A0A077ZN01_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZN01, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.4Very low78.5Confident242 Ų242166.7 Ų166.7100%1.19277%0.77SS**  0102.10-169.1-178.7-95.200107.2R3M1-R3 PolarHBondContact O-N 2.64Å
2F54.2Low79.9Confident212 Ų212167.4 Ų167.493%0.9377%0.77SS**  trans-72.1115.3178.6-84.1-88.8000108.7A4F2-A4 PolarHBondContact O-N 2.85Å
3R61.1Low81.1Confident244 Ų244155.8 Ų155.892%0.92172%0.717SS**  trans-68.6116167.5-113.5179.7172.7169.8-2.1106.9M1 M5M1-R3 PolarHBondContact O-N 2.64Å; R3-M5 PolarHBondContact O-N 3.49Å
4A76.9Confident82.1Confident78 Ų78149.4 Ų149.465%0.64570%0.699SS**PPolyproline II helixtrans-59.1124.2170.100000108.5F2F2-A4 PolarHBondContact O-N 2.85Å
5M80.3Confident83.1Confident149 Ų149142 Ų14273%0.73468%0.679SS**PPolyproline II helixtrans-88.1119.2176.4-143.5167.179.600107.9R3 H7R3-M5 PolarHBondContact O-N 3.49Å; M5-H7 WeakPolarHBondContact CE-CE1 3.39Å; M5-H7 WeakPolarHBondContact CE-NE2 3.33Å
6H84.9Confident83.9Confident151 Ų151135.2 Ų135.270%0.69966%0.657SS**PPolyproline II helixtrans-87.6122177.7-67.7-88000109.5F8H6-F8 HydrophobicContact CB-CE2 4Å; H6-F8 HydrophobicContact CB-CZ 4.43Å
7H88.3Confident84.7Confident131 Ų131129.4 Ų129.461%0.60663%0.632SS**  trans-104.7126.6174.3-68.1-98.9000109.6M5M5-H7 WeakPolarHBondContact CE-CE1 3.39Å; M5-H7 WeakPolarHBondContact CE-NE2 3.33Å
8F88.5Confident85.5Confident148 Ų148122.2 Ų122.265%0.64960%0.597SS**  trans-112126.9173.5-63.2-84.5000109.1H6 Y10H6-F8 HydrophobicContact CB-CE2 4Å; H6-F8 HydrophobicContact CB-CZ 4.43Å; F8-Y10 HydrophobicContact CB-CD2 4.15Å; F8-Y10 HydrophobicContact CB-CE2 3.32Å; F8-Y10 WeakPolarHBondContact CB-OH 3.21Å; F8-Y10 HydrophobicContact CG-CE2 4.3Å
9H92.9Very high86.2Confident176 Ų176119.6 Ų119.682%0.81558%0.583SS**  trans-102.2120.3177.9-65.2-107.9000108.5
10Y92.5Very high86.8Confident186 Ų186120.9 Ų120.973%0.72958%0.581SS**  trans-119.2163.1-178.5-61.8-74.2000111.1F8 F12F8-Y10 HydrophobicContact CB-CD2 4.15Å; F8-Y10 HydrophobicContact CB-CE2 3.32Å; F8-Y10 WeakPolarHBondContact CB-OH 3.21Å; F8-Y10 HydrophobicContact CG-CE2 4.3Å; Y10-F12 PolarHBondContact O-N 3.08Å
11E94.3Very high87.3Confident117 Ų117116.1 Ų116.155%0.54756%0.562SS.*  trans-60.1133.1166.3-179.6-176.5177.100110.6L13 K69E11-L13 HydrophobicContact CG-CD2 4.21Å; E11-K69 WeakPolarHBondContact OE1-CE 3.43Å; E11-K69 IonicContact OE1-NZ 2.85Å; E11-K69 PolarHBondContact OE1-NZ 2.8Å; E11-K69 WeakPolarHBondContact OE2-CD 3.43Å; E11-K69 WeakPolarHBondContact OE2-CE 3.42Å; E11-K69 IonicContact OE2-NZ 2.64Å; E11-K69 PolarHBondContact OE2-NZ 3.25Å
12F95.4Very high89.6Confident175 Ų175105 Ų10577%0.76851%0.508SS*.  trans-82.6122.9174.1179.1-114.4000111.1Y10Y10-F12 PolarHBondContact O-N 3.08Å
13L95.8Very high91.6Very high16 Ų16100.2 Ų100.28%0.08449%0.491CS..  trans-110.695-177.9-66172.4000110.1E11 G15 L61 L62 K69 T71E11-L13 HydrophobicContact CG-CD2 4.21Å; L13-G15 VanDerWaalsContact C-N 3.26Å; L13-G15 PolarHBondContact O-N 3.27Å; L13-L61 HydrophobicContact CB-CB 3.93Å; L13-L61 HydrophobicContact CB-CD1 4.23Å; L13-L61 HydrophobicContact CD1-CB 3.41Å; L13-L61 VanDerWaalsContact CD1-CB 3.41Å; L13-L61 HydrophobicContact CD1-CD1 4.03Å; L13-L61 HydrophobicContact CD1-CG 4.31Å; L13-L61 HydrophobicContact CG-CB 4.32Å; L13-L62 CarbonylContact C-O 3.38Å; L13-L62 WeakPolarHBondContact CB-O 3.5Å; L13-K69 HydrophobicContact CD1-CB 3.61Å; L13-K69 HydrophobicContact CD1-CD 3.97Å; L13-K69 HydrophobicContact CD1-CG 3.8Å; L13-K69 HydrophobicContact CD2-CD 3.8Å; L13-K69 HydrophobicContact CD2-CG 3.98Å; L13-K69 HydrophobicContact CG-CD 4.5Å; L13-T71 HydrophobicContact CD1-CG2 4.38Å
14S95.4Very high93.3Very high67 Ų6795.5 Ų95.547%0.46948%0.477SS..THydrogen-bonded Turntrans-74.5-6.7-169.567.20000115.4G16S14-G16 VanDerWaalsContact C-N 3.3Å
15G96.1Very high94.1Very high38 Ų3893.9 Ų93.939%0.39247%0.468SS..THydrogen-bonded Turntrans-82.4-3.9-178.500000114.1L13 L62L13-G15 VanDerWaalsContact C-N 3.26Å; L13-G15 PolarHBondContact O-N 3.27Å; G15-L62 WeakPolarHBondContact CA-O 3.41Å; G15-L62 PolarHBondContact N-O 3.47Å
16G97Very high94.8Very high33 Ų3387.6 Ų87.634%0.3444%0.437SS..  trans77.5-163-178.700000113.1S14 L61 L62S14-G16 VanDerWaalsContact C-N 3.3Å; G16-L61 CarbonylContact O-C 3.6Å; G16-L61 WeakPolarHBondContact O-CA 3.37Å; G16-L62 PolarHBondContact O-N 2.9Å
17T98Very high95.4Very high36 Ų3683 Ų8322%0.22142%0.421CS..BIsolated β-bridgetrans-91.2151.8-178.762.10000111.5E19 W20 A21 L60 L61T17-E19 PolarHBondContact O-N 3.21Å; T17-W20 PolarHBondContact O-N 3.37Å; T17-W20 WeakPolarHBondContact OG1-CB 3.29Å; T17-W20 PolarHBondContact OG1-N 3.07Å; T17-W20 VanDerWaalsContact OG1-N 3.08Å; T17-A21 PolarHBondContact O-N 3.43Å; T17-L60 CarbonylContact C-O 3.33Å; T17-L60 WeakPolarHBondContact CA-O 3.39Å; T17-L61 HydrophobicContact CG2-CD2 3.51Å
18V98.6Very high95.7Very high0 Ų077.3 Ų77.30%040%0.395CS..Hα-helixtrans-62.3-33.5168.2178.10000110.5W20 A21 V22 L26 Y34 L57 L60 L62 L68 M126V18-W20 VanDerWaalsContact C-N 3.31Å; V18-W20 PolarHBondContact O-N 3.12Å; V18-A21 CarbonylContact O-C 3.52Å; V18-A21 WeakPolarHBondContact O-CA 3.49Å; V18-A21 WeakPolarHBondContact O-CB 3.47Å; V18-A21 PolarHBondContact O-N 2.87Å; V18-A21 VanDerWaalsContact O-N 3.08Å; V18-V22 HydrophobicContact CG1-CG2 4.27Å; V18-V22 WeakPolarHBondContact O-CG2 3.14Å; V18-V22 PolarHBondContact O-N 3.09Å; V18-L26 HydrophobicContact CG1-CD2 4.5Å; V18-Y34 HydrophobicContact CG1-CD2 4.31Å; V18-Y34 HydrophobicContact CG2-CD2 4.25Å; V18-L57 HydrophobicContact CG1-CD2 3.95Å; V18-L60 HydrophobicContact CB-CB 3.9Å; V18-L60 HydrophobicContact CG2-CB 3.52Å; V18-L60 PolarHBondContact N-O 3.23Å; V18-L62 HydrophobicContact CG2-CD1 4.41Å; V18-L62 HydrophobicContact CG2-CD2 3.98Å; V18-L62 HydrophobicContact CG2-CG 4.1Å; V18-L68 HydrophobicContact CG2-CD1 3.9Å; V18-M126 HydrophobicContact CG1-CG 3.95Å; V18-M126 HydrophobicContact CG1-SD 3.71Å
19E98.5Very high95.9Very high73 Ų7372.3 Ų72.334%0.34138%0.375SS..Hα-helixtrans-52.9-47.5172.9-177.1178.3-110.600112.2T17 A21 V22 I23 L57 K58T17-E19 PolarHBondContact O-N 3.21Å; E19-A21 VanDerWaalsContact C-N 3.33Å; E19-A21 PolarHBondContact O-N 2.95Å; E19-V22 PolarHBondContact O-N 2.9Å; E19-I23 HydrophobicContact CG-CD1 4.19Å; E19-I23 WeakPolarHBondContact O-CG1 3.28Å; E19-I23 PolarHBondContact O-N 3.02Å; E19-L57 HydrophobicContact CB-CB 3.72Å; E19-L57 HydrophobicContact CG-CB 4.4Å; E19-L57 PolarHBondContact N-O 3.22Å; E19-K58 HydrophobicContact CB-CB 4.38Å; E19-K58 WeakPolarHBondContact OE2-CB 3.45Å
20W97.5Very high96Very high145 Ų14565.6 Ų65.655%0.54935%0.347SS..Hα-helixtrans-64.9-38.9177.1-171.2-114.4000112.2T17 V18 V22 I23 K24T17-W20 PolarHBondContact O-N 3.37Å; T17-W20 WeakPolarHBondContact OG1-CB 3.29Å; T17-W20 PolarHBondContact OG1-N 3.07Å; T17-W20 VanDerWaalsContact OG1-N 3.08Å; V18-W20 VanDerWaalsContact C-N 3.31Å; V18-W20 PolarHBondContact O-N 3.12Å; W20-V22 VanDerWaalsContact C-N 3.32Å; W20-V22 PolarHBondContact O-N 2.8Å; W20-I23 HydrophobicContact CE3-CD1 4.12Å; W20-I23 HydrophobicContact CE3-CG2 4.41Å; W20-I23 HydrophobicContact CZ3-CG2 4.36Å; W20-I23 PolarHBondContact O-N 3.25Å; W20-K24 VanDerWaalsContact CE2-CE 3.48Å; W20-K24 WeakPolarHBondContact O-CG 3.14Å; W20-K24 PolarHBondContact O-N 3.25Å
21A97.7Very high96.2Very high22 Ų2256.8 Ų56.818%0.18231%0.312CS..Hα-helixtrans-61.7-40.817500000111.6T17 V18 E19 K24 G25 L26 L62T17-A21 PolarHBondContact O-N 3.43Å; V18-A21 CarbonylContact O-C 3.52Å; V18-A21 WeakPolarHBondContact O-CA 3.49Å; V18-A21 WeakPolarHBondContact O-CB 3.47Å; V18-A21 PolarHBondContact O-N 2.87Å; V18-A21 VanDerWaalsContact O-N 3.08Å; E19-A21 VanDerWaalsContact C-N 3.33Å; E19-A21 PolarHBondContact O-N 2.95Å; A21-K24 PolarHBondContact O-N 2.76Å; A21-G25 PolarHBondContact O-N 2.78Å; A21-L26 HydrophobicContact CB-CD1 4.02Å; A21-L26 PolarHBondContact O-N 2.89Å; A21-L62 HydrophobicContact CB-CD1 4.5Å
22V98.1Very high96.3Very high9 Ų951.9 Ų51.96%0.05529%0.29CS..Hα-helixtrans-62.7-46.4175.1172.80000111.2V18 E19 W20 K24 G25 L26 L57 A125 M126 S129V18-V22 HydrophobicContact CG1-CG2 4.27Å; V18-V22 WeakPolarHBondContact O-CG2 3.14Å; V18-V22 PolarHBondContact O-N 3.09Å; E19-V22 PolarHBondContact O-N 2.9Å; W20-V22 VanDerWaalsContact C-N 3.32Å; W20-V22 PolarHBondContact O-N 2.8Å; V22-K24 PolarHBondContact O-N 2.71Å; V22-G25 PolarHBondContact O-N 2.89Å; V22-L26 HydrophobicContact CG2-CB 4.31Å; V22-L26 HydrophobicContact CG2-CD2 3.92Å; V22-L57 HydrophobicContact CB-CD1 4.48Å; V22-L57 HydrophobicContact CG2-CD1 4.17Å; V22-L57 HydrophobicContact CG2-CD2 4.45Å; V22-A125 WeakPolarHBondContact CG1-O 3.48Å; V22-M126 HydrophobicContact CG2-CB 4.42Å; V22-M126 HydrophobicContact CG2-CG 4.08Å; V22-S129 PolarHBondContact O-OG 3.31Å
23I96.9Very high96.4Very high110 Ų11047.1 Ų47.156%0.56427%0.27SS*.Hα-helixtrans-58.2-37.7176.3-69.6166.4000111.3E19 W20 G25E19-I23 HydrophobicContact CG-CD1 4.19Å; E19-I23 WeakPolarHBondContact O-CG1 3.28Å; E19-I23 PolarHBondContact O-N 3.02Å; W20-I23 HydrophobicContact CE3-CD1 4.12Å; W20-I23 HydrophobicContact CE3-CG2 4.41Å; W20-I23 HydrophobicContact CZ3-CG2 4.36Å; W20-I23 PolarHBondContact O-N 3.25Å; I23-G25 PolarHBondContact O-N 3.31Å
24K95Very high96.5Very high145 Ų14546.9 Ų46.963%0.6327%0.268SS*.THydrogen-bonded Turntrans-77.2-4.9178.3-69.1-66.3-178.3-175.60114.5W20 A21 V22W20-K24 VanDerWaalsContact CE2-CE 3.48Å; W20-K24 WeakPolarHBondContact O-CG 3.14Å; W20-K24 PolarHBondContact O-N 3.25Å; A21-K24 PolarHBondContact O-N 2.76Å; V22-K24 PolarHBondContact O-N 2.71Å
25G94.5Very high96.6Very high44 Ų4443.7 Ų43.745%0.45425%0.246SC..  trans89.664.7-176.600000111.7A21 V22 I23 P27A21-G25 PolarHBondContact O-N 2.78Å; V22-G25 PolarHBondContact O-N 2.89Å; I23-G25 PolarHBondContact O-N 3.31Å; G25-P27 WeakPolarHBondContact O-CD 3.36Å
26L96.1Very high96.6Very high17 Ų1746.1 Ų46.19%0.08925%0.246CC..  trans-53.2121.1175.4-17663.9000110.3V18 A21 V22 T30 A31 Y34 M126V18-L26 HydrophobicContact CG1-CD2 4.5Å; A21-L26 HydrophobicContact CB-CD1 4.02Å; A21-L26 PolarHBondContact O-N 2.89Å; V22-L26 HydrophobicContact CG2-CB 4.31Å; V22-L26 HydrophobicContact CG2-CD2 3.92Å; L26-T30 HydrophobicContact CD1-CG2 3.64Å; L26-A31 HydrophobicContact CD2-CB 3.85Å; L26-A31 HydrophobicContact CG-CB 4.25Å; L26-Y34 HydrophobicContact CD1-CD2 4.12Å; L26-Y34 HydrophobicContact CD1-CE2 3.74Å; L26-Y34 HydrophobicContact CD2-CD2 4.2Å; L26-M126 HydrophobicContact CD2-CB 3.92Å; L26-M126 HydrophobicContact CD2-CG 4Å; L26-M126 HydrophobicContact CD2-SD 4.25Å
27P95.7Very high96.6Very high55 Ų5546.7 Ų46.736%0.35724%0.239SC..  trans-61.6143.2173.4-23.234.8000110.3G25 D29 T30 A31G25-P27 WeakPolarHBondContact O-CD 3.36Å; P27-D29 VanDerWaalsContact C-N 3.27Å; P27-D29 WeakPolarHBondContact CB-OD1 3.28Å; P27-D29 PolarHBondContact O-N 3.16Å; P27-T30 WeakPolarHBondContact O-CA 3.34Å; P27-T30 WeakPolarHBondContact O-CB 3.41Å; P27-T30 PolarHBondContact O-N 2.82Å; P27-A31 PolarHBondContact O-N 2.94Å
28V94.6Very high96.6Very high11 Ų1145 Ų457%0.06723%0.229CC..Hα-helixtrans-70.3-29.2-168.4-176.30000111.3A31 I32 L127 P161 W198 A205V28-A31 WeakPolarHBondContact O-CB 3.37Å; V28-A31 PolarHBondContact O-N 3.3Å; V28-I32 WeakPolarHBondContact O-CG1 3.28Å; V28-I32 PolarHBondContact O-N 3.19Å; V28-I32 VanDerWaalsContact O-N 3.09Å; V28-L127 HydrophobicContact CG1-CD2 3.48Å; V28-L127 VanDerWaalsContact CG1-CD2 3.48Å; V28-P161 HydrophobicContact CG1-CG 3.5Å; V28-P161 VanDerWaalsContact CG1-CG 3.5Å; V28-W198 VanDerWaalsContact C-NE1 3.33Å; V28-W198 HydrophobicContact CB-CZ2 4.14Å; V28-W198 HydrophobicContact CG1-CH2 4.32Å; V28-W198 HydrophobicContact CG1-CZ2 3.12Å; V28-A205 HydrophobicContact CG2-CB 4.43Å
29D93.6Very high96.6Very high43 Ų4345.1 Ų45.123%0.2323%0.229CC..Hα-helixtrans-61.9-44.7168.841.3-38.5000112.1P27 A31 I32 E33 W198 Q202P27-D29 VanDerWaalsContact C-N 3.27Å; P27-D29 WeakPolarHBondContact CB-OD1 3.28Å; P27-D29 PolarHBondContact O-N 3.16Å; D29-A31 VanDerWaalsContact C-N 3.31Å; D29-A31 PolarHBondContact O-N 3.02Å; D29-I32 PolarHBondContact O-N 2.96Å; D29-E33 PolarHBondContact O-N 3.31Å; D29-W198 HydrophobicContact CB-CB 3.68Å; D29-W198 HydrophobicContact CB-CD2 4.48Å; D29-W198 HydrophobicContact CB-CG 3.58Å; D29-Q202 PolarHBondContact OD1-NE2 3.2Å
30T95.3Very high96.5Very high36 Ų3644.7 Ų44.722%0.22124%0.235CC..Hα-helixtrans-64.6-37.9176-47.40000111.1L26 P27 I32 E33 Y34L26-T30 HydrophobicContact CD1-CG2 3.64Å; P27-T30 WeakPolarHBondContact O-CA 3.34Å; P27-T30 WeakPolarHBondContact O-CB 3.41Å; P27-T30 PolarHBondContact O-N 2.82Å; T30-I32 PolarHBondContact O-N 2.89Å; T30-E33 PolarHBondContact O-N 3.45Å; T30-Y34 HydrophobicContact CG2-CD1 4.33Å; T30-Y34 HydrophobicContact CG2-CD2 4.09Å; T30-Y34 HydrophobicContact CG2-CE1 3.85Å; T30-Y34 HydrophobicContact CG2-CE2 3.59Å; T30-Y34 HydrophobicContact CG2-CG 4.44Å; T30-Y34 VanDerWaalsContact CG2-CZ 3.44Å; T30-Y34 WeakPolarHBondContact O-CB 3.49Å; T30-Y34 VanDerWaalsContact O-CG 3.31Å; T30-Y34 PolarHBondContact O-N 3.23Å
31A97.1Very high96.5Very high0 Ų038.9 Ų38.90%022%0.22CC..Hα-helixtrans-60.3-43.1174.500000112.4L26 P27 V28 D29 F35 M126 L127L26-A31 HydrophobicContact CD2-CB 3.85Å; L26-A31 HydrophobicContact CG-CB 4.25Å; P27-A31 PolarHBondContact O-N 2.94Å; V28-A31 WeakPolarHBondContact O-CB 3.37Å; V28-A31 PolarHBondContact O-N 3.3Å; D29-A31 VanDerWaalsContact C-N 3.31Å; D29-A31 PolarHBondContact O-N 3.02Å; A31-F35 WeakPolarHBondContact O-CB 3.38Å; A31-F35 PolarHBondContact O-N 3.04Å; A31-M126 HydrophobicContact CB-CB 3.8Å; A31-L127 HydrophobicContact CB-CD2 4.07Å
32I96.3Very high96.5Very high15 Ų1537.9 Ų37.98%0.07721%0.211CC..Hα-helixtrans-65.3-42.5176-63.9-55.9000111.3V28 D29 T30 F35 K36 L123 L127 T164 L190 L191 W198V28-I32 WeakPolarHBondContact O-CG1 3.28Å; V28-I32 PolarHBondContact O-N 3.19Å; V28-I32 VanDerWaalsContact O-N 3.09Å; D29-I32 PolarHBondContact O-N 2.96Å; T30-I32 PolarHBondContact O-N 2.89Å; I32-F35 PolarHBondContact O-N 3Å; I32-K36 PolarHBondContact O-N 3.36Å; I32-L123 HydrophobicContact CD1-CD1 4.16Å; I32-L127 HydrophobicContact CD1-CD2 4.1Å; I32-T164 HydrophobicContact CD1-CG2 4.13Å; I32-L190 HydrophobicContact CD1-CD1 4.34Å; I32-L190 HydrophobicContact CD1-CD2 3.82Å; I32-L190 HydrophobicContact CD1-CG 4.08Å; I32-L191 HydrophobicContact CG2-CD2 4.02Å; I32-W198 HydrophobicContact CD1-CH2 4.08Å; I32-W198 HydrophobicContact CD1-CZ3 4.42Å; I32-W198 HydrophobicContact CG1-CE3 4.21Å; I32-W198 HydrophobicContact CG1-CH2 3.69Å; I32-W198 HydrophobicContact CG1-CZ2 4.08Å; I32-W198 HydrophobicContact CG1-CZ3 3.76Å
33E95.9Very high96.5Very high75 Ų7538 Ų3835%0.3521%0.211SC..Hα-helixtrans-64.3-43.8177.7-177.652.9-141.400111.8D29 T30 F35 K36 Q37D29-E33 PolarHBondContact O-N 3.31Å; T30-E33 PolarHBondContact O-N 3.45Å; E33-F35 VanDerWaalsContact C-N 3.33Å; E33-F35 PolarHBondContact O-N 2.82Å; E33-K36 WeakPolarHBondContact O-CB 3.26Å; E33-K36 PolarHBondContact O-N 3.18Å; E33-Q37 WeakPolarHBondContact O-CG 3.39Å; E33-Q37 PolarHBondContact O-N 3.46Å; E33-Q37 PolarHBondContact OE1-NE2 3.43Å
34Y97.8Very high96.5Very high11 Ų1139 Ų394%0.04321%0.209CC..Hα-helixtrans-62.6-40.2173.7-71-10.3000112V18 L26 T30 K36 Q37 L38 L62 N66 L68V18-Y34 HydrophobicContact CG1-CD2 4.31Å; V18-Y34 HydrophobicContact CG2-CD2 4.25Å; L26-Y34 HydrophobicContact CD1-CD2 4.12Å; L26-Y34 HydrophobicContact CD1-CE2 3.74Å; L26-Y34 HydrophobicContact CD2-CD2 4.2Å; T30-Y34 HydrophobicContact CG2-CD1 4.33Å; T30-Y34 HydrophobicContact CG2-CD2 4.09Å; T30-Y34 HydrophobicContact CG2-CE1 3.85Å; T30-Y34 HydrophobicContact CG2-CE2 3.59Å; T30-Y34 HydrophobicContact CG2-CG 4.44Å; T30-Y34 VanDerWaalsContact CG2-CZ 3.44Å; T30-Y34 WeakPolarHBondContact O-CB 3.49Å; T30-Y34 VanDerWaalsContact O-CG 3.31Å; T30-Y34 PolarHBondContact O-N 3.23Å; Y34-K36 VanDerWaalsContact C-N 3.34Å; Y34-K36 PolarHBondContact O-N 3.4Å; Y34-Q37 PolarHBondContact O-N 3.1Å; Y34-L38 WeakPolarHBondContact O-CB 3.42Å; Y34-L38 PolarHBondContact O-N 3.25Å; Y34-L62 HydrophobicContact CD1-CD2 4.14Å; Y34-L62 HydrophobicContact CD2-CD2 4.29Å; Y34-L62 HydrophobicContact CE1-CD2 3.6Å; Y34-L62 HydrophobicContact CE2-CD1 3.83Å; Y34-L62 HydrophobicContact CE2-CD2 3.76Å; Y34-L62 HydrophobicContact CE2-CG 4.43Å; Y34-L62 HydrophobicContact CG-CD2 4.47Å; Y34-L62 WeakPolarHBondContact OH-CD1 3.37Å; Y34-N66 HydrophobicContact CE1-CB 4.16Å; Y34-N66 WeakPolarHBondContact CE1-O 3.13Å; Y34-L68 HydrophobicContact CD1-CB 4.48Å; Y34-L68 HydrophobicContact CG-CD1 4.29Å
35F97.9Very high96.7Very high0 Ų032.8 Ų32.80%018%0.182CC..Hα-helixtrans-64.5-39.2176.2-169.2-108.5000112.3A31 I32 E33 Q37 L38 M39 C119 L123 M126 L167 I171 V185 L191A31-F35 WeakPolarHBondContact O-CB 3.38Å; A31-F35 PolarHBondContact O-N 3.04Å; I32-F35 PolarHBondContact O-N 3Å; E33-F35 VanDerWaalsContact C-N 3.33Å; E33-F35 PolarHBondContact O-N 2.82Å; F35-Q37 VanDerWaalsContact C-N 3.35Å; F35-Q37 PolarHBondContact O-N 3.33Å; F35-L38 HydrophobicContact CD2-CD2 4.02Å; F35-L38 HydrophobicContact CE2-CD2 4.17Å; F35-L38 WeakPolarHBondContact O-CB 3.43Å; F35-L38 PolarHBondContact O-N 3.4Å; F35-M39 HydrophobicContact CD1-CG 4.09Å; F35-M39 HydrophobicContact CD2-CE 4.4Å; F35-M39 HydrophobicContact CE1-CE 4.37Å; F35-M39 HydrophobicContact CE1-CG 3.75Å; F35-M39 HydrophobicContact CE1-SD 3.99Å; F35-M39 HydrophobicContact CE2-CE 3.66Å; F35-M39 HydrophobicContact CE2-SD 4.33Å; F35-M39 HydrophobicContact CZ-CE 3.66Å; F35-M39 HydrophobicContact CZ-CG 4.01Å; F35-M39 HydrophobicContact CZ-SD 3.71Å; F35-M39 WeakPolarHBondContact O-CG 3.46Å; F35-M39 PolarHBondContact O-N 3.35Å; F35-C119 HydrophobicContact CE2-CB 4.09Å; F35-C119 VanDerWaalsContact CE2-O 3.28Å; F35-C119 WeakPolarHBondContact CE2-O 3.46Å; F35-C119 HydrophobicContact CZ-CB 4.46Å; F35-L123 HydrophobicContact CB-CD1 3.87Å; F35-L123 HydrophobicContact CD1-CD1 4.22Å; F35-L123 HydrophobicContact CD1-CD2 3.97Å; F35-L123 HydrophobicContact CD1-CG 4.5Å; F35-L123 HydrophobicContact CD2-CB 3.64Å; F35-L123 HydrophobicContact CD2-CD1 4.13Å; F35-L123 HydrophobicContact CD2-CD2 4.44Å; F35-L123 HydrophobicContact CD2-CG 4.27Å; F35-L123 HydrophobicContact CE1-CD2 3.89Å; F35-L123 HydrophobicContact CE2-CB 3.66Å; F35-L123 HydrophobicContact CE2-CD2 4.39Å; F35-L123 HydrophobicContact CE2-CG 4.49Å; F35-L123 HydrophobicContact CG-CB 4.15Å; F35-L123 HydrophobicContact CG-CD1 3.79Å; F35-L123 HydrophobicContact CG-CD2 4.24Å; F35-L123 HydrophobicContact CG-CG 4.27Å; F35-L123 HydrophobicContact CZ-CB 4.17Å; F35-L123 HydrophobicContact CZ-CD2 4.11Å; F35-M126 HydrophobicContact CB-CE 3.81Å; F35-M126 HydrophobicContact CD2-CE 4.07Å; F35-M126 HydrophobicContact CG-CE 4.42Å; F35-L167 HydrophobicContact CE1-CD2 4.38Å; F35-I171 HydrophobicContact CE1-CD1 4.21Å; F35-I171 HydrophobicContact CZ-CD1 3.94Å; F35-V185 HydrophobicContact CE1-CG1 3.94Å; F35-V185 HydrophobicContact CZ-CG1 4.26Å; F35-L191 HydrophobicContact CD1-CD1 4.05Å; F35-L191 HydrophobicContact CD1-CD2 3.86Å; F35-L191 HydrophobicContact CE1-CD1 4.2Å
36K96.7Very high96.8Very high89 Ų8931.1 Ų31.139%0.38716%0.163SC..Hα-helixtrans-59.6-44.8173.5-177.8179.1-174.5160.70112I32 E33 Y34 M39 S40 L191I32-K36 PolarHBondContact O-N 3.36Å; E33-K36 WeakPolarHBondContact O-CB 3.26Å; E33-K36 PolarHBondContact O-N 3.18Å; Y34-K36 VanDerWaalsContact C-N 3.34Å; Y34-K36 PolarHBondContact O-N 3.4Å; K36-M39 PolarHBondContact O-N 2.94Å; K36-S40 PolarHBondContact O-N 3.28Å; K36-S40 VanDerWaalsContact O-N 3.1Å; K36-L191 WeakPolarHBondContact CD-O 3.2Å; K36-L191 WeakPolarHBondContact CE-O 3.45Å; K36-L191 PolarHBondContact NZ-O 3.1Å
37Q97.1Very high96.8Very high44 Ų4438.6 Ų38.621%0.20619%0.19CC..Hα-helixtrans-65.4-39.4176.1-66.8177.934.600111.8E33 Y34 F35 S40 G41 L68E33-Q37 WeakPolarHBondContact O-CG 3.39Å; E33-Q37 PolarHBondContact O-N 3.46Å; E33-Q37 PolarHBondContact OE1-NE2 3.43Å; Y34-Q37 PolarHBondContact O-N 3.1Å; F35-Q37 VanDerWaalsContact C-N 3.35Å; F35-Q37 PolarHBondContact O-N 3.33Å; Q37-S40 WeakPolarHBondContact O-CB 3.4Å; Q37-S40 PolarHBondContact O-N 3.05Å; Q37-G41 PolarHBondContact O-N 3.04Å; Q37-L68 HydrophobicContact CB-CB 4.1Å
38L98.3Very high96.9Very high0 Ų041.7 Ų41.70%020%0.195CC..Hα-helixtrans-58.7-48.2173.1175.261.9000111.2Y34 F35 S40 G41 V42 L55 L60 L68 I70 V122Y34-L38 WeakPolarHBondContact O-CB 3.42Å; Y34-L38 PolarHBondContact O-N 3.25Å; F35-L38 HydrophobicContact CD2-CD2 4.02Å; F35-L38 HydrophobicContact CE2-CD2 4.17Å; F35-L38 WeakPolarHBondContact O-CB 3.43Å; F35-L38 PolarHBondContact O-N 3.4Å; L38-S40 VanDerWaalsContact C-N 3.27Å; L38-S40 PolarHBondContact O-N 3.46Å; L38-G41 PolarHBondContact O-N 3.29Å; L38-G41 VanDerWaalsContact O-N 3.1Å; L38-V42 HydrophobicContact CD1-CG2 3.83Å; L38-V42 HydrophobicContact CG-CG2 4.23Å; L38-V42 WeakPolarHBondContact O-CG2 3.38Å; L38-V42 PolarHBondContact O-N 2.97Å; L38-L55 HydrophobicContact CD1-CD1 4Å; L38-L55 HydrophobicContact CD1-CD2 4.17Å; L38-L55 HydrophobicContact CD2-CD2 4.39Å; L38-L60 HydrophobicContact CD1-CD2 3.94Å; L38-L60 HydrophobicContact CD2-CD1 4.49Å; L38-L68 HydrophobicContact CB-CD2 4.25Å; L38-I70 HydrophobicContact CD1-CD1 3.89Å; L38-I70 HydrophobicContact CD1-CG1 3.94Å; L38-V122 HydrophobicContact CD2-CB 4.46Å; L38-V122 HydrophobicContact CD2-CG1 3.84Å
39M97.8Very high97Very high3 Ų342.3 Ų42.32%0.01520%0.199CC..Hα-helixtrans-59.8-37.7177.5-67.5-5992.200112.4F35 K36 V42 Q43 C119 L182 V185 L191F35-M39 HydrophobicContact CD1-CG 4.09Å; F35-M39 HydrophobicContact CD2-CE 4.4Å; F35-M39 HydrophobicContact CE1-CE 4.37Å; F35-M39 HydrophobicContact CE1-CG 3.75Å; F35-M39 HydrophobicContact CE1-SD 3.99Å; F35-M39 HydrophobicContact CE2-CE 3.66Å; F35-M39 HydrophobicContact CE2-SD 4.33Å; F35-M39 HydrophobicContact CZ-CE 3.66Å; F35-M39 HydrophobicContact CZ-CG 4.01Å; F35-M39 HydrophobicContact CZ-SD 3.71Å; F35-M39 WeakPolarHBondContact O-CG 3.46Å; F35-M39 PolarHBondContact O-N 3.35Å; K36-M39 PolarHBondContact O-N 2.94Å; M39-V42 HydrophobicContact CE-CG2 4.46Å; M39-Q43 VanDerWaalsContact O-CB 3.26Å; M39-Q43 WeakPolarHBondContact O-CB 3.41Å; M39-Q43 PolarHBondContact O-N 3.1Å; M39-C119 HydrophobicContact CE-CB 3.54Å; M39-L182 HydrophobicContact CE-CD1 4.47Å; M39-L182 HydrophobicContact SD-CD1 3.61Å; M39-V185 HydrophobicContact CG-CG1 4.01Å; M39-V185 HydrophobicContact SD-CB 4.29Å; M39-V185 HydrophobicContact SD-CG1 3.5Å; M39-V185 WeakPolarHBondContact SD-CG1 3.34Å; M39-L191 HydrophobicContact CG-CD1 4.13Å
40S96.6Very high97.2Very high65 Ų6541.8 Ų41.846%0.45520%0.196SC..Hα-helixtrans-62-46.8173.1-168.70000112K36 Q37 L38 Q43 Y44K36-S40 PolarHBondContact O-N 3.28Å; K36-S40 VanDerWaalsContact O-N 3.1Å; Q37-S40 WeakPolarHBondContact O-CB 3.4Å; Q37-S40 PolarHBondContact O-N 3.05Å; L38-S40 VanDerWaalsContact C-N 3.27Å; L38-S40 PolarHBondContact O-N 3.46Å; S40-Q43 PolarHBondContact O-N 3.01Å; S40-Y44 PolarHBondContact O-N 3.45Å
41G97.7Very high97.4Very high23 Ų2340.1 Ų40.124%0.23719%0.186CC..Hα-helixtrans-64.7-44.9177.900000113.2Q37 L38 Q43 Y44 L45Q37-G41 PolarHBondContact O-N 3.04Å; L38-G41 PolarHBondContact O-N 3.29Å; L38-G41 VanDerWaalsContact O-N 3.1Å; G41-Q43 VanDerWaalsContact C-N 3.33Å; G41-Q43 PolarHBondContact O-N 2.86Å; G41-Y44 WeakPolarHBondContact O-CB 3.44Å; G41-Y44 PolarHBondContact O-N 2.96Å; G41-L45 WeakPolarHBondContact O-CG 3.36Å; G41-L45 PolarHBondContact O-N 2.74Å; G41-L45 VanDerWaalsContact O-N 3.12Å
42V98.2Very high97.4Very high0 Ų040.2 Ų40.20%019%0.186CC..Hα-helixtrans-63.2-40.4176.6174.90000110.6L38 M39 Y44 L45 H46 I52 I70 L182L38-V42 HydrophobicContact CD1-CG2 3.83Å; L38-V42 HydrophobicContact CG-CG2 4.23Å; L38-V42 WeakPolarHBondContact O-CG2 3.38Å; L38-V42 PolarHBondContact O-N 2.97Å; M39-V42 HydrophobicContact CE-CG2 4.46Å; V42-Y44 VanDerWaalsContact C-N 3.33Å; V42-Y44 PolarHBondContact O-N 2.78Å; V42-L45 PolarHBondContact O-N 3.12Å; V42-H46 WeakPolarHBondContact CG1-NE2 3.41Å; V42-H46 WeakPolarHBondContact O-CB 3.35Å; V42-H46 PolarHBondContact O-CD2 2.83Å; V42-H46 PolarHBondContact O-N 2.87Å; V42-I52 HydrophobicContact CG2-CD1 4.29Å; V42-I70 HydrophobicContact CG2-CD1 4.08Å; V42-L182 HydrophobicContact CG1-CD1 4.11Å; V42-L182 HydrophobicContact CG1-CD2 3.91Å
43Q97.2Very high97.4Very high12 Ų1241.1 Ų41.16%0.05619%0.189CC..Hα-helixtrans-62.9-41.1176-171.9-174.455.600111.8M39 S40 G41 L45 H46 R47 L182 E183M39-Q43 VanDerWaalsContact O-CB 3.26Å; M39-Q43 WeakPolarHBondContact O-CB 3.41Å; M39-Q43 PolarHBondContact O-N 3.1Å; S40-Q43 PolarHBondContact O-N 3.01Å; G41-Q43 VanDerWaalsContact C-N 3.33Å; G41-Q43 PolarHBondContact O-N 2.86Å; Q43-L45 VanDerWaalsContact C-N 3.28Å; Q43-L45 PolarHBondContact O-N 2.87Å; Q43-H46 PolarHBondContact O-N 3.27Å; Q43-R47 WeakPolarHBondContact O-CB 3.26Å; Q43-R47 VanDerWaalsContact O-CG 3.28Å; Q43-R47 WeakPolarHBondContact O-CG 3.32Å; Q43-R47 PolarHBondContact O-N 2.98Å; Q43-L182 VanDerWaalsContact CA-CD2 3.45Å; Q43-L182 HydrophobicContact CB-CD2 3.79Å; Q43-L182 HydrophobicContact CG-CD2 4.27Å; Q43-E183 PolarHBondContact NE2-OE2 3.15Å
44Y97.8Very high97.4Very high130 Ų13038.5 Ų38.551%0.5118%0.177SC..Hα-helixtrans-58.1-41.6175.1171.9-88000112.2S40 G41 V42 R48S40-Y44 PolarHBondContact O-N 3.45Å; G41-Y44 WeakPolarHBondContact O-CB 3.44Å; G41-Y44 PolarHBondContact O-N 2.96Å; V42-Y44 VanDerWaalsContact C-N 3.33Å; V42-Y44 PolarHBondContact O-N 2.78Å; Y44-R48 VanDerWaalsContact CE2-NH2 3.28Å; Y44-R48 PolarHBondContact O-NH1 3.32Å; Y44-R48 VanDerWaalsContact O-NH1 3.08Å; Y44-R48 PolarHBondContact OH-NE 3.14Å
45L98.2Very high97.4Very high15 Ų1538 Ų388%0.07918%0.175CC..Hα-helixtrans-71.4-47.3178.3-65.8168.9000111.8G41 V42 Q43 R47 R48 S49 I50 I52 I70 F73G41-L45 WeakPolarHBondContact O-CG 3.36Å; G41-L45 PolarHBondContact O-N 2.74Å; G41-L45 VanDerWaalsContact O-N 3.12Å; V42-L45 PolarHBondContact O-N 3.12Å; Q43-L45 VanDerWaalsContact C-N 3.28Å; Q43-L45 PolarHBondContact O-N 2.87Å; L45-R47 VanDerWaalsContact C-N 3.28Å; L45-R47 PolarHBondContact O-N 3.38Å; L45-R48 CarbonylContact O-C 3.43Å; L45-R48 WeakPolarHBondContact O-CA 3.17Å; L45-R48 WeakPolarHBondContact O-CB 3.09Å; L45-R48 PolarHBondContact O-N 3.36Å; L45-S49 PolarHBondContact O-N 2.95Å; L45-I50 CarbonylContact C-O 3.5Å; L45-I50 HydrophobicContact CB-CB 4.29Å; L45-I50 HydrophobicContact CB-CG2 4.48Å; L45-I50 HydrophobicContact CD2-CB 4.44Å; L45-I50 HydrophobicContact CD2-CG2 4.17Å; L45-I50 PolarHBondContact O-N 2.89Å; L45-I52 HydrophobicContact CD1-CD1 3.85Å; L45-I52 HydrophobicContact CD1-CG1 3.69Å; L45-I70 HydrophobicContact CD1-CD1 4.11Å; L45-F73 HydrophobicContact CD1-CE1 3.72Å; L45-F73 HydrophobicContact CD1-CZ 4.22Å; L45-F73 HydrophobicContact CD2-CE1 3.75Å; L45-F73 HydrophobicContact CD2-CZ 4.34Å; L45-F73 HydrophobicContact CG-CE1 4.4Å
46H97.3Very high97.3Very high9 Ų938.4 Ų38.44%0.04218%0.177CC..Hα-helixtrans-61.6-36.2179.7-78.6-150.1000112.3V42 Q43 R48 S49 I50 F79 E112 L182V42-H46 WeakPolarHBondContact CG1-NE2 3.41Å; V42-H46 WeakPolarHBondContact O-CB 3.35Å; V42-H46 PolarHBondContact O-CD2 2.83Å; V42-H46 PolarHBondContact O-N 2.87Å; Q43-H46 PolarHBondContact O-N 3.27Å; H46-R48 PolarHBondContact O-N 3.09Å; H46-S49 WeakPolarHBondContact O-CA 3.37Å; H46-S49 PolarHBondContact O-N 3.13Å; H46-I50 PolarHBondContact CD2-O 3.32Å; H46-F79 HydrophobicContact CB-CE1 4.44Å; H46-F79 HydrophobicContact CB-CZ 4.33Å; H46-F79 WeakPolarHBondContact O-CZ 3.37Å; H46-E112 IonicContact ND1-OE1 2.84Å; H46-L182 HydrophobicContact CB-CD2 4.25Å
47R96.3Very high97.4Very high175 Ų17534.6 Ų34.666%0.6616%0.161SC*.THydrogen-bonded Turntrans-62.8-20.3173-75.3176.7-179-1731.2113.6Q43 L45Q43-R47 WeakPolarHBondContact O-CB 3.26Å; Q43-R47 VanDerWaalsContact O-CG 3.28Å; Q43-R47 WeakPolarHBondContact O-CG 3.32Å; Q43-R47 PolarHBondContact O-N 2.98Å; L45-R47 VanDerWaalsContact C-N 3.28Å; L45-R47 PolarHBondContact O-N 3.38Å
48R97.2Very high97.4Very high120 Ų12036.9 Ų36.945%0.45317%0.17SC..THydrogen-bonded Turntrans-100.814.4174.1-72.4166.4177.868.45.3112.4Y44 L45 H46 I50Y44-R48 VanDerWaalsContact CE2-NH2 3.28Å; Y44-R48 PolarHBondContact O-NH1 3.32Å; Y44-R48 VanDerWaalsContact O-NH1 3.08Å; Y44-R48 PolarHBondContact OH-NE 3.14Å; L45-R48 CarbonylContact O-C 3.43Å; L45-R48 WeakPolarHBondContact O-CA 3.17Å; L45-R48 WeakPolarHBondContact O-CB 3.09Å; L45-R48 PolarHBondContact O-N 3.36Å; H46-R48 PolarHBondContact O-N 3.09Å; R48-I50 HydrophobicContact CB-CD1 4.15Å; R48-I50 HydrophobicContact CB-CG1 4.4Å; R48-I50 PolarHBondContact O-N 3.21Å
49S97.5Very high97.4Very high23 Ų2337.7 Ų37.716%0.16117%0.174CC..THydrogen-bonded Turntrans60.727.2-177.4-520000113.4L45 H46 Y78 F79L45-S49 PolarHBondContact O-N 2.95Å; H46-S49 WeakPolarHBondContact O-CA 3.37Å; H46-S49 PolarHBondContact O-N 3.13Å; S49-Y78 CarbonylContact O-C 3.37Å; S49-Y78 WeakPolarHBondContact O-CA 3.26Å; S49-F79 WeakPolarHBondContact O-CD1 3.5Å; S49-F79 WeakPolarHBondContact O-CE1 3.46Å; S49-F79 PolarHBondContact O-N 3.37Å
50I98.1Very high97.5Very high33 Ų3337.6 Ų37.617%0.16917%0.173CC..EExtended strand (participates in β ladder)trans-105.8131.6179.8-63.9166.7000110.4L45 H46 R48 A76 C77 Y78L45-I50 CarbonylContact C-O 3.5Å; L45-I50 HydrophobicContact CB-CB 4.29Å; L45-I50 HydrophobicContact CB-CG2 4.48Å; L45-I50 HydrophobicContact CD2-CB 4.44Å; L45-I50 HydrophobicContact CD2-CG2 4.17Å; L45-I50 PolarHBondContact O-N 2.89Å; H46-I50 PolarHBondContact CD2-O 3.32Å; R48-I50 HydrophobicContact CB-CD1 4.15Å; R48-I50 HydrophobicContact CB-CG1 4.4Å; R48-I50 PolarHBondContact O-N 3.21Å; I50-A76 HydrophobicContact CG2-CB 4.26Å; I50-C77 WeakPolarHBondContact CA-O 3.49Å; I50-Y78 HydrophobicContact CD1-CE1 4.02Å; I50-Y78 HydrophobicContact CG1-CD1 3.86Å; I50-Y78 HydrophobicContact CG1-CE1 3.64Å
51T97.8Very high97.6Very high1 Ų136.6 Ų36.61%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-110.8154.8160.852.70000110.4A76 C77 F79 A111 E115T51-A76 CarbonylContact O-C 3.6Å; T51-A76 WeakPolarHBondContact O-CA 3.36Å; T51-A76 VanDerWaalsContact O-CB 3.27Å; T51-A76 WeakPolarHBondContact O-CB 3.38Å; T51-C77 PolarHBondContact N-O 2.98Å; T51-C77 PolarHBondContact O-N 3.33Å; T51-C77 PolarHBondContact OG1-SG 3.29Å; T51-C77 VanDerWaalsContact OG1-SG 3.39Å; T51-F79 HydrophobicContact CG2-CD1 3.6Å; T51-F79 HydrophobicContact CG2-CE1 4.04Å; T51-F79 HydrophobicContact CG2-CG 4.35Å; T51-A111 HydrophobicContact CG2-CB 3.53Å; T51-E115 WeakPolarHBondContact CB-OE2 3.48Å; T51-E115 HydrophobicContact CG2-CB 4.24Å
52I97.6Very high97.6Very high2 Ų235.7 Ų35.71%0.0115%0.153CC..  trans-87.2-39.1-175.2-54.2157.9000110.7V42 L45 N54 L55 I70 F73 E75 A76 E115V42-I52 HydrophobicContact CG2-CD1 4.29Å; L45-I52 HydrophobicContact CD1-CD1 3.85Å; L45-I52 HydrophobicContact CD1-CG1 3.69Å; I52-N54 PolarHBondContact O-N 3.1Å; I52-L55 HydrophobicContact CB-CB 4.43Å; I52-L55 HydrophobicContact CD1-CB 4.33Å; I52-L55 HydrophobicContact CD1-CD1 4.1Å; I52-L55 HydrophobicContact CD1-CD2 4.39Å; I52-L55 HydrophobicContact CG2-CB 4.26Å; I52-I70 HydrophobicContact CD1-CD1 4.15Å; I52-I70 HydrophobicContact CD1-CG2 3.66Å; I52-I70 HydrophobicContact CG1-CG2 4.24Å; I52-F73 HydrophobicContact CG1-CE1 4.39Å; I52-E75 CarbonylContact O-C 3.55Å; I52-A76 PolarHBondContact O-N 3.04Å; I52-E115 WeakPolarHBondContact CA-OE2 3.39Å; I52-E115 WeakPolarHBondContact CB-OE2 3.49Å; I52-E115 PolarHBondContact N-OE2 3.25Å
53R96.1Very high97.5Very high33 Ų3336.6 Ų36.613%0.12516%0.159CC..SBendtrans60.5-8.2179.8-59.2-170.660177.12117.4E75 C77 Q90 G91 K93 A94 Y109 E115R53-E75 HydrophobicContact CB-CB 4.18Å; R53-E75 WeakPolarHBondContact CB-O 3.19Å; R53-E75 WeakPolarHBondContact CD-O 3.27Å; R53-C77 WeakPolarHBondContact CD-SG 3.35Å; R53-Q90 PolarHBondContact NH2-O 3.28Å; R53-G91 PolarHBondContact NH2-O 3.45Å; R53-K93 HydrophobicContact CB-CB 4.11Å; R53-K93 VanDerWaalsContact NH2-CG 3.26Å; R53-K93 CarbonylContact O-C 3.6Å; R53-K93 WeakPolarHBondContact O-CB 3.04Å; R53-A94 PolarHBondContact O-N 3.03Å; R53-Y109 VanDerWaalsContact CZ-OH 3.32Å; R53-Y109 PolarHBondContact NE-OH 3.23Å; R53-Y109 PolarHBondContact NH2-OH 3.3Å; R53-E115 PolarHBondContact N-OE2 3.41Å
54N95.6Very high97.4Very high20 Ų2046 Ų4611%0.10719%0.194CC..  trans-137.139.7176.4-168.311.7000111.1I52 Q56 H59 E75I52-N54 PolarHBondContact O-N 3.1Å; N54-Q56 PolarHBondContact O-N 3.39Å; N54-Q56 PolarHBondContact OD1-NE2 3.15Å; N54-H59 PolarHBondContact ND2-CE1 2.72Å; N54-H59 PolarHBondContact O-ND1 2.91Å; N54-E75 HydrophobicContact CB-CB 3.92Å; N54-E75 HydrophobicContact CB-CG 3.98Å
55L97.6Very high97.2Very high1 Ų146.1 Ų46.11%0.00520%0.203CC..  trans-71.9121.5176.817865.9000110.2L38 I52 L60 E115 T118 C119 V122L38-L55 HydrophobicContact CD1-CD1 4Å; L38-L55 HydrophobicContact CD1-CD2 4.17Å; L38-L55 HydrophobicContact CD2-CD2 4.39Å; I52-L55 HydrophobicContact CB-CB 4.43Å; I52-L55 HydrophobicContact CD1-CB 4.33Å; I52-L55 HydrophobicContact CD1-CD1 4.1Å; I52-L55 HydrophobicContact CD1-CD2 4.39Å; I52-L55 HydrophobicContact CG2-CB 4.26Å; L55-L60 HydrophobicContact CD1-CD2 3.77Å; L55-L60 HydrophobicContact CD1-CG 4.32Å; L55-E115 WeakPolarHBondContact CB-OE1 3.27Å; L55-T118 HydrophobicContact CB-CG2 3.88Å; L55-T118 HydrophobicContact CD2-CG2 4.35Å; L55-T118 HydrophobicContact CG-CG2 4.31Å; L55-T118 VanDerWaalsContact O-CG2 3.27Å; L55-T118 WeakPolarHBondContact O-CG2 3.34Å; L55-C119 HydrophobicContact CD2-CB 4.48Å; L55-C119 WeakPolarHBondContact CD2-SG 3.31Å; L55-V122 HydrophobicContact CG-CG2 4.32Å
56Q97.2Very high97.1Very high9 Ų949.7 Ų49.74%0.04222%0.222CC..  trans-155.8163.1179.450.4179.1-54.400110.4N54 K58 H59 Y98N54-Q56 PolarHBondContact O-N 3.39Å; N54-Q56 PolarHBondContact OD1-NE2 3.15Å; Q56-K58 VanDerWaalsContact C-N 3.26Å; Q56-K58 HydrophobicContact CG-CG 3.95Å; Q56-K58 PolarHBondContact O-N 3.32Å; Q56-K58 VanDerWaalsContact O-N 3.16Å; Q56-K58 VanDerWaalsContact OE1-NZ 3.11Å; Q56-H59 HydrophobicContact CG-CB 4.31Å; Q56-H59 VanDerWaalsContact CG-ND1 3.29Å; Q56-H59 WeakPolarHBondContact CG-ND1 3.32Å; Q56-H59 PolarHBondContact NE2-CE1 3.44Å; Q56-H59 PolarHBondContact O-N 3.22Å; Q56-Y98 HydrophobicContact CB-CD1 4.17Å; Q56-Y98 HydrophobicContact CB-CD2 4.19Å; Q56-Y98 HydrophobicContact CB-CE1 3.79Å; Q56-Y98 HydrophobicContact CB-CE2 3.82Å; Q56-Y98 HydrophobicContact CB-CG 4.34Å
57L98.5Very high97.1Very high8 Ų852.4 Ų52.44%0.04224%0.239CC..G310 helixtrans-56.7-35.8-172.2-65.7175.8000113.8V18 E19 V22 H59 L60 Y98 V122 A125 M126V18-L57 HydrophobicContact CG1-CD2 3.95Å; E19-L57 HydrophobicContact CB-CB 3.72Å; E19-L57 HydrophobicContact CG-CB 4.4Å; E19-L57 PolarHBondContact N-O 3.22Å; V22-L57 HydrophobicContact CB-CD1 4.48Å; V22-L57 HydrophobicContact CG2-CD1 4.17Å; V22-L57 HydrophobicContact CG2-CD2 4.45Å; L57-H59 VanDerWaalsContact C-N 3.25Å; L57-H59 PolarHBondContact O-N 3.22Å; L57-L60 PolarHBondContact O-N 2.88Å; L57-Y98 PolarHBondContact N-OH 3Å; L57-V122 HydrophobicContact CD2-CG1 3.99Å; L57-A125 HydrophobicContact CD1-CB 3.88Å; L57-M126 HydrophobicContact CD2-CG 3.72Å
58K98Very high97.2Very high93 Ų9344.8 Ų44.840%0.40421%0.212SC..G310 helixtrans-71.5-17.417875-174.7-169.6-151.40114E19 Q56E19-K58 HydrophobicContact CB-CB 4.38Å; E19-K58 WeakPolarHBondContact OE2-CB 3.45Å; Q56-K58 VanDerWaalsContact C-N 3.26Å; Q56-K58 HydrophobicContact CG-CG 3.95Å; Q56-K58 PolarHBondContact O-N 3.32Å; Q56-K58 VanDerWaalsContact O-N 3.16Å; Q56-K58 VanDerWaalsContact OE1-NZ 3.11Å
59H98.1Very high97.2Very high17 Ų1742.3 Ų42.38%0.07920%0.204CC..G310 helixtrans-95.44.4175.5-60.1160.6000112.8N54 Q56 L57 T71 N72N54-H59 PolarHBondContact ND2-CE1 2.72Å; N54-H59 PolarHBondContact O-ND1 2.91Å; Q56-H59 HydrophobicContact CG-CB 4.31Å; Q56-H59 VanDerWaalsContact CG-ND1 3.29Å; Q56-H59 WeakPolarHBondContact CG-ND1 3.32Å; Q56-H59 PolarHBondContact NE2-CE1 3.44Å; Q56-H59 PolarHBondContact O-N 3.22Å; L57-H59 VanDerWaalsContact C-N 3.25Å; L57-H59 PolarHBondContact O-N 3.22Å; H59-T71 PolarHBondContact O-N 2.99Å; H59-T71 PolarHBondContact O-OG1 2.92Å; H59-N72 HydrophobicContact CB-CB 4.29Å; H59-N72 PolarHBondContact CE1-ND2 2.82Å; H59-N72 PolarHBondContact NE2-ND2 3.42Å
60L98.6Very high97.3Very high0 Ų042.4 Ų42.40%020%0.202CC..EExtended strand (participates in β ladder)trans-103.1110170.8-59.9175.7000108T17 V18 L38 L55 L57 L68 I70 V122T17-L60 CarbonylContact C-O 3.33Å; T17-L60 WeakPolarHBondContact CA-O 3.39Å; V18-L60 HydrophobicContact CB-CB 3.9Å; V18-L60 HydrophobicContact CG2-CB 3.52Å; V18-L60 PolarHBondContact N-O 3.23Å; L38-L60 HydrophobicContact CD1-CD2 3.94Å; L38-L60 HydrophobicContact CD2-CD1 4.49Å; L55-L60 HydrophobicContact CD1-CD2 3.77Å; L55-L60 HydrophobicContact CD1-CG 4.32Å; L57-L60 PolarHBondContact O-N 2.88Å; L60-L68 HydrophobicContact CB-CD1 4.18Å; L60-L68 HydrophobicContact CB-CG 4.46Å; L60-L68 HydrophobicContact CD1-CD1 4.27Å; L60-L68 HydrophobicContact CD2-CD1 4.37Å; L60-L68 HydrophobicContact CD2-CD2 4.1Å; L60-L68 HydrophobicContact CD2-CG 4.45Å; L60-I70 HydrophobicContact CD2-CG1 4.13Å; L60-V122 HydrophobicContact CD1-CG1 3.76Å
61L98.4Very high97.3Very high44 Ų4442.5 Ų42.523%0.2321%0.205CC..EExtended strand (participates in β ladder)trans-103.2153.5179.9-65.1-167.6000110.9L13 G16 T17 L68 K69 T71L13-L61 HydrophobicContact CB-CB 3.93Å; L13-L61 HydrophobicContact CB-CD1 4.23Å; L13-L61 HydrophobicContact CD1-CB 3.41Å; L13-L61 VanDerWaalsContact CD1-CB 3.41Å; L13-L61 HydrophobicContact CD1-CD1 4.03Å; L13-L61 HydrophobicContact CD1-CG 4.31Å; L13-L61 HydrophobicContact CG-CB 4.32Å; G16-L61 CarbonylContact O-C 3.6Å; G16-L61 WeakPolarHBondContact O-CA 3.37Å; T17-L61 HydrophobicContact CG2-CD2 3.51Å; L61-L68 CarbonylContact O-C 3.56Å; L61-L68 WeakPolarHBondContact O-CA 3.42Å; L61-K69 PolarHBondContact N-O 2.87Å; L61-K69 PolarHBondContact O-N 3.46Å; L61-T71 HydrophobicContact CB-CG2 4.14Å; L61-T71 HydrophobicContact CD1-CG2 3.84Å; L61-T71 HydrophobicContact CG-CG2 3.83Å
62L98.4Very high97.1Very high5 Ų545.2 Ų45.23%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-112.9133.4-179.9-61.8171.5000109.9L13 G15 G16 V18 A21 Y34 L68L13-L62 CarbonylContact C-O 3.38Å; L13-L62 WeakPolarHBondContact CB-O 3.5Å; G15-L62 WeakPolarHBondContact CA-O 3.41Å; G15-L62 PolarHBondContact N-O 3.47Å; G16-L62 PolarHBondContact O-N 2.9Å; V18-L62 HydrophobicContact CG2-CD1 4.41Å; V18-L62 HydrophobicContact CG2-CD2 3.98Å; V18-L62 HydrophobicContact CG2-CG 4.1Å; A21-L62 HydrophobicContact CB-CD1 4.5Å; Y34-L62 HydrophobicContact CD1-CD2 4.14Å; Y34-L62 HydrophobicContact CD2-CD2 4.29Å; Y34-L62 HydrophobicContact CE1-CD2 3.6Å; Y34-L62 HydrophobicContact CE2-CD1 3.83Å; Y34-L62 HydrophobicContact CE2-CD2 3.76Å; Y34-L62 HydrophobicContact CE2-CG 4.43Å; Y34-L62 HydrophobicContact CG-CD2 4.47Å; Y34-L62 WeakPolarHBondContact OH-CD1 3.37Å; L62-L68 HydrophobicContact CD2-CB 4.14Å
63S97Very high97Very high18 Ų1849.5 Ų49.513%0.12624%0.238CC..  trans-72.5171.3164.371.40000111N65 N66 V67S63-N65 PolarHBondContact O-N 3.27Å; S63-N65 VanDerWaalsContact O-N 3.12Å; S63-N65 PolarHBondContact OG-N 3.27Å; S63-N66 PolarHBondContact O-N 3.01Å; S63-V67 PolarHBondContact N-O 3.47Å; S63-V67 VanDerWaalsContact OG-CB 3.29Å; S63-V67 WeakPolarHBondContact OG-CB 3.36Å; S63-V67 PolarHBondContact OG-N 3.31Å; S63-V67 VanDerWaalsContact OG-N 3.09Å; S63-V67 PolarHBondContact OG-O 3.14Å
64R94Very high96.9Very high211 Ų21152.8 Ų52.880%0.79626%0.262SS*.THydrogen-bonded Turntrans-54.4-29.9173.2-171.7178.1-179-164.40.3113.5N66R64-N66 VanDerWaalsContact C-N 3.33Å
65N94.8Very high97Very high131 Ų13154.6 Ų54.670%0.70127%0.27SS*.THydrogen-bonded Turntrans-96.822.2-177.5-61.8-20.1000112.2S63 V67S63-N65 PolarHBondContact O-N 3.27Å; S63-N65 VanDerWaalsContact O-N 3.12Å; S63-N65 PolarHBondContact OG-N 3.27Å; N65-V67 PolarHBondContact O-N 3.28Å
66N94.4Very high97Very high91 Ų9156.1 Ų56.149%0.48728%0.282SS..  trans56.731.5-178.5-61.5-36.6000113.9Y34 S63 R64Y34-N66 HydrophobicContact CE1-CB 4.16Å; Y34-N66 WeakPolarHBondContact CE1-O 3.13Å; S63-N66 PolarHBondContact O-N 3.01Å; R64-N66 VanDerWaalsContact C-N 3.33Å
67V97.8Very high96.9Very high66 Ų6657 Ų5740%0.429%0.289SS..  trans-85.9118.4167.5-176.70000108.6S63 N65S63-V67 PolarHBondContact N-O 3.47Å; S63-V67 VanDerWaalsContact OG-CB 3.29Å; S63-V67 WeakPolarHBondContact OG-CB 3.36Å; S63-V67 PolarHBondContact OG-N 3.31Å; S63-V67 VanDerWaalsContact OG-N 3.09Å; S63-V67 PolarHBondContact OG-O 3.14Å; N65-V67 PolarHBondContact O-N 3.28Å
68L98.5Very high96.9Very high14 Ų1463.6 Ų63.67%0.07331%0.314CS..EExtended strand (participates in β ladder)trans-72135.8174.7177.9149.4000110.6V18 Y34 Q37 L38 L60 L61 L62 I70V18-L68 HydrophobicContact CG2-CD1 3.9Å; Y34-L68 HydrophobicContact CD1-CB 4.48Å; Y34-L68 HydrophobicContact CG-CD1 4.29Å; Q37-L68 HydrophobicContact CB-CB 4.1Å; L38-L68 HydrophobicContact CB-CD2 4.25Å; L60-L68 HydrophobicContact CB-CD1 4.18Å; L60-L68 HydrophobicContact CB-CG 4.46Å; L60-L68 HydrophobicContact CD1-CD1 4.27Å; L60-L68 HydrophobicContact CD2-CD1 4.37Å; L60-L68 HydrophobicContact CD2-CD2 4.1Å; L60-L68 HydrophobicContact CD2-CG 4.45Å; L61-L68 CarbonylContact O-C 3.56Å; L61-L68 WeakPolarHBondContact O-CA 3.42Å; L62-L68 HydrophobicContact CD2-CB 4.14Å; L68-I70 HydrophobicContact CD2-CG1 4.44Å
69K98.3Very high96.9Very high69 Ų6959.1 Ų59.130%0.330%0.295SS..EExtended strand (participates in β ladder)trans-128.3135171.3-52.3-146.2-179.6-158.70110.7E11 L13 L61E11-K69 WeakPolarHBondContact OE1-CE 3.43Å; E11-K69 IonicContact OE1-NZ 2.85Å; E11-K69 PolarHBondContact OE1-NZ 2.8Å; E11-K69 WeakPolarHBondContact OE2-CD 3.43Å; E11-K69 WeakPolarHBondContact OE2-CE 3.42Å; E11-K69 IonicContact OE2-NZ 2.64Å; E11-K69 PolarHBondContact OE2-NZ 3.25Å; L13-K69 HydrophobicContact CD1-CB 3.61Å; L13-K69 HydrophobicContact CD1-CD 3.97Å; L13-K69 HydrophobicContact CD1-CG 3.8Å; L13-K69 HydrophobicContact CD2-CD 3.8Å; L13-K69 HydrophobicContact CD2-CG 3.98Å; L13-K69 HydrophobicContact CG-CD 4.5Å; L61-K69 PolarHBondContact N-O 2.87Å; L61-K69 PolarHBondContact O-N 3.46Å
70I98.4Very high96.9Very high24 Ų2462.4 Ų62.412%0.12331%0.307CS..EExtended strand (participates in β ladder)trans-76.9131.1171.8-56169.5000107.7L38 V42 L45 I52 L60 L68 F73L38-I70 HydrophobicContact CD1-CD1 3.89Å; L38-I70 HydrophobicContact CD1-CG1 3.94Å; V42-I70 HydrophobicContact CG2-CD1 4.08Å; L45-I70 HydrophobicContact CD1-CD1 4.11Å; I52-I70 HydrophobicContact CD1-CD1 4.15Å; I52-I70 HydrophobicContact CD1-CG2 3.66Å; I52-I70 HydrophobicContact CG1-CG2 4.24Å; L60-I70 HydrophobicContact CD2-CG1 4.13Å; L68-I70 HydrophobicContact CD2-CG1 4.44Å; I70-F73 HydrophobicContact CB-CZ 4.25Å; I70-F73 HydrophobicContact CG2-CE1 4.35Å; I70-F73 HydrophobicContact CG2-CE2 4.38Å; I70-F73 HydrophobicContact CG2-CZ 3.82Å; I70-F73 WeakPolarHBondContact O-CE2 3.35Å
71T97.5Very high96.7Very high35 Ų3565.1 Ų65.122%0.21532%0.321CS..  trans-130.3176.818067.30000111.1L13 H59 L61L13-T71 HydrophobicContact CD1-CG2 4.38Å; H59-T71 PolarHBondContact O-N 2.99Å; H59-T71 PolarHBondContact O-OG1 2.92Å; L61-T71 HydrophobicContact CB-CG2 4.14Å; L61-T71 HydrophobicContact CD1-CG2 3.84Å; L61-T71 HydrophobicContact CG-CG2 3.83Å
72N94.7Very high96.6Very high59 Ų5970.2 Ų70.232%0.31635%0.354SS..  trans5971.3177.2-161.717.9000115.1H59 T74H59-N72 HydrophobicContact CB-CB 4.29Å; H59-N72 PolarHBondContact CE1-ND2 2.82Å; H59-N72 PolarHBondContact NE2-ND2 3.42Å; N72-T74 PolarHBondContact O-N 3.49Å; N72-T74 VanDerWaalsContact OD1-CG2 3.26Å; N72-T74 WeakPolarHBondContact OD1-CG2 3.47Å; N72-T74 PolarHBondContact OD1-OG1 3.09Å
73F95.6Very high96.4Very high92 Ų9278.1 Ų78.140%0.40439%0.389SS..  trans-85.522.5-180-67.9-94.1000113.9L45 I52 I70 E75 A76L45-F73 HydrophobicContact CD1-CE1 3.72Å; L45-F73 HydrophobicContact CD1-CZ 4.22Å; L45-F73 HydrophobicContact CD2-CE1 3.75Å; L45-F73 HydrophobicContact CD2-CZ 4.34Å; L45-F73 HydrophobicContact CG-CE1 4.4Å; I52-F73 HydrophobicContact CG1-CE1 4.39Å; I70-F73 HydrophobicContact CB-CZ 4.25Å; I70-F73 HydrophobicContact CG2-CE1 4.35Å; I70-F73 HydrophobicContact CG2-CE2 4.38Å; I70-F73 HydrophobicContact CG2-CZ 3.82Å; I70-F73 WeakPolarHBondContact O-CE2 3.35Å; F73-E75 VanDerWaalsContact C-N 3.25Å; F73-E75 PolarHBondContact O-N 3.31Å; F73-A76 HydrophobicContact CB-CB 3.91Å; F73-A76 HydrophobicContact CD1-CB 3.91Å; F73-A76 HydrophobicContact CG-CB 4.43Å; F73-A76 VanDerWaalsContact O-CB 3.29Å; F73-A76 WeakPolarHBondContact O-CB 3.39Å; F73-A76 PolarHBondContact O-N 2.85Å; F73-A76 VanDerWaalsContact O-N 3.12Å
74T94.7Very high96.3Very high102 Ų10279.6 Ų79.663%0.62641%0.407SS*.THydrogen-bonded Turntrans-65.3-28.7-174.655.10000113.5N72N72-T74 PolarHBondContact O-N 3.49Å; N72-T74 VanDerWaalsContact OD1-CG2 3.26Å; N72-T74 WeakPolarHBondContact OD1-CG2 3.47Å; N72-T74 PolarHBondContact OD1-OG1 3.09Å
75E96.3Very high96.4Very high58 Ų5875.6 Ų75.627%0.27140%0.397SS..THydrogen-bonded Turntrans-101.23.4176.9-62.7-60.2150.700112.8I52 R53 N54 F73 K93I52-E75 CarbonylContact O-C 3.55Å; R53-E75 HydrophobicContact CB-CB 4.18Å; R53-E75 WeakPolarHBondContact CB-O 3.19Å; R53-E75 WeakPolarHBondContact CD-O 3.27Å; N54-E75 HydrophobicContact CB-CB 3.92Å; N54-E75 HydrophobicContact CB-CG 3.98Å; F73-E75 VanDerWaalsContact C-N 3.25Å; F73-E75 PolarHBondContact O-N 3.31Å; E75-K93 HydrophobicContact CB-CB 4.21Å; E75-K93 HydrophobicContact CG-CB 4.19Å; E75-K93 WeakPolarHBondContact OE2-CD 3.29Å; E75-K93 VanDerWaalsContact OE2-CE 3.25Å; E75-K93 WeakPolarHBondContact OE2-CE 3.07Å; E75-K93 IonicContact OE2-NZ 3.57Å; E75-K93 PolarHBondContact OE2-NZ 2.92Å
76A97.3Very high96.5Very high33 Ų3372.4 Ų72.427%0.27338%0.378SS..  trans-66.1143.4-177.600000110.8I50 T51 I52 F73I50-A76 HydrophobicContact CG2-CB 4.26Å; T51-A76 CarbonylContact O-C 3.6Å; T51-A76 WeakPolarHBondContact O-CA 3.36Å; T51-A76 VanDerWaalsContact O-CB 3.27Å; T51-A76 WeakPolarHBondContact O-CB 3.38Å; I52-A76 PolarHBondContact O-N 3.04Å; F73-A76 HydrophobicContact CB-CB 3.91Å; F73-A76 HydrophobicContact CD1-CB 3.91Å; F73-A76 HydrophobicContact CG-CB 4.43Å; F73-A76 VanDerWaalsContact O-CB 3.29Å; F73-A76 WeakPolarHBondContact O-CB 3.39Å; F73-A76 PolarHBondContact O-N 2.85Å; F73-A76 VanDerWaalsContact O-N 3.12Å
77C96.7Very high96.7Very high26 Ų2671 Ų7118%0.17637%0.37CS..EExtended strand (participates in β ladder)trans-142.1159.8-179.873.50000112.1I50 T51 R53 Q89I50-C77 WeakPolarHBondContact CA-O 3.49Å; T51-C77 PolarHBondContact N-O 2.98Å; T51-C77 PolarHBondContact O-N 3.33Å; T51-C77 PolarHBondContact OG1-SG 3.29Å; T51-C77 VanDerWaalsContact OG1-SG 3.39Å; R53-C77 WeakPolarHBondContact CD-SG 3.35Å; C77-Q89 VanDerWaalsContact SG-CD 3.52Å
78Y97.8Very high96.7Very high147 Ų14772.1 Ų72.158%0.57637%0.372SS*.EExtended strand (participates in β ladder)trans-77.3132.8165.3-66.6-79.5000110.3S49 I50 Q89S49-Y78 CarbonylContact O-C 3.37Å; S49-Y78 WeakPolarHBondContact O-CA 3.26Å; I50-Y78 HydrophobicContact CD1-CE1 4.02Å; I50-Y78 HydrophobicContact CG1-CD1 3.86Å; I50-Y78 HydrophobicContact CG1-CE1 3.64Å; Y78-Q89 PolarHBondContact O-NE2 3.12Å
79F97.4Very high96.6Very high0 Ų072.5 Ų72.50%037%0.374CS..SBendtrans-107.6-2.2174.770-97000113.3H46 S49 T51 E86 I87 A111 E112H46-F79 HydrophobicContact CB-CE1 4.44Å; H46-F79 HydrophobicContact CB-CZ 4.33Å; H46-F79 WeakPolarHBondContact O-CZ 3.37Å; S49-F79 WeakPolarHBondContact O-CD1 3.5Å; S49-F79 WeakPolarHBondContact O-CE1 3.46Å; S49-F79 PolarHBondContact O-N 3.37Å; T51-F79 HydrophobicContact CG2-CD1 3.6Å; T51-F79 HydrophobicContact CG2-CE1 4.04Å; T51-F79 HydrophobicContact CG2-CG 4.35Å; F79-E86 WeakPolarHBondContact O-CA 3.29Å; F79-I87 PolarHBondContact O-N 2.85Å; F79-A111 HydrophobicContact CB-CB 3.55Å; F79-A111 HydrophobicContact CG-CB 4.25Å; F79-E112 HydrophobicContact CD1-CG 4.16Å; F79-E112 HydrophobicContact CD2-CG 3.64Å; F79-E112 HydrophobicContact CE1-CG 3.76Å; F79-E112 HydrophobicContact CE2-CG 3.27Å; F79-E112 WeakPolarHBondContact CE2-OE2 3.49Å; F79-E112 HydrophobicContact CG-CG 4.09Å; F79-E112 HydrophobicContact CZ-CG 3.31Å; F79-E112 WeakPolarHBondContact CZ-OE1 3.41Å
80R97.7Very high96.4Very high85 Ų8574.4 Ų74.432%0.32138%0.384SS..BIsolated β-bridgetrans-132.2142.5163.2-56.4179.2-174.5129.55.7109.4Q85 E112R80-Q85 CarbonylContact C-O 3.42Å; R80-Q85 WeakPolarHBondContact CA-O 3.5Å; R80-E112 IonicContact CZ-OE2 3.63Å; R80-E112 IonicContact NH2-OE1 3.39Å; R80-E112 PolarHBondContact NH2-OE1 3.28Å; R80-E112 IonicContact NH2-OE2 2.72Å; R80-E112 PolarHBondContact NH2-OE2 3.28Å
81D96Very high96.1Very high57 Ų5774.4 Ų74.431%0.30539%0.39SS..  trans-77.4-177.7175.676.22.2000111.8K83 G84 Q85 I87D81-K83 PolarHBondContact O-N 2.84Å; D81-K83 VanDerWaalsContact OD1-C 3.29Å; D81-K83 VanDerWaalsContact OD1-CA 3.28Å; D81-K83 WeakPolarHBondContact OD1-CA 3.13Å; D81-K83 WeakPolarHBondContact OD1-CB 3.46Å; D81-K83 PolarHBondContact OD1-N 3.25Å; D81-G84 PolarHBondContact O-N 3.38Å; D81-G84 PolarHBondContact OD1-N 2.91Å; D81-Q85 PolarHBondContact N-O 3.36Å; D81-Q85 PolarHBondContact OD1-N 3.35Å; D81-I87 HydrophobicContact CB-CD1 4.1Å; D81-I87 HydrophobicContact CB-CG1 4.25Å
82T94.6Very high95.9Very high151 Ų15177.5 Ų77.593%0.92640%0.402SS*.THydrogen-bonded Turntrans-67.1-14.3179.4560000113.8
83K95.7Very high95.8Very high172 Ų17278.8 Ų78.875%0.74841%0.405SS*.THydrogen-bonded Turntrans-95.81174.2-60-179.6-178.6178.20112.2D81 Q85D81-K83 PolarHBondContact O-N 2.84Å; D81-K83 VanDerWaalsContact OD1-C 3.29Å; D81-K83 VanDerWaalsContact OD1-CA 3.28Å; D81-K83 WeakPolarHBondContact OD1-CA 3.13Å; D81-K83 WeakPolarHBondContact OD1-CB 3.46Å; D81-K83 PolarHBondContact OD1-N 3.25Å; K83-Q85 VanDerWaalsContact C-N 3.29Å; K83-Q85 HydrophobicContact CB-CG 4.33Å
84G94.2Very high95.7Very high49 Ų4975.2 Ų75.251%0.50539%0.392SS..SBendtrans78.38.8-176.600000114.3D81D81-G84 PolarHBondContact O-N 3.38Å; D81-G84 PolarHBondContact OD1-N 2.91Å
85Q96.6Very high95.8Very high126 Ų12672.1 Ų72.159%0.58937%0.374SS*.  trans-75.5139.4176.3-60.5-169.1-4.900110.5R80 D81 K83 I87R80-Q85 CarbonylContact C-O 3.42Å; R80-Q85 WeakPolarHBondContact CA-O 3.5Å; D81-Q85 PolarHBondContact N-O 3.36Å; D81-Q85 PolarHBondContact OD1-N 3.35Å; K83-Q85 VanDerWaalsContact C-N 3.29Å; K83-Q85 HydrophobicContact CB-CG 4.33Å; Q85-I87 PolarHBondContact O-N 3.25Å
86E97.2Very high95.9Very high64 Ų6473.5 Ų73.530%0.29938%0.382SS..BIsolated β-bridgetrans-70.7127.5-177.4-174.4144.2-166.600112F79 I88 R110F79-E86 WeakPolarHBondContact O-CA 3.29Å; E86-I88 HydrophobicContact CG-CD1 4.33Å; E86-R110 WeakPolarHBondContact OE1-CB 3.48Å; E86-R110 WeakPolarHBondContact OE1-CG 3.39Å; E86-R110 IonicContact OE1-CZ 3.67Å; E86-R110 IonicContact OE1-NE 3.16Å; E86-R110 PolarHBondContact OE1-NE 3.23Å; E86-R110 IonicContact OE1-NH2 2.93Å; E86-R110 IonicContact OE2-CZ 3.57Å; E86-R110 IonicContact OE2-NE 2.69Å; E86-R110 PolarHBondContact OE2-NE 3.08Å; E86-R110 IonicContact OE2-NH2 3.53Å; E86-R110 PolarHBondContact OE2-NH2 3.41Å
87I97.6Very high95.9Very high63 Ų6374.3 Ų74.332%0.32338%0.38SS..  trans-93.8106175.9-55172.4000108F79 D81 Q85 Q89F79-I87 PolarHBondContact O-N 2.85Å; D81-I87 HydrophobicContact CB-CD1 4.1Å; D81-I87 HydrophobicContact CB-CG1 4.25Å; Q85-I87 PolarHBondContact O-N 3.25Å; I87-Q89 PolarHBondContact O-NE2 3.27Å; I87-Q89 VanDerWaalsContact O-NE2 3.1Å
88I97.1Very high96Very high88 Ų8873.3 Ų73.345%0.45137%0.373SS..  trans-68.5130.2176.3-59.6-60.2000110.2E86 K108 R110E86-I88 HydrophobicContact CG-CD1 4.33Å; I88-K108 HydrophobicContact CG2-CB 3.57Å; I88-K108 HydrophobicContact CG2-CD 4.23Å; I88-K108 HydrophobicContact CG2-CG 4.02Å; I88-R110 HydrophobicContact CD1-CG 4.19Å
89Q96.6Very high96Very high22 Ų2266.6 Ų66.610%0.10335%0.347CS..EExtended strand (participates in β ladder)trans-98.5161-177.7-58.2-57.9-40.900111.3C77 Y78 I87 K108 Y109 A111C77-Q89 VanDerWaalsContact SG-CD 3.52Å; Y78-Q89 PolarHBondContact O-NE2 3.12Å; I87-Q89 PolarHBondContact O-NE2 3.27Å; I87-Q89 VanDerWaalsContact O-NE2 3.1Å; Q89-K108 CarbonylContact O-C 3.52Å; Q89-K108 WeakPolarHBondContact O-CA 3.42Å; Q89-Y109 HydrophobicContact CB-CD1 4.48Å; Q89-Y109 HydrophobicContact CB-CD2 4.32Å; Q89-Y109 HydrophobicContact CB-CE1 4.04Å; Q89-Y109 HydrophobicContact CB-CE2 3.86Å; Q89-Y109 PolarHBondContact N-O 3.08Å; Q89-Y109 WeakPolarHBondContact O-CD1 3.46Å; Q89-Y109 PolarHBondContact O-N 3.25Å; Q89-A111 HydrophobicContact CG-CB 3.81Å
90Q94.3Very high96Very high110 Ų11066.6 Ų66.651%0.51435%0.347SS..EExtended strand (participates in β ladder)trans-146.1155.4172.7-168.6-179.68.900109.1R53 G106R53-Q90 PolarHBondContact NH2-O 3.28Å; Q90-G106 WeakPolarHBondContact CG-O 3.24Å; Q90-G106 PolarHBondContact NE2-O 3.33Å
91G92.3Very high96Very high24 Ų2463.2 Ų63.225%0.24734%0.336CS..SBendtrans95.8151.5171.800000114.4R53 Y109R53-G91 PolarHBondContact NH2-O 3.45Å; G91-Y109 PolarHBondContact O-OH 3.47Å
92Q93.9Very high96.1Very high99 Ų9961.7 Ų61.746%0.46333%0.327SS..  trans-92.5115.8-176.3-51.5-172.614.100109.2M99Q92-M99 HydrophobicContact CB-CE 3.44Å; Q92-M99 VanDerWaalsContact CB-CE 3.44Å; Q92-M99 HydrophobicContact CB-SD 3.86Å; Q92-M99 HydrophobicContact CG-CE 3.36Å; Q92-M99 HydrophobicContact CG-SD 4.37Å
93K93.1Very high96.2Very high87 Ų8754.9 Ų54.938%0.37829%0.285SS..  trans-121.3-14.2-171-59.9-53.3-155.41390114.8R53 E75R53-K93 HydrophobicContact CB-CB 4.11Å; R53-K93 VanDerWaalsContact NH2-CG 3.26Å; R53-K93 CarbonylContact O-C 3.6Å; R53-K93 WeakPolarHBondContact O-CB 3.04Å; E75-K93 HydrophobicContact CB-CB 4.21Å; E75-K93 HydrophobicContact CG-CB 4.19Å; E75-K93 WeakPolarHBondContact OE2-CD 3.29Å; E75-K93 VanDerWaalsContact OE2-CE 3.25Å; E75-K93 WeakPolarHBondContact OE2-CE 3.07Å; E75-K93 IonicContact OE2-NZ 3.57Å; E75-K93 PolarHBondContact OE2-NZ 2.92Å
94A93.4Very high96.2Very high17 Ų1747.3 Ų47.314%0.1425%0.252CS..SBendtrans-107164.1174.700000109.7R53 M99R53-A94 PolarHBondContact O-N 3.03Å; A94-M99 HydrophobicContact CB-CG 3.99Å
95P96.5Very high96.1Very high37 Ų3748.3 Ų48.324%0.2426%0.262CS..  trans-57.9147.8165.1-18.731.3000111.2E97 Y98P95-E97 VanDerWaalsContact CB-OE1 3.31Å; P95-E97 WeakPolarHBondContact CB-OE1 3.34Å; P95-E97 WeakPolarHBondContact CB-OE2 3.07Å; P95-E97 PolarHBondContact O-N 3.32Å; P95-Y98 HydrophobicContact CB-CD2 4.02Å; P95-Y98 HydrophobicContact CG-CD2 4.21Å; P95-Y98 PolarHBondContact O-N 3.46Å
96I97.5Very high95.7Very high86 Ų8643.9 Ų43.944%0.44125%0.251SS..G310 helixtrans-59.6-33.1-166.259.5174.4000113.6Y98 M99I96-Y98 VanDerWaalsContact C-N 3.25Å; I96-Y98 PolarHBondContact O-N 3Å; I96-M99 PolarHBondContact O-N 3.28Å
97E97.8Very high95.5Very high51 Ų5145.1 Ų45.124%0.23826%0.26CS..G310 helixtrans-69.6-22.5-178.164-80.7-170.300112.7P95 V121 F131P95-E97 VanDerWaalsContact CB-OE1 3.31Å; P95-E97 WeakPolarHBondContact CB-OE1 3.34Å; P95-E97 WeakPolarHBondContact CB-OE2 3.07Å; P95-E97 PolarHBondContact O-N 3.32Å; E97-V121 WeakPolarHBondContact O-CG1 3.45Å; E97-F131 HydrophobicContact CB-CD1 3.94Å; E97-F131 HydrophobicContact CB-CD2 4.41Å; E97-F131 HydrophobicContact CB-CE1 4.23Å; E97-F131 HydrophobicContact CB-CG 4.03Å; E97-F131 HydrophobicContact CG-CD1 3.77Å; E97-F131 HydrophobicContact CG-CD2 4.1Å; E97-F131 HydrophobicContact CG-CE1 3.54Å; E97-F131 HydrophobicContact CG-CE2 3.89Å; E97-F131 HydrophobicContact CG-CG 4.04Å; E97-F131 HydrophobicContact CG-CZ 3.6Å
98Y98.4Very high95.4Very high4 Ų450 Ų502%0.01628%0.278CS..G310 helixtrans-93.3-14177.8-68.7-89.1000113.9Q56 L57 P95 I96 T118 V121 V122 F131Q56-Y98 HydrophobicContact CB-CD1 4.17Å; Q56-Y98 HydrophobicContact CB-CD2 4.19Å; Q56-Y98 HydrophobicContact CB-CE1 3.79Å; Q56-Y98 HydrophobicContact CB-CE2 3.82Å; Q56-Y98 HydrophobicContact CB-CG 4.34Å; L57-Y98 PolarHBondContact N-OH 3Å; P95-Y98 HydrophobicContact CB-CD2 4.02Å; P95-Y98 HydrophobicContact CG-CD2 4.21Å; P95-Y98 PolarHBondContact O-N 3.46Å; I96-Y98 VanDerWaalsContact C-N 3.25Å; I96-Y98 PolarHBondContact O-N 3Å; Y98-T118 PolarHBondContact O-OG1 3.48Å; Y98-V121 HydrophobicContact CD1-CG1 4.07Å; Y98-V122 HydrophobicContact CD1-CG2 4.06Å; Y98-V122 HydrophobicContact CE1-CG2 3.93Å; Y98-F131 HydrophobicContact CD1-CE1 4.27Å; Y98-F131 HydrophobicContact CD2-CE1 4.14Å; Y98-F131 HydrophobicContact CD2-CZ 4.49Å; Y98-F131 AromaticContact CE1-CE1 3.76Å; Y98-F131 HydrophobicContact CE1-CE1 3.76Å; Y98-F131 HydrophobicContact CE1-CZ 4.32Å; Y98-F131 AromaticContact CE2-CE1 3.61Å; Y98-F131 HydrophobicContact CE2-CE1 3.61Å; Y98-F131 AromaticContact CE2-CZ 3.62Å; Y98-F131 HydrophobicContact CE2-CZ 3.62Å; Y98-F131 HydrophobicContact CG-CE1 4.45Å; Y98-F131 AromaticContact CZ-CE1 3.42Å; Y98-F131 VanDerWaalsContact CZ-CE1 3.42Å; Y98-F131 AromaticContact CZ-CZ 3.53Å; Y98-F131 WeakPolarHBondContact OH-CZ 3.39Å
99M97.8Very high95.5Very high6 Ų646.6 Ų46.63%0.0326%0.26CS..  trans-77141.6-168.2-78.2174.855.700112.9Q92 A94 I96 T103 F104 F117 A136Q92-M99 HydrophobicContact CB-CE 3.44Å; Q92-M99 VanDerWaalsContact CB-CE 3.44Å; Q92-M99 HydrophobicContact CB-SD 3.86Å; Q92-M99 HydrophobicContact CG-CE 3.36Å; Q92-M99 HydrophobicContact CG-SD 4.37Å; A94-M99 HydrophobicContact CB-CG 3.99Å; I96-M99 PolarHBondContact O-N 3.28Å; M99-T103 WeakPolarHBondContact CE-OG1 3.49Å; M99-F104 HydrophobicContact CB-CE1 4.38Å; M99-F104 HydrophobicContact CB-CE2 3.8Å; M99-F104 HydrophobicContact CB-CZ 3.58Å; M99-F104 HydrophobicContact CE-CD1 3.81Å; M99-F104 HydrophobicContact CE-CD2 4.35Å; M99-F104 HydrophobicContact CE-CE1 3.64Å; M99-F104 HydrophobicContact CE-CE2 4.21Å; M99-F104 HydrophobicContact CE-CG 4.18Å; M99-F104 HydrophobicContact CE-CZ 3.87Å; M99-F104 HydrophobicContact SD-CE1 4.18Å; M99-F104 HydrophobicContact SD-CZ 4.3Å; M99-F117 WeakPolarHBondContact O-CE1 3.48Å; M99-A136 WeakPolarHBondContact O-CB 3.44Å
100A97.8Very high95.5Very high1 Ų151 Ų511%0.00828%0.276CS..  trans-72.8146.9172.400000111.3E102 T103 F104 A114 F117A100-E102 PolarHBondContact O-N 2.93Å; A100-E102 VanDerWaalsContact O-N 3.15Å; A100-T103 HydrophobicContact CB-CG2 4.07Å; A100-T103 WeakPolarHBondContact O-CB 3.42Å; A100-T103 PolarHBondContact O-N 2.72Å; A100-T103 PolarHBondContact O-OG1 2.91Å; A100-F104 WeakPolarHBondContact O-CD2 3.35Å; A100-F104 WeakPolarHBondContact O-CE2 3.28Å; A100-A114 HydrophobicContact CB-CB 3.92Å; A100-F117 VanDerWaalsContact CA-CD1 3.47Å; A100-F117 HydrophobicContact CB-CB 3.77Å; A100-F117 HydrophobicContact CB-CD1 3.79Å; A100-F117 HydrophobicContact CB-CG 3.83Å
101P97.7Very high95.7Very high14 Ų1445.9 Ų45.99%0.09125%0.252CS..G310 helixtrans-59.1-31.9-173.423.4-35.2000113.6T103 F104 F117 A136 Q137 Y143 K174P101-T103 PolarHBondContact O-N 2.8Å; P101-F104 WeakPolarHBondContact O-CD2 3.43Å; P101-F117 HydrophobicContact CG-CE2 4.37Å; P101-A136 HydrophobicContact CB-CB 4.39Å; P101-A136 WeakPolarHBondContact CB-O 3.48Å; P101-Q137 PolarHBondContact O-NE2 3.24Å; P101-Q137 VanDerWaalsContact O-NE2 3.17Å; P101-Y143 HydrophobicContact CB-CE2 4.45Å; P101-Y143 WeakPolarHBondContact CB-OH 3.33Å; P101-Y143 VanDerWaalsContact CG-OH 3.31Å; P101-Y143 WeakPolarHBondContact CG-OH 3.36Å; P101-K174 WeakPolarHBondContact CG-O 3.17Å
102E97.3Very high95.9Very high25 Ų2546.3 Ų46.312%0.11725%0.248CC..G310 helixtrans-74.1-7.7179.167.1-89.2-157.400114.5A100 N107 Y109 A114 P176 R179A100-E102 PolarHBondContact O-N 2.93Å; A100-E102 VanDerWaalsContact O-N 3.15Å; E102-N107 WeakPolarHBondContact O-CB 3.35Å; E102-Y109 HydrophobicContact CG-CG 4.42Å; E102-A114 WeakPolarHBondContact OE1-CA 3.34Å; E102-A114 PolarHBondContact OE1-N 2.83Å; E102-P176 HydrophobicContact CB-CG 4.46Å; E102-P176 HydrophobicContact CG-CB 4.49Å; E102-P176 HydrophobicContact CG-CG 4.45Å; E102-R179 IonicContact OE1-CZ 2.95Å; E102-R179 IonicContact OE1-NH1 2.72Å; E102-R179 PolarHBondContact OE1-NH1 3Å; E102-R179 IonicContact OE1-NH2 3.74Å; E102-R179 IonicContact OE2-CZ 3.55Å; E102-R179 IonicContact OE2-NH1 3.65Å; E102-R179 IonicContact OE2-NH2 2.75Å; E102-R179 PolarHBondContact OE2-NH2 3.18Å
103T96.9Very high96Very high8 Ų842.4 Ų42.45%0.04923%0.231CC..G310 helixtrans-90.5-11.6-176.866.70000113.6M99 A100 P101 Y109 A114M99-T103 WeakPolarHBondContact CE-OG1 3.49Å; A100-T103 HydrophobicContact CB-CG2 4.07Å; A100-T103 WeakPolarHBondContact O-CB 3.42Å; A100-T103 PolarHBondContact O-N 2.72Å; A100-T103 PolarHBondContact O-OG1 2.91Å; P101-T103 PolarHBondContact O-N 2.8Å; T103-Y109 HydrophobicContact CG2-CD1 4.18Å; T103-Y109 HydrophobicContact CG2-CD2 3.94Å; T103-Y109 HydrophobicContact CG2-CE1 3.97Å; T103-Y109 HydrophobicContact CG2-CE2 3.74Å; T103-Y109 HydrophobicContact CG2-CG 4.17Å; T103-A114 HydrophobicContact CG2-CB 3.94Å
104F96.5Very high96.3Very high12 Ų1238.6 Ų38.65%0.05322%0.216CC..SBendtrans-78.4169.1179.4-65-85.3000112.3M99 A100 P101 G106 N107 I135 A136 Q137M99-F104 HydrophobicContact CB-CE1 4.38Å; M99-F104 HydrophobicContact CB-CE2 3.8Å; M99-F104 HydrophobicContact CB-CZ 3.58Å; M99-F104 HydrophobicContact CE-CD1 3.81Å; M99-F104 HydrophobicContact CE-CD2 4.35Å; M99-F104 HydrophobicContact CE-CE1 3.64Å; M99-F104 HydrophobicContact CE-CE2 4.21Å; M99-F104 HydrophobicContact CE-CG 4.18Å; M99-F104 HydrophobicContact CE-CZ 3.87Å; M99-F104 HydrophobicContact SD-CE1 4.18Å; M99-F104 HydrophobicContact SD-CZ 4.3Å; A100-F104 WeakPolarHBondContact O-CD2 3.35Å; A100-F104 WeakPolarHBondContact O-CE2 3.28Å; P101-F104 WeakPolarHBondContact O-CD2 3.43Å; F104-G106 PolarHBondContact O-N 3.39Å; F104-G106 VanDerWaalsContact O-N 3.08Å; F104-N107 WeakPolarHBondContact O-CB 3.35Å; F104-N107 PolarHBondContact O-N 3.07Å; F104-N107 VanDerWaalsContact O-N 3.11Å; F104-N107 PolarHBondContact O-ND2 3.06Å; F104-N107 VanDerWaalsContact O-ND2 3.08Å; F104-I135 HydrophobicContact CD1-CD1 4.23Å; F104-I135 HydrophobicContact CE1-CD1 3.73Å; F104-I135 HydrophobicContact CE1-CG1 3.77Å; F104-I135 HydrophobicContact CE2-CG1 4.43Å; F104-I135 HydrophobicContact CZ-CD1 4.16Å; F104-I135 HydrophobicContact CZ-CG1 3.66Å; F104-A136 HydrophobicContact CE2-CB 4.27Å; F104-Q137 HydrophobicContact CD1-CG 4.45Å; F104-Q137 HydrophobicContact CD2-CG 4.08Å; F104-Q137 HydrophobicContact CE2-CG 4.35Å; F104-Q137 HydrophobicContact CG-CG 4.12Å
105G90.7Very high96.5Very high70 Ų7038 Ų3872%0.72221%0.21SC*.THydrogen-bonded Turntrans66.912170.500000116.3N107G105-N107 PolarHBondContact O-N 3.25Å
106G89.7Confident96.6Very high34 Ų3436.8 Ų36.835%0.35120%0.202SC..THydrogen-bonded Turntrans71.618.1-174.100000113Q90 F104Q90-G106 WeakPolarHBondContact CG-O 3.24Å; Q90-G106 PolarHBondContact NE2-O 3.33Å; F104-G106 PolarHBondContact O-N 3.39Å; F104-G106 VanDerWaalsContact O-N 3.08Å
107N92.7Very high96.6Very high89 Ų8932.7 Ų32.748%0.47618%0.181SC..  trans-63.5150.7177.8-70.6-33.5000111.8E102 F104 G105E102-N107 WeakPolarHBondContact O-CB 3.35Å; F104-N107 WeakPolarHBondContact O-CB 3.35Å; F104-N107 PolarHBondContact O-N 3.07Å; F104-N107 VanDerWaalsContact O-N 3.11Å; F104-N107 PolarHBondContact O-ND2 3.06Å; F104-N107 VanDerWaalsContact O-ND2 3.08Å; G105-N107 PolarHBondContact O-N 3.25Å
108K96.2Very high96.7Very high165 Ų16530.8 Ų30.872%0.71717%0.172SC*.EExtended strand (participates in β ladder)trans-85.2133.1169.2-78.9-176.2-175.7179.20109I88 Q89I88-K108 HydrophobicContact CG2-CB 3.57Å; I88-K108 HydrophobicContact CG2-CD 4.23Å; I88-K108 HydrophobicContact CG2-CG 4.02Å; Q89-K108 CarbonylContact O-C 3.52Å; Q89-K108 WeakPolarHBondContact O-CA 3.42Å
109Y97.7Very high96.7Very high18 Ų1830.7 Ų30.77%0.07117%0.172CC..EExtended strand (participates in β ladder)trans-145.9158.7-174.166.9-87.6000113.1R53 Q89 G91 E102 T103 A114R53-Y109 VanDerWaalsContact CZ-OH 3.32Å; R53-Y109 PolarHBondContact NE-OH 3.23Å; R53-Y109 PolarHBondContact NH2-OH 3.3Å; Q89-Y109 HydrophobicContact CB-CD1 4.48Å; Q89-Y109 HydrophobicContact CB-CD2 4.32Å; Q89-Y109 HydrophobicContact CB-CE1 4.04Å; Q89-Y109 HydrophobicContact CB-CE2 3.86Å; Q89-Y109 PolarHBondContact N-O 3.08Å; Q89-Y109 WeakPolarHBondContact O-CD1 3.46Å; Q89-Y109 PolarHBondContact O-N 3.25Å; G91-Y109 PolarHBondContact O-OH 3.47Å; E102-Y109 HydrophobicContact CG-CG 4.42Å; T103-Y109 HydrophobicContact CG2-CD1 4.18Å; T103-Y109 HydrophobicContact CG2-CD2 3.94Å; T103-Y109 HydrophobicContact CG2-CE1 3.97Å; T103-Y109 HydrophobicContact CG2-CE2 3.74Å; T103-Y109 HydrophobicContact CG2-CG 4.17Å; Y109-A114 HydrophobicContact CD2-CB 3.86Å; Y109-A114 HydrophobicContact CE2-CB 3.89Å
110R97.4Very high96.7Very high113 Ų11330.4 Ų30.443%0.42617%0.171SC..  trans-80.8132.6171.2-64.7-179.369.9-176.77.9109.4E86 I88 P113E86-R110 WeakPolarHBondContact OE1-CB 3.48Å; E86-R110 WeakPolarHBondContact OE1-CG 3.39Å; E86-R110 IonicContact OE1-CZ 3.67Å; E86-R110 IonicContact OE1-NE 3.16Å; E86-R110 PolarHBondContact OE1-NE 3.23Å; E86-R110 IonicContact OE1-NH2 2.93Å; E86-R110 IonicContact OE2-CZ 3.57Å; E86-R110 IonicContact OE2-NE 2.69Å; E86-R110 PolarHBondContact OE2-NE 3.08Å; E86-R110 IonicContact OE2-NH2 3.53Å; E86-R110 PolarHBondContact OE2-NH2 3.41Å; I88-R110 HydrophobicContact CD1-CG 4.19Å; R110-P113 HydrophobicContact CB-CG 4.14Å; R110-P113 WeakPolarHBondContact O-CD 3.49Å
111A97.3Very high96.8Very high3 Ų330.3 Ų30.33%0.02517%0.17CC..Hα-helixtrans-70.6-40.6-172.500000113.1T51 F79 Q89 A114 E115T51-A111 HydrophobicContact CG2-CB 3.53Å; F79-A111 HydrophobicContact CB-CB 3.55Å; F79-A111 HydrophobicContact CG-CB 4.25Å; Q89-A111 HydrophobicContact CG-CB 3.81Å; A111-A114 PolarHBondContact O-N 2.69Å; A111-E115 PolarHBondContact O-N 2.9Å
112E96.9Very high96.8Very high34 Ų3429.7 Ų29.716%0.15917%0.166CC..Hα-helixtrans-62.7-48.8-173.5-61.6177.492.900113.1H46 F79 R80 A114 E115 I116H46-E112 IonicContact ND1-OE1 2.84Å; F79-E112 HydrophobicContact CD1-CG 4.16Å; F79-E112 HydrophobicContact CD2-CG 3.64Å; F79-E112 HydrophobicContact CE1-CG 3.76Å; F79-E112 HydrophobicContact CE2-CG 3.27Å; F79-E112 WeakPolarHBondContact CE2-OE2 3.49Å; F79-E112 HydrophobicContact CG-CG 4.09Å; F79-E112 HydrophobicContact CZ-CG 3.31Å; F79-E112 WeakPolarHBondContact CZ-OE1 3.41Å; R80-E112 IonicContact CZ-OE2 3.63Å; R80-E112 IonicContact NH2-OE1 3.39Å; R80-E112 PolarHBondContact NH2-OE1 3.28Å; R80-E112 IonicContact NH2-OE2 2.72Å; R80-E112 PolarHBondContact NH2-OE2 3.28Å; E112-A114 VanDerWaalsContact C-N 3.29Å; E112-A114 PolarHBondContact O-N 3.38Å; E112-E115 PolarHBondContact O-N 3.16Å; E112-I116 WeakPolarHBondContact O-CG1 3.49Å; E112-I116 PolarHBondContact O-N 3.1Å; E112-I116 VanDerWaalsContact O-N 3.07Å
113P97.7Very high96.9Very high17 Ų1728.5 Ų28.511%0.1116%0.16CC..Hα-helixtrans-61.9-39.1177.8-23.235.6000112.1R110 I116 F117 P176 R179R110-P113 HydrophobicContact CB-CG 4.14Å; R110-P113 WeakPolarHBondContact O-CD 3.49Å; P113-I116 PolarHBondContact O-N 2.92Å; P113-F117 PolarHBondContact O-N 3.39Å; P113-P176 HydrophobicContact CB-CB 3.92Å; P113-R179 WeakPolarHBondContact O-CD 3.45Å; P113-R179 PolarHBondContact O-NH1 2.78Å
114A97.8Very high96.9Very high6 Ų628.1 Ų28.15%0.0516%0.158CC..Hα-helixtrans-62.8-43.7179.400000111.4A100 E102 T103 Y109 A111 E112 I116 F117 T118A100-A114 HydrophobicContact CB-CB 3.92Å; E102-A114 WeakPolarHBondContact OE1-CA 3.34Å; E102-A114 PolarHBondContact OE1-N 2.83Å; T103-A114 HydrophobicContact CG2-CB 3.94Å; Y109-A114 HydrophobicContact CD2-CB 3.86Å; Y109-A114 HydrophobicContact CE2-CB 3.89Å; A111-A114 PolarHBondContact O-N 2.69Å; E112-A114 VanDerWaalsContact C-N 3.29Å; E112-A114 PolarHBondContact O-N 3.38Å; A114-I116 PolarHBondContact O-N 3.23Å; A114-F117 WeakPolarHBondContact O-CB 3.29Å; A114-F117 PolarHBondContact O-N 2.99Å; A114-T118 PolarHBondContact O-N 3.02Å; A114-T118 PolarHBondContact O-OG1 3.16Å
115E98.1Very high97Very high5 Ų527.6 Ų27.62%0.02316%0.156CC..Hα-helixtrans-64.1-38.9176.1-164.675.7-103.400112.1T51 I52 R53 L55 A111 E112 F117 T118 C119T51-E115 WeakPolarHBondContact CB-OE2 3.48Å; T51-E115 HydrophobicContact CG2-CB 4.24Å; I52-E115 WeakPolarHBondContact CA-OE2 3.39Å; I52-E115 WeakPolarHBondContact CB-OE2 3.49Å; I52-E115 PolarHBondContact N-OE2 3.25Å; R53-E115 PolarHBondContact N-OE2 3.41Å; L55-E115 WeakPolarHBondContact CB-OE1 3.27Å; A111-E115 PolarHBondContact O-N 2.9Å; E112-E115 PolarHBondContact O-N 3.16Å; E115-F117 VanDerWaalsContact C-N 3.32Å; E115-F117 PolarHBondContact O-N 3.2Å; E115-T118 PolarHBondContact O-N 3.33Å; E115-C119 PolarHBondContact O-N 3.34Å; E115-C119 PolarHBondContact O-SG 3Å
116I98.3Very high97.4Very high12 Ų1224.4 Ų24.46%0.06212%0.122CC..Hα-helixtrans-60.7-43.1175.4-68.9165000110.6E112 P113 A114 C119 G120 I171 R179 L182E112-I116 WeakPolarHBondContact O-CG1 3.49Å; E112-I116 PolarHBondContact O-N 3.1Å; E112-I116 VanDerWaalsContact O-N 3.07Å; P113-I116 PolarHBondContact O-N 2.92Å; A114-I116 PolarHBondContact O-N 3.23Å; I116-C119 WeakPolarHBondContact O-CB 3.25Å; I116-C119 PolarHBondContact O-N 3.47Å; I116-G120 PolarHBondContact O-N 2.9Å; I116-I171 HydrophobicContact CG2-CG2 3.92Å; I116-I171 WeakPolarHBondContact O-CG2 3.17Å; I116-R179 HydrophobicContact CG2-CG 4.35Å; I116-L182 HydrophobicContact CD1-CB 4.02Å; I116-L182 HydrophobicContact CG1-CB 4.33Å
117F98.6Very high97.8Very high0 Ų023.1 Ų23.10%011%0.108CC..Hα-helixtrans-60.8-47175.4-174-82.4000111.6M99 A100 P101 P113 A114 E115 C119 G120 V121 W133 A136 Y143 L172M99-F117 WeakPolarHBondContact O-CE1 3.48Å; A100-F117 VanDerWaalsContact CA-CD1 3.47Å; A100-F117 HydrophobicContact CB-CB 3.77Å; A100-F117 HydrophobicContact CB-CD1 3.79Å; A100-F117 HydrophobicContact CB-CG 3.83Å; P101-F117 HydrophobicContact CG-CE2 4.37Å; P113-F117 PolarHBondContact O-N 3.39Å; A114-F117 WeakPolarHBondContact O-CB 3.29Å; A114-F117 PolarHBondContact O-N 2.99Å; E115-F117 VanDerWaalsContact C-N 3.32Å; E115-F117 PolarHBondContact O-N 3.2Å; F117-C119 VanDerWaalsContact C-N 3.26Å; F117-C119 PolarHBondContact O-N 3.39Å; F117-G120 WeakPolarHBondContact O-CA 3.19Å; F117-G120 PolarHBondContact O-N 3.34Å; F117-V121 HydrophobicContact CD1-CG2 4.03Å; F117-V121 HydrophobicContact CE1-CG2 3.83Å; F117-V121 PolarHBondContact O-N 3.4Å; F117-W133 AromaticContact CE1-CZ2 3.86Å; F117-W133 HydrophobicContact CE1-CZ2 3.86Å; F117-W133 HydrophobicContact CE2-CZ2 4.17Å; F117-W133 HydrophobicContact CZ-CH2 4.07Å; F117-W133 AromaticContact CZ-CZ2 3.31Å; F117-W133 HydrophobicContact CZ-CZ2 3.31Å; F117-A136 HydrophobicContact CE1-CB 4.16Å; F117-A136 HydrophobicContact CZ-CB 3.97Å; F117-Y143 HydrophobicContact CZ-CE2 4.39Å; F117-L172 HydrophobicContact CD1-CD2 4.31Å; F117-L172 HydrophobicContact CD2-CD2 4.14Å; F117-L172 HydrophobicContact CE1-CD2 4.28Å; F117-L172 HydrophobicContact CE2-CB 4.29Å; F117-L172 HydrophobicContact CE2-CD2 4.11Å; F117-L172 HydrophobicContact CG-CD2 4.27Å; F117-L172 HydrophobicContact CZ-CD2 4.21Å
118T98.4Very high98Very high10 Ų1019 Ų196%0.0619%0.085CC..Hα-helixtrans-58.4-39.2176.4-640000111.7L55 Y98 A114 E115 G120 V121 V122L55-T118 HydrophobicContact CB-CG2 3.88Å; L55-T118 HydrophobicContact CD2-CG2 4.35Å; L55-T118 HydrophobicContact CG-CG2 4.31Å; L55-T118 VanDerWaalsContact O-CG2 3.27Å; L55-T118 WeakPolarHBondContact O-CG2 3.34Å; Y98-T118 PolarHBondContact O-OG1 3.48Å; A114-T118 PolarHBondContact O-N 3.02Å; A114-T118 PolarHBondContact O-OG1 3.16Å; E115-T118 PolarHBondContact O-N 3.33Å; T118-G120 VanDerWaalsContact C-N 3.3Å; T118-G120 PolarHBondContact O-N 3.29Å; T118-V121 PolarHBondContact O-N 3.21Å; T118-V122 WeakPolarHBondContact O-CG2 3.37Å; T118-V122 PolarHBondContact O-N 3Å
119C98.6Very high98.1Very high2 Ų213.2 Ų13.21%0.0147%0.066CC..Hα-helixtrans-60.1-40.1171.7-65.10000112F35 M39 L55 E115 I116 F117 V121 V122 L123F35-C119 HydrophobicContact CE2-CB 4.09Å; F35-C119 VanDerWaalsContact CE2-O 3.28Å; F35-C119 WeakPolarHBondContact CE2-O 3.46Å; F35-C119 HydrophobicContact CZ-CB 4.46Å; M39-C119 HydrophobicContact CE-CB 3.54Å; L55-C119 HydrophobicContact CD2-CB 4.48Å; L55-C119 WeakPolarHBondContact CD2-SG 3.31Å; E115-C119 PolarHBondContact O-N 3.34Å; E115-C119 PolarHBondContact O-SG 3Å; I116-C119 WeakPolarHBondContact O-CB 3.25Å; I116-C119 PolarHBondContact O-N 3.47Å; F117-C119 VanDerWaalsContact C-N 3.26Å; F117-C119 PolarHBondContact O-N 3.39Å; C119-V121 VanDerWaalsContact C-N 3.34Å; C119-V121 PolarHBondContact O-N 2.94Å; C119-V122 WeakPolarHBondContact O-CB 3.44Å; C119-V122 PolarHBondContact O-N 3.1Å; C119-L123 PolarHBondContact O-N 3.49Å
120G98.6Very high98Very high0 Ų017 Ų170%08%0.084CC..Hα-helixtrans-60.9-40.2174.400000113.2I116 F117 T118 V122 L123 F124 I171I116-G120 PolarHBondContact O-N 2.9Å; F117-G120 WeakPolarHBondContact O-CA 3.19Å; F117-G120 PolarHBondContact O-N 3.34Å; T118-G120 VanDerWaalsContact C-N 3.3Å; T118-G120 PolarHBondContact O-N 3.29Å; G120-V122 VanDerWaalsContact C-N 3.34Å; G120-L123 PolarHBondContact O-N 3.01Å; G120-F124 PolarHBondContact O-N 2.9Å; G120-I171 VanDerWaalsContact CA-CG2 3.42Å
121V98.8Very high98.1Very high0 Ų014.7 Ų14.70%08%0.078CC..Hα-helixtrans-64.5-42.3174.9178.50000110.4E97 Y98 F117 T118 C119 L123 F124 A125 F131 P132 W133 L172E97-V121 WeakPolarHBondContact O-CG1 3.45Å; Y98-V121 HydrophobicContact CD1-CG1 4.07Å; F117-V121 HydrophobicContact CD1-CG2 4.03Å; F117-V121 HydrophobicContact CE1-CG2 3.83Å; F117-V121 PolarHBondContact O-N 3.4Å; T118-V121 PolarHBondContact O-N 3.21Å; C119-V121 VanDerWaalsContact C-N 3.34Å; C119-V121 PolarHBondContact O-N 2.94Å; V121-L123 PolarHBondContact O-N 2.75Å; V121-F124 WeakPolarHBondContact O-CB 3.43Å; V121-F124 PolarHBondContact O-N 3.07Å; V121-A125 WeakPolarHBondContact O-CB 3.2Å; V121-A125 PolarHBondContact O-N 2.81Å; V121-F131 HydrophobicContact CG1-CD1 3.74Å; V121-F131 HydrophobicContact CG1-CE1 4.11Å; V121-P132 HydrophobicContact CG1-CG 4.39Å; V121-P132 HydrophobicContact CG2-CG 4.4Å; V121-W133 HydrophobicContact CG2-CZ2 4.48Å; V121-L172 HydrophobicContact CG2-CD2 3.91Å
122V98.7Very high98.1Very high0 Ų014.6 Ų14.60%08%0.076CC..Hα-helixtrans-59.1-45.7174.5165.20000111.5L38 L55 L57 L60 Y98 T118 C119 G120 A125 M126L38-V122 HydrophobicContact CD2-CB 4.46Å; L38-V122 HydrophobicContact CD2-CG1 3.84Å; L55-V122 HydrophobicContact CG-CG2 4.32Å; L57-V122 HydrophobicContact CD2-CG1 3.99Å; L60-V122 HydrophobicContact CD1-CG1 3.76Å; Y98-V122 HydrophobicContact CD1-CG2 4.06Å; Y98-V122 HydrophobicContact CE1-CG2 3.93Å; T118-V122 WeakPolarHBondContact O-CG2 3.37Å; T118-V122 PolarHBondContact O-N 3Å; C119-V122 WeakPolarHBondContact O-CB 3.44Å; C119-V122 PolarHBondContact O-N 3.1Å; G120-V122 VanDerWaalsContact C-N 3.34Å; V122-A125 PolarHBondContact O-N 3.47Å; V122-M126 HydrophobicContact CG1-CE 4.02Å; V122-M126 HydrophobicContact CG1-SD 4.48Å; V122-M126 WeakPolarHBondContact O-CG 3.34Å; V122-M126 PolarHBondContact O-N 3.44Å
123L98.6Very high98.2Very high0 Ų013.1 Ų13.10%07%0.07CC..Hα-helixtrans-59.1-48.5174.8176.957.5000111.1I32 F35 C119 G120 V121 A125 M126 L127 L167 L168I32-L123 HydrophobicContact CD1-CD1 4.16Å; F35-L123 HydrophobicContact CB-CD1 3.87Å; F35-L123 HydrophobicContact CD1-CD1 4.22Å; F35-L123 HydrophobicContact CD1-CD2 3.97Å; F35-L123 HydrophobicContact CD1-CG 4.5Å; F35-L123 HydrophobicContact CD2-CB 3.64Å; F35-L123 HydrophobicContact CD2-CD1 4.13Å; F35-L123 HydrophobicContact CD2-CD2 4.44Å; F35-L123 HydrophobicContact CD2-CG 4.27Å; F35-L123 HydrophobicContact CE1-CD2 3.89Å; F35-L123 HydrophobicContact CE2-CB 3.66Å; F35-L123 HydrophobicContact CE2-CD2 4.39Å; F35-L123 HydrophobicContact CE2-CG 4.49Å; F35-L123 HydrophobicContact CG-CB 4.15Å; F35-L123 HydrophobicContact CG-CD1 3.79Å; F35-L123 HydrophobicContact CG-CD2 4.24Å; F35-L123 HydrophobicContact CG-CG 4.27Å; F35-L123 HydrophobicContact CZ-CB 4.17Å; F35-L123 HydrophobicContact CZ-CD2 4.11Å; C119-L123 PolarHBondContact O-N 3.49Å; G120-L123 PolarHBondContact O-N 3.01Å; V121-L123 PolarHBondContact O-N 2.75Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 3.49Å; L123-M126 HydrophobicContact CD1-CE 4.41Å; L123-M126 PolarHBondContact O-N 2.96Å; L123-L127 HydrophobicContact CD1-CD1 3.77Å; L123-L127 HydrophobicContact CD1-CD2 4.34Å; L123-L127 HydrophobicContact CD1-CG 3.89Å; L123-L127 HydrophobicContact CG-CD1 3.78Å; L123-L127 HydrophobicContact CG-CG 4.33Å; L123-L127 VanDerWaalsContact O-CG 3.24Å; L123-L127 WeakPolarHBondContact O-CG 3.49Å; L123-L127 PolarHBondContact O-N 3.05Å; L123-L167 HydrophobicContact CD2-CD2 4.48Å; L123-L168 HydrophobicContact CB-CD2 4.34Å; L123-L168 HydrophobicContact CD2-CD2 3.91Å; L123-L168 HydrophobicContact CD2-CG 4.38Å; L123-L168 HydrophobicContact CG-CD2 4.08Å
124F98.6Very high98.1Very high0 Ų018.4 Ų18.40%09%0.093CC..Hα-helixtrans-55.6-50.4179-171.2-79.4000110.8G120 V121 M126 L127 T128 E130 F131 P132 P156 F157 T160 L168G120-F124 PolarHBondContact O-N 2.9Å; V121-F124 WeakPolarHBondContact O-CB 3.43Å; V121-F124 PolarHBondContact O-N 3.07Å; F124-M126 VanDerWaalsContact C-N 3.34Å; F124-M126 PolarHBondContact O-N 2.83Å; F124-L127 PolarHBondContact O-N 3.16Å; F124-L127 VanDerWaalsContact O-N 3.1Å; F124-T128 HydrophobicContact CD1-CG2 4.14Å; F124-T128 WeakPolarHBondContact CD1-OG1 3.47Å; F124-T128 HydrophobicContact CE1-CG2 3.81Å; F124-T128 WeakPolarHBondContact CE1-OG1 3.13Å; F124-T128 HydrophobicContact CE2-CG2 4.39Å; F124-T128 HydrophobicContact CZ-CG2 3.94Å; F124-T128 PolarHBondContact O-N 2.98Å; F124-T128 PolarHBondContact O-OG1 3.31Å; F124-E130 WeakPolarHBondContact CD1-O 3.45Å; F124-E130 WeakPolarHBondContact CE1-O 3.37Å; F124-F131 VanDerWaalsContact CE1-C 3.5Å; F124-P132 HydrophobicContact CB-CG 4.49Å; F124-P132 HydrophobicContact CD1-CB 3.96Å; F124-P132 VanDerWaalsContact CD1-CD 3.49Å; F124-P132 HydrophobicContact CD1-CG 4.2Å; F124-P132 HydrophobicContact CD2-CB 3.97Å; F124-P132 HydrophobicContact CE1-CB 3.99Å; F124-P132 HydrophobicContact CE2-CB 3.99Å; F124-P132 HydrophobicContact CG-CB 3.96Å; F124-P132 HydrophobicContact CG-CG 4.18Å; F124-P132 HydrophobicContact CZ-CB 3.99Å; F124-P156 HydrophobicContact CE1-CB 3.99Å; F124-P156 HydrophobicContact CE1-CG 3.97Å; F124-P156 HydrophobicContact CZ-CB 3.91Å; F124-P156 HydrophobicContact CZ-CG 3.85Å; F124-F157 AromaticContact CE2-CD1 3.61Å; F124-F157 HydrophobicContact CE2-CD1 3.61Å; F124-F157 HydrophobicContact CE2-CE1 4.07Å; F124-F157 HydrophobicContact CE2-CG 4.35Å; F124-F157 HydrophobicContact CZ-CD1 4.06Å; F124-F157 HydrophobicContact CZ-CE1 4.43Å; F124-F157 HydrophobicContact CZ-CG 4.49Å; F124-T160 HydrophobicContact CD2-CG2 3.85Å; F124-T160 HydrophobicContact CE2-CG2 3.5Å; F124-T160 HydrophobicContact CZ-CG2 4.18Å; F124-L168 HydrophobicContact CB-CD2 4.24Å; F124-L168 HydrophobicContact CD2-CD1 4.25Å
125A98.6Very high98.2Very high2 Ų220.6 Ų20.62%0.01710%0.103CC..Hα-helixtrans-63.1-37179.700000112.9V22 L57 V121 V122 L123 L127 S129 E130 F131V22-A125 WeakPolarHBondContact CG1-O 3.48Å; L57-A125 HydrophobicContact CD1-CB 3.88Å; V121-A125 WeakPolarHBondContact O-CB 3.2Å; V121-A125 PolarHBondContact O-N 2.81Å; V122-A125 PolarHBondContact O-N 3.47Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 3.49Å; A125-L127 VanDerWaalsContact C-N 3.34Å; A125-L127 PolarHBondContact O-N 3.47Å; A125-S129 VanDerWaalsContact O-CA 3.23Å; A125-S129 WeakPolarHBondContact O-CA 3.43Å; A125-S129 PolarHBondContact O-N 2.84Å; A125-E130 VanDerWaalsContact CA-O 3.28Å; A125-E130 WeakPolarHBondContact CA-O 3.35Å; A125-F131 HydrophobicContact CB-CE1 4.32Å
126M98.6Very high98.1Very high2 Ų220.4 Ų20.41%0.0110%0.102CC..Hα-helixtrans-64.5-37.2173.4-73.2-169.1-61.100112.8V18 V22 L26 A31 F35 L57 V122 L123 F124V18-M126 HydrophobicContact CG1-CG 3.95Å; V18-M126 HydrophobicContact CG1-SD 3.71Å; V22-M126 HydrophobicContact CG2-CB 4.42Å; V22-M126 HydrophobicContact CG2-CG 4.08Å; L26-M126 HydrophobicContact CD2-CB 3.92Å; L26-M126 HydrophobicContact CD2-CG 4Å; L26-M126 HydrophobicContact CD2-SD 4.25Å; A31-M126 HydrophobicContact CB-CB 3.8Å; F35-M126 HydrophobicContact CB-CE 3.81Å; F35-M126 HydrophobicContact CD2-CE 4.07Å; F35-M126 HydrophobicContact CG-CE 4.42Å; L57-M126 HydrophobicContact CD2-CG 3.72Å; V122-M126 HydrophobicContact CG1-CE 4.02Å; V122-M126 HydrophobicContact CG1-SD 4.48Å; V122-M126 WeakPolarHBondContact O-CG 3.34Å; V122-M126 PolarHBondContact O-N 3.44Å; L123-M126 HydrophobicContact CD1-CE 4.41Å; L123-M126 PolarHBondContact O-N 2.96Å; F124-M126 VanDerWaalsContact C-N 3.34Å; F124-M126 PolarHBondContact O-N 2.83Å
127L97.6Very high98.1Very high8 Ų822 Ų224%0.04211%0.109CC..Hα-helixtrans-76.7-37.1-178.3-66.2170.2000112.8V28 A31 I32 L123 F124 A125 P161 T164 L168V28-L127 HydrophobicContact CG1-CD2 3.48Å; V28-L127 VanDerWaalsContact CG1-CD2 3.48Å; A31-L127 HydrophobicContact CB-CD2 4.07Å; I32-L127 HydrophobicContact CD1-CD2 4.1Å; L123-L127 HydrophobicContact CD1-CD1 3.77Å; L123-L127 HydrophobicContact CD1-CD2 4.34Å; L123-L127 HydrophobicContact CD1-CG 3.89Å; L123-L127 HydrophobicContact CG-CD1 3.78Å; L123-L127 HydrophobicContact CG-CG 4.33Å; L123-L127 VanDerWaalsContact O-CG 3.24Å; L123-L127 WeakPolarHBondContact O-CG 3.49Å; L123-L127 PolarHBondContact O-N 3.05Å; F124-L127 PolarHBondContact O-N 3.16Å; F124-L127 VanDerWaalsContact O-N 3.1Å; A125-L127 VanDerWaalsContact C-N 3.34Å; A125-L127 PolarHBondContact O-N 3.47Å; L127-P161 HydrophobicContact CD2-CG 4.37Å; L127-T164 HydrophobicContact CD1-CG2 3.88Å; L127-T164 HydrophobicContact CD2-CG2 4.25Å; L127-L168 HydrophobicContact CD1-CD1 4.2Å
128T96.9Very high98Very high1 Ų125.6 Ų25.61%0.00613%0.133CC..Hα-helixtrans-109.2-22.1-168.764.80000113.5F124 E130 L159 T160 K209F124-T128 HydrophobicContact CD1-CG2 4.14Å; F124-T128 WeakPolarHBondContact CD1-OG1 3.47Å; F124-T128 HydrophobicContact CE1-CG2 3.81Å; F124-T128 WeakPolarHBondContact CE1-OG1 3.13Å; F124-T128 HydrophobicContact CE2-CG2 4.39Å; F124-T128 HydrophobicContact CZ-CG2 3.94Å; F124-T128 PolarHBondContact O-N 2.98Å; F124-T128 PolarHBondContact O-OG1 3.31Å; T128-E130 PolarHBondContact O-N 3.23Å; T128-E130 PolarHBondContact OG1-N 3.22Å; T128-E130 PolarHBondContact OG1-O 3.38Å; T128-L159 HydrophobicContact CG2-CB 3.8Å; T128-T160 HydrophobicContact CG2-CG2 3.7Å; T128-K209 WeakPolarHBondContact O-CE 3.43Å; T128-K209 PolarHBondContact O-NZ 3.03Å; T128-K209 VanDerWaalsContact O-NZ 3.09Å
129S97.4Very high97.8Very high45 Ų4532.4 Ų32.432%0.31516%0.164SC..SBendtrans62.318.5-162.3-45.40000114.1V22 A125 K209V22-S129 PolarHBondContact O-OG 3.31Å; A125-S129 VanDerWaalsContact O-CA 3.23Å; A125-S129 WeakPolarHBondContact O-CA 3.43Å; A125-S129 PolarHBondContact O-N 2.84Å; S129-K209 PolarHBondContact OG-NZ 3.4Å
130E97.4Very high97.8Very high96 Ų9632.8 Ų32.845%0.44917%0.166SC..SBendtrans-131160.5-179.8-63.6-72.9176.500109F124 A125 T128 P156 L159F124-E130 WeakPolarHBondContact CD1-O 3.45Å; F124-E130 WeakPolarHBondContact CE1-O 3.37Å; A125-E130 VanDerWaalsContact CA-O 3.28Å; A125-E130 WeakPolarHBondContact CA-O 3.35Å; T128-E130 PolarHBondContact O-N 3.23Å; T128-E130 PolarHBondContact OG1-N 3.22Å; T128-E130 PolarHBondContact OG1-O 3.38Å; E130-P156 HydrophobicContact CB-CB 3.72Å; E130-P156 HydrophobicContact CB-CG 4.44Å; E130-P156 HydrophobicContact CG-CB 4.18Å; E130-L159 HydrophobicContact CG-CD1 4Å
131F98.2Very high97.7Very high66 Ų6638.9 Ų38.929%0.28920%0.199SC..  trans-88.3150.9168.2-71.1-79.6000110.7E97 Y98 V121 F124 A125 W133 P156E97-F131 HydrophobicContact CB-CD1 3.94Å; E97-F131 HydrophobicContact CB-CD2 4.41Å; E97-F131 HydrophobicContact CB-CE1 4.23Å; E97-F131 HydrophobicContact CB-CG 4.03Å; E97-F131 HydrophobicContact CG-CD1 3.77Å; E97-F131 HydrophobicContact CG-CD2 4.1Å; E97-F131 HydrophobicContact CG-CE1 3.54Å; E97-F131 HydrophobicContact CG-CE2 3.89Å; E97-F131 HydrophobicContact CG-CG 4.04Å; E97-F131 HydrophobicContact CG-CZ 3.6Å; Y98-F131 HydrophobicContact CD1-CE1 4.27Å; Y98-F131 HydrophobicContact CD2-CE1 4.14Å; Y98-F131 HydrophobicContact CD2-CZ 4.49Å; Y98-F131 AromaticContact CE1-CE1 3.76Å; Y98-F131 HydrophobicContact CE1-CE1 3.76Å; Y98-F131 HydrophobicContact CE1-CZ 4.32Å; Y98-F131 AromaticContact CE2-CE1 3.61Å; Y98-F131 HydrophobicContact CE2-CE1 3.61Å; Y98-F131 AromaticContact CE2-CZ 3.62Å; Y98-F131 HydrophobicContact CE2-CZ 3.62Å; Y98-F131 HydrophobicContact CG-CE1 4.45Å; Y98-F131 AromaticContact CZ-CE1 3.42Å; Y98-F131 VanDerWaalsContact CZ-CE1 3.42Å; Y98-F131 AromaticContact CZ-CZ 3.53Å; Y98-F131 WeakPolarHBondContact OH-CZ 3.39Å; V121-F131 HydrophobicContact CG1-CD1 3.74Å; V121-F131 HydrophobicContact CG1-CE1 4.11Å; F124-F131 VanDerWaalsContact CE1-C 3.5Å; A125-F131 HydrophobicContact CB-CE1 4.32Å; F131-W133 WeakPolarHBondContact CB-O 3.34Å; F131-W133 PolarHBondContact O-N 3.48Å; F131-P156 WeakPolarHBondContact O-CG 3.44Å
132P98Very high97.6Very high0 Ų040.5 Ų40.50%021%0.208CC..SBendtrans-66.3-23.6177.128-33.8000112.4V121 F124 N142 F157V121-P132 HydrophobicContact CG1-CG 4.39Å; V121-P132 HydrophobicContact CG2-CG 4.4Å; F124-P132 HydrophobicContact CB-CG 4.49Å; F124-P132 HydrophobicContact CD1-CB 3.96Å; F124-P132 VanDerWaalsContact CD1-CD 3.49Å; F124-P132 HydrophobicContact CD1-CG 4.2Å; F124-P132 HydrophobicContact CD2-CB 3.97Å; F124-P132 HydrophobicContact CE1-CB 3.99Å; F124-P132 HydrophobicContact CE2-CB 3.99Å; F124-P132 HydrophobicContact CG-CB 3.96Å; F124-P132 HydrophobicContact CG-CG 4.18Å; F124-P132 HydrophobicContact CZ-CB 3.99Å; P132-N142 VanDerWaalsContact O-CB 3.24Å; P132-N142 WeakPolarHBondContact O-CB 3.47Å; P132-F157 HydrophobicContact CB-CE1 3.84Å; P132-F157 HydrophobicContact CB-CZ 4.22Å; P132-F157 WeakPolarHBondContact O-CZ 3.41Å
133W97.8Very high97.5Very high4 Ų441.2 Ų41.22%0.01521%0.211CC..  trans-162.9162.7-179.837.669.3000109.8F117 V121 F131 C140 N142 Y143 F146 F157 L172F117-W133 AromaticContact CE1-CZ2 3.86Å; F117-W133 HydrophobicContact CE1-CZ2 3.86Å; F117-W133 HydrophobicContact CE2-CZ2 4.17Å; F117-W133 HydrophobicContact CZ-CH2 4.07Å; F117-W133 AromaticContact CZ-CZ2 3.31Å; F117-W133 HydrophobicContact CZ-CZ2 3.31Å; V121-W133 HydrophobicContact CG2-CZ2 4.48Å; F131-W133 WeakPolarHBondContact CB-O 3.34Å; F131-W133 PolarHBondContact O-N 3.48Å; W133-C140 WeakPolarHBondContact CB-SG 3.45Å; W133-N142 HydrophobicContact CB-CB 4.17Å; W133-Y143 AromaticContact CD2-CD2 3.87Å; W133-Y143 HydrophobicContact CD2-CD2 3.87Å; W133-Y143 HydrophobicContact CD2-CG 4.43Å; W133-Y143 AromaticContact CE2-CD2 3.99Å; W133-Y143 AromaticContact CE3-CD2 3.87Å; W133-Y143 HydrophobicContact CE3-CD2 3.87Å; W133-Y143 HydrophobicContact CE3-CG 4.39Å; W133-Y143 HydrophobicContact CH2-CD2 4.12Å; W133-Y143 HydrophobicContact CZ2-CD2 4.16Å; W133-Y143 AromaticContact CZ3-CD2 3.99Å; W133-Y143 HydrophobicContact CZ3-CD2 3.99Å; W133-F146 HydrophobicContact CH2-CD1 4.3Å; W133-F146 HydrophobicContact CH2-CG 4.33Å; W133-F146 HydrophobicContact CZ3-CB 3.9Å; W133-F146 HydrophobicContact CZ3-CD1 4.14Å; W133-F146 AromaticContact CZ3-CD2 3.96Å; W133-F146 HydrophobicContact CZ3-CD2 3.96Å; W133-F146 AromaticContact CZ3-CG 3.73Å; W133-F146 HydrophobicContact CZ3-CG 3.73Å; W133-F157 HydrophobicContact CE3-CE1 4.48Å; W133-F157 HydrophobicContact CE3-CZ 4.12Å; W133-F157 HydrophobicContact CZ3-CE1 4.22Å; W133-F157 HydrophobicContact CZ3-CZ 4.23Å; W133-L172 HydrophobicContact CH2-CB 4.06Å; W133-L172 HydrophobicContact CH2-CD1 3.98Å; W133-L172 HydrophobicContact CH2-CD2 4.34Å; W133-L172 HydrophobicContact CH2-CG 4.36Å; W133-L172 HydrophobicContact CZ2-CD1 4.46Å; W133-L172 HydrophobicContact CZ2-CD2 4.19Å
134E97.4Very high97.4Very high127 Ų12745.7 Ų45.759%0.59324%0.235SC*.SBendtrans-72.8-36.1170.4-57.179.9-174.900111.4C140E134-C140 PolarHBondContact OE2-SG 3.26Å
135I97.9Very high97.3Very high53 Ų5348.2 Ų48.227%0.27225%0.252SS..  trans-150.9137.9179.4-170174.6000110.1F104 Q137 C140F104-I135 HydrophobicContact CD1-CD1 4.23Å; F104-I135 HydrophobicContact CE1-CD1 3.73Å; F104-I135 HydrophobicContact CE1-CG1 3.77Å; F104-I135 HydrophobicContact CE2-CG1 4.43Å; F104-I135 HydrophobicContact CZ-CD1 4.16Å; F104-I135 HydrophobicContact CZ-CG1 3.66Å; I135-Q137 HydrophobicContact CD1-CB 4.25Å; I135-Q137 HydrophobicContact CD1-CG 3.73Å; I135-Q137 HydrophobicContact CG1-CB 4.18Å; I135-Q137 HydrophobicContact CG1-CG 3.79Å; I135-Q137 HydrophobicContact CG2-CB 4.38Å; I135-Q137 PolarHBondContact O-N 2.96Å; I135-C140 HydrophobicContact CG2-CB 3.86Å; I135-C140 WeakPolarHBondContact O-CB 3.41Å
136A98Very high97.2Very high0 Ų048.7 Ų48.70%025%0.254CS..SBendtrans-79.855177.300000111.8M99 P101 F104 F117 Y143M99-A136 WeakPolarHBondContact O-CB 3.44Å; P101-A136 HydrophobicContact CB-CB 4.39Å; P101-A136 WeakPolarHBondContact CB-O 3.48Å; F104-A136 HydrophobicContact CE2-CB 4.27Å; F117-A136 HydrophobicContact CE1-CB 4.16Å; F117-A136 HydrophobicContact CZ-CB 3.97Å; A136-Y143 HydrophobicContact CB-CD2 3.82Å; A136-Y143 HydrophobicContact CB-CE2 3.78Å; A136-Y143 HydrophobicContact CB-CG 4.47Å
137Q97.3Very high96.9Very high45 Ų4552.2 Ų52.221%0.2129%0.29CS..SBendtrans-132.6155.1179.9-66.1-66.2-76.800111.1P101 F104 I135 E139 C140 Y143P101-Q137 PolarHBondContact O-NE2 3.24Å; P101-Q137 VanDerWaalsContact O-NE2 3.17Å; F104-Q137 HydrophobicContact CD1-CG 4.45Å; F104-Q137 HydrophobicContact CD2-CG 4.08Å; F104-Q137 HydrophobicContact CE2-CG 4.35Å; F104-Q137 HydrophobicContact CG-CG 4.12Å; I135-Q137 HydrophobicContact CD1-CB 4.25Å; I135-Q137 HydrophobicContact CD1-CG 3.73Å; I135-Q137 HydrophobicContact CG1-CB 4.18Å; I135-Q137 HydrophobicContact CG1-CG 3.79Å; I135-Q137 HydrophobicContact CG2-CB 4.38Å; I135-Q137 PolarHBondContact O-N 2.96Å; Q137-E139 WeakPolarHBondContact CB-OE2 3.21Å; Q137-E139 PolarHBondContact O-N 2.9Å; Q137-C140 PolarHBondContact O-N 3.45Å; Q137-Y143 VanDerWaalsContact C-CD1 3.41Å; Q137-Y143 VanDerWaalsContact O-CD1 3.25Å; Q137-Y143 WeakPolarHBondContact O-CD1 3.47Å
138P95.6Very high96.7Very high77 Ų7754.3 Ų54.350%0.531%0.306SS..THydrogen-bonded Turntrans-57.1-23.9-171.5-2636.2000115.6C140P138-C140 VanDerWaalsContact C-N 3.26Å; P138-C140 PolarHBondContact O-N 3.15Å
139E95.6Very high96.4Very high153 Ų15359.3 Ų59.372%0.71534%0.337SS*.THydrogen-bonded Turntrans-72.5-20.4179-54.573.8-158.500112.3Q137Q137-E139 WeakPolarHBondContact CB-OE2 3.21Å; Q137-E139 PolarHBondContact O-N 2.9Å
140C97.4Very high96.3Very high9 Ų962.3 Ų62.36%0.06135%0.349CS..SBendtrans-82117.7173.9174.40000110.2W133 E134 I135 Q137 P138 N142 Y143 N144W133-C140 WeakPolarHBondContact CB-SG 3.45Å; E134-C140 PolarHBondContact OE2-SG 3.26Å; I135-C140 HydrophobicContact CG2-CB 3.86Å; I135-C140 WeakPolarHBondContact O-CB 3.41Å; Q137-C140 PolarHBondContact O-N 3.45Å; P138-C140 VanDerWaalsContact C-N 3.26Å; P138-C140 PolarHBondContact O-N 3.15Å; C140-N142 VanDerWaalsContact C-N 3.3Å; C140-N142 PolarHBondContact O-N 3.43Å; C140-Y143 PolarHBondContact O-N 2.89Å; C140-N144 WeakPolarHBondContact O-CB 3.18Å; C140-N144 PolarHBondContact O-N 3.44Å
141N96.6Very high96.2Very high128 Ų12857.9 Ų57.968%0.68433%0.329SS*.Hα-helixtrans-56-41.7-178.9-72.7-23.9000113.2N144 S145N141-N144 PolarHBondContact O-N 2.99Å; N141-S145 VanDerWaalsContact O-CB 3.27Å; N141-S145 WeakPolarHBondContact O-CB 3.43Å; N141-S145 PolarHBondContact O-N 3.35Å; N141-S145 PolarHBondContact O-OG 2.85Å
142N96.9Very high96.1Very high35 Ų3556.3 Ų56.319%0.18732%0.321CS..Hα-helixtrans-65.8-44.4179.8-76.6-15.5000111.5P132 W133 C140 F146 F157P132-N142 VanDerWaalsContact O-CB 3.24Å; P132-N142 WeakPolarHBondContact O-CB 3.47Å; W133-N142 HydrophobicContact CB-CB 4.17Å; C140-N142 VanDerWaalsContact C-N 3.3Å; C140-N142 PolarHBondContact O-N 3.43Å; N142-F146 PolarHBondContact O-N 3.43Å; N142-F146 VanDerWaalsContact O-N 3.1Å; N142-F157 HydrophobicContact CB-CE2 3.86Å; N142-F157 HydrophobicContact CB-CZ 4.11Å
143Y98Very high96Very high15 Ų1564.7 Ų64.76%0.05935%0.354CS..Hα-helixtrans-66-43.6175.4178.6-100.6000111.6P101 F117 W133 A136 Q137 C140 S145 F146 K174P101-Y143 HydrophobicContact CB-CE2 4.45Å; P101-Y143 WeakPolarHBondContact CB-OH 3.33Å; P101-Y143 VanDerWaalsContact CG-OH 3.31Å; P101-Y143 WeakPolarHBondContact CG-OH 3.36Å; F117-Y143 HydrophobicContact CZ-CE2 4.39Å; W133-Y143 AromaticContact CD2-CD2 3.87Å; W133-Y143 HydrophobicContact CD2-CD2 3.87Å; W133-Y143 HydrophobicContact CD2-CG 4.43Å; W133-Y143 AromaticContact CE2-CD2 3.99Å; W133-Y143 AromaticContact CE3-CD2 3.87Å; W133-Y143 HydrophobicContact CE3-CD2 3.87Å; W133-Y143 HydrophobicContact CE3-CG 4.39Å; W133-Y143 HydrophobicContact CH2-CD2 4.12Å; W133-Y143 HydrophobicContact CZ2-CD2 4.16Å; W133-Y143 AromaticContact CZ3-CD2 3.99Å; W133-Y143 HydrophobicContact CZ3-CD2 3.99Å; A136-Y143 HydrophobicContact CB-CD2 3.82Å; A136-Y143 HydrophobicContact CB-CE2 3.78Å; A136-Y143 HydrophobicContact CB-CG 4.47Å; Q137-Y143 VanDerWaalsContact C-CD1 3.41Å; Q137-Y143 VanDerWaalsContact O-CD1 3.25Å; Q137-Y143 WeakPolarHBondContact O-CD1 3.47Å; C140-Y143 PolarHBondContact O-N 2.89Å; Y143-S145 VanDerWaalsContact C-N 3.34Å; Y143-S145 PolarHBondContact O-N 3.43Å; Y143-F146 VanDerWaalsContact O-CB 3.32Å; Y143-F146 WeakPolarHBondContact O-CB 3.23Å; Y143-F146 PolarHBondContact O-N 3.2Å; Y143-F146 VanDerWaalsContact O-N 3.16Å; Y143-K174 HydrophobicContact CE1-CD 4.2Å; Y143-K174 HydrophobicContact CE1-CG 4.47Å; Y143-K174 HydrophobicContact CE2-CD 4.48Å; Y143-K174 HydrophobicContact CE2-CG 4Å; Y143-K174 WeakPolarHBondContact O-CE 3.35Å; Y143-K174 PolarHBondContact O-NZ 3.14Å; Y143-K174 WeakPolarHBondContact OH-CB 3.12Å; Y143-K174 WeakPolarHBondContact OH-CG 3.44Å
144N96.2Very high95.9Very high94 Ų9468.1 Ų68.150%0.50337%0.372SS..Hα-helixtrans-61.8-43.2179.6-167.636.1000111.6C140 N141 F146 K174C140-N144 WeakPolarHBondContact O-CB 3.18Å; C140-N144 PolarHBondContact O-N 3.44Å; N141-N144 PolarHBondContact O-N 2.99Å; N144-F146 VanDerWaalsContact C-N 3.27Å; N144-F146 PolarHBondContact O-N 3.16Å; N144-K174 PolarHBondContact O-NZ 3.14Å
145S95.3Very high95.8Very high52 Ų5264 Ų6436%0.36436%0.356SS..Hα-helixtrans-71.1-19.7177.9-54.90000113.6N141 Y143 G147 S148N141-S145 VanDerWaalsContact O-CB 3.27Å; N141-S145 WeakPolarHBondContact O-CB 3.43Å; N141-S145 PolarHBondContact O-N 3.35Å; N141-S145 PolarHBondContact O-OG 2.85Å; Y143-S145 VanDerWaalsContact C-N 3.34Å; Y143-S145 PolarHBondContact O-N 3.43Å; S145-G147 PolarHBondContact O-N 2.93Å; S145-S148 WeakPolarHBondContact O-CB 3.28Å; S145-S148 PolarHBondContact O-N 3.15Å; S145-S148 VanDerWaalsContact O-N 3.1Å
146F96.3Very high95.7Very high12 Ų1261.9 Ų61.95%0.05335%0.347CS..THydrogen-bonded Turntrans-62.8125.2178.4-164.3-103000111.3W133 N142 Y143 N144 V151 W152 F157 L172 K174W133-F146 HydrophobicContact CH2-CD1 4.3Å; W133-F146 HydrophobicContact CH2-CG 4.33Å; W133-F146 HydrophobicContact CZ3-CB 3.9Å; W133-F146 HydrophobicContact CZ3-CD1 4.14Å; W133-F146 AromaticContact CZ3-CD2 3.96Å; W133-F146 HydrophobicContact CZ3-CD2 3.96Å; W133-F146 AromaticContact CZ3-CG 3.73Å; W133-F146 HydrophobicContact CZ3-CG 3.73Å; N142-F146 PolarHBondContact O-N 3.43Å; N142-F146 VanDerWaalsContact O-N 3.1Å; Y143-F146 VanDerWaalsContact O-CB 3.32Å; Y143-F146 WeakPolarHBondContact O-CB 3.23Å; Y143-F146 PolarHBondContact O-N 3.2Å; Y143-F146 VanDerWaalsContact O-N 3.16Å; N144-F146 VanDerWaalsContact C-N 3.27Å; N144-F146 PolarHBondContact O-N 3.16Å; F146-V151 HydrophobicContact CD2-CG1 4.26Å; F146-W152 AromaticContact CE2-CH2 3.7Å; F146-W152 HydrophobicContact CE2-CH2 3.7Å; F146-W152 AromaticContact CE2-CZ2 3.88Å; F146-W152 HydrophobicContact CE2-CZ2 3.88Å; F146-W152 HydrophobicContact CE2-CZ3 4.46Å; F146-W152 HydrophobicContact CZ-CH2 4.1Å; F146-W152 HydrophobicContact CZ-CZ2 4.19Å; F146-F157 AromaticContact CD2-CD1 4Å; F146-F157 HydrophobicContact CD2-CD1 4Å; F146-F157 AromaticContact CD2-CE1 3.39Å; F146-F157 HydrophobicContact CD2-CE1 3.39Å; F146-F157 AromaticContact CD2-CZ 3.94Å; F146-F157 HydrophobicContact CD2-CZ 3.94Å; F146-F157 HydrophobicContact CE2-CD1 4.05Å; F146-F157 AromaticContact CE2-CE1 3.73Å; F146-F157 HydrophobicContact CE2-CE1 3.73Å; F146-F157 HydrophobicContact CG-CE1 4.47Å; F146-L172 HydrophobicContact CD1-CB 4.49Å; F146-L172 HydrophobicContact CE1-CB 3.56Å; F146-L172 WeakPolarHBondContact CE1-O 3.49Å; F146-L172 HydrophobicContact CZ-CB 3.75Å; F146-L172 HydrophobicContact CZ-CD1 4.12Å; F146-K174 WeakPolarHBondContact O-CE 3.01Å; F146-K174 PolarHBondContact O-NZ 2.98Å
147G92.2Very high95.7Very high76 Ų7661.9 Ų61.978%0.78435%0.347SS*.THydrogen-bonded Turntrans115.3-22.6-170.300000113.1S145S145-G147 PolarHBondContact O-N 2.93Å
148S94.3Very high95.7Very high53 Ų5360.8 Ų60.837%0.37134%0.344SS..SBendtrans-74.8146.9166.9176.30000111S145 D150 V151S145-S148 WeakPolarHBondContact O-CB 3.28Å; S145-S148 PolarHBondContact O-N 3.15Å; S145-S148 VanDerWaalsContact O-N 3.1Å; S148-D150 PolarHBondContact O-N 2.74Å; S148-D150 PolarHBondContact OG-N 3.5Å; S148-V151 WeakPolarHBondContact O-CG1 3.39Å; S148-V151 PolarHBondContact O-N 2.69Å
149T91.2Very high95.8Very high106 Ų10657.8 Ų57.865%0.6532%0.324SS*.G310 helixtrans-61.8-31.4171.245.90000112.2V151T149-V151 PolarHBondContact O-N 3.04Å
150D94Very high95.8Very high108 Ų10850.6 Ų50.658%0.57829%0.29SS*.G310 helixtrans-74.2-19.8-173.9-61.4-21.9000112.4S148 W152 Y153S148-D150 PolarHBondContact O-N 2.74Å; S148-D150 PolarHBondContact OG-N 3.5Å; D150-W152 PolarHBondContact O-N 3.01Å; D150-Y153 PolarHBondContact O-N 3.32Å
151V95.9Very high95.7Very high2 Ų250.7 Ų50.71%0.01229%0.291CS..G310 helixtrans-55.3-33.2-179.883.90000111.2F146 S148 T149 Y153 I154 F157F146-V151 HydrophobicContact CD2-CG1 4.26Å; S148-V151 WeakPolarHBondContact O-CG1 3.39Å; S148-V151 PolarHBondContact O-N 2.69Å; T149-V151 PolarHBondContact O-N 3.04Å; V151-Y153 PolarHBondContact O-N 3.45Å; V151-Y153 VanDerWaalsContact O-N 3.15Å; V151-I154 HydrophobicContact CG2-CD1 4.22Å; V151-I154 HydrophobicContact CG2-CG1 4.38Å; V151-I154 WeakPolarHBondContact O-CG1 3.42Å; V151-I154 PolarHBondContact O-N 3.26Å; V151-F157 HydrophobicContact CG2-CD1 4.4Å; V151-F157 HydrophobicContact CG2-CD2 3.53Å; V151-F157 HydrophobicContact CG2-CE1 4.46Å; V151-F157 HydrophobicContact CG2-CE2 3.55Å; V151-F157 HydrophobicContact CG2-CG 3.97Å; V151-F157 HydrophobicContact CG2-CZ 4.05Å; V151-F157 VanDerWaalsContact O-CB 3.22Å; V151-F157 WeakPolarHBondContact O-CB 3.22Å
152W97Very high95.6Very high33 Ų3352.9 Ų52.913%0.12529%0.29CS..G310 helixtrans-75-2.2-176.3-57.7110.7000115.1F146 D150 F157 S158 T160 R165 L168F146-W152 AromaticContact CE2-CH2 3.7Å; F146-W152 HydrophobicContact CE2-CH2 3.7Å; F146-W152 AromaticContact CE2-CZ2 3.88Å; F146-W152 HydrophobicContact CE2-CZ2 3.88Å; F146-W152 HydrophobicContact CE2-CZ3 4.46Å; F146-W152 HydrophobicContact CZ-CH2 4.1Å; F146-W152 HydrophobicContact CZ-CZ2 4.19Å; D150-W152 PolarHBondContact O-N 3.01Å; W152-F157 HydrophobicContact CE3-CB 3.93Å; W152-F157 HydrophobicContact CE3-CD1 4.5Å; W152-F157 HydrophobicContact CZ3-CB 4.36Å; W152-F157 HydrophobicContact CZ3-CD1 4.21Å; W152-S158 WeakPolarHBondContact O-CA 3.34Å; W152-T160 HydrophobicContact CZ3-CG2 4.4Å; W152-R165 HydrophobicContact CD2-CB 3.99Å; W152-R165 HydrophobicContact CD2-CG 3.87Å; W152-R165 HydrophobicContact CE3-CB 4.01Å; W152-R165 HydrophobicContact CE3-CG 3.55Å; W152-R165 HydrophobicContact CG-CG 4.49Å; W152-R165 HydrophobicContact CH2-CB 4.08Å; W152-R165 HydrophobicContact CH2-CG 4.36Å; W152-R165 HydrophobicContact CZ2-CB 4.07Å; W152-R165 WeakPolarHBondContact CZ2-O 3.42Å; W152-R165 HydrophobicContact CZ3-CB 4.05Å; W152-R165 HydrophobicContact CZ3-CG 3.82Å; W152-R165 PolarHBondContact O-NH1 3.49Å; W152-R165 PolarHBondContact O-NH2 3.33Å; W152-L168 HydrophobicContact CH2-CB 3.87Å; W152-L168 HydrophobicContact CH2-CD1 4.46Å; W152-L168 HydrophobicContact CZ3-CD1 4.34Å
153Y95.8Very high95.4Very high176 Ų17656.2 Ų56.269%0.6930%0.303SS*.G310 helixtrans-104.5-9.6175.5-58.5-83.3000112.8D150 V151D150-Y153 PolarHBondContact O-N 3.32Å; V151-Y153 PolarHBondContact O-N 3.45Å; V151-Y153 VanDerWaalsContact O-N 3.15Å
154I94.8Very high95.3Very high77 Ų7755.5 Ų55.540%0.39530%0.3SS..SBendtrans-102.2151.8176.758.9167.1000111.7V151 F157 S158V151-I154 HydrophobicContact CG2-CD1 4.22Å; V151-I154 HydrophobicContact CG2-CG1 4.38Å; V151-I154 WeakPolarHBondContact O-CG1 3.42Å; V151-I154 PolarHBondContact O-N 3.26Å; I154-F157 HydrophobicContact CG1-CD2 4.32Å; I154-F157 CarbonylContact O-C 3.56Å; I154-F157 PolarHBondContact O-N 3.45Å; I154-F157 VanDerWaalsContact O-N 3.09Å; I154-S158 WeakPolarHBondContact O-CB 3.31Å; I154-S158 PolarHBondContact O-N 3.05Å
155S95.5Very high95.2Very high39 Ų3952.2 Ų52.227%0.27328%0.281SS..THydrogen-bonded Turntrans-68.1144.3173.9-159.70000110.3H212S155-H212 VanDerWaalsContact CB-CE1 3.43Å; S155-H212 WeakPolarHBondContact CB-CE1 3.38Å; S155-H212 PolarHBondContact OG-CE1 3.22Å; S155-H212 VanDerWaalsContact OG-CE1 3.24Å; S155-H212 PolarHBondContact OG-NE2 2.92Å
156P97Very high95.3Very high10 Ų1056 Ų567%0.06529%0.293CS..THydrogen-bonded Turncis-86.2-9.1-0.228.1-24000113.9F124 E130 F131 S158 L159F124-P156 HydrophobicContact CE1-CB 3.99Å; F124-P156 HydrophobicContact CE1-CG 3.97Å; F124-P156 HydrophobicContact CZ-CB 3.91Å; F124-P156 HydrophobicContact CZ-CG 3.85Å; E130-P156 HydrophobicContact CB-CB 3.72Å; E130-P156 HydrophobicContact CB-CG 4.44Å; E130-P156 HydrophobicContact CG-CB 4.18Å; F131-P156 WeakPolarHBondContact O-CG 3.44Å; P156-S158 PolarHBondContact O-N 2.82Å; P156-L159 HydrophobicContact CB-CD1 4.49Å; P156-L159 VanDerWaalsContact O-CB 3.25Å; P156-L159 WeakPolarHBondContact O-CB 3.41Å; P156-L159 WeakPolarHBondContact O-CG 3.31Å; P156-L159 PolarHBondContact O-N 2.9Å
157F97.8Very high95.3Very high0 Ų055.4 Ų55.40%029%0.29CS..G310 helixtrans-60.2-30.5-175.6-53.8-82.7000113.7F124 P132 W133 N142 F146 V151 W152 I154 L159 T160F124-F157 AromaticContact CE2-CD1 3.61Å; F124-F157 HydrophobicContact CE2-CD1 3.61Å; F124-F157 HydrophobicContact CE2-CE1 4.07Å; F124-F157 HydrophobicContact CE2-CG 4.35Å; F124-F157 HydrophobicContact CZ-CD1 4.06Å; F124-F157 HydrophobicContact CZ-CE1 4.43Å; F124-F157 HydrophobicContact CZ-CG 4.49Å; P132-F157 HydrophobicContact CB-CE1 3.84Å; P132-F157 HydrophobicContact CB-CZ 4.22Å; P132-F157 WeakPolarHBondContact O-CZ 3.41Å; W133-F157 HydrophobicContact CE3-CE1 4.48Å; W133-F157 HydrophobicContact CE3-CZ 4.12Å; W133-F157 HydrophobicContact CZ3-CE1 4.22Å; W133-F157 HydrophobicContact CZ3-CZ 4.23Å; N142-F157 HydrophobicContact CB-CE2 3.86Å; N142-F157 HydrophobicContact CB-CZ 4.11Å; F146-F157 AromaticContact CD2-CD1 4Å; F146-F157 HydrophobicContact CD2-CD1 4Å; F146-F157 AromaticContact CD2-CE1 3.39Å; F146-F157 HydrophobicContact CD2-CE1 3.39Å; F146-F157 AromaticContact CD2-CZ 3.94Å; F146-F157 HydrophobicContact CD2-CZ 3.94Å; F146-F157 HydrophobicContact CE2-CD1 4.05Å; F146-F157 AromaticContact CE2-CE1 3.73Å; F146-F157 HydrophobicContact CE2-CE1 3.73Å; F146-F157 HydrophobicContact CG-CE1 4.47Å; V151-F157 HydrophobicContact CG2-CD1 4.4Å; V151-F157 HydrophobicContact CG2-CD2 3.53Å; V151-F157 HydrophobicContact CG2-CE1 4.46Å; V151-F157 HydrophobicContact CG2-CE2 3.55Å; V151-F157 HydrophobicContact CG2-CG 3.97Å; V151-F157 HydrophobicContact CG2-CZ 4.05Å; V151-F157 VanDerWaalsContact O-CB 3.22Å; V151-F157 WeakPolarHBondContact O-CB 3.22Å; W152-F157 HydrophobicContact CE3-CB 3.93Å; W152-F157 HydrophobicContact CE3-CD1 4.5Å; W152-F157 HydrophobicContact CZ3-CB 4.36Å; W152-F157 HydrophobicContact CZ3-CD1 4.21Å; I154-F157 HydrophobicContact CG1-CD2 4.32Å; I154-F157 CarbonylContact O-C 3.56Å; I154-F157 PolarHBondContact O-N 3.45Å; I154-F157 VanDerWaalsContact O-N 3.09Å; F157-L159 PolarHBondContact O-N 3.3Å; F157-T160 WeakPolarHBondContact O-CB 3.46Å; F157-T160 PolarHBondContact O-N 3.03Å; F157-T160 PolarHBondContact O-OG1 2.9Å
158S96.8Very high95.6Very high22 Ų2251.8 Ų51.815%0.15425%0.253CS..G310 helixtrans-63.8-19.6177.770.50000114W152 I154 P156 T160 K208W152-S158 WeakPolarHBondContact O-CA 3.34Å; I154-S158 WeakPolarHBondContact O-CB 3.31Å; I154-S158 PolarHBondContact O-N 3.05Å; P156-S158 PolarHBondContact O-N 2.82Å; S158-T160 VanDerWaalsContact C-N 3.34Å; S158-K208 WeakPolarHBondContact O-CD 3.39Å; S158-K208 PolarHBondContact O-NZ 3.39Å
159L96.6Very high95.7Very high14 Ų1451.6 Ų51.67%0.07325%0.251CS..G310 helixtrans-76.2-21.4174-57.3175.8000112.4T128 E130 P156 F157 K208 K209T128-L159 HydrophobicContact CG2-CB 3.8Å; E130-L159 HydrophobicContact CG-CD1 4Å; P156-L159 HydrophobicContact CB-CD1 4.49Å; P156-L159 VanDerWaalsContact O-CB 3.25Å; P156-L159 WeakPolarHBondContact O-CB 3.41Å; P156-L159 WeakPolarHBondContact O-CG 3.31Å; P156-L159 PolarHBondContact O-N 2.9Å; F157-L159 PolarHBondContact O-N 3.3Å; L159-K208 HydrophobicContact CD2-CB 4.31Å; L159-K209 HydrophobicContact CD2-CG 4.41Å
160T96.4Very high96Very high1 Ų149 Ų491%0.00623%0.234CC..SBendtrans-67135.9178.165.20000111.1F124 T128 W152 F157 S158 R165 L168F124-T160 HydrophobicContact CD2-CG2 3.85Å; F124-T160 HydrophobicContact CE2-CG2 3.5Å; F124-T160 HydrophobicContact CZ-CG2 4.18Å; T128-T160 HydrophobicContact CG2-CG2 3.7Å; W152-T160 HydrophobicContact CZ3-CG2 4.4Å; F157-T160 WeakPolarHBondContact O-CB 3.46Å; F157-T160 PolarHBondContact O-N 3.03Å; F157-T160 PolarHBondContact O-OG1 2.9Å; S158-T160 VanDerWaalsContact C-N 3.34Å; T160-R165 PolarHBondContact O-NH2 2.93Å; T160-R165 WeakPolarHBondContact OG1-CG 3.48Å; T160-R165 PolarHBondContact OG1-NE 3.39Å; T160-L168 HydrophobicContact CG2-CD1 3.84Å
161P95.3Very high96.2Very high12 Ų1244 Ų448%0.07821%0.206CC..  trans-60.5140.3171.3-14.224.9000110.8V28 L127 K163 T164 W198 M201V28-P161 HydrophobicContact CG1-CG 3.5Å; V28-P161 VanDerWaalsContact CG1-CG 3.5Å; L127-P161 HydrophobicContact CD2-CG 4.37Å; P161-K163 VanDerWaalsContact C-N 3.26Å; P161-K163 PolarHBondContact O-N 3.23Å; P161-K163 VanDerWaalsContact O-N 3.15Å; P161-T164 HydrophobicContact CB-CG2 4.08Å; P161-T164 HydrophobicContact CG-CG2 4.04Å; P161-T164 PolarHBondContact O-N 2.99Å; P161-T164 PolarHBondContact O-OG1 2.92Å; P161-W198 HydrophobicContact CB-CH2 4.47Å; P161-W198 HydrophobicContact CB-CZ2 4.07Å; P161-W198 HydrophobicContact CG-CZ2 3.9Å; P161-M201 HydrophobicContact CB-CE 3.54Å
162Y94.1Very high96.3Very high174 Ų17443.9 Ų43.968%0.68221%0.206SC*.G310 helixtrans-53.1-43.5-174.4176.7-99.4000113T164 R165Y162-T164 PolarHBondContact O-N 2.95Å; Y162-T164 VanDerWaalsContact O-N 3.16Å; Y162-R165 WeakPolarHBondContact O-CB 3.45Å; Y162-R165 WeakPolarHBondContact O-CG 3.05Å; Y162-R165 PolarHBondContact O-N 2.96Å
163K93.1Very high96.4Very high104 Ų10445.6 Ų45.645%0.45222%0.215SC..G310 helixtrans-61.8-21.4-179.7-66.8-172.9174.4-172.20114.5P161 L190 M201P161-K163 VanDerWaalsContact C-N 3.26Å; P161-K163 PolarHBondContact O-N 3.23Å; P161-K163 VanDerWaalsContact O-N 3.15Å; K163-L190 HydrophobicContact CB-CD1 4.25Å; K163-M201 HydrophobicContact CB-CE 3.98Å; K163-M201 HydrophobicContact CD-CE 3.99Å; K163-M201 HydrophobicContact CD-SD 4.08Å; K163-M201 HydrophobicContact CG-CE 3.83Å
164T95.1Very high96.4Very high0 Ų040.3 Ų40.30%020%0.196CC..G310 helixtrans-88.4-15-178.370.90000112.8I32 L127 P161 Y162 Q166 L167 L168 L190 W198I32-T164 HydrophobicContact CD1-CG2 4.13Å; L127-T164 HydrophobicContact CD1-CG2 3.88Å; L127-T164 HydrophobicContact CD2-CG2 4.25Å; P161-T164 HydrophobicContact CB-CG2 4.08Å; P161-T164 HydrophobicContact CG-CG2 4.04Å; P161-T164 PolarHBondContact O-N 2.99Å; P161-T164 PolarHBondContact O-OG1 2.92Å; Y162-T164 PolarHBondContact O-N 2.95Å; Y162-T164 VanDerWaalsContact O-N 3.16Å; T164-Q166 PolarHBondContact O-N 3.09Å; T164-L167 PolarHBondContact O-N 3.33Å; T164-L168 WeakPolarHBondContact O-CB 3.43Å; T164-L168 WeakPolarHBondContact O-CG 3.44Å; T164-L168 PolarHBondContact O-N 3.33Å; T164-L190 HydrophobicContact CG2-CD1 4.12Å; T164-L190 HydrophobicContact CG2-CD2 4.03Å; T164-W198 HydrophobicContact CG2-CH2 3.75Å; T164-W198 HydrophobicContact CG2-CZ2 4.35Å
165R96Very high96.5Very high26 Ų2639.9 Ų39.910%0.09820%0.197CC..Hα-helixtrans-66.6-37.6-167.9-64.2177.7177.9-170.1-11.7113.1W152 T160 Y162 L168 S169W152-R165 HydrophobicContact CD2-CB 3.99Å; W152-R165 HydrophobicContact CD2-CG 3.87Å; W152-R165 HydrophobicContact CE3-CB 4.01Å; W152-R165 HydrophobicContact CE3-CG 3.55Å; W152-R165 HydrophobicContact CG-CG 4.49Å; W152-R165 HydrophobicContact CH2-CB 4.08Å; W152-R165 HydrophobicContact CH2-CG 4.36Å; W152-R165 HydrophobicContact CZ2-CB 4.07Å; W152-R165 WeakPolarHBondContact CZ2-O 3.42Å; W152-R165 HydrophobicContact CZ3-CB 4.05Å; W152-R165 HydrophobicContact CZ3-CG 3.82Å; W152-R165 PolarHBondContact O-NH1 3.49Å; W152-R165 PolarHBondContact O-NH2 3.33Å; T160-R165 PolarHBondContact O-NH2 2.93Å; T160-R165 WeakPolarHBondContact OG1-CG 3.48Å; T160-R165 PolarHBondContact OG1-NE 3.39Å; Y162-R165 WeakPolarHBondContact O-CB 3.45Å; Y162-R165 WeakPolarHBondContact O-CG 3.05Å; Y162-R165 PolarHBondContact O-N 2.96Å; R165-L168 PolarHBondContact O-N 2.88Å; R165-S169 PolarHBondContact O-N 3.34Å
166Q95.5Very high96.6Very high130 Ų13040 Ų4061%0.60720%0.197SC*.Hα-helixtrans-64.7-47.6177-178.9177.7-1.900111.3T164 L168 S169 L170T164-Q166 PolarHBondContact O-N 3.09Å; Q166-L168 VanDerWaalsContact C-N 3.31Å; Q166-L168 PolarHBondContact O-N 3Å; Q166-S169 PolarHBondContact O-N 3.17Å; Q166-S169 PolarHBondContact O-OG 2.96Å; Q166-L170 HydrophobicContact CG-CD1 4.36Å; Q166-L170 WeakPolarHBondContact O-CG 3.41Å; Q166-L170 PolarHBondContact O-N 3.5Å; Q166-L170 VanDerWaalsContact O-N 3.15Å
167L96.7Very high96.6Very high1 Ų145 Ų451%0.00523%0.227CC..Hα-helixtrans-63.2-42.3177.7-176.958.9000111F35 L123 T164 S169 L170 I171 V185 D188 L190 L191F35-L167 HydrophobicContact CE1-CD2 4.38Å; L123-L167 HydrophobicContact CD2-CD2 4.48Å; T164-L167 PolarHBondContact O-N 3.33Å; L167-S169 VanDerWaalsContact C-N 3.34Å; L167-S169 PolarHBondContact O-N 2.8Å; L167-L170 PolarHBondContact O-N 3.39Å; L167-I171 HydrophobicContact CD1-CD1 3.73Å; L167-I171 HydrophobicContact CD1-CG1 3.97Å; L167-I171 HydrophobicContact CD2-CD1 4.18Å; L167-I171 HydrophobicContact CG-CD1 3.61Å; L167-I171 HydrophobicContact CG-CG1 4.24Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.08Å; L167-I171 PolarHBondContact O-N 2.87Å; L167-V185 HydrophobicContact CD1-CG1 4.28Å; L167-D188 HydrophobicContact CD1-CB 3.98Å; L167-D188 HydrophobicContact CD2-CB 4.25Å; L167-L190 HydrophobicContact CB-CD2 4.32Å; L167-L190 HydrophobicContact CD2-CD2 3.76Å; L167-L191 HydrophobicContact CD2-CG 4.49Å
168L98Very high96.6Very high0 Ų048.9 Ų48.90%025%0.253CS..Hα-helixtrans-60.1-40.9175.6-74.1168.4000112.4L123 F124 L127 W152 T160 T164 R165 Q166 L170 I171 L172L123-L168 HydrophobicContact CB-CD2 4.34Å; L123-L168 HydrophobicContact CD2-CD2 3.91Å; L123-L168 HydrophobicContact CD2-CG 4.38Å; L123-L168 HydrophobicContact CG-CD2 4.08Å; F124-L168 HydrophobicContact CB-CD2 4.24Å; F124-L168 HydrophobicContact CD2-CD1 4.25Å; L127-L168 HydrophobicContact CD1-CD1 4.2Å; W152-L168 HydrophobicContact CH2-CB 3.87Å; W152-L168 HydrophobicContact CH2-CD1 4.46Å; W152-L168 HydrophobicContact CZ3-CD1 4.34Å; T160-L168 HydrophobicContact CG2-CD1 3.84Å; T164-L168 WeakPolarHBondContact O-CB 3.43Å; T164-L168 WeakPolarHBondContact O-CG 3.44Å; T164-L168 PolarHBondContact O-N 3.33Å; R165-L168 PolarHBondContact O-N 2.88Å; Q166-L168 VanDerWaalsContact C-N 3.31Å; Q166-L168 PolarHBondContact O-N 3Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 2.78Å; L168-I171 PolarHBondContact O-N 3.09Å; L168-L172 HydrophobicContact CD2-CD1 4.18Å; L168-L172 WeakPolarHBondContact O-CB 3.46Å; L168-L172 WeakPolarHBondContact O-CG 3.25Å; L168-L172 PolarHBondContact O-N 3.06Å
169S97.4Very high96.6Very high48 Ų4848.5 Ų48.534%0.33625%0.248SC..Hα-helixtrans-65.4-35.2177.8700000112.7R165 Q166 L167R165-S169 PolarHBondContact O-N 3.34Å; Q166-S169 PolarHBondContact O-N 3.17Å; Q166-S169 PolarHBondContact O-OG 2.96Å; L167-S169 VanDerWaalsContact C-N 3.34Å; L167-S169 PolarHBondContact O-N 2.8Å
170L97.3Very high96.6Very high53 Ų5348.4 Ų48.428%0.27725%0.248SC..Hα-helixtrans-71.9-43177.6-67.8173.4000112.4Q166 L167 L168 V180 Y184Q166-L170 HydrophobicContact CG-CD1 4.36Å; Q166-L170 WeakPolarHBondContact O-CG 3.41Å; Q166-L170 PolarHBondContact O-N 3.5Å; Q166-L170 VanDerWaalsContact O-N 3.15Å; L167-L170 PolarHBondContact O-N 3.39Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 2.78Å; L170-V180 HydrophobicContact CB-CB 4.04Å; L170-V180 HydrophobicContact CB-CG1 3.91Å; L170-V180 WeakPolarHBondContact O-CG1 3.05Å; L170-V180 PolarHBondContact O-N 3Å; L170-Y184 HydrophobicContact CD1-CE1 3.88Å
171I98.2Very high96.6Very high1 Ų152.3 Ų52.31%0.00527%0.273CS..Hα-helixtrans-73.9-42.6-179.1-63.3174.1000111.3F35 I116 G120 L167 L168 H173 R179 V180 V185F35-I171 HydrophobicContact CE1-CD1 4.21Å; F35-I171 HydrophobicContact CZ-CD1 3.94Å; I116-I171 HydrophobicContact CG2-CG2 3.92Å; I116-I171 WeakPolarHBondContact O-CG2 3.17Å; G120-I171 VanDerWaalsContact CA-CG2 3.42Å; L167-I171 HydrophobicContact CD1-CD1 3.73Å; L167-I171 HydrophobicContact CD1-CG1 3.97Å; L167-I171 HydrophobicContact CD2-CD1 4.18Å; L167-I171 HydrophobicContact CG-CD1 3.61Å; L167-I171 HydrophobicContact CG-CG1 4.24Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.08Å; L167-I171 PolarHBondContact O-N 2.87Å; L168-I171 PolarHBondContact O-N 3.09Å; I171-H173 PolarHBondContact O-N 3.2Å; I171-R179 WeakPolarHBondContact O-CD 3.2Å; I171-R179 WeakPolarHBondContact O-CG 3.32Å; I171-V180 HydrophobicContact CB-CG1 4.48Å; I171-V180 HydrophobicContact CG1-CG1 3.85Å; I171-V185 HydrophobicContact CD1-CG1 3.7Å; I171-V185 HydrophobicContact CD1-CG2 4.07Å; I171-V185 HydrophobicContact CG1-CG1 4.37Å; I171-V185 HydrophobicContact CG1-CG2 3.79Å
172L98.5Very high96.6Very high0 Ų052.5 Ų52.50%027%0.274CS..THydrogen-bonded Turntrans-87.923-176.3-63176.3000113F117 V121 W133 F146 L168 K174F117-L172 HydrophobicContact CD1-CD2 4.31Å; F117-L172 HydrophobicContact CD2-CD2 4.14Å; F117-L172 HydrophobicContact CE1-CD2 4.28Å; F117-L172 HydrophobicContact CE2-CB 4.29Å; F117-L172 HydrophobicContact CE2-CD2 4.11Å; F117-L172 HydrophobicContact CG-CD2 4.27Å; F117-L172 HydrophobicContact CZ-CD2 4.21Å; V121-L172 HydrophobicContact CG2-CD2 3.91Å; W133-L172 HydrophobicContact CH2-CB 4.06Å; W133-L172 HydrophobicContact CH2-CD1 3.98Å; W133-L172 HydrophobicContact CH2-CD2 4.34Å; W133-L172 HydrophobicContact CH2-CG 4.36Å; W133-L172 HydrophobicContact CZ2-CD1 4.46Å; W133-L172 HydrophobicContact CZ2-CD2 4.19Å; F146-L172 HydrophobicContact CD1-CB 4.49Å; F146-L172 HydrophobicContact CE1-CB 3.56Å; F146-L172 WeakPolarHBondContact CE1-O 3.49Å; F146-L172 HydrophobicContact CZ-CB 3.75Å; F146-L172 HydrophobicContact CZ-CD1 4.12Å; L168-L172 HydrophobicContact CD2-CD1 4.18Å; L168-L172 WeakPolarHBondContact O-CB 3.46Å; L168-L172 WeakPolarHBondContact O-CG 3.25Å; L168-L172 PolarHBondContact O-N 3.06Å; L172-K174 PolarHBondContact O-N 3.35Å
173H97.8Very high96.6Very high70 Ų7048.6 Ų48.632%0.32426%0.262SS..  trans-62132.3178.4-163.4-78.8000111.1I171 V175 C178 R179I171-H173 PolarHBondContact O-N 3.2Å; H173-V175 PolarHBondContact ND1-N 3.39Å; H173-V175 VanDerWaalsContact ND1-N 3.14Å; H173-V175 PolarHBondContact ND1-O 3.24Å; H173-V175 VanDerWaalsContact ND1-O 3.14Å; H173-V175 PolarHBondContact O-N 3.45Å; H173-C178 VanDerWaalsContact CE1-CB 3.42Å; H173-C178 WeakPolarHBondContact CE1-CB 2.97Å; H173-R179 HydrophobicContact CB-CB 4.32Å; H173-R179 HydrophobicContact CB-CG 4.39Å; H173-R179 PolarHBondContact O-NE 2.65Å; H173-R179 PolarHBondContact O-NH2 3.19Å
174K97.4Very high96.7Very high64 Ų6449.4 Ų49.428%0.27826%0.263SS..SBendtrans-62.6-41.5-175.4-60.7-175.6174.6167.70112.5P101 Y143 N144 F146 L172P101-K174 WeakPolarHBondContact CG-O 3.17Å; Y143-K174 HydrophobicContact CE1-CD 4.2Å; Y143-K174 HydrophobicContact CE1-CG 4.47Å; Y143-K174 HydrophobicContact CE2-CD 4.48Å; Y143-K174 HydrophobicContact CE2-CG 4Å; Y143-K174 WeakPolarHBondContact O-CE 3.35Å; Y143-K174 PolarHBondContact O-NZ 3.14Å; Y143-K174 WeakPolarHBondContact OH-CB 3.12Å; Y143-K174 WeakPolarHBondContact OH-CG 3.44Å; N144-K174 PolarHBondContact O-NZ 3.14Å; F146-K174 WeakPolarHBondContact O-CE 3.01Å; F146-K174 PolarHBondContact O-NZ 2.98Å; L172-K174 PolarHBondContact O-N 3.35Å
175V96.8Very high96.7Very high68 Ų6849.4 Ų49.441%0.41226%0.263SS..SBendtrans-85.9120.5178.4-175.70000109.8H173 T177 C178 R179H173-V175 PolarHBondContact ND1-N 3.39Å; H173-V175 VanDerWaalsContact ND1-N 3.14Å; H173-V175 PolarHBondContact ND1-O 3.24Å; H173-V175 VanDerWaalsContact ND1-O 3.14Å; H173-V175 PolarHBondContact O-N 3.45Å; V175-T177 VanDerWaalsContact C-N 3.34Å; V175-T177 WeakPolarHBondContact CG1-OG1 3.14Å; V175-T177 PolarHBondContact O-N 3.45Å; V175-C178 HydrophobicContact CB-CB 4.26Å; V175-C178 PolarHBondContact O-N 2.95Å; V175-R179 PolarHBondContact O-N 2.98Å
176P97.3Very high96.5Very high42 Ų4251.8 Ų51.827%0.27327%0.274SS..G310 helixtrans-66.6-30.3-173.424.3-33.8000113.9E102 P113 C178 R179E102-P176 HydrophobicContact CB-CG 4.46Å; E102-P176 HydrophobicContact CG-CB 4.49Å; E102-P176 HydrophobicContact CG-CG 4.45Å; P113-P176 HydrophobicContact CB-CB 3.92Å; P176-C178 VanDerWaalsContact C-N 3.32Å; P176-R179 VanDerWaalsContact O-CB 3.31Å; P176-R179 WeakPolarHBondContact O-CB 3.4Å; P176-R179 PolarHBondContact O-N 3.33Å
177T96.8Very high96.3Very high115 Ų11550.7 Ų50.771%0.70627%0.273SS*.G310 helixtrans-74.6-22.3177.750.70000113.5V175V175-T177 VanDerWaalsContact C-N 3.34Å; V175-T177 WeakPolarHBondContact CG1-OG1 3.14Å; V175-T177 PolarHBondContact O-N 3.45Å
178C97.1Very high96.2Very high81 Ų8151.4 Ų51.455%0.54728%0.276SS..G310 helixtrans-93.1-5.6174-56.10000112H173 V175 P176H173-C178 VanDerWaalsContact CE1-CB 3.42Å; H173-C178 WeakPolarHBondContact CE1-CB 2.97Å; V175-C178 HydrophobicContact CB-CB 4.26Å; V175-C178 PolarHBondContact O-N 2.95Å; P176-C178 VanDerWaalsContact C-N 3.32Å
179R97.7Very high95.8Very high15 Ų1557.6 Ų57.66%0.05731%0.308CS..SBendtrans-71.4135.5178.6-162.7174.9-62.5139.83.7109.3E102 P113 I116 I171 H173 V175 P176E102-R179 IonicContact OE1-CZ 2.95Å; E102-R179 IonicContact OE1-NH1 2.72Å; E102-R179 PolarHBondContact OE1-NH1 3Å; E102-R179 IonicContact OE1-NH2 3.74Å; E102-R179 IonicContact OE2-CZ 3.55Å; E102-R179 IonicContact OE2-NH1 3.65Å; E102-R179 IonicContact OE2-NH2 2.75Å; E102-R179 PolarHBondContact OE2-NH2 3.18Å; P113-R179 WeakPolarHBondContact O-CD 3.45Å; P113-R179 PolarHBondContact O-NH1 2.78Å; I116-R179 HydrophobicContact CG2-CG 4.35Å; I171-R179 WeakPolarHBondContact O-CD 3.2Å; I171-R179 WeakPolarHBondContact O-CG 3.32Å; H173-R179 HydrophobicContact CB-CB 4.32Å; H173-R179 HydrophobicContact CB-CG 4.39Å; H173-R179 PolarHBondContact O-NE 2.65Å; H173-R179 PolarHBondContact O-NH2 3.19Å; V175-R179 PolarHBondContact O-N 2.98Å; P176-R179 VanDerWaalsContact O-CB 3.31Å; P176-R179 WeakPolarHBondContact O-CB 3.4Å; P176-R179 PolarHBondContact O-N 3.33Å
180V97.1Very high95.4Very high12 Ų1255.6 Ų55.67%0.07329%0.294CS..PPolyproline II helixtrans-59.9137.3-176.468.30000111.4L170 I171 Y184 V185L170-V180 HydrophobicContact CB-CB 4.04Å; L170-V180 HydrophobicContact CB-CG1 3.91Å; L170-V180 WeakPolarHBondContact O-CG1 3.05Å; L170-V180 PolarHBondContact O-N 3Å; I171-V180 HydrophobicContact CB-CG1 4.48Å; I171-V180 HydrophobicContact CG1-CG1 3.85Å; V180-Y184 VanDerWaalsContact CG2-CB 3.5Å; V180-Y184 HydrophobicContact CG2-CD1 3.17Å; V180-Y184 HydrophobicContact CG2-CD2 4.31Å; V180-Y184 HydrophobicContact CG2-CE1 3.98Å; V180-Y184 HydrophobicContact CG2-CG 3.39Å; V180-V185 HydrophobicContact CG1-CG2 3.51Å; V180-V185 HydrophobicContact CG2-CG2 4.4Å
181P95.6Very high95Very high82 Ų8253.3 Ų53.353%0.53228%0.281SS..PPolyproline II helixtrans-71.7153.917729.3-34.9000111.1E183 Y184 V185P181-E183 PolarHBondContact O-N 3.4Å; P181-E183 VanDerWaalsContact O-N 3.15Å; P181-Y184 WeakPolarHBondContact O-CB 3.41Å; P181-Y184 PolarHBondContact O-N 2.68Å; P181-V185 PolarHBondContact O-N 3.15Å
182L95.1Very high94.1Very high16 Ų1657.2 Ų57.28%0.08431%0.309CS..Hα-helixtrans-54.6-37.5-177.9-177.566.7000113.4M39 V42 Q43 H46 I116 Y184 V185 K186M39-L182 HydrophobicContact CE-CD1 4.47Å; M39-L182 HydrophobicContact SD-CD1 3.61Å; V42-L182 HydrophobicContact CG1-CD1 4.11Å; V42-L182 HydrophobicContact CG1-CD2 3.91Å; Q43-L182 VanDerWaalsContact CA-CD2 3.45Å; Q43-L182 HydrophobicContact CB-CD2 3.79Å; Q43-L182 HydrophobicContact CG-CD2 4.27Å; H46-L182 HydrophobicContact CB-CD2 4.25Å; I116-L182 HydrophobicContact CD1-CB 4.02Å; I116-L182 HydrophobicContact CG1-CB 4.33Å; L182-Y184 VanDerWaalsContact C-N 3.27Å; L182-Y184 PolarHBondContact O-N 3.3Å; L182-V185 PolarHBondContact O-N 2.9Å; L182-K186 PolarHBondContact O-N 3.11Å
183E93.7Very high92.7Very high92 Ų9260 Ų6043%0.4332%0.324SS..Hα-helixtrans-61.7-37.9179-167.760.5-139.600111.7Q43 P181 N187Q43-E183 PolarHBondContact NE2-OE2 3.15Å; P181-E183 PolarHBondContact O-N 3.4Å; P181-E183 VanDerWaalsContact O-N 3.15Å; E183-N187 PolarHBondContact O-N 2.99Å; E183-N187 PolarHBondContact O-ND2 3.16Å; E183-N187 PolarHBondContact OE1-ND2 3.31Å
184Y95.1Very high90.9Very high121 Ų12159.6 Ų59.648%0.47533%0.329SS..Hα-helixtrans-69.4-44176.1-178-67.1000110.4L170 V180 P181 L182 K186 N187 D188L170-Y184 HydrophobicContact CD1-CE1 3.88Å; V180-Y184 VanDerWaalsContact CG2-CB 3.5Å; V180-Y184 HydrophobicContact CG2-CD1 3.17Å; V180-Y184 HydrophobicContact CG2-CD2 4.31Å; V180-Y184 HydrophobicContact CG2-CE1 3.98Å; V180-Y184 HydrophobicContact CG2-CG 3.39Å; P181-Y184 WeakPolarHBondContact O-CB 3.41Å; P181-Y184 PolarHBondContact O-N 2.68Å; L182-Y184 VanDerWaalsContact C-N 3.27Å; L182-Y184 PolarHBondContact O-N 3.3Å; Y184-K186 VanDerWaalsContact C-N 3.29Å; Y184-K186 PolarHBondContact O-N 3.06Å; Y184-N187 CarbonylContact O-C 3.51Å; Y184-N187 PolarHBondContact O-N 2.93Å; Y184-N187 VanDerWaalsContact O-N 3.14Å; Y184-D188 PolarHBondContact O-N 2.76Å; Y184-D188 VanDerWaalsContact O-N 3.09Å
185V95.6Very high89Confident1 Ų160.7 Ų60.71%0.00634%0.342CS..Hα-helixtrans-55.1-46.6177.7179.30000111.4F35 M39 L167 I171 V180 P181 L182 N187 D188 L191F35-V185 HydrophobicContact CE1-CG1 3.94Å; F35-V185 HydrophobicContact CZ-CG1 4.26Å; M39-V185 HydrophobicContact CG-CG1 4.01Å; M39-V185 HydrophobicContact SD-CB 4.29Å; M39-V185 HydrophobicContact SD-CG1 3.5Å; M39-V185 WeakPolarHBondContact SD-CG1 3.34Å; L167-V185 HydrophobicContact CD1-CG1 4.28Å; I171-V185 HydrophobicContact CD1-CG1 3.7Å; I171-V185 HydrophobicContact CD1-CG2 4.07Å; I171-V185 HydrophobicContact CG1-CG1 4.37Å; I171-V185 HydrophobicContact CG1-CG2 3.79Å; V180-V185 HydrophobicContact CG1-CG2 3.51Å; V180-V185 HydrophobicContact CG2-CG2 4.4Å; P181-V185 PolarHBondContact O-N 3.15Å; L182-V185 PolarHBondContact O-N 2.9Å; V185-N187 VanDerWaalsContact C-N 3.25Å; V185-N187 PolarHBondContact O-N 3.4Å; V185-D188 WeakPolarHBondContact O-CB 3.37Å; V185-D188 PolarHBondContact O-N 3.3Å; V185-L191 HydrophobicContact CG1-CD1 4.48Å; V185-L191 VanDerWaalsContact O-CD1 3.26Å; V185-L191 WeakPolarHBondContact O-CD1 3.49Å
186K92Very high87Confident75 Ų7567.6 Ų67.633%0.32636%0.361SS..Hα-helixtrans-63-32.9-178.1-171.2-174.1172.9-167.80112.9L182 Y184L182-K186 PolarHBondContact O-N 3.11Å; Y184-K186 VanDerWaalsContact C-N 3.29Å; Y184-K186 PolarHBondContact O-N 3.06Å
187N91.6Very high85.1Confident108 Ų10869.7 Ų69.758%0.57837%0.37SS*.THydrogen-bonded Turntrans-95.16.1-178-64.1-52000112.8E183 Y184 V185E183-N187 PolarHBondContact O-N 2.99Å; E183-N187 PolarHBondContact O-ND2 3.16Å; E183-N187 PolarHBondContact OE1-ND2 3.31Å; Y184-N187 CarbonylContact O-C 3.51Å; Y184-N187 PolarHBondContact O-N 2.93Å; Y184-N187 VanDerWaalsContact O-N 3.14Å; V185-N187 VanDerWaalsContact C-N 3.25Å; V185-N187 PolarHBondContact O-N 3.4Å
188D93.6Very high83.4Confident16 Ų1664.8 Ų64.89%0.08634%0.339CS..  trans-61.9141.3176.3-169.9-83.5000111L167 Y184 V185 L190 L191 S192L167-D188 HydrophobicContact CD1-CB 3.98Å; L167-D188 HydrophobicContact CD2-CB 4.25Å; Y184-D188 PolarHBondContact O-N 2.76Å; Y184-D188 VanDerWaalsContact O-N 3.09Å; V185-D188 WeakPolarHBondContact O-CB 3.37Å; V185-D188 PolarHBondContact O-N 3.3Å; D188-L190 PolarHBondContact O-N 3.09Å; D188-L190 VanDerWaalsContact O-N 3.13Å; D188-L190 WeakPolarHBondContact OD1-CB 3.25Å; D188-L190 PolarHBondContact OD1-N 3.29Å; D188-L191 PolarHBondContact O-N 3.41Å; D188-S192 PolarHBondContact O-N 3.38Å
189I90.7Very high81.3Confident129 Ų12968.7 Ų68.766%0.66235%0.346SS*.Hα-helixtrans-56.1-34.5-176.6-168.4164000112.1L191 S192 D193I189-L191 PolarHBondContact O-N 2.94Å; I189-S192 WeakPolarHBondContact CA-OG 3.19Å; I189-S192 PolarHBondContact O-N 3.42Å; I189-S192 VanDerWaalsContact O-N 3.1Å; I189-S192 PolarHBondContact O-OG 3.07Å; I189-D193 PolarHBondContact O-N 3.37Å
190L89.6Confident79.2Confident7 Ų776 Ų764%0.03738%0.383CS..Hα-helixtrans-56.4-36.4177.3-175.572000112.4I32 K163 T164 L167 D188 W198I32-L190 HydrophobicContact CD1-CD1 4.34Å; I32-L190 HydrophobicContact CD1-CD2 3.82Å; I32-L190 HydrophobicContact CD1-CG 4.08Å; K163-L190 HydrophobicContact CB-CD1 4.25Å; T164-L190 HydrophobicContact CG2-CD1 4.12Å; T164-L190 HydrophobicContact CG2-CD2 4.03Å; L167-L190 HydrophobicContact CB-CD2 4.32Å; L167-L190 HydrophobicContact CD2-CD2 3.76Å; D188-L190 PolarHBondContact O-N 3.09Å; D188-L190 VanDerWaalsContact O-N 3.13Å; D188-L190 WeakPolarHBondContact OD1-CB 3.25Å; D188-L190 PolarHBondContact OD1-N 3.29Å; L190-W198 HydrophobicContact CD1-CH2 3.95Å; L190-W198 HydrophobicContact CD1-CZ3 3.7Å
191L87.4Confident77.2Confident4 Ų476.3 Ų76.32%0.02138%0.384CS..Hα-helixtrans-90.4-15.2-177.9-51.8-170.7000112.8I32 F35 K36 M39 L167 V185 D188 I189I32-L191 HydrophobicContact CG2-CD2 4.02Å; F35-L191 HydrophobicContact CD1-CD1 4.05Å; F35-L191 HydrophobicContact CD1-CD2 3.86Å; F35-L191 HydrophobicContact CE1-CD1 4.2Å; K36-L191 WeakPolarHBondContact CD-O 3.2Å; K36-L191 WeakPolarHBondContact CE-O 3.45Å; K36-L191 PolarHBondContact NZ-O 3.1Å; M39-L191 HydrophobicContact CG-CD1 4.13Å; L167-L191 HydrophobicContact CD2-CG 4.49Å; V185-L191 HydrophobicContact CG1-CD1 4.48Å; V185-L191 VanDerWaalsContact O-CD1 3.26Å; V185-L191 WeakPolarHBondContact O-CD1 3.49Å; D188-L191 PolarHBondContact O-N 3.41Å; I189-L191 PolarHBondContact O-N 2.94Å
192S79.4Confident75.1Confident83 Ų8375.6 Ų75.658%0.5837%0.373SS*.Hα-helixtrans-85.5-20.1172.775.30000113.1D188 I189D188-S192 PolarHBondContact O-N 3.38Å; I189-S192 WeakPolarHBondContact CA-OG 3.19Å; I189-S192 PolarHBondContact O-N 3.42Å; I189-S192 VanDerWaalsContact O-N 3.1Å; I189-S192 PolarHBondContact O-OG 3.07Å
193D69.8Low73.1Confident58 Ų5877.9 Ų77.931%0.3140%0.395SS..SBendtrans-67.1142.3-172.2-130.8-17.8000112.1I189 N197I189-D193 PolarHBondContact O-N 3.37Å; D193-N197 PolarHBondContact OD1-ND2 2.82Å
194S59.3Low71.2Confident63 Ų6379.2 Ų79.244%0.44140%0.401SS..  trans-71.2138.9-179.6178.90000111R196 N197S194-R196 PolarHBondContact O-N 3.34Å; S194-N197 PolarHBondContact O-N 3.18Å
195P57.6Low69.2Low86 Ų8674.4 Ų74.456%0.55839%0.387SS*.G310 helixtrans-52.3-25.2-178.4-27.632.9000114.9N197 W198P195-N197 VanDerWaalsContact C-N 3.26Å; P195-N197 PolarHBondContact O-N 2.93Å; P195-W198 WeakPolarHBondContact O-CB 3.24Å; P195-W198 PolarHBondContact O-N 3.16Å
196R54.6Low67.3Low213 Ų21380.2 Ų80.280%0.80441%0.413SS*.G310 helixtrans-62.9-29.5179.8-63.1-174.8-159.7-177.66.2113.3S194 W198S194-R196 PolarHBondContact O-N 3.34Å; R196-W198 PolarHBondContact O-N 3.04Å; R196-W198 VanDerWaalsContact O-N 3.16Å
197N58.4Low65.7Low86 Ų8680.7 Ų80.746%0.4642%0.422SS..G310 helixtrans-70.4-8.8-179.3-73.6-15.8000113.1D193 S194 P195D193-N197 PolarHBondContact OD1-ND2 2.82Å; S194-N197 PolarHBondContact O-N 3.18Å; P195-N197 VanDerWaalsContact C-N 3.26Å; P195-N197 PolarHBondContact O-N 2.93Å
198W60.5Low64.1Low13 Ų1379.8 Ų79.85%0.04941%0.413CS..G310 helixtrans-92.4-21.4-173.9-151-84000114.7V28 D29 I32 P161 T164 L190 P195 R196 M200 M201V28-W198 VanDerWaalsContact C-NE1 3.33Å; V28-W198 HydrophobicContact CB-CZ2 4.14Å; V28-W198 HydrophobicContact CG1-CH2 4.32Å; V28-W198 HydrophobicContact CG1-CZ2 3.12Å; D29-W198 HydrophobicContact CB-CB 3.68Å; D29-W198 HydrophobicContact CB-CD2 4.48Å; D29-W198 HydrophobicContact CB-CG 3.58Å; I32-W198 HydrophobicContact CD1-CH2 4.08Å; I32-W198 HydrophobicContact CD1-CZ3 4.42Å; I32-W198 HydrophobicContact CG1-CE3 4.21Å; I32-W198 HydrophobicContact CG1-CH2 3.69Å; I32-W198 HydrophobicContact CG1-CZ2 4.08Å; I32-W198 HydrophobicContact CG1-CZ3 3.76Å; P161-W198 HydrophobicContact CB-CH2 4.47Å; P161-W198 HydrophobicContact CB-CZ2 4.07Å; P161-W198 HydrophobicContact CG-CZ2 3.9Å; T164-W198 HydrophobicContact CG2-CH2 3.75Å; T164-W198 HydrophobicContact CG2-CZ2 4.35Å; L190-W198 HydrophobicContact CD1-CH2 3.95Å; L190-W198 HydrophobicContact CD1-CZ3 3.7Å; P195-W198 WeakPolarHBondContact O-CB 3.24Å; P195-W198 PolarHBondContact O-N 3.16Å; R196-W198 PolarHBondContact O-N 3.04Å; R196-W198 VanDerWaalsContact O-N 3.16Å; W198-M200 PolarHBondContact O-N 3.43Å; W198-M200 VanDerWaalsContact O-N 3.14Å; W198-M201 HydrophobicContact CD2-SD 3.89Å; W198-M201 HydrophobicContact CE3-SD 3.94Å; W198-M201 HydrophobicContact CH2-CE 4.42Å; W198-M201 HydrophobicContact CH2-SD 3.72Å; W198-M201 HydrophobicContact CZ2-CE 4.39Å; W198-M201 HydrophobicContact CZ2-SD 3.61Å; W198-M201 HydrophobicContact CZ3-SD 3.88Å; W198-M201 WeakPolarHBondContact O-CB 3.43Å; W198-M201 PolarHBondContact O-N 3.36Å
199K54.1Low62.5Low163 Ų16382.6 Ų82.671%0.70943%0.425SS*.THydrogen-bonded Turntrans-59.9-28.6-175.4-78.5-171.4-179.8-175.10113.7M201K199-M201 VanDerWaalsContact C-N 3.3Å; K199-M201 PolarHBondContact O-N 3.1Å
200M52.3Low61Low168 Ų16883.9 Ų83.983%0.82843%0.426SS*.THydrogen-bonded Turntrans-68.4-26.2173.5-80.6172.754.500113.2W198W198-M200 PolarHBondContact O-N 3.43Å; W198-M200 VanDerWaalsContact O-N 3.14Å
201M55Low59.5Low18 Ų1890.3 Ų90.39%0.08945%0.453CS..THydrogen-bonded Turntrans-83.3-22.5-172.9-54.6-171.688.700113.3P161 K163 W198 K199 A203 E204 A205P161-M201 HydrophobicContact CB-CE 3.54Å; K163-M201 HydrophobicContact CB-CE 3.98Å; K163-M201 HydrophobicContact CD-CE 3.99Å; K163-M201 HydrophobicContact CD-SD 4.08Å; K163-M201 HydrophobicContact CG-CE 3.83Å; W198-M201 HydrophobicContact CD2-SD 3.89Å; W198-M201 HydrophobicContact CE3-SD 3.94Å; W198-M201 HydrophobicContact CH2-CE 4.42Å; W198-M201 HydrophobicContact CH2-SD 3.72Å; W198-M201 HydrophobicContact CZ2-CE 4.39Å; W198-M201 HydrophobicContact CZ2-SD 3.61Å; W198-M201 HydrophobicContact CZ3-SD 3.88Å; W198-M201 WeakPolarHBondContact O-CB 3.43Å; W198-M201 PolarHBondContact O-N 3.36Å; K199-M201 VanDerWaalsContact C-N 3.3Å; K199-M201 PolarHBondContact O-N 3.1Å; M201-A203 PolarHBondContact O-N 3.08Å; M201-E204 PolarHBondContact O-N 3.09Å; M201-E204 VanDerWaalsContact O-N 3.16Å; M201-A205 PolarHBondContact O-N 3.24Å
202Q52.7Low57.9Low67 Ų6793 Ų9331%0.31347%0.465SS..Hα-helixtrans-61-29.6178.2-71.4-174.82.300112.3D29 H206D29-Q202 PolarHBondContact OD1-NE2 3.2Å; Q202-H206 WeakPolarHBondContact O-CB 3.35Å; Q202-H206 PolarHBondContact O-N 3.15Å; Q202-H206 PolarHBondContact O-ND1 3.12Å
203A52Low56.9Low65 Ų6597.1 Ų97.154%0.53747%0.473SS..Hα-helixtrans-66.7-39.8176.700000112.3M201 V207M201-A203 PolarHBondContact O-N 3.08Å; A203-V207 WeakPolarHBondContact O-CG2 3.4Å; A203-V207 PolarHBondContact O-N 2.97Å
204E54.1Low56.3Low120 Ų120102.2 Ų102.256%0.56149%0.492SS*.Hα-helixtrans-73.1-42.4-176.3-62.6-175.8157.100112.4M201 K208M201-E204 PolarHBondContact O-N 3.09Å; M201-E204 VanDerWaalsContact O-N 3.16Å; E204-K208 PolarHBondContact O-N 3.08Å
205A54.1Low56Low20 Ų20106.2 Ų106.217%0.16550%0.504CS..Hα-helixtrans-69-40.9-178.900000112.4V28 M201 V207 K208 K209V28-A205 HydrophobicContact CG2-CB 4.43Å; M201-A205 PolarHBondContact O-N 3.24Å; A205-V207 PolarHBondContact O-N 3.24Å; A205-K208 PolarHBondContact O-N 3.17Å; A205-K209 PolarHBondContact O-N 2.93Å
206H55.7Low55.6Low123 Ų123108 Ų10857%0.56951%0.509SS*.Hα-helixtrans-65.3-38.4177.6-84.281.1000112.6Q202 K210Q202-H206 WeakPolarHBondContact O-CB 3.35Å; Q202-H206 PolarHBondContact O-N 3.15Å; Q202-H206 PolarHBondContact O-ND1 3.12Å; H206-K210 PolarHBondContact O-N 3.18Å; H206-K210 VanDerWaalsContact O-N 3.09Å
207V56.6Low55.6Low85 Ų85101.9 Ų101.952%0.51550%0.504SS..Hα-helixtrans-64.3-41.7176.6170.80000110.8A203 A205 K211A203-V207 WeakPolarHBondContact O-CG2 3.4Å; A203-V207 PolarHBondContact O-N 2.97Å; A205-V207 PolarHBondContact O-N 3.24Å; V207-K211 PolarHBondContact O-N 3.2Å; V207-K211 VanDerWaalsContact O-N 3.16Å
208K58.8Low54.6Low89 Ų89106.8 Ų106.839%0.38754%0.536SS..Hα-helixtrans-69.4-44.1178-72.6-179.3176.2179.90113S158 L159 E204 A205 K210 K211 H212S158-K208 WeakPolarHBondContact O-CD 3.39Å; S158-K208 PolarHBondContact O-NZ 3.39Å; L159-K208 HydrophobicContact CD2-CB 4.31Å; E204-K208 PolarHBondContact O-N 3.08Å; A205-K208 PolarHBondContact O-N 3.17Å; K208-K210 VanDerWaalsContact C-N 3.34Å; K208-K210 PolarHBondContact O-N 3.07Å; K208-K211 PolarHBondContact O-N 3.27Å; K208-K211 VanDerWaalsContact O-N 3.15Å; K208-H212 PolarHBondContact O-N 3.23Å
209K59.7Low54.3Low74 Ų74111.5 Ų111.532%0.32256%0.561SS.*Hα-helixtrans-59.5-41.1175.4-98.6-176.6174.7173.30112.4T128 S129 L159 A205 H212 K213T128-K209 WeakPolarHBondContact O-CE 3.43Å; T128-K209 PolarHBondContact O-NZ 3.03Å; T128-K209 VanDerWaalsContact O-NZ 3.09Å; S129-K209 PolarHBondContact OG-NZ 3.4Å; L159-K209 HydrophobicContact CD2-CG 4.41Å; A205-K209 PolarHBondContact O-N 2.93Å; K209-H212 PolarHBondContact O-N 3.25Å; K209-K213 PolarHBondContact O-N 3.44Å; K209-K213 VanDerWaalsContact O-N 3.09Å
210K59.7Low54.3Low157 Ų157108.8 Ų108.868%0.68355%0.553SS**Hα-helixtrans-65.3-36.8175.5-80.1-174176.8179.90112.7H206 K208 K214H206-K210 PolarHBondContact O-N 3.18Å; H206-K210 VanDerWaalsContact O-N 3.09Å; K208-K210 VanDerWaalsContact C-N 3.34Å; K208-K210 PolarHBondContact O-N 3.07Å; K210-K214 PolarHBondContact O-N 2.91Å
211K57Low54.4Low142 Ų142105.5 Ų105.562%0.61754%0.538SS*.Hα-helixtrans-70.5-37.3175.5-77.8-173.8176.4-175.10112.8V207 K208 K214 H215V207-K211 PolarHBondContact O-N 3.2Å; V207-K211 VanDerWaalsContact O-N 3.16Å; K208-K211 PolarHBondContact O-N 3.27Å; K208-K211 VanDerWaalsContact O-N 3.15Å; K211-K214 PolarHBondContact O-N 2.77Å; K211-H215 PolarHBondContact O-N 3.45Å; K211-H215 PolarHBondContact O-ND1 3.27Å
212H55.7Low54.4Low60 Ų60110.6 Ų110.628%0.27856%0.564SS.*Hα-helixtrans-69.7-44.8179.8-154.158.9000112S155 K208 K209 K214 H215 N216S155-H212 VanDerWaalsContact CB-CE1 3.43Å; S155-H212 WeakPolarHBondContact CB-CE1 3.38Å; S155-H212 PolarHBondContact OG-CE1 3.22Å; S155-H212 VanDerWaalsContact OG-CE1 3.24Å; S155-H212 PolarHBondContact OG-NE2 2.92Å; K208-H212 PolarHBondContact O-N 3.23Å; K209-H212 PolarHBondContact O-N 3.25Å; H212-K214 PolarHBondContact O-N 3.06Å; H212-H215 PolarHBondContact O-N 2.99Å; H212-H215 VanDerWaalsContact O-N 3.07Å; H212-N216 PolarHBondContact O-N 2.81Å
213K57.7Low54.5Low169 Ų169113.4 Ų113.474%0.73558%0.58SS**Hα-helixtrans-61-28.2173.7-77.1-169.3174.8-1730113.7K209 A217K209-K213 PolarHBondContact O-N 3.44Å; K209-K213 VanDerWaalsContact O-N 3.09Å; K213-A217 WeakPolarHBondContact O-CB 3.27Å
214K56Low54.7Low165 Ų165116.6 Ų116.672%0.71758%0.583SS**Hα-helixtrans-74.2-30.7174-84.6-170.6173.1-169.70113.6K210 K211 H212K210-K214 PolarHBondContact O-N 2.91Å; K211-K214 PolarHBondContact O-N 2.77Å; H212-K214 PolarHBondContact O-N 3.06Å
215H54.1Low54.7Low147 Ų147116.4 Ų116.468%0.68158%0.584SS**Hα-helixtrans-78.1-29.8178.7-86.276.7000113K211 H212 A217K211-H215 PolarHBondContact O-N 3.45Å; K211-H215 PolarHBondContact O-ND1 3.27Å; H212-H215 PolarHBondContact O-N 2.99Å; H212-H215 VanDerWaalsContact O-N 3.07Å; H215-A217 VanDerWaalsContact C-N 3.32Å
216N49.1Very low54.8Low125 Ų125123.8 Ų123.867%0.66862%0.616SS**THydrogen-bonded Turntrans-894.1177.6-66.7-5.9000113.6H212H212-N216 PolarHBondContact O-N 2.81Å
217A53.7Low54.7Low84 Ų84123.8 Ų123.869%0.69462%0.62SS**THydrogen-bonded Turntrans-109.513.5179.700000112.9K213 H215K213-A217 WeakPolarHBondContact O-CB 3.27Å; H215-A217 VanDerWaalsContact C-N 3.32Å
218V38.3Very low54.5Low189 Ų189127.4 Ų127.4100%1.14563%0.63SS**  trans-116.90176.3-178.10000109

Retrieved 218 of 218 residues in 235.5 ms (Link to these results)

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