A0A452RS26_URSAM Loading...

G protein subunit alpha i1

AlphaFold DB , UniProt , Accession A0A452RS26, Species URSAM (Ursus americanus, American black bear), Gene n/a, Length 157 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
1M67.3Low79.5Confident177 Ų17797.4 Ų97.487%0.87251%0.513SS*.  01260-173.1177.8-71.300107.3I25 F139M1-I25 HydrophobicContact CE-CD1 3.86Å; M1-F139 HydrophobicContact CE-CD2 4.27Å; M1-F139 HydrophobicContact CE-CE1 4.12Å; M1-F139 HydrophobicContact CE-CE2 3.59Å; M1-F139 HydrophobicContact CE-CZ 3.47Å; M1-F139 VanDerWaalsContact CE-CZ 3.47Å
2F76.3Confident79.6Confident184 Ų184104.6 Ų104.681%0.80754%0.537SS*.  trans-107.7126.2173.2-66.8-79.7000107.4
3D77.4Confident79.8Confident164 Ų164105.2 Ų105.288%0.87753%0.533SS*.  trans-94.6133.7172.7-174.924.3000109.1
4V82Confident80.1Confident57 Ų5799.7 Ų99.735%0.34550%0.503SS..  trans-126.8133-178.9-66.90000109.5G6 W14V4-G6 PolarHBondContact O-N 2.96Å; V4-W14 HydrophobicContact CG2-CD2 4.38Å; V4-W14 HydrophobicContact CG2-CG 4.45Å; V4-W14 HydrophobicContact CG2-CZ2 4.17Å
5G78.3Confident79.7Confident36 Ų3699.3 Ų99.337%0.37150%0.501SS..  trans-60.2129.2178.900000111.7E10 W14G5-E10 WeakPolarHBondContact O-CB 3.42Å; G5-W14 PolarHBondContact O-NE1 2.93Å
6G79.3Confident79.3Confident41 Ų41103.1 Ų103.142%0.42352%0.516SS..  trans-81.5-10.717800000115.3V4 R11V4-G6 PolarHBondContact O-N 2.96Å; G6-R11 PolarHBondContact O-NE 3.08Å; G6-R11 PolarHBondContact O-NH2 2.84Å; G6-R11 VanDerWaalsContact O-NH2 3.15Å
7Q79.7Confident79Confident121 Ų12199.6 Ų99.657%0.56550%0.503SS*.SBendtrans-61.2146178-68.8176.213.900110.9S9 E10 R11Q7-S9 PolarHBondContact O-N 2.86Å; Q7-S9 VanDerWaalsContact O-N 3.12Å; Q7-E10 HydrophobicContact CB-CG 4.4Å; Q7-E10 PolarHBondContact O-N 3.07Å; Q7-R11 PolarHBondContact O-N 2.89Å
8R83.5Confident78.7Confident94 Ų9496.3 Ų96.336%0.35549%0.485SS..THydrogen-bonded Turntrans-55.9-35.5-174-74.4178.8171.5170.90.3112.6E10 D40 E48R8-E10 VanDerWaalsContact C-N 3.34Å; R8-E10 PolarHBondContact O-N 3.39Å; R8-D40 IonicContact CZ-OD2 2.75Å; R8-D40 IonicContact NH1-OD2 2.89Å; R8-D40 PolarHBondContact NH1-OD2 3.2Å; R8-D40 VanDerWaalsContact NH1-OD2 3.14Å; R8-D40 IonicContact NH2-OD2 3.47Å; R8-E48 IonicContact CZ-OE1 2.64Å; R8-E48 IonicContact CZ-OE2 2.84Å; R8-E48 IonicContact NE-OE1 3.94Å; R8-E48 PolarHBondContact NE-OE1 3.43Å; R8-E48 VanDerWaalsContact NE-OE1 3.14Å; R8-E48 IonicContact NE-OE2 3.59Å; R8-E48 IonicContact NH2-OE1 3.14Å; R8-E48 IonicContact NH2-OE2 2.72Å; R8-E48 PolarHBondContact NH2-OE2 2.96Å
9S82.4Confident78.4Confident70 Ų70101.3 Ų101.349%0.4951%0.506SS..THydrogen-bonded Turntrans-64.6-32.8176.8520000113.9Q7Q7-S9 PolarHBondContact O-N 2.86Å; Q7-S9 VanDerWaalsContact O-N 3.12Å
10E85.5Confident78Confident64 Ų64100 Ų10030%0.29952%0.52SS..THydrogen-bonded Turntrans-86-23-174.2-67.1-60.4117.900112.9G5 Q7 R8 K12 K13G5-E10 WeakPolarHBondContact O-CB 3.42Å; Q7-E10 HydrophobicContact CB-CG 4.4Å; Q7-E10 PolarHBondContact O-N 3.07Å; R8-E10 VanDerWaalsContact C-N 3.34Å; R8-E10 PolarHBondContact O-N 3.39Å; E10-K12 PolarHBondContact O-N 3.04Å; E10-K12 VanDerWaalsContact O-N 3.09Å; E10-K13 WeakPolarHBondContact O-CB 3.3Å; E10-K13 PolarHBondContact O-N 2.99Å; E10-K13 IonicContact OE1-NZ 3.64Å; E10-K13 PolarHBondContact OE1-NZ 2.69Å; E10-K13 IonicContact OE2-NZ 2.79Å; E10-K13 PolarHBondContact OE2-NZ 3.29Å
11R83.2Confident78.1Confident63 Ų6397.5 Ų97.524%0.23851%0.509CS..G310 helixtrans-59.7-26-176.2-65.2179.8-163.6165.36.7114.3G6 Q7 K13 W14 E48G6-R11 PolarHBondContact O-NE 3.08Å; G6-R11 PolarHBondContact O-NH2 2.84Å; G6-R11 VanDerWaalsContact O-NH2 3.15Å; Q7-R11 PolarHBondContact O-N 2.89Å; R11-K13 PolarHBondContact O-N 3.34Å; R11-W14 HydrophobicContact CB-CD2 4.4Å; R11-W14 HydrophobicContact CG-CD2 4.4Å; R11-W14 HydrophobicContact CG-CH2 4.43Å; R11-W14 HydrophobicContact CG-CZ2 4.02Å; R11-W14 VanDerWaalsContact O-CB 3.32Å; R11-W14 WeakPolarHBondContact O-CB 3.46Å; R11-W14 PolarHBondContact O-N 2.81Å; R11-E48 IonicContact CZ-OE1 3.58Å; R11-E48 VanDerWaalsContact CZ-OE1 3.28Å; R11-E48 IonicContact NH1-OE1 3.26Å; R11-E48 PolarHBondContact NH1-OE1 3.25Å; R11-E48 IonicContact NH2-OE1 2.56Å; R11-E48 PolarHBondContact NH2-OE1 3.34Å
12K80.5Confident78.6Confident184 Ų18492.9 Ų92.980%0.849%0.491SS*.G310 helixtrans-62.2-23.4175.7-68-177.1-178.4177.50112.9E10E10-K12 PolarHBondContact O-N 3.04Å; E10-K12 VanDerWaalsContact O-N 3.09Å
13K82.3Confident79Confident112 Ų11285.8 Ų85.849%0.48747%0.466SS..G310 helixtrans-85.3-12.8-178.4-57.1175.1-170.2164.10112.8E10 R11 I15 H16E10-K13 WeakPolarHBondContact O-CB 3.3Å; E10-K13 PolarHBondContact O-N 2.99Å; E10-K13 IonicContact OE1-NZ 3.64Å; E10-K13 PolarHBondContact OE1-NZ 2.69Å; E10-K13 IonicContact OE2-NZ 2.79Å; E10-K13 PolarHBondContact OE2-NZ 3.29Å; R11-K13 PolarHBondContact O-N 3.34Å; K13-I15 PolarHBondContact O-N 3.3Å; K13-H16 PolarHBondContact O-CD2 3.38Å; K13-H16 VanDerWaalsContact O-CD2 3.24Å; K13-H16 PolarHBondContact O-N 3.4Å
14W83.6Confident79.5Confident29 Ų2979.1 Ų79.111%0.1143%0.43CS..G310 helixtrans-62.1-27.2-174.8-71.811.9000113.3V4 G5 R11 H16 C17 F18 L52 I56V4-W14 HydrophobicContact CG2-CD2 4.38Å; V4-W14 HydrophobicContact CG2-CG 4.45Å; V4-W14 HydrophobicContact CG2-CZ2 4.17Å; G5-W14 PolarHBondContact O-NE1 2.93Å; R11-W14 HydrophobicContact CB-CD2 4.4Å; R11-W14 HydrophobicContact CG-CD2 4.4Å; R11-W14 HydrophobicContact CG-CH2 4.43Å; R11-W14 HydrophobicContact CG-CZ2 4.02Å; R11-W14 VanDerWaalsContact O-CB 3.32Å; R11-W14 WeakPolarHBondContact O-CB 3.46Å; R11-W14 PolarHBondContact O-N 2.81Å; W14-H16 PolarHBondContact O-N 3.19Å; W14-C17 WeakPolarHBondContact O-CB 3.33Å; W14-C17 PolarHBondContact O-N 3.08Å; W14-F18 HydrophobicContact CB-CD1 4.47Å; W14-F18 HydrophobicContact CB-CE1 3.56Å; W14-F18 HydrophobicContact CB-CZ 3.73Å; W14-F18 HydrophobicContact CE3-CE1 4.4Å; W14-F18 HydrophobicContact CE3-CZ 4.25Å; W14-F18 WeakPolarHBondContact O-CD1 3.39Å; W14-F18 WeakPolarHBondContact O-CE1 3.19Å; W14-L52 HydrophobicContact CH2-CD1 3.73Å; W14-L52 HydrophobicContact CH2-CD2 3.9Å; W14-L52 HydrophobicContact CH2-CG 4.1Å; W14-L52 HydrophobicContact CZ3-CD1 3.8Å; W14-I56 HydrophobicContact CH2-CD1 3.81Å; W14-I56 HydrophobicContact CZ3-CD1 3.48Å; W14-I56 VanDerWaalsContact CZ3-CD1 3.48Å; W14-I56 HydrophobicContact CZ3-CG1 3.83Å
15I73.9Confident79.9Confident93 Ų9379 Ų7948%0.47743%0.428SS..G310 helixtrans-54.3-28.7179-163.3165.6000113.1K13 C17 F18 W61K13-I15 PolarHBondContact O-N 3.3Å; I15-C17 PolarHBondContact O-N 3.14Å; I15-F18 PolarHBondContact O-N 3.2Å; I15-W61 HydrophobicContact CD1-CH2 3.82Å; I15-W61 HydrophobicContact CD1-CZ3 4.3Å; I15-W61 HydrophobicContact CG1-CH2 3.68Å; I15-W61 HydrophobicContact CG1-CZ3 3.65Å
16H73.4Confident80.6Confident160 Ų16078 Ų7874%0.74141%0.413SS*.G310 helixtrans-71.7-12.9177.6-59.8-58.1000113.6K13 W14K13-H16 PolarHBondContact O-CD2 3.38Å; K13-H16 VanDerWaalsContact O-CD2 3.24Å; K13-H16 PolarHBondContact O-N 3.4Å; W14-H16 PolarHBondContact O-N 3.19Å
17C73.8Confident81.2Confident44 Ų4479.7 Ų79.730%0.29742%0.417SS..G310 helixtrans-106.62.3-177.8-57.30000112.8W14 I15 V21W14-C17 WeakPolarHBondContact O-CB 3.33Å; W14-C17 PolarHBondContact O-N 3.08Å; I15-C17 PolarHBondContact O-N 3.14Å; C17-V21 WeakPolarHBondContact O-CG2 3.39Å
18F74.4Confident82Confident40 Ų4074.1 Ų74.118%0.17539%0.391CS..  trans-91.4-5.7-166.8-67.8-1.1000115.1W14 I15 W61 F62W14-F18 HydrophobicContact CB-CD1 4.47Å; W14-F18 HydrophobicContact CB-CE1 3.56Å; W14-F18 HydrophobicContact CB-CZ 3.73Å; W14-F18 HydrophobicContact CE3-CE1 4.4Å; W14-F18 HydrophobicContact CE3-CZ 4.25Å; W14-F18 WeakPolarHBondContact O-CD1 3.39Å; W14-F18 WeakPolarHBondContact O-CE1 3.19Å; I15-F18 PolarHBondContact O-N 3.2Å; F18-W61 HydrophobicContact CB-CE3 3.37Å; F18-W61 HydrophobicContact CB-CZ3 3.75Å; F18-W61 HydrophobicContact CD2-CD2 4.22Å; F18-W61 AromaticContact CD2-CE3 3.36Å; F18-W61 HydrophobicContact CD2-CE3 3.36Å; F18-W61 AromaticContact CD2-CZ3 3.72Å; F18-W61 HydrophobicContact CD2-CZ3 3.72Å; F18-W61 AromaticContact CG-CE3 3.85Å; F18-W61 HydrophobicContact CG-CE3 3.85Å; F18-W61 HydrophobicContact CG-CZ3 4.18Å; F18-F62 HydrophobicContact CB-CE1 4.2Å; F18-F62 HydrophobicContact CB-CZ 4.2Å; F18-F62 HydrophobicContact CD1-CE1 4.04Å; F18-F62 HydrophobicContact CD1-CE2 4.13Å; F18-F62 AromaticContact CD1-CZ 3.28Å; F18-F62 HydrophobicContact CD1-CZ 3.28Å; F18-F62 HydrophobicContact CD2-CE2 4.41Å; F18-F62 HydrophobicContact CD2-CZ 4.05Å; F18-F62 AromaticContact CE1-CE2 3.81Å; F18-F62 HydrophobicContact CE1-CE2 3.81Å; F18-F62 AromaticContact CE1-CZ 3.38Å; F18-F62 HydrophobicContact CE1-CZ 3.38Å; F18-F62 HydrophobicContact CE2-CE2 4.15Å; F18-F62 HydrophobicContact CE2-CZ 4.16Å; F18-F62 HydrophobicContact CG-CE1 4.12Å; F18-F62 HydrophobicContact CG-CE2 4.4Å; F18-F62 AromaticContact CG-CZ 3.62Å; F18-F62 HydrophobicContact CG-CZ 3.62Å; F18-F62 AromaticContact CZ-CE2 3.82Å; F18-F62 HydrophobicContact CZ-CE2 3.82Å; F18-F62 AromaticContact CZ-CZ 3.84Å; F18-F62 HydrophobicContact CZ-CZ 3.84Å
19E72.3Confident82.6Confident191 Ų19170.7 Ų70.789%0.89338%0.383SS*.SBendtrans-96.1132.3177.6-167172.5-166.800111.2V21E19-V21 PolarHBondContact O-N 3.04Å
20G70.8Confident83.3Confident76 Ų7667.3 Ų67.378%0.78436%0.36SS*.SBendtrans73.320.7175.500000115.4T22G20-T22 PolarHBondContact O-N 3.45Å
21V79.5Confident83.8Confident47 Ų4764.6 Ų64.629%0.28535%0.348SS..  trans-76.7115.6178.3-178.60000110.6C17 E19 A23 I24 T65C17-V21 WeakPolarHBondContact O-CG2 3.39Å; E19-V21 PolarHBondContact O-N 3.04Å; V21-A23 WeakPolarHBondContact CG1-O 3.29Å; V21-I24 HydrophobicContact CG1-CG1 4Å; V21-T65 HydrophobicContact CB-CG2 4.38Å; V21-T65 HydrophobicContact CG1-CG2 3.91Å
22T78.5Confident84.5Confident80 Ų8062.6 Ų62.649%0.49134%0.342SS..SBendtrans-70-41.5174.9-47.20000112.4G20 I146 N150G20-T22 PolarHBondContact O-N 3.45Å; T22-I146 HydrophobicContact CG2-CG2 4.14Å; T22-N150 WeakPolarHBondContact CG2-ND2 3.21Å
23A84.4Confident85.3Confident35 Ų3553.9 Ų53.929%0.28930%0.304SS..EExtended strand (participates in β ladder)trans-153.1151.5-178.800000111V21 S66 I146V21-A23 WeakPolarHBondContact CG1-O 3.29Å; A23-S66 CarbonylContact C-O 3.59Å; A23-S66 WeakPolarHBondContact CA-O 3.43Å; A23-I146 HydrophobicContact CB-CD1 3.92Å; A23-I146 HydrophobicContact CB-CG2 4.27Å
24I88.5Confident86Confident24 Ų2450.4 Ų50.412%0.12329%0.291CS..EExtended strand (participates in β ladder)trans-107.9131.3172.4-62.7170.4000108.5V21 I56 F62 T65 S66 I67 I68V21-I24 HydrophobicContact CG1-CG1 4Å; I24-I56 HydrophobicContact CD1-CG2 3.73Å; I24-I56 HydrophobicContact CG2-CG2 4.35Å; I24-F62 HydrophobicContact CD1-CB 4.12Å; I24-F62 HydrophobicContact CD1-CD1 3.65Å; I24-F62 HydrophobicContact CD1-CD2 3.66Å; I24-F62 HydrophobicContact CD1-CE1 3.79Å; I24-F62 HydrophobicContact CD1-CE2 3.8Å; I24-F62 HydrophobicContact CD1-CG 3.55Å; I24-F62 HydrophobicContact CD1-CZ 3.81Å; I24-T65 HydrophobicContact CD1-CG2 4.07Å; I24-T65 HydrophobicContact CG1-CG2 3.82Å; I24-S66 PolarHBondContact N-O 3.37Å; I24-I67 HydrophobicContact CB-CG1 4.32Å; I24-I67 CarbonylContact O-C 3.59Å; I24-I67 WeakPolarHBondContact O-CA 3.25Å; I24-I68 PolarHBondContact O-N 3.22Å
25I89.5Confident86.6Confident56 Ų5651.9 Ų51.929%0.28730%0.3SS..EExtended strand (participates in β ladder)trans-99.9117.8166.4-50.6168.8000107M1 I68 F70 F139M1-I25 HydrophobicContact CE-CD1 3.86Å; I25-I68 CarbonylContact C-O 3.59Å; I25-I68 WeakPolarHBondContact CA-O 3.41Å; I25-I68 HydrophobicContact CG1-CD1 4.28Å; I25-F70 HydrophobicContact CG2-CD2 3.68Å; I25-F70 HydrophobicContact CG2-CE2 3.7Å; I25-F70 HydrophobicContact CG2-CG 4.23Å; I25-F70 HydrophobicContact CG2-CZ 4.26Å; I25-F139 HydrophobicContact CD1-CD2 3.78Å; I25-F139 HydrophobicContact CD1-CE2 3.36Å; I25-F139 HydrophobicContact CD1-CZ 4.44Å; I25-F139 HydrophobicContact CG1-CE2 4.3Å
26F93.1Very high87.6Confident15 Ų1550.6 Ų50.67%0.06630%0.297CS..EExtended strand (participates in β ladder)trans-109.9121175.7-167.8-94.3000109.8V28 L52 F53 I56 I68 L69 F70 F110F26-V28 HydrophobicContact CD1-CG2 3.76Å; F26-V28 HydrophobicContact CE1-CG2 3.62Å; F26-L52 HydrophobicContact CE2-CD2 3.96Å; F26-L52 HydrophobicContact CE2-CG 3.92Å; F26-L52 HydrophobicContact CZ-CB 4.27Å; F26-L52 HydrophobicContact CZ-CD2 4.12Å; F26-L52 HydrophobicContact CZ-CG 4.11Å; F26-F53 HydrophobicContact CB-CD2 4.18Å; F26-F53 HydrophobicContact CB-CE2 4.28Å; F26-F53 HydrophobicContact CD1-CB 4.35Å; F26-F53 AromaticContact CD1-CD2 3.49Å; F26-F53 HydrophobicContact CD1-CD2 3.49Å; F26-F53 VanDerWaalsContact CD1-CD2 3.49Å; F26-F53 HydrophobicContact CD1-CE2 4.23Å; F26-F53 HydrophobicContact CD1-CG 4.34Å; F26-F53 HydrophobicContact CD2-CD2 4.3Å; F26-F53 HydrophobicContact CE1-CB 3.81Å; F26-F53 AromaticContact CE1-CD2 3.85Å; F26-F53 HydrophobicContact CE1-CD2 3.85Å; F26-F53 HydrophobicContact CE1-CG 4.27Å; F26-F53 AromaticContact CG-CD2 3.72Å; F26-F53 HydrophobicContact CG-CD2 3.72Å; F26-F53 HydrophobicContact CG-CE2 4.31Å; F26-F53 HydrophobicContact CZ-CB 3.95Å; F26-F53 HydrophobicContact CZ-CD2 4.4Å; F26-I56 HydrophobicContact CD2-CD1 3.58Å; F26-I56 HydrophobicContact CE2-CD1 3.49Å; F26-I56 VanDerWaalsContact CE2-CD1 3.49Å; F26-I68 PolarHBondContact N-O 2.95Å; F26-L69 HydrophobicContact CB-CD1 4.41Å; F26-L69 HydrophobicContact CD1-CD1 3.77Å; F26-F70 PolarHBondContact O-N 3.43Å; F26-F110 HydrophobicContact CE1-CE1 4.32Å
27C92.9Very high88.3Confident76 Ų7644.1 Ų44.151%0.51427%0.268SS..EExtended strand (participates in β ladder)trans-104.9123.3-177.5-65.20000110.9
28V95.8Very high88.9Confident3 Ų346.5 Ų46.52%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-109.1135.8173.8-178.80000108.7F26 M46 L69 F70 L71 N72 F110F26-V28 HydrophobicContact CD1-CG2 3.76Å; F26-V28 HydrophobicContact CE1-CG2 3.62Å; V28-M46 HydrophobicContact CG1-CE 4.21Å; V28-M46 HydrophobicContact CG1-SD 3.84Å; V28-L69 HydrophobicContact CG2-CD1 3.69Å; V28-F70 PolarHBondContact N-O 2.8Å; V28-L71 HydrophobicContact CB-CD2 3.96Å; V28-L71 HydrophobicContact CG1-CD2 4.32Å; V28-L71 HydrophobicContact CG2-CD2 4.26Å; V28-N72 WeakPolarHBondContact O-CA 3.35Å; V28-N72 WeakPolarHBondContact O-CB 3.45Å; V28-N72 PolarHBondContact O-N 3.36Å; V28-F110 HydrophobicContact CB-CZ 4.25Å; V28-F110 HydrophobicContact CG1-CE2 3.84Å; V28-F110 HydrophobicContact CG1-CZ 3.65Å; V28-F110 HydrophobicContact CG2-CD1 4.18Å; V28-F110 HydrophobicContact CG2-CE1 3.56Å; V28-F110 HydrophobicContact CG2-CE2 4.13Å; V28-F110 HydrophobicContact CG2-CZ 3.54Å
29A95.8Very high89.4Confident22 Ų2249.6 Ų49.618%0.18231%0.305CS..EExtended strand (participates in β ladder)trans-88107.1168.800000109.6S31 D32 K73A29-S31 PolarHBondContact O-N 3.19Å; A29-D32 HydrophobicContact CB-CB 4.1Å; A29-D32 VanDerWaalsContact CB-CG 3.44Å; A29-D32 WeakPolarHBondContact CB-OD1 3.37Å; A29-D32 WeakPolarHBondContact O-CB 3.42Å; A29-D32 PolarHBondContact O-N 3.23Å; A29-K73 HydrophobicContact CB-CD 3.74Å; A29-K73 HydrophobicContact CB-CG 4.43Å
30L97.4Very high90.2Very high0 Ų042.8 Ų42.80%028%0.275CS..G310 helixtrans-57.8-37.5178.3-75.1176.4000112D32 Y33 L71 N72 K74 F77 I106 F126L30-D32 PolarHBondContact O-N 3.1Å; L30-Y33 WeakPolarHBondContact O-CD1 3.21Å; L30-L71 HydrophobicContact CD1-CB 3.98Å; L30-L71 HydrophobicContact CD2-CB 3.97Å; L30-L71 HydrophobicContact CD2-CD1 4.45Å; L30-L71 HydrophobicContact CD2-CD2 4.17Å; L30-L71 HydrophobicContact CD2-CG 4.42Å; L30-L71 HydrophobicContact CG-CB 3.93Å; L30-N72 WeakPolarHBondContact CB-O 3.21Å; L30-N72 PolarHBondContact N-O 2.87Å; L30-K74 HydrophobicContact CD1-CB 4.23Å; L30-F77 HydrophobicContact CB-CB 3.69Å; L30-F77 HydrophobicContact CB-CD1 4.41Å; L30-F77 HydrophobicContact CB-CD2 4Å; L30-F77 HydrophobicContact CB-CG 3.78Å; L30-F77 HydrophobicContact CD1-CB 4.49Å; L30-F77 HydrophobicContact CD1-CD1 4.34Å; L30-F77 HydrophobicContact CD1-CG 4.46Å; L30-F77 WeakPolarHBondContact O-CD2 3.32Å; L30-I106 HydrophobicContact CD2-CB 4.14Å; L30-I106 HydrophobicContact CD2-CD1 3.92Å; L30-I106 HydrophobicContact CD2-CG2 3.67Å; L30-F126 HydrophobicContact CD1-CD1 3.8Å; L30-F126 HydrophobicContact CD1-CE1 4.04Å
31S97.1Very high91.1Very high7 Ų747.2 Ų47.25%0.04928%0.275CS..G310 helixtrans-66.8-4.2-178.865.10000115.6A29 K73 K80A29-S31 PolarHBondContact O-N 3.19Å; S31-K73 WeakPolarHBondContact OG-CD 3.4Å; S31-K80 PolarHBondContact O-NZ 3.44Å
32D97.3Very high91.6Very high21 Ų2153.9 Ų53.911%0.11230%0.303CS..G310 helixtrans-93.73.1-172.4-72.528.1000112.7A29 L30 D34 L35 R45 K73A29-D32 HydrophobicContact CB-CB 4.1Å; A29-D32 VanDerWaalsContact CB-CG 3.44Å; A29-D32 WeakPolarHBondContact CB-OD1 3.37Å; A29-D32 WeakPolarHBondContact O-CB 3.42Å; A29-D32 PolarHBondContact O-N 3.23Å; L30-D32 PolarHBondContact O-N 3.1Å; D32-D34 VanDerWaalsContact C-N 3.26Å; D32-D34 PolarHBondContact O-N 3.35Å; D32-L35 HydrophobicContact CB-CD1 4.47Å; D32-L35 PolarHBondContact O-N 3.21Å; D32-L35 VanDerWaalsContact O-N 3.08Å; D32-R45 HydrophobicContact CB-CB 3.85Å; D32-R45 VanDerWaalsContact OD2-CD 3.32Å; D32-R45 WeakPolarHBondContact OD2-CD 3.45Å; D32-R45 IonicContact OD2-NH1 3.66Å; D32-K73 IonicContact OD1-NZ 3.76Å; D32-K73 PolarHBondContact OD1-NZ 3.14Å
33Y97.4Very high92.3Very high0 Ų051.2 Ų51.20%029%0.286CS..THydrogen-bonded Turntrans-59.1-27.1-177.771.5-90.7000115.1L30 N44 F77 K80 I81 S84 L86 C89L30-Y33 WeakPolarHBondContact O-CD1 3.21Å; Y33-N44 PolarHBondContact O-ND2 2.93Å; Y33-F77 AromaticContact CD1-CD2 3.73Å; Y33-F77 HydrophobicContact CD1-CD2 3.73Å; Y33-F77 AromaticContact CD1-CE2 3.6Å; Y33-F77 HydrophobicContact CD1-CE2 3.6Å; Y33-F77 AromaticContact CE1-CD2 3.6Å; Y33-F77 HydrophobicContact CE1-CD2 3.6Å; Y33-F77 AromaticContact CE1-CE2 3.58Å; Y33-F77 HydrophobicContact CE1-CE2 3.58Å; Y33-K80 HydrophobicContact CE1-CB 4.33Å; Y33-K80 HydrophobicContact CE1-CD 3.82Å; Y33-K80 HydrophobicContact CE1-CG 4.22Å; Y33-K80 WeakPolarHBondContact OH-CG 2.94Å; Y33-K80 PolarHBondContact OH-O 2.99Å; Y33-I81 WeakPolarHBondContact OH-CA 3.42Å; Y33-I81 PolarHBondContact OH-N 3.42Å; Y33-S84 WeakPolarHBondContact OH-CB 3.43Å; Y33-S84 PolarHBondContact OH-O 2.71Å; Y33-L86 HydrophobicContact CD2-CD1 4.13Å; Y33-L86 HydrophobicContact CG-CD1 4.12Å; Y33-C89 VanDerWaalsContact O-CB 3.25Å; Y33-C89 WeakPolarHBondContact O-CB 3.41Å
34D96.5Very high92.8Very high39 Ų3950.5 Ų50.521%0.20928%0.277CS..THydrogen-bonded Turntrans-113.321.9178.862.8-15.4000111.7D32 K80 S84 I88D32-D34 VanDerWaalsContact C-N 3.26Å; D32-D34 PolarHBondContact O-N 3.35Å; D34-K80 VanDerWaalsContact CG-CE 3.44Å; D34-K80 WeakPolarHBondContact OD1-CD 3.48Å; D34-K80 WeakPolarHBondContact OD1-CE 3.24Å; D34-K80 IonicContact OD1-NZ 3.9Å; D34-K80 PolarHBondContact OD1-NZ 3.46Å; D34-K80 WeakPolarHBondContact OD2-CE 3.39Å; D34-K80 IonicContact OD2-NZ 3.99Å; D34-S84 VanDerWaalsContact OD2-CB 3.28Å; D34-S84 WeakPolarHBondContact OD2-CB 3.44Å; D34-S84 PolarHBondContact OD2-OG 3.45Å; D34-I88 HydrophobicContact CB-CB 4.39Å; D34-I88 HydrophobicContact CB-CD1 4.01Å; D34-I88 HydrophobicContact CB-CG2 3.96Å
35L96.2Very high93.2Very high60 Ų6053.3 Ų53.331%0.31429%0.286SS..  trans-113.5149.9175.8-61.2-178.2000111.2D32 N44 R45D32-L35 HydrophobicContact CB-CD1 4.47Å; D32-L35 PolarHBondContact O-N 3.21Å; D32-L35 VanDerWaalsContact O-N 3.08Å; L35-N44 WeakPolarHBondContact O-CA 3.33Å; L35-R45 HydrophobicContact CB-CG 4.11Å; L35-R45 PolarHBondContact O-N 3.45Å
36V94.8Very high93.5Very high66 Ų6650.7 Ų50.740%0.427%0.272SS..EExtended strand (participates in β ladder)trans-102.3158.6170.8-61.50000111E41 M43 R45V36-E41 WeakPolarHBondContact CB-O 3.44Å; V36-E41 WeakPolarHBondContact CG1-O 3.37Å; V36-E41 HydrophobicContact CG2-CB 4.42Å; V36-M43 CarbonylContact C-O 3.55Å; V36-M43 VanDerWaalsContact CA-O 3.29Å; V36-M43 WeakPolarHBondContact CA-O 3.3Å; V36-R45 WeakPolarHBondContact O-CG 3.41Å; V36-R45 PolarHBondContact O-NE 3.48Å
37L88.7Confident93.7Very high25 Ų2553.2 Ų53.213%0.13128%0.284CS..EExtended strand (participates in β ladder)trans-63145177.5-67.7172.7000110.1E39 D40 M43 R45 E48L37-E39 PolarHBondContact O-N 3.49Å; L37-D40 HydrophobicContact CB-CB 4.13Å; L37-D40 WeakPolarHBondContact CB-O 2.91Å; L37-D40 HydrophobicContact CD1-CB 4.27Å; L37-D40 PolarHBondContact N-O 2.74Å; L37-D40 CarbonylContact O-C 3.53Å; L37-D40 PolarHBondContact O-N 2.64Å; L37-D40 VanDerWaalsContact O-O 3.14Å; L37-M43 HydrophobicContact CD1-CB 3.87Å; L37-M43 HydrophobicContact CD1-CG 3.64Å; L37-M43 HydrophobicContact CG-CB 4.35Å; L37-M43 HydrophobicContact CG-CG 4.31Å; L37-M43 PolarHBondContact N-O 3.27Å; L37-R45 HydrophobicContact CD2-CG 4.01Å; L37-R45 HydrophobicContact CG-CG 4.42Å; L37-E48 HydrophobicContact CD1-CB 4Å; L37-E48 HydrophobicContact CD1-CG 3.82Å; L37-E48 HydrophobicContact CD2-CB 4.21Å; L37-E48 HydrophobicContact CD2-CG 4.08Å; L37-E48 HydrophobicContact CG-CB 4.37Å; L37-E48 HydrophobicContact CG-CG 4.47Å
38A86.5Confident93.8Very high94 Ų9450.2 Ų50.278%0.77726%0.263SS*.THydrogen-bonded Turntrans-67.4-24.1173.400000112.3
39E85.2Confident93.9Very high104 Ų10451 Ų5149%0.48627%0.269SS..THydrogen-bonded Turntrans-90-12.7-178.7-57.7162.9163.200112.1L37L37-E39 PolarHBondContact O-N 3.49Å
40D88.6Confident94Very high49 Ų4951 Ų5126%0.26227%0.265SS..EExtended strand (participates in β ladder)trans-161.696.6-168-176-9.9000110R8 L37 E42 M43R8-D40 IonicContact CZ-OD2 2.75Å; R8-D40 IonicContact NH1-OD2 2.89Å; R8-D40 PolarHBondContact NH1-OD2 3.2Å; R8-D40 VanDerWaalsContact NH1-OD2 3.14Å; R8-D40 IonicContact NH2-OD2 3.47Å; L37-D40 HydrophobicContact CB-CB 4.13Å; L37-D40 WeakPolarHBondContact CB-O 2.91Å; L37-D40 HydrophobicContact CD1-CB 4.27Å; L37-D40 PolarHBondContact N-O 2.74Å; L37-D40 CarbonylContact O-C 3.53Å; L37-D40 PolarHBondContact O-N 2.64Å; L37-D40 VanDerWaalsContact O-O 3.14Å; D40-E42 PolarHBondContact O-N 3.14Å; D40-E42 PolarHBondContact OD1-N 3.15Å; D40-M43 HydrophobicContact CB-CB 4.11Å; D40-M43 PolarHBondContact O-N 3.32Å; D40-M43 PolarHBondContact OD1-N 3Å; D40-M43 WeakPolarHBondContact OD2-CB 3.44Å
41E89.5Confident93.9Very high168 Ų16857.1 Ų57.179%0.78529%0.292SS*.EExtended strand (participates in β ladder)trans-71.5-9.5-173.7-65.4-173.6174.100114.1V36V36-E41 WeakPolarHBondContact CB-O 3.44Å; V36-E41 WeakPolarHBondContact CG1-O 3.37Å; V36-E41 HydrophobicContact CG2-CB 4.42Å
42E90.6Very high93.8Very high188 Ų18857.6 Ų57.688%0.87929%0.293SS*.EExtended strand (participates in β ladder)trans-92.4-18.6175.9-62-172.916500112D40D40-E42 PolarHBondContact O-N 3.14Å; D40-E42 PolarHBondContact OD1-N 3.15Å
43M91.8Very high93.8Very high24 Ų2456.6 Ų56.612%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-96.8113-174.1-173.473-165.700111.5V36 L37 D40 H47 E48 K51V36-M43 CarbonylContact C-O 3.55Å; V36-M43 VanDerWaalsContact CA-O 3.29Å; V36-M43 WeakPolarHBondContact CA-O 3.3Å; L37-M43 HydrophobicContact CD1-CB 3.87Å; L37-M43 HydrophobicContact CD1-CG 3.64Å; L37-M43 HydrophobicContact CG-CB 4.35Å; L37-M43 HydrophobicContact CG-CG 4.31Å; L37-M43 PolarHBondContact N-O 3.27Å; D40-M43 HydrophobicContact CB-CB 4.11Å; D40-M43 PolarHBondContact O-N 3.32Å; D40-M43 PolarHBondContact OD1-N 3Å; D40-M43 WeakPolarHBondContact OD2-CB 3.44Å; M43-H47 HydrophobicContact CE-CB 3.77Å; M43-E48 VanDerWaalsContact CE-CA 3.48Å; M43-E48 HydrophobicContact CE-CB 3.77Å; M43-E48 VanDerWaalsContact CE-N 3.26Å; M43-E48 HydrophobicContact CG-CB 4.25Å; M43-K51 HydrophobicContact CE-CD 3.73Å
44N96.1Very high93.7Very high20 Ų2058.9 Ų58.911%0.10730%0.3CS..EExtended strand (participates in β ladder)trans-61.2135.6171.7-174.9-75.4000111.6Y33 L35 M46 H47 E48Y33-N44 PolarHBondContact O-ND2 2.93Å; L35-N44 WeakPolarHBondContact O-CA 3.33Å; N44-M46 PolarHBondContact O-N 3.43Å; N44-M46 VanDerWaalsContact OD1-CB 3.29Å; N44-M46 WeakPolarHBondContact OD1-CB 3.18Å; N44-M46 PolarHBondContact OD1-N 3.09Å; N44-H47 HydrophobicContact CB-CB 4.31Å; N44-H47 PolarHBondContact O-N 3.13Å; N44-H47 PolarHBondContact OD1-N 3.18Å; N44-E48 PolarHBondContact O-N 3.42Å
45R96Very high93.6Very high82 Ų8260 Ų6031%0.30931%0.311SS..Hα-helixtrans-65.2-37.5-176.4-67.5-166.4-177.6-168.7-1.7113.5D32 L35 V36 L37 E48 S49D32-R45 HydrophobicContact CB-CB 3.85Å; D32-R45 VanDerWaalsContact OD2-CD 3.32Å; D32-R45 WeakPolarHBondContact OD2-CD 3.45Å; D32-R45 IonicContact OD2-NH1 3.66Å; L35-R45 HydrophobicContact CB-CG 4.11Å; L35-R45 PolarHBondContact O-N 3.45Å; V36-R45 WeakPolarHBondContact O-CG 3.41Å; V36-R45 PolarHBondContact O-NE 3.48Å; L37-R45 HydrophobicContact CD2-CG 4.01Å; L37-R45 HydrophobicContact CG-CG 4.42Å; R45-E48 PolarHBondContact O-N 2.97Å; R45-S49 WeakPolarHBondContact O-CB 3.49Å; R45-S49 PolarHBondContact O-N 2.67Å
46M97.1Very high93.5Very high1 Ų157.6 Ų57.61%0.00530%0.299CS..Hα-helixtrans-65.8-44.7178-175.863.775.700110.6V28 N44 E48 S49 M50 Y90 I106 F110V28-M46 HydrophobicContact CG1-CE 4.21Å; V28-M46 HydrophobicContact CG1-SD 3.84Å; N44-M46 PolarHBondContact O-N 3.43Å; N44-M46 VanDerWaalsContact OD1-CB 3.29Å; N44-M46 WeakPolarHBondContact OD1-CB 3.18Å; N44-M46 PolarHBondContact OD1-N 3.09Å; M46-E48 VanDerWaalsContact C-N 3.31Å; M46-E48 PolarHBondContact O-N 3.09Å; M46-S49 WeakPolarHBondContact O-CB 3.48Å; M46-S49 PolarHBondContact O-N 3.33Å; M46-S49 VanDerWaalsContact O-N 3.16Å; M46-M50 WeakPolarHBondContact O-CG 3.26Å; M46-M50 PolarHBondContact O-N 2.94Å; M46-Y90 HydrophobicContact CG-CE2 4.3Å; M46-Y90 VanDerWaalsContact CG-OH 3.23Å; M46-Y90 WeakPolarHBondContact CG-OH 3.38Å; M46-I106 HydrophobicContact CE-CD1 4.23Å; M46-I106 HydrophobicContact CE-CG2 4.13Å; M46-I106 HydrophobicContact SD-CG2 4.25Å; M46-F110 HydrophobicContact SD-CE2 3.59Å; M46-F110 VanDerWaalsContact SD-CE2 3.59Å; M46-F110 HydrophobicContact SD-CZ 3.85Å
47H96.6Very high93.4Very high68 Ų6854.4 Ų54.432%0.31528%0.279SS..Hα-helixtrans-61.3-37.8174.2-68.7143000112.9M43 N44 M50 K51 C89M43-H47 HydrophobicContact CE-CB 3.77Å; N44-H47 HydrophobicContact CB-CB 4.31Å; N44-H47 PolarHBondContact O-N 3.13Å; N44-H47 PolarHBondContact OD1-N 3.18Å; H47-M50 PolarHBondContact O-N 3.2Å; H47-K51 WeakPolarHBondContact O-CG 3.28Å; H47-K51 PolarHBondContact O-N 3.48Å; H47-C89 PolarHBondContact CE1-O 3.2Å; H47-C89 PolarHBondContact NE2-O 3.17Å; H47-C89 VanDerWaalsContact NE2-O 3.15Å
48E95.3Very high93.7Very high13 Ų1354.9 Ų54.96%0.06128%0.282CS..Hα-helixtrans-65.8-42.1174.8177.966.8-171.200111.2R8 R11 L37 M43 N44 R45 M46 M50 K51 L52R8-E48 IonicContact CZ-OE1 2.64Å; R8-E48 IonicContact CZ-OE2 2.84Å; R8-E48 IonicContact NE-OE1 3.94Å; R8-E48 PolarHBondContact NE-OE1 3.43Å; R8-E48 VanDerWaalsContact NE-OE1 3.14Å; R8-E48 IonicContact NE-OE2 3.59Å; R8-E48 IonicContact NH2-OE1 3.14Å; R8-E48 IonicContact NH2-OE2 2.72Å; R8-E48 PolarHBondContact NH2-OE2 2.96Å; R11-E48 IonicContact CZ-OE1 3.58Å; R11-E48 VanDerWaalsContact CZ-OE1 3.28Å; R11-E48 IonicContact NH1-OE1 3.26Å; R11-E48 PolarHBondContact NH1-OE1 3.25Å; R11-E48 IonicContact NH2-OE1 2.56Å; R11-E48 PolarHBondContact NH2-OE1 3.34Å; L37-E48 HydrophobicContact CD1-CB 4Å; L37-E48 HydrophobicContact CD1-CG 3.82Å; L37-E48 HydrophobicContact CD2-CB 4.21Å; L37-E48 HydrophobicContact CD2-CG 4.08Å; L37-E48 HydrophobicContact CG-CB 4.37Å; L37-E48 HydrophobicContact CG-CG 4.47Å; M43-E48 VanDerWaalsContact CE-CA 3.48Å; M43-E48 HydrophobicContact CE-CB 3.77Å; M43-E48 VanDerWaalsContact CE-N 3.26Å; M43-E48 HydrophobicContact CG-CB 4.25Å; N44-E48 PolarHBondContact O-N 3.42Å; R45-E48 PolarHBondContact O-N 2.97Å; M46-E48 VanDerWaalsContact C-N 3.31Å; M46-E48 PolarHBondContact O-N 3.09Å; E48-M50 VanDerWaalsContact C-N 3.34Å; E48-M50 PolarHBondContact O-N 3.24Å; E48-K51 PolarHBondContact O-N 3.31Å; E48-L52 WeakPolarHBondContact O-CB 3.27Å; E48-L52 PolarHBondContact O-N 3.04Å
49S96.7Very high93.9Very high20 Ų2052.6 Ų52.614%0.1426%0.257CS..Hα-helixtrans-60.7-43.5175.6-170.10000111.6R45 M46 L52 F53R45-S49 WeakPolarHBondContact O-CB 3.49Å; R45-S49 PolarHBondContact O-N 2.67Å; M46-S49 WeakPolarHBondContact O-CB 3.48Å; M46-S49 PolarHBondContact O-N 3.33Å; M46-S49 VanDerWaalsContact O-N 3.16Å; S49-L52 PolarHBondContact O-N 3.37Å; S49-F53 WeakPolarHBondContact O-CB 3.41Å; S49-F53 PolarHBondContact O-N 3.11Å
50M97.7Very high94.1Very high23 Ų2355.5 Ų55.511%0.11327%0.268CS..Hα-helixtrans-62.6-46174.9-72.5179.973.400112.2M46 H47 E48 L52 F53 D54 Y90 Q109 F110 L113M46-M50 WeakPolarHBondContact O-CG 3.26Å; M46-M50 PolarHBondContact O-N 2.94Å; H47-M50 PolarHBondContact O-N 3.2Å; E48-M50 VanDerWaalsContact C-N 3.34Å; E48-M50 PolarHBondContact O-N 3.24Å; M50-L52 VanDerWaalsContact C-N 3.29Å; M50-L52 PolarHBondContact O-N 2.88Å; M50-F53 PolarHBondContact O-N 3.39Å; M50-D54 PolarHBondContact O-N 3.16Å; M50-Y90 HydrophobicContact SD-CE1 3.92Å; M50-Y90 PolarHBondContact SD-OH 2.81Å; M50-Q109 HydrophobicContact CE-CB 3.8Å; M50-Q109 HydrophobicContact SD-CB 4.45Å; M50-F110 HydrophobicContact CB-CE1 4.43Å; M50-F110 HydrophobicContact CB-CZ 4.44Å; M50-F110 HydrophobicContact CG-CD1 4.43Å; M50-F110 HydrophobicContact CG-CD2 4.43Å; M50-F110 HydrophobicContact CG-CE1 3.84Å; M50-F110 HydrophobicContact CG-CE2 3.84Å; M50-F110 HydrophobicContact CG-CZ 3.5Å; M50-F110 VanDerWaalsContact CG-CZ 3.5Å; M50-L113 HydrophobicContact CB-CD1 3.95Å; M50-L113 HydrophobicContact CE-CD1 4.09Å; M50-L113 HydrophobicContact CG-CD1 4.3Å; M50-L113 WeakPolarHBondContact O-CD1 3.13Å
51K96.1Very high94Very high128 Ų12859.4 Ų59.456%0.55728%0.279SS*.Hα-helixtrans-58.6-42.7175.3-75.9177.9-176174.70111.7M43 H47 E48 S55M43-K51 HydrophobicContact CE-CD 3.73Å; H47-K51 WeakPolarHBondContact O-CG 3.28Å; H47-K51 PolarHBondContact O-N 3.48Å; E48-K51 PolarHBondContact O-N 3.31Å; K51-S55 PolarHBondContact O-N 2.84Å; K51-S55 VanDerWaalsContact O-N 3.16Å
52L94.9Very high94Very high16 Ų1651.7 Ų51.78%0.08424%0.243CC..Hα-helixtrans-65-45.8177.1-17758.6000111.1W14 F26 E48 S49 M50 S55 I56W14-L52 HydrophobicContact CH2-CD1 3.73Å; W14-L52 HydrophobicContact CH2-CD2 3.9Å; W14-L52 HydrophobicContact CH2-CG 4.1Å; W14-L52 HydrophobicContact CZ3-CD1 3.8Å; F26-L52 HydrophobicContact CE2-CD2 3.96Å; F26-L52 HydrophobicContact CE2-CG 3.92Å; F26-L52 HydrophobicContact CZ-CB 4.27Å; F26-L52 HydrophobicContact CZ-CD2 4.12Å; F26-L52 HydrophobicContact CZ-CG 4.11Å; E48-L52 WeakPolarHBondContact O-CB 3.27Å; E48-L52 PolarHBondContact O-N 3.04Å; S49-L52 PolarHBondContact O-N 3.37Å; M50-L52 VanDerWaalsContact C-N 3.29Å; M50-L52 PolarHBondContact O-N 2.88Å; L52-S55 PolarHBondContact O-N 3.2Å; L52-S55 PolarHBondContact O-OG 3.35Å; L52-I56 HydrophobicContact CD1-CD1 4.36Å; L52-I56 HydrophobicContact CG-CD1 4.18Å; L52-I56 WeakPolarHBondContact O-CG1 3.46Å; L52-I56 PolarHBondContact O-N 3.23Å; L52-I56 VanDerWaalsContact O-N 3.11Å
53F96.7Very high93.8Very high0 Ų044.7 Ų44.70%021%0.213CC..Hα-helixtrans-59.6-47177.3-174.9-102.2000112.3F26 S49 M50 S55 I56 C57 I67 L69 F110 L113 I122F26-F53 HydrophobicContact CB-CD2 4.18Å; F26-F53 HydrophobicContact CB-CE2 4.28Å; F26-F53 HydrophobicContact CD1-CB 4.35Å; F26-F53 AromaticContact CD1-CD2 3.49Å; F26-F53 HydrophobicContact CD1-CD2 3.49Å; F26-F53 VanDerWaalsContact CD1-CD2 3.49Å; F26-F53 HydrophobicContact CD1-CE2 4.23Å; F26-F53 HydrophobicContact CD1-CG 4.34Å; F26-F53 HydrophobicContact CD2-CD2 4.3Å; F26-F53 HydrophobicContact CE1-CB 3.81Å; F26-F53 AromaticContact CE1-CD2 3.85Å; F26-F53 HydrophobicContact CE1-CD2 3.85Å; F26-F53 HydrophobicContact CE1-CG 4.27Å; F26-F53 AromaticContact CG-CD2 3.72Å; F26-F53 HydrophobicContact CG-CD2 3.72Å; F26-F53 HydrophobicContact CG-CE2 4.31Å; F26-F53 HydrophobicContact CZ-CB 3.95Å; F26-F53 HydrophobicContact CZ-CD2 4.4Å; S49-F53 WeakPolarHBondContact O-CB 3.41Å; S49-F53 PolarHBondContact O-N 3.11Å; M50-F53 PolarHBondContact O-N 3.39Å; F53-S55 VanDerWaalsContact C-N 3.26Å; F53-S55 PolarHBondContact O-N 2.95Å; F53-I56 PolarHBondContact O-N 2.84Å; F53-I56 VanDerWaalsContact O-N 3.11Å; F53-C57 HydrophobicContact CD1-CB 4.31Å; F53-C57 HydrophobicContact CE1-CB 4.02Å; F53-C57 HydrophobicContact CZ-CB 4.22Å; F53-C57 VanDerWaalsContact O-CB 3.24Å; F53-C57 WeakPolarHBondContact O-CB 3.48Å; F53-C57 PolarHBondContact O-N 3.34Å; F53-I67 HydrophobicContact CE2-CG2 3.88Å; F53-I67 HydrophobicContact CZ-CG2 4.34Å; F53-L69 HydrophobicContact CD2-CD1 4.33Å; F53-L69 HydrophobicContact CE2-CD1 4.06Å; F53-F110 HydrophobicContact CB-CD1 3.9Å; F53-F110 HydrophobicContact CB-CE1 3.88Å; F53-F110 AromaticContact CD1-CD1 3.81Å; F53-F110 HydrophobicContact CD1-CD1 3.81Å; F53-F110 HydrophobicContact CD2-CD1 4.34Å; F53-F110 HydrophobicContact CE1-CD1 4.42Å; F53-F110 VanDerWaalsContact CE1-O 3.3Å; F53-F110 WeakPolarHBondContact CE1-O 3.38Å; F53-F110 AromaticContact CG-CD1 3.74Å; F53-F110 HydrophobicContact CG-CD1 3.74Å; F53-F110 HydrophobicContact CG-CE1 4.21Å; F53-L113 HydrophobicContact CD1-CB 4.05Å; F53-L113 HydrophobicContact CD1-CD1 3.92Å; F53-L113 HydrophobicContact CE1-CB 4.33Å; F53-I122 HydrophobicContact CE1-CD1 3.93Å; F53-I122 HydrophobicContact CZ-CD1 3.62Å; F53-I122 HydrophobicContact CZ-CG1 4.27Å; F53-I122 HydrophobicContact CZ-CG2 4.38Å
54D96.8Very high93.3Very high48 Ų4850.4 Ų50.426%0.25724%0.244SC..Hα-helixtrans-54.5-44.2175.1178.454.3000111M50 I56 N58 L113 K115M50-D54 PolarHBondContact O-N 3.16Å; D54-I56 VanDerWaalsContact C-N 3.32Å; D54-I56 PolarHBondContact O-N 3.11Å; D54-N58 VanDerWaalsContact O-CB 3.3Å; D54-N58 WeakPolarHBondContact O-CB 3.23Å; D54-N58 PolarHBondContact O-N 3.46Å; D54-N58 VanDerWaalsContact O-N 3.08Å; D54-N58 PolarHBondContact O-ND2 3.18Å; D54-N58 PolarHBondContact OD1-ND2 3.15Å; D54-L113 HydrophobicContact CB-CB 4.5Å; D54-L113 HydrophobicContact CB-CD1 4.43Å; D54-L113 HydrophobicContact CB-CD2 4.33Å; D54-K115 IonicContact OD1-NZ 2.93Å; D54-K115 PolarHBondContact OD1-NZ 3.21Å; D54-K115 IonicContact OD2-NZ 3.6Å
55S94.4Very high92.8Very high62 Ų6250.2 Ų50.243%0.43424%0.243SC..Hα-helixtrans-65.6-31.318080.70000114K51 L52 F53 N59K51-S55 PolarHBondContact O-N 2.84Å; K51-S55 VanDerWaalsContact O-N 3.16Å; L52-S55 PolarHBondContact O-N 3.2Å; L52-S55 PolarHBondContact O-OG 3.35Å; F53-S55 VanDerWaalsContact C-N 3.26Å; F53-S55 PolarHBondContact O-N 2.95Å; S55-N59 WeakPolarHBondContact O-CB 3.37Å; S55-N59 PolarHBondContact O-N 2.9Å
56I92.7Very high92.3Very high10 Ų1047.4 Ų47.45%0.05124%0.237CC..Hα-helixtrans-83.1-53.1178.2-64.1170.2000110.1W14 I24 F26 L52 F53 D54 N58 N59 F62 I67W14-I56 HydrophobicContact CH2-CD1 3.81Å; W14-I56 HydrophobicContact CZ3-CD1 3.48Å; W14-I56 VanDerWaalsContact CZ3-CD1 3.48Å; W14-I56 HydrophobicContact CZ3-CG1 3.83Å; I24-I56 HydrophobicContact CD1-CG2 3.73Å; I24-I56 HydrophobicContact CG2-CG2 4.35Å; F26-I56 HydrophobicContact CD2-CD1 3.58Å; F26-I56 HydrophobicContact CE2-CD1 3.49Å; F26-I56 VanDerWaalsContact CE2-CD1 3.49Å; L52-I56 HydrophobicContact CD1-CD1 4.36Å; L52-I56 HydrophobicContact CG-CD1 4.18Å; L52-I56 WeakPolarHBondContact O-CG1 3.46Å; L52-I56 PolarHBondContact O-N 3.23Å; L52-I56 VanDerWaalsContact O-N 3.11Å; F53-I56 PolarHBondContact O-N 2.84Å; F53-I56 VanDerWaalsContact O-N 3.11Å; D54-I56 VanDerWaalsContact C-N 3.32Å; D54-I56 PolarHBondContact O-N 3.11Å; I56-N58 PolarHBondContact O-N 3.13Å; I56-N59 WeakPolarHBondContact O-CB 3.25Å; I56-N59 PolarHBondContact O-N 3.38Å; I56-F62 HydrophobicContact CG2-CD2 3.92Å; I56-F62 HydrophobicContact CG2-CE2 4.09Å; I56-I67 HydrophobicContact CG2-CD1 4.47Å
57C94.3Very high92.1Very high0 Ų047.4 Ų47.40%024%0.236CC..Hα-helixtrans-56.6-39.9-175.9-175.90000111.5F53 I67 R116 K120F53-C57 HydrophobicContact CD1-CB 4.31Å; F53-C57 HydrophobicContact CE1-CB 4.02Å; F53-C57 HydrophobicContact CZ-CB 4.22Å; F53-C57 VanDerWaalsContact O-CB 3.24Å; F53-C57 WeakPolarHBondContact O-CB 3.48Å; F53-C57 PolarHBondContact O-N 3.34Å; C57-I67 HydrophobicContact CB-CD1 4.01Å; C57-R116 PolarHBondContact O-NH2 3.35Å; C57-K120 PolarHBondContact O-NZ 3.11Å
58N94.1Very high91.8Very high35 Ų3544.2 Ų44.219%0.18722%0.222CC..THydrogen-bonded Turntrans-98.310.6-178.8-59.5-53.7000113.7D54 I56 L113 K115D54-N58 VanDerWaalsContact O-CB 3.3Å; D54-N58 WeakPolarHBondContact O-CB 3.23Å; D54-N58 PolarHBondContact O-N 3.46Å; D54-N58 VanDerWaalsContact O-N 3.08Å; D54-N58 PolarHBondContact O-ND2 3.18Å; D54-N58 PolarHBondContact OD1-ND2 3.15Å; I56-N58 PolarHBondContact O-N 3.13Å; N58-L113 PolarHBondContact ND2-O 3.27Å; N58-K115 HydrophobicContact CB-CD 4.46Å; N58-K115 WeakPolarHBondContact OD1-CB 3.42Å; N58-K115 PolarHBondContact OD1-N 2.84Å
59N90.7Very high91.7Very high46 Ų4643.6 Ų43.625%0.24622%0.219CC..  trans-67.5139.6173.9-158.7-56.3000110.6S55 I56 W61 F62 R116S55-N59 WeakPolarHBondContact O-CB 3.37Å; S55-N59 PolarHBondContact O-N 2.9Å; I56-N59 WeakPolarHBondContact O-CB 3.25Å; I56-N59 PolarHBondContact O-N 3.38Å; N59-W61 VanDerWaalsContact C-N 3.27Å; N59-W61 PolarHBondContact O-N 2.89Å; N59-W61 PolarHBondContact OD1-N 2.9Å; N59-F62 HydrophobicContact CB-CB 4.4Å; N59-F62 HydrophobicContact CB-CD2 3.69Å; N59-F62 HydrophobicContact CB-CE2 4.47Å; N59-F62 HydrophobicContact CB-CG 4.37Å; N59-F62 PolarHBondContact O-N 3.35Å; N59-R116 PolarHBondContact O-NH2 2.87Å; N59-R116 VanDerWaalsContact O-NH2 3.14Å
60K89.4Confident91.6Very high165 Ų16543.2 Ų43.272%0.71722%0.215SC*.G310 helixtrans-63.7-30.6175.856.8169.8-176.6-178.60113.2F62 T63K60-F62 PolarHBondContact O-N 3.24Å; K60-T63 PolarHBondContact O-OG1 2.98Å
61W87.5Confident91.5Very high130 Ų13042.1 Ų42.149%0.49221%0.21SC..G310 helixtrans-75.4-14.9178.5-67.15.4000112.8I15 F18 N59I15-W61 HydrophobicContact CD1-CH2 3.82Å; I15-W61 HydrophobicContact CD1-CZ3 4.3Å; I15-W61 HydrophobicContact CG1-CH2 3.68Å; I15-W61 HydrophobicContact CG1-CZ3 3.65Å; F18-W61 HydrophobicContact CB-CE3 3.37Å; F18-W61 HydrophobicContact CB-CZ3 3.75Å; F18-W61 HydrophobicContact CD2-CD2 4.22Å; F18-W61 AromaticContact CD2-CE3 3.36Å; F18-W61 HydrophobicContact CD2-CE3 3.36Å; F18-W61 AromaticContact CD2-CZ3 3.72Å; F18-W61 HydrophobicContact CD2-CZ3 3.72Å; F18-W61 AromaticContact CG-CE3 3.85Å; F18-W61 HydrophobicContact CG-CE3 3.85Å; F18-W61 HydrophobicContact CG-CZ3 4.18Å; N59-W61 VanDerWaalsContact C-N 3.27Å; N59-W61 PolarHBondContact O-N 2.89Å; N59-W61 PolarHBondContact OD1-N 2.9Å
62F87.9Confident91.4Very high7 Ų737.4 Ų37.43%0.03119%0.19CC..G310 helixtrans-114.928.1179.6-57.4-45.8000112.3F18 I24 I56 N59 K60 D64 T65 K120F18-F62 HydrophobicContact CB-CE1 4.2Å; F18-F62 HydrophobicContact CB-CZ 4.2Å; F18-F62 HydrophobicContact CD1-CE1 4.04Å; F18-F62 HydrophobicContact CD1-CE2 4.13Å; F18-F62 AromaticContact CD1-CZ 3.28Å; F18-F62 HydrophobicContact CD1-CZ 3.28Å; F18-F62 HydrophobicContact CD2-CE2 4.41Å; F18-F62 HydrophobicContact CD2-CZ 4.05Å; F18-F62 AromaticContact CE1-CE2 3.81Å; F18-F62 HydrophobicContact CE1-CE2 3.81Å; F18-F62 AromaticContact CE1-CZ 3.38Å; F18-F62 HydrophobicContact CE1-CZ 3.38Å; F18-F62 HydrophobicContact CE2-CE2 4.15Å; F18-F62 HydrophobicContact CE2-CZ 4.16Å; F18-F62 HydrophobicContact CG-CE1 4.12Å; F18-F62 HydrophobicContact CG-CE2 4.4Å; F18-F62 AromaticContact CG-CZ 3.62Å; F18-F62 HydrophobicContact CG-CZ 3.62Å; F18-F62 AromaticContact CZ-CE2 3.82Å; F18-F62 HydrophobicContact CZ-CE2 3.82Å; F18-F62 AromaticContact CZ-CZ 3.84Å; F18-F62 HydrophobicContact CZ-CZ 3.84Å; I24-F62 HydrophobicContact CD1-CB 4.12Å; I24-F62 HydrophobicContact CD1-CD1 3.65Å; I24-F62 HydrophobicContact CD1-CD2 3.66Å; I24-F62 HydrophobicContact CD1-CE1 3.79Å; I24-F62 HydrophobicContact CD1-CE2 3.8Å; I24-F62 HydrophobicContact CD1-CG 3.55Å; I24-F62 HydrophobicContact CD1-CZ 3.81Å; I56-F62 HydrophobicContact CG2-CD2 3.92Å; I56-F62 HydrophobicContact CG2-CE2 4.09Å; N59-F62 HydrophobicContact CB-CB 4.4Å; N59-F62 HydrophobicContact CB-CD2 3.69Å; N59-F62 HydrophobicContact CB-CE2 4.47Å; N59-F62 HydrophobicContact CB-CG 4.37Å; N59-F62 PolarHBondContact O-N 3.35Å; K60-F62 PolarHBondContact O-N 3.24Å; F62-D64 VanDerWaalsContact C-N 3.35Å; F62-D64 PolarHBondContact O-N 2.64Å; F62-T65 HydrophobicContact CD1-CG2 4.48Å; F62-T65 PolarHBondContact O-N 2.95Å; F62-K120 PolarHBondContact O-NZ 3.44Å
63T86.6Confident91.3Very high41 Ų4140 Ų4025%0.25220%0.201SC..SBendtrans-61-46.4-177-60.80000111.2K60 R116K60-T63 PolarHBondContact O-OG1 2.98Å; T63-R116 VanDerWaalsContact CG2-NH1 3.31Å; T63-R116 PolarHBondContact OG1-NH1 3.4Å
64D82.2Confident91.2Very high144 Ų14443 Ų4377%0.7721%0.214SC*.SBendtrans-1014-177.2-48.3-50.1000112.4F62F62-D64 VanDerWaalsContact C-N 3.35Å; F62-D64 PolarHBondContact O-N 2.64Å
65T86Confident91Very high15 Ų1543.7 Ų43.79%0.09222%0.218CC..  trans-83.7120.9179.8-50.80000110.5V21 I24 F62 K120V21-T65 HydrophobicContact CB-CG2 4.38Å; V21-T65 HydrophobicContact CG1-CG2 3.91Å; I24-T65 HydrophobicContact CD1-CG2 4.07Å; I24-T65 HydrophobicContact CG1-CG2 3.82Å; F62-T65 HydrophobicContact CD1-CG2 4.48Å; F62-T65 PolarHBondContact O-N 2.95Å; T65-K120 WeakPolarHBondContact O-CE 3.48Å; T65-K120 PolarHBondContact O-NZ 3.09Å
66S85.5Confident91.1Very high24 Ų2445.2 Ų45.217%0.16822%0.221CC..EExtended strand (participates in β ladder)trans-61.7143.7173.7-54.20000111.6A23 I24A23-S66 CarbonylContact C-O 3.59Å; A23-S66 WeakPolarHBondContact CA-O 3.43Å; I24-S66 PolarHBondContact N-O 3.37Å
67I91Very high91.3Very high0 Ų044.8 Ų44.80%022%0.218CC..EExtended strand (participates in β ladder)trans-119.4129.9178.4-61.7-174.8000109.9I24 F53 I56 C57 K120 I122 Y123I24-I67 HydrophobicContact CB-CG1 4.32Å; I24-I67 CarbonylContact O-C 3.59Å; I24-I67 WeakPolarHBondContact O-CA 3.25Å; F53-I67 HydrophobicContact CE2-CG2 3.88Å; F53-I67 HydrophobicContact CZ-CG2 4.34Å; I56-I67 HydrophobicContact CG2-CD1 4.47Å; C57-I67 HydrophobicContact CB-CD1 4.01Å; I67-K120 VanDerWaalsContact CD1-CE 3.43Å; I67-K120 VanDerWaalsContact CD1-NZ 3.33Å; I67-I122 HydrophobicContact CB-CG1 4.43Å; I67-I122 WeakPolarHBondContact O-CA 3.27Å; I67-Y123 PolarHBondContact O-N 3.41Å
68I91.6Very high91.4Very high2 Ų248.3 Ų48.31%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-105.3117.6171-45179.5000106.8I24 I25 F26 F70 Y123 V142 I146I24-I68 PolarHBondContact O-N 3.22Å; I25-I68 CarbonylContact C-O 3.59Å; I25-I68 WeakPolarHBondContact CA-O 3.41Å; I25-I68 HydrophobicContact CG1-CD1 4.28Å; F26-I68 PolarHBondContact N-O 2.95Å; I68-F70 HydrophobicContact CG2-CD1 3.93Å; I68-F70 HydrophobicContact CG2-CE1 3.45Å; I68-F70 VanDerWaalsContact CG2-CE1 3.45Å; I68-F70 HydrophobicContact CG2-CZ 4.15Å; I68-Y123 CarbonylContact C-O 3.57Å; I68-Y123 WeakPolarHBondContact CA-O 3.31Å; I68-V142 HydrophobicContact CB-CG1 4.48Å; I68-V142 HydrophobicContact CD1-CB 3.96Å; I68-V142 HydrophobicContact CD1-CG1 3.35Å; I68-V142 HydrophobicContact CG1-CG1 3.54Å; I68-V142 HydrophobicContact CG2-CG1 4.24Å; I68-I146 HydrophobicContact CD1-CD1 3.91Å; I68-I146 HydrophobicContact CG1-CD1 3.89Å
69L93.8Very high91.5Very high0 Ų051.3 Ų51.30%025%0.248CC..EExtended strand (participates in β ladder)trans-101.4112.7-179.9177.263.7000109.8F26 V28 F53 L71 F110 I122 Y123 T124 H125F26-L69 HydrophobicContact CB-CD1 4.41Å; F26-L69 HydrophobicContact CD1-CD1 3.77Å; V28-L69 HydrophobicContact CG2-CD1 3.69Å; F53-L69 HydrophobicContact CD2-CD1 4.33Å; F53-L69 HydrophobicContact CE2-CD1 4.06Å; L69-L71 HydrophobicContact CD1-CD2 4.42Å; L69-L71 HydrophobicContact CD2-CD2 4.2Å; L69-L71 HydrophobicContact CG-CD2 4.17Å; L69-L71 HydrophobicContact CG-CG 4.42Å; L69-F110 HydrophobicContact CD1-CD1 4.37Å; L69-F110 HydrophobicContact CD2-CB 3.52Å; L69-F110 HydrophobicContact CD2-CD1 4.43Å; L69-F110 HydrophobicContact CD2-CG 4.05Å; L69-I122 HydrophobicContact CB-CG2 3.66Å; L69-I122 HydrophobicContact CD2-CG2 4.32Å; L69-Y123 PolarHBondContact N-O 2.87Å; L69-T124 HydrophobicContact CB-CG2 4.41Å; L69-T124 HydrophobicContact CD2-CG2 4.01Å; L69-T124 HydrophobicContact CG-CG2 4.24Å; L69-T124 CarbonylContact O-C 3.37Å; L69-T124 WeakPolarHBondContact O-CA 3.43Å; L69-H125 PolarHBondContact O-N 2.51Å
70F93.9Very high91.9Very high12 Ų1251.6 Ų51.65%0.05325%0.247CC..EExtended strand (participates in β ladder)trans-95.1109.4173.2-73.3-8.3000110.5I25 F26 V28 I68 N72 H125 T127 V135 V138I25-F70 HydrophobicContact CG2-CD2 3.68Å; I25-F70 HydrophobicContact CG2-CE2 3.7Å; I25-F70 HydrophobicContact CG2-CG 4.23Å; I25-F70 HydrophobicContact CG2-CZ 4.26Å; F26-F70 PolarHBondContact O-N 3.43Å; V28-F70 PolarHBondContact N-O 2.8Å; I68-F70 HydrophobicContact CG2-CD1 3.93Å; I68-F70 HydrophobicContact CG2-CE1 3.45Å; I68-F70 VanDerWaalsContact CG2-CE1 3.45Å; I68-F70 HydrophobicContact CG2-CZ 4.15Å; F70-N72 PolarHBondContact O-N 3.36Å; F70-H125 WeakPolarHBondContact CA-O 3.39Å; F70-H125 HydrophobicContact CD1-CB 4.13Å; F70-H125 HydrophobicContact CE1-CB 4.3Å; F70-T127 HydrophobicContact CB-CG2 4.42Å; F70-T127 HydrophobicContact CD1-CG2 3.97Å; F70-T127 HydrophobicContact CD2-CG2 4.44Å; F70-T127 HydrophobicContact CE1-CG2 4.32Å; F70-T127 HydrophobicContact CG-CG2 4.03Å; F70-V135 HydrophobicContact CE2-CG1 4.14Å; F70-V138 HydrophobicContact CE1-CG1 3.61Å; F70-V138 HydrophobicContact CZ-CG1 4.07Å
71L95.8Very high92.3Very high0 Ų044 Ų440%021%0.214CC..EExtended strand (participates in β ladder)trans-84.484.7167-61.3-178.4000108.1V28 L30 L69 Q107 F110 T124 H125 F126 T127V28-L71 HydrophobicContact CB-CD2 3.96Å; V28-L71 HydrophobicContact CG1-CD2 4.32Å; V28-L71 HydrophobicContact CG2-CD2 4.26Å; L30-L71 HydrophobicContact CD1-CB 3.98Å; L30-L71 HydrophobicContact CD2-CB 3.97Å; L30-L71 HydrophobicContact CD2-CD1 4.45Å; L30-L71 HydrophobicContact CD2-CD2 4.17Å; L30-L71 HydrophobicContact CD2-CG 4.42Å; L30-L71 HydrophobicContact CG-CB 3.93Å; L69-L71 HydrophobicContact CD1-CD2 4.42Å; L69-L71 HydrophobicContact CD2-CD2 4.2Å; L69-L71 HydrophobicContact CG-CD2 4.17Å; L69-L71 HydrophobicContact CG-CG 4.42Å; L71-Q107 HydrophobicContact CD1-CB 3.68Å; L71-Q107 HydrophobicContact CD1-CG 4.36Å; L71-F110 HydrophobicContact CD2-CD2 4.34Å; L71-T124 HydrophobicContact CD1-CG2 3.64Å; L71-T124 HydrophobicContact CG-CG2 3.91Å; L71-H125 PolarHBondContact N-O 2.96Å; L71-F126 HydrophobicContact CB-CD1 3.78Å; L71-F126 HydrophobicContact CB-CE1 3.95Å; L71-F126 HydrophobicContact CD1-CD1 4.1Å; L71-F126 HydrophobicContact CD1-CE1 3.45Å; L71-F126 VanDerWaalsContact CD1-CE1 3.45Å; L71-F126 HydrophobicContact CD1-CZ 3.71Å; L71-F126 HydrophobicContact CG-CE1 4.35Å; L71-F126 WeakPolarHBondContact O-CA 3.13Å; L71-T127 PolarHBondContact O-N 2.8Å
72N93.3Very high92.7Very high29 Ų2943.8 Ų43.816%0.15522%0.216CC..EExtended strand (participates in β ladder)trans-90.1170.1-170-167.619.4000112.4V28 L30 F70 K74 T127 A129V28-N72 WeakPolarHBondContact O-CA 3.35Å; V28-N72 WeakPolarHBondContact O-CB 3.45Å; V28-N72 PolarHBondContact O-N 3.36Å; L30-N72 WeakPolarHBondContact CB-O 3.21Å; L30-N72 PolarHBondContact N-O 2.87Å; F70-N72 PolarHBondContact O-N 3.36Å; N72-K74 VanDerWaalsContact C-N 3.27Å; N72-K74 PolarHBondContact O-N 2.89Å; N72-T127 CarbonylContact C-O 3.51Å; N72-T127 WeakPolarHBondContact CA-O 3.43Å; N72-T127 WeakPolarHBondContact CA-OG1 3.39Å; N72-T127 WeakPolarHBondContact CB-OG1 3.34Å; N72-T127 PolarHBondContact OD1-O 3.48Å; N72-T127 PolarHBondContact OD1-OG1 3.35Å; N72-A129 PolarHBondContact OD1-N 3.49Å
73K94Very high93.1Very high71 Ų7152 Ų5231%0.30925%0.252SS..  trans59.936.5-175.9-50.5-179.8-173173.80112.2A29 S31 D32 D75 L76 F77 T127A29-K73 HydrophobicContact CB-CD 3.74Å; A29-K73 HydrophobicContact CB-CG 4.43Å; S31-K73 WeakPolarHBondContact OG-CD 3.4Å; D32-K73 IonicContact OD1-NZ 3.76Å; D32-K73 PolarHBondContact OD1-NZ 3.14Å; K73-D75 VanDerWaalsContact CA-OD1 3.3Å; K73-D75 WeakPolarHBondContact CA-OD1 3.23Å; K73-D75 PolarHBondContact O-N 3.12Å; K73-L76 HydrophobicContact CB-CB 4.31Å; K73-L76 HydrophobicContact CB-CD1 4.34Å; K73-L76 HydrophobicContact CD-CD1 4.2Å; K73-L76 PolarHBondContact O-N 3.48Å; K73-F77 PolarHBondContact O-N 2.79Å; K73-T127 PolarHBondContact N-O 3.14Å
74K93.8Very high93.6Very high61 Ų6151 Ų5127%0.26525%0.247SC..Hα-helixtrans-59.2-32.7179.877.8-173.4-171.677.80112.3L30 N72 F77 E78 Y99 F126 T127 C128L30-K74 HydrophobicContact CD1-CB 4.23Å; N72-K74 VanDerWaalsContact C-N 3.27Å; N72-K74 PolarHBondContact O-N 2.89Å; K74-F77 PolarHBondContact O-N 2.96Å; K74-E78 WeakPolarHBondContact O-CB 3.38Å; K74-E78 PolarHBondContact O-N 3.35Å; K74-Y99 HydrophobicContact CB-CE2 4.19Å; K74-F126 HydrophobicContact CD-CB 4.06Å; K74-T127 PolarHBondContact N-O 2.75Å; K74-C128 HydrophobicContact CG-CB 4.33Å
75D93.1Very high94.3Very high64 Ų6446.3 Ų46.334%0.34222%0.224SC..Hα-helixtrans-61.4-48.3174.361-40.3000112.2K73 F77 E79 C128K73-D75 VanDerWaalsContact CA-OD1 3.3Å; K73-D75 WeakPolarHBondContact CA-OD1 3.23Å; K73-D75 PolarHBondContact O-N 3.12Å; D75-F77 VanDerWaalsContact C-N 3.35Å; D75-E79 PolarHBondContact O-N 2.94Å; D75-C128 PolarHBondContact OD1-SG 3.15Å
76L95.7Very high94.9Very high94 Ų9445.6 Ų45.649%0.49222%0.219SC..Hα-helixtrans-69.5-36.6177.4-62.4-176.5000111.4K73 K80K73-L76 HydrophobicContact CB-CB 4.31Å; K73-L76 HydrophobicContact CB-CD1 4.34Å; K73-L76 HydrophobicContact CD-CD1 4.2Å; K73-L76 PolarHBondContact O-N 3.48Å; L76-K80 VanDerWaalsContact O-CB 3.27Å; L76-K80 WeakPolarHBondContact O-CB 3.36Å; L76-K80 PolarHBondContact O-N 3.04Å; L76-K80 VanDerWaalsContact O-N 3.07Å
77F97.5Very high95.5Very high0 Ų047.2 Ų47.20%023%0.228CC..Hα-helixtrans-63.5-45.3177179.3-107.5000112.1L30 Y33 K73 K74 D75 E79 K80 I81 Y99 A102 A103 I106L30-F77 HydrophobicContact CB-CB 3.69Å; L30-F77 HydrophobicContact CB-CD1 4.41Å; L30-F77 HydrophobicContact CB-CD2 4Å; L30-F77 HydrophobicContact CB-CG 3.78Å; L30-F77 HydrophobicContact CD1-CB 4.49Å; L30-F77 HydrophobicContact CD1-CD1 4.34Å; L30-F77 HydrophobicContact CD1-CG 4.46Å; L30-F77 WeakPolarHBondContact O-CD2 3.32Å; Y33-F77 AromaticContact CD1-CD2 3.73Å; Y33-F77 HydrophobicContact CD1-CD2 3.73Å; Y33-F77 AromaticContact CD1-CE2 3.6Å; Y33-F77 HydrophobicContact CD1-CE2 3.6Å; Y33-F77 AromaticContact CE1-CD2 3.6Å; Y33-F77 HydrophobicContact CE1-CD2 3.6Å; Y33-F77 AromaticContact CE1-CE2 3.58Å; Y33-F77 HydrophobicContact CE1-CE2 3.58Å; K73-F77 PolarHBondContact O-N 2.79Å; K74-F77 PolarHBondContact O-N 2.96Å; D75-F77 VanDerWaalsContact C-N 3.35Å; F77-E79 VanDerWaalsContact C-N 3.28Å; F77-E79 PolarHBondContact O-N 2.95Å; F77-K80 PolarHBondContact O-N 3.37Å; F77-I81 HydrophobicContact CE2-CB 4.49Å; F77-I81 HydrophobicContact CE2-CD1 4.3Å; F77-I81 HydrophobicContact CZ-CB 4.37Å; F77-I81 HydrophobicContact CZ-CD1 4.2Å; F77-I81 HydrophobicContact CZ-CG1 4.3Å; F77-I81 PolarHBondContact O-N 3.06Å; F77-Y99 AromaticContact CD1-CD2 3.68Å; F77-Y99 HydrophobicContact CD1-CD2 3.68Å; F77-Y99 AromaticContact CD1-CE2 3.93Å; F77-Y99 HydrophobicContact CD1-CE2 3.93Å; F77-Y99 HydrophobicContact CE1-CD2 4.1Å; F77-A102 HydrophobicContact CE1-CB 4.13Å; F77-A102 HydrophobicContact CZ-CB 3.68Å; F77-A103 HydrophobicContact CE1-CB 3.99Å; F77-I106 HydrophobicContact CE2-CD1 3.77Å; F77-I106 HydrophobicContact CZ-CD1 3.78Å
78E96.4Very high95.7Very high74 Ų7451.5 Ų51.535%0.34625%0.25SS..Hα-helixtrans-56.4-39.6178.8-174.4174.7178.100112.5K74 K82 Y99K74-E78 WeakPolarHBondContact O-CB 3.38Å; K74-E78 PolarHBondContact O-N 3.35Å; E78-K82 WeakPolarHBondContact O-CE 3.38Å; E78-Y99 HydrophobicContact CB-CD2 3.75Å; E78-Y99 HydrophobicContact CB-CE2 4.33Å; E78-Y99 HydrophobicContact CB-CG 4.35Å; E78-Y99 HydrophobicContact CG-CD2 4.14Å; E78-Y99 HydrophobicContact CG-CG 4.23Å
79E96.6Very high96Very high99 Ų9951.4 Ų51.446%0.46325%0.25SS..Hα-helixtrans-77.6-32.2176.1-69.9-56114.500113.3D75 F77 K82D75-E79 PolarHBondContact O-N 2.94Å; F77-E79 VanDerWaalsContact C-N 3.28Å; F77-E79 PolarHBondContact O-N 2.95Å; E79-K82 IonicContact OE1-NZ 3.14Å; E79-K82 PolarHBondContact OE1-NZ 3.5Å; E79-K82 IonicContact OE2-NZ 2.69Å
80K97.6Very high96.1Very high52 Ų5251.5 Ų51.523%0.22625%0.251CS..Hα-helixtrans-76.7-41.5-175-158.9-178.4-148.4-179.90112.5S31 Y33 D34 L76 F77 K82 K83 S84S31-K80 PolarHBondContact O-NZ 3.44Å; Y33-K80 HydrophobicContact CE1-CB 4.33Å; Y33-K80 HydrophobicContact CE1-CD 3.82Å; Y33-K80 HydrophobicContact CE1-CG 4.22Å; Y33-K80 WeakPolarHBondContact OH-CG 2.94Å; Y33-K80 PolarHBondContact OH-O 2.99Å; D34-K80 VanDerWaalsContact CG-CE 3.44Å; D34-K80 WeakPolarHBondContact OD1-CD 3.48Å; D34-K80 WeakPolarHBondContact OD1-CE 3.24Å; D34-K80 IonicContact OD1-NZ 3.9Å; D34-K80 PolarHBondContact OD1-NZ 3.46Å; D34-K80 WeakPolarHBondContact OD2-CE 3.39Å; D34-K80 IonicContact OD2-NZ 3.99Å; L76-K80 VanDerWaalsContact O-CB 3.27Å; L76-K80 WeakPolarHBondContact O-CB 3.36Å; L76-K80 PolarHBondContact O-N 3.04Å; L76-K80 VanDerWaalsContact O-N 3.07Å; F77-K80 PolarHBondContact O-N 3.37Å; K80-K82 PolarHBondContact O-N 3.16Å; K80-K82 VanDerWaalsContact O-N 3.16Å; K80-K83 PolarHBondContact O-N 3.34Å; K80-S84 PolarHBondContact O-N 3.39Å
81I97.9Very high96.3Very high4 Ų455.8 Ų55.82%0.02128%0.28CS..Hα-helixtrans-61.9-24.9-176.6-164.163.9000113Y33 F77 K83 L86 N97 A102Y33-I81 WeakPolarHBondContact OH-CA 3.42Å; Y33-I81 PolarHBondContact OH-N 3.42Å; F77-I81 HydrophobicContact CE2-CB 4.49Å; F77-I81 HydrophobicContact CE2-CD1 4.3Å; F77-I81 HydrophobicContact CZ-CB 4.37Å; F77-I81 HydrophobicContact CZ-CD1 4.2Å; F77-I81 HydrophobicContact CZ-CG1 4.3Å; F77-I81 PolarHBondContact O-N 3.06Å; I81-K83 PolarHBondContact O-N 2.93Å; I81-L86 HydrophobicContact CD1-CB 3.92Å; I81-N97 HydrophobicContact CG1-CB 4.3Å; I81-A102 HydrophobicContact CD1-CB 3.97Å; I81-A102 HydrophobicContact CG1-CB 3.96Å
82K96.8Very high96.3Very high127 Ų12761.5 Ų61.555%0.55231%0.306SS*.THydrogen-bonded Turntrans-65.5-19.4173.3-62169.6-173.1167.70113.2E78 E79 K80E78-K82 WeakPolarHBondContact O-CE 3.38Å; E79-K82 IonicContact OE1-NZ 3.14Å; E79-K82 PolarHBondContact OE1-NZ 3.5Å; E79-K82 IonicContact OE2-NZ 2.69Å; K80-K82 PolarHBondContact O-N 3.16Å; K80-K82 VanDerWaalsContact O-N 3.16Å
83K96.9Very high96.5Very high180 Ų18060.8 Ų60.878%0.78330%0.302SS*.THydrogen-bonded Turntrans-120.5-33.7-171.3-60.6175.6-173.3169.30113.1K80 I81K80-K83 PolarHBondContact O-N 3.34Å; I81-K83 PolarHBondContact O-N 2.93Å
84S97.2Very high96.6Very high19 Ų1962.4 Ų62.413%0.13333%0.328CS..SBendtrans-121.9119.2-175.1-174.90000107.9Y33 D34 K80 I88Y33-S84 WeakPolarHBondContact OH-CB 3.43Å; Y33-S84 PolarHBondContact OH-O 2.71Å; D34-S84 VanDerWaalsContact OD2-CB 3.28Å; D34-S84 WeakPolarHBondContact OD2-CB 3.44Å; D34-S84 PolarHBondContact OD2-OG 3.45Å; K80-S84 PolarHBondContact O-N 3.39Å; S84-I88 WeakPolarHBondContact OG-CD1 3Å
85P97.1Very high96.6Very high45 Ų4560.6 Ų60.629%0.29233%0.326SS..  trans-73.6148.2-174.230.1-35.5000111.4T87 I88P85-T87 PolarHBondContact O-N 3.04Å; P85-T87 VanDerWaalsContact O-N 3.12Å; P85-I88 HydrophobicContact CG-CD1 4.27Å; P85-I88 HydrophobicContact CG-CG1 4.28Å; P85-I88 PolarHBondContact O-N 2.89Å
86L97.9Very high96.7Very high0 Ų059.9 Ų59.90%033%0.326CS..G310 helixtrans-62.2-23178.4-171.762.3000112.6Y33 I81 I88 C89 Y90 Y93 N97 A102 Y105 I106Y33-L86 HydrophobicContact CD2-CD1 4.13Å; Y33-L86 HydrophobicContact CG-CD1 4.12Å; I81-L86 HydrophobicContact CD1-CB 3.92Å; L86-I88 PolarHBondContact O-N 3.03Å; L86-I88 VanDerWaalsContact O-N 3.07Å; L86-C89 PolarHBondContact O-N 3.15Å; L86-Y90 HydrophobicContact CD1-CD2 3.79Å; L86-Y90 HydrophobicContact CD1-CE2 4.09Å; L86-Y90 HydrophobicContact CD2-CD2 4.2Å; L86-Y90 HydrophobicContact CG-CD2 3.8Å; L86-Y90 PolarHBondContact O-N 2.88Å; L86-Y93 HydrophobicContact CB-CD1 3.82Å; L86-Y93 HydrophobicContact CB-CE1 4.05Å; L86-Y93 HydrophobicContact CB-CG 4.4Å; L86-Y93 HydrophobicContact CD2-CD1 3.89Å; L86-Y93 HydrophobicContact CD2-CD2 3.83Å; L86-Y93 HydrophobicContact CD2-CE1 3.95Å; L86-Y93 HydrophobicContact CD2-CE2 3.91Å; L86-Y93 HydrophobicContact CD2-CG 3.8Å; L86-Y93 HydrophobicContact CG-CD1 4.25Å; L86-Y93 HydrophobicContact CG-CG 4.35Å; L86-N97 PolarHBondContact N-OD1 3.48Å; L86-A102 HydrophobicContact CD2-CB 3.96Å; L86-Y105 HydrophobicContact CD2-CD1 3.84Å; L86-Y105 HydrophobicContact CD2-CG 4.4Å; L86-I106 HydrophobicContact CD1-CD1 3.92Å; L86-I106 HydrophobicContact CD1-CG1 4.18Å
87T97.5Very high96.6Very high58 Ų5859 Ų5936%0.35632%0.322SS..G310 helixtrans-62.3-13.4179.754.70000114.9P85 C89 Y90 Y93P85-T87 PolarHBondContact O-N 3.04Å; P85-T87 VanDerWaalsContact O-N 3.12Å; T87-C89 VanDerWaalsContact C-N 3.27Å; T87-Y90 WeakPolarHBondContact CA-O 3.44Å; T87-Y93 HydrophobicContact CG2-CD1 4.49Å
88I96.1Very high96.5Very high90 Ų9061.9 Ų61.946%0.46234%0.34SS..G310 helixtrans-62.2-39.3168.8-68166.2000110.8D34 S84 P85 L86D34-I88 HydrophobicContact CB-CB 4.39Å; D34-I88 HydrophobicContact CB-CD1 4.01Å; D34-I88 HydrophobicContact CB-CG2 3.96Å; S84-I88 WeakPolarHBondContact OG-CD1 3Å; P85-I88 HydrophobicContact CG-CD1 4.27Å; P85-I88 HydrophobicContact CG-CG1 4.28Å; P85-I88 PolarHBondContact O-N 2.89Å; L86-I88 PolarHBondContact O-N 3.03Å; L86-I88 VanDerWaalsContact O-N 3.07Å
89C96.7Very high96.5Very high1 Ų160.3 Ų60.31%0.00733%0.331CS..THydrogen-bonded Turntrans-88.8-43.9176.5-166.30000111.7Y33 H47 L86 T87 P91Y33-C89 VanDerWaalsContact O-CB 3.25Å; Y33-C89 WeakPolarHBondContact O-CB 3.41Å; H47-C89 PolarHBondContact CE1-O 3.2Å; H47-C89 PolarHBondContact NE2-O 3.17Å; H47-C89 VanDerWaalsContact NE2-O 3.15Å; L86-C89 PolarHBondContact O-N 3.15Å; T87-C89 VanDerWaalsContact C-N 3.27Å; C89-P91 WeakPolarHBondContact O-CD 3.38Å
90Y96.9Very high96.5Very high2 Ų261.8 Ų61.81%0.00834%0.338CS..  trans-122.982.4-171.4-58.6-77.5000110M46 M50 L86 T87 E92 Y93 Y105 I106 Q109M46-Y90 HydrophobicContact CG-CE2 4.3Å; M46-Y90 VanDerWaalsContact CG-OH 3.23Å; M46-Y90 WeakPolarHBondContact CG-OH 3.38Å; M50-Y90 HydrophobicContact SD-CE1 3.92Å; M50-Y90 PolarHBondContact SD-OH 2.81Å; L86-Y90 HydrophobicContact CD1-CD2 3.79Å; L86-Y90 HydrophobicContact CD1-CE2 4.09Å; L86-Y90 HydrophobicContact CD2-CD2 4.2Å; L86-Y90 HydrophobicContact CG-CD2 3.8Å; L86-Y90 PolarHBondContact O-N 2.88Å; T87-Y90 WeakPolarHBondContact CA-O 3.44Å; Y90-E92 PolarHBondContact O-N 2.79Å; Y90-Y93 WeakPolarHBondContact O-CB 3.33Å; Y90-Y93 PolarHBondContact O-N 3.46Å; Y90-Y105 AromaticContact CD1-CE1 3.91Å; Y90-Y105 HydrophobicContact CD1-CE1 3.91Å; Y90-Y105 HydrophobicContact CD2-CD1 4.34Å; Y90-Y105 AromaticContact CD2-CE1 3.99Å; Y90-Y105 HydrophobicContact CD2-CE1 3.99Å; Y90-Y105 HydrophobicContact CE1-CE1 4.43Å; Y90-Y105 HydrophobicContact CE2-CE1 4.49Å; Y90-Y105 HydrophobicContact CG-CD1 4.44Å; Y90-Y105 AromaticContact CG-CE1 3.66Å; Y90-Y105 HydrophobicContact CG-CE1 3.66Å; Y90-I106 HydrophobicContact CE2-CG1 4.05Å; Y90-Q109 HydrophobicContact CD1-CG 4.39Å; Y90-Q109 HydrophobicContact CE1-CB 4.41Å; Y90-Q109 HydrophobicContact CE1-CG 3.84Å
91P96.8Very high96.5Very high102 Ų10263.5 Ų63.566%0.66235%0.347SS*.THydrogen-bonded Turntrans-54.6-26.4-176.8-27.535.7000114.4C89C89-P91 WeakPolarHBondContact O-CD 3.38Å
92E96.4Very high96.5Very high120 Ų12063.3 Ų63.356%0.56135%0.346SS*.THydrogen-bonded Turntrans-81.3-8177.371.3-77.3-177.600114.6Y90 A94 Y105Y90-E92 PolarHBondContact O-N 2.79Å; E92-A94 PolarHBondContact O-N 3.17Å; E92-A94 VanDerWaalsContact O-N 3.15Å; E92-Y105 PolarHBondContact OE1-OH 2.96Å
93Y97.6Very high96.6Very high14 Ų1457.3 Ų57.36%0.05532%0.32CS..  trans-64.4115.3178.7178.8-109.4000110.8L86 T87 Y90 G95 S96 E101 A102 Y105L86-Y93 HydrophobicContact CB-CD1 3.82Å; L86-Y93 HydrophobicContact CB-CE1 4.05Å; L86-Y93 HydrophobicContact CB-CG 4.4Å; L86-Y93 HydrophobicContact CD2-CD1 3.89Å; L86-Y93 HydrophobicContact CD2-CD2 3.83Å; L86-Y93 HydrophobicContact CD2-CE1 3.95Å; L86-Y93 HydrophobicContact CD2-CE2 3.91Å; L86-Y93 HydrophobicContact CD2-CG 3.8Å; L86-Y93 HydrophobicContact CG-CD1 4.25Å; L86-Y93 HydrophobicContact CG-CG 4.35Å; T87-Y93 HydrophobicContact CG2-CD1 4.49Å; Y90-Y93 WeakPolarHBondContact O-CB 3.33Å; Y90-Y93 PolarHBondContact O-N 3.46Å; Y93-G95 VanDerWaalsContact CE1-C 3.43Å; Y93-G95 WeakPolarHBondContact CE1-O 3.4Å; Y93-G95 VanDerWaalsContact CZ-CA 3.43Å; Y93-S96 WeakPolarHBondContact CE1-O 3.43Å; Y93-S96 PolarHBondContact OH-O 2.96Å; Y93-E101 WeakPolarHBondContact OH-CG 3.43Å; Y93-A102 PolarHBondContact OH-N 3.37Å; Y93-Y105 AromaticContact CD2-CD1 3.75Å; Y93-Y105 HydrophobicContact CD2-CD1 3.75Å; Y93-Y105 AromaticContact CD2-CD2 3.5Å; Y93-Y105 HydrophobicContact CD2-CD2 3.5Å; Y93-Y105 HydrophobicContact CD2-CE1 4.01Å; Y93-Y105 AromaticContact CD2-CE2 3.78Å; Y93-Y105 HydrophobicContact CD2-CE2 3.78Å; Y93-Y105 AromaticContact CD2-CG 3.47Å; Y93-Y105 HydrophobicContact CD2-CG 3.47Å; Y93-Y105 VanDerWaalsContact CD2-CG 3.47Å; Y93-Y105 HydrophobicContact CE2-CD1 4.21Å; Y93-Y105 AromaticContact CE2-CD2 3.77Å; Y93-Y105 HydrophobicContact CE2-CD2 3.77Å; Y93-Y105 HydrophobicContact CE2-CE2 4.48Å; Y93-Y105 AromaticContact CE2-CG 3.6Å; Y93-Y105 HydrophobicContact CE2-CG 3.6Å
94A95.4Very high96.6Very high104 Ų10450.9 Ų50.986%0.8630%0.301SS*.  trans-103.30-178.900000113.6E92E92-A94 PolarHBondContact O-N 3.17Å; E92-A94 VanDerWaalsContact O-N 3.15Å
95G94.4Very high96.7Very high23 Ų2352.5 Ų52.524%0.23730%0.304CS..SBendtrans-78.3174.9-179.900000113.5Y93 E101Y93-G95 VanDerWaalsContact CE1-C 3.43Å; Y93-G95 WeakPolarHBondContact CE1-O 3.4Å; Y93-G95 VanDerWaalsContact CZ-CA 3.43Å; G95-E101 WeakPolarHBondContact CA-OE1 3.44Å
96S95.2Very high96.7Very high49 Ų4950.4 Ų50.434%0.34329%0.29SS..  trans-72.6152.6174.873.30000112.1Y93 T98 E101Y93-S96 WeakPolarHBondContact CE1-O 3.43Å; Y93-S96 PolarHBondContact OH-O 2.96Å; S96-T98 PolarHBondContact O-N 3.37Å; S96-T98 WeakPolarHBondContact OG-CG2 3.18Å; S96-T98 PolarHBondContact OG-OG1 3.05Å; S96-E101 WeakPolarHBondContact CA-OE2 3.19Å; S96-E101 WeakPolarHBondContact CB-OE2 3.27Å; S96-E101 PolarHBondContact N-OE1 3.38Å; S96-E101 PolarHBondContact N-OE2 3.31Å; S96-E101 PolarHBondContact OG-OE2 2.74Å
97N93.2Very high96.7Very high76 Ų7652.6 Ų52.641%0.40630%0.301SS..SBendtrans-79.740.8172.5-67.9-37.4000112I81 L86I81-N97 HydrophobicContact CG1-CB 4.3Å; L86-N97 PolarHBondContact N-OD1 3.48Å
98T96.3Very high96.7Very high60 Ų6052.6 Ų52.637%0.36830%0.302SS..SBendtrans-90.1154.617258.30000109.8S96 E100 E101 A102S96-T98 PolarHBondContact O-N 3.37Å; S96-T98 WeakPolarHBondContact OG-CG2 3.18Å; S96-T98 PolarHBondContact OG-OG1 3.05Å; T98-E100 VanDerWaalsContact C-N 3.32Å; T98-E100 PolarHBondContact O-N 3.42Å; T98-E101 WeakPolarHBondContact OG1-CB 3.32Å; T98-A102 WeakPolarHBondContact O-CB 3.47Å; T98-A102 PolarHBondContact O-N 2.82Å; T98-A102 VanDerWaalsContact O-N 3.11Å
99Y96.4Very high96.8Very high41 Ų4150.3 Ų50.316%0.16129%0.29CS..Hα-helixtrans-57.8-48.3178.7165.8-95.7000110.9K74 F77 E78 E101 A103K74-Y99 HydrophobicContact CB-CE2 4.19Å; F77-Y99 AromaticContact CD1-CD2 3.68Å; F77-Y99 HydrophobicContact CD1-CD2 3.68Å; F77-Y99 AromaticContact CD1-CE2 3.93Å; F77-Y99 HydrophobicContact CD1-CE2 3.93Å; F77-Y99 HydrophobicContact CE1-CD2 4.1Å; E78-Y99 HydrophobicContact CB-CD2 3.75Å; E78-Y99 HydrophobicContact CB-CE2 4.33Å; E78-Y99 HydrophobicContact CB-CG 4.35Å; E78-Y99 HydrophobicContact CG-CD2 4.14Å; E78-Y99 HydrophobicContact CG-CG 4.23Å; Y99-E101 PolarHBondContact O-N 2.92Å; Y99-A103 HydrophobicContact CE2-CB 4.32Å; Y99-A103 WeakPolarHBondContact O-CB 3.48Å; Y99-A103 PolarHBondContact O-N 2.93Å
100E96.4Very high96.9Very high130 Ų13050.3 Ų50.361%0.60729%0.29SS*.Hα-helixtrans-61.7-49.3-172.6-65.672.8-161.600111.7T98 A104T98-E100 VanDerWaalsContact C-N 3.32Å; T98-E100 PolarHBondContact O-N 3.42Å; E100-A104 VanDerWaalsContact O-CB 3.27Å; E100-A104 WeakPolarHBondContact O-CB 3.29Å; E100-A104 PolarHBondContact O-N 3.41Å; E100-A104 VanDerWaalsContact O-N 3.09Å
101E97.4Very high96.8Very high88 Ų8853 Ų5341%0.41130%0.302SS..Hα-helixtrans-73.2-42.6-176.7-161.8177.9173.400111.8Y93 G95 S96 T98 Y99 A104 Y105Y93-E101 WeakPolarHBondContact OH-CG 3.43Å; G95-E101 WeakPolarHBondContact CA-OE1 3.44Å; S96-E101 WeakPolarHBondContact CA-OE2 3.19Å; S96-E101 WeakPolarHBondContact CB-OE2 3.27Å; S96-E101 PolarHBondContact N-OE1 3.38Å; S96-E101 PolarHBondContact N-OE2 3.31Å; S96-E101 PolarHBondContact OG-OE2 2.74Å; T98-E101 WeakPolarHBondContact OG1-CB 3.32Å; Y99-E101 PolarHBondContact O-N 2.92Å; E101-A104 PolarHBondContact O-N 2.78Å; E101-Y105 WeakPolarHBondContact O-CB 3.44Å; E101-Y105 PolarHBondContact O-N 2.89Å
102A98.1Very high96.8Very high0 Ų052.6 Ų52.60%030%0.295CS..Hα-helixtrans-68.2-39.418000000111.9F77 I81 L86 Y93 T98 Y105 I106F77-A102 HydrophobicContact CE1-CB 4.13Å; F77-A102 HydrophobicContact CZ-CB 3.68Å; I81-A102 HydrophobicContact CD1-CB 3.97Å; I81-A102 HydrophobicContact CG1-CB 3.96Å; L86-A102 HydrophobicContact CD2-CB 3.96Å; Y93-A102 PolarHBondContact OH-N 3.37Å; T98-A102 WeakPolarHBondContact O-CB 3.47Å; T98-A102 PolarHBondContact O-N 2.82Å; T98-A102 VanDerWaalsContact O-N 3.11Å; A102-Y105 PolarHBondContact O-N 3.48Å; A102-I106 WeakPolarHBondContact O-CG1 3.46Å; A102-I106 PolarHBondContact O-N 3.44Å
103A97.8Very high96.9Very high2 Ų248.7 Ų48.72%0.01728%0.278CS..Hα-helixtrans-66.5-43.7176.400000111.6F77 Y99 Y105 I106 Q107 F126F77-A103 HydrophobicContact CE1-CB 3.99Å; Y99-A103 HydrophobicContact CE2-CB 4.32Å; Y99-A103 WeakPolarHBondContact O-CB 3.48Å; Y99-A103 PolarHBondContact O-N 2.93Å; A103-Y105 VanDerWaalsContact C-N 3.32Å; A103-Y105 PolarHBondContact O-N 3.27Å; A103-I106 PolarHBondContact O-N 3.23Å; A103-Q107 PolarHBondContact O-N 3.46Å; A103-F126 HydrophobicContact CB-CD1 4.44Å; A103-F126 HydrophobicContact CB-CE1 3.64Å; A103-F126 HydrophobicContact CB-CZ 4Å
104A97.7Very high96.8Very high45 Ų4548.5 Ų48.537%0.37228%0.277SS..Hα-helixtrans-62.1-40.317500000111.6E100 E101 Q107 C108E100-A104 VanDerWaalsContact O-CB 3.27Å; E100-A104 WeakPolarHBondContact O-CB 3.29Å; E100-A104 PolarHBondContact O-N 3.41Å; E100-A104 VanDerWaalsContact O-N 3.09Å; E101-A104 PolarHBondContact O-N 2.78Å; A104-Q107 WeakPolarHBondContact O-CB 3.29Å; A104-Q107 PolarHBondContact O-N 2.94Å; A104-C108 PolarHBondContact O-N 3.24Å; A104-C108 PolarHBondContact O-SG 3.35Å; A104-C108 VanDerWaalsContact O-SG 3.35Å
105Y98.4Very high96.8Very high53 Ų5350.5 Ų50.521%0.20827%0.267CS..Hα-helixtrans-61.2-49.3175.7-175.3-91.9000111.8L86 Y90 E92 Y93 E101 A102 A103 Q107 C108 Q109L86-Y105 HydrophobicContact CD2-CD1 3.84Å; L86-Y105 HydrophobicContact CD2-CG 4.4Å; Y90-Y105 AromaticContact CD1-CE1 3.91Å; Y90-Y105 HydrophobicContact CD1-CE1 3.91Å; Y90-Y105 HydrophobicContact CD2-CD1 4.34Å; Y90-Y105 AromaticContact CD2-CE1 3.99Å; Y90-Y105 HydrophobicContact CD2-CE1 3.99Å; Y90-Y105 HydrophobicContact CE1-CE1 4.43Å; Y90-Y105 HydrophobicContact CE2-CE1 4.49Å; Y90-Y105 HydrophobicContact CG-CD1 4.44Å; Y90-Y105 AromaticContact CG-CE1 3.66Å; Y90-Y105 HydrophobicContact CG-CE1 3.66Å; E92-Y105 PolarHBondContact OE1-OH 2.96Å; Y93-Y105 AromaticContact CD2-CD1 3.75Å; Y93-Y105 HydrophobicContact CD2-CD1 3.75Å; Y93-Y105 AromaticContact CD2-CD2 3.5Å; Y93-Y105 HydrophobicContact CD2-CD2 3.5Å; Y93-Y105 HydrophobicContact CD2-CE1 4.01Å; Y93-Y105 AromaticContact CD2-CE2 3.78Å; Y93-Y105 HydrophobicContact CD2-CE2 3.78Å; Y93-Y105 AromaticContact CD2-CG 3.47Å; Y93-Y105 HydrophobicContact CD2-CG 3.47Å; Y93-Y105 VanDerWaalsContact CD2-CG 3.47Å; Y93-Y105 HydrophobicContact CE2-CD1 4.21Å; Y93-Y105 AromaticContact CE2-CD2 3.77Å; Y93-Y105 HydrophobicContact CE2-CD2 3.77Å; Y93-Y105 HydrophobicContact CE2-CE2 4.48Å; Y93-Y105 AromaticContact CE2-CG 3.6Å; Y93-Y105 HydrophobicContact CE2-CG 3.6Å; E101-Y105 WeakPolarHBondContact O-CB 3.44Å; E101-Y105 PolarHBondContact O-N 2.89Å; A102-Y105 PolarHBondContact O-N 3.48Å; A103-Y105 VanDerWaalsContact C-N 3.32Å; A103-Y105 PolarHBondContact O-N 3.27Å; Y105-Q107 VanDerWaalsContact C-N 3.29Å; Y105-Q107 PolarHBondContact O-N 3.47Å; Y105-C108 PolarHBondContact O-N 3.39Å; Y105-Q109 HydrophobicContact CD1-CG 3.9Å; Y105-Q109 HydrophobicContact CE1-CG 3.58Å; Y105-Q109 WeakPolarHBondContact O-CG 3.45Å; Y105-Q109 PolarHBondContact O-N 2.84Å
106I98.3Very high96.6Very high0 Ų052.3 Ų52.30%027%0.266CS..Hα-helixtrans-59.2-42.9176.7-65.8166.6000110.6L30 M46 F77 L86 Y90 A102 A103 C108 Q109 F110L30-I106 HydrophobicContact CD2-CB 4.14Å; L30-I106 HydrophobicContact CD2-CD1 3.92Å; L30-I106 HydrophobicContact CD2-CG2 3.67Å; M46-I106 HydrophobicContact CE-CD1 4.23Å; M46-I106 HydrophobicContact CE-CG2 4.13Å; M46-I106 HydrophobicContact SD-CG2 4.25Å; F77-I106 HydrophobicContact CE2-CD1 3.77Å; F77-I106 HydrophobicContact CZ-CD1 3.78Å; L86-I106 HydrophobicContact CD1-CD1 3.92Å; L86-I106 HydrophobicContact CD1-CG1 4.18Å; Y90-I106 HydrophobicContact CE2-CG1 4.05Å; A102-I106 WeakPolarHBondContact O-CG1 3.46Å; A102-I106 PolarHBondContact O-N 3.44Å; A103-I106 PolarHBondContact O-N 3.23Å; I106-C108 PolarHBondContact O-N 2.83Å; I106-Q109 WeakPolarHBondContact O-CB 3.25Å; I106-Q109 PolarHBondContact O-N 2.72Å; I106-F110 HydrophobicContact CG2-CD2 3.98Å; I106-F110 HydrophobicContact CG2-CE2 3.91Å; I106-F110 WeakPolarHBondContact O-CD2 3.32Å; I106-F110 PolarHBondContact O-N 2.86Å
107Q98Very high96.2Very high46 Ų4655.5 Ų55.522%0.21527%0.274CS..Hα-helixtrans-54.8-51.5174.5168.9171.4300111.7L71 A103 A104 Y105 Q109 F110 E111 T124 F126L71-Q107 HydrophobicContact CD1-CB 3.68Å; L71-Q107 HydrophobicContact CD1-CG 4.36Å; A103-Q107 PolarHBondContact O-N 3.46Å; A104-Q107 WeakPolarHBondContact O-CB 3.29Å; A104-Q107 PolarHBondContact O-N 2.94Å; Y105-Q107 VanDerWaalsContact C-N 3.29Å; Y105-Q107 PolarHBondContact O-N 3.47Å; Q107-Q109 VanDerWaalsContact C-N 3.29Å; Q107-Q109 PolarHBondContact O-N 2.88Å; Q107-F110 PolarHBondContact O-N 2.86Å; Q107-F110 VanDerWaalsContact O-N 3.13Å; Q107-E111 HydrophobicContact CG-CG 4.35Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.45Å; Q107-E111 PolarHBondContact NE2-OE1 3.32Å; Q107-E111 WeakPolarHBondContact O-CG 3.41Å; Q107-E111 PolarHBondContact O-N 3.2Å; Q107-T124 HydrophobicContact CG-CG2 3.9Å; Q107-F126 HydrophobicContact CB-CZ 4.09Å
108C97.2Very high95.9Very high58 Ų5859.8 Ų59.839%0.39230%0.297SS..Hα-helixtrans-58.3-41.8177.7-67.80000111.8A104 Y105 I106 F110 E111 D112A104-C108 PolarHBondContact O-N 3.24Å; A104-C108 PolarHBondContact O-SG 3.35Å; A104-C108 VanDerWaalsContact O-SG 3.35Å; Y105-C108 PolarHBondContact O-N 3.39Å; I106-C108 PolarHBondContact O-N 2.83Å; C108-F110 VanDerWaalsContact C-N 3.26Å; C108-F110 PolarHBondContact O-N 2.75Å; C108-E111 PolarHBondContact O-N 3.23Å; C108-D112 VanDerWaalsContact O-CB 3.29Å; C108-D112 WeakPolarHBondContact O-CB 3.15Å; C108-D112 VanDerWaalsContact O-CG 3.25Å; C108-D112 PolarHBondContact O-N 3.34Å
109Q98.1Very high95.4Very high43 Ų4362.3 Ų62.320%0.20131%0.313CS..Hα-helixtrans-57.8-37.2177.6-69.3-56.4-65.300112.7M50 Y90 Y105 I106 Q107 L113M50-Q109 HydrophobicContact CE-CB 3.8Å; M50-Q109 HydrophobicContact SD-CB 4.45Å; Y90-Q109 HydrophobicContact CD1-CG 4.39Å; Y90-Q109 HydrophobicContact CE1-CB 4.41Å; Y90-Q109 HydrophobicContact CE1-CG 3.84Å; Y105-Q109 HydrophobicContact CD1-CG 3.9Å; Y105-Q109 HydrophobicContact CE1-CG 3.58Å; Y105-Q109 WeakPolarHBondContact O-CG 3.45Å; Y105-Q109 PolarHBondContact O-N 2.84Å; I106-Q109 WeakPolarHBondContact O-CB 3.25Å; I106-Q109 PolarHBondContact O-N 2.72Å; Q107-Q109 VanDerWaalsContact C-N 3.29Å; Q107-Q109 PolarHBondContact O-N 2.88Å; Q109-L113 WeakPolarHBondContact O-CG 3.16Å
110F98.1Very high94.9Very high0 Ų060.8 Ų60.80%031%0.307CS..Hα-helixtrans-77.3-43.8175.2-82.5-88.8000112.7F26 V28 M46 M50 F53 L69 L71 I106 Q107 C108 D112 L113F26-F110 HydrophobicContact CE1-CE1 4.32Å; V28-F110 HydrophobicContact CB-CZ 4.25Å; V28-F110 HydrophobicContact CG1-CE2 3.84Å; V28-F110 HydrophobicContact CG1-CZ 3.65Å; V28-F110 HydrophobicContact CG2-CD1 4.18Å; V28-F110 HydrophobicContact CG2-CE1 3.56Å; V28-F110 HydrophobicContact CG2-CE2 4.13Å; V28-F110 HydrophobicContact CG2-CZ 3.54Å; M46-F110 HydrophobicContact SD-CE2 3.59Å; M46-F110 VanDerWaalsContact SD-CE2 3.59Å; M46-F110 HydrophobicContact SD-CZ 3.85Å; M50-F110 HydrophobicContact CB-CE1 4.43Å; M50-F110 HydrophobicContact CB-CZ 4.44Å; M50-F110 HydrophobicContact CG-CD1 4.43Å; M50-F110 HydrophobicContact CG-CD2 4.43Å; M50-F110 HydrophobicContact CG-CE1 3.84Å; M50-F110 HydrophobicContact CG-CE2 3.84Å; M50-F110 HydrophobicContact CG-CZ 3.5Å; M50-F110 VanDerWaalsContact CG-CZ 3.5Å; F53-F110 HydrophobicContact CB-CD1 3.9Å; F53-F110 HydrophobicContact CB-CE1 3.88Å; F53-F110 AromaticContact CD1-CD1 3.81Å; F53-F110 HydrophobicContact CD1-CD1 3.81Å; F53-F110 HydrophobicContact CD2-CD1 4.34Å; F53-F110 HydrophobicContact CE1-CD1 4.42Å; F53-F110 VanDerWaalsContact CE1-O 3.3Å; F53-F110 WeakPolarHBondContact CE1-O 3.38Å; F53-F110 AromaticContact CG-CD1 3.74Å; F53-F110 HydrophobicContact CG-CD1 3.74Å; F53-F110 HydrophobicContact CG-CE1 4.21Å; L69-F110 HydrophobicContact CD1-CD1 4.37Å; L69-F110 HydrophobicContact CD2-CB 3.52Å; L69-F110 HydrophobicContact CD2-CD1 4.43Å; L69-F110 HydrophobicContact CD2-CG 4.05Å; L71-F110 HydrophobicContact CD2-CD2 4.34Å; I106-F110 HydrophobicContact CG2-CD2 3.98Å; I106-F110 HydrophobicContact CG2-CE2 3.91Å; I106-F110 WeakPolarHBondContact O-CD2 3.32Å; I106-F110 PolarHBondContact O-N 2.86Å; Q107-F110 PolarHBondContact O-N 2.86Å; Q107-F110 VanDerWaalsContact O-N 3.13Å; C108-F110 VanDerWaalsContact C-N 3.26Å; C108-F110 PolarHBondContact O-N 2.75Å; F110-D112 PolarHBondContact O-N 3.08Å; F110-L113 WeakPolarHBondContact O-CB 3.45Å; F110-L113 PolarHBondContact O-N 3.12Å; F110-L113 VanDerWaalsContact O-N 3.1Å
111E96.1Very high94.3Very high58 Ų5860.4 Ų60.427%0.27131%0.305SS..Hα-helixtrans-63.3-32.5-179.7-72.1175.5178.200112.2Q107 C108 L113 N114 K117 T124Q107-E111 HydrophobicContact CG-CG 4.35Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.45Å; Q107-E111 PolarHBondContact NE2-OE1 3.32Å; Q107-E111 WeakPolarHBondContact O-CG 3.41Å; Q107-E111 PolarHBondContact O-N 3.2Å; C108-E111 PolarHBondContact O-N 3.23Å; E111-L113 PolarHBondContact O-N 2.94Å; E111-N114 WeakPolarHBondContact O-CB 3.47Å; E111-N114 PolarHBondContact O-N 3.19Å; E111-K117 WeakPolarHBondContact O-CE 3.36Å; E111-T124 WeakPolarHBondContact OE1-CB 3.47Å; E111-T124 PolarHBondContact OE1-OG1 3.27Å
112D96.8Very high94Very high95 Ų9557.3 Ų57.351%0.50829%0.291SS..THydrogen-bonded Turntrans-69.5-17.6175.8-74.8-20.6000114.1C108 F110 N114 K117C108-D112 VanDerWaalsContact O-CB 3.29Å; C108-D112 WeakPolarHBondContact O-CB 3.15Å; C108-D112 VanDerWaalsContact O-CG 3.25Å; C108-D112 PolarHBondContact O-N 3.34Å; F110-D112 PolarHBondContact O-N 3.08Å; D112-N114 PolarHBondContact O-N 2.77Å; D112-K117 IonicContact OD1-NZ 3.28Å; D112-K117 PolarHBondContact OD1-NZ 3.07Å
113L97.3Very high93.7Very high38 Ų3859 Ų5920%0.19930%0.298CS..THydrogen-bonded Turntrans-73.3-13.7173.2-63.2171.3000112.6M50 F53 D54 N58 Q109 F110 E111 K115M50-L113 HydrophobicContact CB-CD1 3.95Å; M50-L113 HydrophobicContact CE-CD1 4.09Å; M50-L113 HydrophobicContact CG-CD1 4.3Å; M50-L113 WeakPolarHBondContact O-CD1 3.13Å; F53-L113 HydrophobicContact CD1-CB 4.05Å; F53-L113 HydrophobicContact CD1-CD1 3.92Å; F53-L113 HydrophobicContact CE1-CB 4.33Å; D54-L113 HydrophobicContact CB-CB 4.5Å; D54-L113 HydrophobicContact CB-CD1 4.43Å; D54-L113 HydrophobicContact CB-CD2 4.33Å; N58-L113 PolarHBondContact ND2-O 3.27Å; Q109-L113 WeakPolarHBondContact O-CG 3.16Å; F110-L113 WeakPolarHBondContact O-CB 3.45Å; F110-L113 PolarHBondContact O-N 3.12Å; F110-L113 VanDerWaalsContact O-N 3.1Å; E111-L113 PolarHBondContact O-N 2.94Å; L113-K115 PolarHBondContact O-N 3.26Å
114N96Very high93.4Very high9 Ų960 Ų605%0.04830%0.303CS..  trans-74.6108.6175.1-174.56.2000111.3E111 D112 R116 K117 K120 I122E111-N114 WeakPolarHBondContact O-CB 3.47Å; E111-N114 PolarHBondContact O-N 3.19Å; D112-N114 PolarHBondContact O-N 2.77Å; N114-R116 PolarHBondContact O-N 2.8Å; N114-R116 PolarHBondContact OD1-N 2.76Å; N114-K117 HydrophobicContact CB-CG 4.23Å; N114-K117 VanDerWaalsContact O-CG 3.25Å; N114-K117 WeakPolarHBondContact O-CG 3.15Å; N114-K120 PolarHBondContact ND2-O 3.37Å; N114-I122 HydrophobicContact CB-CD1 3.6Å
115K94.8Very high93.1Very high147 Ų14760.5 Ų60.564%0.63930%0.298SS*.THydrogen-bonded Turntrans-80-3.3178.9-63.2169-172.1146.40112.9D54 N58 L113D54-K115 IonicContact OD1-NZ 2.93Å; D54-K115 PolarHBondContact OD1-NZ 3.21Å; D54-K115 IonicContact OD2-NZ 3.6Å; N58-K115 HydrophobicContact CB-CD 4.46Å; N58-K115 WeakPolarHBondContact OD1-CB 3.42Å; N58-K115 PolarHBondContact OD1-N 2.84Å; L113-K115 PolarHBondContact O-N 3.26Å
116R91.4Very high92.8Very high60 Ų6060.6 Ų60.623%0.22630%0.3CS..THydrogen-bonded Turntrans-126.243.6-175.1-68.3-179.4-77.1-152.83.8111.3C57 N59 T63 N114 D118 T119 K120C57-R116 PolarHBondContact O-NH2 3.35Å; N59-R116 PolarHBondContact O-NH2 2.87Å; N59-R116 VanDerWaalsContact O-NH2 3.14Å; T63-R116 VanDerWaalsContact CG2-NH1 3.31Å; T63-R116 PolarHBondContact OG1-NH1 3.4Å; N114-R116 PolarHBondContact O-N 2.8Å; N114-R116 PolarHBondContact OD1-N 2.76Å; R116-D118 PolarHBondContact O-N 2.97Å; R116-D118 VanDerWaalsContact O-N 3.08Å; R116-T119 PolarHBondContact O-N 2.64Å; R116-K120 HydrophobicContact CB-CB 4.19Å; R116-K120 WeakPolarHBondContact O-CB 3Å; R116-K120 PolarHBondContact O-N 2.81Å
117K87.1Confident92.4Very high117 Ų11760.7 Ų60.751%0.50930%0.3SS..THydrogen-bonded Turntrans-54.5-30.5-176.9-61.7-168.8176.4-174.20113.5E111 D112 N114E111-K117 WeakPolarHBondContact O-CE 3.36Å; D112-K117 IonicContact OD1-NZ 3.28Å; D112-K117 PolarHBondContact OD1-NZ 3.07Å; N114-K117 HydrophobicContact CB-CG 4.23Å; N114-K117 VanDerWaalsContact O-CG 3.25Å; N114-K117 WeakPolarHBondContact O-CG 3.15Å
118D86.4Confident91.8Very high165 Ų16559.1 Ų59.188%0.88229%0.294SS*.THydrogen-bonded Turntrans-75.1-23.9-178.8-54.6-41.3000113.8R116R116-D118 PolarHBondContact O-N 2.97Å; R116-D118 VanDerWaalsContact O-N 3.08Å
119T85.6Confident90.5Very high114 Ų11459.1 Ų59.170%0.69930%0.298SS*.THydrogen-bonded Turntrans-123.1-11-172.7680000113.5R116R116-T119 PolarHBondContact O-N 2.64Å
120K86.7Confident89.3Confident9 Ų962.9 Ų62.94%0.03932%0.324CS..  trans-134.9114.9-176.6-177.6170.3-178166.70109.7C57 F62 T65 I67 N114 R116C57-K120 PolarHBondContact O-NZ 3.11Å; F62-K120 PolarHBondContact O-NZ 3.44Å; T65-K120 WeakPolarHBondContact O-CE 3.48Å; T65-K120 PolarHBondContact O-NZ 3.09Å; I67-K120 VanDerWaalsContact CD1-CE 3.43Å; I67-K120 VanDerWaalsContact CD1-NZ 3.33Å; N114-K120 PolarHBondContact ND2-O 3.37Å; R116-K120 HydrophobicContact CB-CB 4.19Å; R116-K120 WeakPolarHBondContact O-CB 3Å; R116-K120 PolarHBondContact O-N 2.81Å
121E83.9Confident88.2Confident122 Ų12266.3 Ų66.357%0.5734%0.342SS*.  trans-89141.3176-165.1170.1-160.300110.7Y123E121-Y123 HydrophobicContact CB-CE2 4.5Å; E121-Y123 VanDerWaalsContact CD-CE1 3.41Å; E121-Y123 HydrophobicContact CG-CD1 4.42Å; E121-Y123 HydrophobicContact CG-CE1 3.91Å; E121-Y123 VanDerWaalsContact OE2-CE1 3.26Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.21Å; E121-Y123 PolarHBondContact OE2-OH 2.84Å
122I91Very high86.8Confident22 Ų2268.5 Ų68.511%0.11336%0.36CS..EExtended strand (participates in β ladder)trans-110.1120.2169.6-64.6163000107.6F53 I67 L69 N114 T124F53-I122 HydrophobicContact CE1-CD1 3.93Å; F53-I122 HydrophobicContact CZ-CD1 3.62Å; F53-I122 HydrophobicContact CZ-CG1 4.27Å; F53-I122 HydrophobicContact CZ-CG2 4.38Å; I67-I122 HydrophobicContact CB-CG1 4.43Å; I67-I122 WeakPolarHBondContact O-CA 3.27Å; L69-I122 HydrophobicContact CB-CG2 3.66Å; L69-I122 HydrophobicContact CD2-CG2 4.32Å; N114-I122 HydrophobicContact CB-CD1 3.6Å; I122-T124 PolarHBondContact O-N 2.67Å
123Y90.4Very high85.5Confident36 Ų3672.2 Ų72.214%0.14137%0.372CS..EExtended strand (participates in β ladder)trans-88.897176.5-59-73.7000109.7I67 I68 L69 E121 V142 I146I67-Y123 PolarHBondContact O-N 3.41Å; I68-Y123 CarbonylContact C-O 3.57Å; I68-Y123 WeakPolarHBondContact CA-O 3.31Å; L69-Y123 PolarHBondContact N-O 2.87Å; E121-Y123 HydrophobicContact CB-CE2 4.5Å; E121-Y123 VanDerWaalsContact CD-CE1 3.41Å; E121-Y123 HydrophobicContact CG-CD1 4.42Å; E121-Y123 HydrophobicContact CG-CE1 3.91Å; E121-Y123 VanDerWaalsContact OE2-CE1 3.26Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.21Å; E121-Y123 PolarHBondContact OE2-OH 2.84Å; Y123-V142 HydrophobicContact CD2-CG1 3.9Å; Y123-V142 HydrophobicContact CG-CG1 3.91Å; Y123-I146 HydrophobicContact CD2-CD1 4.08Å; Y123-I146 HydrophobicContact CD2-CG1 4.31Å; Y123-I146 HydrophobicContact CE2-CD1 4.08Å; Y123-I146 HydrophobicContact CE2-CG1 3.83Å
124T92.8Very high84.1Confident22 Ų2273.1 Ų73.114%0.13538%0.377CS..EExtended strand (participates in β ladder)trans-89.3132-177.5-51.50000112.3L69 L71 Q107 E111 I122L69-T124 HydrophobicContact CB-CG2 4.41Å; L69-T124 HydrophobicContact CD2-CG2 4.01Å; L69-T124 HydrophobicContact CG-CG2 4.24Å; L69-T124 CarbonylContact O-C 3.37Å; L69-T124 WeakPolarHBondContact O-CA 3.43Å; L71-T124 HydrophobicContact CD1-CG2 3.64Å; L71-T124 HydrophobicContact CG-CG2 3.91Å; Q107-T124 HydrophobicContact CG-CG2 3.9Å; E111-T124 WeakPolarHBondContact OE1-CB 3.47Å; E111-T124 PolarHBondContact OE1-OG1 3.27Å; I122-T124 PolarHBondContact O-N 2.67Å
125H91.1Very high82.9Confident56 Ų5674.6 Ų74.626%0.25939%0.386SS..EExtended strand (participates in β ladder)trans-138.2134.8176.1-65.8-82.1000112.4L69 F70 L71 T127 V138 V142L69-H125 PolarHBondContact O-N 2.51Å; F70-H125 WeakPolarHBondContact CA-O 3.39Å; F70-H125 HydrophobicContact CD1-CB 4.13Å; F70-H125 HydrophobicContact CE1-CB 4.3Å; L71-H125 PolarHBondContact N-O 2.96Å; H125-T127 HydrophobicContact CB-CG2 4.3Å; H125-V138 HydrophobicContact CB-CG1 3.82Å; H125-V138 VanDerWaalsContact CD2-CG1 3.43Å; H125-V138 WeakPolarHBondContact CD2-CG1 3.45Å; H125-V142 VanDerWaalsContact NE2-CG2 3.31Å; H125-V142 WeakPolarHBondContact NE2-CG2 3.3Å
126F91.7Very high81.8Confident56 Ų5672.6 Ų72.625%0.24638%0.379CS..EExtended strand (participates in β ladder)trans-80117.8169.1-65.8-80.7000110L30 L71 K74 A103 Q107L30-F126 HydrophobicContact CD1-CD1 3.8Å; L30-F126 HydrophobicContact CD1-CE1 4.04Å; L71-F126 HydrophobicContact CB-CD1 3.78Å; L71-F126 HydrophobicContact CB-CE1 3.95Å; L71-F126 HydrophobicContact CD1-CD1 4.1Å; L71-F126 HydrophobicContact CD1-CE1 3.45Å; L71-F126 VanDerWaalsContact CD1-CE1 3.45Å; L71-F126 HydrophobicContact CD1-CZ 3.71Å; L71-F126 HydrophobicContact CG-CE1 4.35Å; L71-F126 WeakPolarHBondContact O-CA 3.13Å; K74-F126 HydrophobicContact CD-CB 4.06Å; A103-F126 HydrophobicContact CB-CD1 4.44Å; A103-F126 HydrophobicContact CB-CE1 3.64Å; A103-F126 HydrophobicContact CB-CZ 4Å; Q107-F126 HydrophobicContact CB-CZ 4.09Å
127T89.1Confident80.8Confident1 Ų177 Ų771%0.00640%0.4CS..  trans-122156.9-175.357.70000112F70 L71 N72 K73 K74 H125 V135F70-T127 HydrophobicContact CB-CG2 4.42Å; F70-T127 HydrophobicContact CD1-CG2 3.97Å; F70-T127 HydrophobicContact CD2-CG2 4.44Å; F70-T127 HydrophobicContact CE1-CG2 4.32Å; F70-T127 HydrophobicContact CG-CG2 4.03Å; L71-T127 PolarHBondContact O-N 2.8Å; N72-T127 CarbonylContact C-O 3.51Å; N72-T127 WeakPolarHBondContact CA-O 3.43Å; N72-T127 WeakPolarHBondContact CA-OG1 3.39Å; N72-T127 WeakPolarHBondContact CB-OG1 3.34Å; N72-T127 PolarHBondContact OD1-O 3.48Å; N72-T127 PolarHBondContact OD1-OG1 3.35Å; K73-T127 PolarHBondContact N-O 3.14Å; K74-T127 PolarHBondContact N-O 2.75Å; H125-T127 HydrophobicContact CB-CG2 4.3Å; T127-V135 HydrophobicContact CG2-CG2 4.43Å
128C85.6Confident80Confident13 Ų1372 Ų729%0.08838%0.38CS..  trans-126.7111.7163.6-176.90000106.3K74 D75 T130 D131K74-C128 HydrophobicContact CG-CB 4.33Å; D75-C128 PolarHBondContact OD1-SG 3.15Å; C128-T130 PolarHBondContact O-N 3.49Å; C128-T130 VanDerWaalsContact O-N 3.12Å; C128-T130 PolarHBondContact SG-OG1 3.01Å; C128-D131 HydrophobicContact CB-CB 4.27Å; C128-D131 CarbonylContact O-C 3.58Å; C128-D131 WeakPolarHBondContact O-CA 3.37Å; C128-D131 WeakPolarHBondContact O-CB 3.44Å; C128-D131 PolarHBondContact O-N 3.48Å
129A70.1Confident79.4Confident58 Ų5866.7 Ų66.748%0.47935%0.348SS..THydrogen-bonded Turntrans-63.5-18.6-173.800000114.2N72 D131N72-A129 PolarHBondContact OD1-N 3.49Å; A129-D131 VanDerWaalsContact C-N 3.28Å
130T73.9Confident79Confident122 Ų12265 Ų6575%0.74834%0.335SS*.THydrogen-bonded Turntrans-77.4-16.5171.456.30000112.4C128 T132C128-T130 PolarHBondContact O-N 3.49Å; C128-T130 VanDerWaalsContact O-N 3.12Å; C128-T130 PolarHBondContact SG-OG1 3.01Å; T130-T132 PolarHBondContact O-N 3.28Å
131D74.1Confident78.2Confident72 Ų7266.6 Ų66.639%0.38535%0.35SS..  trans-91.376.9168.6-170.4-8.3000110.2C128 A129 K133 N134 V135C128-D131 HydrophobicContact CB-CB 4.27Å; C128-D131 CarbonylContact O-C 3.58Å; C128-D131 WeakPolarHBondContact O-CA 3.37Å; C128-D131 WeakPolarHBondContact O-CB 3.44Å; C128-D131 PolarHBondContact O-N 3.48Å; A129-D131 VanDerWaalsContact C-N 3.28Å; D131-K133 PolarHBondContact O-N 2.99Å; D131-K133 PolarHBondContact OD1-N 2.87Å; D131-N134 HydrophobicContact CB-CB 4.18Å; D131-N134 PolarHBondContact O-N 3.46Å; D131-N134 PolarHBondContact OD1-N 3.49Å; D131-V135 PolarHBondContact O-N 3.41Å
132T67.1Low77.6Confident104 Ų10461.2 Ų61.264%0.63833%0.326SS*.Hα-helixtrans-60.4-25.2-17948.70000113.4T130 Q136T130-T132 PolarHBondContact O-N 3.28Å; T132-Q136 WeakPolarHBondContact O-CB 3.19Å; T132-Q136 PolarHBondContact O-N 2.56Å; T132-Q136 VanDerWaalsContact O-N 3.09Å
133K70Confident76.7Confident173 Ų17361.9 Ų61.975%0.75233%0.331SS*.Hα-helixtrans-71.8-41.7177.2-68-177.3-179.6178.80111.4D131 F137D131-K133 PolarHBondContact O-N 2.99Å; D131-K133 PolarHBondContact OD1-N 2.87Å; K133-F137 WeakPolarHBondContact O-CB 3.38Å; K133-F137 PolarHBondContact O-N 3.26Å
134N67.3Low76.1Confident57 Ų5764.4 Ų64.431%0.30535%0.346SS..Hα-helixtrans-64.1-47.5177.4-173.3-77.7000111.1D131 Q136 F137 V138D131-N134 HydrophobicContact CB-CB 4.18Å; D131-N134 PolarHBondContact O-N 3.46Å; D131-N134 PolarHBondContact OD1-N 3.49Å; N134-Q136 PolarHBondContact O-N 2.8Å; N134-F137 PolarHBondContact O-N 2.79Å; N134-V138 WeakPolarHBondContact O-CB 3.49Å; N134-V138 VanDerWaalsContact O-CG2 3.3Å; N134-V138 WeakPolarHBondContact O-CG2 3Å; N134-V138 PolarHBondContact O-N 2.72Å
135V69.8Low75Confident40 Ų4066.5 Ų66.524%0.24236%0.359CS..Hα-helixtrans-62.7-43.7-1801790000111.2F70 T127 D131 V138 F139F70-V135 HydrophobicContact CE2-CG1 4.14Å; T127-V135 HydrophobicContact CG2-CG2 4.43Å; D131-V135 PolarHBondContact O-N 3.41Å; V135-V138 PolarHBondContact O-N 3.33Å; V135-F139 WeakPolarHBondContact O-CB 3.42Å; V135-F139 PolarHBondContact O-N 2.81Å
136Q73.1Confident74.2Confident105 Ų10564 Ų6449%0.49135%0.348SS..Hα-helixtrans-63.4-45.2178.9-167.66752.400111.6T132 N134 F139 D140T132-Q136 WeakPolarHBondContact O-CB 3.19Å; T132-Q136 PolarHBondContact O-N 2.56Å; T132-Q136 VanDerWaalsContact O-N 3.09Å; N134-Q136 PolarHBondContact O-N 2.8Å; Q136-F139 PolarHBondContact O-N 3.26Å; Q136-D140 PolarHBondContact NE2-OD1 3.06Å; Q136-D140 WeakPolarHBondContact O-CB 3.28Å; Q136-D140 PolarHBondContact O-N 3.29Å
137F70.8Confident73.3Confident153 Ų15364.8 Ų64.867%0.67135%0.354SS*.Hα-helixtrans-62.3-45.9178.5177.2-96.1000112.4K133 N134 F139 D140 A141K133-F137 WeakPolarHBondContact O-CB 3.38Å; K133-F137 PolarHBondContact O-N 3.26Å; N134-F137 PolarHBondContact O-N 2.79Å; F137-F139 VanDerWaalsContact C-N 3.31Å; F137-F139 PolarHBondContact O-N 3.48Å; F137-D140 PolarHBondContact O-N 3.17Å; F137-A141 VanDerWaalsContact O-CB 3.32Å; F137-A141 WeakPolarHBondContact O-CB 3.08Å; F137-A141 PolarHBondContact O-N 3.28Å
138V70Confident72.4Confident13 Ų1370.4 Ų70.48%0.07938%0.378CS..Hα-helixtrans-61.7-44.4176.4169.80000110.2F70 H125 N134 V135 A141 V142F70-V138 HydrophobicContact CE1-CG1 3.61Å; F70-V138 HydrophobicContact CZ-CG1 4.07Å; H125-V138 HydrophobicContact CB-CG1 3.82Å; H125-V138 VanDerWaalsContact CD2-CG1 3.43Å; H125-V138 WeakPolarHBondContact CD2-CG1 3.45Å; N134-V138 WeakPolarHBondContact O-CB 3.49Å; N134-V138 VanDerWaalsContact O-CG2 3.3Å; N134-V138 WeakPolarHBondContact O-CG2 3Å; N134-V138 PolarHBondContact O-N 2.72Å; V135-V138 PolarHBondContact O-N 3.33Å; V138-A141 PolarHBondContact O-N 2.97Å; V138-V142 HydrophobicContact CG1-CG2 4.31Å; V138-V142 WeakPolarHBondContact O-CB 3.34Å; V138-V142 WeakPolarHBondContact O-CG2 3.47Å; V138-V142 PolarHBondContact O-N 3.22Å
139F72.8Confident71.6Confident52 Ų5273.1 Ų73.123%0.22839%0.392CS..Hα-helixtrans-61.4-47.9179.6-175-101.5000111.8M1 I25 V135 Q136 F137 T143M1-F139 HydrophobicContact CE-CD2 4.27Å; M1-F139 HydrophobicContact CE-CE1 4.12Å; M1-F139 HydrophobicContact CE-CE2 3.59Å; M1-F139 HydrophobicContact CE-CZ 3.47Å; M1-F139 VanDerWaalsContact CE-CZ 3.47Å; I25-F139 HydrophobicContact CD1-CD2 3.78Å; I25-F139 HydrophobicContact CD1-CE2 3.36Å; I25-F139 HydrophobicContact CD1-CZ 4.44Å; I25-F139 HydrophobicContact CG1-CE2 4.3Å; V135-F139 WeakPolarHBondContact O-CB 3.42Å; V135-F139 PolarHBondContact O-N 2.81Å; Q136-F139 PolarHBondContact O-N 3.26Å; F137-F139 VanDerWaalsContact C-N 3.31Å; F137-F139 PolarHBondContact O-N 3.48Å; F139-T143 WeakPolarHBondContact O-CB 3.35Å; F139-T143 PolarHBondContact O-N 3.45Å; F139-T143 PolarHBondContact O-OG1 2.9Å
140D77.8Confident71.6Confident79 Ų7972.8 Ų72.842%0.42238%0.382SS..Hα-helixtrans-64.8-44.8-179.2-64.6-14.7000110.9Q136 F137 V142 T143 D144Q136-D140 PolarHBondContact NE2-OD1 3.06Å; Q136-D140 WeakPolarHBondContact O-CB 3.28Å; Q136-D140 PolarHBondContact O-N 3.29Å; F137-D140 PolarHBondContact O-N 3.17Å; D140-V142 PolarHBondContact O-N 2.93Å; D140-T143 PolarHBondContact O-N 3.49Å; D140-D144 WeakPolarHBondContact O-CB 3.41Å; D140-D144 PolarHBondContact O-N 3.26Å
141A70.7Confident71.3Confident43 Ų4369.9 Ų69.936%0.35536%0.361SS..Hα-helixtrans-62.3-45.1179.300000112.6F137 V138 V145F137-A141 VanDerWaalsContact O-CB 3.32Å; F137-A141 WeakPolarHBondContact O-CB 3.08Å; F137-A141 PolarHBondContact O-N 3.28Å; V138-A141 PolarHBondContact O-N 2.97Å; A141-V145 WeakPolarHBondContact O-CG2 3.22Å; A141-V145 PolarHBondContact O-N 2.89Å
142V71.3Confident71Confident9 Ų972.5 Ų72.56%0.05537%0.369CS..Hα-helixtrans-74.5-38.2-178.3-178.40000110.9I68 Y123 H125 V138 D140 D144 V145 I146I68-V142 HydrophobicContact CB-CG1 4.48Å; I68-V142 HydrophobicContact CD1-CB 3.96Å; I68-V142 HydrophobicContact CD1-CG1 3.35Å; I68-V142 HydrophobicContact CG1-CG1 3.54Å; I68-V142 HydrophobicContact CG2-CG1 4.24Å; Y123-V142 HydrophobicContact CD2-CG1 3.9Å; Y123-V142 HydrophobicContact CG-CG1 3.91Å; H125-V142 VanDerWaalsContact NE2-CG2 3.31Å; H125-V142 WeakPolarHBondContact NE2-CG2 3.3Å; V138-V142 HydrophobicContact CG1-CG2 4.31Å; V138-V142 WeakPolarHBondContact O-CB 3.34Å; V138-V142 WeakPolarHBondContact O-CG2 3.47Å; V138-V142 PolarHBondContact O-N 3.22Å; D140-V142 PolarHBondContact O-N 2.93Å; V142-D144 VanDerWaalsContact C-N 3.31Å; V142-D144 PolarHBondContact O-N 3.44Å; V142-V145 PolarHBondContact O-N 3.3Å; V142-I146 HydrophobicContact CG1-CD1 3.57Å; V142-I146 HydrophobicContact CG1-CG1 4.19Å; V142-I146 WeakPolarHBondContact O-CB 3.4Å; V142-I146 VanDerWaalsContact O-CG1 3.28Å; V142-I146 WeakPolarHBondContact O-CG1 3.38Å; V142-I146 PolarHBondContact O-N 3.45Å
143T71.9Confident70.9Confident36 Ų3674 Ų7422%0.22137%0.373CS..Hα-helixtrans-60.8-43174.9-60.80000110.8F139 D140 V145 I146 I147F139-T143 WeakPolarHBondContact O-CB 3.35Å; F139-T143 PolarHBondContact O-N 3.45Å; F139-T143 PolarHBondContact O-OG1 2.9Å; D140-T143 PolarHBondContact O-N 3.49Å; T143-V145 PolarHBondContact O-N 3.09Å; T143-I146 PolarHBondContact O-N 3.48Å; T143-I147 HydrophobicContact CG2-CD1 3.44Å; T143-I147 VanDerWaalsContact CG2-CD1 3.44Å; T143-I147 HydrophobicContact CG2-CG1 4.09Å; T143-I147 VanDerWaalsContact O-CB 3.27Å; T143-I147 WeakPolarHBondContact O-CB 3.32Å; T143-I147 WeakPolarHBondContact O-CG1 3.38Å; T143-I147 PolarHBondContact O-N 2.85Å
144D76.4Confident70.8Confident88 Ų8870.2 Ų70.247%0.47137%0.368SS..Hα-helixtrans-60.3-43.8176.1-102.324.3000112.8D140 V142 K148D140-D144 WeakPolarHBondContact O-CB 3.41Å; D140-D144 PolarHBondContact O-N 3.26Å; V142-D144 VanDerWaalsContact C-N 3.31Å; V142-D144 PolarHBondContact O-N 3.44Å; D144-K148 VanDerWaalsContact O-CB 3.25Å; D144-K148 WeakPolarHBondContact O-CB 3.3Å; D144-K148 WeakPolarHBondContact O-CD 3.32Å; D144-K148 WeakPolarHBondContact O-CG 3.47Å; D144-K148 PolarHBondContact O-N 2.91Å; D144-K148 IonicContact OD2-NZ 3.78Å; D144-K148 PolarHBondContact OD2-NZ 3.35Å
145V71.3Confident70.4Confident66 Ų6670.5 Ų70.540%0.438%0.384SS..Hα-helixtrans-65.5-47.7178.7171.20000110.7A141 V142 T143 K148 N149A141-V145 WeakPolarHBondContact O-CG2 3.22Å; A141-V145 PolarHBondContact O-N 2.89Å; V142-V145 PolarHBondContact O-N 3.3Å; T143-V145 PolarHBondContact O-N 3.09Å; V145-K148 PolarHBondContact O-N 2.97Å; V145-N149 WeakPolarHBondContact O-CB 3.42Å; V145-N149 PolarHBondContact O-N 3.07Å
146I74.3Confident70.3Confident3 Ų374.5 Ų74.52%0.01540%0.404CS..Hα-helixtrans-65.2-43.7-179.2-67.2169.9000110.8T22 A23 I68 Y123 V142 T143 N149 N150T22-I146 HydrophobicContact CG2-CG2 4.14Å; A23-I146 HydrophobicContact CB-CD1 3.92Å; A23-I146 HydrophobicContact CB-CG2 4.27Å; I68-I146 HydrophobicContact CD1-CD1 3.91Å; I68-I146 HydrophobicContact CG1-CD1 3.89Å; Y123-I146 HydrophobicContact CD2-CD1 4.08Å; Y123-I146 HydrophobicContact CD2-CG1 4.31Å; Y123-I146 HydrophobicContact CE2-CD1 4.08Å; Y123-I146 HydrophobicContact CE2-CG1 3.83Å; V142-I146 HydrophobicContact CG1-CD1 3.57Å; V142-I146 HydrophobicContact CG1-CG1 4.19Å; V142-I146 WeakPolarHBondContact O-CB 3.4Å; V142-I146 VanDerWaalsContact O-CG1 3.28Å; V142-I146 WeakPolarHBondContact O-CG1 3.38Å; V142-I146 PolarHBondContact O-N 3.45Å; T143-I146 PolarHBondContact O-N 3.48Å; I146-N149 PolarHBondContact O-N 2.94Å; I146-N150 VanDerWaalsContact CG2-ND2 3.27Å; I146-N150 WeakPolarHBondContact CG2-ND2 3.36Å; I146-N150 WeakPolarHBondContact O-CB 3.27Å; I146-N150 PolarHBondContact O-N 3.07Å; I146-N150 PolarHBondContact O-ND2 3.45Å
147I71.5Confident69.1Low74 Ų7479.7 Ų79.738%0.37943%0.425SS..Hα-helixtrans-64.2-44.7177.6-70.5175.7000110.2T143 N149 N150 L151T143-I147 HydrophobicContact CG2-CD1 3.44Å; T143-I147 VanDerWaalsContact CG2-CD1 3.44Å; T143-I147 HydrophobicContact CG2-CG1 4.09Å; T143-I147 VanDerWaalsContact O-CB 3.27Å; T143-I147 WeakPolarHBondContact O-CB 3.32Å; T143-I147 WeakPolarHBondContact O-CG1 3.38Å; T143-I147 PolarHBondContact O-N 2.85Å; I147-N149 VanDerWaalsContact C-N 3.33Å; I147-N149 PolarHBondContact O-N 2.9Å; I147-N150 PolarHBondContact O-N 3.3Å; I147-L151 HydrophobicContact CG2-CD1 3.68Å; I147-L151 HydrophobicContact CG2-CG 4.17Å; I147-L151 WeakPolarHBondContact O-CB 3.4Å; I147-L151 VanDerWaalsContact O-CG 3.23Å; I147-L151 WeakPolarHBondContact O-CG 3.38Å; I147-L151 PolarHBondContact O-N 2.93Å
148K69.9Low69Low119 Ų11976.1 Ų76.152%0.51741%0.413SS..Hα-helixtrans-61.8-40.4177.9-77.6169.2-175.9157.30112.3D144 V145 L151 K152D144-K148 VanDerWaalsContact O-CB 3.25Å; D144-K148 WeakPolarHBondContact O-CB 3.3Å; D144-K148 WeakPolarHBondContact O-CD 3.32Å; D144-K148 WeakPolarHBondContact O-CG 3.47Å; D144-K148 PolarHBondContact O-N 2.91Å; D144-K148 IonicContact OD2-NZ 3.78Å; D144-K148 PolarHBondContact OD2-NZ 3.35Å; V145-K148 PolarHBondContact O-N 2.97Å; K148-L151 PolarHBondContact O-N 3.42Å; K148-K152 WeakPolarHBondContact O-CG 3.33Å; K148-K152 PolarHBondContact O-N 3.11Å; K148-K152 VanDerWaalsContact O-N 3.09Å
149N70.5Confident68.9Low70 Ų7079.4 Ų79.437%0.37443%0.43SS..Hα-helixtrans-67.3-46.2177.2-73.6-12.8000111.3V145 I146 I147 L151 K152 D153V145-N149 WeakPolarHBondContact O-CB 3.42Å; V145-N149 PolarHBondContact O-N 3.07Å; I146-N149 PolarHBondContact O-N 2.94Å; I147-N149 VanDerWaalsContact C-N 3.33Å; I147-N149 PolarHBondContact O-N 2.9Å; N149-L151 VanDerWaalsContact C-N 3.3Å; N149-L151 PolarHBondContact O-N 3.16Å; N149-K152 WeakPolarHBondContact O-CB 3.44Å; N149-K152 PolarHBondContact O-N 2.94Å; N149-K152 VanDerWaalsContact O-N 3.15Å; N149-D153 PolarHBondContact O-N 3.07Å
150N68.6Low68.7Low51 Ų5180.9 Ų80.927%0.27344%0.442SS..Hα-helixtrans-61.6-35.9175.7-76.7-53.7000113T22 I146 I147 D153 C154T22-N150 WeakPolarHBondContact CG2-ND2 3.21Å; I146-N150 VanDerWaalsContact CG2-ND2 3.27Å; I146-N150 WeakPolarHBondContact CG2-ND2 3.36Å; I146-N150 WeakPolarHBondContact O-CB 3.27Å; I146-N150 PolarHBondContact O-N 3.07Å; I146-N150 PolarHBondContact O-ND2 3.45Å; I147-N150 PolarHBondContact O-N 3.3Å; N150-D153 PolarHBondContact O-N 3.12Å; N150-C154 PolarHBondContact O-N 3.32Å; N150-C154 VanDerWaalsContact O-N 3.14Å; N150-C154 PolarHBondContact O-SG 3.19Å
151L67.6Low68.2Low60 Ų6081 Ų8131%0.31444%0.443SS..Hα-helixtrans-68.3-36.2176.1-75.3171.1000112.3I147 K148 N149 C154 G155 L156 F157I147-L151 HydrophobicContact CG2-CD1 3.68Å; I147-L151 HydrophobicContact CG2-CG 4.17Å; I147-L151 WeakPolarHBondContact O-CB 3.4Å; I147-L151 VanDerWaalsContact O-CG 3.23Å; I147-L151 WeakPolarHBondContact O-CG 3.38Å; I147-L151 PolarHBondContact O-N 2.93Å; K148-L151 PolarHBondContact O-N 3.42Å; N149-L151 VanDerWaalsContact C-N 3.3Å; N149-L151 PolarHBondContact O-N 3.16Å; L151-C154 PolarHBondContact O-N 3.23Å; L151-G155 PolarHBondContact O-N 2.84Å; L151-L156 HydrophobicContact CD2-CB 4.44Å; L151-L156 HydrophobicContact CD2-CD1 3.9Å; L151-L156 PolarHBondContact O-N 3.45Å; L151-L156 VanDerWaalsContact O-N 3.13Å; L151-F157 HydrophobicContact CB-CD2 4.26Å; L151-F157 HydrophobicContact CD1-CE2 4.36Å
152K67.4Low68Low127 Ų12783.4 Ų83.455%0.55245%0.448SS*.Hα-helixtrans-65.2-43.3172.3-75.5176.3178.7178.10111.7K148 N149 C154 G155 F157K148-K152 WeakPolarHBondContact O-CG 3.33Å; K148-K152 PolarHBondContact O-N 3.11Å; K148-K152 VanDerWaalsContact O-N 3.09Å; N149-K152 WeakPolarHBondContact O-CB 3.44Å; N149-K152 PolarHBondContact O-N 2.94Å; N149-K152 VanDerWaalsContact O-N 3.15Å; K152-C154 PolarHBondContact O-N 3.41Å; K152-G155 PolarHBondContact O-N 2.69Å; K152-F157 HydrophobicContact CG-CB 4.32Å
153D66.8Low67.8Low135 Ų13588.3 Ų88.372%0.72247%0.474SS*.Hα-helixtrans-64.6-27.1178.9-67.7-21000112.3N149 N150 G155N149-D153 PolarHBondContact O-N 3.07Å; N150-D153 PolarHBondContact O-N 3.12Å; D153-G155 VanDerWaalsContact C-N 3.31Å
154C67.9Low67.5Low95 Ų9592.1 Ų92.164%0.64249%0.493SS*.THydrogen-bonded Turntrans-81.6-1.1172.2-64.40000114.5N150 L151 K152 L156N150-C154 PolarHBondContact O-N 3.32Å; N150-C154 VanDerWaalsContact O-N 3.14Å; N150-C154 PolarHBondContact O-SG 3.19Å; L151-C154 PolarHBondContact O-N 3.23Å; K152-C154 PolarHBondContact O-N 3.41Å; C154-L156 VanDerWaalsContact C-N 3.29Å; C154-L156 HydrophobicContact CB-CD1 4.01Å; C154-L156 HydrophobicContact CB-CG 4.47Å; C154-L156 PolarHBondContact O-N 3.18Å
155G59.1Low66.9Low63 Ų6392.4 Ų92.465%0.64949%0.494SS*.THydrogen-bonded Turntrans68.922.5-17900000114.7L151 K152 D153 F157L151-G155 PolarHBondContact O-N 2.84Å; K152-G155 PolarHBondContact O-N 2.69Å; D153-G155 VanDerWaalsContact C-N 3.31Å; G155-F157 VanDerWaalsContact C-N 3.29Å
156L66.7Low66.5Low123 Ų12394.6 Ų94.664%0.64450%0.502SS*.  trans-87.12.9178.4-77157.6000113.2L151 C154L151-L156 HydrophobicContact CD2-CB 4.44Å; L151-L156 HydrophobicContact CD2-CD1 3.9Å; L151-L156 PolarHBondContact O-N 3.45Å; L151-L156 VanDerWaalsContact O-N 3.13Å; C154-L156 VanDerWaalsContact C-N 3.29Å; C154-L156 HydrophobicContact CB-CD1 4.01Å; C154-L156 HydrophobicContact CB-CG 4.47Å; C154-L156 PolarHBondContact O-N 3.18Å
157F47.6Very low65.8Low215 Ų215102.9 Ų102.994%0.94355%0.546SS*.  trans-142.50174.1-87.5-83000111.4L151 K152 G155L151-F157 HydrophobicContact CB-CD2 4.26Å; L151-F157 HydrophobicContact CD1-CE2 4.36Å; K152-F157 HydrophobicContact CG-CB 4.32Å; G155-F157 VanDerWaalsContact C-N 3.29Å

Retrieved 157 of 157 residues in 251.3 ms (Link to these results)

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