContact O-CB 3.22Å; E156-K159 PolarHBondContact O-N 2.85Å; L157-K159 VanDerWaalsContact C-N 3.35Å; L157-K159 PolarHBondContact O-N 3.13Å; K159-R162 PolarHBondContact O-N 2.89Å
160C80.9Confident80.8Confident4 Ų4102.7 Ų102.73%0.02748%0.479CS..Hα-helixtrans-63-41.2178-69.40000112.5E156 L157 R162 D163 R166 G167 T170E156-C160 PolarHBondContact O-N 3Å; E156-C160 PolarHBondContact O-SG 3.36Å; E156-C160 VanDerWaalsContact O-SG 3.33Å; L157-C160 PolarHBondContact O-N 3Å; C160-R162 PolarHBondContact O-N 3.37Å; C160-R162 VanDerWaalsContact O-N 3.13Å; C160-D163 PolarHBondContact O-N 2.82Å; C160-D163 VanDerWaalsContact O-O 3.05Å; C160-R166 HydrophobicContact CB-CG 4.16Å; C160-R166 PolarHBondContact SG-NH1 3.14Å; C160-G167 PolarHBondContact O-N 3.34Å; C160-T170 HydrophobicContact CB-CG2 3.79Å; C160-T170 WeakPolarHBondContact CB-OG1 3.15Å; C160-T170 PolarHBondContact SG-OG1 3.26Å
161M83.6Confident82.1Confident129 Ų129106 Ų10664%0.63548%0.483SS*.THydrogen-bonded Turntrans-64.6-13.2-179.4-75.2-175.971.700115.2L157L157-M161 WeakPolarHBondContact O-CG 3.43Å; L157-M161 PolarHBondContact O-N 3.05Å
162R88.1Confident83.4Confident231 Ų231104 Ų10487%0.87247%0.471SS*.THydrogen-bonded Turntrans-75.1-26.3175.8-65.2-171.6-177.9-155.21.1113.3K159 C160K159-R162 PolarHBondContact O-N 2.89Å; C160-R162 PolarHBondContact O-N 3.37Å; C160-R162 VanDerWaalsContact O-N 3.13Å
163D87.4Confident84.2Confident79 Ų79105.8 Ų105.842%0.42248%0.48SS..SBendtrans-100.6124173168.12.6000108.3C160 E165 R166 G167C160-D163 PolarHBondContact O-N 2.82Å; C160-D163 VanDerWaalsContact O-O 3.05Å; D163-E165 PolarHBondContact O-N 3.43Å; D163-E165 PolarHBondContact OD1-N 2.98Å; D163-R166 HydrophobicContact CB-CB 3.84Å; D163-R166 PolarHBondContact OD1-N 2.89Å; D163-R166 VanDerWaalsContact OD2-CB 3.29Å; D163-R166 WeakPolarHBondContact OD2-CB 3.48Å; D163-R166 PolarHBondContact OD2-N 2.91Å; D163-G167 WeakPolarHBondContact O-CA 3.34Å; D163-G167 PolarHBondContact O-N 2.93Å
164R88.5Confident84.7Confident222 Ų222100.1 Ų100.184%0.83846%0.456SS*.Hα-helixtrans-62.7-30.9-177.7-175.9173.3-179.5159.90.6112.7R168R164-R168 WeakPolarHBondContact O-CG 3.26Å; R164-R168 PolarHBondContact O-N 3.35Å
165E87.1Confident85Confident62 Ų6296.6 Ų96.629%0.2944%0.444SS..Hα-helixtrans-86.2-45.7-179.3178.354.4-162.300111.7D163 G167 R168 R169D163-E165 PolarHBondContact O-N 3.43Å; D163-E165 PolarHBondContact OD1-N 2.98Å; E165-G167 VanDerWaalsContact C-N 3.29Å; E165-G167 PolarHBondContact O-N 3.02Å; E165-R168 PolarHBondContact O-N 2.92Å; E165-R168 VanDerWaalsContact O-N 3.17Å; E165-R168 IonicContact OE2-CZ 3.23Å; E165-R168 VanDerWaalsContact OE2-CZ 3.24Å; E165-R168 IonicContact OE2-NE 3.43Å; E165-R168 PolarHBondContact OE2-NE 3.4Å; E165-R168 IonicContact OE2-NH2 2.73Å; E165-R168 PolarHBondContact OE2-NH2 3.21Å; E165-R169 VanDerWaalsContact CG-NH2 3.33Å; E165-R169 PolarHBondContact O-N 2.86Å; E165-R169 IonicContact OE1-CZ 3.22Å; E165-R169 IonicContact OE1-NE 2.64Å; E165-R169 PolarHBondContact OE1-NE 3.34Å; E165-R169 IonicContact OE1-NH2 2.73Å; E165-R169 PolarHBondContact OE1-NH2 3.26Å
166R84.2Confident85.2Confident116 Ų11694.4 Ų94.444%0.43844%0.436SS..Hα-helixtrans-58.7-42.9172-167.7173.1-172.8-132.5-5.6111.4C160 D163 R168 R169 T170C160-R166 HydrophobicContact CB-CG 4.16Å; C160-R166 PolarHBondContact SG-NH1 3.14Å; D163-R166 HydrophobicContact CB-CB 3.84Å; D163-R166 PolarHBondContact OD1-N 2.89Å; D163-R166 VanDerWaalsContact OD2-CB 3.29Å; D163-R166 WeakPolarHBondContact OD2-CB 3.48Å; D163-R166 PolarHBondContact OD2-N 2.91Å; R166-R168 VanDerWaalsContact C-N 3.32Å; R166-R168 PolarHBondContact O-N 3.14Å; R166-R169 PolarHBondContact O-N 3.41Å; R166-R169 VanDerWaalsContact O-N 3.17Å; R166-T170 WeakPolarHBondContact O-CB 3.26Å; R166-T170 PolarHBondContact O-N 3.03Å; R166-T170 PolarHBondContact O-OG1 3.29Å
167G89.5Confident85.3Confident16 Ų1691.3 Ų91.317%0.16543%0.426CS..Hα-helixtrans-59.6-34.9175.400000114.1C160 D163 E165 M171C160-G167 PolarHBondContact O-N 3.34Å; D163-G167 WeakPolarHBondContact O-CA 3.34Å; D163-G167 PolarHBondContact O-N 2.93Å; E165-G167 VanDerWaalsContact C-N 3.29Å; E165-G167 PolarHBondContact O-N 3.02Å; G167-M171 VanDerWaalsContact O-CB 3.27Å; G167-M171 WeakPolarHBondContact O-CB 3.18Å; G167-M171 PolarHBondContact O-N 3.1Å
168R88.5Confident85.5Confident169 Ų16994.1 Ų94.164%0.63844%0.436SS*.Hα-helixtrans-64-44.3173.3-80.4-162.8-67.7-168.3-0.5112R164 E165 R166 M171 S172R164-R168 WeakPolarHBondContact O-CG 3.26Å; R164-R168 PolarHBondContact O-N 3.35Å; E165-R168 PolarHBondContact O-N 2.92Å; E165-R168 VanDerWaalsContact O-N 3.17Å; E165-R168 IonicContact OE2-CZ 3.23Å; E165-R168 VanDerWaalsContact OE2-CZ 3.24Å; E165-R168 IonicContact OE2-NE 3.43Å; E165-R168 PolarHBondContact OE2-NE 3.4Å; E165-R168 IonicContact OE2-NH2 2.73Å; E165-R168 PolarHBondContact OE2-NH2 3.21Å; R166-R168 VanDerWaalsContact C-N 3.32Å; R166-R168 PolarHBondContact O-N 3.14Å; R168-M171 PolarHBondContact O-N 2.97Å; R168-S172 PolarHBondContact O-N 3.04Å; R168-S172 VanDerWaalsContact O-N 3.14Å
169R87.7Confident85.6Confident155 Ų15593.6 Ų93.659%0.58543%0.434SS*.Hα-helixtrans-66.3-52.5179.8-60174-163.9176.81.2110.3E165 R166 M171 S172 D173E165-R169 VanDerWaalsContact CG-NH2 3.33Å; E165-R169 PolarHBondContact O-N 2.86Å; E165-R169 IonicContact OE1-CZ 3.22Å; E165-R169 IonicContact OE1-NE 2.64Å; E165-R169 PolarHBondContact OE1-NE 3.34Å; E165-R169 IonicContact OE1-NH2 2.73Å; E165-R169 PolarHBondContact OE1-NH2 3.26Å; R166-R169 PolarHBondContact O-N 3.41Å; R166-R169 VanDerWaalsContact O-N 3.17Å; R169-M171 VanDerWaalsContact C-N 3.27Å; R169-M171 PolarHBondContact O-N 3Å; R169-S172 CarbonylContact O-C 3.56Å; R169-S172 WeakPolarHBondContact O-CA 3.47Å; R169-S172 WeakPolarHBondContact O-CB 3.49Å; R169-S172 PolarHBondContact O-N 3.28Å; R169-D173 VanDerWaalsContact O-CG 3.25Å; R169-D173 PolarHBondContact O-N 3.26Å; R169-D173 VanDerWaalsContact O-OD2 3.09Å
170T85.8Confident85.3Confident10 Ų1094.6 Ų94.66%0.06143%0.434CS..Hα-helixtrans-56.2-36.8175.7-61.40000113.2I152 L157 C160 R166 D173 V174I152-T170 HydrophobicContact CD1-CG2 3.81Å; L157-T170 HydrophobicContact CD1-CG2 3.58Å; C160-T170 HydrophobicContact CB-CG2 3.79Å; C160-T170 WeakPolarHBondContact CB-OG1 3.15Å; C160-T170 PolarHBondContact SG-OG1 3.26Å; R166-T170 WeakPolarHBondContact O-CB 3.26Å; R166-T170 PolarHBondContact O-N 3.03Å; R166-T170 PolarHBondContact O-OG1 3.29Å; T170-D173 WeakPolarHBondContact CA-OD2 3.36Å; T170-D173 PolarHBondContact N-OD2 3.05Å; T170-D173 PolarHBondContact O-N 2.82Å; T170-V174 WeakPolarHBondContact O-CB 3.43Å; T170-V174 VanDerWaalsContact O-CG2 3.27Å; T170-V174 WeakPolarHBondContact O-CG2 3.4Å; T170-V174 PolarHBondContact O-N 3.36Å
171M86.4Confident85.3Confident119 Ų119100.3 Ų100.359%0.58646%0.456SS*.Hα-helixtrans-68.4-34.5174-168.368-167.600112.5G167 R168 R169 N175G167-M171 VanDerWaalsContact O-CB 3.27Å; G167-M171 WeakPolarHBondContact O-CB 3.18Å; G167-M171 PolarHBondContact O-N 3.1Å; R168-M171 PolarHBondContact O-N 2.97Å; R169-M171 VanDerWaalsContact C-N 3.27Å; R169-M171 PolarHBondContact O-N 3Å; M171-N175 WeakPolarHBondContact O-CB 3.46Å; M171-N175 PolarHBondContact O-N 3.42Å
172S87.5Confident85.4Confident71 Ų71100.9 Ų100.950%0.49745%0.452SS..Hα-helixtrans-66.9-39.9172.2-165.80000111.8R168 R169 N175 S176R168-S172 PolarHBondContact O-N 3.04Å; R168-S172 VanDerWaalsContact O-N 3.14Å; R169-S172 CarbonylContact O-C 3.56Å; R169-S172 WeakPolarHBondContact O-CA 3.47Å; R169-S172 WeakPolarHBondContact O-CB 3.49Å; R169-S172 PolarHBondContact O-N 3.28Å; S172-N175 PolarHBondContact O-N 2.84Å; S172-S176 WeakPolarHBondContact O-CB 3.36Å; S172-S176 PolarHBondContact O-N 2.89Å; S172-S176 PolarHBondContact O-OG 3.38Å
173D83.2Confident85.1Confident87 Ų8794.8 Ų94.847%0.46544%0.437SS..Hα-helixtrans-64.4-47.3176.2-55.4-40.6000110.6I152 R169 T170 S176 A177I152-D173 HydrophobicContact CD1-CB 4.21Å; R169-D173 VanDerWaalsContact O-CG 3.25Å; R169-D173 PolarHBondContact O-N 3.26Å; R169-D173 VanDerWaalsContact O-OD2 3.09Å; T170-D173 WeakPolarHBondContact CA-OD2 3.36Å; T170-D173 PolarHBondContact N-OD2 3.05Å; T170-D173 PolarHBondContact O-N 2.82Å; D173-S176 WeakPolarHBondContact O-CB 3.25Å; D173-S176 PolarHBondContact O-N 2.65Å; D173-S176 VanDerWaalsContact O-N 3.17Å; D173-A177 PolarHBondContact O-N 3.03Å
174V83.6Confident84.7Confident25 Ų2591.8 Ų91.815%0.15242%0.424CS..Hα-helixtrans-61.2-44.1175.5166.30000111.7I152 L157 T170 S176 A177 F178I152-V174 HydrophobicContact CD1-CG2 4.26Å; L157-V174 HydrophobicContact CD1-CG2 4.26Å; T170-V174 WeakPolarHBondContact O-CB 3.43Å; T170-V174 VanDerWaalsContact O-CG2 3.27Å; T170-V174 WeakPolarHBondContact O-CG2 3.4Å; T170-V174 PolarHBondContact O-N 3.36Å; V174-S176 VanDerWaalsContact C-N 3.29Å; V174-S176 PolarHBondContact O-N 3.1Å; V174-A177 PolarHBondContact O-N 2.94Å; V174-F178 HydrophobicContact CG1-CD2 3.73Å; V174-F178 HydrophobicContact CG1-CE2 3.47Å; V174-F178 VanDerWaalsContact CG1-CE2 3.47Å; V174-F178 VanDerWaalsContact O-CD2 3.25Å; V174-F178 WeakPolarHBondContact O-CD2 3.36Å; V174-F178 PolarHBondContact O-N 2.87Å
175N87.4Confident84.4Confident82 Ų8283.2 Ų83.244%0.43940%0.396SS..Hα-helixtrans-65.4-34.4175.8-164.599.7000111.8M171 S172 F178 N179M171-N175 WeakPolarHBondContact O-CB 3.46Å; M171-N175 PolarHBondContact O-N 3.42Å; S172-N175 PolarHBondContact O-N 2.84Å; N175-F178 PolarHBondContact O-N 2.66Å; N175-N179 PolarHBondContact O-N 3.42Å; N175-N179 PolarHBondContact O-OD1 2.99Å
176S84.2Confident84.3Confident48 Ų4884.4 Ų84.434%0.33640%0.404SS..Hα-helixtrans-68.7-37.3174.8-57.40000111.9S172 D173 V174 N179 R180S172-S176 WeakPolarHBondContact O-CB 3.36Å; S172-S176 PolarHBondContact O-N 2.89Å; S172-S176 PolarHBondContact O-OG 3.38Å; D173-S176 WeakPolarHBondContact O-CB 3.25Å; D173-S176 PolarHBondContact O-N 2.65Å; D173-S176 VanDerWaalsContact O-N 3.17Å; V174-S176 VanDerWaalsContact C-N 3.29Å; V174-S176 PolarHBondContact O-N 3.1Å; S176-N179 PolarHBondContact O-N 3.5Å; S176-R180 WeakPolarHBondContact O-CG 3.39Å; S176-R180 PolarHBondContact O-N 3.23Å; S176-R180 VanDerWaalsContact O-N 3.13Å
177A79.6Confident84.1Confident26 Ų2680 Ų8022%0.21539%0.392CS..Hα-helixtrans-67.3-40.9173.600000112D173 V174 R180 Y181D173-A177 PolarHBondContact O-N 3.03Å; V174-A177 PolarHBondContact O-N 2.94Å; A177-R180 PolarHBondContact O-N 2.95Å; A177-Y181 WeakPolarHBondContact O-CB 3.48Å; A177-Y181 PolarHBondContact O-N 3.18Å
178F83.7Confident83.8Confident112 Ų11284.7 Ų84.749%0.49141%0.41SS..Hα-helixtrans-61.1-43172.9-81.1-57.7000112.4V174 N175 Y181 Y182V174-F178 HydrophobicContact CG1-CD2 3.73Å; V174-F178 HydrophobicContact CG1-CE2 3.47Å; V174-F178 VanDerWaalsContact CG1-CE2 3.47Å; V174-F178 VanDerWaalsContact O-CD2 3.25Å; V174-F178 WeakPolarHBondContact O-CD2 3.36Å; V174-F178 PolarHBondContact O-N 2.87Å; N175-F178 PolarHBondContact O-N 2.66Å; F178-Y181 WeakPolarHBondContact O-CB 3.19Å; F178-Y181 PolarHBondContact O-N 3.03Å; F178-Y182 HydrophobicContact CB-CE2 4.34Å; F178-Y182 WeakPolarHBondContact O-CD2 3.37Å; F178-Y182 PolarHBondContact O-N 2.95Å
179N85Confident83.6Confident83 Ų8384.1 Ų84.144%0.44441%0.408SS..Hα-helixtrans-58.9-50.9175.6-71.6-1000111.2N175 S176 Y181 Y182 D183N175-N179 PolarHBondContact O-N 3.42Å; N175-N179 PolarHBondContact O-OD1 2.99Å; S176-N179 PolarHBondContact O-N 3.5Å; N179-Y181 PolarHBondContact O-N 3.33Å; N179-Y182 PolarHBondContact O-N 3.18Å; N179-D183 PolarHBondContact O-N 3.37Å
180R80.4Confident83.4Confident140 Ų14082 Ų8253%0.52840%0.404SS..Hα-helixtrans-57.2-36.1175.9-67176.9-159.1-178.96112.9S176 A177 A184S176-R180 WeakPolarHBondContact O-CG 3.39Å; S176-R180 PolarHBondContact O-N 3.23Å; S176-R180 VanDerWaalsContact O-N 3.13Å; A177-R180 PolarHBondContact O-N 2.95Å; R180-A184 VanDerWaalsContact O-CB 3.23Å; R180-A184 WeakPolarHBondContact O-CB 3.33Å; R180-A184 PolarHBondContact O-N 3.26Å
181Y80.4Confident83.2Confident124 Ų12483.9 Ų83.949%0.48641%0.412SS..Hα-helixtrans-66.4-41.7176.1-178.6-93.7000112P148 A177 F178 N179 V185P148-Y181 HydrophobicContact CB-CD2 4.02Å; A177-Y181 WeakPolarHBondContact O-CB 3.48Å; A177-Y181 PolarHBondContact O-N 3.18Å; F178-Y181 WeakPolarHBondContact O-CB 3.19Å; F178-Y181 PolarHBondContact O-N 3.03Å; N179-Y181 PolarHBondContact O-N 3.33Å; Y181-V185 HydrophobicContact CD1-CG2 4.2Å; Y181-V185 HydrophobicContact CE1-CG2 3.76Å; Y181-V185 HydrophobicContact CE2-CG2 4.29Å; Y181-V185 WeakPolarHBondContact O-CB 3.18Å; Y181-V185 VanDerWaalsContact O-CG2 3.26Å; Y181-V185 WeakPolarHBondContact O-CG2 3.47Å; Y181-V185 PolarHBondContact O-N 3.45Å
182Y85Confident83.1Confident141 Ų14181 Ų8155%0.55340%0.401SS*.Hα-helixtrans-64.8-46.4173.2-67.8-60.6000111.7F178 N179 A184 V185 D186F178-Y182 HydrophobicContact CB-CE2 4.34Å; F178-Y182 WeakPolarHBondContact O-CD2 3.37Å; F178-Y182 PolarHBondContact O-N 2.95Å; N179-Y182 PolarHBondContact O-N 3.18Å; Y182-A184 VanDerWaalsContact C-N 3.31Å; Y182-A184 PolarHBondContact O-N 3.14Å; Y182-V185 PolarHBondContact O-N 2.92Å; Y182-V185 VanDerWaalsContact O-N 3.16Å; Y182-D186 PolarHBondContact O-N 3.4Å
183D81.6Confident83Confident104 Ų10481.2 Ų81.256%0.55640%0.399SS*.Hα-helixtrans-55.8-46.1176.6-59.7-32.1000110.9N179 A187N179-D183 PolarHBondContact O-N 3.37Å; D183-A187 VanDerWaalsContact O-CB 3.27Å; D183-A187 WeakPolarHBondContact O-CB 3.34Å; D183-A187 PolarHBondContact O-N 3.04Å
184A79Confident82.9Confident16 Ų1679.4 Ų79.413%0.13239%0.387CS..Hα-helixtrans-67.3-36.4177.700000113.4N146 R180 Y182 H188N146-A184 HydrophobicContact CB-CB 4.36Å; N146-A184 WeakPolarHBondContact O-CB 3.48Å; R180-A184 VanDerWaalsContact O-CB 3.23Å; R180-A184 WeakPolarHBondContact O-CB 3.33Å; R180-A184 PolarHBondContact O-N 3.26Å; Y182-A184 VanDerWaalsContact C-N 3.31Å; Y182-A184 PolarHBondContact O-N 3.14Å; A184-H188 VanDerWaalsContact O-CB 3.3Å; A184-H188 WeakPolarHBondContact O-CB 3.3Å; A184-H188 PolarHBondContact O-N 3.03Å
185V83.6Confident83.1Confident42 Ų4280.7 Ų80.726%0.25539%0.393SS..Hα-helixtrans-69-42176.7164.10000111.6Y181 Y182 H188 R189Y181-V185 HydrophobicContact CD1-CG2 4.2Å; Y181-V185 HydrophobicContact CE1-CG2 3.76Å; Y181-V185 HydrophobicContact CE2-CG2 4.29Å; Y181-V185 WeakPolarHBondContact O-CB 3.18Å; Y181-V185 VanDerWaalsContact O-CG2 3.26Å; Y181-V185 WeakPolarHBondContact O-CG2 3.47Å; Y181-V185 PolarHBondContact O-N 3.45Å; Y182-V185 PolarHBondContact O-N 2.92Å; Y182-V185 VanDerWaalsContact O-N 3.16Å; V185-H188 PolarHBondContact O-N 2.84Å; V185-R189 WeakPolarHBondContact O-CG 3.45Å; V185-R189 PolarHBondContact O-N 3.44Å
186D84.2Confident83.1Confident86 Ų8680.2 Ų80.246%0.4639%0.39SS..Hα-helixtrans-72.1-37.6178-77.1-26.2000111.9Y182 H188 R189 E190Y182-D186 PolarHBondContact O-N 3.4Å; D186-H188 VanDerWaalsContact C-N 3.34Å; D186-H188 PolarHBondContact O-N 3.18Å; D186-R189 WeakPolarHBondContact O-CB 3.39Å; D186-R189 PolarHBondContact O-N 3.01Å; D186-R189 VanDerWaalsContact O-N 3.17Å; D186-R189 VanDerWaalsContact OD1-CD 3.25Å; D186-R189 WeakPolarHBondContact OD1-CD 2.99Å; D186-R189 IonicContact OD1-CZ 3.15Å; D186-R189 IonicContact OD1-NE 3.56Å; D186-R189 IonicContact OD1-NH1 3.33Å; D186-R189 PolarHBondContact OD1-NH1 3.22Å; D186-E190 PolarHBondContact O-N 3.23Å
187A80.2Confident83Confident23 Ų2383.1 Ų83.119%0.1940%0.397CS..Hα-helixtrans-59.7-43168.600000111.6W141 D183 R189 E190 K191W141-A187 WeakPolarHBondContact CH2-O 3.35Å; W141-A187 HydrophobicContact CZ3-CB 3.95Å; W141-A187 WeakPolarHBondContact CZ3-O 3.4Å; D183-A187 VanDerWaalsContact O-CB 3.27Å; D183-A187 WeakPolarHBondContact O-CB 3.34Å; D183-A187 PolarHBondContact O-N 3.04Å; A187-R189 VanDerWaalsContact C-N 3.31Å; A187-R189 PolarHBondContact O-N 3.23Å; A187-E190 PolarHBondContact O-N 3.14Å; A187-K191 PolarHBondContact O-N 3.28Å
188H82.1Confident83.4Confident116 Ų11682.5 Ų82.554%0.53739%0.39SS..Hα-helixtrans-67.5-28.8176.3-161.7-46.1000112.8A184 V185 D186 K191 V192A184-H188 VanDerWaalsContact O-CB 3.3Å; A184-H188 WeakPolarHBondContact O-CB 3.3Å; A184-H188 PolarHBondContact O-N 3.03Å; V185-H188 PolarHBondContact O-N 2.84Å; D186-H188 VanDerWaalsContact C-N 3.34Å; D186-H188 PolarHBondContact O-N 3.18Å; H188-K191 WeakPolarHBondContact O-CB 3.26Å; H188-V192 WeakPolarHBondContact O-CG2 3.35Å; H188-V192 PolarHBondContact O-N 2.64Å; H188-V192 VanDerWaalsContact O-N 3.12Å
189R85.8Confident83.6Confident157 Ų15780.6 Ų80.659%0.59239%0.387SS*.Hα-helixtrans-66.5-44.7171.2-75.1160.9164.5173.5-2.9111.4V185 D186 A187 K191 V192 V193V185-R189 WeakPolarHBondContact O-CG 3.45Å; V185-R189 PolarHBondContact O-N 3.44Å; D186-R189 WeakPolarHBondContact O-CB 3.39Å; D186-R189 PolarHBondContact O-N 3.01Å; D186-R189 VanDerWaalsContact O-N 3.17Å; D186-R189 VanDerWaalsContact OD1-CD 3.25Å; D186-R189 WeakPolarHBondContact OD1-CD 2.99Å; D186-R189 IonicContact OD1-CZ 3.15Å; D186-R189 IonicContact OD1-NE 3.56Å; D186-R189 IonicContact OD1-NH1 3.33Å; D186-R189 PolarHBondContact OD1-NH1 3.22Å; A187-R189 VanDerWaalsContact C-N 3.31Å; A187-R189 PolarHBondContact O-N 3.23Å; R189-K191 VanDerWaalsContact C-N 3.35Å; R189-K191 PolarHBondContact O-N 3.43Å; R189-V192 PolarHBondContact O-N 2.73Å; R189-V193 PolarHBondContact O-N 3.06Å; R189-V193 VanDerWaalsContact O-N 3.12Å
190E82.1Confident83.6Confident111 Ų11178.3 Ų78.352%0.51938%0.38SS..Hα-helixtrans-59.9-44.7174.5-173.9165-149.900111.3D186 A187 V192 V193 H194D186-E190 PolarHBondContact O-N 3.23Å; A187-E190 PolarHBondContact O-N 3.14Å; E190-V192 VanDerWaalsContact C-N 3.31Å; E190-V192 PolarHBondContact O-N 3.17Å; E190-V193 WeakPolarHBondContact O-CB 3.33Å; E190-V193 PolarHBondContact O-N 3.27Å; E190-V193 VanDerWaalsContact O-N 3.12Å; E190-H194 PolarHBondContact O-CD2 2.62Å; E190-H194 PolarHBondContact O-N 2.91Å
191K82.5Confident83.7Confident49 Ų4973.3 Ų73.321%0.21337%0.366CS..Hα-helixtrans-52.9-45.5172.8-167.7-179.2-171.71770113W141 A187 H188 R189 H194 L195W141-K191 HydrophobicContact CB-CD 4.5Å; W141-K191 HydrophobicContact CD2-CB 4.15Å; W141-K191 HydrophobicContact CD2-CD 3.53Å; W141-K191 HydrophobicContact CD2-CG 3.82Å; W141-K191 HydrophobicContact CE3-CB 4.08Å; W141-K191 HydrophobicContact CE3-CD 3.83Å; W141-K191 HydrophobicContact CE3-CG 4.2Å; W141-K191 HydrophobicContact CG-CD 3.8Å; W141-K191 HydrophobicContact CG-CG 4.37Å; W141-K191 HydrophobicContact CH2-CB 3.59Å; W141-K191 HydrophobicContact CH2-CG 4.26Å; W141-K191 HydrophobicContact CZ2-CB 3.6Å; W141-K191 HydrophobicContact CZ2-CD 4.45Å; W141-K191 HydrophobicContact CZ2-CG 3.82Å; W141-K191 HydrophobicContact CZ3-CB 3.81Å; W141-K191 HydrophobicContact CZ3-CD 4.43Å; W141-K191 HydrophobicContact CZ3-CG 4.41Å; A187-K191 PolarHBondContact O-N 3.28Å; H188-K191 WeakPolarHBondContact O-CB 3.26Å; R189-K191 VanDerWaalsContact C-N 3.35Å; R189-K191 PolarHBondContact O-N 3.43Å; K191-H194 PolarHBondContact O-N 3.47Å; K191-L195 HydrophobicContact CG-CD1 4.13Å; K191-L195 WeakPolarHBondContact O-CB 3.22Å; K191-L195 WeakPolarHBondContact O-CG 3.48Å; K191-L195 PolarHBondContact O-N 3.39Å
192V84.9Confident84.3Confident58 Ų5871.7 Ų71.735%0.35237%0.366SS..Hα-helixtrans-65.4-38.8180169.30000111.3H188 R189 E190 H194 L195 N196H188-V192 WeakPolarHBondContact O-CG2 3.35Å; H188-V192 PolarHBondContact O-N 2.64Å; H188-V192 VanDerWaalsContact O-N 3.12Å; R189-V192 PolarHBondContact O-N 2.73Å; E190-V192 VanDerWaalsContact C-N 3.31Å; E190-V192 PolarHBondContact O-N 3.17Å; V192-H194 VanDerWaalsContact C-N 3.34Å; V192-L195 PolarHBondContact O-N 3.25Å; V192-N196 WeakPolarHBondContact O-CB 3.32Å; V192-N196 VanDerWaalsContact O-CG 3.27Å; V192-N196 PolarHBondContact O-N 3.4Å
193V85.1Confident84.5Confident76 Ų7668 Ų6846%0.46135%0.354SS..Hα-helixtrans-64-39.7173.9172.30000111.4R189 E190 K197R189-V193 PolarHBondContact O-N 3.06Å; R189-V193 VanDerWaalsContact O-N 3.12Å; E190-V193 WeakPolarHBondContact O-CB 3.33Å; E190-V193 PolarHBondContact O-N 3.27Å; E190-V193 VanDerWaalsContact O-N 3.12Å; V193-K197 WeakPolarHBondContact O-CG 3.49Å; V193-K197 PolarHBondContact O-N 2.89Å
194H81.5Confident84.6Confident49 Ų4964.6 Ų64.623%0.22734%0.335CS..Hα-helixtrans-74-34.9178.5-81.3-110.1000113.2Y133 E190 K191 V192 K197 L198Y133-H194 HydrophobicContact CD1-CB 4.21Å; Y133-H194 AromaticContact CD1-ND1 3.43Å; Y133-H194 WeakPolarHBondContact CD1-ND1 3.37Å; Y133-H194 HydrophobicContact CE1-CB 3.69Å; Y133-H194 AromaticContact CE1-CE1 3.84Å; Y133-H194 AromaticContact CE1-CG 3.45Å; Y133-H194 VanDerWaalsContact CE1-CG 3.45Å; Y133-H194 AromaticContact CE1-ND1 2.97Å; Y133-H194 WeakPolarHBondContact CE1-ND1 3.35Å; Y133-H194 AromaticContact CE2-ND1 3.88Å; Y133-H194 AromaticContact CZ-CE1 3.61Å; Y133-H194 AromaticContact CZ-CG 3.89Å; Y133-H194 AromaticContact CZ-ND1 3.23Å; E190-H194 PolarHBondContact O-CD2 2.62Å; E190-H194 PolarHBondContact O-N 2.91Å; K191-H194 PolarHBondContact O-N 3.47Å; V192-H194 VanDerWaalsContact C-N 3.34Å; H194-K197 PolarHBondContact NE2-NZ 3.36Å; H194-K197 PolarHBondContact O-N 2.74Å; H194-L198 PolarHBondContact O-N 3.15Å
195L87.2Confident85.1Confident52 Ų5264.2 Ų64.227%0.27233%0.332SS..Hα-helixtrans-63.9-45.8170.3-80169.8000112.2Y134 K191 V192 K197 L198 V199Y134-L195 HydrophobicContact CD2-CD2 3.89Å; Y134-L195 HydrophobicContact CE2-CD2 3.57Å; Y134-L195 HydrophobicContact CE2-CG 4.46Å; K191-L195 HydrophobicContact CG-CD1 4.13Å; K191-L195 WeakPolarHBondContact O-CB 3.22Å; K191-L195 WeakPolarHBondContact O-CG 3.48Å; K191-L195 PolarHBondContact O-N 3.39Å; V192-L195 PolarHBondContact O-N 3.25Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.84Å; L195-L198 PolarHBondContact O-N 3.24Å; L195-L198 VanDerWaalsContact O-N 3.12Å; L195-V199 WeakPolarHBondContact O-CG2 3.35Å; L195-V199 PolarHBondContact O-N 3.07Å
196N86.3Confident85.4Confident71 Ų7164.2 Ų64.238%0.3834%0.341SS..Hα-helixtrans-60-38.1176.9-71.9-13.1000111.8V192 A200V192-N196 WeakPolarHBondContact O-CB 3.32Å; V192-N196 VanDerWaalsContact O-CG 3.27Å; V192-N196 PolarHBondContact O-N 3.4Å; N196-A200 PolarHBondContact O-N 2.75Å; N196-A200 VanDerWaalsContact O-N 3.15Å
197K82.7Confident85.4Confident109 Ų10961.3 Ų61.347%0.47433%0.325SS..Hα-helixtrans-63.7-44172.9-69.6167.9-171.41680112.2V193 H194 L195 A200 C201V193-K197 WeakPolarHBondContact O-CG 3.49Å; V193-K197 PolarHBondContact O-N 2.89Å; H194-K197 PolarHBondContact NE2-NZ 3.36Å; H194-K197 PolarHBondContact O-N 2.74Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.84Å; K197-A200 PolarHBondContact O-N 3.16Å; K197-C201 PolarHBondContact O-N 3.47Å; K197-C201 VanDerWaalsContact O-N 3.07Å; K197-C201 PolarHBondContact O-SG 3.02Å
198L88.2Confident85.9Confident14 Ų1462.5 Ų62.57%0.07333%0.326CS..Hα-helixtrans-63.6-42.3178.4174.660.5000111.7A130 V131 Y134 H194 L195 C201 L202A130-L198 HydrophobicContact CB-CD1 3.93Å; V131-L198 HydrophobicContact CG2-CD1 3.75Å; Y134-L198 HydrophobicContact CD1-CD2 3.81Å; Y134-L198 HydrophobicContact CG-CD2 3.77Å; H194-L198 PolarHBondContact O-N 3.15Å; L195-L198 PolarHBondContact O-N 3.24Å; L195-L198 VanDerWaalsContact O-N 3.12Å; L198-C201 PolarHBondContact O-N 3.11Å; L198-L202 HydrophobicContact CD1-CD1 3.94Å; L198-L202 HydrophobicContact CD1-CG 4.05Å; L198-L202 HydrophobicContact CG-CD1 3.85Å; L198-L202 HydrophobicContact CG-CG 4.42Å; L198-L202 WeakPolarHBondContact O-CG 3.49Å; L198-L202 PolarHBondContact O-N 3.3Å
199V88.8Confident86.3Confident71 Ų7162.4 Ų62.443%0.4332%0.321SS..Hα-helixtrans-58-52.5175.91690000110.4L195 C201 L202 E203L195-V199 WeakPolarHBondContact O-CG2 3.35Å; L195-V199 PolarHBondContact O-N 3.07Å; V199-C201 VanDerWaalsContact C-N 3.3Å; V199-C201 PolarHBondContact O-N 2.94Å; V199-L202 PolarHBondContact O-N 2.74Å; V199-E203 HydrophobicContact CG1-CG 4.28Å; V199-E203 WeakPolarHBondContact CG1-OE2 3.38Å; V199-E203 WeakPolarHBondContact O-CG 3.29Å; V199-E203 PolarHBondContact O-N 3.28Å
200A83.9Confident86.5Confident36 Ų3660.1 Ų60.130%0.29832%0.32SS..Hα-helixtrans-58.6-37.5177.200000113.5N196 K197 E203 L204N196-A200 PolarHBondContact O-N 2.75Å; N196-A200 VanDerWaalsContact O-N 3.15Å; K197-A200 PolarHBondContact O-N 3.16Å; A200-E203 WeakPolarHBondContact CA-OE2 3.33Å; A200-L204 WeakPolarHBondContact O-CB 3.45Å; A200-L204 PolarHBondContact O-N 2.85Å; A200-L204 VanDerWaalsContact O-N 3.07Å
201C83.6Confident86.7Confident35 Ų3555.3 Ų55.324%0.23630%0.299CS..Hα-helixtrans-67.3-39.2174.4-67.80000112.9L127 K197 L198 V199 A205L127-C201 HydrophobicContact CD1-CB 3.86Å; K197-C201 PolarHBondContact O-N 3.47Å; K197-C201 VanDerWaalsContact O-N 3.07Å; K197-C201 PolarHBondContact O-SG 3.02Å; L198-C201 PolarHBondContact O-N 3.11Å; V199-C201 VanDerWaalsContact C-N 3.3Å; V199-C201 PolarHBondContact O-N 2.94Å; C201-A205 WeakPolarHBondContact O-CB 3.25Å; C201-A205 PolarHBondContact O-N 3.04Å
202L91.6Very high87Confident90 Ų9056.8 Ų56.847%0.47131%0.306SS..Hα-helixtrans-70.1-39.2178.4-74.7166.4000111.7L127 L198 V199 A205 G206L127-L202 HydrophobicContact CD1-CD2 3.96Å; L127-L202 HydrophobicContact CD1-CG 4.24Å; L198-L202 HydrophobicContact CD1-CD1 3.94Å; L198-L202 HydrophobicContact CD1-CG 4.05Å; L198-L202 HydrophobicContact CG-CD1 3.85Å; L198-L202 HydrophobicContact CG-CG 4.42Å; L198-L202 WeakPolarHBondContact O-CG 3.49Å; L198-L202 PolarHBondContact O-N 3.3Å; V199-L202 PolarHBondContact O-N 2.74Å; L202-A205 WeakPolarHBondContact O-CB 3.36Å; L202-A205 PolarHBondContact O-N 3.22Å; L202-G206 PolarHBondContact O-N 3.19Å
203E88.7Confident87.1Confident64 Ų6456 Ų5630%0.29931%0.309SS..Hα-helixtrans-65.5-43.9176.3-71.1171.8128.300111.7V92 V199 A200 A205 G206 I207V92-E203 HydrophobicContact CB-CB 4.2Å; V92-E203 HydrophobicContact CG1-CB 3.72Å; V92-E203 HydrophobicContact CG1-CG 4.18Å; V92-E203 HydrophobicContact CG2-CB 3.42Å; V92-E203 VanDerWaalsContact CG2-CB 3.42Å; V92-E203 HydrophobicContact CG2-CG 4.17Å; V92-E203 WeakPolarHBondContact CG2-OE2 3.35Å; V199-E203 HydrophobicContact CG1-CG 4.28Å; V199-E203 WeakPolarHBondContact CG1-OE2 3.38Å; V199-E203 WeakPolarHBondContact O-CG 3.29Å; V199-E203 PolarHBondContact O-N 3.28Å; A200-E203 WeakPolarHBondContact CA-OE2 3.33Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 3.41Å; E203-G206 PolarHBondContact O-N 3.46Å; E203-G206 VanDerWaalsContact O-N 3.16Å; E203-I207 PolarHBondContact O-N 2.87Å; E203-I207 VanDerWaalsContact O-N 3.11Å
204L84.9Confident87.2Confident32 Ų3257.5 Ų57.517%0.16831%0.311CS..Hα-helixtrans-63.7-37.1173.1-172.962.4000112L118 F122 A200 G206 I207 F208L118-L204 HydrophobicContact CB-CD1 3.97Å; L118-L204 HydrophobicContact CD2-CD1 3.58Å; L118-L204 HydrophobicContact CG-CD1 4.43Å; F122-L204 HydrophobicContact CB-CD2 4.22Å; F122-L204 HydrophobicContact CB-CG 4.15Å; F122-L204 HydrophobicContact CD2-CD2 4.33Å; F122-L204 HydrophobicContact CD2-CG 4.07Å; A200-L204 WeakPolarHBondContact O-CB 3.45Å; A200-L204 PolarHBondContact O-N 2.85Å; A200-L204 VanDerWaalsContact O-N 3.07Å; L204-G206 VanDerWaalsContact C-N 3.34Å; L204-I207 PolarHBondContact O-N 2.98Å; L204-F208 WeakPolarHBondContact O-CB 3.44Å; L204-F208 PolarHBondContact O-N 3.04Å
205A88.9Confident87.6Confident7 Ų759.3 Ų59.36%0.05832%0.32CS..Hα-helixtrans-63.4-40.1172.500000111.7F122 L127 C201 L202 E203 F208 Y209F122-A205 HydrophobicContact CD2-CB 4.42Å; F122-A205 HydrophobicContact CE2-CB 3.54Å; F122-A205 HydrophobicContact CZ-CB 3.97Å; L127-A205 HydrophobicContact CD2-CB 3.76Å; C201-A205 WeakPolarHBondContact O-CB 3.25Å; C201-A205 PolarHBondContact O-N 3.04Å; L202-A205 WeakPolarHBondContact O-CB 3.36Å; L202-A205 PolarHBondContact O-N 3.22Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 3.41Å; A205-F208 PolarHBondContact O-N 3.26Å; A205-Y209 HydrophobicContact CB-CD2 4.25Å; A205-Y209 HydrophobicContact CB-CE2 4.33Å; A205-Y209 WeakPolarHBondContact O-CB 3.41Å; A205-Y209 WeakPolarHBondContact O-CD2 2.97Å; A205-Y209 PolarHBondContact O-N 2.87Å
206G90Very high87.8Confident43 Ų4359.3 Ų59.344%0.44333%0.327SS..Hα-helixtrans-58.8-47.1176.200000112.2L202 E203 L204 L210L202-G206 PolarHBondContact O-N 3.19Å; E203-G206 PolarHBondContact O-N 3.46Å; E203-G206 VanDerWaalsContact O-N 3.16Å; L204-G206 VanDerWaalsContact C-N 3.34Å; G206-L210 VanDerWaalsContact O-CB 3.24Å; G206-L210 WeakPolarHBondContact O-CB 3.46Å; G206-L210 PolarHBondContact O-N 3.05Å
207I85.5Confident88.1Confident24 Ų2459.6 Ų59.612%0.12334%0.335CS..Hα-helixtrans-59-53.5173.6-64.2165.3000110V92 Y115 E203 L204 Y209 L210 T211V92-I207 HydrophobicContact CG1-CD1 4.43Å; Y115-I207 HydrophobicContact CE2-CG2 3.99Å; E203-I207 PolarHBondContact O-N 2.87Å; E203-I207 VanDerWaalsContact O-N 3.11Å; L204-I207 PolarHBondContact O-N 2.98Å; I207-Y209 PolarHBondContact O-N 3.07Å; I207-L210 PolarHBondContact O-N 2.89Å; I207-T211 PolarHBondContact O-N 2.83Å; I207-T211 PolarHBondContact O-OG1 3Å
208F89.4Confident88.5Confident49 Ų4960.3 Ų60.322%0.21534%0.341CS..Hα-helixtrans-56.9-48.9-177.7177.2-90.3000113.2L119 F122 L204 A205 T211 Q212L119-F208 HydrophobicContact CD2-CB 4.24Å; L119-F208 HydrophobicContact CD2-CD2 3.9Å; L119-F208 HydrophobicContact CD2-CG 4.49Å; F122-F208 HydrophobicContact CB-CB 4.33Å; F122-F208 HydrophobicContact CB-CD2 4.1Å; F122-F208 HydrophobicContact CB-CG 4.36Å; F122-F208 HydrophobicContact CD1-CB 3.81Å; F122-F208 AromaticContact CD1-CD1 3.54Å; F122-F208 HydrophobicContact CD1-CD1 3.54Å; F122-F208 AromaticContact CD1-CD2 3.46Å; F122-F208 HydrophobicContact CD1-CD2 3.46Å; F122-F208 VanDerWaalsContact CD1-CD2 3.46Å; F122-F208 AromaticContact CD1-CE1 3.94Å; F122-F208 HydrophobicContact CD1-CE1 3.94Å; F122-F208 AromaticContact CD1-CE2 3.87Å; F122-F208 HydrophobicContact CD1-CE2 3.87Å; F122-F208 AromaticContact CD1-CG 3.28Å; F122-F208 HydrophobicContact CD1-CG 3.28Å; F122-F208 HydrophobicContact CD1-CZ 4.1Å; F122-F208 HydrophobicContact CD2-CB 4.42Å; F122-F208 HydrophobicContact CE1-CB 4.23Å; F122-F208 AromaticContact CE1-CD1 3.43Å; F122-F208 HydrophobicContact CE1-CD1 3.43Å; F122-F208 VanDerWaalsContact CE1-CD1 3.43Å; F122-F208 HydrophobicContact CE1-CD2 4.24Å; F122-F208 AromaticContact CE1-CE1 3.79Å; F122-F208 HydrophobicContact CE1-CE1 3.79Å; F122-F208 AromaticContact CE1-CG 3.7Å; F122-F208 HydrophobicContact CE1-CG 3.7Å; F122-F208 HydrophobicContact CE1-CZ 4.33Å; F122-F208 HydrophobicContact CG-CB 3.9Å; F122-F208 HydrophobicContact CG-CD1 4.47Å; F122-F208 HydrophobicContact CG-CD2 4.04Å; F122-F208 AromaticContact CG-CG 3.88Å; F122-F208 HydrophobicContact CG-CG 3.88Å; F122-F208 HydrophobicContact CZ-CD1 4.32Å; L204-F208 WeakPolarHBondContact O-CB 3.44Å; L204-F208 PolarHBondContact O-N 3.04Å; A205-F208 PolarHBondContact O-N 3.26Å; F208-T211 PolarHBondContact O-N 3.13Å; F208-Q212 HydrophobicContact CD1-CG 4.24Å; F208-Q212 HydrophobicContact CE1-CG 3.79Å; F208-Q212 HydrophobicContact CE2-CG 4.32Å; F208-Q212 HydrophobicContact CZ-CG 3.83Å; F208-Q212 WeakPolarHBondContact O-CG 3.43Å; F208-Q212 PolarHBondContact O-N 3.33Å
209Y91.3Very high88.8Confident114 Ų11463.4 Ų63.445%0.44736%0.36SS..Hα-helixtrans-71.4-31.1-178.5-75.2-61.8000112.8F122 A205 I207 G213F122-Y209 HydrophobicContact CZ-CE2 4.15Å; A205-Y209 HydrophobicContact CB-CD2 4.25Å; A205-Y209 HydrophobicContact CB-CE2 4.33Å; A205-Y209 WeakPolarHBondContact O-CB 3.41Å; A205-Y209 WeakPolarHBondContact O-CD2 2.97Å; A205-Y209 PolarHBondContact O-N 2.87Å; I207-Y209 PolarHBondContact O-N 3.07Å; Y209-G213 PolarHBondContact O-N 3.15Å
210L89.1Confident89Confident109 Ų10963.3 Ų63.357%0.57136%0.362SS*.Hα-helixtrans-65.6-43.8171.2-176.363.5000111.3G206 I207 G213 H214G206-L210 VanDerWaalsContact O-CB 3.24Å; G206-L210 WeakPolarHBondContact O-CB 3.46Å; G206-L210 PolarHBondContact O-N 3.05Å; I207-L210 PolarHBondContact O-N 2.89Å; L210-G213 PolarHBondContact O-N 3Å; L210-H214 PolarHBondContact O-CD2 3.04Å; L210-H214 PolarHBondContact O-N 3.31Å
211T86.5Confident89.5Confident10 Ų1064.3 Ų64.36%0.06137%0.37CS..Hα-helixtrans-58.9-49.9174.4-45.10000111.3Y115 L119 I207 F208 G213 H214 E215Y115-T211 HydrophobicContact CE1-CG2 3.95Å; Y115-T211 PolarHBondContact OH-OG1 3.25Å; L119-T211 HydrophobicContact CD1-CG2 4Å; L119-T211 HydrophobicContact CD2-CG2 4.4Å; I207-T211 PolarHBondContact O-N 2.83Å; I207-T211 PolarHBondContact O-OG1 3Å; F208-T211 PolarHBondContact O-N 3.13Å; T211-G213 VanDerWaalsContact C-N 3.28Å; T211-G213 PolarHBondContact O-N 2.97Å; T211-H214 PolarHBondContact O-N 3.4Å; T211-H214 VanDerWaalsContact O-N 3.15Å; T211-E215 PolarHBondContact O-N 2.97Å
212Q89Confident90.1Very high80 Ų8065.5 Ų65.537%0.37438%0.383SS..Hα-helixtrans-62.7-33.4178.3-69.2-65.6-80.400112.5F208 E215 A216F208-Q212 HydrophobicContact CD1-CG 4.24Å; F208-Q212 HydrophobicContact CE1-CG 3.79Å; F208-Q212 HydrophobicContact CE2-CG 4.32Å; F208-Q212 HydrophobicContact CZ-CG 3.83Å; F208-Q212 WeakPolarHBondContact O-CG 3.43Å; F208-Q212 PolarHBondContact O-N 3.33Å; Q212-E215 VanDerWaalsContact NE2-CD 3.34Å; Q212-E215 PolarHBondContact NE2-OE2 3.2Å; Q212-A216 VanDerWaalsContact O-CB 3.25Å; Q212-A216 WeakPolarHBondContact O-CB 3.37Å; Q212-A216 PolarHBondContact O-N 3.34Å
213G86.5Confident90.3Very high40 Ų4068.6 Ų68.641%0.41239%0.39SS..Hα-helixtrans-64.1-43.617200000113Y209 L210 T211 S217Y209-G213 PolarHBondContact O-N 3.15Å; L210-G213 PolarHBondContact O-N 3Å; T211-G213 VanDerWaalsContact C-N 3.28Å; T211-G213 PolarHBondContact O-N 2.97Å; G213-S217 VanDerWaalsContact O-CB 3.27Å; G213-S217 WeakPolarHBondContact O-CB 3.3Å; G213-S217 PolarHBondContact O-N 2.96Å
214H86.9Confident90.7Very high109 Ų10970.2 Ų70.251%0.50540%0.397SS..Hα-helixtrans-66.7-41.9174.5-70.4-57.6000112.6L210 T211 S217 M218L210-H214 PolarHBondContact O-CD2 3.04Å; L210-H214 PolarHBondContact O-N 3.31Å; T211-H214 PolarHBondContact O-N 3.4Å; T211-H214 VanDerWaalsContact O-N 3.15Å; H214-S217 PolarHBondContact O-N 3.47Å; H214-M218 WeakPolarHBondContact O-CG 3.49Å; H214-M218 PolarHBondContact O-N 2.9Å
215E90Very high91.2Very high87 Ų8771.3 Ų71.341%0.40741%0.407SS..Hα-helixtrans-60.2-48.1174.2-73.7175.7-158.900111.5T211 Q212 S217 M218 V219T211-E215 PolarHBondContact O-N 2.97Å; Q212-E215 VanDerWaalsContact NE2-CD 3.34Å; Q212-E215 PolarHBondContact NE2-OE2 3.2Å; E215-S217 PolarHBondContact O-N 3.12Å; E215-M218 HydrophobicContact CG-CE 4.42Å; E215-M218 PolarHBondContact O-N 3.43Å; E215-V219 WeakPolarHBondContact O-CG2 3.16Å; E215-V219 PolarHBondContact O-N 3.27Å
216A92.5Very high91.6Very high52 Ų5275.9 Ų75.943%0.4343%0.426SS..Hα-helixtrans-61.4-42.9176.100000112Q212 M218 V219 C220Q212-A216 VanDerWaalsContact O-CB 3.25Å; Q212-A216 WeakPolarHBondContact O-CB 3.37Å; Q212-A216 PolarHBondContact O-N 3.34Å; A216-M218 PolarHBondContact O-N 2.93Å; A216-V219 PolarHBondContact O-N 3.07Å; A216-C220 WeakPolarHBondContact O-CB 3.19Å; A216-C220 PolarHBondContact O-N 2.86Å; A216-C220 PolarHBondContact O-SG 2.91Å; A216-C220 VanDerWaalsContact O-SG 3.34Å
217S92.4Very high91.9Very high77 Ų7774.8 Ų74.854%0.53842%0.415SS..Hα-helixtrans-60.5-44.9176.6-179.20000112.2G213 H214 E215 V219 C220 A221G213-S217 VanDerWaalsContact O-CB 3.27Å; G213-S217 WeakPolarHBondContact O-CB 3.3Å; G213-S217 PolarHBondContact O-N 2.96Å; H214-S217 PolarHBondContact O-N 3.47Å; E215-S217 PolarHBondContact O-N 3.12Å; S217-V219 VanDerWaalsContact C-N 3.33Å; S217-V219 PolarHBondContact O-N 3.27Å; S217-C220 PolarHBondContact O-N 3Å; S217-A221 WeakPolarHBondContact O-CB 3.01Å; S217-A221 PolarHBondContact O-N 3.24Å
218M91.5Very high92.4Very high124 Ų12477.9 Ų77.961%0.61143%0.429SS*.Hα-helixtrans-62.5-39.2174.6-71.7-173.8-66.300112.4H214 E215 A216 A222H214-M218 WeakPolarHBondContact O-CG 3.49Å; H214-M218 PolarHBondContact O-N 2.9Å; E215-M218 HydrophobicContact CG-CE 4.42Å; E215-M218 PolarHBondContact O-N 3.43Å; A216-M218 PolarHBondContact O-N 2.93Å; M218-A222 WeakPolarHBondContact O-CB 3.04Å; M218-A222 PolarHBondContact O-N 3.27Å
219V93.4Very high92.8Very high78 Ų7883.1 Ų83.147%0.47345%0.447SS..Hα-helixtrans-66-45.6175.81690000111.2E215 A216 S217 A221 A222 Y223E215-V219 WeakPolarHBondContact O-CG2 3.16Å; E215-V219 PolarHBondContact O-N 3.27Å; A216-V219 PolarHBondContact O-N 3.07Å; S217-V219 VanDerWaalsContact C-N 3.33Å; S217-V219 PolarHBondContact O-N 3.27Å; V219-A221 PolarHBondContact O-N 2.95Å; V219-A222 PolarHBondContact O-N 2.9Å; V219-Y223 HydrophobicContact CG1-CD2 3.67Å; V219-Y223 HydrophobicContact CG1-CE2 3.6Å; V219-Y223 VanDerWaalsContact O-CD2 3.28Å; V219-Y223 WeakPolarHBondContact O-CD2 3.34Å; V219-Y223 PolarHBondContact O-N 2.93Å
220C94.6Very high93.1Very high70 Ų7080.7 Ų80.747%0.47344%0.441SS..Hα-helixtrans-61-42.8175.8-70.90000112.1A216 S217 A222 Y223 H224A216-C220 WeakPolarHBondContact O-CB 3.19Å; A216-C220 PolarHBondContact O-N 2.86Å; A216-C220 PolarHBondContact O-SG 2.91Å; A216-C220 VanDerWaalsContact O-SG 3.34Å; S217-C220 PolarHBondContact O-N 3Å; C220-A222 PolarHBondContact O-N 3.27Å; C220-Y223 PolarHBondContact O-N 3.44Å; C220-H224 PolarHBondContact O-N 3.12Å
221A93.1Very high93.4Very high56 Ų5677.9 Ų77.946%0.46343%0.434SS..Hα-helixtrans-62.9-40.9174.600000112.3S217 V219 Y223 H224 S225S217-A221 WeakPolarHBondContact O-CB 3.01Å; S217-A221 PolarHBondContact O-N 3.24Å; V219-A221 PolarHBondContact O-N 2.95Å; A221-Y223 PolarHBondContact O-N 3.12Å; A221-H224 PolarHBondContact O-N 2.89Å; A221-S225 PolarHBondContact O-N 3.48Å
222A95.6Very high93.8Very high61 Ų6181.6 Ų81.650%0.50445%0.454SS..Hα-helixtrans-64.9-37.6175.400000112.6M218 V219 C220 F226M218-A222 WeakPolarHBondContact O-CB 3.04Å; M218-A222 PolarHBondContact O-N 3.27Å; V219-A222 PolarHBondContact O-N 2.9Å; C220-A222 PolarHBondContact O-N 3.27Å; A222-F226 WeakPolarHBondContact O-CB 3.4Å; A222-F226 PolarHBondContact O-N 3.42Å
223Y97.3Very high94.2Very high155 Ų15582.8 Ų82.861%0.60846%0.46SS*.Hα-helixtrans-68.9-38.9172.1-84.5-66.6000112.5V219 C220 A221 F226 G227V219-Y223 HydrophobicContact CG1-CD2 3.67Å; V219-Y223 HydrophobicContact CG1-CE2 3.6Å; V219-Y223 VanDerWaalsContact O-CD2 3.28Å; V219-Y223 WeakPolarHBondContact O-CD2 3.34Å; V219-Y223 PolarHBondContact O-N 2.93Å; C220-Y223 PolarHBondContact O-N 3.44Å; A221-Y223 PolarHBondContact O-N 3.12Å; Y223-F226 WeakPolarHBondContact O-CB 3.45Å; Y223-F226 PolarHBondContact O-N 2.84Å; Y223-G227 PolarHBondContact O-N 3.25Å
224H95.9Very high94.6Very high97 Ų9784.2 Ų84.245%0.44946%0.464SS..Hα-helixtrans-58.5-55174.7-171.2-84.3000110.7C220 A221 F226 G227 E228C220-H224 PolarHBondContact O-N 3.12Å; A221-H224 PolarHBondContact O-N 2.89Å; H224-F226 PolarHBondContact O-N 2.97Å; H224-G227 CarbonylContact O-C 3.45Å; H224-G227 WeakPolarHBondContact O-CA 3.26Å; H224-G227 PolarHBondContact O-N 3.1Å; H224-E228 IonicContact CE1-OE1 3.1Å; H224-E228 PolarHBondContact CE1-OE1 2.93Å; H224-E228 IonicContact CE1-OE2 2.67Å; H224-E228 IonicContact ND1-OE1 2.65Å; H224-E228 IonicContact ND1-OE2 3.84Å; H224-E228 PolarHBondContact ND1-OE2 3.12Å; H224-E228 VanDerWaalsContact ND1-OE2 3.15Å; H224-E228 WeakPolarHBondContact O-CG 3.47Å; H224-E228 PolarHBondContact O-N 2.93Å
225S96.1Very high95Very high55 Ų5585.2 Ų85.239%0.38547%0.469SS..Hα-helixtrans-72.5-8.2177.9-62.30000114.6A221 E228 R229A221-S225 PolarHBondContact O-N 3.48Å; S225-E228 WeakPolarHBondContact CA-OE2 3.23Å; S225-E228 WeakPolarHBondContact CB-OE2 3.4Å; S225-E228 PolarHBondContact OG-OE2 3.07Å; S225-R229 WeakPolarHBondContact O-CG 3.39Å; S225-R229 PolarHBondContact O-NE 3.49Å; S225-R229 PolarHBondContact O-NH2 2.94Å
226F96.9Very high95.3Very high103 Ų10387.1 Ų87.145%0.45248%0.478SS..Hα-helixtrans-78.5-44.2161.4179.4-112.3000111.3A222 Y223 H224 R229 L230A222-F226 WeakPolarHBondContact O-CB 3.4Å; A222-F226 PolarHBondContact O-N 3.42Å; Y223-F226 WeakPolarHBondContact O-CB 3.45Å; Y223-F226 PolarHBondContact O-N 2.84Å; H224-F226 PolarHBondContact O-N 2.97Å; F226-R229 PolarHBondContact O-N 3.24Å; F226-L230 HydrophobicContact CD1-CD1 4.06Å; F226-L230 HydrophobicContact CE1-CD1 3.53Å; F226-L230 HydrophobicContact CE1-CG 4.19Å; F226-L230 HydrophobicContact CE2-CD2 4.43Å; F226-L230 HydrophobicContact CE2-CG 4.34Å; F226-L230 HydrophobicContact CZ-CD1 3.78Å; F226-L230 HydrophobicContact CZ-CD2 4.21Å; F226-L230 HydrophobicContact CZ-CG 4.07Å; F226-L230 PolarHBondContact O-N 3.31Å
227G97.2Very high95.3Very high21 Ų2188.3 Ų88.322%0.21648%0.482CS..Hα-helixtrans-58.8-43.7173.500000113.4Y223 H224 R229 L230 A231Y223-G227 PolarHBondContact O-N 3.25Å; H224-G227 CarbonylContact O-C 3.45Å; H224-G227 WeakPolarHBondContact O-CA 3.26Å; H224-G227 PolarHBondContact O-N 3.1Å; G227-R229 VanDerWaalsContact C-N 3.35Å; G227-R229 PolarHBondContact O-N 2.67Å; G227-L230 PolarHBondContact O-N 3.4Å; G227-A231 WeakPolarHBondContact O-CB 3.41Å; G227-A231 PolarHBondContact O-N 3.21Å
228E96.2Very high95.4Very high88 Ų8888.2 Ų88.241%0.41148%0.482SS..Hα-helixtrans-58.5-44.4174.1-67.3173.3121.100111.7H224 S225 A231 N232H224-E228 IonicContact CE1-OE1 3.1Å; H224-E228 PolarHBondContact CE1-OE1 2.93Å; H224-E228 IonicContact CE1-OE2 2.67Å; H224-E228 IonicContact ND1-OE1 2.65Å; H224-E228 IonicContact ND1-OE2 3.84Å; H224-E228 PolarHBondContact ND1-OE2 3.12Å; H224-E228 VanDerWaalsContact ND1-OE2 3.15Å; H224-E228 WeakPolarHBondContact O-CG 3.47Å; H224-E228 PolarHBondContact O-N 2.93Å; S225-E228 WeakPolarHBondContact CA-OE2 3.23Å; S225-E228 WeakPolarHBondContact CB-OE2 3.4Å; S225-E228 PolarHBondContact OG-OE2 3.07Å; E228-A231 PolarHBondContact O-N 3.14Å; E228-N232 VanDerWaalsContact O-CG 3.24Å; E228-N232 PolarHBondContact O-N 3.4Å; E228-N232 PolarHBondContact O-OD1 3.3Å
229R96.9Very high95.4Very high160 Ų16085.8 Ų85.860%0.60447%0.471SS*.Hα-helixtrans-67.3-37.1177.1-78.6177.5-70.4166.10.9112.6S225 F226 G227 M233S225-R229 WeakPolarHBondContact O-CG 3.39Å; S225-R229 PolarHBondContact O-NE 3.49Å; S225-R229 PolarHBondContact O-NH2 2.94Å; F226-R229 PolarHBondContact O-N 3.24Å; G227-R229 VanDerWaalsContact C-N 3.35Å; G227-R229 PolarHBondContact O-N 2.67Å; R229-M233 VanDerWaalsContact O-CB 3.23Å; R229-M233 WeakPolarHBondContact O-CB 3.27Å; R229-M233 PolarHBondContact O-N 3.45Å
230L97Very high95.4Very high62 Ų6287 Ų8733%0.32547%0.474SS..Hα-helixtrans-66.2-40172.9-72-178.3000111.9F226 G227 M233 S234F226-L230 HydrophobicContact CD1-CD1 4.06Å; F226-L230 HydrophobicContact CE1-CD1 3.53Å; F226-L230 HydrophobicContact CE1-CG 4.19Å; F226-L230 HydrophobicContact CE2-CD2 4.43Å; F226-L230 HydrophobicContact CE2-CG 4.34Å; F226-L230 HydrophobicContact CZ-CD1 3.78Å; F226-L230 HydrophobicContact CZ-CD2 4.21Å; F226-L230 HydrophobicContact CZ-CG 4.07Å; F226-L230 PolarHBondContact O-N 3.31Å; G227-L230 PolarHBondContact O-N 3.4Å; L230-M233 HydrophobicContact CD2-CE 3.82Å; L230-M233 PolarHBondContact O-N 3.12Å; L230-S234 WeakPolarHBondContact O-CB 3.44Å; L230-S234 PolarHBondContact O-N 3.25Å; L230-S234 PolarHBondContact O-OG 3.03Å
231A95.9Very high95.2Very high50 Ų5090 Ų9041%0.41349%0.485SS..Hα-helixtrans-61.3-53.3176.400000110.9G227 E228 M233 S234 E235G227-A231 WeakPolarHBondContact O-CB 3.41Å; G227-A231 PolarHBondContact O-N 3.21Å; E228-A231 PolarHBondContact O-N 3.14Å; A231-M233 VanDerWaalsContact C-N 3.32Å; A231-M233 PolarHBondContact O-N 2.94Å; A231-S234 PolarHBondContact O-N 3.35Å; A231-S234 PolarHBondContact O-OG 3.01Å; A231-E235 PolarHBondContact O-N 2.95Å
232N96Very high94.9Very high89 Ų8995.2 Ų95.248%0.47650%0.5SS..Hα-helixtrans-59-42.5177.8-62.93.5000111.7E228 S234 E235 E236E228-N232 VanDerWaalsContact O-CG 3.24Å; E228-N232 PolarHBondContact O-N 3.4Å; E228-N232 PolarHBondContact O-OD1 3.3Å; N232-S234 VanDerWaalsContact C-N 3.32Å; N232-S234 PolarHBondContact O-N 3.34Å; N232-E235 WeakPolarHBondContact O-CB 3.11Å; N232-E235 PolarHBondContact O-N 2.8Å; N232-E236 WeakPolarHBondContact O-CG 3.37Å; N232-E236 PolarHBondContact O-N 2.91Å
233M96.5Very high94.5Very high104 Ų10498.9 Ų98.951%0.51250%0.504SS..Hα-helixtrans-65.6-33.3176.3-171.9-179.572.300112.4R229 L230 A231 C237R229-M233 VanDerWaalsContact O-CB 3.23Å; R229-M233 WeakPolarHBondContact O-CB 3.27Å; R229-M233 PolarHBondContact O-N 3.45Å; L230-M233 HydrophobicContact CD2-CE 3.82Å; L230-M233 PolarHBondContact O-N 3.12Å; A231-M233 VanDerWaalsContact C-N 3.32Å; A231-M233 PolarHBondContact O-N 2.94Å; M233-C237 WeakPolarHBondContact O-CB 3.49Å; M233-C237 PolarHBondContact O-N 2.96Å; M233-C237 PolarHBondContact O-SG 3.22Å
234S95.9Very high93.5Very high70 Ų7095.1 Ų95.149%0.4950%0.5SS..Hα-helixtrans-71.4-32.5174.575.50000112.7L230 A231 N232 S238L230-S234 WeakPolarHBondContact O-CB 3.44Å; L230-S234 PolarHBondContact O-N 3.25Å; L230-S234 PolarHBondContact O-OG 3.03Å; A231-S234 PolarHBondContact O-N 3.35Å; A231-S234 PolarHBondContact O-OG 3.01Å; N232-S234 VanDerWaalsContact C-N 3.32Å; N232-S234 PolarHBondContact O-N 3.34Å; S234-S238 WeakPolarHBondContact O-CB 3.05Å; S234-S238 PolarHBondContact O-N 2.94Å; S234-S238 VanDerWaalsContact O-N 3.08Å; S234-S238 PolarHBondContact O-OG 3.29Å
235E94.8Very high92.5Very high130 Ų13096.1 Ų96.161%0.60752%0.515SS*.Hα-helixtrans-67.7-51.8171.1-170.2170.9-164.800110A231 N232 C237 S238 D239A231-E235 PolarHBondContact O-N 2.95Å; N232-E235 WeakPolarHBondContact O-CB 3.11Å; N232-E235 PolarHBondContact O-N 2.8Å; E235-C237 VanDerWaalsContact C-N 3.33Å; E235-C237 PolarHBondContact O-N 3.45Å; E235-S238 WeakPolarHBondContact O-CA 3.25Å; E235-S238 WeakPolarHBondContact O-CB 3.48Å; E235-S238 PolarHBondContact O-N 3.37Å; E235-D239 WeakPolarHBondContact O-CB 3.5Å; E235-D239 PolarHBondContact O-N 3.19Å
236E94.9Very high90.9Very high128 Ų12898.9 Ų98.960%0.59853%0.534SS*.Hα-helixtrans-54.2-44.1174.7-74.3179.2-164.200112.8N232 S238 D239 L240N232-E236 WeakPolarHBondContact O-CG 3.37Å; N232-E236 PolarHBondContact O-N 2.91Å; E236-S238 VanDerWaalsContact C-N 3.35Å; E236-S238 PolarHBondContact O-N 3.25Å; E236-D239 PolarHBondContact O-N 3.29Å; E236-L240 WeakPolarHBondContact O-CB 3.4Å; E236-L240 VanDerWaalsContact O-CG 3.25Å; E236-L240 WeakPolarHBondContact O-CG 3.27Å; E236-L240 PolarHBondContact O-N 2.89Å
237C93.8Very high89.4Confident77 Ų7799.5 Ų99.552%0.5255%0.546SS..Hα-helixtrans-64.3-36.3175.3-79.10000112.9M233 E235 L241M233-C237 WeakPolarHBondContact O-CB 3.49Å; M233-C237 PolarHBondContact O-N 2.96Å; M233-C237 PolarHBondContact O-SG 3.22Å; E235-C237 VanDerWaalsContact C-N 3.33Å; E235-C237 PolarHBondContact O-N 3.45Å; C237-L241 WeakPolarHBondContact O-CB 3.22Å; C237-L241 PolarHBondContact O-N 3.17Å
238S93.3Very high87.6Confident75 Ų75103.2 Ų103.252%0.52457%0.567SS.*Hα-helixtrans-69.6-44.1176-58.20000111.1S234 E235 E236 L240 L241 E242S234-S238 WeakPolarHBondContact O-CB 3.05Å; S234-S238 PolarHBondContact O-N 2.94Å; S234-S238 VanDerWaalsContact O-N 3.08Å; S234-S238 PolarHBondContact O-OG 3.29Å; E235-S238 WeakPolarHBondContact O-CA 3.25Å; E235-S238 WeakPolarHBondContact O-CB 3.48Å; E235-S238 PolarHBondContact O-N 3.37Å; E236-S238 VanDerWaalsContact C-N 3.35Å; E236-S238 PolarHBondContact O-N 3.25Å; S238-L240 VanDerWaalsContact C-N 3.3Å; S238-L240 PolarHBondContact O-N 2.9Å; S238-L241 WeakPolarHBondContact O-CB 3.39Å; S238-L241 PolarHBondContact O-N 2.85Å; S238-L241 VanDerWaalsContact O-N 3.13Å; S238-E242 PolarHBondContact O-N 3.16Å
239D92.6Very high85.8Confident73 Ų73105.1 Ų105.139%0.3959%0.586SS.*Hα-helixtrans-60.6-37.5175.5-122.146.5000111.9E235 E236 K243E235-D239 WeakPolarHBondContact O-CB 3.5Å; E235-D239 PolarHBondContact O-N 3.19Å; E236-D239 PolarHBondContact O-N 3.29Å; D239-K243 VanDerWaalsContact CG-NZ 3.33Å; D239-K243 WeakPolarHBondContact O-CD 3.42Å; D239-K243 VanDerWaalsContact O-CE 3.23Å; D239-K243 WeakPolarHBondContact O-CE 3.25Å; D239-K243 WeakPolarHBondContact O-CG 3.33Å; D239-K243 PolarHBondContact O-N 2.96Å; D239-K243 IonicContact OD2-NZ 3.59Å; D239-K243 PolarHBondContact OD2-NZ 2.92Å
240L92.1Very high83.5Confident102 Ų102103 Ų10353%0.53459%0.591SS.*Hα-helixtrans-74.1-35.1174.2-73.9169.7000112.2E236 S238 K243 C244E236-L240 WeakPolarHBondContact O-CB 3.4Å; E236-L240 VanDerWaalsContact O-CG 3.25Å; E236-L240 WeakPolarHBondContact O-CG 3.27Å; E236-L240 PolarHBondContact O-N 2.89Å; S238-L240 VanDerWaalsContact C-N 3.3Å; S238-L240 PolarHBondContact O-N 2.9Å; L240-K243 PolarHBondContact O-N 3.05Å; L240-C244 PolarHBondContact O-N 3.49Å; L240-C244 PolarHBondContact O-SG 2.96Å
241L90.5Very high81.2Confident134 Ų134106.6 Ų106.670%0.70261%0.611SS**Hα-helixtrans-66.3-37.6175.8-173.963.7000111.9C237 S238 C244C237-L241 WeakPolarHBondContact O-CB 3.22Å; C237-L241 PolarHBondContact O-N 3.17Å; S238-L241 WeakPolarHBondContact O-CB 3.39Å; S238-L241 PolarHBondContact O-N 2.85Å; S238-L241 VanDerWaalsContact O-N 3.13Å; L241-C244 PolarHBondContact O-N 3.39Å
242E88.2Confident78.8Confident166 Ų166113 Ų11378%0.77663%0.632SS**Hα-helixtrans-68-36.1172.8-173.9174.3-171.900112.4S238S238-E242 PolarHBondContact O-N 3.16Å
243K86.3Confident76.5Confident138 Ų138117.2 Ų117.260%0.665%0.646SS**Hα-helixtrans-77.3-19.1177.8-68.6160.9-158.1155.50113.5D239 L240D239-K243 VanDerWaalsContact CG-NZ 3.33Å; D239-K243 WeakPolarHBondContact O-CD 3.42Å; D239-K243 VanDerWaalsContact O-CE 3.23Å; D239-K243 WeakPolarHBondContact O-CE 3.25Å; D239-K243 WeakPolarHBondContact O-CG 3.33Å; D239-K243 PolarHBondContact O-N 2.96Å; D239-K243 IonicContact OD2-NZ 3.59Å; D239-K243 PolarHBondContact OD2-NZ 2.92Å; L240-K243 PolarHBondContact O-N 3.05Å
244C76Confident74.3Confident76 Ų76117.9 Ų117.951%0.51466%0.661SS.*SBendtrans-68.4130.4174.9-83.20000110.5L240 L241 S246L240-C244 PolarHBondContact O-N 3.49Å; L240-C244 PolarHBondContact O-SG 2.96Å; L241-C244 PolarHBondContact O-N 3.39Å; C244-S246 PolarHBondContact O-N 3.23Å
245P74.7Confident71.8Confident117 Ų117123.2 Ų123.276%0.7668%0.678SS**  trans-65.2110.2175.826.9-33.2000109.4V247P245-V247 PolarHBondContact O-N 2.65Å
246S62.9Low69.6Low114 Ų114123.4 Ų123.480%0.79769%0.689SS**  trans-50.6110.7174.7-179.90000109.9C244 P248C244-S246 PolarHBondContact O-N 3.23Å; S246-P248 VanDerWaalsContact O-CD 3.29Å; S246-P248 WeakPolarHBondContact O-CD 3.44Å; S246-P248 VanDerWaalsContact O-N 3.16Å
247V65.3Low67.1Low115 Ų115125.2 Ų125.270%0.69770%0.703SS**  trans-66.4114.2179-179.40000106.9P245P245-V247 PolarHBondContact O-N 2.65Å
248P60.9Low65.1Low100 Ų100125.2 Ų125.265%0.64972%0.716SS**  trans-61.4137.1-179.926.6-33.9000108.4S246 T250S246-P248 VanDerWaalsContact O-CD 3.29Å; S246-P248 WeakPolarHBondContact O-CD 3.44Å; S246-P248 VanDerWaalsContact O-N 3.16Å; P248-T250 PolarHBondContact O-N 2.81Å
249P56.9Low62.6Low127 Ų127131 Ų13183%0.82573%0.732SS**  trans-58.4111.5-170.621.9-33.4000110.6N251P249-N251 PolarHBondContact O-N 3.37Å; P249-N251 VanDerWaalsContact O-N 3.08Å
250T49.6Very low60.5Low116 Ų116133.3 Ų133.371%0.71275%0.752SS**  trans-60.1114.3-177.9-47.40000108.8P248 E252P248-T250 PolarHBondContact O-N 2.81Å; T250-E252 PolarHBondContact O-N 3.45Å
251N48.1Very low58.2Low138 Ų138135.1 Ų135.174%0.73876%0.763SS**  trans-7883.5-168.9-172.48.2000110.9P249 K253P249-N251 PolarHBondContact O-N 3.37Å; P249-N251 VanDerWaalsContact O-N 3.08Å; N251-K253 VanDerWaalsContact C-N 3.29Å; N251-K253 PolarHBondContact O-N 3.02Å
252E45.1Very low56.5Low184 Ų184134.2 Ų134.286%0.8677%0.767SS**  trans-67.376.9-177.7-65.3-162.6145.700113.1T250T250-E252 PolarHBondContact O-N 3.45Å
253K48Very low54.6Low177 Ų177132.3 Ų132.377%0.7777%0.769SS**  trans-141.865.2174.7-71.7-169175.4176.10113.3N251N251-K253 VanDerWaalsContact C-N 3.29Å; N251-K253 PolarHBondContact O-N 3.02Å
254S49.6Very low52.2Low118 Ų118134.8 Ų134.883%0.82578%0.783SS**  trans-177.895.6155.1-77.60000107.3
255Q43.7Very low51.1Low182 Ų182137.1 Ų137.185%0.8580%0.795SS**  53.692.165.1-164.3-177.16.700114.1
256T49.2Very low49.7Very low135 Ų135137.1 Ų137.183%0.82880%0.795SS**  -170.7155.9128.114.60000110.6
257D42.7Very low48.6Very low165 Ų165136.5 Ų136.588%0.88279%0.79SS**  trans-73.5136.4-169.4-55.2-101.9000114.2
258G51.2Low47.4Very low78 Ų78136.1 Ų136.180%0.80480%0.8SS**  trans-14670.9-177.800000113.2C260G258-C260 PolarHBondContact O-N 2.89Å
259K41.3Very low46.4Very low196 Ų196136.2 Ų136.285%0.85280%0.802SS**  trans-75.6113.6-176.3179.1174.51791720112.6
260C48.4Very low45.6Very low122 Ų122134.4 Ų134.482%0.82480%0.798SS**  trans-151.2132.6163.6-152.70000111.3G258G258-C260 PolarHBondContact O-N 2.89Å
261D42.9Very low45.2Very low140 Ų140134 Ų13475%0.74980%0.8SS**  trans-82.1135.5-178.9-66.3-78.4000112.1
262S55.5Low45Very low115 Ų115133.8 Ų133.880%0.80480%0.804SS**  trans-158.1150.8162.1-84.80000110.8
263P47.5Very low45.1Very low126 Ų126133.4 Ų133.482%0.81880%0.802SS**  trans-72.3139.9-158.526.2-34.8000114.6V265P263-V265 PolarHBondContact O-N 3.05Å
264Q37.9Very low45.7Very low189 Ų189132.7 Ų132.788%0.88380%0.801SS**  trans-69.7112.1-175.8-177179.33.800112.4
265V51.9Low46.5Very low125 Ų125131.3 Ų131.376%0.75878%0.784SS**  trans-93.5130.9163.6-1730000108.2P263 S267P263-V265 PolarHBondContact O-N 3.05Å; V265-S267 PolarHBondContact O-N 3.01Å
266P45.8Very low48.2Very low117 Ų117126.4 Ų126.476%0.7677%0.768SS**  trans-68.3102.6177.4-18.832.2000111.1A268P266-A268 PolarHBondContact O-N 3.23Å; P266-A268 VanDerWaalsContact O-N 3.15Å
267S38.8Very low49.4Very low101 Ų101124.1 Ų124.171%0.70675%0.754SS**  trans-67.5109.2169.3-177.70000108.9V265 S269V265-S267 PolarHBondContact O-N 3.01Å; S267-S269 PolarHBondContact O-N 3.21Å
268A40.9Very low50.8Low108 Ų108120.6 Ų120.689%0.89374%0.735SS**  trans-77.357.7-177.800000112.2P266P266-A268 PolarHBondContact O-N 3.23Å; P266-A268 VanDerWaalsContact O-N 3.15Å
269S38.9Very low51.8Low101 Ų101119.4 Ų119.471%0.70672%0.717SS**  trans-106.357.7173.353.70000109.9S267S267-S269 PolarHBondContact O-N 3.21Å
270A40.4Very low53.5Low89 Ų89116.7 Ų116.774%0.73671%0.707SS**  trans-84.6123.816800000108.6V272A270-V272 PolarHBondContact O-N 2.96Å
271S41.4Very low54.8Low108 Ų108116.6 Ų116.676%0.75570%0.695SS**  trans-61.3121.9169.345.90000109.4E273S271-E273 VanDerWaalsContact C-N 3.27Å; S271-E273 PolarHBondContact O-N 3.13Å
272V44.8Very low56.3Low134 Ų134113.7 Ų113.781%0.81268%0.679SS**  trans-7292166.5177.90000106.9A270 E274A270-V272 PolarHBondContact O-N 2.96Å; V272-E274 PolarHBondContact O-N 3.39Å; V272-E274 VanDerWaalsContact O-N 3.12Å
273E47.4Very low57.4Low176 Ų176115.4 Ų115.482%0.82267%0.672SS**  trans-70.598.8169.3-169.9168.1-171.100107.1S271 D275S271-E273 VanDerWaalsContact C-N 3.27Å; S271-E273 PolarHBondContact O-N 3.13Å; E273-D275 PolarHBondContact O-N 2.9Å
274E59Low58.9Low161 Ų161112.3 Ų112.375%0.75266%0.657SS**  trans-58.2124178.6-65.5-173.5120.900109.6V272 P276V272-E274 PolarHBondContact O-N 3.39Å; V272-E274 VanDerWaalsContact O-N 3.12Å; E274-P276 VanDerWaalsContact O-CD 3.25Å; E274-P276 WeakPolarHBondContact O-CD 3.24Å
275D66.2Low60.5Low89 Ų89107.4 Ų107.448%0.47664%0.64SS.*  trans-57.6114-177.6179.2-3.6000109.9E273 V277 L278 A279E273-D275 PolarHBondContact O-N 2.9Å; D275-V277 PolarHBondContact O-N 3.37Å; D275-V277 VanDerWaalsContact O-N 3.13Å; D275-V277 VanDerWaalsContact OD1-CB 3.25Å; D275-V277 WeakPolarHBondContact OD1-CB 3.47Å; D275-V277 WeakPolarHBondContact OD1-CG2 3.47Å; D275-V277 PolarHBondContact OD1-N 2.89Å; D275-L278 HydrophobicContact CB-CB 4.06Å; D275-L278 PolarHBondContact O-N 3.19Å; D275-A279 PolarHBondContact O-N 2.92Å
276P79.9Confident61.5Low79 Ų79105.7 Ų105.751%0.51363%0.625SS.*Hα-helixtrans-65-19.8-177.327.2-35.1000112.1E274 Q280E274-P276 VanDerWaalsContact O-CD 3.25Å; E274-P276 WeakPolarHBondContact O-CD 3.24Å; P276-Q280 VanDerWaalsContact O-CB 3.28Å; P276-Q280 WeakPolarHBondContact O-CB 3.11Å; P276-Q280 WeakPolarHBondContact O-CG 3.18Å; P276-Q280 PolarHBondContact O-N 3.07Å
277V75.6Confident62.9Low87 Ų87103.2 Ų103.253%0.52761%0.611SS.*Hα-helixtrans-71.3-43.9172.6-174.10000110.4D275 Q280 Q281D275-V277 PolarHBondContact O-N 3.37Å; D275-V277 VanDerWaalsContact O-N 3.13Å; D275-V277 VanDerWaalsContact OD1-CB 3.25Å; D275-V277 WeakPolarHBondContact OD1-CB 3.47Å; D275-V277 WeakPolarHBondContact OD1-CG2 3.47Å; D275-V277 PolarHBondContact OD1-N 2.89Å; V277-Q280 PolarHBondContact O-N 2.73Å; V277-Q281 WeakPolarHBondContact O-CG 3.22Å; V277-Q281 PolarHBondContact O-N 3.32Å
278L71.9Confident64.5Low92 Ų92101.1 Ų101.148%0.48260%0.6SS.*Hα-helixtrans-66.8-43.6177.3-174.462.3000111.3D275 Q280 Q281 I282D275-L278 HydrophobicContact CB-CB 4.06Å; D275-L278 PolarHBondContact O-N 3.19Å; L278-Q280 VanDerWaalsContact C-N 3.31Å; L278-Q280 PolarHBondContact O-N 3.05Å; L278-Q281 PolarHBondContact O-N 3.49Å; L278-I282 HydrophobicContact CD1-CD1 4.37Å; L278-I282 HydrophobicContact CG-CD1 4.06Å; L278-I282 WeakPolarHBondContact O-CG1 3.35Å; L278-I282 PolarHBondContact O-N 3.05Å
279A71.7Confident65.6Low52 Ų5298.9 Ų98.943%0.4357%0.572SS.*Hα-helixtrans-60.5-39.6174.400000112.1D275 K283D275-A279 PolarHBondContact O-N 2.92Å; A279-K283 VanDerWaalsContact O-CB 3.29Å; A279-K283 WeakPolarHBondContact O-CB 3.27Å; A279-K283 PolarHBondContact O-N 2.96Å
280Q77Confident66.8Low139 Ų139103.3 Ų103.365%0.6557%0.573SS**Hα-helixtrans-68.6-38.9173.6-7717640.900112.9P276 V277 L278 K283 A284P276-Q280 VanDerWaalsContact O-CB 3.28Å; P276-Q280 WeakPolarHBondContact O-CB 3.11Å; P276-Q280 WeakPolarHBondContact O-CG 3.18Å; P276-Q280 PolarHBondContact O-N 3.07Å; V277-Q280 PolarHBondContact O-N 2.73Å; L278-Q280 VanDerWaalsContact C-N 3.31Å; L278-Q280 PolarHBondContact O-N 3.05Å; Q280-K283 PolarHBondContact O-N 3.38Å; Q280-A284 VanDerWaalsContact O-CB 3.29Å; Q280-A284 WeakPolarHBondContact O-CB 3.35Å; Q280-A284 PolarHBondContact O-N 3.43Å
281Q74.7Confident67.9Low121 Ų121105.9 Ų105.957%0.56557%0.567SS**Hα-helixtrans-62.5-48.5174.7-80.2-173.4-16.500111.9V277 L278 K283 A284 V285V277-Q281 WeakPolarHBondContact O-CG 3.22Å; V277-Q281 PolarHBondContact O-N 3.32Å; L278-Q281 PolarHBondContact O-N 3.49Å; Q281-K283 VanDerWaalsContact C-N 3.31Å; Q281-K283 PolarHBondContact O-N 3.04Å; Q281-A284 PolarHBondContact O-N 3.42Å; Q281-A284 VanDerWaalsContact O-N 3.14Å; Q281-V285 WeakPolarHBondContact O-CG2 3.49Å; Q281-V285 PolarHBondContact O-N 2.68Å
282I76.3Confident68.5Low79 Ų79107.7 Ų107.741%0.40556%0.564SS.*Hα-helixtrans-58.8-45.4177-67.1166.1000110L278 A284 V285 L286L278-I282 HydrophobicContact CD1-CD1 4.37Å; L278-I282 HydrophobicContact CG-CD1 4.06Å; L278-I282 WeakPolarHBondContact O-CG1 3.35Å; L278-I282 PolarHBondContact O-N 3.05Å; I282-A284 VanDerWaalsContact C-N 3.33Å; I282-A284 PolarHBondContact O-N 3.17Å; I282-V285 PolarHBondContact O-N 3.04Å; I282-L286 HydrophobicContact CG2-CD1 3.95Å; I282-L286 WeakPolarHBondContact O-CG 3.4Å; I282-L286 PolarHBondContact O-N 3.48Å
283K78.1Confident69Low151 Ų151108.7 Ų108.766%0.65756%0.56SS**Hα-helixtrans-64.4-35177.1-169.9169.2-175.7170.80113A279 Q280 Q281 S287A279-K283 VanDerWaalsContact O-CB 3.29Å; A279-K283 WeakPolarHBondContact O-CB 3.27Å; A279-K283 PolarHBondContact O-N 2.96Å; Q280-K283 PolarHBondContact O-N 3.38Å; Q281-K283 VanDerWaalsContact C-N 3.31Å; Q281-K283 PolarHBondContact O-N 3.04Å; K283-S287 VanDerWaalsContact O-CB 3.27Å; K283-S287 WeakPolarHBondContact O-CB 3.38Å; K283-S287 PolarHBondContact O-N 2.92Å; K283-S287 PolarHBondContact O-OG 2.92Å
284A78Confident69.3Low61 Ų61106.9 Ų106.950%0.50456%0.556SS.*Hα-helixtrans-69.3-43.5175.800000111.9Q280 Q281 I282 S287 A288Q280-A284 VanDerWaalsContact O-CB 3.29Å; Q280-A284 WeakPolarHBondContact O-CB 3.35Å; Q280-A284 PolarHBondContact O-N 3.43Å; Q281-A284 PolarHBondContact O-N 3.42Å; Q281-A284 VanDerWaalsContact O-N 3.14Å; I282-A284 VanDerWaalsContact C-N 3.33Å; I282-A284 PolarHBondContact O-N 3.17Å; A284-S287 PolarHBondContact O-N 3.26Å; A284-A288 PolarHBondContact O-N 3.49Å
285V72.8Confident68.9Low86 Ų86103.9 Ų103.952%0.52155%0.545SS..Hα-helixtrans-60.7-49.9175171.60000110.9Q281 I282 S287 A288 M289Q281-V285 WeakPolarHBondContact O-CG2 3.49Å; Q281-V285 PolarHBondContact O-N 2.68Å; I282-V285 PolarHBondContact O-N 3.04Å; V285-S287 PolarHBondContact O-N 3.48Å; V285-A288 WeakPolarHBondContact O-CB 3.36Å; V285-A288 PolarHBondContact O-N 2.92Å; V285-M289 HydrophobicContact CG1-SD 4.11Å; V285-M289 WeakPolarHBondContact O-CG 3.44Å; V285-M289 PolarHBondContact O-N 2.91Å
286L72Confident68.3Low88 Ų88108.4 Ų108.446%0.46156%0.563SS.*Hα-helixtrans-61.8-32.5177.3-67.4171000112.8I282 R290I282-L286 HydrophobicContact CG2-CD1 3.95Å; I282-L286 WeakPolarHBondContact O-CG 3.4Å; I282-L286 PolarHBondContact O-N 3.48Å; L286-R290 PolarHBondContact O-N 3.05Å
287S76Confident66.8Low66 Ų66109 Ų10946%0.46257%0.574SS.*Hα-helixtrans-77.8-19.7175.6-56.90000113.7K283 A284 V285K283-S287 VanDerWaalsContact O-CB 3.27Å; K283-S287 WeakPolarHBondContact O-CB 3.38Å; K283-S287 PolarHBondContact O-N 2.92Å; K283-S287 PolarHBondContact O-OG 2.92Å; A284-S287 PolarHBondContact O-N 3.26Å; V285-S287 PolarHBondContact O-N 3.48Å
288A71.7Confident65.4Low57 Ų57109.7 Ų109.747%0.47158%0.579SS.*Hα-helixtrans-80-47.9171.200000110.5A284 V285 R290 K291 E292A284-A288 PolarHBondContact O-N 3.49Å; V285-A288 WeakPolarHBondContact O-CB 3.36Å; V285-A288 PolarHBondContact O-N 2.92Å; A288-R290 PolarHBondContact O-N 2.98Å; A288-K291 WeakPolarHBondContact O-CA 3.5Å; A288-K291 WeakPolarHBondContact O-CB 3.45Å; A288-K291 PolarHBondContact O-N 3.37Å; A288-E292 PolarHBondContact O-N 3.09Å
289M63.2Low64.2Low60 Ų60112.2 Ų112.230%0.29659%0.593SS.*Hα-helixtrans-57.4-45.1178.8-67.1177.172.200112.3V285 K291 E292 E293V285-M289 HydrophobicContact CG1-SD 4.11Å; V285-M289 WeakPolarHBondContact O-CG 3.44Å; V285-M289 PolarHBondContact O-N 2.91Å; M289-K291 PolarHBondContact O-N 2.86Å; M289-K291 VanDerWaalsContact O-N 3.14Å; M289-E292 WeakPolarHBondContact O-CB 3.29Å; M289-E292 PolarHBondContact O-N 2.89Å; M289-E293 PolarHBondContact O-N 2.83Å
290R65.5Low62.9Low195 Ų195117.9 Ų117.974%0.73661%0.613SS**Hα-helixtrans-63.5-16.5174.5-84.7-166.5-175.9-177.23.4115L286 A288L286-R290 PolarHBondContact O-N 3.05Å; A288-R290 PolarHBondContact O-N 2.98Å
291K62.3Low61.4Low142 Ų142119.9 Ų119.962%0.61762%0.622SS**Hα-helixtrans-89.4-19.7171.6-75.6-177.7171.6-173.60112.4A288 M289 N295A288-K291 WeakPolarHBondContact O-CA 3.5Å; A288-K291 WeakPolarHBondContact O-CB 3.45Å; A288-K291 PolarHBondContact O-N 3.37Å; M289-K291 PolarHBondContact O-N 2.86Å; M289-K291 VanDerWaalsContact O-N 3.14Å; K291-N295 WeakPolarHBondContact O-CB 3.47Å; K291-N295 PolarHBondContact O-N 3.14Å; K291-N295 PolarHBondContact O-ND2 3.17Å
292E54.9Low60Low146 Ų146121.1 Ų121.168%0.68263%0.631SS**Hα-helixtrans-74.4-43.5-179.7-152.9154.1-152.500110.2A288 M289 D294 N295 E296A288-E292 PolarHBondContact O-N 3.09Å; M289-E292 WeakPolarHBondContact O-CB 3.29Å; M289-E292 PolarHBondContact O-N 2.89Å; E292-D294 VanDerWaalsContact C-N 3.31Å; E292-D294 PolarHBondContact O-N 2.93Å; E292-N295 PolarHBondContact O-N 2.93Å; E292-E296 PolarHBondContact O-N 3.04Å
293E54.9Low58.8Low156 Ų156125.8 Ų125.873%0.72965%0.651SS**Hα-helixtrans-54.9-40.9169.3-83.9-177.9127.200113.1M289 N295M289-E293 PolarHBondContact O-N 2.83Å; E293-N295 VanDerWaalsContact C-N 3.3Å; E293-N295 PolarHBondContact O-N 2.71Å
294D53.7Low57.5Low138 Ų138127.8 Ų127.874%0.73866%0.663SS**THydrogen-bonded Turntrans-76.5-10.3178.1-86.2-19.5000113.7E292E292-D294 VanDerWaalsContact C-N 3.31Å; E292-D294 PolarHBondContact O-N 2.93Å
295N51.8Low56.2Low97 Ų97133.4 Ų133.452%0.51968%0.678SS.*THydrogen-bonded Turntrans-111-5.9-178.1-81.1-83.5000114.5K291 E292 E293 A297 V298K291-N295 WeakPolarHBondContact O-CB 3.47Å; K291-N295 PolarHBondContact O-N 3.14Å; K291-N295 PolarHBondContact O-ND2 3.17Å; E292-N295 PolarHBondContact O-N 2.93Å; E293-N295 VanDerWaalsContact C-N 3.3Å; E293-N295 PolarHBondContact O-N 2.71Å; N295-A297 PolarHBondContact O-N 2.88Å; N295-V298 PolarHBondContact O-N 3.48Å
296E52.3Low54.9Low184 Ų184137 Ų13786%0.8669%0.69SS**THydrogen-bonded Turntrans-67.8-2.9177.2-137.7177.1-157.900113.6E292E292-E296 PolarHBondContact O-N 3.04Å
297A48.9Very low53.7Low91 Ų91142 Ų14275%0.75271%0.711SS**THydrogen-bonded Turntrans-99.911.1175.100000114.5N295 D299N295-A297 PolarHBondContact O-N 2.88Å; A297-D299 PolarHBondContact O-N 2.94Å
298V46.1Very low52.4Low102 Ų102147.5 Ų147.562%0.61873%0.729SS**  trans-86.490.6172.2-176.40000109.5N295 M300N295-V298 PolarHBondContact O-N 3.48Å; V298-M300 PolarHBondContact O-N 3.21Å
299D45.7Very low51Low146 Ų146152.7 Ų152.778%0.78174%0.743SS**  trans-51.3122.8164.9-84.3-52.4000109.7A297 E301A297-D299 PolarHBondContact O-N 2.94Å; D299-E301 PolarHBondContact O-N 3.37Å
300M46.2Very low50Low171 Ų171162 Ų16284%0.84278%0.775SS**  trans-74.883.9159.9-75.6-166.9-64.600107.9V298 I302V298-M300 PolarHBondContact O-N 3.21Å; M300-I302 PolarHBondContact O-N 3.5Å
301E44.6Very low48.6Very low181 Ų181156.5 Ų156.585%0.84678%0.779SS**  trans-56.194.2157.3-71.1-169.9142.200107.7D299 E303D299-E301 PolarHBondContact O-N 3.37Å; E301-E303 PolarHBondContact O-N 2.92Å; E301-E303 VanDerWaalsContact O-N 3.13Å
302I45.5Very low47.2Very low147 Ų147155.9 Ų155.975%0.75479%0.793SS**  trans-67.8109.8168.1-70.4176.2000105.9M300 E304M300-I302 PolarHBondContact O-N 3.5Å; I302-E304 PolarHBondContact O-N 3.13Å
303E50.6Low46Very low176 Ų176154.7 Ų154.782%0.82280%0.801SS**  trans-58101.2174.7-66.9178.4125.400109.4E301 E305E301-E303 PolarHBondContact O-N 2.92Å; E301-E303 VanDerWaalsContact O-N 3.13Å; E303-E305 PolarHBondContact O-N 2.9Å
304E51.1Low44.9Very low194 Ų194156.4 Ų156.491%0.90781%0.806SS**  trans-76.565.2175.5-165.4169.6-143.700109.5I302 E306I302-E304 PolarHBondContact O-N 3.13Å; E304-E306 PolarHBondContact O-N 3.42Å
305E50.1Low44Very low178 Ų178154.9 Ų154.983%0.83280%0.802SS**  trans-72.685.5-169.8-163.7-175.7-149.100112.8E303 E307E303-E305 PolarHBondContact O-N 2.9Å; E305-E307 PolarHBondContact O-N 2.95Å
306E46Very low43.1Very low163 Ų163155.5 Ų155.576%0.76281%0.814SS**  trans40.559.6153.1-60.8-163143.100118.5E304 E308E304-E306 PolarHBondContact O-N 3.42Å; E306-E308 PolarHBondContact O-N 3.23Å
307E47.4Very low42.3Very low193 Ų193152.6 Ų152.690%0.90281%0.808SS**  trans-74.215.5163.6-148176.2-157.500113.4E305 Q309E305-E307 PolarHBondContact O-N 2.95Å; E307-Q309 VanDerWaalsContact C-N 3.31Å; E307-Q309 PolarHBondContact O-N 3.44Å
308E48Very low41.7Very low180 Ų180152.8 Ų152.884%0.84181%0.81SS**THydrogen-bonded Turntrans-88.832.7-179.9-148.9-176.7-135.200114E306E306-E308 PolarHBondContact O-N 3.23Å
309Q42.5Very low41.3Very low166 Ų166159.1 Ų159.178%0.77682%0.823SS**THydrogen-bonded Turntrans-146.620.8-179-131.2129.5123.100118.8E307E307-Q309 VanDerWaalsContact C-N 3.31Å; E307-Q309 PolarHBondContact O-N 3.44Å
310R41.3Very low40.7Very low255 Ų255155.9 Ų155.996%0.96282%0.823SS**SBendtrans-129.646.9175.8-69-168.7175.3-129.3-0.6115.6
311G36.5Very low40.1Very low80 Ų80154.2 Ų154.283%0.82582%0.823SS**SBendtrans-117.9-21.2-177.900000118.4
312S33.1Very low40Very low130 Ų130152.4 Ų152.491%0.90982%0.824SS**  trans-119.965.2-167.4-165.50000113.8
313S30.7Very low39.8Very low120 Ų120150.7 Ų150.784%0.83982%0.823SS**  trans-147.571.3171.2-166.50000111.4
314F30.1Very low39.4Very low192 Ų192148.2 Ų148.284%0.84282%0.822SS**  trans-106.3132.2163.5-171.5-99.1000110S316F314-S316 PolarHBondContact O-N 3.18Å
315V36.5Very low38.7Very low107 Ų107145.1 Ų145.165%0.64882%0.816SS**  trans-75.898.4-171.3-177.10000110.7V317V315-V317 HydrophobicContact CG1-CG2 3.96Å; V315-V317 PolarHBondContact O-N 3.29Å
316S32.9Very low38.3Very low110 Ų110142.2 Ų142.277%0.76982%0.816SS**  trans-6888.7169.8-72.90000111.3F314 A318F314-S316 PolarHBondContact O-N 3.18Å; S316-A318 PolarHBondContact O-N 3.04Å
317V33.5Very low37.9Very low123 Ų123138.1 Ų138.175%0.74582%0.817SS**  trans-71.675.7171.9-174.80000110V315 R319V315-V317 HydrophobicContact CG1-CG2 3.96Å; V315-V317 PolarHBondContact O-N 3.29Å; V317-R319 PolarHBondContact O-N 2.84Å
318A36.4Very low37.6Very low95 Ų95135.1 Ų135.179%0.78581%0.814SS**  trans-72.593.4177.100000110.8S316S316-A318 PolarHBondContact O-N 3.04Å
319R38Very low37.3Very low235 Ų235132.7 Ų132.789%0.88782%0.817SS**PPolyproline II helixtrans-66.9131.4166.3-94.6-177.4167.1161.8-2.6110.1V317V317-R319 PolarHBondContact O-N 2.84Å
320G33.5Very low37.2Very low77 Ų77129 Ų12979%0.79482%0.815SS**PPolyproline II helixtrans-65.3145.2-176.500000114.5
321T33.7Very low37.5Very low137 Ų137123.7 Ų123.784%0.8481%0.811SS**PPolyproline II helixtrans-75.5147.2174.547.10000113.4
322V41.7Very low37.8Very low142 Ų142125.4 Ų125.486%0.86181%0.807SS**  trans-134139150-173.60000108.2
323P41.9Very low37.9Very low112 Ų112127 Ų12773%0.72781%0.805SS**  trans-113.2-170.6-157.344.5-32.4000113.6
324P41.6Very low38.5Very low123 Ų123125.1 Ų125.180%0.79980%0.797SS**  trans-103.4168.6-159.540.4-36.2000116.1
325T38.3Very low39Very low130 Ų130124.7 Ų124.780%0.79880%0.797SS**  trans-138112.2175.9-58.10000113.3
326S41.2Very low39.2Very low117 Ų117127.9 Ų127.982%0.81881%0.807SS**  trans31.1135.6153.868.20000123.3
327G37.1Very low40Very low76 Ų76130.8 Ų130.878%0.78481%0.81SS**  trans16784.3154.400000115.4
328P40.3Very low40.8Very low130 Ų130131 Ų13184%0.84481%0.814SS**  trans-89.1143.3-179.834.8-33.2000113.2
329S42.6Very low41.5Very low129 Ų129132 Ų13290%0.90281%0.813SS**  trans-153.2146.2155.5-167.10000109.5
330A41.2Very low41.8Very low90 Ų90132 Ų13274%0.74481%0.813SS**  trans-128.5135.2-163.300000113.3
331V47.6Very low42.2Very low142 Ų142137.2 Ų137.286%0.86182%0.819SS**  trans-145.8124.9157.2-165.70000108.8
332P41.1Very low43Very low117 Ų117137 Ų13776%0.7682%0.817SS**  trans-96.3167.6171.737.5-34000112.4
333L37.2Very low43.6Very low164 Ų164135 Ų13586%0.85981%0.807SS**  154.2156.9127.8-168.558.7000113
334A41.9Very low44.2Very low80 Ų80135 Ų13566%0.66181%0.807SS**  trans65.8103.9174.300000116.2
335Q40.6Very low44.5Very low182 Ų182135.7 Ų135.785%0.8581%0.809SS**  68.8111.165.1-66-175.6-1100115.4
336M41Very low44.9Very low175 Ų175139.4 Ų139.486%0.86281%0.81SS**  -176.2119.2115.2-97.3-178105.800113.8
337M49.3Very low45.6Very low170 Ų170139.5 Ų139.584%0.83781%0.808SS**  trans42.3127.1149.1-62.1-165.4164.700123.7
338P49.8Very low45.8Very low127 Ų127142.9 Ų142.983%0.82581%0.808SS**  trans-104.6148.6162.638.3-31.1000114.4
339P52.1Low45.9Very low117 Ų117145.5 Ų145.576%0.7681%0.809SS**  trans-131.9157.615238-26.2000111.9
340R44.8Very low45.7Very low234 Ų234149.1 Ų149.188%0.88380%0.803SS**  cis-161.1146.3-12.7-113.8-178.7178.2-167.5-1.2106.1
341M40.8Very low46Very low188 Ų188155.5 Ų155.593%0.92681%0.807SS**  trans-71.3151.3170.3-69.1-176.874.500111.6
342V50.5Low46.4Very low131 Ų131155.1 Ų155.179%0.79481%0.808SS**  trans-120.4129.9168.6-178.90000107.5
343P54.8Low47Very low101 Ų101158.1 Ų158.166%0.65681%0.814SS**  trans-80.9154.7-179.733.3-35.3000112.2
344P53.9Low48.2Very low113 Ų113155.6 Ų155.673%0.73481%0.807SS**  trans-70150.1170.331.1-34.9000111.4
345V48.7Very low49.1Very low137 Ų137157.4 Ų157.483%0.8381%0.813SS**  trans-109.2125.7178.3177.50000109.5
346Y47.6Very low50.1Low207 Ų207154.9 Ų154.981%0.81281%0.812SS**  trans-91133.2173.9-77-90.8000111.4N348Y346-N348 PolarHBondContact O-N 3.33Å
347P54.8Low50.7Low120 Ų120151.3 Ų151.378%0.77981%0.81SS**  trans-81.4114.7169.330.9-31.3000112.1
348N41.6Very low50.4Low146 Ų146152.4 Ų152.478%0.78181%0.813SS**  trans5.7133.6160.8-60.3-27.6000121.2Y346Y346-N348 PolarHBondContact O-N 3.33Å
349Q41.9Very low50.9Low186 Ų186152.2 Ų152.287%0.86981%0.812SS**  trans-69.8135.6160.5-63.3172.8-8.900111.3
350W37.6Very low50.7Low205 Ų205156.4 Ų156.478%0.77782%0.819SS**  trans-87.8140.4170.8-7087000111.6
351R48.3Very low50.4Low223 Ų223151.5 Ų151.584%0.84282%0.817SS**  trans-115.7136.5165-69.2-176.2-177.9-114.90.9109
352P56.9Low50.8Low135 Ų135147.4 Ų147.488%0.87781%0.813SS**  trans-62.4142.9169.1-20.633000111.3
353M52.3Low50.4Low180 Ų180150.4 Ų150.489%0.88782%0.818SS**  trans-110.6134.2171.4-157.7-173.8-51.700108.4
354P62.7Low49.6Very low110 Ų110152 Ų15271%0.71483%0.83SS**PPolyproline II helixtrans-72.4152.8-177.829.3-35.7000112.5
355P61.8Low48.9Very low119 Ų119149.6 Ų149.677%0.77383%0.827SS**PPolyproline II helixtrans-72.7149.4177.730.5-35.3000112.5
356P61.9Low48.6Very low129 Ų129152 Ų15284%0.83883%0.829SS**PPolyproline II helixtrans-74.9153.2175.231.6-35000112.7
357A52.1Low48.4Very low100 Ų100149.2 Ų149.283%0.82683%0.833SS**PPolyproline II helixtrans-85.3155-173.600000114.5
358Q43.6Very low47.7Very low192 Ų192147.9 Ų147.990%0.89783%0.833SS**PPolyproline II helixtrans-85.1142.1174.9-69.4-178-24.400113.1
359P60.1Low48Very low124 Ų124146.3 Ų146.381%0.80583%0.83SS**PPolyproline II helixtrans-89.8158.916335.3-32.2000112.8
360K47.8Very low48Very low205 Ų205145.6 Ų145.689%0.89183%0.829SS**PPolyproline II helixtrans-80.7156.4179-74.1-176.7175.3-177.80113.4
361P39.2Very low48.5Very low130 Ų130142.3 Ų142.384%0.84483%0.832SS**PPolyproline II helixtrans-85.7168.2175.536.3-36.9000114.1
362A49.6Very low48.4Very low103 Ų103134.8 Ų134.885%0.85182%0.823SS**  trans-145.6163.3165.900000109.8
363E40.8Very low47.9Very low193 Ų193134 Ų13490%0.90282%0.818SS**  trans-110.3165.5-157.3-59.8169.794.900116.6
364C37.6Very low47.1Very low134 Ų134133 Ų13391%0.90582%0.815SS**  trans118.2140.7131.4-149.20000119.6
365G40.6Very low46.5Very low64 Ų64133.7 Ų133.766%0.6682%0.82SS**  trans76.5102.9164.700000117.1
366Q42.6Very low45.4Very low186 Ų186134.3 Ų134.387%0.86982%0.817SS**  76.3110.751.9-65.4-164.6-0.500117.5
367T42.2Very low44.2Very low149 Ų149138.6 Ų138.691%0.91482%0.816SS**  174.9161.1122.6300000112
368A39.8Very low43.6Very low93 Ų93138.8 Ų138.877%0.76981%0.809SS**  trans-157.2-156.8-174.100000109.1
369P48.3Very low43.2Very low112 Ų112138.4 Ų138.473%0.72781%0.807SS**  cis-142-155.5-1035.5-10.5000115
370M42.1Very low41.9Very low171 Ų171142.5 Ų142.584%0.84281%0.813SS**  trans82.5154.2163.8-35.7-155.583.700117.5
371V48.7Very low41.2Very low137 Ų137138.9 Ų138.983%0.8381%0.808SS**  cis-140.5140.911.91780000109.7
372G45.4Very low41.1Very low64 Ų64137.8 Ų137.866%0.6681%0.81SS**  135.9155.6107.200000115
373P47.5Very low40.5Very low119 Ų119138.6 Ų138.677%0.77381%0.805SS**  trans-138.6162-150.142.7-24.9000120.6
374L35.5Very low40.2Very low159 Ų159136.3 Ų136.383%0.83280%0.798SS**  trans36.4145.4136.6-69.6169000123
375P48.6Very low40.1Very low125 Ų125139.9 Ų139.981%0.81280%0.799SS**  -150.9-169.484.941-22.9000115.8
376N38.9Very low39.6Very low131 Ų131142.9 Ų142.970%0.70180%0.8SS**  -172.1176.3-57.7-168.117.8000109.6
377W36.9Very low39.3Very low220 Ų220142.7 Ų142.783%0.83380%0.797SS**  trans83.6149.5171.6-6182.3000118.2
378P40.5Very low39.1Very low104 Ų104146.5 Ų146.568%0.67579%0.794SS**  cis-135.8170.5-41.438-22.3000114.5
379Q34.5Very low39.3Very low184 Ų184149.7 Ų149.786%0.8680%0.795SS**  trans-86151.2174.4-66.2176.8-64.700113
380F33Very low39.8Very low210 Ų210149.2 Ų149.292%0.92179%0.792SS**  trans-113.7141.7156.3-98.2-89.2000109.9
381T32.4Very low40.6Very low129 Ų129146.6 Ų146.679%0.79179%0.788SS**  trans-111.3127.5174.352.10000110.3
382A37Very low41Very low107 Ų107146.2 Ų146.288%0.88479%0.788SS**  trans-126.3142.6166.100000109
383T36.9Very low40.7Very low120 Ų120146.6 Ų146.674%0.73679%0.792SS**  trans-115.3148.7-166.150.50000112.9
384N34.5Very low40.5Very low144 Ų144149.9 Ų149.977%0.7780%0.799SS**  trans6095.3156.5-58-8.6000117.6
385F35.4Very low40.7Very low210 Ų210151 Ų15192%0.92180%0.8SS**  -131.7116.6126.5-101.1-85.8000107.7
386D31.3Very low40.2Very low127 Ų127153.9 Ų153.968%0.67980%0.803SS**  trans-107.2115.6177.7-171.6-8.7000108.7R388D386-R388 PolarHBondContact OD1-N 3.48Å
387F36.2Very low40.2Very low182 Ų182158.7 Ų158.780%0.79881%0.811SS**  trans-132.664.2175-114.7-78.4000109.8M389F387-M389 PolarHBondContact O-N 3.42Å
388R37.3Very low40.8Very low229 Ų229152.8 Ų152.886%0.86480%0.801SS**  trans-6093.7164.7-89.3-179.2151.6-159.9-3.4111.6D386D386-R388 PolarHBondContact OD1-N 3.48Å
389M44Very low40.7Very low160 Ų160155.5 Ų155.579%0.78881%0.81SS**PPolyproline II helixtrans-80.2140.8151.4-68.5-14776.400110F387F387-M389 PolarHBondContact O-N 3.42Å
390P59.5Low40.9Very low101 Ų101156.3 Ų156.366%0.65681%0.811SS**PPolyproline II helixtrans-72.1154.7172.231.8-34.8000110.7
391P58.5Low41.3Very low117 Ų117152.3 Ų152.376%0.7680%0.803SS**PPolyproline II helixtrans-66141.9171.629.2-34.4000110.5G393P391-G393 PolarHBondContact O-N 3.32Å
392P57.1Low41.5Very low129 Ų129150.9 Ų150.984%0.83880%0.796SS**PPolyproline II helixtrans-63.1127.9171.926.9-33.3000109.8
393G40Very low42.2Very low71 Ų71151.8 Ų151.873%0.73279%0.793SS**PPolyproline II helixtrans-67.7136.5-177.300000112.3P391 Q395P391-G393 PolarHBondContact O-N 3.32Å; G393-Q395 PolarHBondContact O-N 3.17Å
394M41.5Very low42.3Very low188 Ų188152.6 Ų152.693%0.92680%0.798SS**  trans-60.9106.8172-75.4179.8160.500110.8Q396M394-Q396 PolarHBondContact O-N 3.17Å
395Q40.6Very low42.9Very low183 Ų183151.4 Ų151.486%0.85580%0.801SS**  trans-74.4115.3158.5-72.4-156.11000109.1G393 W397G393-Q395 PolarHBondContact O-N 3.17Å; Q395-W397 PolarHBondContact O-N 3.37Å
396Q39.1Very low43.1Very low186 Ų186145.6 Ų145.687%0.86979%0.792SS**PPolyproline II helixtrans-73.6120.1173.8-63.4179.11.500109.1M394M394-Q396 PolarHBondContact O-N 3.17Å
397W38.6Very low43.6Very low232 Ų232147.3 Ų147.388%0.87980%0.799SS**PPolyproline II helixtrans-69.8134170.7-78.867.6000109.8Q395Q395-W397 PolarHBondContact O-N 3.37Å
398P49.2Very low43.8Very low96 Ų96144.6 Ų144.662%0.62380%0.8SS**PPolyproline II helixtrans-72.1131.7-175.327.8-34.1000111.9F400P398-F400 PolarHBondContact O-N 3.41Å
399N37.2Very low43.7Very low161 Ų161138.4 Ų138.486%0.86180%0.798SS**  trans-63.8113.3175-71.8-71.9000111.3
400F40.1Very low43.5Very low200 Ų200136 Ų13688%0.87780%0.804SS**  trans-94.3111.7167.8-96.1-89000111.2P398P398-F400 PolarHBondContact O-N 3.41Å
401V41.9Very low42.4Very low126 Ų126134.2 Ų134.276%0.76480%0.804SS**  trans-125.1136171.4176.10000107.3
402P35.5Very low41.5Very low99 Ų99137.4 Ų137.464%0.64381%0.813SS**  trans-93.2159.6-153.435.7-38000115T404P402-T404 PolarHBondContact O-N 2.83Å
403P52Low40.7Very low126 Ų126135.6 Ų135.682%0.81881%0.809SS**  trans-79.8106.2166.632.2-31.7000111.1
404T39.7Very low40.4Very low137 Ų137138.1 Ų138.184%0.8481%0.814SS**  trans-78.3122.2164.249.90000110.9P402P402-T404 PolarHBondContact O-N 2.83Å
405S46.6Very low40.4Very low120 Ų120134.5 Ų134.584%0.83981%0.805SS**  trans-141.8155163.461.40000110
406A38.6Very low40.1Very low87 Ų87133.8 Ų133.872%0.71981%0.806SS**  trans-151.6-174.7-166.400000111.8
407I42.2Very low40.1Very low163 Ų163128.6 Ų128.684%0.83680%0.803SS**  trans82.4132.7169-47.1159.2000113.7
408P40.1Very low40Very low125 Ų125124.5 Ų124.581%0.81280%0.798SS**  cis-136.6-168.8-31.141.2-22.6000113.7
409A36.7Very low39.6Very low100 Ų100129.5 Ų129.583%0.82681%0.81SS**  trans-92.4146.5-17300000116.9
410A39.9Very low39.7Very low110 Ų110127.7 Ų127.791%0.90981%0.807SS**  trans179.6145.113900000108.8
411G35.1Very low39.9Very low63 Ų63124.6 Ų124.665%0.64981%0.809SS**  cis167155.6-6.800000110.1
412L39.3Very low39.9Very low183 Ų183130.2 Ų130.296%0.95882%0.816SS**  trans69.3154.7-177.9-45.7171.9000115.1
413A40.2Very low40.3Very low91 Ų91131.2 Ų131.275%0.75282%0.822SS**  cis-162.5143-32.700000109.5
414C34.3Very low40Very low124 Ų124134.7 Ų134.784%0.83883%0.828SS**  trans-86.2164.7172.1-41.40000110.3
415P41.6Very low40.1Very low112 Ų112132 Ų13273%0.72783%0.827SS**  -155.5164.569.241.8-21.5000119.2
416L35.2Very low39.8Very low168 Ų168135.8 Ų135.888%0.8882%0.823SS**  trans40.7128.2140.5-63.8166.7000122.2
417G38.3Very low40.3Very low78 Ų78136.9 Ų136.980%0.80482%0.821SS**  trans-164.788.5164.400000114.9
418N37.3Very low40.4Very low146 Ų146135.6 Ų135.678%0.78181%0.811SS**  trans-84142.7175.2-67.2-6.1000112.3
419K40.2Very low40.3Very low200 Ų200138 Ų13887%0.8781%0.811SS**  175.1147.4128.4-97.1156-173.3176.60113.9
420P39.1Very low40.8Very low123 Ų123138 Ų13880%0.79980%0.803SS**  trans-88.9164.8165.237.1-34.4000112.5
421C44.8Very low40.9Very low136 Ų136139 Ų13992%0.91979%0.793SS**  trans-115.3159.5176.1-79.30000113.1
422R40.7Very low41.3Very low244 Ų244141 Ų14192%0.92180%0.797SS**  trans-113.3167.2-170.2-106.6-169.9171.5-166.1-1.9113.1
423P44.6Very low41.1Very low119 Ų119141.9 Ų141.977%0.77379%0.793SS**  trans-95.5176.4-172.138.9-37.6000115.7
424Q45.2Very low41.7Very low200 Ų200142.7 Ų142.794%0.93579%0.791SS**  trans-139.6154.9164-62.2-179.6-8.600107.6
425G42.9Very low41.9Very low80 Ų80140.8 Ų140.883%0.82579%0.785SS**  cis-154.1-146.1-6.400000106.8
426R39.9Very low41.9Very low200 Ų200141.9 Ų141.976%0.75578%0.784SS**  cis-167.4172.5-20.8-171.7-148.9138.6-176.3-9.1105E428R426-E428 IonicContact CZ-OE1 3.67Å; R426-E428 VanDerWaalsContact CZ-OE1 3.27Å; R426-E428 IonicContact NE-OE1 3.43Å; R426-E428 PolarHBondContact NE-OE1 3.29Å; R426-E428 IonicContact NH2-OE1 3.75Å; R426-E428 PolarHBondContact NH2-OE1 3.23Å; R426-E428 IonicContact NH2-OE2 2.7Å; R426-E428 PolarHBondContact NH2-OE2 3.49Å
427V49.5Very low42.2Very low110 Ų110142.4 Ų142.467%0.66778%0.78SS**  trans78.1128.6164.6-171.40000114.8
428E43.2Very low42.3Very low136 Ų136143.3 Ų143.364%0.63677%0.766SS**  cis-160.8169.5-29.3-133.1135.4-11500110.6R426R426-E428 IonicContact CZ-OE1 3.67Å; R426-E428 VanDerWaalsContact CZ-OE1 3.27Å; R426-E428 IonicContact NE-OE1 3.43Å; R426-E428 PolarHBondContact NE-OE1 3.29Å; R426-E428 IonicContact NH2-OE1 3.75Å; R426-E428 PolarHBondContact NH2-OE1 3.23Å; R426-E428 IonicContact NH2-OE2 2.7Å; R426-E428 PolarHBondContact NH2-OE2 3.49Å
429Q39.3Very low42.7Very low175 Ų175144.2 Ų144.282%0.81877%0.766SS**  trans-146.8166.3172.9-126.8-163.418.100107.9
430P46.7Very low42.7Very low101 Ų101140.3 Ų140.366%0.65675%0.754SS**  -131.9-141.151.130.2-4.1000111.2
431D41.3Very low42.9Very low130 Ų130140.4 Ų140.470%0.69575%0.752SS**  cis-162.2168.33.6-147.5-65000112.7
432S44Very low42.8Very low105 Ų105141.8 Ų141.873%0.73475%0.749SS**  trans76151.7146.9-78.90000124
433F35.3Very low42.7Very low201 Ų201133.7 Ų133.788%0.88274%0.741SS**  trans-129.3-166.2-165.2-98.8-88.8000109.2
434P52.5Low42.3Very low109 Ų109131.5 Ų131.571%0.70874%0.74SS**  cis-136.6176.2-17.424.6-0.4000116.8
435A39.1Very low42.3Very low84 Ų84128 Ų12869%0.69474%0.735SS**  trans64.7147.9146.600000120.3
436N40.7Very low42.1Very low134 Ų134130.6 Ų130.672%0.71774%0.735SS**  -168.8157.357.4-103.3-42.2000113.9
437F41.4Very low42.7Very low179 Ų179126.3 Ų126.379%0.78573%0.733SS**  trans39.6140.4150.6-72.2-71.7000122.3
438D41.7Very low42.4Very low98 Ų98127.1 Ų127.152%0.52474%0.741SS.*  cis-144.6-143.90.5-160.625.2000107.9N440D438-N440 PolarHBondContact OD2-ND2 3.36Å; D438-N440 VanDerWaalsContact OD2-ND2 3.09Å
439Q44.1Very low42Very low165 Ų165130.1 Ų130.177%0.77175%0.751SS**  cis-152.4127.63.6-166140.696.900114.6
440N41.4Very low41.9Very low117 Ų117127.9 Ų127.963%0.62675%0.75SS**  trans11.2139.7141.8-68.4-61000121.3D438D438-N440 PolarHBondContact OD2-ND2 3.36Å; D438-N440 VanDerWaalsContact OD2-ND2 3.09Å
441V42.7Very low41.3Very low125 Ų125132.6 Ų132.676%0.75876%0.76SS**  cis-153.7-176.7-12.2-110.40000107
442I43.5Very low41Very low166 Ų166130.5 Ų130.585%0.85176%0.761SS**  cis-147.6152.626.6-56.7165000106.6
443G38.8Very low40.9Very low73 Ų73131 Ų13175%0.75376%0.762SS**  cis179.6-115.56.500000111.5
444G35.6Very low40.8Very low74 Ų74127 Ų12776%0.76376%0.759SS**  trans-171.1-163.8-178.200000113.8
445P45.9Very low39.9Very low127 Ų127125.1 Ų125.183%0.82576%0.759SS**  cis-128.4-174.822.542.2-27000116
446T37.5Very low39.7Very low134 Ų134130.3 Ų130.382%0.82277%0.766SS**  trans-123.1-146-171.252.10000113.2
447P52Low39.6Very low109 Ų109130.5 Ų130.571%0.70877%0.768SS**  -116.3-160.6-126.437.7-16.4000113.9
448P43.6Very low39.4Very low128 Ų128124.6 Ų124.683%0.83176%0.757SS**  -142.7169.9111.338.4-25.6000116.2
449K34.8Very low39.2Very low198 Ų198125.9 Ų125.986%0.86177%0.774SS**  trans-80163.8169.6-57.9169.1177.8174.20111.2
450V37.1Very low39Very low129 Ų129126.9 Ų126.978%0.78278%0.778SS**  trans-170.9127.5134.1138.60000111.3
451F34.3Very low38.7Very low199 Ų199127.5 Ų127.587%0.87379%0.787SS**  trans29.7142.3155.8-67.3-100.8000124.3
452A35.1Very low38.3Very low87 Ų87128.5 Ų128.572%0.71979%0.788SS**  trans-87.4172.3159.200000111.2
453P41.2Very low38Very low115 Ų115131.7 Ų131.775%0.74779%0.789SS**  -153.1163.289.642.1-24.8000117.9
454S33.9Very low38Very low118 Ų118138.8 Ų138.883%0.82580%0.8SS**  trans40.5132.5142.965.60000124.1
455G33.8Very low38.1Very low69 Ų69139.4 Ų139.471%0.71180%0.798SS**  trans143.8117.9130.700000118.2
456F34.4Very low37.7Very low192 Ų192141.1 Ų141.184%0.84280%0.8SS**  trans36.1147.6144.5-83.4-134.8000120.1
457N38.1Very low37.9Very low139 Ų139141.9 Ų141.974%0.74380%0.799SS**  cis-170.9165.6-8.4-104.27.2000104.3
458G37Very low37.3Very low55 Ų55143.3 Ų143.357%0.56780%0.798SS**  cis159.8170.61.500000109.3
459S38.5Very low37.1Very low125 Ų125147.8 Ų147.887%0.87480%0.798SS**  trans65.8156.2179.6710000116.2
460E39.1Very low37.2Very low185 Ų185142.2 Ų142.286%0.86480%0.797SS**  cis-124.5152.111-66.4177.5102.500114
461T35.5Very low37.3Very low131 Ų131144.2 Ų144.280%0.80480%0.803SS**  trans-142.5154.5163.447.70000110.5
462D35.6Very low37.7Very low146 Ų146141.5 Ų141.578%0.78180%0.803SS**  trans35.8110.6162.5-62.6-43.9000120.5
463R36.6Very low37.9Very low233 Ų233140.8 Ų140.888%0.87980%0.803SS**  178.9136.6129.2-96.7147.9-169.7-167.25111.7
464F37.5Very low38Very low222 Ų222144.3 Ų144.397%0.97481%0.807SS**  -146.6146.3125.7-97.6-67.9000109.7
465A39.3Very low38.3Very low87 Ų87144.8 Ų144.872%0.71981%0.807SS**  trans-133.9173.5-167.300000112.3
466N35.8Very low38.7Very low163 Ų163149.7 Ų149.787%0.87282%0.816SS**  trans-51.2139.8-174.8-66.6-48000115.2
467N42.8Very low38.8Very low150 Ų150148.4 Ų148.480%0.80282%0.817SS**  trans-140146.4156.2-98.6-42000106.5
468M40.1Very low38.7Very low138 Ų138147.2 Ų147.268%0.6882%0.82SS**  cis174.3132.8-21.4-118.3-87.5-92.100104
469R38.1Very low38.7Very low223 Ų223150.5 Ų150.584%0.84283%0.829SS**  trans5297162-67.9172.4170.5-127.9-4119.2
470G37.8Very low38.8Very low81 Ų81150.9 Ų150.984%0.83583%0.826SS**  97.3129.486.500000119.2
471N39.2Very low38.7Very low170 Ų170146.4 Ų146.491%0.90981%0.813SS**  trans-149.8161.1143.5-141.3-25.2000110.5
472V42.7Very low38.8Very low143 Ų143149.3 Ų149.387%0.86782%0.815SS**  trans-112.4131.7-168.3176.70000111.3
473G39Very low39Very low71 Ų71151.3 Ų151.373%0.73282%0.819SS**  trans-161.369.1-172.200000116.8
474K44Very low38.9Very low189 Ų189150 Ų15082%0.82282%0.82SS**  trans20.9119153.9-58.6176.6-179.2178.70119.4
475P38.8Very low39Very low128 Ų128143.9 Ų143.983%0.83181%0.81SS**  trans-75.7149.8152.233.7-32.5000110.8
476L42.4Very low39Very low172 Ų172147.8 Ų147.890%0.90181%0.814SS**  trans-124.3135.1165.4-85.4173.5000109.8
477L37Very low39.1Very low165 Ų165146.9 Ų146.986%0.86480%0.804SS**  trans-83.5146.8174-70.8154000110.1
478S36.4Very low39.1Very low114 Ų114146.9 Ų146.980%0.79781%0.81SS**  trans-140.886.2162.465.80000110.7
479T37.3Very low39.1Very low125 Ų125146.1 Ų146.177%0.76781%0.813SS**  trans-77.8121.4173.4-53.70000110.5
480V40.1Very low39.4Very low132 Ų132139.1 Ų139.180%0.881%0.81SS**  trans-143.5116.4165.6-173.70000110.3
481P36.7Very low39.5Very low91 Ų91141.7 Ų141.759%0.59181%0.805SS**  trans-102.6-170.4165.337.3-28.4000111.6
482F38Very low39.7Very low192 Ų192142.4 Ų142.484%0.84281%0.805SS**  trans76.6153.1-171-65.6-92.1000113.8
483Q40Very low39.6Very low188 Ų188143 Ų14388%0.87980%0.802SS**  cis-142.4162.720.9-152.3162.814.300113.1
484K33.1Very low39.6Very low206 Ų206143.8 Ų143.890%0.89680%0.801SS**  trans-127.6123.8-176.7178.3-174.3178.1-176.40111
485A40.7Very low39.4Very low93 Ų93143.3 Ų143.377%0.76980%0.802SS**  trans-166.1155170.900000108.3
486Q38.7Very low39.6Very low169 Ų169147.4 Ų147.479%0.7981%0.807SS**  cis-147.4170.7-11.4-134.2-167.3-58.100111.4
487E37.4Very low39.5Very low144 Ų144146.7 Ų146.767%0.67380%0.804SS**  trans-58.7154.3-177.5-55125.2141.100115.2
488T43.4Very low39.9Very low150 Ų150142.6 Ų142.692%0.9280%0.802SS**  trans-147.8133.3138.6-30.70000109.5
489T40.7Very low40.2Very low122 Ų122141.8 Ų141.875%0.74880%0.802SS**  trans-107.9144-164.6-38.60000111.7
490G44.7Very low40.4Very low76 Ų76148 Ų14878%0.78481%0.811SS**  trans-159.793.3176.400000113.4
491N39.2Very low40.5Very low135 Ų135145.8 Ų145.872%0.72282%0.815SS**  trans-96.3128.1179.8-69.8-12.7000112.4
492M43.1Very low40.7Very low186 Ų186150.1 Ų150.192%0.91683%0.827SS**  trans-153.8118.8140.1-70-162-78.300105.7
493I39.8Very low41.2Very low155 Ų155146 Ų14680%0.79582%0.82SS**  cis79.3138.746-57.9178.6000112.7
494A40.8Very low41.6Very low87 Ų87142.6 Ų142.672%0.71981%0.812SS**  trans74.5102.1-16700000113.2
495E39Very low42Very low179 Ų179139 Ų13984%0.83681%0.81SS**  60.4106.755.1-58-163.2137.800114.8
496F42.7Very low42.2Very low215 Ų215138.5 Ų138.594%0.94381%0.813SS**  trans-151.7133.5139.7-131.6-86.8000110.4
497N41.6Very low42.2Very low157 Ų157138.7 Ų138.784%0.8481%0.814SS**  trans-93140.2178.9-83.3-70.9000111.2
498G43.6Very low42.4Very low79 Ų79141.5 Ų141.581%0.81482%0.824SS**  trans-151.3133168.800000109.1
499A42.5Very low42.7Very low96 Ų96139.7 Ų139.779%0.79381%0.813SS**  trans-142.8161.4-15900000115.3
500R43.6Very low42.7Very low257 Ų257139.8 Ų139.897%0.9782%0.816SS**  trans74.4130.2170-60.4177.7167.7-178.5-4.8116.7
501G41.6Very low42.7Very low84 Ų84143.8 Ų143.887%0.86682%0.819SS**  trans168.549.3174.900000115.3
502Q41.2Very low42.8Very low182 Ų182146.2 Ų146.285%0.8583%0.826SS**  trans-127.9147167.5-150.4-166.336.600109.2
503P48.5Very low42.6Very low106 Ų106140.5 Ų140.569%0.68882%0.815SS**  -145153.5119.638.6-25.2000115.9
504T48.7Very low42.8Very low117 Ų117140 Ų14072%0.71882%0.819SS**  trans54.8119.2146.252.80000121.7
505P39.6Very low43Very low131 Ų131143.5 Ų143.585%0.85183%0.826SS**  trans-79.1135155.733.3-31.3000111.2
506G45.6Very low43.3Very low81 Ų81140.2 Ų140.284%0.83582%0.819SS**  trans-91.5115.1179.200000112.9
507H39Very low43.4Very low174 Ų174138.1 Ų138.181%0.80682%0.818SS**  trans-74.1134.6171.5-126-65.8000110.5
508F40.5Very low43.4Very low202 Ų202133.4 Ų133.489%0.88681%0.807SS**  trans-130.4151151.7-101.4-84.3000109.9
509T50Low43.6Very low113 Ų113135.1 Ų135.169%0.69380%0.804SS**  trans-98.5150.1-166.347.40000112.7
510P40.9Very low43.4Very low124 Ų124142 Ų14281%0.80581%0.809SS**  trans-66.8156.2167.532.4-35.8000110.4
511N46.1Very low43.4Very low160 Ų160139.7 Ų139.786%0.85680%0.8SS**  trans-143.3140162-161.326.7000110.6
512E40.5Very low43.5Very low185 Ų185142.3 Ų142.386%0.86479%0.792SS**  trans-80.8158.6176.6-57.4166.3136.200109
513G39.4Very low43.4Very low66 Ų66142.5 Ų142.568%0.6879%0.792SS**  cis173.8-1452.300000109.6
514V43.4Very low43.4Very low146 Ų146145.8 Ų145.889%0.88580%0.798SS**  trans78.582172.3-165.10000117.1
515N44.2Very low43Very low160 Ų160149.6 Ų149.686%0.85681%0.805SS**  trans58.2153.5135.8-98.818.9000123.5
516P47.1Very low42.8Very low109 Ų109154.5 Ų154.571%0.70881%0.806SS**  trans-107.5167.1-168.641.8-34.7000114.6
517D43.4Very low43.3Very low172 Ų172156.6 Ų156.692%0.9281%0.806SS**  trans-146.3140.5149-119.4-37.1000110.2
518G41.2Very low43.2Very low58 Ų58156.9 Ų156.960%0.59881%0.811SS**  trans-116.2138.5-171.200000113.5R520G518-R520 PolarHBondContact O-N 2.66Å
519P48.6Very low43.6Very low115 Ų115150.1 Ų150.175%0.74780%0.798SS**  trans-77.690.8-172.430.7-35.4000113.3
520R37.4Very low43.2Very low241 Ų241153.3 Ų153.391%0.90981%0.805SS**  trans-78.7114.8167.9-99.8-171.9170.1-148.9-0.5112G518G518-R520 PolarHBondContact O-N 2.66Å
521W44.7Very low43.4Very low208 Ų208155.4 Ų155.479%0.78881%0.81SS**  trans-144.7133.3171.8-54.185.7000108.7
522M43.3Very low43.2Very low138 Ų138151.3 Ų151.368%0.6881%0.805SS**  cis-136.6150-16.1-68.2-175.117500108.9
523Q39Very low43.4Very low186 Ų186151 Ų15187%0.86981%0.806SS**  trans-122.8121.2157.5-79.5-173.9-13.800108.6
524H47.9Very low44.2Very low175 Ų175153.2 Ų153.281%0.8181%0.809SS**PPolyproline II helixtrans-83.4137178.1-98.2-96.8000112
525K40.5Very low44.6Very low197 Ų197152.1 Ų152.186%0.85780%0.804SS**PPolyproline II helixtrans-78.2148.5-171.4-59.1180179.6-178.70112.4
526R35.3Very low44.9Very low234 Ų234150.2 Ų150.288%0.88380%0.801SS**PPolyproline II helixtrans-81.4144.7153.1-63.8-173.3-177.6-153.12.1109.6
527P56.5Low44.6Very low126 Ų126155 Ų15582%0.81881%0.811SS**PPolyproline II helixtrans-76.4162.9161.533.5-33.3000111.2
528I38.4Very low44.6Very low179 Ų179151.7 Ų151.792%0.91881%0.808SS**  trans-118.1147.7174.7-67.9173.2000108.6
529G47.4Very low44.7Very low60 Ų60157.9 Ų157.962%0.61982%0.821SS**  trans137.7142.8173.600000110.8
530E42.9Very low44.3Very low181 Ų181158.2 Ų158.285%0.84682%0.823SS**  cis-167.7155.6-18.1-127.4162.7-178.200106.3
531D44.8Very low44.7Very low167 Ų167156 Ų15689%0.89383%0.825SS**  trans58.7159.4174.8-62.3-30000119.7
532G40.5Very low44.4Very low74 Ų74151.9 Ų151.976%0.76382%0.823SS**  trans150.2-6.6153.900000124.1
533M45.4Very low44.2Very low178 Ų178155.8 Ų155.888%0.87783%0.832SS**  trans56.9128.4170.4-75.2-72.5-70.800120.6
534P55.4Low44.3Very low114 Ų114151.9 Ų151.974%0.7483%0.825SS**  trans-96.8154.6169.737.8-33.8000114.4
535P53.4Low43.7Very low122 Ų122146.6 Ų146.679%0.79282%0.817SS**  trans-127.1171.2149.930.7-13.7000112.8
536P50.1Low43.7Very low121 Ų121146.5 Ų146.579%0.78682%0.82SS**  -128.7-167.2-128.944.3-31.9000117.5
537F40.7Very low43.7Very low209 Ų209147.1 Ų147.192%0.91782%0.822SS**  trans-42.1144173.7-76.1-112.3000116.3
538A42.5Very low43.1Very low103 Ų103149 Ų14985%0.85182%0.824SS**  trans-155.6154.1146.100000111.9
539E43.1Very low43.2Very low187 Ų187151.8 Ų151.887%0.87482%0.822SS**  trans-83.3167.1-166.2-77.4-172.5144.500116.5
540P40.8Very low43.4Very low122 Ų122154.4 Ų154.479%0.79283%0.829SS**  trans-84.2150.9-179.134.2-36.5000113.8
541M45.4Very low43.8Very low195 Ų195152 Ų15296%0.96183%0.828SS**  trans-134.7153165.7-83.3-142.8172.900114.6
542V38.2Very low43.6Very low121 Ų121152.5 Ų152.573%0.73383%0.83SS**  trans-85.1145.9-176.7176.30000109.8
543Y40.7Very low44.2Very low221 Ų221152.1 Ų152.187%0.86783%0.826SS**  -177.5150.2119.1-109.6-84.6000115.8
544S41Very low44.8Very low103 Ų103149.6 Ų149.672%0.7282%0.823SS**  trans-22.3136.8172.6-159.90000119
545G34.1Very low44.3Very low64 Ų64149.6 Ų149.666%0.6682%0.823SS**  trans-93.7177.6174.700000115.3
546H41.3Very low44.9Very low196 Ų196149.9 Ų149.991%0.90783%0.825SS**  trans-133.2151.6173.3-93.425.4000111.7
547R34.4Very low45Very low246 Ų246149.1 Ų149.193%0.92882%0.823SS**  trans-90.3134.2-179.1-67.7176.5172.6-179.7-2.1111.6
548I44.8Very low45Very low166 Ų166146.2 Ų146.285%0.85182%0.817SS**  trans-134.1137.3152.8-58.7-176.7000108.4
549R39.9Very low45Very low237 Ų237152.2 Ų152.289%0.89482%0.818SS**  trans-107.8135.7174.5-93.2-173.4170.7-172.9-2.8110.3
550P52.6Low45.3Very low116 Ų116151 Ų15175%0.75382%0.816SS**  trans-83.7168.7153.3-8.127.2000111.9
551P49.9Very low45.2Very low129 Ų129148.2 Ų148.284%0.83881%0.809SS**  trans-95.2-179.3-163.837.9-37.4000116.1
552L40.8Very low46.1Very low178 Ų178145 Ų14593%0.93280%0.802SS**  trans-76.6151-179.2-69156.7000113.4
553G53.7Low46.9Very low66 Ų66144.6 Ų144.668%0.6880%0.802SS**  trans-123.5157.216400000111.6
554P57.7Low47.2Very low125 Ų125138.7 Ų138.781%0.81279%0.793SS**PPolyproline II helixtrans-90159.4-166.735.6-36.8000114.8
555P45.8Very low47.6Very low114 Ų114140.4 Ų140.474%0.7479%0.794SS**PPolyproline II helixtrans-87.1150.6169.435.7-33.5000112.5
556P65.9Low48.1Very low129 Ų129146.5 Ų146.584%0.83880%0.803SS**PPolyproline II helixtrans-85.8147.1164.234.4-32000111.7
557S51.7Low48.5Very low105 Ų105143.5 Ų143.573%0.73480%0.798SS**PPolyproline II helixtrans-97.8152.3-179.6-690000114.1
558D40.7Very low49Very low148 Ų148135.7 Ų135.779%0.79179%0.787SS**  trans12.1134.2144.9-47.2-60.2000120.4
559R43.5Very low49.1Very low229 Ų229134.1 Ų134.186%0.86479%0.785SS**  trans-165124.3136.5-109.5178.6-179.1-172.1-0.9112.9
560I47.7Very low49.7Very low162 Ų162129.4 Ų129.483%0.83178%0.783SS**  trans50.9133142.8-52.7156.8000117.8
561G40Very low49.4Very low63 Ų63127 Ų12765%0.64978%0.779SS**  cis155.3135.71.400000110.5
562P63.2Low49.8Very low127 Ų127126.9 Ų126.983%0.82578%0.778SS**  trans-94.5-177.1-172.839.8-38.2000113.6
563P55.5Low50.7Low113 Ų113123.8 Ų123.873%0.73477%0.768SS**  -154.7170.4101.241.4-24.4000118
564S47.6Very low51.4Low97 Ų97126.8 Ų126.868%0.67878%0.776SS**  trans68.6150.4147.1-74.60000120.8
565D49.6Very low50.7Low139 Ų139126 Ų12674%0.74377%0.774SS**  cis-157.4-177.30.4-106.2-12.4000112.7
566F43.3Very low50.5Low192 Ų192127.5 Ų127.584%0.84278%0.78SS**  trans77.3115.2179.3-75.7-101.4000116.7
567V49.4Very low49.5Very low132 Ų132125.3 Ų125.380%0.878%0.781SS**  cis79118.948.2179.20000111.1
568A45.7Very low49.1Very low83 Ų83129.7 Ų129.769%0.68678%0.782SS**  cis-147.8159.241.300000118.1
569T46.7Very low49.5Very low132 Ų132131.8 Ų131.881%0.8178%0.784SS**  trans-6.7148.7150.87.70000120
570T52.3Low49.5Very low139 Ų139127.1 Ų127.185%0.85377%0.772SS**  cis-136.5-174.814.365.80000110.3
571G46.8Very low49.7Very low66 Ų66126.1 Ų126.168%0.6877%0.768SS**  cis-175.4174.75.300000111.5
572P57.3Low49.9Very low126 Ų126129.9 Ų129.982%0.81877%0.773SS**  trans-110.3158.4-158.639.5-34.6000117.6
573P61.3Low48.8Very low112 Ų112129.9 Ų129.973%0.72777%0.771SS**  trans-90.9151.8168.736.3-33.8000113.4
574P68.3Low48.3Very low130 Ų130130.8 Ų130.884%0.84478%0.775SS**  trans-78.2163.1172.833.4-35.2000112.5
575S41.5Very low48Very low108 Ų108135 Ų13576%0.75578%0.783SS**  trans-143165.1-177.6-74.60000112.9
576V41.8Very low47.9Very low146 Ų146137.7 Ų137.789%0.88579%0.792SS**  trans76.8127.6169.2-166.80000116.8
577G45.7Very low47.7Very low83 Ų83132.5 Ų132.586%0.85679%0.792SS**  trans-167.665.4171.600000109.8
578R43.8Very low47.7Very low196 Ų196130.3 Ų130.374%0.7480%0.797SS**  trans-94.1132-175.1-173.4-179.6-178.8171.6-3.4109.7E580R578-E580 HydrophobicContact CG-CG 4.36Å; R578-E580 IonicContact CZ-OE1 3.42Å; R578-E580 IonicContact NE-OE1 3.05Å; R578-E580 PolarHBondContact NE-OE1 3.02Å; R578-E580 IonicContact NH2-OE1 2.68Å; R578-E580 PolarHBondContact NH2-OE1 2.81Å
579F48.7Very low47.6Very low193 Ų193131.8 Ų131.885%0.84681%0.809SS**  trans-123134.2170.2-116.2-87.7000108.7
580E44.3Very low47.6Very low130 Ų130129.1 Ų129.161%0.60781%0.808SS**  trans-135.5127.9175.9-65.9-175.3161.600108.3R578R578-E580 HydrophobicContact CG-CG 4.36Å; R578-E580 IonicContact CZ-OE1 3.42Å; R578-E580 IonicContact NE-OE1 3.05Å; R578-E580 PolarHBondContact NE-OE1 3.02Å; R578-E580 IonicContact NH2-OE1 2.68Å; R578-E580 PolarHBondContact NH2-OE1 2.81Å
581D51.4Low47.2Very low141 Ų141131.4 Ų131.475%0.75481%0.809SS**  trans-140.581.7174-95.6-49.7000110.8
582N43.3Very low47.1Very low142 Ų142136 Ų13676%0.75981%0.814SS**  trans25.6138.7135.8-79.9-43.3000123.1
583V40.5Very low46.9Very low127 Ų127137.9 Ų137.977%0.7782%0.817SS**  trans73.6137.6138171.10000115.7
584T46Very low46.8Very low132 Ų132137.6 Ų137.681%0.8182%0.815SS**  cis-134.6164.329.3-35.60000113.8
585Q39.9Very low45.9Very low185 Ų185137.1 Ų137.186%0.86481%0.812SS**  trans-129.9120.4176.7178.9-17220.900112.2
586E48.1Very low47.2Very low196 Ų196138.1 Ų138.192%0.91682%0.816SS**  trans-147.3154.8156.5-70.5-167.3147.600107.1
587G39.4Very low47.4Very low83 Ų83140.5 Ų140.586%0.85682%0.815SS**  cis144.796.9-0.200000110.6
588G49.2Very low47.3Very low87 Ų87144.2 Ų144.290%0.89781%0.813SS**  trans163.2135.5176.900000114.5
589A43.6Very low47.6Very low114 Ų114138.4 Ų138.494%0.94281%0.814SS**  trans-124.1160.3175.700000110.5
590G45.9Very low47.3Very low76 Ų76137.4 Ų137.478%0.78482%0.818SS**  trans-169.8141.1178.700000111.8
591E44.3Very low47.6Very low186 Ų186134.9 Ų134.987%0.86983%0.826SS**  trans-91.7154.7-158.1-67.1165.1109.400116.3
592M45.6Very low47.6Very low163 Ų163137.6 Ų137.680%0.80384%0.837SS**  trans7.6143.9143.6-63.3164.453.100121
593L52.8Low47.6Very low165 Ų165134.3 Ų134.386%0.86484%0.837SS**  -168.6159.3111.5-94.1172.4000110.8
594P59.2Low48.3Very low107 Ų107133.8 Ų133.870%0.69584%0.836SS**PPolyproline II helixtrans-101172.1-168.339.8-36.3000115.3
595P48.2Very low48.3Very low120 Ų120137 Ų13778%0.77983%0.833SS**PPolyproline II helixtrans-87.6156.1-17735.1-36.7000115.1
596P70.4Confident48.8Very low128 Ų128135.8 Ų135.883%0.83183%0.827SS**PPolyproline II helixtrans-90164176.536.6-35.7000114.1
597F45.9Very low48.5Very low197 Ų197131.6 Ų131.686%0.86482%0.815SS**  trans-150.1152.2-177-135.2-60.5000110.5
598I43.4Very low49Very low160 Ų160136.2 Ų136.282%0.82182%0.817SS**  trans73.5138.3167.2-49.1179.6000116.6
599G50.5Low49Very low75 Ų75136.3 Ų136.377%0.77381%0.809SS**  trans164.482168.200000114.3
600D42Very low49.4Very low172 Ų172137.1 Ų137.192%0.9280%0.804SS**  trans-74.9149.5173.9-80.5-65.9000113
601G50.4Low49.3Very low76 Ų76137.1 Ų137.178%0.78480%0.804SS**  trans-162.5138.1175.300000112.3
602M51.6Low50Low199 Ų199134 Ų13498%0.9880%0.8SS**  trans-79.1157.7-174.1-60.5-171.5-174.100113.2
603G42.5Very low50.7Low73 Ų73131.1 Ų131.175%0.75379%0.794SS**  trans-81.3-140.6174.700000113.5
604P54.7Low50.4Low116 Ų116131.4 Ų131.475%0.75379%0.791SS**  cis-141.7-169.48.344.3-26000115.7
605R47.8Very low49.7Very low200 Ų200137.9 Ų137.976%0.75580%0.801SS**  trans83.2132.7148.4-83.9175.9174.8-134.66122.1
606H49Very low49.4Very low159 Ų159135.3 Ų135.374%0.73680%0.797SS**  trans84.897.1143-61.2-33.3000122
607T42.2Very low48.4Very low108 Ų108137.9 Ų137.966%0.66380%0.803SS**  60.7114.7115.8-40.30000120.1
608M49.5Very low48.4Very low180 Ų180133.3 Ų133.389%0.88780%0.801SS**  -163.7162.5117-98.2-50.716500111.8
609A49.2Very low48.5Very low89 Ų89135.9 Ų135.974%0.73680%0.802SS**  trans-97.9162.9-172.200000113.6
610P52.5Low48.8Very low130 Ų130138.2 Ų138.284%0.84480%0.803SS**  trans-96.1163.9-169.337.8-36.2000115.2
611G43.9Very low48.8Very low76 Ų76139.8 Ų139.878%0.78480%0.796SS**  trans-159.8115.2172.200000114.6
612P58.9Low49.1Very low120 Ų120145.1 Ų145.178%0.77980%0.801SS**  trans-115.3-169.6170.241.4-31.6000111.5
613P60.1Low48.6Very low104 Ų104145.4 Ų145.468%0.67579%0.791SS**  cis-124.1-174-43.535.9-20.1000111.5
614H47.1Very low48.9Very low171 Ų171152 Ų15279%0.79280%0.799SS**  trans175.5138.9137.5-97-48.9000115
615R44.5Very low48.5Very low242 Ų242154.8 Ų154.891%0.91380%0.802SS**  trans59.4147.3158.6-59.3175.6179.9-170.7-0.2117.4
616G42.3Very low48.4Very low67 Ų67148.9 Ų148.969%0.69180%0.803SS**  cis163.4176.9-8.600000112.8
617L47.7Very low48.1Very low182 Ų182150.5 Ų150.595%0.95381%0.811SS**  trans80.7159.4166.4-53.4176000120.4
618A47.5Very low49.1Very low100 Ų100151 Ų15183%0.82682%0.816SS**  trans90.8136.1165.600000120.5
619Y43.8Very low49.4Very low214 Ų214148.5 Ų148.584%0.83981%0.814SS**  trans-121.8171.1-178-98-78.4000107.1
620P57.1Low49Very low124 Ų124154.2 Ų154.281%0.80582%0.822SS**  -152.6-175.151.341.5-18000118.7
621R41.9Very low48.9Very low205 Ų205151.3 Ų151.377%0.77482%0.816SS**  trans-81159.3175-69.9170.8161.5166.7-5.2112.9
622H57Low49.2Very low189 Ų189155 Ų15588%0.87582%0.818SS**  trans-126.2151.1138.9-92.6-97.3000111.3
623R41.5Very low48.4Very low204 Ų204159.4 Ų159.477%0.7782%0.819SS**  trans-108.7152.3167.8-84.3179.8168.2173.4-4.5108.4
624F47.8Very low47.7Very low211 Ų211159.7 Ų159.793%0.92582%0.821SS**  trans-142.5168.3141.9-115.9-83000110.5
625Q46.6Very low47.7Very low175 Ų175158 Ų15882%0.81882%0.817SS**  trans-150.4137.9-153.4176.7178.5-6.300110.7
626G46.5Very low47.6Very low76 Ų76151.8 Ų151.878%0.78481%0.81SS**  trans170.8131172.400000115.1
627Q43.5Very low48Very low193 Ų193153.7 Ų153.790%0.90281%0.811SS**  trans-136.3144.7162.1-94.7-163.9-16.700108.5
628P61.6Low48Very low119 Ų119150.7 Ų150.777%0.77381%0.805SS**  trans-102158.1159.336-28.9000112.4
629P55.8Low47.6Very low128 Ų128150.2 Ų150.283%0.83180%0.801SS**  trans-101.1-175.5-169.640.2-37.5000115.7
630F40.9Very low48Very low208 Ų208146.3 Ų146.391%0.91280%0.802SS**  trans-70154.4-175.8-71.9-98.2000116.1
631G51.7Low47.2Very low70 Ų70145.4 Ų145.472%0.72280%0.798SS**  trans-123.9168.2164.300000112.4
632N49.1Very low47.3Very low152 Ų152145.3 Ų145.381%0.81380%0.804SS**  trans-127.4148.1-162-81.5-67.6000116.1
633R41.7Very low46.5Very low213 Ų213142.1 Ų142.180%0.80479%0.794SS**  trans66.6172.4150.7-80-176.9173.7-139.8-0.9118.1
634P46.2Very low46.3Very low110 Ų110140.3 Ų140.371%0.71479%0.794SS**  cis-130.9151.8-6.521.52.6000118.4
635L46.4Very low45.7Very low136 Ų136135.1 Ų135.171%0.71278%0.783SS**  trans28.5119.2134.2-64.6162.4000124.5
636S42.7Very low45.5Very low111 Ų111133 Ų13378%0.77678%0.782SS**  63.4170.8125.2-88.10000121.2
637P51.8Low45.2Very low107 Ų107135.7 Ų135.770%0.69578%0.784SS**  cis-137.4176.512.741.2-22.5000119.3
638S48.2Very low45.1Very low119 Ų119138.1 Ų138.183%0.83278%0.784SS**  trans69.9149.3147.652.80000122.5
639A38Very low44Very low90 Ų90141.1 Ų141.174%0.74479%0.79SS**  trans-117.8-178.8176.500000111.2
640P52.2Low43.7Very low132 Ų132146.5 Ų146.586%0.85779%0.794SS**  -140.3175.2113.339.7-28.6000114.9
641S39.4Very low43.8Very low105 Ų105141.9 Ų141.973%0.73479%0.788SS**  trans-99.1155.617951.80000113.4
642F45.1Very low43.8Very low203 Ų203144.5 Ų144.589%0.8979%0.792SS**  trans-154.2177.2150.1-111-70.3000111.5
643D39.6Very low43.8Very low123 Ų123141.6 Ų141.666%0.65879%0.789SS**  trans-102.3171.5-144.1-96.5-40000118.5
644H36.9Very low44.6Very low166 Ų166137 Ų13777%0.76979%0.787SS**  trans-3133.7158.6-48.2-55.6000117.3
645S36.4Very low45Very low101 Ų101138.5 Ų138.571%0.70679%0.793SS**  -177.3168.361.4590000114
646T41.8Very low44.9Very low130 Ų130141.8 Ų141.880%0.79880%0.802SS**  trans67.6159.4161.231.60000120.4
647V41.3Very low45Very low134 Ų134148.2 Ų148.281%0.81281%0.809SS**  trans88.8102.4172.6-169.20000118.2
648R40.3Very low44.5Very low243 Ų243146.6 Ų146.692%0.91781%0.813SS**  trans19.2112.2149-71.6177.4165.9156.5-4.6119.1
649M38.8Very low44.5Very low182 Ų182145.6 Ų145.690%0.89781%0.811SS**  trans-70127158.4-74.8-87.7-83.900111.4
650R49.5Very low44.7Very low242 Ų242153.4 Ų153.491%0.91382%0.822SS**  trans-117.4123.1152-97.9-171.1169.1-166.8-3.1107.6
651S42.6Very low44.3Very low111 Ų111150.6 Ų150.678%0.77682%0.817SS**PPolyproline II helixtrans-67.9127.1-175.9-58.30000112.2
652P53Low44.5Very low125 Ų125151.1 Ų151.181%0.81282%0.82SS**PPolyproline II helixtrans-83139.1174.532.5-33.2000111.6
653A47.9Very low44Very low90 Ų90153 Ų15374%0.74482%0.821SS**PPolyproline II helixtrans-74.1142.9173.900000111.9
654P59.7Low44Very low118 Ų118158.7 Ų158.777%0.76683%0.834SS**PPolyproline II helixtrans-77.6133.1-17530.2-34.9000113.2
655V52.9Low44.3Very low141 Ų141154.3 Ų154.386%0.85583%0.826SS**  trans-90.6105.9176.1179.70000110.7
656F45.2Very low44.7Very low204 Ų204155.3 Ų155.390%0.89583%0.83SS**  trans-81.3131.5169.6-105.6-90.5000111.7
657R45.4Very low44.9Very low246 Ų246160 Ų16093%0.92883%0.833SS**  trans-117100.9-179.9-178.5-172.4-92.4-150.3-1.9110
658G41.6Very low44.9Very low74 Ų74159.3 Ų159.376%0.76383%0.831SS**  trans-132.7138.4-174.400000114.6
659A46.4Very low45Very low97 Ų97157.6 Ų157.680%0.80283%0.831SS**  trans-42.3133.6-171.400000120
660R43.8Very low45.1Very low255 Ų255159.5 Ų159.596%0.96283%0.828SS**  trans38.796.7141.3-61.2-175.5-178.6-134.11.6118.9
661G43.7Very low44.5Very low73 Ų73153.5 Ų153.575%0.75382%0.821SS**  trans-178.3135.8158.100000112.4
662S43.1Very low44.4Very low115 Ų115155.2 Ų155.280%0.80482%0.821SS**  trans13.2102.2170-58.20000118.5W664S662-W664 PolarHBondContact O-N 3.3Å
663R34.9Very low43.6Very low242 Ų242156.4 Ų156.491%0.91382%0.821SS**  trans-69.595.4178.1-176.1-164.7-71.3-152.6-0.6112.2
664W39.1Very low43.2Very low243 Ų243157.2 Ų157.292%0.9282%0.818SS**  trans-97.3120.5152.7-74.890.7000108.8S662S662-W664 PolarHBondContact O-N 3.3Å
665A43.8Very low42Very low74 Ų74156.6 Ų156.661%0.61282%0.817SS**  trans-110.4124.1173.600000108.7R667A665-R667 PolarHBondContact O-N 2.89Å
666P44.5Very low41.3Very low122 Ų122156.3 Ų156.379%0.79281%0.811SS**PPolyproline II helixtrans-63134.7169.727.7-32.9000108.8
667R44.5Very low40.8Very low229 Ų229157.6 Ų157.686%0.86481%0.81SS**PPolyproline II helixtrans-70.4128.3176.2-71.8-178.5176.5-118.32.7108.9A665 F669A665-R667 PolarHBondContact O-N 2.89Å; R667-F669 PolarHBondContact O-N 3.09Å
668P43.3Very low40.5Very low119 Ų119157.5 Ų157.577%0.77381%0.809SS**PPolyproline II helixtrans-69.2120.1168.128.8-32000108.7R670P668-R670 PolarHBondContact O-N 2.73Å
669F40.6Very low40.9Very low207 Ų207159.5 Ų159.591%0.90881%0.809SS**PPolyproline II helixtrans-66.5124.2168.3-95.4-90.9000109.2R667R667-F669 PolarHBondContact O-N 3.09Å
670R41.8Very low40.3Very low222 Ų222162.6 Ų162.684%0.83881%0.812SS**PPolyproline II helixtrans-90.4119162.3-73.3-173.2173.8-160.9-0.8108P668P668-R670 PolarHBondContact O-N 2.73Å
671P36.9Very low40.1Very low117 Ų117159.2 Ų159.276%0.7681%0.809SS**PPolyproline II helixtrans-70.5126.5159.230.5-30.5000107.8
672N40Very low39.8Very low146 Ų146161.4 Ų161.478%0.78181%0.81SS**  trans-160.978.4174-123.442.2000111.6
673D36.1Very low39.5Very low151 Ų151161 Ų16181%0.80781%0.807SS**  trans67.1165.1132.5-110.327.9000120.8
674P40Very low40.4Very low106 Ų106155.7 Ų155.769%0.68880%0.804SS**  -136.4131.8-114.235-13.5000115.6
675S35.3Very low40.2Very low106 Ų106150.1 Ų150.174%0.74180%0.797SS**  trans-161.8154.6160.660.70000114.7
676N37.4Very low40.1Very low134 Ų134151.2 Ų151.272%0.71780%0.8SS**  trans93.487.9174.5-53.7-59.4000115
677R35.4Very low39.8Very low232 Ų232151.9 Ų151.988%0.87580%0.797SS**  78.593.178.7-79.1-173.1173.1-138.6-0.4112.6
678W37.9Very low39.5Very low244 Ų244148 Ų14892%0.92479%0.794SS**PPolyproline II helixtrans-61.5143156.5-63.369.3000109.9
679P49.7Very low39.4Very low116 Ų116146.5 Ų146.575%0.75379%0.791SS**PPolyproline II helixtrans-80.1137.9159.332.7-30.3000109.8
680N35.6Very low39.3Very low162 Ų162142.4 Ų142.487%0.86678%0.784SS**PPolyproline II helixtrans-65.4143.4169.3-66-14000110.1
681M38.1Very low39.4Very low184 Ų184142.7 Ų142.791%0.90679%0.785SS**  trans-121.9143.9154.4-101.6-169.7158.400109.7
682P38.3Very low39.4Very low118 Ų118145.6 Ų145.677%0.76679%0.788SS**PPolyproline II helixtrans-86.5155.7-16935-36.1000113.1
683S35.8Very low40.1Very low107 Ų107146.7 Ų146.775%0.74879%0.788SS**PPolyproline II helixtrans-66.9138.9166.4-46.80000111.2
684P53.7Low40.4Very low130 Ų130146 Ų14684%0.84478%0.784SS**PPolyproline II helixtrans-75.1133.1157.231.7-30.9000109.7
685T36.6Very low40.5Very low126 Ų126146.4 Ų146.477%0.77379%0.785SS**  trans-107.8165.8172.849.20000110.5
686S41.3Very low41.1Very low97 Ų97146.9 Ų146.968%0.67879%0.785SS**  trans75.2132.4174.5137.90000114
687D38.1Very low41.3Very low137 Ų137151.6 Ų151.673%0.73380%0.795SS**  cis-145-167.8-7.9-75.3-51.3000108.3
688N38.4Very low41.8Very low147 Ų147144.1 Ų144.179%0.78679%0.79SS**  cis-160.2-16312.9-152.8-78.5000110.3
689A40.3Very low41.8Very low87 Ų87135.9 Ų135.972%0.71978%0.781SS**  trans71.462.815800000119
690T37.8Very low41.5Very low122 Ų122136.7 Ų136.775%0.74879%0.789SS**  trans-77.1152.3163.4-24.60000112.8
691W45Very low41.8Very low228 Ų228132.9 Ų132.986%0.86479%0.788SS**  trans-147108.8150.8-86.999.8000111.2
692E36.3Very low41.8Very low177 Ų177127.7 Ų127.783%0.82778%0.782SS**  trans-139.8152.4166.1-81.9-163.815600109.6
693H54.7Low42.1Very low170 Ų170128.6 Ų128.679%0.78779%0.788SS**  trans-121.379.6-175.4-113.5-71.7000113.8
694N42.2Very low42.4Very low135 Ų135127.6 Ų127.672%0.72279%0.794SS**  trans-8.7146.2131.7-94.2-33.4000116.6
695V42.2Very low41.6Very low115 Ų115125 Ų12570%0.69779%0.791SS**  cis-163.2-157.7-4.2-123.40000105.8
696P48Very low41.8Very low116 Ų116127.1 Ų127.175%0.75380%0.795SS**  cis-119.1166.2-28.521.61.7000112.5
697Y42.3Very low41.8Very low233 Ų233126.8 Ų126.891%0.91480%0.799SS**  cis96.5115.436.3-136.2-74.9000115.4
698G45.1Very low41.9Very low76 Ų76127.9 Ų127.978%0.78480%0.804SS**  trans130.5136.6172.500000113.9
699G39.4Very low42.4Very low70 Ų70126.4 Ų126.472%0.72280%0.803SS**  cis169143.3-10.300000114.2
700S43.1Very low42.5Very low133 Ų133130.3 Ų130.393%0.9381%0.809SS**  trans72.1150.417080.60000119.7
701G41.6Very low42.8Very low82 Ų82131.8 Ų131.885%0.84581%0.811SS**  trans100.398.7151.900000118.6
702G37.8Very low42.7Very low75 Ų75128.2 Ų128.277%0.77380%0.804SS**  trans-135.9-164.1151.300000108.9
703P44.4Very low43Very low138 Ų138127.8 Ų127.890%0.89680%0.802SS**  cis-123.6160.2-19.638.8-25.9000112.2
704G41.2Very low42.3Very low85 Ų85124.2 Ų124.288%0.87680%0.801SS**  trans-172.4131171.900000111.6
705G37.2Very low42Very low75 Ų75128.9 Ų128.977%0.77381%0.809SS**  trans-111.4161.8178.900000112.5
706I42.5Very low42.4Very low171 Ų171129.5 Ų129.588%0.87782%0.815SS**  trans-157.9141.1156.5-96.4144.3000106
707A40.4Very low41.8Very low90 Ų90128.6 Ų128.674%0.74481%0.811SS**  trans-102.1152.2176.200000110.9
708N40.9Very low41.6Very low160 Ų160125 Ų12586%0.85681%0.808SS**  trans-158.4122164-122-21000112.2
709P48.4Very low41.4Very low117 Ų117128.4 Ų128.476%0.7681%0.807SS**  trans-113.1131.6177.936.9-27.5000114
710M41.5Very low41.5Very low169 Ų169130.6 Ų130.683%0.83380%0.802SS**  trans-149.1147.6166.1-70.1-171.87600107
711L45.2Very low41.6Very low152 Ų152134.5 Ų134.580%0.79680%0.796SS**  cis-140.4176.918-113134.5000111.6
712Q42.6Very low41.7Very low153 Ų153135.6 Ų135.672%0.71579%0.789SS**  trans-133.1163.7-173.5-60.1173.6-52.600113.7
713H42.5Very low41.8Very low169 Ų169140.2 Ų140.278%0.78279%0.79SS**  trans70.5160.5161-50.3-53.2000116.7
714A40Very low42Very low94 Ų94141.2 Ų141.278%0.77779%0.787SS**  cis-144.5164.77.700000113.4
715R36Very low41.8Very low233 Ų233144.8 Ų144.888%0.87978%0.783SS**  trans-92.7158.6158.3-88.8-173.9172.8-174.6-1.8110.2
716P49.7Very low42Very low128 Ų128153 Ų15383%0.83179%0.792SS**  trans-128.5163.413537.6-29.4000113.1
717S36.5Very low42Very low97 Ų97149.1 Ų149.168%0.67879%0.787SS**  trans-159.1134.9176.855.20000109.6
718L37.9Very low42.3Very low159 Ų159150.4 Ų150.483%0.83279%0.787SS**  trans176.7142.9159-102.8157.6000112
719L41.1Very low42.1Very low146 Ų146150 Ų15076%0.76479%0.785SS**  trans66.2149.6160.8-60161.6000116.8
720D41.3Very low41.6Very low117 Ų117153.4 Ų153.463%0.62679%0.788SS**  cis-148.3154.27.6-147.3-6.1000113.9
721R45.5Very low41.4Very low215 Ų215149.4 Ų149.481%0.81178%0.777SS**  trans15171150.9-79.8169.5161.6178-6.5124.9
722P43.4Very low41.1Very low105 Ų105147.3 Ų147.368%0.68278%0.775SS**  cis-144.5172-3540.6-22.7000117.1
723H40.2Very low40.9Very low171 Ų171145.8 Ų145.879%0.79278%0.776SS**  trans20.2130.1148.4-77-84.3000125.1
724D47.5Very low40.7Very low159 Ų159149.2 Ų149.285%0.8578%0.782SS**  -159.7118.9120.9-96.4-31.3000107.2
725M37.7Very low40.7Very low160 Ų160154.2 Ų154.279%0.78879%0.787SS**  5897.173.3-89.6-156.7166.900117.3
726Y41.8Very low41.3Very low247 Ų247148.4 Ų148.497%0.96978%0.779SS**  -162.7168.5125.1-103-69.1000110.5
727A42.1Very low40.9Very low91 Ų91148.6 Ų148.675%0.75278%0.78SS**  trans-128173-161.300000113.1
728P47.1Very low41.1Very low116 Ų116149 Ų14975%0.75379%0.79SS**  trans-110-178.5-150.843-37.8000115.2
729D36.8Very low41.5Very low152 Ų152145.8 Ų145.881%0.81379%0.786SS**  trans-166.2-178.6137.9-117.8-32.2000114.9
730F37.2Very low41.5Very low188 Ų188145 Ų14583%0.82579%0.79SS**  trans91.160.7170.3-70-80.2000121.4
731S38.3Very low41.7Very low86 Ų86148 Ų14860%0.60181%0.805SS**  46.6120.8115.267.50000123.8
732S38.8Very low42Very low108 Ų108142 Ų14276%0.75580%0.801SS**  trans68.9151.1134.475.10000119.8
733T37.7Very low42Very low121 Ų121143.1 Ų143.174%0.74281%0.808SS**  cis-148.5157.47.7-310000111.3
734R37.4Very low42.7Very low241 Ų241142.1 Ų142.191%0.90981%0.814SS**  trans-115.2154167.6-92.2-171.1176.8-169.60.4111.3
735F40Very low42.5Very low199 Ų199146.4 Ų146.487%0.87382%0.818SS**  trans-128.5135.8160.6-94.1-81000111
736P48.9Very low42.7Very low111 Ų111142.4 Ų142.472%0.72182%0.818SS**PPolyproline II helixtrans-97.9168.4175.938-34.2000113.4
737P41.3Very low42.7Very low131 Ų131134.9 Ų134.985%0.85182%0.816SS**PPolyproline II helixtrans-83.3166.7-176.734.4-37.1000114.7
738A41.1Very low42.6Very low106 Ų106134.7 Ų134.788%0.87682%0.823SS**PPolyproline II helixtrans-101.1154.8179.900000113.8
739A45.5Very low42.3Very low91 Ų91133.1 Ų133.175%0.75283%0.828SS**PPolyproline II helixtrans-99.6163.7-176.600000112.8
740P42.1Very low42.6Very low131 Ų131130.1 Ų130.185%0.85183%0.833SS**PPolyproline II helixtrans-83.2160.9-169.333.7-36.4000114.8
741L45.1Very low42.8Very low178 Ų178124.8 Ų124.893%0.93283%0.831SS**PPolyproline II helixtrans-102.8154.2176.1-75.5172.6000113.4
742A51.4Low43Very low89 Ų89128 Ų12874%0.73684%0.841SS**PPolyproline II helixtrans-81.6165.3-17500000113.6
743P43.7Very low43.2Very low129 Ų129132.9 Ų132.984%0.83884%0.843SS**PPolyproline II helixtrans-82.1148-165.732.3-35.8000114.9
744V54.9Low43.5Very low151 Ų151136.9 Ų136.992%0.91585%0.845SS**PPolyproline II helixtrans-89.3143.6175177.80000111.1
745R43.4Very low44.1Very low248 Ų248132.6 Ų132.694%0.93684%0.84SS**  trans-132.7117.6-174.9-178.5-169.3-170.9-161.46.3111.1
746G41.3Very low44.1Very low76 Ų76134 Ų13478%0.78484%0.841SS**  trans145141.916200000116.5
747G42.1Very low44.2Very low90 Ų90140.6 Ų140.693%0.92885%0.851SS**  trans80.8139.6169.900000115.7
748G40.1Very low44.3Very low87 Ų87145.8 Ų145.890%0.89785%0.854SS**  cis145.2118-14.700000114.6
749G40.5Very low44.6Very low83 Ų83153.3 Ų153.386%0.85687%0.874SS**  trans108.4126.4158.700000117.3
750G43.8Very low44.6Very low89 Ų89156.4 Ų156.492%0.91888%0.88SS**  trans78.6147.2164.700000116.6
751G41.4Very low44.7Very low75 Ų75157.7 Ų157.777%0.77388%0.882SS**  cis161.2122.8-12.400000114.6
752N42.8Very low44.7Very low155 Ų155156.6 Ų156.683%0.82988%0.879SS**  trans56.3104.4154.4-101.3-33.5000119.4
753R42.6Very low44.3Very low209 Ų209160.6 Ų160.679%0.78989%0.887SS**  172.8136104.8-91.8158.4-173.7-154.92.7114.7
754R43.6Very low44.4Very low206 Ų206162.6 Ų162.678%0.77789%0.89SS**  trans32128.8132.7-53.2-179.7-177.1177-0.7118
755N50.9Low43.7Very low151 Ų151163.3 Ų163.381%0.80789%0.889SS**  cis-157.9150.944.5-77.6-71.8000112.9
756Y40.5Very low43.7Very low228 Ų228157.3 Ų157.389%0.89489%0.885SS**  trans-87.5143.9151.7-87.4-93.6000109.9
757R50.7Low43.9Very low250 Ų250163.5 Ų163.594%0.94389%0.893SS**  trans-136.1129.3152.4-128.9-177.8-170.1-160.61.9108.9
758R43Very low44Very low239 Ų239169.7 Ų169.790%0.90289%0.89SS**  trans-85.7141.6173.4-60.9177.1177.3-179.1-2.5109.2
759M48Very low44.4Very low264 Ų264177.2 Ų177.2100%1.389%0.89SS**  -144.1097.5-97.6-177169.600109.4

Retrieved 759 of 759 residues in 167.4 ms (Link to these results)